diff --git a/.github/setup.sh b/.github/setup.sh
new file mode 100644
index 00000000..4677cd8d
--- /dev/null
+++ b/.github/setup.sh
@@ -0,0 +1,28 @@
+#!/bin/bash
+
+RUNNER_OS=$1
+env=$2
+
+# Set up Clustal Omega and MAFFT
+export HOME_DIR=$PWD
+if [ "$RUNNER_OS" = "macOS" ]; then
+wget http://www.clustal.org/omega/clustal-omega-1.2.3-macosx -O clustalo && chmod +x clustalo
+brew install mafft && unset MAFFT_BINARIES
+echo "$HOME_DIR" >> $GITHUB_PATH # make clustalo available in the next steps
+elif [ "$RUNNER_OS" = "Linux" ]; then
+wget http://www.clustal.org/omega/clustalo-1.2.4-Ubuntu-x86_64 -O clustalo && chmod +x clustalo
+wget https://mafft.cbrc.jp/alignment/software/mafft-7.520-linux.tgz -O mafft.tgz && tar -xzvf mafft.tgz && chmod +x mafft-linux64/mafftdir/bin/mafft
+echo "MAFFT_BINARIES=$PWD/mafft-linux64/mafftdir/libexec/" >> $GITHUB_ENV
+echo "$HOME_DIR/mafft-linux64/mafftdir/bin/" >> $GITHUB_PATH
+echo "$HOME_DIR" >> $GITHUB_PATH # make clustalo available in the next steps
+elif [ "$RUNNER_OS" = "Windows" ]; then
+choco install clustal-omega mafft
+echo "::add-path::$env:ProgramFiles\Clustal Omega"
+echo "::add-path::$env:ProgramFiles\MAFFT"
+fi
+
+# Set up Python environment
+python -m pip install --upgrade pip
+python -m pip install ".[full]"  --upgrade --upgrade-strategy eager
+python -m pip install pytest
+python -m pip install jupyterlab
\ No newline at end of file
diff --git a/.github/workflows/dev_ci.yml b/.github/workflows/dev_ci.yml
new file mode 100644
index 00000000..d5722afc
--- /dev/null
+++ b/.github/workflows/dev_ci.yml
@@ -0,0 +1,70 @@
+name: Multi-OS Complete Test
+
+on:
+  push:
+    branches:
+      - dev
+      - main
+  pull_request:
+    branches:
+      - dev
+      - main
+
+env:
+  QSPPRED_TEST_EXTRAS: true
+  QSPRPRED_VERBOSE_LOGGING: true
+
+jobs:
+  tests-all:
+    runs-on: ${{ matrix.os }}
+    timeout-minutes: 120
+    strategy:
+      matrix:
+        os: [ ubuntu-latest ] # FIXME: add macos-latest and windows-latest (removed for now due to limited debugging options)
+        python-version: [ '3.10' ]
+      fail-fast: false
+    defaults:
+      run:
+        shell: bash
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Set Up Dependencies
+        run: |
+          python -m pip cache purge
+          source .github/setup.sh ${{ runner.os }} $env
+
+      - name: Check Environment Info
+        run: |
+          echo "Clustal Omega version: $(clustalo --version)"
+          echo "MAFFT version: $(mafft --version)"
+          python -m pip freeze
+          python -c "print('Python version: ' + '$(python --version)')"
+          python -c "import platform; print('System info: ', platform.system(), platform.release())"
+          python -c "import qsprpred; print('QSPRpred version:', qsprpred.__version__)"
+
+      - name: Run pytest
+        run: cd testing/test_pytest && ./run.sh
+
+      - name: Publish Test Report
+        uses: mikepenz/action-junit-report@v4
+        if: success() || failure() # always run even if the previous step fails
+        with:
+          report_paths: 'testing/test_pytest/test_report.xml'
+
+      - name: Test CLI
+        run: cd testing/test_cli && ./run.sh
+
+      - name: Test Consistency
+        run: cd testing/test_consistency && ./run.sh
+
+      - name: Test Tutorials
+        run: cd testing/test_tutorial && ./run.sh
\ No newline at end of file
diff --git a/.github/workflows/docs_ci.yml b/.github/workflows/docs_ci.yml
new file mode 100644
index 00000000..94ee3c99
--- /dev/null
+++ b/.github/workflows/docs_ci.yml
@@ -0,0 +1,46 @@
+name: Build and Deploy Documentation
+
+on:
+  push:
+    branches:
+      - dev
+      - main
+
+env:
+  CI_COMMIT_AUTHOR: ${{ github.event.head_commit.author.name }}
+  CI_COMMIT_EMAIL: ${{ github.event.head_commit.author.email }}
+
+jobs:
+  docs-build-and-deploy:
+    runs-on: ubuntu-latest
+    timeout-minutes: 60
+    defaults:
+      run:
+        shell: bash
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.10'
+
+      - name: Cache Python Environment
+        uses: actions/cache@v3
+        with:
+          path: ${{ env.pythonLocation }}
+          key: ${{ runner.os }}-${{ env.pythonLocation }}-${{ hashFiles('**/pyproject.toml') }}
+
+      - name: Set Up Dependencies
+        run: |
+          source .github/setup.sh ${{ runner.os }} $env
+          python -m pip install -r docs/requirements.txt
+
+      - name: Build and Deploy Documentation
+        run: |
+          git config --global user.name "${{ env.CI_COMMIT_AUTHOR }}"
+          git config --global user.email "${{ env.CI_COMMIT_EMAIL }}"
+          cd docs && ./make.sh && REPO_URL=https://${{ github.actor }}:${{ github.token }}@github.com/${{ github.repository }}.git ./upload.sh
diff --git a/.github/workflows/pre_merge_ci.yml b/.github/workflows/pre_merge_ci.yml
new file mode 100644
index 00000000..bbb13082
--- /dev/null
+++ b/.github/workflows/pre_merge_ci.yml
@@ -0,0 +1,67 @@
+name: Python3.10 CI with Basic Tests
+
+on:
+  push:
+    branches:
+      - '**' # all branches
+      - '!dev' # except dev
+      - '!main' # except main
+      - '!gh_pages' # except gh_pages
+
+env:
+  QSPPRED_TEST_EXTRAS: false
+  QSPRPRED_VERBOSE_LOGGING: true
+
+jobs:
+  tests-basic:
+    runs-on: ubuntu-latest
+    timeout-minutes: 120
+    defaults:
+      run:
+        shell: bash
+    
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.10'
+
+      - name: Cache Python Environment
+        uses: actions/cache@v3
+        with:
+          path: ${{ env.pythonLocation }}
+          key: ${{ runner.os }}-${{ env.pythonLocation }}-${{ hashFiles('**/pyproject.toml') }}
+      #          restore-keys: |
+      #            ${{ runner.os }}-pip-
+
+      - name: Set Up Dependencies
+        run: |
+          source .github/setup.sh ${{ runner.os }} $env
+
+      - name: Check Environment Info
+        run: |
+          echo "Clustal Omega version: $(clustalo --version)"
+          echo "MAFFT version: $(mafft --version)"
+          python -m pip freeze
+          python -c "print('Python version: ' + '$(python --version)')"
+          python -c "import platform; print('System info: ', platform.system(), platform.release())"
+          python -c "import qsprpred; print('QSPRpred version:', qsprpred.__version__)"
+
+      - name: Run pytest
+        run: cd testing/test_pytest && ./run.sh
+
+      - name: Publish Test Report
+        uses: mikepenz/action-junit-report@v4
+        if: success() || failure() # always run even if the previous step fails
+        with:
+          report_paths: 'testing/test_pytest/test_report.xml'
+
+      - name: Test CLI
+        run: cd testing/test_cli && ./run.sh
+
+      - name: Test Consistency
+        run: cd testing/test_consistency && ./run.sh
\ No newline at end of file
diff --git a/.gitignore b/.gitignore
index 98df09df..85514872 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,5 +1,6 @@
 ### QSPRpred Specific
 /.*
+!.github
 !.gitignore
 !.gitlab-ci.yml
 !.pre-commit-config.yaml
@@ -11,9 +12,13 @@
 *.gzip
 *.tar.gz
 *.out
-/**/test_files/generated/
 /**/tutorial/test_files/
 /**/tutorial/cli_tutorial/
+/**/tutorials/tutorial_data/papyrus/
+/**/tutorials/tutorial_data/A2A_LIGANDS.tsv
+/**/tutorials/tutorial_data/AR_LIGANDS.tsv
+/**/tutorials/tutorial_data/AR_LIGANDS_pivot.tsv
+/**/tutorials/tutorial_output
 
 ### Python template
 # Byte-compiled / optimized / DLL files
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 899927c4..902745e3 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -1,33 +1,31 @@
 # This workflow will install Python dependencies, run tests, and write documentation
 
 variables:
-   GIT_STRATEGY: clone # clone entire repo instead of reusing workspace
-   GIT_DEPTH: "0" # avoid shallow clone to give sonar all the info it needs
+  GIT_STRATEGY: clone # clone entire repo instead of reusing workspace
+  GIT_DEPTH: "0" # avoid shallow clone to give sonar all the info it needs
 
 stages:
-   - test
-   - deploy
+  - test
+  - deploy
 
 # Install python dependencies and run python tests with pytest and the CLI test script
 .test:
-   stage: test
-   before_script:
-      - python --version  # For debugging python version
-      - wget http://www.clustal.org/omega/clustalo-1.2.4-Ubuntu-x86_64 -O clustalo && chmod +x clustalo
-      - wget https://mafft.cbrc.jp/alignment/software/mafft-7.520-linux.tgz -O mafft.tgz && tar -xzvf mafft.tgz && chmod +x mafft-linux64/mafftdir/bin/mafft
-      - export PATH=$PATH:$PWD/mafft-linux64/mafftdir/bin/:$PWD
-      - export MAFFT_BINARIES=$PWD/mafft-linux64/mafftdir/libexec/
-      - clustalo --version  # For debugging clustalo version
-      - mafft --version  # For debugging mafft version
-      - python -m pip install ".[full]" --no-cache-dir
-      - python -c "import qsprpred; print(qsprpred.__version__)" # For debugging package version
-      - python -m pip install pytest
-      - python -m pip install jupyterlab
-      - python -m pip freeze # For debugging environment
-   script:
-      - pytest qsprpred
-      - cd clitest && ./run.sh
-      - cd ../tutorial && ./run_all.sh
+  stage: test
+  before_script:
+    - python --version  # For debugging python version
+    - wget http://www.clustal.org/omega/clustalo-1.2.4-Ubuntu-x86_64 -O clustalo && chmod +x clustalo
+    - wget https://mafft.cbrc.jp/alignment/software/mafft-7.520-linux.tgz -O mafft.tgz && tar -xzvf mafft.tgz && chmod +x mafft-linux64/mafftdir/bin/mafft
+    - export PATH=$PATH:$PWD/mafft-linux64/mafftdir/bin/:$PWD
+    - export MAFFT_BINARIES=$PWD/mafft-linux64/mafftdir/libexec/
+    - clustalo --version  # For debugging clustalo version
+    - mafft --version  # For debugging mafft version
+    - pip install ".[full]" --no-cache-dir
+    - python -c "import qsprpred; print(qsprpred.__version__)" # For debugging package version
+    - pip install pytest
+    - pip install jupyterlab
+    - pip freeze # For debugging environment
+  script:
+    - cd testing && QSPPRED_TEST_SPLIT_UNITS=true QSPRPRED_VERBOSE_LOGGING=true ./run.sh
 
 # # Run tests on Python version 11 (linux image)
 # test:python3.11:
@@ -36,21 +34,5 @@ stages:
 
 # Run tests on Python version 10 (linux image)
 test:python3.10:
-   extends: .test
-   image: python:3.10
-
-# Write documentation on main branch
-pages:
-   stage: deploy
-   image: python:3.10
-   before_script:
-      - python -m pip install -U sphinx
-      - python -m pip install sphinx-rtd-theme
-   script:
-      - mkdir public
-      - sphinx-build -b html ./docs public
-   artifacts:
-      paths:
-      - public
-   only:
-      - main
+  extends: .test
+  image: python:3.10
\ No newline at end of file
diff --git a/CHANGELOG.md b/CHANGELOG.md
index 99d37936..0e50367f 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -1,17 +1,146 @@
 # Change Log
 
-From v2.1.0 to v2.1.1
+From v2.1.1 to v3.0.0
 
 ## Fixes
 
-- ⚠️ Important! ⚠️ Fixed bug in `predictMols` where the `feature_standardizer` was 
-  not being applied to the calculated features. This bug was introduced in v2.1.0.
-  Models trained with v2.1.0 are compatible with v2.1.1, make sure to update 
-  QSPRpred to v2.1.1 to ensure that the `feature_standardizer` is applied when
-  predicting on new molecules.
+- Fixed random seeds to give reproducible results. Each dataset is initialized with a
+  single random state (either from the constructor or a random number generator) which
+  is used in all subsequent random operations. Each model is initialized with a single
+  random state as well: it uses the random state from the dataset, unless it's overriden
+  in the constructor. When a dataset is saved to a file so is its random state, which is
+  used by the dataset when the dataset is reloaded.
+- fixed error with serialization of the `DNNModel.params` attribute, when no parameters
+  are set.
+- Fix bug with saving predictions from classification model
+  when `ModelAssessor.useProba` set to `False`.
+- Add missing implementation of `QSPRDataset.removeProperty`
+- Improved behavior of the Papyrus data source (does not attempt to connect to the
+  internet if the data set already exists).
+- It is now possible to define new descriptor sets outside the package without errors.
+- Basic consistency of models is also checked in the unit test suite, including in
+  the `qsprpred.extra` package.
+- Fixed a problem with feature standardizer being retrained on prediction data when a
+  prediction from SMILES was invoked. This affected all versions of the package higher
+  or equal to `v2.1.0`.
+- Fixes to the  `fromMolTable` method in various data set implementations, in particular
+  in copying of the feature standardizer and other settings.
+- Fixed not working `cluster` split and `--imputation` from `data_CLI.py`.
+- Fixed a problem with `ProteinDescriptorSet.getDescriptors` returning descriptors in
+  wrong order with `Pandas <v2.2.0`. 
 
 ## Changes
 
+- The model is now independent of data sets. This means that the model no longer
+  contains a reference to the data set it was trained on.
+    - The `fitAttached` method was replaced with `fitDataset`, which takes the data set
+      as
+      an argument.
+    - Assessors now also accept a data set as a second argument. Therefore, the same
+      assessor
+      can be used to assess different data sets with the same model settings.
+    - The monitoring API was also slightly modified to reflect this change.
+    - If a model requires initialization of some settings from data, this can be done in
+      its `initFromDataset` method, which takes the data set as an argument. This method
+      is called automatically before fitting, model assessment, and hyperparameter
+      optimization.
+- The whole package was refactored to simplify certain commonly used imports. The
+  tutorial code was adjusted to reflect that.
+- The jupyter notebooks in the tutorial now pass a random state to ensure consistent
+  results.
+- The default parameter values for `STFullyConnected` have changed from `n_epochs` =
+  1000 to `n_epochs` = 100, from `neurons_h1` = 4000 to `neurons_h1` = 256
+  and `neurons_hx` = 1000 to `neurons_hx` = 128.
+- Rename `HyperParameterOptimization` to `HyperparameterOptimization`.
+- `TargetProperty.fromList` and `TargetProperty.fromDict` now accept a both a string and
+  a `TargetTask` as the `task` argument,
+  without having to set the `task_from_str` argument, which is now deprecated.
+- Make `EarlyStopping.mode` flexible for `QSPRModel.fitDataset`.
+- `save_params` argument added to `OptunaOptimization` to save the best hyperparameters
+  to the model (default: `True`).
+- We now use `jsonpickle` for object serialization, which is more flexible than the
+  non-standard approach before, but it also means previous models will not be compatible
+  with this version.
+- `SklearnMetric` was renamed to `SklearnMetrics`, it now also accepts an scikit-learn
+  scorer name as input.
+- `QSPRModel.fitDataset` now accepts a `save_model` (default: `True`)
+  and `save_dataset` (default: `False`) argument to save the model and dataset to a file
+  after fitting.
+- Tutorials were completely rewritten and expanded. They can now be found in
+  the `tutorials` folder instead of the `tutorial` folder.
+- `MetricsPlot` now supports multi-class and multi-task classification models.
+- `CorrelationPlot` now supports multi-task regression models.
+- The behaviour of `QSPRDataset` was changed with regards to target properties. It now
+  remembers the original state of any target property and all changes are performed in
+  place on the original property column (i.e. conversion to multi-class classification).
+  This is to always maintain the same property name and always have the option to reset
+  it to the raw original state (i.e. if we switch to regression or want to repeat a
+  transformation).
+- The default log level for the package was changed from `INFO` to `WARNING`. A new
+  tutorial
+  was added to explain how to change the log level.
+- `RepeatsFilter` argument `year_name` renamed to `time_col` and
+  arugment `additional_cols` added.
+- The `perc` argument of `BorutaPy` can now be set from the CLI.
+- Descriptor calculators (previously used to aggregate and manage descriptor sets) were
+  completely removed from the API and descriptor sets can now be added directly to the
+  molecule tables.
+- The rdkit-like descriptor and fingerprint retrieval functions were removed from the
+  API because they complicated implementation of customized descriptors.
+- The `apply` method was simplified and a new API was clearly defined for parallel
+  processing of properties over data sets. To improve molecule processing,
+  a `processMols` method was added to `MoleculeTable`.
+
 ## New Features
 
+- The `qsprpred.benchmarks` module was added, which contains functions to easily
+  benchmark
+  models on datasets.
+- Most unit tests now have a variant that checks whether using a fixed random seed gives
+  reproducible results.
+- The build pipeline now contains a check that the jupyter notebooks give the same
+  results as ones that were observed before.
+- Added `FitMonitor`, `AssessorMonitor`, and `HyperparameterOptimizationMonitor` base
+  classes to monitor the progress of fitting, assessing, and hyperparameter
+  optimization, respectively.
+- Added `BaseMonitor` class to internally keep track of the progress of a fitting,
+  assessing, or hyperparameter optimization process.
+- Added `FileMonitor` class to save the progress of a fitting, assessing, or
+  hyperparameter optimization process to files.
+- Added `WandBMonitor` class to save the progress of a fitting, assessing, or
+  hyperparameter optimization process to [Weights & Biases](https://wandb.ai/).
+- Added `NullMonitor` class to ignore the progress of a fitting, assessing, or
+  hyperparameter optimization process.
+- Added `ListMonitor` class to combine multiple monitors.
+- Cross-validation, testing, hyperparameter optimization and early-stopping were made
+  more flexible by allowing custom splitting and fold generation strategies. A tutorial
+  showcasing these features was created.
+- Added a `reset` method to `QSPRDataset`, which resets splits and loads all descriptors
+  into the training set matrix again.
+- Added `ConfusionMatrixPlot` to plot confusion matrices.
+- Added the `searchWithIndex`, `searchOnProperty`, `searchWithSMARTS` and `sample`
+  to `MoleculeTable` to facilitate more advanced sampling from data.
+- Assessors now have the `split_multitask_scores` flag that can be used to evaluate each
+  task seperately with single-task metrics.
+- `MoleculeDataSet`s now has the `smiles` property to easily get smiles.
+- A Docker-based runner in `testing/runner` can now be used to test GPU-enabled features
+  and run the full CI pipeline.
+- It is now possible to save `PandasDataTable`s to a CSV file instead of the default
+  pickle format (slower, but more human-readable).
+- New `RegressionPlot` class  `WilliamsPlot` added to plot Williams plots.
+- Data sets can now be optionally stored in the `csv` format and not just as a pickle
+  file. This makes it easier to debug and share data sets, but it is slower to load and
+  save.
+- Added `ApplicabilityDomain` class to calculate applicability domain and filter
+  outliers from test sets.
+
 ## Removed Features
+
+- The `Metric` interface has been simplified in order to make it easier to implement
+  custom metrics. The `Metric` interface now only requires the implementation of
+  the `__call__` method, which takes predictions and returns a `float`. The `Metric`
+  interface no longer requires the implementation
+  of `needsDiscreteToScore`, `needsProbaToScore` and `supportsTask`. However, this means
+  the base functionality of `checkMetricCompatibility`, `isClassificationMetric`
+  and `isRegressionMetric` are no longer available.
+- Default hyperparameter search space file, no longer available.
diff --git a/MANIFEST.in b/MANIFEST.in
index 4811b7ae..2400208a 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -1,6 +1,6 @@
 recursive-include qsprpred test_files/data/*.*
 recursive-include qsprpred test_data/*.*
-recursive-include qsprpred test_files/test_predictor/qspr/models/SVC_CLASSIFICATION/*.*
+recursive-include qsprpred *.tsv
 recursive-include qsprpred *.json
 recursive-include qsprpred *.txt
 recursive-include qsprpred *.md
diff --git a/README.md b/README.md
index e5d1753d..4f9c503b 100644
--- a/README.md
+++ b/README.md
@@ -1,4 +1,6 @@
-[![GitHub Marketplace](https://img.shields.io/badge/Marketplace-autopep8-blue.svg?colorA=24292e&colorB=0366d6&style=flat&longCache=true&logo=data:image/png;base64,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)](https://github.com/marketplace/actions/autopep8)
+[**Main**](https://github.com/CDDLeiden/QSPRpred/) [![Build and Deploy Documentation](https://github.com/CDDLeiden/QSPRpred/actions/workflows/docs_ci.yml/badge.svg?branch=main)](https://github.com/CDDLeiden/QSPRpred/actions/workflows/docs_ci.yml)[![Multi-OS Complete Test](https://github.com/CDDLeiden/QSPRpred/actions/workflows/dev_ci.yml/badge.svg?branch=main)](https://github.com/CDDLeiden/QSPRpred/actions/workflows/dev_ci.yml)
+
+[**Dev**](https://github.com/CDDLeiden/QSPRpred/tree/dev) [![Build and Deploy Documentation](https://github.com/CDDLeiden/QSPRpred/actions/workflows/docs_ci.yml/badge.svg?branch=dev)](https://github.com/CDDLeiden/QSPRpred/actions/workflows/docs_ci.yml)[![Multi-OS Complete Test](https://github.com/CDDLeiden/QSPRpred/actions/workflows/dev_ci.yml/badge.svg?branch=dev)](https://github.com/CDDLeiden/QSPRpred/actions/workflows/dev_ci.yml)
 
 QSPRpred
 ====================
@@ -6,11 +8,30 @@ QSPRpred
 <img src='figures/QSPRpred_logo.jpg' width=10% align=right>
 <p align=left width=70%>
 
-QSPRpred is open-source software libary for building **Quantitative Structure Property Relationship (QSPR)** model developed by Gerard van Westen's Computational Drug Discovery group. It provides a unified interface for building QSPR models based on different types of descriptors and machine learning algorithms. We developed this package to support our research, recognizing the necessity to reduce repetition in our model building workflow and improve the reproducibility and reusability of our models. In making this package available here, we hope that it may be of use to other researchers as well. QSPRpred is still in active development, and we welcome contributions and feedback from the community.
-
-QSPRpred is designed to be modular and extensible, so that new functionality can be easily added. A command line interface is available for basic use cases to quickly, explore varying scenarios. For more advanced use cases, the Python API offers extra flexibility and control, allowing more complex workflows and additional features. 
-
-Internally, QSPRpred relies heavily on the <a href="https://www.rdkit.org">RDKit</a> and <a href="https://scikit-learn.org/stable/">scikit-learn</a> libraries. Furthermore, for scikit-learn model saving and loading, QSPRpred uses <a href="https://github.com/OlivierBeq/ml2json">ml2json</a> for safer and interpretable model serialization. QSPRpred is also interoperable with <a href="https://github.com/OlivierBeq/Papyrus-scripts">Papyrus</a>, a large scale curated dataset aimed at bioactivity predictions, for data collection. Models developed with QSPRpred are compatible with the group's *de novo* drug design package <a href="https://github.com/CDDLeiden/DrugEx/">DrugEx</a>.
+QSPRpred is open-source software libary for building **Quantitative Structure Property
+Relationship (QSPR)** model developed by Gerard van Westen's Computational Drug
+Discovery group. It provides a unified interface for building QSPR models based on
+different types of descriptors and machine learning algorithms. We developed this
+package to support our research, recognizing the necessity to reduce repetition in our
+model building workflow and improve the reproducibility and reusability of our models.
+In making this package available here, we hope that it may be of use to other
+researchers as well. QSPRpred is still in active development, and we welcome
+contributions and feedback from the community.
+
+QSPRpred is designed to be modular and extensible, so that new functionality can be
+easily added. A command line interface is available for basic use cases to quickly,
+explore varying scenarios. For more advanced use cases, the Python API offers extra
+flexibility and control, allowing more complex workflows and additional features.
+
+Internally, QSPRpred relies heavily on the <a href="https://www.rdkit.org">RDKit</a>
+and <a href="https://scikit-learn.org/stable/">scikit-learn</a> libraries. Furthermore,
+for scikit-learn model saving and loading, QSPRpred
+uses <a href="https://github.com/OlivierBeq/ml2json">ml2json</a> for safer and
+interpretable model serialization. QSPRpred is also interoperable
+with <a href="https://github.com/OlivierBeq/Papyrus-scripts">Papyrus</a>, a large scale
+curated dataset aimed at bioactivity predictions, for data collection. Models developed
+with QSPRpred are compatible with the group's *de novo* drug design
+package <a href="https://github.com/CDDLeiden/DrugEx/">DrugEx</a>.
 
 
 Quick Start
@@ -24,47 +45,63 @@ QSPRpred can be installed with pip like so (with python >= 3.10):
 pip install git+https://github.com/CDDLeiden/QSPRpred.git@main
 ```
 
-Note that this will install the basic dependencies, but not the optional dependencies. If you want to use the optional dependencies, you can install the package with an option:
+Note that this will install the basic dependencies, but not the optional dependencies.
+If you want to use the optional dependencies, you can install the package with an
+option:
 
 ```bash
 pip install git+https://github.com/CDDLeiden/QSPRpred.git@main#egg=qsprpred[<option>]
 ```
 
 The following options are available:
-- extra : include extra dependencies for PCM models and extra descriptor sets from packages other than RDKit
+
+- extra : include extra dependencies for PCM models and extra descriptor sets from
+  packages other than RDKit
 - deep : include deep learning models (torch and chemprop)
-- pyboost : include pyboost model (requires cupy, `pip install cupy-cudaX`, replace X with your [cuda version](https://docs.cupy.dev/en/stable/install.html))
-- full : include all optional dependecies (requires cupy, `pip install cupy-cudaX`, replace X with your [cuda version](https://docs.cupy.dev/en/stable/install.html))
+- pyboost : include pyboost model (requires cupy, `pip install cupy-cudaX`, replace X
+  with your [cuda version](https://docs.cupy.dev/en/stable/install.html), you can obtain
+  cude toolkit from Anaconda as well: `conda install cudatoolkit`)
+- full : include all optional dependecies (requires cupy, `pip install cupy-cudaX`,
+  replace X with your [cuda version](https://docs.cupy.dev/en/stable/install.html))
 
-### Multiple Sequence Alignment Provider for Protein Descriptors
+### Note on PCM Modelling
 
-If you plan to optionally use QSPRpred to calculate protein descriptors for PCM, make sure to also install Clustal Omega. You can get it via `conda`:
+If you plan to optionally use QSPRPred to calculate protein descriptors for PCM, make
+sure to also install Clustal Omega. You can get it via `conda` (**for Linux and MacOS
+only**):
 
 ```bash
 
 conda install -c bioconda clustalo
 ```
+
 or install MAFFT instead:
 
 ```bash
 conda install -c biocore mafft
 ```
-This is needed to provide multiple sequence alignments for the PCM descriptors.
-At the moment, we do not support protein descriptor calculation for PCM on Windows.
+
+This is needed to provide multiple sequence alignments for the PCM descriptors. If
+Windows is your platform of choice, these tools will need to be installed manually or a
+custom implementation of the `MSAProvider` class will have to be made.
 
 ## Use
-After installation, you will have access to various command line features, but you can also use the Python API directly (see [Documentation](https://cddleiden.github.io/QSPRpred/docs/)). For a quick start, you can also check out the  [Jupyter notebook tutorials](./tutorial), which documents the use of the Python API to build different types of models. [This tutorial](./tutorial/tutorial_training.ipynb) shows how a QSAR model can be trained. [This tutorial](./tutorial/tutorial_usage.ipynb) shows how to use a QSAR model to predict the bioactivity of a set of molecules. The tutorials as well as the [documentation](https://cddleiden.github.io/QSPRpred/docs/use.html) are still work in progress, and we will be happy for any contributions where it is still lacking.
 
-To use the commandline to train the same QSAR model as in the tutorial use (run from tutorial folder):
-```bash
-python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o qspr/data -pr GABAAalpha -pr NMDA -r true -sp random -sf 0.15 -fe Morgan
-python -m qsprpred.model_CLI -dp ./qspr/data/GABAAalpha_REGRESSION_df.pkl -o ./qspr/models -m PLS -o bayes -nt 5 -me -s
-```
+After installation, you will have access to various command line features and you can
+use the Python API directly (
+see [Documentation](https://cddleiden.github.io/QSPRPred/docs/)). For a quick start, you
+can also check out the [Jupyter notebook tutorials](./tutorials/README.md), which
+document the use of the Python API to build different types of models. The tutorials as
+well as the documentation are still work in progress, and we will be happy for any
+contributions where it is still lacking.
 
 Contributions
 =============
 
-Contributions and issue reports are more than welcome. Pull requests can be made directly to the `main` branch and we will transfer them to [contrib](https://github.com/CDDLeiden/QSPRpred/tree/contrib) when scheduled for the next release.
+Contributions and issue reports are more than welcome. Pull requests can be made
+directly to the `main` branch and we will transfer them
+to [contrib](https://github.com/CDDLeiden/QSPRpred/tree/contrib) when scheduled for the
+next release.
 
 Workflow
 ========
@@ -72,6 +109,7 @@ Workflow
 
 Current Development Team
 ========================
+
 - [H. van den Maagdenberg](https://github.com/HellevdM)
 - [M. Sicho](https://github.com/martin-sicho)
 - [L. Schoenmaker](https://github.com/LindeSchoenmaker)
@@ -79,3 +117,7 @@ Current Development Team
 - [S. Luukkonen](https://github.com/sohviluukkonen)
 - [M. Gorosiola González](https://github.com/gorostiolam)
 - [D. Araripe](https://github.com/David-Araripe)
+- [C. Jespers](https://github.com/ChielJespers)
+- [A. Bernatavicius](https://github.com/andriusbern)
+- [R. van den Broek](https://github.com/rlvandenbroek)
+
diff --git a/docs/.gitignore b/docs/.gitignore
new file mode 100644
index 00000000..8d634c99
--- /dev/null
+++ b/docs/.gitignore
@@ -0,0 +1,2 @@
+/api/*
+!*/api/modules.rst
\ No newline at end of file
diff --git a/docs/api/qsprpred.data.rst b/docs/api/qsprpred.data.rst
deleted file mode 100644
index def19b90..00000000
--- a/docs/api/qsprpred.data.rst
+++ /dev/null
@@ -1,46 +0,0 @@
-qsprpred.data package
-=====================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.data.sources
-   qsprpred.data.utils
-
-Submodules
-----------
-
-qsprpred.data.data module
--------------------------
-
-.. automodule:: qsprpred.data.data
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.interfaces module
--------------------------------
-
-.. automodule:: qsprpred.data.interfaces
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.tests module
---------------------------
-
-.. automodule:: qsprpred.data.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.data
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.data.sources.papyrus.rst b/docs/api/qsprpred.data.sources.papyrus.rst
deleted file mode 100644
index 7a07e2a6..00000000
--- a/docs/api/qsprpred.data.sources.papyrus.rst
+++ /dev/null
@@ -1,29 +0,0 @@
-qsprpred.data.sources.papyrus package
-=====================================
-
-Submodules
-----------
-
-qsprpred.data.sources.papyrus.papyrus\_class module
----------------------------------------------------
-
-.. automodule:: qsprpred.data.sources.papyrus.papyrus_class
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.sources.papyrus.papyrus\_filter module
-----------------------------------------------------
-
-.. automodule:: qsprpred.data.sources.papyrus.papyrus_filter
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.data.sources.papyrus
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.data.sources.rst b/docs/api/qsprpred.data.sources.rst
deleted file mode 100644
index fad5542c..00000000
--- a/docs/api/qsprpred.data.sources.rst
+++ /dev/null
@@ -1,18 +0,0 @@
-qsprpred.data.sources package
-=============================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.data.sources.papyrus
-
-Module contents
----------------
-
-.. automodule:: qsprpred.data.sources
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.data.utils.descriptor_utils.rst b/docs/api/qsprpred.data.utils.descriptor_utils.rst
deleted file mode 100644
index 120e225f..00000000
--- a/docs/api/qsprpred.data.utils.descriptor_utils.rst
+++ /dev/null
@@ -1,45 +0,0 @@
-qsprpred.data.utils.descriptor\_utils package
-=============================================
-
-Submodules
-----------
-
-qsprpred.data.utils.descriptor\_utils.drugexproperties module
--------------------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptor_utils.drugexproperties
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.descriptor\_utils.fingerprints module
----------------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptor_utils.fingerprints
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.descriptor\_utils.interfaces module
--------------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptor_utils.interfaces
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.descriptor\_utils.rdkitdescriptors module
--------------------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptor_utils.rdkitdescriptors
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.data.utils.descriptor_utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.data.utils.rst b/docs/api/qsprpred.data.utils.rst
deleted file mode 100644
index 249ad732..00000000
--- a/docs/api/qsprpred.data.utils.rst
+++ /dev/null
@@ -1,109 +0,0 @@
-qsprpred.data.utils package
-===========================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.data.utils.descriptor_utils
-
-Submodules
-----------
-
-qsprpred.data.utils.data\_clustering module
--------------------------------------------
-
-.. automodule:: qsprpred.data.utils.data_clustering
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.datafilters module
---------------------------------------
-
-.. automodule:: qsprpred.data.utils.datafilters
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.dataimputers module
----------------------------------------
-
-.. automodule:: qsprpred.data.utils.dataimputers
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.datasplitters module
-----------------------------------------
-
-.. automodule:: qsprpred.data.utils.datasplitters
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.descriptorcalculator module
------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptorcalculator
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.descriptorsets module
------------------------------------------
-
-.. automodule:: qsprpred.data.utils.descriptorsets
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.feature\_standardization module
----------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.feature_standardization
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.featurefilters module
------------------------------------------
-
-.. automodule:: qsprpred.data.utils.featurefilters
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.folds module
---------------------------------
-
-.. automodule:: qsprpred.data.utils.folds
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.scaffolds module
-------------------------------------
-
-.. automodule:: qsprpred.data.utils.scaffolds
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.data.utils.smiles\_standardization module
---------------------------------------------------
-
-.. automodule:: qsprpred.data.utils.smiles_standardization
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.data.utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.data.rst b/docs/api/qsprpred.extra.data.rst
deleted file mode 100644
index c738e06d..00000000
--- a/docs/api/qsprpred.extra.data.rst
+++ /dev/null
@@ -1,37 +0,0 @@
-qsprpred.extra.data package
-===========================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.extra.data.utils
-
-Submodules
-----------
-
-qsprpred.extra.data.data module
--------------------------------
-
-.. automodule:: qsprpred.extra.data.data
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.data.tests module
---------------------------------
-
-.. automodule:: qsprpred.extra.data.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.data
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.data.utils.descriptor_utils.rst b/docs/api/qsprpred.extra.data.utils.descriptor_utils.rst
deleted file mode 100644
index 6d932cfd..00000000
--- a/docs/api/qsprpred.extra.data.utils.descriptor_utils.rst
+++ /dev/null
@@ -1,29 +0,0 @@
-qsprpred.extra.data.utils.descriptor\_utils package
-===================================================
-
-Submodules
-----------
-
-qsprpred.extra.data.utils.descriptor\_utils.fingerprints module
----------------------------------------------------------------
-
-.. automodule:: qsprpred.extra.data.utils.descriptor_utils.fingerprints
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.data.utils.descriptor\_utils.msa\_calculator module
-------------------------------------------------------------------
-
-.. automodule:: qsprpred.extra.data.utils.descriptor_utils.msa_calculator
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.data.utils.descriptor_utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.data.utils.rst b/docs/api/qsprpred.extra.data.utils.rst
deleted file mode 100644
index 52fa119b..00000000
--- a/docs/api/qsprpred.extra.data.utils.rst
+++ /dev/null
@@ -1,45 +0,0 @@
-qsprpred.extra.data.utils package
-=================================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.extra.data.utils.descriptor_utils
-
-Submodules
-----------
-
-qsprpred.extra.data.utils.datasplitters module
-----------------------------------------------
-
-.. automodule:: qsprpred.extra.data.utils.datasplitters
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.data.utils.descriptorcalculator module
------------------------------------------------------
-
-.. automodule:: qsprpred.extra.data.utils.descriptorcalculator
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.data.utils.descriptorsets module
------------------------------------------------
-
-.. automodule:: qsprpred.extra.data.utils.descriptorsets
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.data.utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.gpu.models.rst b/docs/api/qsprpred.extra.gpu.models.rst
deleted file mode 100644
index f9403de6..00000000
--- a/docs/api/qsprpred.extra.gpu.models.rst
+++ /dev/null
@@ -1,53 +0,0 @@
-qsprpred.extra.gpu.models package
-=================================
-
-Submodules
-----------
-
-qsprpred.extra.gpu.models.chemprop module
------------------------------------------
-
-.. automodule:: qsprpred.extra.gpu.models.chemprop
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.gpu.models.dnn module
-------------------------------------
-
-.. automodule:: qsprpred.extra.gpu.models.dnn
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.gpu.models.neural\_network module
-------------------------------------------------
-
-.. automodule:: qsprpred.extra.gpu.models.neural_network
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.gpu.models.pyboost module
-----------------------------------------
-
-.. automodule:: qsprpred.extra.gpu.models.pyboost
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.gpu.models.tests module
---------------------------------------
-
-.. automodule:: qsprpred.extra.gpu.models.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.gpu.models
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.gpu.rst b/docs/api/qsprpred.extra.gpu.rst
deleted file mode 100644
index e0d66150..00000000
--- a/docs/api/qsprpred.extra.gpu.rst
+++ /dev/null
@@ -1,18 +0,0 @@
-qsprpred.extra.gpu package
-==========================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.extra.gpu.models
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.gpu
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.models.rst b/docs/api/qsprpred.extra.models.rst
deleted file mode 100644
index 05230912..00000000
--- a/docs/api/qsprpred.extra.models.rst
+++ /dev/null
@@ -1,37 +0,0 @@
-qsprpred.extra.models package
-=============================
-
-Submodules
-----------
-
-qsprpred.extra.models.models module
------------------------------------
-
-.. automodule:: qsprpred.extra.models.models
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.models.pcm module
---------------------------------
-
-.. automodule:: qsprpred.extra.models.pcm
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.extra.models.tests module
-----------------------------------
-
-.. automodule:: qsprpred.extra.models.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra.models
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.extra.rst b/docs/api/qsprpred.extra.rst
deleted file mode 100644
index 1d6c03f2..00000000
--- a/docs/api/qsprpred.extra.rst
+++ /dev/null
@@ -1,20 +0,0 @@
-qsprpred.extra package
-======================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.extra.data
-   qsprpred.extra.gpu
-   qsprpred.extra.models
-
-Module contents
----------------
-
-.. automodule:: qsprpred.extra
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.logs.rst b/docs/api/qsprpred.logs.rst
deleted file mode 100644
index 175f703b..00000000
--- a/docs/api/qsprpred.logs.rst
+++ /dev/null
@@ -1,37 +0,0 @@
-qsprpred.logs package
-=====================
-
-Submodules
-----------
-
-qsprpred.logs.config module
----------------------------
-
-.. automodule:: qsprpred.logs.config
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.logs.stopwatch module
-------------------------------
-
-.. automodule:: qsprpred.logs.stopwatch
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.logs.utils module
---------------------------
-
-.. automodule:: qsprpred.logs.utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.logs
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.metrics.rst b/docs/api/qsprpred.metrics.rst
deleted file mode 100644
index 1ebc0bfc..00000000
--- a/docs/api/qsprpred.metrics.rst
+++ /dev/null
@@ -1,21 +0,0 @@
-qsprpred.metrics package
-========================
-
-Submodules
-----------
-
-qsprpred.metrics.calibration module
------------------------------------
-
-.. automodule:: qsprpred.metrics.calibration
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.metrics
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.models.rst b/docs/api/qsprpred.models.rst
deleted file mode 100644
index f2c2482f..00000000
--- a/docs/api/qsprpred.models.rst
+++ /dev/null
@@ -1,77 +0,0 @@
-qsprpred.models package
-=======================
-
-Submodules
-----------
-
-qsprpred.models.assessment\_methods module
-------------------------------------------
-
-.. automodule:: qsprpred.models.assessment_methods
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.early\_stopping module
---------------------------------------
-
-.. automodule:: qsprpred.models.early_stopping
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.hyperparam\_optimization module
------------------------------------------------
-
-.. automodule:: qsprpred.models.hyperparam_optimization
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.interfaces module
----------------------------------
-
-.. automodule:: qsprpred.models.interfaces
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.metrics module
-------------------------------
-
-.. automodule:: qsprpred.models.metrics
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.sklearn module
-------------------------------
-
-.. automodule:: qsprpred.models.sklearn
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.tasks module
-----------------------------
-
-.. automodule:: qsprpred.models.tasks
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.models.tests module
-----------------------------
-
-.. automodule:: qsprpred.models.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.models
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.plotting.rst b/docs/api/qsprpred.plotting.rst
deleted file mode 100644
index ac8d321e..00000000
--- a/docs/api/qsprpred.plotting.rst
+++ /dev/null
@@ -1,45 +0,0 @@
-qsprpred.plotting package
-=========================
-
-Submodules
-----------
-
-qsprpred.plotting.classification module
----------------------------------------
-
-.. automodule:: qsprpred.plotting.classification
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.plotting.interfaces module
------------------------------------
-
-.. automodule:: qsprpred.plotting.interfaces
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.plotting.regression module
------------------------------------
-
-.. automodule:: qsprpred.plotting.regression
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.plotting.tests module
-------------------------------
-
-.. automodule:: qsprpred.plotting.tests
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.plotting
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.rst b/docs/api/qsprpred.rst
deleted file mode 100644
index 44d520ec..00000000
--- a/docs/api/qsprpred.rst
+++ /dev/null
@@ -1,51 +0,0 @@
-qsprpred package
-================
-
-Subpackages
------------
-
-.. toctree::
-   :maxdepth: 4
-
-   qsprpred.data
-   qsprpred.extra
-   qsprpred.logs
-   qsprpred.metrics
-   qsprpred.models
-   qsprpred.plotting
-   qsprpred.utils
-
-Submodules
-----------
-
-qsprpred.data\_CLI module
--------------------------
-
-.. automodule:: qsprpred.data_CLI
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.model\_CLI module
---------------------------
-
-.. automodule:: qsprpred.model_CLI
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-qsprpred.predict\_CLI module
-----------------------------
-
-.. automodule:: qsprpred.predict_CLI
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/api/qsprpred.utils.rst b/docs/api/qsprpred.utils.rst
deleted file mode 100644
index e8273f07..00000000
--- a/docs/api/qsprpred.utils.rst
+++ /dev/null
@@ -1,21 +0,0 @@
-qsprpred.utils package
-======================
-
-Submodules
-----------
-
-qsprpred.utils.inspect module
------------------------------
-
-.. automodule:: qsprpred.utils.inspect
-   :members:
-   :undoc-members:
-   :show-inheritance:
-
-Module contents
----------------
-
-.. automodule:: qsprpred.utils
-   :members:
-   :undoc-members:
-   :show-inheritance:
diff --git a/docs/cli_usage.rst b/docs/cli_usage.rst
new file mode 100644
index 00000000..2e927ac4
--- /dev/null
+++ b/docs/cli_usage.rst
@@ -0,0 +1,415 @@
+..  _cli-usage:
+
+Command Line Interface Usage
+============================
+
+You can use the command-line interface to preprocess data and build models.
+The description of the functionality can be displayed with the :code:`--help` argument,
+e.g. the help message for the :code:`QSPRpred.data_CLI` script can be shown as follows:
+
+..  code-block::
+
+    python -m qsprpred.data_CLI --help
+
+A simple command-line workflow to prepare your dataset and train QSPR models is given below (see :ref:`CLI Example`).
+
+If you want more control over the inputs and outputs or want to customize QSPRpred for your purpose,
+you can also use the Python API directly (see `tutorials <https://github.com/CDDLeiden/QSPRpred/tree/main/tutorials>`_).
+
+CLI Example
+***********
+
+In this example, we will use the command line utilities of QSPRpred to train a QSAR model for the A2A and A2B receptor.
+We will use the Adenosine dataset from the API tutorial. The data is available through `OneDrive <https://1drv.ms/u/s!AtzWqu0inkjX3QRxXOkTFNv7IV7u?e=PPj0O2>`_
+(just unzip and place the two datasets **A2A_LIGANDS.tsv** and **AR_LIGANDS.tsv** in the 'tutorial_data' folder) or recreate the dataset yourself by running 'tutorial_data/create_tutorial_data.py'.
+
+Input data should contain a column with SMILES sequences and at least one column with a property for modelling.
+The **AR_LIGANDS.tsv** file contains a SMILES column, a column with the property **pchembl_value_mean** and a column with the property **accession** (uniprot accession numbers).
+However, to create models for the A2A and A2B receptor, we need to have the data in a pivot table format, where the properties are in the columns.
+To create this pivot table, we can use the pandas library in Python as follows:
+
+..  code-block::
+
+    import pandas as pd
+    df = pd.read_csv('tutorial_data/AR_LIGANDS.tsv', sep='\t')
+    df = df.pivot(index="SMILES", columns="accession", values="pchembl_value_Mean")
+    df.columns.name = None
+    df.reset_index(inplace=True)
+    df.to_csv('tutorial_data/AR_LIGANDS_pivot.tsv', sep='\t')
+
+It is also possible to simply run the **create_tutorial_data.py** script in the **tutorial_data** folder with the following command:
+
+..  code-block::
+
+    python create_tutorial_data.py -m AR_LIGANDS.tsv
+
+This will create a pivot table with the name **AR_LIGANDS_pivot.tsv** in the **tutorial_data** folder.
+Our example dataset now contains a SMILES column and two columns with the properties **P29274** (A2AR) and **P29275** (A2BR) 
+(as well as a columns for A1 and A3, which we will not use in this example).
+
+Preparing Data
+--------------
+
+.. _Data Basics:
+
+Basics
+^^^^^^
+We will now use the QSPRpred :code:`QSPRpred.data_CLI` script for data preparation.
+In the CLI we need to indicate which property/ies we are interested in predicting (here P29274 and P29275, the A2A and A2B receptor respectively),
+this should be equal to the column names (should not contain spaces) containing the values to be predicted. 
+For regression models these columns should contain numerical datapoints.
+For categorical models either categorical data or numerical data can be used (the latter will be categorized based on the activity threshold).
+Furthermore, we should indicate how we wish to split the data to create a train and test set.
+Here we will use a random split with a test fraction of 15%. We need to calculate features that describe the molecules,
+here we use Morgan fingerprints.
+
+..  code-block::
+
+    # input is in tutorial/data/AR_LIGANDS_pivot.tsv
+    python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp random -sf 0.15 -fe Morgan
+
+Running this command will create folders **tutorial_output/data**, with subfolders **P29274_REGRESSION** and **P29275_REGRESSION** containing the prepared data.
+Each subfolder, named by the property identifiers (i.e. P29274/P29275) and the model task (REGRESSION),
+will contain the following files:
+
++----------------------------------------------------+--------------------------------------------------------+
+| File                                               | Function                                               |
++====================================================+========================================================+
+|| {prefixes}_df.pkl                                 || Dataframe                                             |
+|| {prefixes}_meta.json                              || Meta data, also used to instantiate a QSPRData object |
+|| {prefixes}_MorganFP                               || Descriptor set folder                                 |
+|| {prefixes}_MorganFP/{prefixes}_MorganFP_df.pkl    || Calculated descriptors                                |
+|| {prefixes}_MorganFP/{prefixes}_MorganFP_meta.json || Meta data of the descriptor set                       |
++----------------------------------------------------+--------------------------------------------------------+
+
+Furthermore, the command line interface will create a log file and settings file in the output folder.
+
++--------------------------------------------------+-------------------------------------------------------+
+| File                                             | Function                                              |
++==================================================+=======================================================+
+|| QSPRdata.json                                   || Command Line interface settings                      |
+|| QSPRdata.log                                    || Log file                                             |
++--------------------------------------------------+-------------------------------------------------------+
+
+.. _Data More:
+
+More
+^^^^
+
+.. _Data Run settings arguments:
+
+Run settings arguments
+""""""""""""""""""""""
+Apart from the the input file name, there are a few other base options that can be set.
+Including ``-d``, will print debug information to the log file. The random
+seed (``-ran``) can also be set manually, which should guarantee identical results while keeping the same random seed.
+Furthermore, the number of cpu's (-ncpu) used for model training. Finally, the name of the SMILES column in your dataset
+can be indicated with ``-sm`` (default SMILES).
+
+..  code-block::
+
+    # input is in tutorial/data/AR_LIGANDS_pivot.tsv, setting debug flag, smiles column, random seed, number of cpu's
+        python -m qsprpred.data_CLI  -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -sm SMILES -de -ran 42 -ncpu 5 -pr P29274 -pr P29275 -r REG -sp random -sf 0.15 -fe Morgan
+
+
+Transform target property
+"""""""""""""""""""""""""
+To apply (``-tr``) transformations to target properties, indicate this in the CLI as follows:
+
+..  code-block::
+
+    # Log transform data for P29274
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -tr '{"P29274":"log"}' -r REG -sp random -sf 0.15 -fe Morgan
+
+note. on windows remove the single quotes around the dictionary and add backslashes before the double quotes, e.g. ``-tr {\"P29274\":\"log\"}``
+
+Train-test split
+""""""""""""""""
+In the base example we use a random split to create the train and test set. There are several more options,
+One is a scaffold split, where the data is split into a test and train set randomly but keeping molecules with the same 
+(Murcko) scaffold in the same set.
+
+..  code-block::
+
+    # Scaffold split
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp scaffold -sf 0.15 -fe Morgan
+
+Another option is the cluster split, where the data is split into a test and train set randomly but keeping molecules with the same
+clusters in the same set. Here you can set the clustering method as well (``-scm``).
+
+..  code-block::
+
+    # Cluster split
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp cluster -scm MaxMin -sf 0.15 -fe Morgan
+
+The third option is a temporal split, where a column needs to be indicated which holds information on the time each
+sample was observed and split based on threshold in a column. In this example, all samples after 2015 (in column **year**)
+make up the test set. NOTE: this example will not work on the example set as it does not contain a **year** column.
+
+..  code-block::
+
+    # Time split
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG  -sp time -st 2015 -stc year -fe Morgan
+
+Lastly, the data can be split based on a specific column in the dataset. This column has to be named **datasplit**
+where the value **test** indicates the test set and the value **train** indicates the train set.
+NOTE. this example will not work on the example set as it does not contain a **datasplit** column.
+
+..  code-block::
+
+    # Split based on a specific column
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp manual -sf 0.15 -fe Morgan
+
+Data for classification models
+""""""""""""""""""""""""""""""
+You can set whether to prepare data for regression, classification or both.
+The default setting is to run both, but you can run either by setting the
+regression argument to true/REG for regression or false/CLS for classification.
+When using classification, the threshold(s) for each property (that has not been preclassified) need to be included.
+If the data is already preclassified, the threshold has to be set to 'precomputed'.
+This is set using a dictionary. In case of multi-class classification the bounderies of
+the bins need to be given. For binary classification only give 1 threshold per property.
+
+..  code-block::
+
+    # Classification and regression
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r CLS -sp random -sf 0.15 -fe Morgan -th '{"P29274":[6.5],"P29275":[0,4,6,12]}'
+
+note. on windows remove the single quotes around the dictionary and add backslashes before the double quotes, e.g. ``-th {\"P29274\":[6.5],\"P29275\":[0,4,6,10]}``.
+
+Feature calculation
+"""""""""""""""""""
+There are many different descriptor sets that can be calculated from the CLI,
+such as Morgan fingerprints, rdkit, Mordred, Mold2 and Padel descriptors.
+Check the help message for the full list of available descriptor sets.
+The different descriptor sets can also be combined.
+For more control over the descriptor settings use the python API.
+
+..  code-block::
+
+    # With Morgan, RDkit, Mordred, Mold2, PaDEL and DrugEx descriptors
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp random -sf 0.15 -fe Morgan RDkit Mordred Mold2 PaDEL DrugEx
+
+Feature filtering
+"""""""""""""""""
+The calculated features can also be filtered. Three different filters are implemented in
+QSPRpred, namely a high correlation filter, a low variance filter and the boruta filter.
+The high correlation filter and low variance filter need to be set with a threshold
+for filtering. The boruta filter needs a threshold for the comparison between shadow 
+and real features.
+
+..  code-block::
+
+    # input is in ./data/LIGAND_RAW_small.tsv
+       python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 -pr P29275 -r REG -sp random -sf 0.15 -fe Morgan -lv 0.1 -hc 0.9 -bf 90
+
+Papyrus Low quality filter
+""""""""""""""""""""""""""
+Specifically for use with a dataset from the `Papyrus dataset <https://chemrxiv.org/engage/chemrxiv/article-details/617aa2467a002162403d71f0>`_,
+an option is included for filtering low quality data from the dataset (All data is removed with value 'Low' in column 'Quality').
+To apply this filter include ``-lq`` or ``--low_quality`` in your command.
+
+Multitask data
+""""""""""""""
+Multitask modelling is possible by passing multiple properties to the ``-pr`` argument. Furthermore, missing data can be
+imputed using the ``-im`` argument. You can combine any number of targets and combination of regression and classification
+tasks for the data preparation, however currently the DNN models do not support multitask modelling and only the random
+forest models and KNN sklearn models are supported for multitask. The multitask sklearn modelling is only possible for 
+multiple regression task or multiple single class classification tasks. For multiple multi-class classification tasks or
+a combination of regression and classification tasks, the multitask modelling is not supported at the moment.
+
+..  code-block::
+
+    # input is in ./data/parkinsons_pivot.tsv
+        python -m qsprpred.data_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/data -pr P29274 P29275 -r REG -sp random -sf 0.15 -fe Morgan -im '{"P29274":"mean", "P29275":"median"}'
+
+Note. on windows remove the single quotes around the dictionary and add backslashes before the double quotes, e.g. -im {\"P29274\":\"mean\",\"P29275\":\"median\"}
+
+Model Training
+--------------
+
+.. _Model Basics:
+
+Basics
+^^^^^^
+
+Finally, we need to indicate what models we want to train and which steps to take in the training.
+In this example, we will build regression random forest models through passing the prepared regression datasets files
+**P29274_REGRESSION** and **P29275_REGRESSION** to the ``-dp`` argument. If you wish to train classification models, you
+can pass the classification datasets **P29274_SINGLECLASS** and **P29275_MULTICLASS** to the ``-dp`` argument
+(or any combination thereof). The model type is set with ``-m``. 
+We will also evaluate the model through cross-validation (``-me``) and train the model on all data to save for further use (``-s``).
+
+..  code-block::
+
+    # Using the prepared datasets P29274_REGRESSION and P29275_REGRESSION
+        python -m qsprpred.model_CLI -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -mt RF -me -s
+
+This will create a folder **tutorial_output/models** containing the trained models.
+Each subfolder, named by the model type (RF) and the dataset name (P29274_REGRESSION/P29275_REGRESSION),
+will contain the following files:
+
++--------------------------------------------------+---------------------------------------------------------+
+| File                                             | Function                                                |
++==================================================+=========================================================+
+|| {prefixes}.json                                 || Model file                                             |
+|| {prefixes}_meta.json                            || Meta data, also used to instantiate a QSPRModel object |
+|| {prefixes}_cv.tsv                               || Cross-validation predictions                           |
+|| {prefixes}_ind.tsv                              || Test set predictions                                   |
++--------------------------------------------------+---------------------------------------------------------+
+
+Furthermore, the command line interface will create a log file and settings file in the output folder.
+
++--------------------------------------------------+-------------------------------------------------------+
+| File                                             | Function                                              |
++==================================================+=======================================================+
+|| QSPRmodel.json                                  || Command Line interface settings                      |
+|| QSPRmodel.log                                   || Log file                                             |
++--------------------------------------------------+-------------------------------------------------------+
+
+.. _Model More:
+
+More
+^^^^
+The model training can be further customized with several CLI arguments.
+For more control over the model training settings use the python API.
+Here you can find a short overview.
+
+.. _Model Run settings arguments:
+
+Run settings arguments
+""""""""""""""""""""""
+As with the data preparation including ``-de``, will print debug information to the log file. The random 
+seed can also be set manually (although identical results are not guaranteed while keeping
+the same random seed). Furthermore, the number of cpu's used for model training and the
+gpu number for training pytorch models can be set.
+
+..  code-block::
+
+    # Setting debug flag, random seed, number of cpu's and a specific gpu (for now multiple gpu's not possible)
+        python -m qsprpred.model_CLI -de -ran 42 -ncpu 5 -gpus [3] -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -mt RF -me -s
+
+model types
+"""""""""""
+You also need to indicate which models you want to run, out of the following model types:
+'RF' (Random Forest), 'XGB' (XGboost), 'SVM' (Support Vector Machine), 'PLS' (partial least squares regression),
+'KNN' (k-nearest neighbours), NB' (Naive Bayes) and/or 'DNN' (pytorch fully connected neural net).
+The default is to run all the different model types.
+
+..  code-block::
+
+    # Training a RF, SVM and PLS model
+        python -m qsprpred.model_CLI -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -me -s -mt RF SVM PLS
+
+Defining model parameters
+"""""""""""""""""""""""""
+Specific model parameters can be set with the parameters argument by passing a json file.
+
+./myparams.json
+..  code-block::
+
+    [["RF", {"max_depth": [null, 20, 50, 100],
+            "max_features": ["sqrt", "log2"],
+            "min_samples_leaf": [1, 3, 5]}],
+    ["KNN", {"n_neighbors" : [1, 5, 15, 25, 30],
+            "weights"      : ["uniform", "distance"]}]]
+
+..  code-block::
+
+    # Setting some parameter values for a Random Forest and k-nearest neighbours model
+        python -m qsprpred.model_CLI -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -mt RF KNN -me -s -p ./tutorial_output/myparams
+
+Specifically for the training of the DNN model, you can set the tolerance and the patience from the CLI.
+Tolerance gives the mimimum decrease in loss needed to count as an improvement and 
+patience is the number of training epochs without improvement in loss to stop the training.
+
+..  code-block::
+
+    # Setting the tolerance and patience for training a DNN model
+        python -m qsprpred.model_CLI -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -mt DNN -me -s -tol 0.02 -pat 100
+
+Hyperparameter optimization
+"""""""""""""""""""""""""""
+In addition to setting model parameters manually, a hyperparameter search can be performed.
+In QSPRpred, two methods of hyperparameter optimization are implemented: grid search and 
+bayesian optimization. For baysian optimization also give the number of trials.
+The search space needs to be set using a json file.
+A simple search space file for a RF and KNN model should look as given below.
+Note the indication of the model type as first list item and type of optimization algorithm
+as third list item. The search space file should always include all models to be trained.
+
+./mysearchspace.json
+..  code-block::
+
+    [["RF", {"max_depth": [null, 20, 50, 100],
+            "max_features": ["sqrt", "log2"],
+            "min_samples_leaf": [1, 3, 5]}, "grid"],
+    ["RF", {"n_estimators": ["int", 10, 2000],
+            "max_depth": ["int", 1, 100],
+            "min_samples_leaf": ["int", 1, 25]}, "bayes"],
+    ["KNN", {"n_neighbors" : [1, 5, 15, 25, 30],
+            "weights"      : ["uniform", "distance"]}, "grid"],
+    ["KNN", {"n_neighbors": ["int", 1, 100],
+            "weights": ["categorical", ["uniform", "distance"]],
+            "metric": ["categorical", ["euclidean","manhattan",
+                        "chebyshev","minkowski"]]}, "bayes"]]
+
+..  code-block::
+
+    # Bayesian optimization
+        python -m qsprpred.model_CLI -dp ./tutorial_output/data/P29274_REGRESSION/P29274_REGRESSION_meta.json ./tutorial_output/data/P29275_REGRESSION/P29275_REGRESSION_meta.json -o ./tutorial_output/models -mt RF -me -s -o bayes -nt 5 -ss ./tutorial_output/mysearchspace.json -me -s
+
+Multitask modelling
+"""""""""""""""""""
+Multitask modelling is also possible. This means that the models are trained on multiple targets at once.
+The modelling arguments are the same as for single task modelling, you just need to specifiy a multitask
+dataset data prefix (see multitask data preparation).
+
+Prediction
+-----------
+Furthermore, trained QSPRpred models can be used to predict values from SMILES from the command line interface :code:`predict_CLI.py`.
+
+.. _Prediction Basics:
+
+Basics
+^^^^^^
+Here we will predict activity values for the A1 (P29274) and A3 receptor (P29275) on the SMILES in the 
+dataset used in the previous examples using the models from the previous examples. The input ``-i`` here is the 
+set of SMILES for which we want to predict activity values. The argument ``-mp``, is the paths to the meta files of the 
+models we want to use for prediction relative to the base-directory subfolder qspr/models.
+
+..  code-block::
+    
+    # Making predictions for the A2A and A2B receptor
+    python -m qsprpred.predict_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/predictions/AR_LIGANDS_preds.tsv -mp ./tutorial_output/models/RF_P29274_REGRESSION/RF_P29274_REGRESSION_meta.json ./tutorial_output/models/RF_P29275_REGRESSION/RF_P29275_REGRESSION_meta.json
+
+.. _Prediction More:
+
+More
+^^^^
+The predictions can be further customized with several CLI arguments.
+Here you can find a short overview.
+
+.. _Prediction Run settings arguments:
+
+Run settings arguments
+""""""""""""""""""""""
+As with the data preparation including ``-de``, will print debug information to the log file. The random 
+seed can also be set manually. Furthermore, the number of cpu's used for model prediction and the
+gpu number for prediction with pytorch models can be set.
+
+..  code-block::
+
+    # Setting debug flag, random seed, output file name, number of cpu's and a specific gpu (for now multiple gpu's not possible)
+        python -m qsprpred.predict_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/predictions/AR_LIGANDS_preds.tsv -mp ./tutorial_output/models/RF_P29274_REGRESSION/RF_P29274_REGRESSION_meta.json ./tutorial_output/models/RF_P29275_REGRESSION/RF_P29275_REGRESSION_meta.json -de -ran 42 -ncpu 5 -gpus [3]
+
+    
+Adding probability predictions
+""""""""""""""""""""""""""""""
+When using a classification model, the probability of the predicted class can be added to the output file using the ``-pr`` flag.
+
+..  code-block::
+    
+    # Adding probability predictions
+    python -m qsprpred.predict_CLI -i ./tutorial_data/AR_LIGANDS_pivot.tsv -o ./tutorial_output/predictions/AR_LIGANDS_preds.tsv -mp ./tutorial_output/models/RF_P29274_SINGLECLASS/RF_P29274_SINGLECLASS_meta.json ./tutorial_output/models/RF_P29275_MULTICLASS/RF_P29275_MULTICLASS_meta.json -pr
+
diff --git a/docs/conf.py b/docs/conf.py
index cfdd96c2..2d28931e 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -27,17 +27,22 @@
     'sphinx.ext.viewcode',
     'sphinx.ext.intersphinx',
     'sphinx.ext.napoleon',
-    'sphinx.ext.viewcode'
+    'sphinx.ext.viewcode',
+    'sphinx.ext.autosectionlabel',
+    "sphinx_design",
+    "sphinx_design_elements",
 ]
 
 intersphinx_mapping = {'python': ('https://docs.python.org/3.10', None)}
-
+intersphinx_mapping = {'python': ('https://docs.python.org/3.9', None)}
+autoclass_content = "both"
 autodoc_default_options = {
     "members": True,
     "undoc-members": True,
-    "private-members": False,
-    "show-inheritance": True,
+    "special-members": False,
     "inherited-members": True,
+    "private-members": False,
+    "show-inheritance": True
 }
 
 # napoleon settings
diff --git a/docs/features.rst b/docs/features.rst
new file mode 100644
index 00000000..7e9b4bad
--- /dev/null
+++ b/docs/features.rst
@@ -0,0 +1,258 @@
+.. _features:
+
+Overview of available features
+==============================
+
+.. div:: dropdown-group
+
+    .. dropdown:: Data Sources
+
+        :class:`~qsprpred.data.sources.data_source.DataSource`: Base class for data sources.
+
+        Data sources are used to load data from a source programmatically.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.sources.papyrus.papyrus_class.Papyrus`: Papyrus (See `data collection with Papyrus tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/data/data_collection_with_papyrus.ipynb>`_.)
+
+    .. dropdown:: Data Filters
+
+        :class:`~qsprpred.data.processing.data_filters.DataFilter`: Base class for data filters.
+
+        Data filters are used to filter data based on some criteria.
+        Examples can be found in the `data preparation tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/data/data_preparation.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+                
+                * :class:`~qsprpred.data.processing.data_filters.CategoryFilter`: CategoryFilter
+                * :class:`~qsprpred.data.processing.data_filters.RepeatsFilter`: RepeatsFilter
+
+    .. dropdown:: Descriptor Sets
+
+        :class:`~qsprpred.data.descriptors.sets.DescriptorSet`: Base class for descriptor sets.
+
+        Descriptor sets are used to calculate molecular descriptors for a set of molecules.
+        Examples can be found in the `descriptor calculation tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/data/descriptors.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.descriptors.sets.DrugExPhyschem`: DrugExPhyschem 
+                * :class:`~qsprpred.data.descriptors.sets.PredictorDesc`:PredictorDesc 
+                * :class:`~qsprpred.data.descriptors.sets.RDKitDescs`: RDKitDescs
+                * :class:`~qsprpred.data.descriptors.sets.SmilesDescs`: SmilesDescs
+                * :class:`~qsprpred.data.descriptors.sets.TanimotoDistances`: TanimotoDistances
+                * :class:`~qsprpred.data.descriptors.sets.DataFrameDescriptorSet`: DataFrameDescriptorSet
+                * :class:`~qsprpred.data.descriptors.fingerprints.Fingerprint`: Fingerprint
+                    * :class:`~qsprpred.data.descriptors.fingerprints.AtomPairFP`: AtomPairFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.AvalonFP`: AvalonFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.LayeredFP`: LayeredFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.MaccsFP`: MaccsFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.MorganFP`: MorganFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.PatternFP`: PatternFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.RDKitFP`: RDKitFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.RDKitMACCSFP`: RDKitMACCSFP
+                    * :class:`~qsprpred.data.descriptors.fingerprints.TopologicalFP`: TopologicalFP
+
+            .. tab-item:: Extra
+
+                * :class:`~qsprpred.extra.data.descriptors.sets.ExtendedValenceSignature`: ExtendedValenceSignature
+                * :class:`~qsprpred.extra.data.descriptors.sets.Mold2`: Mold2
+                * :class:`~qsprpred.extra.data.descriptors.sets.Mordred`: Mordred
+                * :class:`~qsprpred.extra.data.descriptors.sets.PaDEL`: PaDEL
+                * :class:`~qsprpred.extra.data.descriptors.sets.ProteinDescriptorSet`: ProteinDescriptorSet
+                    * :class:`~qsprpred.extra.data.descriptors.sets.ProDec`: ProDec
+                * :class:`~qsprpred.data.descriptors.fingerprints.Fingerprint`: Fingerprint
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKAtomPairs2DFP`: CDKAtomPairs2DFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKEStateFP`: CDKEStateFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKExtendedFP`: CDKExtendedFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKFP`: CDKFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKGraphOnlyFP`: CDKGraphOnlyFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKKlekotaRothFP`: CDKKlekotaRothFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKMACCSFP`: CDKMACCSFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKPubchemFP`: CDKPubchemFP
+                    * :class:`~qsprpred.extra.data.descriptors.fingerprints.CDKSubstructureFP`: CDKSubstructureFP
+
+    .. dropdown:: Data Splitters
+
+        :class:`~qsprpred.data.sampling.splits.DataSplit`: Base class for data splitters.
+
+        Data splitters are used to split data into training and test sets.
+        Examples can be found in the `data splitting tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/data/data_splitting.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.sampling.splits.RandomSplit`: RandomSplit
+                * :class:`~qsprpred.data.sampling.splits.ScaffoldSplit`: ScaffoldSplitter
+                * :class:`~qsprpred.data.sampling.splits.TemporalSplit`: StratifiedSplitter
+                * :class:`~qsprpred.data.sampling.splits.ManualSplit`: ManualSplit
+                * :class:`~qsprpred.data.sampling.splits.BootstrapSplit`: BootstrapSplit
+                * :class:`~qsprpred.data.sampling.splits.GBMTDataSplit`: GBMTDataSplit
+                    * :class:`~qsprpred.data.sampling.splits.GBMTRandomSplit`: GBMTRandomSplit
+                    * :class:`~qsprpred.data.sampling.splits.ClusterSplit`: ClusterSplit
+
+            .. tab-item:: Extra
+
+                * :class:`~qsprpred.extra.data.sampling.splits.LeaveTargetsOut`: LeaveTargetsOut
+                * :class:`~qsprpred.extra.data.sampling.splits.PCMSplit`: PCMSplit
+                    * :class:`~qsprpred.extra.data.sampling.splits.TemporalPerTarget`: TemporalPerTarget
+
+
+    .. dropdown:: Feature Filters
+
+        :class:`~qsprpred.data.processing.feature_filters.FeatureFilter`: Base class for feature filters.
+
+        Feature filters are used to filter features based on some criteria.
+        Examples can be found in the `data preparation tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/data/data_preparation.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.processing.feature_filters.HighCorrelationFilter`: HighCorrelationFilter
+                * :class:`~qsprpred.data.processing.feature_filters.LowVarianceFilter`: LowVarianceFilter
+                * :class:`~qsprpred.data.processing.feature_filters.BorutaFilter`: BorutaFilter
+
+    .. dropdown:: Models
+
+        :class:`~qsprpred.models.models.QSPRModel`: Base class for models.
+
+        Models are used to predict properties of molecules.
+        A general example can be found in the `quick start tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/quick_start.ipynb>`_.
+        More detailed information can be found throughout the basic and advanced modelling tutorials.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.models.scikit_learn.SklearnModel`: SklearnModel
+
+            .. tab-item:: Extra
+
+                * :class:`~qsprpred.extra.models.pcm.PCMModel`: PCMModel (See `PCM tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/advanced/modelling/PCM_modelling.ipynb>`_.)
+
+            .. tab-item:: GPU
+                
+                More information can be found in the `deep learning tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/advanced/modelling/deep_learning_models.ipynb>`_.
+                
+                * :class:`~qsprpred.extra.gpu.models.dnn.DNNModel`: DNNModel
+                * :class:`~qsprpred.extra.gpu.models.chemprop.ChempropModel`: ChempropModel (See `Chemprop tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/advanced/modelling/chemprop_models.ipynb>`_.)
+                * :class:`~qsprpred.extra.gpu.models.pyboost.PyBoostModel`: PyBoostModel
+
+    .. dropdown:: Metrics
+
+        :class:`~qsprpred.models.metrics.Metric`: Base class for metrics
+
+        Metrics are used to evaluate the performance of models.
+        More information can be found in the `model assessment tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/modelling/model_assessment.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.models.metrics.SklearnMetrics`: SklearnMetrics
+
+    .. dropdown:: Model Assessors
+
+        :class:`~qsprpred.models.assessment.methods.ModelAssessor`: Base class for model assessors.
+
+        Model assessors are used to assess the performance of models.
+        More information be found in the `model assessment tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/basics/modelling/model_assessment.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.models.assessment.methods.CrossValAssessor`: CrossValAssessor
+                * :class:`~qsprpred.models.assessment.methods.TestSetAssessor`: TestSetAssessor
+
+    .. dropdown:: Hyperparameter Optimizers
+
+        :class:`~qsprpred.models.hyperparam_optimization.HyperparameterOptimization`: Base class for hyperparameter optimizers.
+
+        Hyperparameter optimizers are used to optimize the hyperparameters of models.
+        More information can be found in the `hyperparameter optimization tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/advanced/modelling/hyperparameter_optimization.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.models.hyperparam_optimization.GridSearchOptimization`: GridSearchOptimization
+                * :class:`~qsprpred.models.hyperparam_optimization.OptunaOptimization`: OptunaOptimization
+
+
+    .. dropdown:: Model Plots
+
+        :class:`~qsprpred.plotting.base_plot.ModelPlot`: Base class for model plots.
+
+        Model plots are used to visualize the performance of models.
+        Examples can be found throughout the basic and advanced modelling tutorials.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.plotting.regression.RegressionPlot`: RegressionPlot
+                    * :class:`~qsprpred.plotting.regression.CorrelationPlot`: CorrelationPlot
+                    * :class:`~qsprpred.plotting.regression.WilliamsPlot`: WilliamsPlot
+                * :class:`~qsprpred.plotting.classification.ClassifierPlot`: ClassifierPlot
+                    * :class:`~qsprpred.plotting.classification.ROCPlot`: ROCPlot
+                    * :class:`~qsprpred.plotting.classification.PRCPlot`: PRCPlot
+                    * :class:`~qsprpred.plotting.classification.CalibrationPlot`: CalibrationPlot
+                    * :class:`~qsprpred.plotting.classification.MetricsPlot`: MetricsPlot
+                    * :class:`~qsprpred.plotting.classification.ConfusionMatrixPlot`: ConfusionMatrixPlot
+
+    .. dropdown:: Monitors
+
+        * :class:`~qsprpred.models.monitors.FitMonitor`: Base class for monitoring model fitting
+        * :class:`~qsprpred.models.monitors.AssessorMonitor`: Base class for monitoring model assessment (subclass of :class:`~qsprpred.models.monitors.FitMonitor`)
+        * :class:`~qsprpred.models.monitors.HyperparameterOptimizationMonitor`: Base class for monitoring hyperparameter optimization (subclass of :class:`~qsprpred.models.monitors.AssessorMonitor`)
+
+        Monitors are used to monitor the training of models.
+        More information can be found in the `model monitoring tutorial <https://github.com/CDDLeiden/QSPRpred/blob/main/tutorials/advanced/modelling/monitoring.ipynb>`_.
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.models.monitors.NullMonitor`: NullMonitor
+                * :class:`~qsprpred.models.monitors.ListMonitor`: ListMonitor
+                * :class:`~qsprpred.models.monitors.BaseMonitor`: BaseMonitor
+                    * :class:`~qsprpred.models.monitors.FileMonitor`: FileMonitor
+                    * :class:`~qsprpred.models.monitors.WandBMonitor`: WandBMonitor
+
+    .. dropdown:: Scaffolds
+
+        :class:`~qsprpred.data.chem.scaffolds.Scaffold`: Base class for scaffolds.
+
+        Class for calculating molecular scaffolds of different kinds
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.chem.scaffolds.Murcko`: Murcko
+                * :class:`~qsprpred.data.chem.scaffolds.BemisMurcko`: BemisMurcko
+
+    .. dropdown:: Clustering
+
+        :class:`~qsprpred.data.chem.clustering.MoleculeClusters`: Base class for clustering molecules.
+
+        Classes for clustering molecules
+
+        .. tab-set::
+
+            .. tab-item:: Core
+
+                * :class:`~qsprpred.data.chem.clustering.RandomClusters`: RandomClusters
+                * :class:`~qsprpred.data.chem.clustering.ScaffoldClusters`: ScaffoldClusters
+                * :class:`~qsprpred.data.chem.clustering.FPSimilarityClusters`: FPSimilarityClusters
+                    * :class:`~qsprpred.data.chem.clustering.FPSimilarityMaxMinClusters`: FPSimilarityMaxMinClusters
+                    * :class:`~qsprpred.data.chem.clustering.FPSimilarityLeaderPickerClusters`: FPSimilarityLeaderPickerClusters
diff --git a/docs/index.rst b/docs/index.rst
index a7c4ef7a..c97e9d1b 100644
--- a/docs/index.rst
+++ b/docs/index.rst
@@ -6,7 +6,10 @@
 Welcome to QSPRpred's documentation!
 ====================================
 
-QSPRpred provides functionality to assist with building Quantitative Structure Property relationship models. Model built with QSPRpred can also be used as the enviroment reward function in DrugEx. Here you will find the installation guide (:ref:`installation`), usage examples (:ref:`usage`) and API documentation.
+QSPRpred is open-source software libary for building **Quantitative Structure Property Relationship (QSPR)** models developed by Gerard van Westen's Computational Drug
+Discovery group. It provides a unified interface for building QSPR models based on different types of descriptors and machine learning algorithms.
+Here you will find the installation guide (:ref:`installation-guide`), an overview of available features (:ref:`features`), usage examples (:ref:`cli-usage`) and API documentation (:ref:`Python API`).
+For tutorials and examples of the Python API, please visit the `QSPRpred GitHub repository <https://github.com/CDDLeiden/QSPRpred>`_.
 
 .. toctree::
    :maxdepth: 2
@@ -14,7 +17,8 @@ QSPRpred provides functionality to assist with building Quantitative Structure P
 
    self
    install
-   use
+   cli_usage
+   features
    api/modules
 
 
diff --git a/docs/install.rst b/docs/install.rst
index b4136b5f..86415813 100644
--- a/docs/install.rst
+++ b/docs/install.rst
@@ -1,15 +1,34 @@
-..  _installation:
+..  _installation-guide:
 
 Installation
 ============
 
-You do not need anything special to install the package. Just run the following to get the latest version and all dependencies:
+You do not need anything special to install the package . Just run the following (with python >= 3.10) to get the latest version and all basic dependencies:
 
 ..  code-block::
 
     pip install git+https://github.com/CDDLeiden/QSPRpred.git@main
 
-You can also get tags and development snapshots by varying the :code:`@main` part (i.e. :code:`@1.0.0`). After that you can start building models (see :ref:`usage`).
+You can also get tags and development snapshots by varying the :code:`@main` part (i.e. :code:`@1.0.0`). After that you can start building models (see :ref:`cli-usage`).
+
+Note that this will install the basic dependencies, but not the optional dependencies.
+If you want to use the optional dependencies, you can install the package with an
+option:
+
+..  code-block::
+    
+    pip install git+https://github.com/CDDLeiden/QSPRpred.git@main#egg=qsprpred[<option>]
+
+The following options are available:
+
+- extra : include extra dependencies for PCM models and extra descriptor sets from
+  packages other than RDKit
+- deep : include deep learning models (torch and chemprop)
+- pyboost : include pyboost model (requires cupy, ``pip install cupy-cudaX``, replace X
+  with your `cuda version <https://docs.cupy.dev/en/stable/install.html>`_, you can obtain
+  cude toolkit from Anaconda as well: ``conda install cudatoolkit``)
+- full : include all optional dependecies (requires cupy, ``pip install cupy-cudaX``,
+  replace X with your `cuda version <https://docs.cupy.dev/en/stable/install.html>`_)
 
 You can test the installation by running the unit test suite:
 
diff --git a/docs/requirements.txt b/docs/requirements.txt
index 687e5848..5642b7c2 100644
--- a/docs/requirements.txt
+++ b/docs/requirements.txt
@@ -1,2 +1,4 @@
-sphinx==5.0.2
-sphinx_rtd_theme==1.0.0
\ No newline at end of file
+sphinx
+sphinx_rtd_theme
+sphinx_design
+sphinx_design_elements
\ No newline at end of file
diff --git a/docs/upload.sh b/docs/upload.sh
index 7a579084..91aedadf 100755
--- a/docs/upload.sh
+++ b/docs/upload.sh
@@ -2,22 +2,40 @@
 
 set -e
 
-COMMIT_ID=`git log -1 --pretty=short --abbrev-commit`
+# Get the commit hash of current HEAD and qspred version
+COMMIT_ID=$(git rev-parse --short HEAD)
+QSPPRED_VERSION=$(python -c "import qsprpred; print(qsprpred.__version__)")
 MSG="Adding docs to gh_pages for $COMMIT_ID"
+REMOTE_NAME="origin"
+REMOTE_URL=${REPO_URL:-$(git config --get remote.$REMOTE_NAME.url)}
+git remote set-url --push $REMOTE_NAME "$REMOTE_URL"
+echo "Remote push URL set to: $REMOTE_URL"
 
-BASE_DIR="`pwd`"
+# Clone a temporary copy of the repo with just the gh_pages branch
+BASE_DIR=$(pwd)
 HTML_DIR="$BASE_DIR/_build/html/"
+TEMP_REPO_DIR="/tmp/docs/$USER/QSPRpred/"
+rm -rf "$TEMP_REPO_DIR"
+mkdir -p -m 0755 "$TEMP_REPO_DIR"
+git clone --single-branch --branch gh_pages "$REMOTE_URL" "$TEMP_REPO_DIR"
 
-TMPREPO=/tmp/docs/$USER/QSPRpred/
-rm -rf $TMPREPO
-mkdir -p -m 0755 $TMPREPO
-git clone --single-branch --branch gh_pages `git config --get remote.origin.url` $TMPREPO
-
-cd $TMPREPO
-rm -rf "docs"
-mkdir -p "docs"
-cp -r $HTML_DIR/* "docs"
+# Update the web page directories
+cd "$TEMP_REPO_DIR"
+# link to latest if this is not a dev version or an alpha, beta or rc release
+if [[ $QSPPRED_VERSION != *"alpha"* ]] && [[ $QSPPRED_VERSION != *"beta"* ]] && [[ $QSPPRED_VERSION != *"rc"* ]] && [[ $QSPPRED_VERSION != *"dev"* ]]; then
+    rm -rf "docs/"
+    mkdir -p "docs/"
+    cp -r "$HTML_DIR"/* "docs/"
+else
+    rm -rf "docs-dev/"
+    mkdir -p "docs-dev/"
+    cp -r "$HTML_DIR"/* "docs-dev/"
+fi
 touch .nojekyll
 
+# commit and push changes
 git add -A
-git commit -m "$MSG" && git push origin gh_pages
+git commit -m "$MSG"
+#git remote add $REMOTE_NAME "$REMOTE_URL"
+echo "Pushing to $REMOTE_NAME gh_pages. Remote URL: $(git config --get remote.$REMOTE_NAME.url)"
+git push $REMOTE_NAME gh_pages
diff --git a/docs/use.rst b/docs/use.rst
deleted file mode 100644
index 83983e68..00000000
--- a/docs/use.rst
+++ /dev/null
@@ -1,335 +0,0 @@
-..  _usage:
-
-Usage
-=====
-
-You can use the command-line interface to preprocess data and build models.
-The description of the functionality can be displayed with the :code:`--help` argument,
-e.g. the help message for the :code:`QSPRpred.data_CLI` script can be shown as follows:
-
-..  code-block::
-
-    python -m qsprpred.data_CLI --help
-
-A simple command-line workflow to prepare your dataset and train QSPR models is given below (see :ref:`cli-example`).
-
-If you want more control over the inputs and outputs or want to customize QSPRpred for your purpose,
-you can also use the Python API directly (see `source code <https://github.com/CDDLeiden/QSPRpred/tree/main/tutorial>`).
-Here you can find a tutorial with a Jupyter notebook illustrating some common use cases in the project source code.
-Make sure to download the tutorial folder to follow the examples in this CLI tutorial.
-
-..  _cli-example:
-
-CLI Example
-===========
-
-In this example, we will use the command line utilities of QSPRpred to train a QSAR model for the GABAA receptor and the 
-Glutamate receptor NMDA. We will use the parkinsons dataset from the API tutorial. 
-Make sure to first run the Parkinsons function in the tutorial/datasets.py script (see dataset preparation in the API tutorial)
-to create the tutorial/data/parkinsons_pivot.tsv file.
-QSPRpred assumes that all input data are saved in a subfolder data of the base directory..
-Input data should contain a column with SMILES sequences and at least one column with a property for modelling.
-Therefore, our example dataset 'parkinsons_pivot.tsv' is located in a subfolder 'data' of the tutorial directory.
-
-Preparing Data
---------------
-
-Basics
-^^^^^^
-We will now use the QSPRpred :code:`QSPRpred.data_CLI` script for data preparation.
-In the CLI we need to indicate which property/ies we are interested in predicting (here GABAAalpha and NMDA),
-this should be equal to the column names (should not contain spaces) containing the values to be predicted. 
-For regression models these columns should contain numerical datapoints.
-For categorical models either categorical data or numerical data can be used (the latter will be categorized based on the activity threshold).
-Furthermore, we should indicate how we wish to split the data to create a train and test set.
-Here we will use a random split with a test fraction of 15%. We need to calculate features that describe the molecules,
-here we use morgan fingerprints.
-
-..  code-block::
-
-    # input is in ./data/parkinsons_pivot.tsv
-    python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r REG -sp random -sf 0.15 -fe Morgan
-
-Running this command will create folders 'cli_tutorial/data'. The cli_tutorial/data folder should contain 5 files for
-each property (10 in total), prefixed by the property identifiers (i.e. GABAAalpha/NMDA), the model task (REGRESSION),
-e.g. GABAAalpha_REGRESSION. As well as an log file and a run settings file.
-
-+--------------------------------------------------+-------------------------------------------------------+
-| File                                             | Function                                              |
-+==================================================+=======================================================+
-|| {prefixes}_df.pkl                               || Dataframe                                            |
-|| {prefixes}_descriptor_calculator_Descriptor.json|| re-instantiate descriptor calculator                 |
-|| {prefixes}_Descriptor_df.pkl                    || re-instantiate descriptor dataframe                  |
-|| {prefixes}_feature_standardizer.json            || re-instantiate feature standardizer                  |
-|| {prefixes}_meta.json                            || Meta data, also used to instantiate QSAR data object |
-|| QSPRdata.json                                   || Command Line interface settings                      |
-|| QSPRdata.log                                    || Log file                                             |
-+--------------------------------------------------+-------------------------------------------------------+
-
-
-More
-^^^^
-Run settings arguments
-^^^^^^^^^^^^^^^^^^^^^^^
-Apart from the the input file name, there are a few other base options that can be set.
-The base-directory can be specified using `-b`. Including `-d`, will print debug information to the log file. The random
-seed (-ran) can also be set manually (although identical results are not guaranteed while keeping the same random seed).
-Furthermore, the number of cpu's (-ncpu) used for model training. Finally, the name of the smilescolumn in your dataset
-can be indicated with `-sm` (default SMILES).
-
-..  code-block::
-
-    # input is in tutorial/data/parkinsons_pivot.tsv, setting debug flag, smiles column, random seed, number of cpu's
-        python -m qsprpred.data_CLI -b tutorial -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -sm SMILES -de -ran 42 -ncpu 5 -pr GABAAalpha -pr NMDA -r REG -sp random -sf 0.15 -fe Morgan
-
-
-Transform target property
-"""""""""""""""""""""""""
-To apply (-tr) transformations to target properties, indicate this in the CLI as follows:
-
-..  code-block::
-
-    # Log transform data for GABAAalpha
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -tr '{"GABAAalpha":"log"}' -r REG -sp random -sf 0.15 -fe Morgan
-
-note. on windows remove the single quotes around the dictionary and add backslashes before the double quotes, e.g. -tt {\"GABAAalpha\":\"log\"}
-
-Train test split
-""""""""""""""""
-In the base example we use a random split to create the train and test set. There are two more options,
-namely a scaffold split, where the data is split into a test and train set randomly but keeping molecules with the same 
-(Murcko) scaffold in the same set.
-
-..  code-block::
-
-    # Scaffold split
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r REG -sp scaffold -sf 0.15 -fe Morgan
-
-The third option is a temporal split, where a column needs to be indicated which holds information on the time each
-sample was observed and split based on threshold in a column. In this example, all samples after 2015 (in column 'year')
-make up the test set. NOTE: this example will not work on the example set as it does not contain a 'year' column.
-
-..  code-block::
-
-    # Time split
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r REG  -sp time -st 2015 -stc year -fe Morgan
-
-
-Data for classification models
-""""""""""""""""""""""""""""""
-You can set whether to prepare data for regression, classification or both.
-The default setting is to run both, but you can run either by setting the
-regression argument to true/REG for regression or false/CLS for classification.
-When using classification, the threshold(s) for each property (that has not been preclassified) need to be included.
-If the data is already preclassified, the threshold has to be set to 'precomputed'.
-This is set using a dictionary. In case of multi-class classification the bounderies of
-the bins need to be given. For binary classification only give 1 threshold per property.
-
-..  code-block::
-
-    # Classification and regression
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r CLS -sp random -sf 0.15 -fe Morgan -th '{"GABAAalpha":[6.5],"NMDA":[0,4,6,10]}'
-
-note. on windows remove the single quotes around the dictionary and add backslashes before the double quotes, e.g. -th {\"GABAAalpha\":[6.5],\"NMDA\":[0,4,6,10]}
-
-Feature calculation
-"""""""""""""""""""
-There are seven different descriptor sets that can be calculated at the moment,
-namely Morgan fingerprints, rdkit, Mordred, Mold2 and Padel descriptors, the
-physicochemical properties used in the QSAR models in the DrugEx papers from Liu et al., and
-the SMILES based signatures of extended valence. They can also
-be combined. For more control over the descriptorcalculator settings use the python API.
-
-..  code-block::
-
-    # With Morgan, RDkit, Mordred, Mold2, PaDEL and DrugEx descriptors
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r REG -sp random -sf 0.15 -fe Morgan RDkit Mordred Mold2 PaDEL DrugEx
-
-Feature filtering
-"""""""""""""""""
-The calculated features can also be filtered. Three different filters are implemented in
-QSPRpred, namely a high correlation filter, a low variance filter and the boruta filter.
-The high correlation filter and low variance filter need to be set with a threshold
-for filtering.
-
-..  code-block::
-
-    # input is in ./data/LIGAND_RAW_small.tsv
-       python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha -pr NMDA -r REG -sp random -sf 0.15 -fe Morgan -lv 0.1 -hc 0.9 -bf
-
-Papyrus Low quality filter
-""""""""""""""""""""""""""
-Specifically for use with a dataset from the `Papyrus dataset <https://chemrxiv.org/engage/chemrxiv/article-details/617aa2467a002162403d71f0>`,
-an option is included for filtering low quality data from the dataset (All data is removed with value 'Low' in column 'Quality').
-To apply this filter include `-lq` or `--low_quality` in your command.
-
-Multitask data
-""""""""""""""
-Multitask modelling is possible by passing multiple properties to the `-pr` argument. Furthermore, missing data can be
-imputed using the `-im` argument. You can combine any number of targets and combination of regression and classification
-tasks for the data preparation, however currently the DNN models do not support multitask modelling and only the random
-forest models and knn sklearn models are supported for multitask. The multitask sklearn modelling is only possible for 
-multiple regression task or multiple single class classification tasks. For multiple multi-class classification tasks or
-a combination of regression and classification tasks, the multitask modelling is not supported at the moment.
-
-..  code-block::
-
-    # input is in ./data/parkinsons_pivot.tsv
-        python -m qsprpred.data_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/data -pr GABAAalpha NMDA -r REG -sp random -sf 0.15 -fe Morgan -im mean
-
-Model Training
---------------
-
-Basics
-^^^^^^
-
-Finally, we need to indicate what models we want to train and which steps to take in the training.
-In this example, we will build regression random forest models through passing the prepared regression datasets files
-`GABAAalpha_REGRESSION` and `NMDA_REGRESSION` to the `-dp` argument. If you wish to train classification models, you
-can pass the classification datasets `GABAAalpha_CLASSIFICATION` and `NMDA_CLASSIFICATION` to the `-dp` argument
-(or any combination thereof). The model type is set with `-m`. 
-We will also evaluate the model through cross-validation (-me) and train the model on all data to save for further use (-s).
-
-..  code-block::
-
-    # Using the prepared datasets GABAAalpha_REGRESSION and NMDA_REGRESSION
-        python -m qsprpred.model_CLI -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -mt RF -me -s
-
-More
-^^^^
-The model training can be further customized with several CLI arguments.
-Here you can find a short overview.
-
-run settings arguments
-^^^^^^^^^^^^^^^^^^^^^^^
-As with the data preparation including `-de`, will print debug information to the log file. The random 
-seed can also be set manually (although identical results are not guaranteed while keeping
-the same random seed). Furthermore, the number of cpu's used for model training and the
-gpu number for training pytorch models can be set.
-
-..  code-block::
-
-    # Setting debug flag, random seed, number of cpu's and a specific gpu (for now multiple gpu's not possible)
-        python -m qsprpred.model_CLI -de -ran 42 -ncpu 5 -gpus [3] -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -mt RF -me -s
-
-model types
-"""""""""""
-You also need to indicate which models you want to run, out of the following model types:
-'RF' (Random Forest), 'XGB' (XGboost), 'SVM' (Support Vector Machine), 'PLS' (partial least squares regression),
-'KNN' (k-nearest neighbours), NB' (Naive Bayes) and/or 'DNN' (pytorch fully connected neural net).
-The default is to run all the different model types.
-
-..  code-block::
-
-    # Training a RF, SVM and PLS model
-        python -m qsprpred.model_CLI -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -me -s -mt RF SVM PLS
-
-Defining model parameters
-"""""""""""""""""""""""""
-Specific model parameters can be set with the parameters argument by passing a json file.
-
-./myparams.json
-..  code-block::
-
-    [["RF", {"max_depth": [null, 20, 50, 100],
-            "max_features": ["sqrt", "log2"],
-            "min_samples_leaf": [1, 3, 5]}],
-    ["KNN", {"n_neighbors" : [1, 5, 15, 25, 30],
-            "weights"      : ["uniform", "distance"]}]]
-
-..  code-block::
-
-    # Setting some parameter values for a Random Forest and k-nearest neighbours model
-        python -m qsprpred.model_CLI -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -mt RF KNN -me -s -p myparams
-
-Specifically for the training of the DNN model, you can set the tolerance and the patience from the CLI.
-Tolerance gives the mimimum decrease in loss needed to count as an improvement and 
-patience is the number of training epochs without improvement in loss to stop the training.
-
-..  code-block::
-
-    # Setting the tolerance and patience for training a DNN model
-        python -m qsprpred.model_CLI -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -mt DNN -me -s -tol 0.02 -pat 100
-
-Hyperparameter optimization
-"""""""""""""""""""""""""""
-In addition to setting model parameters manually, a hyperparameter search can be performed.
-In QSPRpred, two methods of hyperparameter optimization are implemented: grid search and 
-bayesian optimization. For baysian optimization also give the number of trials.
-The search space needs to be set using a json file, if this is not given then the default
-search space defined in qsprpred/models/search_space.json is used.
-A simple search space file for a RF and KNN model should look as given below.
-Note the indication of the model type as first list item and type of optimization algorithm
-as third list item. The search space file should always include all models to be trained.
-
-./mysearchspace.json
-..  code-block::
-
-    [["RF", {"max_depth": [null, 20, 50, 100],
-            "max_features": ["sqrt", "log2"],
-            "min_samples_leaf": [1, 3, 5]}, "grid"],
-    ["RF", {"n_estimators": ["int", 10, 2000],
-            "max_depth": ["int", 1, 100],
-            "min_samples_leaf": ["int", 1, 25]}, "bayes"],
-    ["KNN", {"n_neighbors" : [1, 5, 15, 25, 30],
-            "weights"      : ["uniform", "distance"]}, "grid"],
-    ["KNN", {"n_neighbors": ["int", 1, 100],
-            "weights": ["categorical", ["uniform", "distance"]],
-            "metric": ["categorical", ["euclidean","manhattan",
-                        "chebyshev","minkowski"]]}, "bayes"]]
-
-..  code-block::
-
-    # Bayesian optimization
-        python -m qsprpred.model_CLI -dp ./cli_tutorial/data/GABAAalpha_REGRESSION_df.pkl ./cli_tutorial/data/NMDA_REGRESSION_df.pkl -o ./cli_tutorial/models -mt RF -me -s -o bayes -nt 50 -ss mysearchspace -me -s
-
-Multitask modelling
-"""""""""""""""""""
-Multitask modelling is also possible. This means that the models are trained on multiple targets at once.
-The modelling arguments are the same as for single task modelling, you just need to specifiy the a multitask
-dataset data prefix (see multitask data preparation).
-
-
-Prediction
------------
-Furthermore, trained QSPRpred models can be used to predict values from SMILES from the command line interface :code:`predict_CLI.py`.
-
-Basics
-^^^^^^
-Here we will predict activity values for the A1 (GABAAalpha) and A3 receptor (NMDA) on the SMILES in the 
-dataset used in the previous examples using the models from the previous examples. The input `-i` here is the 
-set of SMILES for which we want to predict activity values. The argument `-mp`, is the paths to the meta files of the 
-models we want to use for prediction relative to the base-directory subfolder qspr/models.
-
-..  code-block::
-    
-    # input is in ./data/parkinsons_pivot.tsv
-    python -m qsprpred.predict_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/predictions/parkinsons_preds.tsv -mp ./cli_tutorial/models/RF_GABAAalpha_REGRESSION/RF_GABAAalpha_REGRESSION_meta.json ./cli_tutorial/models/RF_NMDA_REGRESSION/RF_NMDA_REGRESSION_meta.json
-
-More
-^^^^
-The predictions can be further customized with several CLI arguments.
-Here you can find a short overview.
-
-run settings arguments
-^^^^^^^^^^^^^^^^^^^^^^
-As with the data preparation including `-d`, will print debug information to the log file. The random 
-seed can also be set manually (although identical results are not guaranteed while keeping
-the same random seed). The output file name can be set. Furthermore, the number of cpu's used for model prediction and the
-gpu number for prediction with pytorch models can be set.
-
-..  code-block::
-
-    # Setting debug flag, random seed, output file name, number of cpu's and a specific gpu (for now multiple gpu's not possible)
-        python -m qsprpred.predict_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/predictions/parkinsons_preds.tsv -mp ./cli_tutorial/models/RF_GABAAalpha_REGRESSION/RF_GABAAalpha_REGRESSION_meta.json ./cli_tutorial/models/RF_NMDA_REGRESSION/RF_NMDA_REGRESSION_meta.json -o mypredictions -de -ran 42 -ncpu 5 -gpus [3]
-
-    
-Adding probability predictions
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-When using a classification model, the probability of the predicted class can be added to the output file using the `-pr` flag.
-
-..  code-block::
-    
-    # Do not standardize and sanitize SMILES
-    python -m qsprpred.predict_CLI -i ./data/parkinsons_pivot.tsv -o ./cli_tutorial/predictions/parkinsons_preds.tsv -mp ./cli_tutorial/models/RF_GABAAalpha_SINGLECLASS/RF_GABAAalpha_SINGLECLASS_meta.json ./cli_tutorial/models/RF_NMDA_MULTICLASS/RF_NMDA_MULTICLASS_meta.json -pr
-
diff --git a/figures/QSPRpred_workflow.png b/figures/QSPRpred_workflow.png
index 45eabd28..185ca864 100644
Binary files a/figures/QSPRpred_workflow.png and b/figures/QSPRpred_workflow.png differ
diff --git a/pyproject.toml b/pyproject.toml
index bd31e7fb..85789d94 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -10,24 +10,24 @@ readme = { file = "README.md", content-type = "text/markdown" }
 requires-python = ">=3.10"
 license = { file = "LICENSE" }
 keywords = ["qsar", "machine learning", "cheminformatics"]
-authors = [{name = "Helle van den Maagdenberg", email = "h.w.van.den.maagdenberg@lacdr.leidenuniv.nl"},
-           {name = "Linde Schoenmaker", email = "l.schoenmaker@lacdr.leidenuniv.nl"},
-           {name = "Martin Sicho", email = "m.sicho@lacdr.leidenuniv.nl"},
-           {name = "David Araripe", email = "d.figueiredo.vidal@lacdr.leidenuniv.nl"},
-           {name = "Sohvi Luukkonen", email = "s.luukkonen@lacdr.leidenuniv.nl"},
-           {name = "Olivier Béquignon", email = "o.j.m.bequignon@lacdr.leidenuniv.nl"},
-           {name = "Marina Gorostiola Gonzalez", email = "m.gorostiola.gonzalez@lacdr.leidenuniv.nl"},
-           {name = "Remco van den Broek", email = "r.l.van.den.broek@umail.leidenuniv.nl"},
-           {name = "Gerard van Westen", email = "gerard@lacdr.leidenuniv.nl"}]
-maintainers = [{name = "Helle van den Maagdenberg", email = "h.w.van.den.maagdenberg@lacdr.leidenuniv.nl"},
-               {name = "Linde Schoenmaker", email = "l.schoenmaker@lacdr.leidenuniv.nl"}, 
-               {name = "Martin Sicho", email = "m.sicho@lacdr.leidenuniv.nl"},
-               {name = "David Araripe", email = "d.figueiredo.vidal@lacdr.leidenuniv.nl"},
-               {name = "Sohvi Luukkonen", email = "s.luukkonen@lacdr.leidenuniv.nl"},
-               {name = "Olivier Béquignon", email = "o.j.m.bequignon@lacdr.leidenuniv.nl"}, 
-               {name = "Marina Gorostiola Gonzalez", email = "m.gorostiola.gonzalez@lacdr.leidenuniv.nl"},
-               {name = "Remco van den Broek", email = "r.l.van.den.broek@umail.leidenuniv.nl"},
-               {name = "Gerard van Westen", email = "gerard@lacdr.leidenuniv.nl"}]
+authors = [{ name = "Helle van den Maagdenberg", email = "h.w.van.den.maagdenberg@lacdr.leidenuniv.nl" },
+    { name = "Linde Schoenmaker", email = "l.schoenmaker@lacdr.leidenuniv.nl" },
+    { name = "Martin Sicho", email = "m.sicho@lacdr.leidenuniv.nl" },
+    { name = "David Araripe", email = "d.figueiredo.vidal@lacdr.leidenuniv.nl" },
+    { name = "Sohvi Luukkonen", email = "s.luukkonen@lacdr.leidenuniv.nl" },
+    { name = "Olivier Béquignon", email = "o.j.m.bequignon@lacdr.leidenuniv.nl" },
+    { name = "Marina Gorostiola Gonzalez", email = "m.gorostiola.gonzalez@lacdr.leidenuniv.nl" },
+    { name = "Remco van den Broek", email = "r.l.van.den.broek@umail.leidenuniv.nl" },
+    { name = "Gerard van Westen", email = "gerard@lacdr.leidenuniv.nl" }]
+maintainers = [{ name = "Helle van den Maagdenberg", email = "h.w.van.den.maagdenberg@lacdr.leidenuniv.nl" },
+    { name = "Linde Schoenmaker", email = "l.schoenmaker@lacdr.leidenuniv.nl" },
+    { name = "Martin Sicho", email = "m.sicho@lacdr.leidenuniv.nl" },
+    { name = "David Araripe", email = "d.figueiredo.vidal@lacdr.leidenuniv.nl" },
+    { name = "Sohvi Luukkonen", email = "s.luukkonen@lacdr.leidenuniv.nl" },
+    { name = "Olivier Béquignon", email = "o.j.m.bequignon@lacdr.leidenuniv.nl" },
+    { name = "Marina Gorostiola Gonzalez", email = "m.gorostiola.gonzalez@lacdr.leidenuniv.nl" },
+    { name = "Remco van den Broek", email = "r.l.van.den.broek@umail.leidenuniv.nl" },
+    { name = "Gerard van Westen", email = "gerard@lacdr.leidenuniv.nl" }]
 classifiers = [
     "Development Status :: 4 - Beta",
     "Operating System :: OS Independent", # We tested it on Mac and Windows as well?
@@ -39,6 +39,7 @@ classifiers = [
 ]
 dependencies = [
     "parameterized",
+    "pebble",
     "numpy >= 1.19, <1.24.0",
     "scikit-learn >= 1.0.2",
     "pandas >= 1.2.2",
@@ -50,21 +51,24 @@ dependencies = [
     "xgboost",
     "boruta",
     "tqdm",
-    "sklearn-json @ git+https://github.com/OlivierBeq/sklearn-json.git#egg=sklearn-json",
+    "ml2json @ git+https://github.com/HellevdM/ml2json.git",
+    "jsonpickle",
     "papyrus_scripts @ git+https://github.com/OlivierBeq/Papyrus-scripts.git",
     "gbmt-splits @ git+https://github.com/sohviluukkonen/gbmt-splits@0.0.4",
+    "mlchemad",
+    "mols2grid"
 ]
 
 [project.optional-dependencies]
 
 extra = [
-  "mold2-pywrapper @ git+https://github.com/OlivierBeq/Mold2_pywrapper.git@master",
-  "padel-pywrapper >= 1.0.2.post1", "Mordred", "biopython", "prodec", "Signature-pywrapper",
+    "mold2-pywrapper @ git+https://github.com/OlivierBeq/Mold2_pywrapper.git@master",
+    "padel-pywrapper >= 1.0.2.post1", "Mordred", "biopython", "prodec", "Signature-pywrapper",
 ]
 pyboost = ["py-boost"]
 deep = ["torch >= 1.7.0", "chemprop >= 1.6.0"]
-full = [ "qsprpred[pyboost]", "qsprpred[deep]", "qsprpred[extra]" ]
-dev = [ "qsprpred[full]", "pre-commit", "isort", "yapf", "ruff" ]
+full = ["qsprpred[pyboost]", "qsprpred[deep]", "qsprpred[extra]"]
+dev = ["qsprpred[full]", "pre-commit", "isort", "yapf", "ruff", "pytest"]
 
 [tool.setuptools.packages.find]
 where = ["."]
@@ -94,103 +98,105 @@ src_paths = ["qsprpred"]
 known_first_party = 'qsprpred'
 
 [tool.ruff]
- line-length = 88
- target-version = "py39"
- fix = true
- fixable = ["A", "B", "C", "D", "E", "F", "G", "I", "N", "Q", "S", "T", "W", "ANN", "ARG", "BLE", "COM", "DJ", "DTZ", "EM", "ERA", "EXE", "FBT", "ICN", "INP", "ISC", "NPY", "PD", "PGH", "PIE", "PL", "PT", "PTH", "PYI", "RET", "RSE", "RUF", "SIM", "SLF", "TCH", "TID", "TRY", "UP", "YTT"]
- unfixable = []
+line-length = 88
+target-version = "py39"
+fix = true
+fixable = ["A", "B", "C", "D", "E", "F", "G", "I", "N", "Q", "S", "T", "W", "ANN", "ARG", "BLE", "COM", "DJ", "DTZ", "EM", "ERA", "EXE", "FBT", "ICN", "INP", "ISC", "NPY", "PD", "PGH", "PIE", "PL", "PT", "PTH", "PYI", "RET", "RSE", "RUF", "SIM", "SLF", "TCH", "TID", "TRY", "UP", "YTT"]
+unfixable = []
 
- # inspired by the configuration used in the pandas project
- select = [
-   # pyflakes
-   "F",
-   # pycodestyle
-   "E", "W",
-   # flake8-2020
-   "YTT",
-   # flake8-bugbear
-   "B",
-   # flake8-quotes
-   "Q",
-   # flake8-debugger
-   "T10",
-   # flake8-gettext
-   "INT",
-   # pylint
-   "PLC", "PLE", "PLR", "PLW",
-   # misc lints
-   "PIE",
-   # flake8-pyi
-   "PYI",
-   # tidy imports
-   "TID",
-   # implicit string concatenation
-   "ISC",
-   # type-checking imports
-   "TCH",
-   # comprehensions
-   "C4",
-   # pygrep-hooks
-   "PGH",
-   # Ruff-specific rules
-   "RUF",
- ]
+# inspired by the configuration used in the pandas project
+select = [
+    # pyflakes
+    "F",
+    # pycodestyle
+    "E", "W",
+    # flake8-2020
+    "YTT",
+    # flake8-bugbear
+    "B",
+    # flake8-quotes
+    "Q",
+    # flake8-debugger
+    "T10",
+    # flake8-gettext
+    "INT",
+    # pylint
+    "PLC", "PLE", "PLR", "PLW",
+    # misc lints
+    "PIE",
+    # flake8-pyi
+    "PYI",
+    # tidy imports
+    "TID",
+    # implicit string concatenation
+    "ISC",
+    # type-checking imports
+    "TCH",
+    # comprehensions
+    "C4",
+    # pygrep-hooks
+    "PGH",
+    # Ruff-specific rules
+    "RUF",
+]
 
- ignore = [
-   # we decided on having relative rather than absolute imports
-   "TID252",
-   # module level import not at top of file
-   "E402",
-   # do not assign a lambda expression, use a def
-   "E731",
-   # controversial
-   "B006",
-   # controversial
-   "B007",
-   # controversial
-   "B008",
-   # tests use assert False
-   "B011",
-   # tests use comparisons but not their returned value
-   "B015",
-   # false positives
-   "B019",
-   # Loop control variable overrides iterable it iterates
-   "B020",
-   # Function definition does not bind loop variable
-   "B023",
-   # Only works with python >=3.10
-   "B905",
-   # Too many arguments to function call
-   "PLR0913",
-   # Too many returns
-   "PLR0911",
-   # Too many branches
-   "PLR0912",
-   # Too many statements
-   "PLR0915",
-   # Redefined loop name
-   "PLW2901",
-   # Global statements are discouraged
-   "PLW0603",
-   # Docstrings should not be included in stubs
-   "PYI021",
-   # No builtin `eval()` allowed
-   "PGH001",
-   # compare-to-empty-string
-   "PLC1901",
-   # pairwise-over-zipped (>=PY310 only)
-   "RUF007",
-   # Within an except clause, raise exceptions with ...
-   "B904",
-   # Use "collections.abc.*" instead of "typing.*" (PEP 585 syntax)
-   # "PYI027",  # not yet implemented
-   # while int | float can be shortened to float, the former is more explicit
-   # "PYI041",  # not yet implemented
- ]
+ignore = [
+    # line length - somes lines are just too long
+    "E501",
+    # we decided on having relative rather than absolute imports
+    "TID252",
+    # module level import not at top of file
+    "E402",
+    # do not assign a lambda expression, use a def
+    "E731",
+    # controversial
+    "B006",
+    # controversial
+    "B007",
+    # controversial
+    "B008",
+    # tests use assert False
+    "B011",
+    # tests use comparisons but not their returned value
+    "B015",
+    # false positives
+    "B019",
+    # Loop control variable overrides generator it iterates
+    "B020",
+    # Function definition does not bind loop variable
+    "B023",
+    # Only works with python >=3.10
+    "B905",
+    # Too many arguments to function call
+    "PLR0913",
+    # Too many returns
+    "PLR0911",
+    # Too many branches
+    "PLR0912",
+    # Too many statements
+    "PLR0915",
+    # Redefined loop name
+    "PLW2901",
+    # Global statements are discouraged
+    "PLW0603",
+    # Docstrings should not be included in stubs
+    "PYI021",
+    # No builtin `eval()` allowed
+    "PGH001",
+    # compare-to-empty-string
+    "PLC1901",
+    # pairwise-over-zipped (>=PY310 only)
+    "RUF007",
+    # Within an except clause, raise exceptions with ...
+    "B904",
+    # Use "collections.abc.*" instead of "typing.*" (PEP 585 syntax)
+    # "PYI027",  # not yet implemented
+    # while int | float can be shortened to float, the former is more explicit
+    # "PYI041",  # not yet implemented
+]
 
 # Esclude a variety of commonly ignored dictionaries
- exclude = [
+exclude = [
     "docs/*.py",
     ".bzr",
     ".direnv",
diff --git a/qsprpred/__init__.py b/qsprpred/__init__.py
index f296898a..c81dc58b 100644
--- a/qsprpred/__init__.py
+++ b/qsprpred/__init__.py
@@ -2,11 +2,13 @@
 
 from rdkit import rdBase
 
+from .tasks import ModelTasks, TargetTasks, TargetProperty
+
 rdBase.DisableLog("rdApp.error")
 rdBase.DisableLog("rdApp.info")
 rdBase.DisableLog("rdApp.warning")
 
-__version__ = "2.1.0"
+__version__ = "3.0.0"
 if os.path.exists(os.path.join(os.path.dirname(__file__), "_version.py")):
     from ._version import version
 
diff --git a/qsprpred/benchmarks/__init__.py b/qsprpred/benchmarks/__init__.py
new file mode 100644
index 00000000..29c5a99a
--- /dev/null
+++ b/qsprpred/benchmarks/__init__.py
@@ -0,0 +1,4 @@
+from .replica import Replica
+from .runner import BenchmarkRunner
+from .settings.benchmark import BenchmarkSettings
+from .settings.data_prep import DataPrepSettings
diff --git a/qsprpred/benchmarks/replica.py b/qsprpred/benchmarks/replica.py
new file mode 100644
index 00000000..73dd7746
--- /dev/null
+++ b/qsprpred/benchmarks/replica.py
@@ -0,0 +1,264 @@
+import json
+import os
+from copy import deepcopy
+
+import numpy as np
+import pandas as pd
+
+from qsprpred.models.assessment.methods import ModelAssessor
+from .settings.benchmark import DataPrepSettings
+from ..data import QSPRDataset
+from ..data.descriptors.sets import DescriptorSet
+from ..data.sources.data_source import DataSource
+from ..logs import logger
+from ..models.hyperparam_optimization import HyperparameterOptimization
+from ..models.models import QSPRModel
+from ..models.monitors import NullMonitor
+from ..tasks import TargetProperty
+from ..utils.serialization import JSONSerializable
+
+
+class Replica(JSONSerializable):
+    """Class that determines settings for a single replica of a benchmarking run.
+
+    Attributes:
+        idx (int):
+            Index of the replica. This is not an identifier, but rather a number
+            that indicates the order of the replica in the benchmarking run.
+        name (str):
+            Name of the replica.
+        dataSource (DataSource):
+            Data source to use.
+        descriptors (list[DescriptorSet]):
+            Descriptor sets to use.
+        targetProps (list[TargetProperty]):
+            Target properties to use.
+        prepSettings (DataPrepSettings):
+            Data preparation settings to use.
+        model (QSPRModel):
+            Current model. Use `initModel` to prepare it.
+        optimizer (HyperparameterOptimization):
+            Hyperparameter optimizer to use.
+        assessors (list[ModelAssessor]):
+            Model assessors to use.
+        randomSeed (int):
+            Random seed to use for all random operations withing the replica.
+        ds (QSPRDataset):
+            Initialized data set. Only available after `initData` has been called.
+        results (pd.DataFrame):
+            Results from the replica. Only available after
+            `runAssessment` has been called.
+    """
+
+    _notJSON = JSONSerializable._notJSON + ["ds", "results", "model"]
+
+    def __init__(
+        self,
+        idx: int,
+        name: str,
+        data_source: DataSource,
+        descriptors: list[DescriptorSet],
+        target_props: list[TargetProperty],
+        prep_settings: DataPrepSettings,
+        model: QSPRModel,
+        optimizer: HyperparameterOptimization,
+        assessors: list[ModelAssessor],
+        random_seed: int,
+    ):
+        self.idx = idx
+        self.name = name
+        self.dataSource = data_source
+        self.descriptors = descriptors
+        self.targetProps = target_props
+        self.prepSettings = prep_settings
+        self.optimizer = optimizer
+        self.assessors = assessors
+        self.randomSeed = random_seed
+        self.ds = None
+        self.results = None
+        self.model = deepcopy(model)
+        self.model.name = self.id
+        self.model.save()
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["model"] = self.model.save()
+        o_dict["ds"] = None
+        o_dict["results"] = None
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.model = QSPRModel.fromFile(state["model"])
+        self.ds = None
+        self.results = None
+
+    def __str__(self):
+        return self.id
+
+    @property
+    def id(self) -> str:
+        """A unique identifier for the replica.
+
+        Returns:
+            str:
+                A unique identifier for the replica.
+        """
+        return f"{self.name}_{self.randomSeed}"
+
+    def initData(self, reload=False):
+        """Initializes the data set for this replica.
+
+        Args:
+            reload (bool, optional):
+                Whether to overwrite all existing data and
+                reinitialize from scratch. Defaults to `False`.
+        """
+        self.ds = self.dataSource.getDataSet(
+            deepcopy(self.targetProps),
+            overwrite=reload,
+            random_state=self.randomSeed,
+        )
+
+    def addDescriptors(self, reload: bool = False):
+        """Adds descriptors to the current data set. Make sure to call
+        `initData` first to get it from the source.
+
+        Args:
+            reload (bool, optional):
+                Whether to overwrite all existing data and
+                reinitialize from scratch. Defaults to `False`.
+
+        Raises:
+            ValueError:
+                If the data set has not been initialized.
+        """
+        if self.ds is None:
+            raise ValueError("Data set not initialized. Call initData first.")
+        desc_id = "_".join(sorted([str(d) for d in self.descriptors]))
+        self.ds.name = f"{self.ds.name}_{desc_id}"
+        # attempt to load the data set with descriptors
+        if os.path.exists(self.ds.metaFile) and not reload:
+            logger.info(f"Reloading existing {self.ds.name} from cache...")
+            self.ds = QSPRDataset.fromFile(self.ds.metaFile)
+            self.ds.setRandomState(self.randomSeed)
+            self.ds.setTargetProperties(deepcopy(self.targetProps))
+        else:
+            logger.info(f"Data set {self.ds.name} not yet found. It will be created.")
+            # calculate descriptors if necessary
+            logger.info(f"Calculating descriptors for {self.ds.name}.")
+            self.ds.addDescriptors(deepcopy(self.descriptors), recalculate=True)
+            self.ds.setTargetProperties(deepcopy(self.targetProps))
+            self.ds.setRandomState(self.randomSeed)
+            self.ds.save()
+
+    def prepData(self):
+        """Prepares the data set for this replica.
+
+        Raises:
+            ValueError:
+                If the data set has not been initialized.
+        """
+        if self.ds is None:
+            raise ValueError("Data set not initialized. Call initData first.")
+        self.ds.prepareDataset(
+            **deepcopy(self.prepSettings.__dict__),
+        )
+
+    def initModel(self):
+        """Initializes the model for this replica. This includes
+        initializing the model from the data set and optimizing
+        the hyperparameters if an optimizer is specified.
+
+        Raises:
+            ValueError:
+                If the data set has not been initialized.
+        """
+        if self.ds is None:
+            raise ValueError("Data set not initialized. Call initData first.")
+        self.model.initFromDataset(self.ds)
+        self.model.initRandomState(self.randomSeed)
+        if self.optimizer is not None:
+            self.optimizer.optimize(self.model, self.ds)
+        self.model.save()
+
+    def runAssessment(self):
+        """Runs the model assessment for this replica. This includes
+        running all model assessors and saving the results.
+
+        The results are saved in the `results` attribute. They can be
+        accessed by calling `createReport`, which combines the relevant information
+        from the replica and the results into one `pd.DataFrame`.
+
+        Raises:
+            ValueError:
+                If the model has not been initialized.
+        """
+        if self.ds is None:
+            raise ValueError("Data set not initialized. Call initData first.")
+        if self.model is None:
+            raise ValueError("Model not initialized. Call initModel first.")
+        self.results = None
+        for assessor in self.assessors:
+            scores = assessor(self.model, self.ds, save=True)
+            if isinstance(scores, float):
+                scores = np.array([scores])
+            scores_df = pd.DataFrame()
+            for i, fold_score in enumerate(scores):
+                if isinstance(fold_score, float):
+                    if self.model.isMultiTask:
+                        tp = self.targetProps[i]
+                    else:
+                        tp = self.targetProps[0]
+                    score_df = pd.DataFrame(
+                        {
+                            "Assessor": [assessor.__class__.__name__],
+                            "ScoreFunc": [assessor.scoreFunc.name],
+                            "Score": [fold_score],
+                            "TargetProperty": [tp.name],
+                            "TargetTask": [tp.task.name],
+                        }
+                    )
+                    scores_df = pd.concat([scores_df, score_df])
+                else:
+                    for tp_score, tp in zip(fold_score, self.targetProps):
+                        score_df = pd.DataFrame(
+                            {
+                                "Assessor": [assessor.__class__.__name__],
+                                "ScoreFunc": [assessor.scoreFunc.name],
+                                "Score": [tp_score],
+                                "TargetProperty": [tp.name],
+                                "TargetTask": [tp.task.name],
+                            }
+                        )
+                        scores_df = pd.concat([scores_df, score_df])
+            if self.results is None:
+                self.results = scores_df
+            else:
+                self.results = pd.concat([self.results, scores_df])
+
+    def createReport(self):
+        """Creates a report from the results of this replica.
+
+        Returns:
+            pd.DataFrame:
+                A `pd.DataFrame` with the results of this replica.
+
+        Raises:
+            ValueError:
+                If the results have not been calculated.
+        """
+        if self.results is None:
+            raise ValueError("Results not available. Call runAssessment first.")
+        results = self.results.copy()
+        results["ModelFile"] = self.model.metaFile
+        results["Algorithm"] = self.model.alg.__name__
+        results["AlgorithmParams"] = json.dumps(self.model.parameters)
+        results["ReplicaID"] = self.id
+        results["DataSet"] = self.ds.name
+        out_file = f"{self.model.outPrefix}_replica.json"
+        for assessor in self.assessors:
+            # FIXME: some problems in monitor serialization now prevent this
+            assessor.monitor = NullMonitor()
+        results["ReplicaFile"] = self.toFile(out_file)
+        return results
diff --git a/qsprpred/benchmarks/runner.py b/qsprpred/benchmarks/runner.py
new file mode 100644
index 00000000..a15c03dd
--- /dev/null
+++ b/qsprpred/benchmarks/runner.py
@@ -0,0 +1,373 @@
+import itertools
+import logging
+import os
+import random
+import traceback
+from concurrent.futures import ProcessPoolExecutor
+from multiprocessing import Lock
+from typing import Generator
+
+import pandas as pd
+
+from .replica import Replica
+from .settings.benchmark import BenchmarkSettings
+from ..logs import logger
+
+lock_data = Lock()
+lock_report = Lock()
+
+
+class BenchmarkRunner:
+    """Class that runs benchmarking experiments as defined by
+    `BenchmarkSettings`. It translates the settings into
+    a list of `Replica` objects with its `iterReplicas` method and
+    runs them in parallel. Each replica is processed by the `runReplica`
+    method.
+
+    The report from each replica is appended to a `resultsFile`, which
+    is read and returned by the `run` method after the runners is finished
+    with all replicas. All outputs generated by the replicas and the `BenchmarkSettings`
+    used are saved in the `dataDir`.
+
+    The random seed for each replica is determined in a pseudo-random way from
+     `BenchmarkSettings.random_seed`. The `getSeedList` method is used to generate
+     a list of seeds from this 'master' seed. There are some caveats to this method
+     (see the docstring of `getSeedList`).
+
+    Attributes:
+        settings (BenchmarkSettings):
+            Benchmark settings.
+        nProc (int):
+            Number of processes to use.
+        resultsFile (str):
+            Path to the results file.
+        dataDir (str):
+            Path to the directory to store data.
+
+    """
+
+    class ReplicaException(Exception):
+        """Custom exception for errors in a replica.
+
+        Attributes:
+            replicaID (int):
+                ID of the replica that caused the error.
+            exception (Exception):
+                Exception that was raised.
+        """
+
+        def __init__(self, replica_id: str, exception: Exception):
+            """Initialize the exception.
+
+            Args:
+                replica_id (str):
+                    ID of the replica that caused the error.
+                exception (Exception):
+                    Exception that was raised.
+            """
+            self.replicaID = replica_id
+            self.exception = exception
+
+    logLevel = logging.WARNING
+
+    def __init__(
+        self,
+        settings: BenchmarkSettings,
+        n_proc: int | None = None,
+        data_dir: str = "./data",
+        results_file: str | None = None,
+    ):
+        """Initialize the runner.
+
+        Args:
+            settings (BenchmarkSettings):
+                Benchmark settings.
+            n_proc (int, optional):
+                Number of processes to use. Defaults to os.cpu_count().
+            data_dir (str, optional):
+                Path to the directory to store data. Defaults to "./data".
+                If the directory does not exist, it will be created.
+            results_file (str, optional):
+                Path to the results file. Defaults to "{data_dir}/data/results.tsv".
+        """
+        logger.debug("Initializing BenchmarkRunner...")
+        self.settings = settings
+        self.nProc = n_proc or os.cpu_count()
+        self.dataDir = data_dir
+        self.resultsFile = results_file if results_file else f"{data_dir}/results.tsv"
+        os.makedirs(self.dataDir, exist_ok=True)
+        logger.debug(f"Saving settings to: {self.dataDir}/settings.json")
+        self.settings.toFile(f"{self.dataDir}/settings.json")
+
+    @property
+    def nRuns(self) -> int:
+        """Returns the total number of benchmarking runs. This is the product
+        of the number of replicas, data sources, descriptors, target properties,
+        data preparation settings and models as defined in the `BenchmarkSettings`.
+
+        Returns:
+            int:
+                Total number of benchmarking runs.
+        """
+        benchmark_settings = self.settings
+        benchmark_settings.checkConsistency()
+        ret = (
+            benchmark_settings.n_replicas
+            * len(benchmark_settings.data_sources)
+            * len(benchmark_settings.descriptors)
+            * len(benchmark_settings.target_props)
+            * len(benchmark_settings.prep_settings)
+            * len(benchmark_settings.models)
+        )
+        if len(benchmark_settings.optimizers) > 0:
+            ret *= len(benchmark_settings.optimizers)
+        return ret
+
+    def run(self, raise_errors=False) -> pd.DataFrame:
+        """Runs the benchmarking experiments.
+
+        Args:
+            raise_errors (bool, optional):
+                Whether to raise the first encountered `ReplicaException`
+                and stop the benchmarking run. Defaults to `False`,
+                in which case replicas that raise an exception are skipped
+                and errors are logged.
+
+        Returns:
+            pd.DataFrame:
+                Results from the benchmarking experiments.
+        """
+        logger.debug(f"Performing {self.nRuns} replica runs...")
+        with ProcessPoolExecutor(max_workers=self.nProc) as executor:
+            for result in executor.map(
+                self.runReplica, self.iterReplicas(), itertools.repeat(self.resultsFile)
+            ):
+                if isinstance(result, self.ReplicaException):
+                    if raise_errors:
+                        raise result.exception
+                    else:
+                        logger.error(
+                            f"Error in replica {result.replicaID}: {result.exception}"
+                        )
+                else:
+                    logger.debug(f"Return success from replica: {result}")
+        logger.debug("Finished all replica runs.")
+        return pd.read_table(self.resultsFile)
+
+    def getSeedList(self, seed: int | None = None) -> list[int]:
+        """
+        Get a list of seeds for the replicas from one 'master' randomSeed.
+        The list of seeds is generated by sampling from the range of
+        possible seeds (0 to 2^32 - 1) with the given randomSeed as the random
+        randomSeed for the random module. This means that the list of seeds
+        will be the same for each run of the benchmarking experiment
+        with the same 'master' randomSeed. This is useful for reproducibility,
+        but it also avoids recalculating replicas that were already calculated.
+
+        Caveat: If the randomSeed in `BenchmarkSettings.randomSeed` is the same, but
+        the number of replicas is different (i.e. the settings themselves change)
+        then this code will still generate the same seeds for experiments that
+        might not overlap with previous experiments. Therefore, take this into account
+        when you already calculated some replicas, but decided to change your experiment
+        settings.
+
+        Args:
+            seed (int, optional):
+                'Master' randomSeed. Defaults to `BenchmarkSettings.randomSeed`.
+
+        Returns:
+            list[int]:
+                list of seeds for the replicas
+        """
+        seed = seed or self.settings.random_seed
+        random.seed(seed)
+        return random.sample(range(2**32 - 1), self.nRuns)
+
+    def iterReplicas(self) -> Generator[Replica, None, None]:
+        """Generator that yields `Replica` objects for each benchmarking run.
+        This is done by iterating over the product of the data sources, descriptors,
+        target properties, data preparation settings, models and optimizers as defined
+        in the `BenchmarkSettings`. The random randomSeed for each replica is determined
+        in a pseudo-random way from `BenchmarkSettings.randomSeed` via
+        the `getSeedList` method.
+
+        Yields:
+            Generator[Replica, None, None]:
+                `Replica` objects for each benchmarking run.
+        """
+        benchmark_settings = self.settings
+        benchmark_settings.checkConsistency()
+        indices = [x + 1 for x in range(benchmark_settings.n_replicas)]
+        optimizers = (
+            benchmark_settings.optimizers
+            if len(benchmark_settings.optimizers) > 0
+            else [None]
+        )
+        product = itertools.product(
+            indices,
+            [benchmark_settings.name],
+            benchmark_settings.data_sources,
+            benchmark_settings.descriptors,
+            benchmark_settings.target_props,
+            benchmark_settings.prep_settings,
+            benchmark_settings.models,
+            optimizers,
+        )
+        seeds = self.getSeedList(benchmark_settings.random_seed)
+        for idx, settings in enumerate(product):
+            yield self.makeReplica(
+                *settings,
+                random_seed=seeds[idx],
+                assessors=benchmark_settings.assessors,
+            )
+
+    def makeReplica(self, *args, **kwargs) -> Replica:
+        """Returns a `Replica` object for the given settings. This is useful
+        for debugging.
+
+        Returns:
+            Replica:
+                Replica object.
+        """
+        return Replica(*args, **kwargs)
+
+    @classmethod
+    def getLoggerForReplica(cls, replica: Replica, level: int = logging.DEBUG):
+        """Returns a logger for the given replica.
+
+        Args:
+            replica (Replica):
+                Replica to get the logger for.
+            level (int, optional):
+                Log level. Defaults to logging.DEBUG.
+        """
+        replica_logger = logging.getLogger(replica.id)
+        if len(replica_logger.handlers) > 0:
+            return replica_logger
+        replica_logger.setLevel(level)
+        sh = logging.StreamHandler()
+        formatter = logging.Formatter("%(name)s - %(levelname)s - %(message)s")
+        sh.setFormatter(formatter)
+        sh.setLevel(level)
+        replica_logger.addHandler(sh)
+        return replica_logger
+
+    @classmethod
+    def checkReplicaInResultsFile(cls, replica: Replica, results_file: str) -> bool:
+        """Checks if the replica is already present in the results file.
+        This method is thread-safe.
+
+        Args:
+            replica (Replica):
+                Replica to check.
+            results_file (str):
+                Path to the results file.
+
+        Returns:
+            bool:
+                Whether the replica is already present in the results file.
+        """
+        if not os.path.exists(results_file):
+            return False
+        df_results = pd.read_table(results_file)
+        return df_results.ReplicaID.isin([replica.id]).any()
+
+    @classmethod
+    def replicaToReport(cls, replica: Replica) -> pd.DataFrame:
+        """Converts a replica to a report.
+
+        Args:
+            replica (Replica):
+                Replica to convert.
+
+        Returns:
+            pd.DataFrame:
+                Report from the replica.
+        """
+        return replica.createReport()
+
+    @classmethod
+    def appendReportToResults(cls, df_report: pd.DataFrame, results_file: str):
+        """Appends a report to the results file. This method is thread-safe.
+
+        Args:
+            df_report (pd.DataFrame):
+                Report to append.
+            results_file (str):
+                Path to the results file.
+        """
+        df_report.to_csv(
+            results_file,
+            sep="\t",
+            index=False,
+            mode="a",
+            header=not os.path.exists(results_file),
+        )
+
+    @classmethod
+    def initData(cls, replica: Replica):
+        """Initializes the data set for this replica.
+        This method is thread-safe.
+
+        Args:
+            replica (Replica):
+                Replica to initialize.
+        """
+        logger = cls.getLoggerForReplica(replica, cls.logLevel)
+        logger.debug("Initializing data set...")
+        replica.initData()
+        logger.debug("Done.")
+        logger.debug("Adding descriptors...")
+        replica.addDescriptors()
+        logger.debug("Done.")
+
+    @classmethod
+    def runReplica(cls, replica: Replica, results_file: str) -> str | ReplicaException:
+        """Runs a single replica. This is executed in parallel by the `run` method.
+        It is a classmethod so that it can be pickled and executed in parallel
+        more easily.
+
+        Args:
+            replica (Replica):
+                Replica to run.
+            results_file (str):
+                Path to the results file.
+
+        Returns:
+            str | ReplicaException:
+                ID of the replica that was run or a `ReplicaException` if an error
+                was encountered.
+        """
+        logger = cls.getLoggerForReplica(replica, cls.logLevel)
+        logger.debug(f"Starting replica: {replica.id}")
+        try:
+            with lock_data:
+                logger.debug(f"Checking {replica.id} in results file: {results_file}")
+                if cls.checkReplicaInResultsFile(replica, results_file):
+                    logger.warning(f"Skipping {replica.id}. Already in results file.")
+                    return replica.id
+                logger.debug("Initializing data...")
+                cls.initData(replica)
+                logger.debug("Done.")
+            logger.debug("Preparing data set...")
+            replica.prepData()
+            logger.debug("Done.")
+            logger.debug("Initializing model...")
+            replica.initModel()
+            logger.debug("Done.")
+            logger.debug("Running assessments...")
+            replica.runAssessment()
+            logger.debug("Done.")
+            logger.debug("Creating report...")
+            df_report = cls.replicaToReport(replica)
+            logger.debug("Done.")
+            with lock_report:
+                logger.debug(f"Adding report to: {results_file}")
+                cls.appendReportToResults(df_report, results_file)
+                logger.debug("Done.")
+            logger.debug(f"Finished replica: {replica.id}")
+            return replica.id
+        except Exception as e:
+            logger.error(f"Error in replica '{replica}': {e}")
+            traceback.print_exception(type(e), e, e.__traceback__)
+            return cls.ReplicaException(replica.id, e)
diff --git a/qsprpred/data/utils/__init__.py b/qsprpred/benchmarks/settings/__init__.py
similarity index 100%
rename from qsprpred/data/utils/__init__.py
rename to qsprpred/benchmarks/settings/__init__.py
diff --git a/qsprpred/benchmarks/settings/benchmark.py b/qsprpred/benchmarks/settings/benchmark.py
new file mode 100644
index 00000000..79dd16d3
--- /dev/null
+++ b/qsprpred/benchmarks/settings/benchmark.py
@@ -0,0 +1,77 @@
+from dataclasses import dataclass
+from typing import ClassVar
+
+from qsprpred.models.assessment.methods import ModelAssessor
+from .data_prep import DataPrepSettings
+from ...data.descriptors.sets import DescriptorSet
+from ...data.sources.data_source import DataSource
+from ...models.hyperparam_optimization import HyperparameterOptimization
+from ...models.models import QSPRModel
+from ...tasks import TargetProperty
+from ...utils.serialization import JSONSerializable
+
+
+@dataclass
+class BenchmarkSettings(JSONSerializable):
+    """Class that determines settings for a benchmarking run.
+
+    Attributes:
+        name (str):
+            Name of the benchmarking run.
+        n_replicas (int):
+            Number of replicas to run.
+        random_seed (int):
+            Random seed to use.
+        data_sources (list[DataSource]):
+            Data sources to use.
+        descriptors (list[list[DescriptorSet]]):
+            Descriptor sets to use.
+        target_props (list[list[TargetProperty]]):
+            Target properties to use.
+        prep_settings (list[DataPrepSettings]):
+            Data preparation settings to use.
+        models (list[QSPRModel]):
+            Models to use.
+        assessors (list[ModelAssessor]):
+            Model assessors to use.
+        optimizers (list[HyperparameterOptimization]):
+            Hyperparameter optimizers to use.
+    """
+
+    _notJSON: ClassVar = ["models"]
+
+    name: str
+    n_replicas: int
+    random_seed: int
+    data_sources: list[DataSource]
+    descriptors: list[list[DescriptorSet]]
+    target_props: list[list[TargetProperty]]
+    prep_settings: list[DataPrepSettings]
+    models: list[QSPRModel]
+    assessors: list[ModelAssessor]
+    optimizers: list[HyperparameterOptimization] = tuple()
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["models"] = []
+        for model in self.models:
+            o_dict["models"].append(model.save())
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.models = [QSPRModel.fromFile(model) for model in state["models"]]
+
+    def checkConsistency(self):
+        """Checks if the settings are consistent.
+
+        Raises:
+            AssertionError:
+                If the settings are inconsistent.
+        """
+        assert len(self.data_sources) > 0, "No data sources defined."
+        assert len(self.descriptors) > 0, "No descriptors defined."
+        assert len(self.target_props) > 0, "No target properties defined."
+        assert len(self.prep_settings) > 0, "No data preparation settings defined."
+        assert len(self.models) > 0, "No models defined."
+        assert len(self.assessors) > 0, "No model assessors defined."
diff --git a/qsprpred/benchmarks/settings/data_prep.py b/qsprpred/benchmarks/settings/data_prep.py
new file mode 100644
index 00000000..17418759
--- /dev/null
+++ b/qsprpred/benchmarks/settings/data_prep.py
@@ -0,0 +1,36 @@
+from dataclasses import dataclass
+from typing import Callable
+
+from ...data.processing.data_filters import RepeatsFilter
+from ...data.processing.feature_standardizers import SKLearnStandardizer
+from ...data.sampling.splits import DataSplit
+
+
+@dataclass
+class DataPrepSettings:
+    """Class that determines settings for data preparation. These are arguments
+    passed to `QSPRDataset.prepareDataset`.
+
+    Attributes:
+        data_filters (list):
+            Data filters to use.
+        split (DataSplit):
+            Data split to use.
+        smiles_standardizer (str or callable):
+            Standardizer to use for SMILES strings.
+        feature_filters (list):
+            Feature filters to use.
+        feature_standardizer (SKLearnStandardizer):
+            Standardizer to use for features.
+        feature_fill_value (float):
+            Fill value to use for features.
+        shuffle (bool):
+            Whether to shuffle the data.
+    """
+    data_filters: list | None = (RepeatsFilter(keep=True),)
+    split: DataSplit = None
+    smiles_standardizer: str | Callable = "chembl"
+    feature_filters: list = None
+    feature_standardizer: SKLearnStandardizer = None
+    feature_fill_value: float = 0.0
+    shuffle: bool = True
diff --git a/qsprpred/benchmarks/tests.py b/qsprpred/benchmarks/tests.py
new file mode 100644
index 00000000..37e6fe66
--- /dev/null
+++ b/qsprpred/benchmarks/tests.py
@@ -0,0 +1,311 @@
+from sklearn.ensemble import RandomForestClassifier, RandomForestRegressor
+from sklearn.impute import SimpleImputer
+from sklearn.model_selection import KFold
+from sklearn.naive_bayes import GaussianNB
+from sklearn.neighbors import KNeighborsClassifier, KNeighborsRegressor
+from sklearn.neural_network import MLPClassifier
+
+from qsprpred.models.assessment.methods import CrossValAssessor, TestSetAssessor
+from . import BenchmarkRunner, BenchmarkSettings, DataPrepSettings
+from .. import TargetProperty, TargetTasks
+from ..data import MoleculeTable, QSPRDataset
+from ..data.descriptors.sets import RDKitDescs
+from ..data.sources.data_source import DataSource
+from ..models.scikit_learn import SklearnModel
+from ..utils.stringops import get_random_string
+from ..utils.testing.base import QSPRTestCase
+from ..utils.testing.path_mixins import DataSetsPathMixIn
+
+
+class DataSourceTesting(DataSetsPathMixIn, DataSource):
+    """Data source for testing purposes. Simply prepares the default
+    data set from`DataSetsPathMixIn`.
+    """
+
+    def __init__(self, name):
+        super().__init__()
+        self.setUpPaths()
+        self.name = name
+
+    def getData(self, name: str | None = None, **kwargs) -> MoleculeTable:
+        name = name or self.name
+        return self.createLargeTestDataSet(name)
+
+    def getDataSet(
+        self,
+        target_props: list[TargetProperty | dict],
+        name: str | None = None,
+        **kwargs,
+    ) -> QSPRDataset:
+        name = name or self.name
+        return self.createLargeTestDataSet(name, target_props=target_props)
+
+
+class BenchmarkingTest(DataSetsPathMixIn, QSPRTestCase):
+    """Test benchmarking functionality on the test data set.
+
+    Attributes:
+        settings (BenchmarkSettings):
+            Benchmark settings.
+        benchmark (BenchmarkRunner):
+            Benchmark runner.
+    """
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+        prep = self.getDefaultPrep()
+        descriptors = prep["feature_calculators"]
+        del prep["feature_calculators"]
+        descriptors.append(RDKitDescs())
+        self.seed = 42
+        self.nFolds = 3
+        self.settings = BenchmarkSettings(
+            name=get_random_string(prefix=self.__class__.__name__ + "_"),
+            n_replicas=2,
+            random_seed=self.seed,
+            data_sources=[
+                DataSourceTesting("TestData_1"),
+                DataSourceTesting("TestData_2"),
+            ],
+            descriptors=[
+                descriptors,
+                [descriptors[0]],
+                [descriptors[1]],
+            ],
+            target_props=[
+                [
+                    TargetProperty.fromDict(
+                        {"name": "CL", "task": TargetTasks.SINGLECLASS, "th": [10]}
+                    )
+                ],
+                [
+                    TargetProperty.fromDict(
+                        {"name": "fu", "task": TargetTasks.SINGLECLASS, "th": [0.3]}
+                    )
+                ],
+            ],
+            prep_settings=[DataPrepSettings(**prep)],
+            models=[
+                SklearnModel(
+                    name="GaussianNB",
+                    alg=GaussianNB,
+                    base_dir=f"{self.generatedPath}/models",
+                ),
+                SklearnModel(
+                    name="MLPClassifier",
+                    alg=MLPClassifier,
+                    base_dir=f"{self.generatedPath}/models",
+                ),
+            ],
+            assessors=[
+                CrossValAssessor(
+                    scoring="roc_auc",
+                    split=KFold(
+                        n_splits=self.nFolds, shuffle=True, random_state=self.seed
+                    ),
+                ),
+                CrossValAssessor(
+                    scoring="matthews_corrcoef",
+                    split=KFold(
+                        n_splits=self.nFolds, shuffle=True, random_state=self.seed
+                    ),
+                    use_proba=False,
+                ),
+                TestSetAssessor(scoring="roc_auc"),
+                TestSetAssessor(scoring="matthews_corrcoef", use_proba=False),
+            ],
+            optimizers=[],  # FIXME: needs to be tested
+        )
+        self.benchmark = BenchmarkRunner(
+            self.settings,
+            data_dir=f"{self.generatedPath}/benchmarks",
+            results_file=f"{self.generatedPath}/benchmarks/results.tsv",
+        )
+
+    def checkRunResults(self, results):
+        # TODO: more checks should be done here in the future
+        for tps in self.settings.target_props:
+            for assessor in self.settings.assessors:
+                score = assessor.scoreFunc.name
+                score_results = results[
+                    (results["ScoreFunc"] == score)
+                    & (results["Assessor"] == assessor.__class__.__name__)
+                    & (results["TargetProperty"].isin([tp.name for tp in tps]))
+                ]
+                self.assertTrue(len(score_results) > 0)
+
+    def checkSettings(self):
+        self.assertTrue(len(self.settings.data_sources) > 0)
+        self.assertTrue(len(self.settings.descriptors) > 0)
+        self.assertTrue(len(self.settings.target_props) > 0)
+        self.assertTrue(len(self.settings.prep_settings) > 0)
+        self.assertTrue(len(self.settings.models) > 0)
+        self.assertTrue(len(self.settings.assessors) > 0)
+        self.settings.toFile(f"{self.generatedPath}/benchmarks/settings.json")
+        settings = BenchmarkSettings.fromFile(
+            f"{self.generatedPath}/benchmarks/settings.json"
+        )
+        self.assertEqual(len(self.settings.data_sources), len(settings.data_sources))
+        self.assertEqual(len(self.settings.descriptors), len(settings.descriptors))
+        self.assertEqual(len(self.settings.target_props), len(settings.target_props))
+        self.assertEqual(len(self.settings.prep_settings), len(settings.prep_settings))
+        self.assertEqual(len(self.settings.models), len(settings.models))
+        self.assertEqual(len(self.settings.assessors), len(settings.assessors))
+
+    def testSingleTaskCLS(self):
+        """Run single task tests for classification."""
+        self.checkSettings()
+        results = self.benchmark.run(raise_errors=True)
+        self.checkRunResults(results)
+        self.checkSettings()
+
+    def testSingleTaskREG(self):
+        self.settings.target_props = [
+            [
+                TargetProperty.fromDict(
+                    {
+                        "name": "CL",
+                        "task": TargetTasks.REGRESSION,
+                    }
+                )
+            ]
+        ]
+        self.settings.models = [
+            SklearnModel(
+                name="RandomForestRegressor",
+                alg=RandomForestRegressor,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+            SklearnModel(
+                name="KNeighborsRegressor",
+                alg=KNeighborsRegressor,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+        ]
+        self.settings.assessors = [
+            CrossValAssessor(
+                scoring="r2",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+            ),
+            CrossValAssessor(
+                scoring="neg_mean_squared_error",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+            ),
+            TestSetAssessor(scoring="r2"),
+            TestSetAssessor(scoring="neg_mean_squared_error"),
+        ]
+        self.checkSettings()
+        results = self.benchmark.run(raise_errors=True)
+        self.checkRunResults(results)
+        self.checkSettings()
+
+    def testMultiTaskCLS(self):
+        """Run the test benchmark."""
+        self.settings.target_props = [
+            [
+                TargetProperty.fromDict(
+                    {
+                        "name": "CL",
+                        "task": TargetTasks.SINGLECLASS,
+                        "th": [10],
+                        "imputer": SimpleImputer(strategy="mean"),
+                    }
+                ),
+                TargetProperty.fromDict(
+                    {
+                        "name": "fu",
+                        "task": TargetTasks.SINGLECLASS,
+                        "th": [0.3],
+                        "imputer": SimpleImputer(strategy="mean"),
+                    }
+                ),
+            ]
+        ]
+        self.settings.models = [
+            SklearnModel(
+                name="RandomForestClassifier",
+                alg=RandomForestClassifier,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+            SklearnModel(
+                name="KNeighborsClassifier",
+                alg=KNeighborsClassifier,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+        ]
+        self.settings.assessors = [
+            CrossValAssessor(
+                scoring="roc_auc",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+                split_multitask_scores=True,
+            ),
+            CrossValAssessor(
+                scoring="matthews_corrcoef",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+                use_proba=False,
+                split_multitask_scores=True,
+            ),
+            TestSetAssessor(scoring="roc_auc", split_multitask_scores=True),
+            TestSetAssessor(
+                scoring="matthews_corrcoef",
+                use_proba=False,
+                split_multitask_scores=True,
+            ),
+        ]
+        self.checkSettings()
+        results = self.benchmark.run(raise_errors=True)
+        self.checkRunResults(results)
+        self.checkSettings()
+
+    def testMultiTaskREG(self):
+        self.settings.target_props = [
+            [
+                TargetProperty.fromDict(
+                    {
+                        "name": "CL",
+                        "task": TargetTasks.REGRESSION,
+                        "imputer": SimpleImputer(strategy="mean"),
+                    }
+                ),
+                TargetProperty.fromDict(
+                    {
+                        "name": "fu",
+                        "task": TargetTasks.REGRESSION,
+                        "imputer": SimpleImputer(strategy="mean"),
+                    }
+                ),
+            ]
+        ]
+        self.settings.models = [
+            SklearnModel(
+                name="RandomForestRegressor",
+                alg=RandomForestRegressor,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+            SklearnModel(
+                name="KNeighborsRegressor",
+                alg=KNeighborsRegressor,
+                base_dir=f"{self.generatedPath}/models",
+            ),
+        ]
+        self.settings.assessors = [
+            CrossValAssessor(
+                scoring="r2",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+                split_multitask_scores=True,
+            ),
+            CrossValAssessor(
+                scoring="neg_mean_squared_error",
+                split=KFold(n_splits=self.nFolds, shuffle=True, random_state=self.seed),
+                split_multitask_scores=True,
+            ),
+            TestSetAssessor(scoring="r2", split_multitask_scores=True),
+            TestSetAssessor(
+                scoring="neg_mean_squared_error", split_multitask_scores=True
+            ),
+        ]
+        self.checkSettings()
+        results = self.benchmark.run(raise_errors=True)
+        self.checkRunResults(results)
+        self.checkSettings()
diff --git a/qsprpred/data/__init__.py b/qsprpred/data/__init__.py
index e69de29b..d1c0d5fe 100644
--- a/qsprpred/data/__init__.py
+++ b/qsprpred/data/__init__.py
@@ -0,0 +1,10 @@
+from .tables.mol import MoleculeTable
+from .tables.qspr import QSPRDataset
+from .sampling.splits import (
+    RandomSplit,
+    GBMTRandomSplit,
+    ScaffoldSplit,
+    ClusterSplit,
+    TemporalSplit,
+    BootstrapSplit,
+)
diff --git a/qsprpred/data/utils/descriptor_utils/__init__.py b/qsprpred/data/chem/__init__.py
similarity index 100%
rename from qsprpred/data/utils/descriptor_utils/__init__.py
rename to qsprpred/data/chem/__init__.py
diff --git a/qsprpred/data/utils/data_clustering.py b/qsprpred/data/chem/clustering.py
similarity index 86%
rename from qsprpred/data/utils/data_clustering.py
rename to qsprpred/data/chem/clustering.py
index f83cec20..1d850f5f 100644
--- a/qsprpred/data/utils/data_clustering.py
+++ b/qsprpred/data/chem/clustering.py
@@ -1,12 +1,15 @@
+import os
 from abc import ABC, abstractmethod
 
 import numpy as np
+import pandas as pd
 from rdkit import Chem, DataStructs
 from rdkit.SimDivFilters import rdSimDivPickers
 
-from ...logs import logger
-from .descriptorsets import FingerprintSet
 from .scaffolds import Murcko, Scaffold
+from .. import MoleculeTable
+from ..descriptors.fingerprints import Fingerprint, MorganFP
+from ...logs import logger
 
 
 class MoleculeClusters(ABC):
@@ -16,6 +19,7 @@ class MoleculeClusters(ABC):
     Attributes:
         nClusters (int): number of clusters
     """
+
     @abstractmethod
     def get_clusters(self, smiles_list: list[str]) -> dict:
         """
@@ -47,6 +51,7 @@ class RandomClusters(MoleculeClusters):
         seed (int): random seed
         nClusters (int): number of clusters
     """
+
     def __init__(self, seed: int = 42, n_clusters: int | None = None):
         self.seed = seed
         self.nClusters = n_clusters
@@ -83,6 +88,7 @@ class ScaffoldClusters(MoleculeClusters):
     Attributes:
         scaffold (Scaffold): scaffold generator
     """
+
     def __init__(self, scaffold: Scaffold = Murcko()):
         super().__init__()
         self.scaffold = scaffold
@@ -100,12 +106,19 @@ def get_clusters(self, smiles_list: list[str]) -> dict:
         """
 
         # Generate scaffolds for each molecule
-        scaffolds = [
-            self.scaffold(Chem.MolFromSmiles(smiles)) for smiles in smiles_list
-        ]
+        mt = MoleculeTable(
+            "scaffolds", pd.DataFrame({"SMILES": smiles_list}), n_jobs=os.cpu_count()
+        )
+        mt.addScaffolds([self.scaffold])
+        scaffolds = (
+            mt.getScaffolds([self.scaffold])
+            .loc[mt.getDF().index, :]
+            .iloc[:, 0]
+            .tolist()
+        )
 
         # Get unique scaffolds and initialize clusters
-        unique_scaffolds = list(set(scaffolds))
+        unique_scaffolds = sorted(list(set(scaffolds)))
         clusters = {i: [] for i in range(len(unique_scaffolds))}
 
         # Cluster molecules based on scaffolds
@@ -118,9 +131,7 @@ def get_clusters(self, smiles_list: list[str]) -> dict:
 class FPSimilarityClusters(MoleculeClusters):
     def __init__(
         self,
-        fp_calculator: FingerprintSet = FingerprintSet(
-            fingerprint_type="MorganFP", radius=3, nBits=2048
-        ),
+        fp_calculator: Fingerprint = MorganFP(radius=3, nBits=2048),
     ) -> None:
         super().__init__()
         self.fp_calculator = fp_calculator
@@ -139,7 +150,9 @@ def get_clusters(self, smiles_list: list[str]) -> dict:
 
         # Get fingerprints for each molecule
         mols = [Chem.MolFromSmiles(smiles) for smiles in smiles_list]
-        fps = self.fp_calculator.getFingerprint(mols)
+        fps = self.fp_calculator.getDescriptors(
+            mols, props={self.fp_calculator.idProp: [str(x) for x in range(len(mols))]}
+        )
 
         # Convert np fingerprints to rdkit fingerprints
         fps = [
@@ -175,14 +188,13 @@ class FPSimilarityMaxMinClusters(FPSimilarityClusters):
         seed (int): random seed
         initialCentroids (list): list of indices of initial cluster centroids
     """
+
     def __init__(
         self,
         n_clusters: int | None = None,
-        seed: int = 42,
+        seed: int | None = None,
         initial_centroids: list[str] | None = None,
-        fp_calculator: FingerprintSet = FingerprintSet(
-            fingerprint_type="MorganFP", radius=3, nBits=2048
-        ),
+        fp_calculator: Fingerprint = MorganFP(radius=3, nBits=2048),
     ):
         super().__init__(fp_calculator=fp_calculator)
         self.nClusters = n_clusters
@@ -206,7 +218,7 @@ def _get_centroids(self, fps: list) -> list:
             len(fps),
             self.nClusters,
             firstPicks=self.initialCentroids if self.initialCentroids else [],
-            seed=self.seed,
+            seed=self.seed if self.seed is not None else -1,
         )
 
         return centroid_indices
@@ -220,14 +232,13 @@ class FPSimilarityLeaderPickerClusters(FPSimilarityClusters):
         fp_calculator (FingerprintSet): fingerprint calculator
         similarity_threshold (float): similarity threshold
     """
+
     def __init__(
         self,
         similarity_threshold: float = 0.7,
-        fp_calculator: FingerprintSet = FingerprintSet(
-            fingerprint_type="MorganFP", radius=3, nBits=2048
-        ),
+        fp_calculator: Fingerprint = MorganFP(radius=3, nBits=2048),
     ):
-        super().__init__()
+        super().__init__(fp_calculator=fp_calculator)
         self.similarityThreshold = similarity_threshold
         self.fpCalculator = fp_calculator
 
diff --git a/qsprpred/data/chem/matching.py b/qsprpred/data/chem/matching.py
new file mode 100644
index 00000000..2f63cc1b
--- /dev/null
+++ b/qsprpred/data/chem/matching.py
@@ -0,0 +1,38 @@
+from typing import Literal
+
+from rdkit import Chem
+
+
+def match_mol_to_smarts(
+        mol: Chem.Mol | str,
+        smarts: list[str],
+        operator: Literal["or", "and"] = "or",
+        use_chirality: bool = False
+):
+    """
+    Check if a molecule matches a SMARTS pattern.
+
+    Args:
+        mol: Molecule to check.
+        smarts: SMARTS patterns to check.
+        operator: Whether to use an "or" or "and" operator on patterns. Defaults to "or".
+        use_chirality: Whether to use chirality in the search.
+
+    Returns:
+        (bool): True if the molecule matches the pattern, False otherwise.
+    """
+    mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
+    ret = False
+    for smart in smarts:
+        ret = mol.HasSubstructMatch(Chem.MolFromSmarts(smart),
+                                    useChirality=use_chirality)
+        if operator == "or":
+            if ret:
+                return True
+        elif operator == "and":
+            if ret:
+                ret = True
+            else:
+                return False
+    return ret
+
diff --git a/qsprpred/data/chem/scaffolds.py b/qsprpred/data/chem/scaffolds.py
new file mode 100644
index 00000000..60b60ce8
--- /dev/null
+++ b/qsprpred/data/chem/scaffolds.py
@@ -0,0 +1,149 @@
+from abc import ABC, abstractmethod
+
+import pandas as pd
+from rdkit import Chem
+from rdkit.Chem import Mol, ReplaceSubstructs
+from rdkit.Chem.Scaffolds import MurckoScaffold
+
+from qsprpred.data.processing.mol_processor import MolProcessorWithID
+
+
+class Scaffold(MolProcessorWithID, ABC):
+    """
+    Abstract base class for calculating molecular scaffolds of different kinds.
+    """
+
+    @abstractmethod
+    def __call__(self, mols: list[str | Mol], props, *args, **kwargs):
+        """
+        Calculate the scaffold for a molecule.
+
+        Args:
+            mol (str | Mol): SMILES or RDKit molecule to calculate the scaffold for.
+
+        Returns:
+            smiles of the scaffold
+        """
+
+    @abstractmethod
+    def __str__(self):
+        pass
+
+    def supportsParallel(self) -> bool:
+        return True
+
+
+class Murcko(Scaffold):
+    """Class for calculating Murcko scaffolds of a given molecule."""
+
+    def __call__(self, mols, props, *args, **kwargs):
+        """
+        Calculate the Murcko scaffold for a molecule as implemented
+        in RDKit.
+
+        Args:
+            mol: SMILES as `str` or an instance of `Mol`
+
+        Returns:
+            SMILES of the Murcko scaffold as `str`
+        """
+        res = []
+        for mol in mols:
+            mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
+            scaff = MurckoScaffold.GetScaffoldForMol(mol)
+            res.append(Chem.MolToSmiles(scaff))
+        return pd.Series(res, index=props[self.idProp])
+
+    def __str__(self):
+        return "Murcko"
+
+
+class BemisMurcko(Scaffold):
+    """Extension of rdkit's BM-like scaffold to make it more true to the paper.
+    In BM's paper, exo bonds on linkers or on rings get cutoff but two
+    electrons remain.
+
+    In the rdkit implementation, both atoms in the exo bond get included.
+    This means for BM C1CCC1=N and C1CCC1=O are the same, for rdkit they are
+    different.
+
+    When flattening the BM scaffold using MakeScaffoldGeneric() this leads to
+    distinct scaffolds, as C1CCC1=O is flattened to C1CCC1C and not C1CCC1.
+
+    In this approach, the two electrons are represented as SMILES "=*". This
+    is to make sure the automatic oxidation state assignment of sulfur does
+    not flatten C1CS1(=*)(=*) into C1CS1 when explicit hydrogen count is
+    provided.
+
+    Ref.:
+
+    Bemis, G. W., & Murcko, M. A. (1996). "The properties of known drugs. 1.
+    Molecular frameworks." Journal of medicinal chemistry, 39(15), 2887-2893.
+
+    Related RDKit issue: https://github.com/rdkit/rdkit/discussions/6844
+
+    Credit: Original code provided by Wim Dehaen (@dehaenw)
+    """
+
+    def __init__(
+        self,
+        real_bemismurcko: bool = True,
+        use_csk: bool = False,
+        id_prop: bool | None = None,
+    ):
+        """
+        Initialize the scaffold generator.
+
+        Args:
+            real_bemismurcko (bool): Use guidelines from Bemis murcko paper.
+                otherwise, use native rdkit implementation.
+            use_csk (bool): Make scaffold generic (convert all bonds to single
+                and all atoms to carbon). If real_bemismurcko is on, also
+                remove all flattened exo bonds.
+        """
+        super().__init__(id_prop=id_prop)
+        self.realBemisMurcko = real_bemismurcko
+        self.useCSK = use_csk
+
+    @staticmethod
+    def findTerminalAtoms(mol):
+        res = []
+        for a in mol.GetAtoms():
+            if len(a.GetBonds()) == 1:
+                res.append(a)
+        return res
+
+    def __call__(self, mols, props, *args, **kwargs):
+        """
+        Calculate the Bemis-Murcko scaffold for a molecule.
+
+        Args:
+            mol: SMILES as `str` or an instance of `Mol`
+
+        Returns:
+            SMILES of the Bemis-Murcko scaffold as `str`
+        """
+        res = []
+        for mol in mols:
+            mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
+            Chem.RemoveStereochemistry(mol)  # important for canonization !
+            scaff = MurckoScaffold.GetScaffoldForMol(mol)
+
+            if self.realBemisMurcko:
+                scaff = ReplaceSubstructs(
+                    scaff,
+                    Chem.MolFromSmarts("[$([D1]=[*])]"),
+                    Chem.MolFromSmarts("[*]"),
+                    replaceAll=True,
+                )[0]
+
+            if self.useCSK:
+                scaff = MurckoScaffold.MakeScaffoldGeneric(scaff)
+                if self.realBemisMurcko:
+                    scaff = MurckoScaffold.GetScaffoldForMol(scaff)
+            Chem.SanitizeMol(scaff)
+            res.append(Chem.MolToSmiles(scaff))
+        return pd.Series(res, index=props[self.idProp])
+
+    def __str__(self):
+        return "Bemis-Murcko"
diff --git a/qsprpred/data/utils/smiles_standardization.py b/qsprpred/data/chem/standardization.py
similarity index 81%
rename from qsprpred/data/utils/smiles_standardization.py
rename to qsprpred/data/chem/standardization.py
index 3eb01a03..c84faace 100644
--- a/qsprpred/data/utils/smiles_standardization.py
+++ b/qsprpred/data/chem/standardization.py
@@ -1,33 +1,48 @@
 """Functions to pre-process SMILES for QSPR modelling."""
 
 import re
+from typing import Any
 
+import pandas as pd
 from chembl_structure_pipeline import standardizer as chembl_stand
 from rdkit import Chem
+from rdkit.Chem import Mol
 from rdkit.Chem.SaltRemover import SaltRemover
 
+from ..processing.mol_processor import MolProcessorWithID
 from ...logs import logger
 
 
-def check_smiles_valid(smiles, throw=True):
-    is_valid = True
-    exception = None
-    if not smiles:
-        is_valid = False
-        exception = ValueError(f"Empty molecule: {smiles}")
-    try:
-        mol = Chem.MolFromSmiles(smiles)
-        if not mol:
-            raise ValueError(f"Invalid molecule: {smiles}")
-        Chem.SanitizeMol(mol)
-    except Exception as exp:
-        is_valid = False
-        exception = exp
+class CheckSmilesValid(MolProcessorWithID):
+    def __call__(
+        self, mols: list[str | Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> Any:
+        throw = kwargs.get("throw", False)
+        ret = []
+        for mol in mols:
+            is_valid = True
+            exception = None
+            if not mol:
+                is_valid = False
+                exception = ValueError(f"Empty molecule: {mol}")
+            try:
+                mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
+                if not mol:
+                    raise ValueError(f"Invalid molecule: {mol}")
+                Chem.SanitizeMol(mol)
+            except Exception as exp:
+                is_valid = False
+                exception = exp
+            if exception and throw:
+                raise exception
+            else:
+                ret.append(is_valid)
+        ret = pd.Series(ret, index=props[self.idProp])
+        return ret
 
-    if exception and throw:
-        raise exception
-    else:
-        return is_valid
+    @property
+    def supportsParallel(self) -> bool:
+        return True
 
 
 def neutralize_atoms(mol):
@@ -122,7 +137,7 @@ def old_standardize_sanitize(smi: str) -> str:
         parent_smi = re.sub(s_acid_remover, "", parent_smi)
         try:
             Chem.MolFromSmiles(parent_smi)
-        except:  # noqa: 722
+        except:  # noqa: E722
             print(f"{parent_smi} could not be parsed after removing sulfuric acids!")
             return None
     # Removing external molecules by splitting on . and picking the largest smiles
@@ -130,7 +145,7 @@ def old_standardize_sanitize(smi: str) -> str:
         parent_smi = max(parent_smi.split("."), key=len)
         try:
             mol = Chem.MolFromSmiles(parent_smi)
-        except:  # noqa: 722
+        except:  # noqa: E722
             print(f"Compound, ({parent_smi}) could not be parsed!!")
             return None
     # Trying to remove the salts
diff --git a/qsprpred/data/chem/tests.py b/qsprpred/data/chem/tests.py
new file mode 100644
index 00000000..b2ecb887
--- /dev/null
+++ b/qsprpred/data/chem/tests.py
@@ -0,0 +1,65 @@
+from parameterized import parameterized
+from rdkit import Chem
+
+from ... import TargetTasks
+from ...data import QSPRDataset
+from ...data.chem.scaffolds import Murcko, BemisMurcko
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.path_mixins import DataSetsPathMixIn
+
+
+class TestScaffolds(DataSetsPathMixIn, QSPRTestCase):
+    """Test calculation of scaffolds."""
+
+    def setUp(self):
+        """Create a small dataset."""
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
+
+    @parameterized.expand(
+        [
+            ("Murcko", Murcko()),
+            ("BemisMurcko", BemisMurcko()),
+            ("BemisMurckoCSK", BemisMurcko(True, True)),
+            ("BemisMurckoJustCSK", BemisMurcko(False, True)),
+            ("BemisMurckoOff", BemisMurcko(False, False)),
+        ]
+    )
+    def testScaffoldAdd(self, _, scaffold):
+        """Test the adding and getting of scaffolds."""
+        self.dataset.addScaffolds([scaffold])
+        scaffs = self.dataset.getScaffolds()
+        self.assertEqual(scaffs.shape, (len(self.dataset), 1))
+        self.dataset.addScaffolds([scaffold], add_rdkit_scaffold=True, recalculate=True)
+        scaffs = self.dataset.getScaffolds(include_mols=True)
+        self.assertEqual(scaffs.shape, (len(self.dataset), 2))
+        for mol in scaffs[f"Scaffold_{scaffold}_RDMol"]:
+            self.assertTrue(isinstance(mol, Chem.rdchem.Mol))
+
+
+class TestStandardizers(DataSetsPathMixIn, QSPRTestCase):
+    """Test the standardizers."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def testInvalidFilter(self):
+        """Test the invalid filter."""
+        df = self.getSmallDF()
+        orig_len = len(df)
+        mask = [False] * orig_len
+        mask[0] = True
+        df.loc[mask, "SMILES"] = "C(C)(C)(C)(C)(C)(C)(C)(C)(C)"  # bad valence example
+        dataset = QSPRDataset(
+            "standardization_test_invalid_filter",
+            df=df,
+            target_props=[{"name": "CL", "task": TargetTasks.REGRESSION}],
+            drop_invalids=False,
+            drop_empty=False,
+        )
+        dataset.standardizeSmiles("chembl", drop_invalid=False)
+        self.assertEqual(len(dataset), len(df))
+        dataset.standardizeSmiles("chembl", drop_invalid=True)
+        self.assertEqual(len(dataset), orig_len - 1)
diff --git a/qsprpred/data/data.py b/qsprpred/data/data.py
deleted file mode 100644
index 05007b74..00000000
--- a/qsprpred/data/data.py
+++ /dev/null
@@ -1,2499 +0,0 @@
-"""This module contains the QSPRDataset that holds and prepares data for modelling."""
-
-import concurrent
-import copy
-import json
-import multiprocessing
-import os
-import pickle
-import warnings
-from collections.abc import Callable
-from multiprocessing import Pool
-from typing import Literal, Optional
-
-import numpy as np
-import pandas as pd
-from rdkit.Chem import PandasTools
-from sklearn.model_selection import KFold, StratifiedKFold
-from sklearn.preprocessing import LabelEncoder
-from tqdm.auto import tqdm
-
-from ..logs import logger
-from ..models.tasks import TargetTasks
-from ..utils.inspect import import_class
-from .interfaces import DataSet, DataSplit, MoleculeDataSet
-from .utils.datafilters import RepeatsFilter
-from .utils.feature_standardization import (
-    SKLearnStandardizer,
-    apply_feature_standardizer,
-)
-from .utils.folds import Folds
-from .utils.scaffolds import Scaffold
-from .utils.smiles_standardization import (
-    check_smiles_valid,
-    chembl_smi_standardizer,
-    old_standardize_sanitize,
-)
-
-
-class PandasDataSet(DataSet):
-    """A Pandas DataFrame wrapper class to enable data processing functions on
-    QSPRpred data.
-
-    Arguments
-        name (str): Name of the data set. You can use this name to load the dataset
-            from disk anytime and create a new instance.
-        df (pd.DataFrame): Pandas dataframe containing the data. If you provide a
-            dataframe for a dataset that already exists on disk, the dataframe from
-            disk will override the supplied data frame. Set 'overwrite' to `True` to
-            override the data frame on disk.
-        store_dir (int): Directory to store the dataset files. Defaults to the
-            current directory. If it already contains files with the same name,
-            the existing data will be loaded.
-        overwrite (bool): Overwrite existing dataset.
-        index_cols (List): List of columns to use as index. If None, the index
-            will be a custom generated ID.
-        n_jobs (int): Number of jobs to use for parallel processing. If <= 0,
-            all available cores will be used.
-        chunk_size (int): Size of chunks to use per job in parallel processing.
-        id_prefix (str): Prefix to use for custom generated IDs."""
-    class ParallelApplyWrapper:
-        """A wrapper class to parallelize pandas apply functions."""
-        def __init__(
-            self,
-            func: Callable,
-            func_args: list | None = None,
-            func_kwargs: dict | None = None,
-            axis: int = 0,
-            raw: bool = False,
-            result_type: str = "expand",
-        ):
-            """Initialize the instance with pandas parameters to apply to data chunks.
-
-            See `pandas.DataFrame.apply` for more information.
-
-            Args:
-                func (Callable): Function to apply to the data frame.
-                func_args (list): Positional arguments to pass to the function.
-                func_kwargs (dict): Keyword arguments to pass to the function.
-                axis (int): Axis to apply func along (0 for columns, 1 for rows).
-                raw (bool): Whether to pass Series object to func or raw array.
-                result_type (str): whether to expand/ignore the results.
-
-            """
-            self.args = func_args
-            self.kwargs = func_kwargs
-            self.func = func
-            self.axis = axis
-            self.raw = raw
-            self.result_type = result_type
-
-        def __call__(self, data: pd.DataFrame):
-            """Apply the function to the current chunk of data.
-
-            Args:
-                data (pd.DataFrame): chunk of data to apply function to
-
-            Returns:
-                result of applying function to chunk of data
-            """
-            return data.apply(
-                self.func,
-                raw=self.raw,
-                axis=self.axis,
-                result_type=self.result_type,
-                args=self.args,
-                **self.kwargs if self.kwargs else {},
-            )
-
-    def __init__(
-        self,
-        name: str,
-        df: Optional[pd.DataFrame] = None,
-        store_dir: int = ".",
-        overwrite: bool = False,
-        index_cols: Optional[list[str]] = None,
-        n_jobs: int = 1,
-        chunk_size: int = 1000,
-        id_prefix: str = "QSPRID",
-    ):
-        """Initialize a `PandasDataSet` object.
-        Args
-            name (str): Name of the data set. You can use this name to load the dataset
-                from disk anytime and create a new instance.
-            df (pd.DataFrame): Pandas dataframe containing the data. If you provide a
-                dataframe for a dataset that already exists on disk, the dataframe from
-                disk will override the supplied data frame. Set 'overwrite' to `True` to
-                override the data frame on disk.
-            store_dir (int): Directory to store the dataset files. Defaults to the
-                current directory. If it already contains files with the same name,
-                the existing data will be loaded.
-            overwrite (bool): Overwrite existing dataset.
-            index_cols (List): List of columns to use as index. If None, the index
-                will be a custom generated ID.
-            n_jobs (int): Number of jobs to use for parallel processing. If <= 0,
-                all available cores will be used.
-            chunk_size (int): Size of chunks to use per job in parallel processing.
-            id_prefix (str): Prefix to use for custom generated IDs.
-        """
-        self.name = name
-        self.indexCols = index_cols
-        # parallel settings
-        self.nJobs = n_jobs if n_jobs > 0 else os.cpu_count()
-        self.chunkSize = chunk_size
-        # paths
-        self.storeDir = store_dir.rstrip("/")
-        self.storePrefix = f"{self.storeDir}/{self.name}"
-        if not os.path.exists(self.storeDir):
-            raise FileNotFoundError(f"Directory '{self.storeDir}' does not exist.")
-        self.storePath = f"{self.storePrefix}_df.pkl"
-        # data frame initialization
-        self.df = None
-        if df is not None:
-            if self._isInStore("df") and not overwrite:
-                warnings.warn(
-                    "Existing data set found, but also found a data frame in store. "
-                    "Refusing to overwrite data. If you want to overwrite data in "
-                    "store, set overwrite=True.",
-                    stacklevel=2,
-                )
-                self.reload()
-            else:
-                self.clearFiles()
-                self.df = df
-                if index_cols is not None:
-                    self.setIndex(index_cols)
-                else:
-                    df[id_prefix] = [f"{self.name}_{i}" for i in range(len(self.df))]
-                    self.setIndex([id_prefix])
-        else:
-            if not self._isInStore("df"):
-                raise ValueError(
-                    f"No data frame found in store for '{self.name}'. Are you sure "
-                    "this is the correct dataset? If you are creating a new data set, "
-                    "make sure to supply a data frame."
-                )
-            self.reload()
-        assert self.df is not None, "Unknown error in data set creation."
-
-    def __len__(self):
-        """
-        Get the number of rows in the data frame.
-
-        Returns: number of rows in the data frame.
-        """
-        return len(self.df)
-
-    def setIndex(self, cols: list[str]):
-        """
-        Set the index of the data frame.
-
-        Args:
-            cols (list[str]): list of columns to use as index.
-        """
-        self.df.set_index(cols, inplace=True, verify_integrity=True, drop=False)
-        self.df.drop(
-            inplace=True,
-            columns=[c for c in self.df.columns if c.startswith("Unnamed")],
-        )
-        self.df.index.name = "~".join(cols)
-        self.indexCols = cols
-
-    def _isInStore(self, name):
-        """Check if a pickled file with the given suffix exists.
-
-        Args:
-            name (str): Suffix of the file to check.
-
-        Returns:
-            bool: `True` if the file exists, `False` otherwise.
-        """
-        return os.path.exists(self.storePath
-                             ) and self.storePath.endswith(f"_{name}.pkl")
-
-    def getProperty(self, name: str) -> pd.Series:
-        """Get a property of the data set.
-
-        Args:
-            name (str): Name of the property to get.
-
-        Returns:
-            pd.Series: List of values for the property.
-        """
-        return self.df[name]
-
-    def getProperties(self):
-        """Get the properties of the data set.
-
-        Returns: list of properties of the data set.
-        """
-        return self.df.columns
-
-    def addProperty(self, name: str, data: list):
-        """Add a property to the data set.
-
-        Args:
-            name (str): Name of the property.
-            data (list): List of values for the property.
-        """
-        if isinstance(data, pd.Series):
-            if not np.array_equal(data.index.txt, self.df.index.txt):
-                logger.info(
-                    f"Adding property '{name}' to data set might be introducing 'nan' "
-                    "values due to index with pandas series. Make sure the index of "
-                    "the data frame and the series match or convert series to list."
-                )
-        self.df[name] = data
-
-    def removeProperty(self, name: str):
-        """Remove a property from the data set.
-
-        Args:
-            name (str): Name of the property to remove.
-        """
-
-    def getSubset(self, prefix: str):
-        """Get a subset of the data set by providing a prefix for the column names or a
-        column name directly.
-
-        Args:
-            prefix (str): Prefix of the column names to select.
-        """
-        if self.df.columns.str.startswith(prefix).any():
-            return self.df[self.df.columns[self.df.columns.str.startswith(prefix)]]
-
-    def apply(
-        self,
-        func: Callable,
-        func_args: list | None = None,
-        func_kwargs: dict | None = None,
-        axis: int = 0,
-        raw: bool = False,
-        result_type: str = "expand",
-        subset: list | None = None,
-    ):
-        """Apply a function to the data frame.
-
-        In addition to the arguments of `pandas.DataFrame.apply`, this method also
-        supports parallelization using `multiprocessing.Pool`.
-
-        Args:
-            func (Callable): Function to apply to the data frame.
-            func_args (list): Positional arguments to pass to the function.
-            func_kwargs (dict): Keyword arguments to pass to the function.
-            axis (int): Axis along which the function is applied
-                (0 for column, 1 for rows).
-            raw (bool): Whether to pass the data frame as-is to the function or to pass
-                each row/column as a Series to the function.
-            result_type (str): Whether to expand the result of the function to columns
-                or to leave it as a Series.
-            subset (list): list of column names if only a subset of the data should be
-                used (reduces memory consumption).
-        """
-        n_cpus = self.nJobs
-        chunk_size = self.chunkSize
-        if (
-            n_cpus and n_cpus > 1 and
-            not (hasattr(func, "noParallelization") and func.noParallelization is True)
-        ):
-            return self.papply(
-                func,
-                func_args,
-                func_kwargs,
-                axis,
-                raw,
-                result_type,
-                subset,
-                n_cpus,
-                chunk_size,
-            )
-        else:
-            df_sub = self.df[subset if subset else self.df.columns]
-            return df_sub.apply(
-                func,
-                raw=raw,
-                axis=axis,
-                result_type=result_type,
-                args=func_args,
-                **func_kwargs if func_kwargs else {},
-            )
-
-    def papply(
-        self,
-        func: Callable,
-        func_args: list | None = None,
-        func_kwargs: dict | None = None,
-        axis: int = 0,
-        raw: bool = False,
-        result_type: str = "expand",
-        subset: list | None = None,
-        n_cpus: int = 1,
-        chunk_size: int = 1000,
-    ):
-        """Parallelized version of `MoleculeTable.apply`.
-
-        Args:
-            func (Callable): Function to apply to the data frame.
-            func_args (list): Positional arguments to pass to the function.
-            func_kwargs (dict): Keyword arguments to pass to the function.
-            axis (int): Axis along which the function is applied
-                (0 for column, 1 for rows).
-            raw (bool): Whether to pass the data frame as-is to the function or to pass
-                each row/column as a Series to the function.
-            result_type (str): Whether to expand the result of the function to columns
-                or to leave it as a Series.
-            subset (list): list of column names if only a subset of the data should be
-                used (reduces memory consumption).
-            n_cpus (int): Number of CPUs to use for parallelization.
-            chunk_size (int): Number of rows to process in each chunk.
-
-        Returns:
-            result of applying function to data in chunks
-        """
-        n_cpus = n_cpus if n_cpus else os.cpu_count()
-        df_sub = self.df[subset if subset else self.df.columns]
-        data = [df_sub[i:i + chunk_size] for i in range(0, len(df_sub), chunk_size)]
-        # size of batches use in the process - more is faster, but uses more memory
-        batch_size = n_cpus
-        results = []
-        with concurrent.futures.ProcessPoolExecutor(max_workers=n_cpus) as executor:
-            batches = [data[i:i + batch_size] for i in range(0, len(data), batch_size)]
-            for batch in tqdm(
-                batches, desc=f"Parallel apply in progress for {self.name}."
-            ):
-                wrapped = self.ParallelApplyWrapper(
-                    func,
-                    func_args=func_args,
-                    func_kwargs=func_kwargs,
-                    result_type=result_type,
-                    axis=axis,
-                    raw=raw,
-                )
-                for result in executor.map(wrapped, batch):
-                    results.append(result)
-
-        return pd.concat(results, axis=0)
-
-    def transform(
-        self, targets: list, transformer: Callable, addAs: list | None = None
-    ):
-        """Transform the data frame (or its part) using a list of transformers.
-
-        Each transformer is a function that takes the data frame (or a subset of it as
-        defined by the `targets` argument) and returns a transformed data frame. The
-        transformed data frame can then be added to the original data frame if `addAs`
-        is set to a `list` of new column names. If `addAs` is not `None`, the result of
-        the application of transformers must have the same number of rows as the
-        original data frame.
-
-        Args:
-            targets (list): list of column names to transform.
-            transformer (Callable): Function that transforms the data in target columns
-                to a new representation.
-            addAs (list): If `True`, the transformed data is added to the original data
-                frame and the
-            names in this list are used as column names for the new data.
-        """
-        ret = self.df[targets]
-        ret = transformer(ret)
-        if addAs:
-            self.df[addAs] = ret
-        return ret
-
-    def filter(self, table_filters: list[Callable]):
-        """Filter the data frame using a list of filters.
-
-        Each filter is a function that takes the data frame and returns a
-        a new data frame with the filtered rows. The new data frame is then used as the
-        input for the next filter. The final data frame is saved as the new data frame
-        of the `MoleculeTable`."""
-        df_filtered = None
-        for table_filter in table_filters:
-            if len(self.df) == 0:
-                logger.warning("Dataframe is empty")
-            if table_filter.__class__.__name__ == "CategoryFilter":
-                df_filtered = table_filter(self.df)
-            elif table_filter.__class__.__name__ == "DuplicateFilter":
-                descriptors = self.getDescriptors()
-                if len(descriptors.columns) == 0:
-                    logger.warning(
-                        "Removing duplicates based on descriptors does not \
-                                    work if there are no descriptors"
-                    )
-                else:
-                    df_filtered = table_filter(self.df, descriptors)
-            if df_filtered is not None:
-                self.df = df_filtered.copy()
-
-    def save(self):
-        """Save the data frame to disk and all associated files.
-
-        Returns:
-            str: Path to the saved data frame.
-        """
-        # save data frame
-        self.df.to_pickle(self.storePath)
-        return self.storePath
-
-    def clearFiles(self):
-        """Remove all files associated with this data set from disk."""
-        for file in [
-            f for f in os.listdir(self.storeDir) if f.endswith((".pkl", ".json"))
-        ]:
-            if file.startswith(self.name):
-                os.remove(f"{self.storeDir}/{file}")
-
-    def reload(self):
-        """Reload the data table from disk."""
-        self.df = pd.read_pickle(self.storePath)
-        self.indexCols = self.df.index.name.split("~")
-        assert all(col in self.df.columns for col in self.indexCols)
-
-    @staticmethod
-    def fromFile(filename, *args, **kwargs) -> "PandasDataSet":
-        """Create a `MoleculeTable` instance from by providing a direct path to the
-        pickled data frame in storage."""
-        store_dir = os.path.dirname(filename)
-        name = os.path.basename(filename).split(".")[0]
-        return PandasDataSet(
-            name=name,
-            store_dir=store_dir,
-            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
-            **kwargs,
-        )
-
-    def getDF(self):
-        """Get the data frame this instance manages.
-
-        Returns:
-            pd.DataFrame: The data frame this instance manages.
-        """
-        return self.df
-
-    def shuffle(self, random_state=None):
-        """Shuffle the internal data frame."""
-        self.df = self.df.sample(frac=1, random_state=random_state)
-
-
-class DescriptorTable(PandasDataSet):
-    def __init__(
-        self,
-        calculator,
-        name_prefix: str,
-        df: Optional[pd.DataFrame] = None,
-        store_dir: str = ".",
-        overwrite: bool = False,
-        key_cols: list | None = None,
-        n_jobs: int = 1,
-        chunk_size: int = 1000,
-    ):
-        """Initialize a `DescriptorTable` object.
-        #TODO: Fill in docstring
-        Args:
-            calculator ():
-            name_prefix (str):
-            df (pd.DataFrame):
-            store_dir (str):
-            overwrite (bool):
-            key_cols (list):
-            n_jobs (int):
-            chunk_size (int):
-        """
-        super().__init__(
-            f"{name_prefix}_{calculator.getPrefix()}",
-            df,
-            store_dir,
-            overwrite,
-            key_cols,
-            n_jobs,
-            chunk_size,
-        )
-        self.calculator = calculator
-
-    @property
-    def prefix(self):
-        """Get the prefix of the descriptors in this table."""
-        return self.calculator.getPrefix()
-
-    @property
-    def keyCols(self):
-        """Get the key columns of this table."""
-        return self.indexCols
-
-    def getDescriptors(self):
-        """Get the descriptors in this table."""
-        return self.df[self.getDescriptorNames()]
-
-    def getDescriptorNames(self):
-        """Get the names of the descriptors in this table."""
-        return [x for x in self.df.columns if x.startswith(f"{self.prefix}_")]
-
-    def fillMissing(self, fill_value, names):
-        """Fill missing values in the descriptor table.
-
-        Args:
-            fill_value (float): Value to fill missing values with.
-            names (list): List of descriptor names to fill. If `None`, all descriptors
-                are filled.
-        """
-        columns = names if names else self.getDescriptorNames()
-        self.df[columns] = self.df[columns].fillna(fill_value)
-
-
-class MoleculeTable(PandasDataSet, MoleculeDataSet):
-    """Class that holds and prepares molecule data for modelling and other analyses."""
-    def __init__(
-        self,
-        name: str,
-        df: Optional[pd.DataFrame] = None,
-        smiles_col: str = "SMILES",
-        add_rdkit: bool = False,
-        store_dir: str = ".",
-        overwrite: bool = False,
-        n_jobs: int = 1,
-        chunk_size: int = 50,
-        drop_invalids: bool = True,
-        index_cols: Optional[list[str]] = None,
-    ):
-        """Initialize a `MoleculeTable` object.
-
-        This object wraps a pandas dataframe and provides short-hand methods to prepare
-        molecule data for modelling and analysis.
-
-        Args:
-            name (str): Name of the dataset. You can use this name to load the dataset
-                from disk anytime and create a new instance.
-            df (pd.DataFrame): Pandas dataframe containing the data. If you provide a
-                dataframe for a dataset that already exists on disk,
-            the dataframe from disk will override the supplied data frame. Set
-                'overwrite' to `True` to override the data frame on disk.
-            smiles_col (str): Name of the column containing the SMILES sequences
-                of molecules.
-            add_rdkit (bool): Add RDKit molecule instances to the dataframe.
-                WARNING: This can take a lot of memory.
-            store_dir (str): Directory to store the dataset files. Defaults to the
-                current directory. If it already contains files with the same name,
-                the existing data will be loaded.
-            overwrite (bool): Overwrite existing dataset.
-            n_jobs (int): Number of jobs to use for parallel processing. If <= 0, all
-                available cores will be used.
-            chunk_size (int): Size of chunks to use per job in parallel processing.
-            drop_invalids (bool): Drop invalid molecules from the data frame.
-            index_cols (list[str]): list of columns to use as index. If None, the index
-                will be a custom generated ID."""
-        self.descriptorCalculators = []  # holds all descriptor calculators
-        self.descriptors = []  # holds descriptor tables for each calculator
-        self.descriptorCalculatorsPathPrefix = None
-        super().__init__(name, df, store_dir, overwrite, index_cols, n_jobs, chunk_size)
-        if not self.descriptorCalculatorsPathPrefix:
-            self.descriptorCalculatorsPathPrefix = (
-                f"{self.storePrefix}_descriptor_calculator"
-            )
-        # settings
-        self.smilesCol = smiles_col
-        self.includesRdkit = add_rdkit
-        # add rdkit molecules if requested
-        if self.includesRdkit and "RDMol" not in self.df.columns:
-            PandasTools.AddMoleculeColumnToFrame(
-                self.df,
-                smilesCol=self.smilesCol,
-                molCol="RDMol",
-                includeFingerprints=False,
-            )
-            self.includesRdkit = True
-        # drop invalid columns
-        if drop_invalids:
-            self.dropInvalids()
-
-    def save(self):
-        """Save the dataset to disk."""
-        super().save()
-        # save descriptor calculator
-        for idx, calc in enumerate(self.descriptorCalculators):
-            calc.toFile(f"{self.descriptorCalculatorsPathPrefix}_{calc}.json")
-            self.descriptors[idx].save()
-        return self.storePath
-
-    def reload(self):
-        """Reload the dataset from disk."""
-        super().reload()
-
-        # load descriptor calculators and tables
-        self.descriptorCalculatorsPathPrefix = (
-            f"{self.storePrefix}_descriptor_calculator"
-        )
-        files = [
-            f for f in os.listdir(self.storeDir) if f.endswith(".json") and
-            f.startswith(os.path.basename(self.descriptorCalculatorsPathPrefix))
-        ]
-        for file in files:
-            path = f"{self.storeDir}/{file}"
-            if os.path.exists(path):
-                with open(path, "r", encoding="utf-8") as fh:  # file handle
-                    data = json.load(fh)
-                if "calculator" not in data:
-                    calc_cls = (
-                        "qsprpred.data.utils.descriptorcalculator."
-                        "MoleculeDescriptorsCalculator"
-                    )
-                else:
-                    calc_cls = data["calculator"]
-                calc_cls = import_class(calc_cls)
-                calc = calc_cls.fromFile(path)
-                self.descriptorCalculators.append(calc)
-                self.descriptors.append(self.loadDescriptorsTable(calc))
-
-    def loadDescriptorsTable(self, calc) -> DescriptorTable:
-        """Load a descriptor table from disk.
-
-        Args:
-            calc (DescriptorsCalculator): Descriptor
-
-        Returns:
-            DescriptorTable: Descriptor table.
-        """
-
-        return DescriptorTable(
-            calc,
-            name_prefix=self.name,
-            store_dir=self.storeDir,
-            n_jobs=self.nJobs,
-            chunk_size=self.chunkSize,
-        )
-
-    @staticmethod
-    def fromFile(filename, *args, **kwargs) -> "MoleculeTable":
-        """Create a `MoleculeTable` instance from by providing a direct path to the
-        pickled data frame in storage.
-
-        Args:
-            filename (str): Path to the pickled data frame.
-            *args: Additional arguments to pass to the `MoleculeTable` constructor.
-            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
-                constructor.
-        """
-        store_dir = os.path.dirname(filename)
-        name = os.path.basename(filename).split(".")[0]
-        return MoleculeTable(
-            name=name,
-            store_dir=store_dir,
-            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
-            **kwargs,
-        )
-
-    @staticmethod
-    def fromSMILES(name: str, smiles: list, *args, **kwargs):
-        """Create a `MoleculeTable` instance from a list of SMILES sequences.
-
-        Args:
-            name (str): Name of the data set.
-            smiles (list): list of SMILES sequences.
-            *args: Additional arguments to pass to the `MoleculeTable` constructor.
-            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
-                constructor.
-        """
-        smilescol = "SMILES"
-        df = pd.DataFrame({smilescol: smiles})
-        return MoleculeTable(name, df, *args, smiles_col=smilescol, **kwargs)
-
-    @staticmethod
-    def fromTableFile(name: str, filename: str, sep="\t", *args, **kwargs):
-        """Create a `MoleculeTable` instance from a file containing a table of molecules
-        (i.e. a CSV file).
-
-        Args:
-            name (str): Name of the data set.
-            filename (str): Path to the file containing the table.
-            sep (str): Separator used in the file for different columns.
-            *args: Additional arguments to pass to the `MoleculeTable` constructor.
-            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
-                constructor.
-        """
-        return MoleculeTable(name, pd.read_table(filename, sep=sep), *args, **kwargs)
-
-    @staticmethod
-    def fromSDF(name, filename, smiles_prop, *args, **kwargs):
-        """Create a `MoleculeTable` instance from an SDF file.
-
-        Args:
-            name (str): Name of the data set.
-            filename (str): Path to the SDF file.
-            smiles_prop (str): Name of the property in the SDF file containing the
-                SMILES sequence.
-            *args: Additional arguments to pass to the `MoleculeTable` constructor.
-            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
-                constructor.
-        """
-        # FIXME: the RDKit mols are always added here, which might be unnecessary
-        return MoleculeTable(
-            name,
-            PandasTools.LoadSDF(filename, molColName="RDMol"),
-            smiles_col=smiles_prop,
-            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
-            **kwargs,
-        )
-
-    def checkMols(self, throw: bool = True):
-        """
-        Returns a boolean array indicating whether each molecule is valid or not.
-        If `throw` is `True`, an exception is thrown if any molecule is invalid.
-
-        Args:
-            throw (bool): Whether to throw an exception if any molecule is invalid.
-
-        Returns:
-            mask (pd.Series): Boolean series indicating whether each molecule is valid.
-        """
-        if self.nJobs > 1:
-            with multiprocessing.Pool(self.nJobs) as pool:
-                mask = pool.starmap(
-                    check_smiles_valid,
-                    zip(self.df[self.smilesCol], [throw] * len(self.df)),
-                )
-            return pd.Series(mask, index=self.df.index)
-        else:
-            return self.df[self.smilesCol].apply(check_smiles_valid, throw=throw)
-
-    def dropDescriptors(self, calculator: "DescriptorsCalculator"):  # noqa: F821
-        """
-        Drop descriptors from the data frame
-        that were calculated with a specific calculator.
-
-        Args:
-            calculator (DescriptorsCalculator): DescriptorsCalculator object to
-                use for descriptor calculation.
-        """
-        to_remove = []
-        for idx, calc in enumerate(self.descriptorCalculators):
-            if calc.getPrefix() == calculator.getPrefix():
-                logger.debug(
-                    "Removing existing descriptors with prefix "
-                    f"{self.name}_{calculator.getPrefix()}"
-                )
-                to_remove.append(idx)
-        for idx in reversed(to_remove):
-            self.descriptors[idx].clearFiles()
-            self.descriptors.pop(idx)
-            self.descriptorCalculators.pop(idx)
-
-    def addCustomDescriptors(
-        self,
-        calculator: "CustomDescriptorsCalculator",  # noqa: F821
-        recalculate: bool = False,
-        **kwargs,
-    ):
-        """
-        Add custom descriptors to the data frame using a `CustomDescriptorsCalculator`
-        object.
-
-        Args:
-            calculator (CustomDescriptorsCalculator): CustomDescriptorsCalculator object
-                to use for descriptor calculation.
-            recalculate (bool): Whether to recalculate descriptors even if they are
-                already present in the data frame. If `False`, existing descriptors
-                are kept and no calculation takes place.
-            **kwargs: Additional keyword arguments to pass to the calculator.
-        """
-        if recalculate:
-            self.dropDescriptors(calculator)
-        elif self.getDescriptorNames(prefix=calculator.getPrefix()):
-            logger.warning(
-                f"Custom molecular descriptors already exist in {self.name}. "
-                "Use `recalculate=True` to overwrite them."
-            )
-            return
-        descriptors = calculator(self.df.index, **kwargs)
-        descriptors[self.indexCols] = self.df[self.indexCols]
-        self.attachDescriptors(calculator, descriptors, self.indexCols)
-
-    def attachDescriptors(
-        self,
-        calculator: "DescriptorsCalculator",  # noqa: F821
-        descriptors: pd.DataFrame,
-        index_cols: list,
-    ):
-        """Attach descriptors to the data frame.
-
-        Args:
-            calculator (DescriptorsCalculator): DescriptorsCalculator object to use for
-                descriptor calculation.
-            descriptors (pd.DataFrame): DataFrame containing the descriptors to attach.
-            index_cols (list): List of column names to use as index.
-        """
-        if not self.descriptorCalculators:
-            self.descriptorCalculators = []
-        self.descriptorCalculators.append(calculator)
-        self.descriptors.append(
-            DescriptorTable(
-                calculator,
-                self.name,
-                descriptors,
-                store_dir=self.storeDir,
-                n_jobs=self.nJobs,
-                overwrite=True,
-                key_cols=index_cols,
-                chunk_size=self.chunkSize,
-            )
-        )
-
-    def addDescriptors(
-        self,
-        calculator: "MoleculeDescriptorsCalculator",  # noqa: F821
-        recalculate: bool = False,
-        fail_on_invalid: bool = True,
-    ):
-        """
-        Add descriptors to the data frame using a `DescriptorsCalculator` object.
-
-        Args:
-            calculator (MoleculeDescriptorsCalculator): DescriptorsCalculator object to
-                use for descriptor calculation.
-            recalculate (bool): Whether to recalculate descriptors even if they are
-                already present in the data frame. If `False`, existing descriptors are
-                kept and no calculation takes place.
-            fail_on_invalid (bool): Whether to throw an exception if any molecule
-                is invalid.
-        """
-        if recalculate:
-            self.dropDescriptors(calculator)
-        elif self.getDescriptorNames(prefix=calculator.getPrefix()):
-            logger.warning(
-                f"Molecular descriptors already exist in {self.name}. "
-                "Use `recalculate=True` to overwrite them."
-            )
-            return
-
-        if fail_on_invalid:
-            try:
-                self.checkMols(throw=True)
-            except Exception as exp:
-                logger.error(
-                    f"Cannot add descriptors to {self.name} because it contains one or "
-                    "more invalid molecules. Remove the invalid molecules from your "
-                    "data or try to standardize the data set first with "
-                    "'standardizeSmiles()'. You can also pass 'fail_on_invalid=False' "
-                    "to remove this exception, but the calculation might not be "
-                    "successful or correct. See the following list of invalid molecule "
-                    "SMILES for more information:"
-                )
-                logger.error(
-                    self.df[~self.checkMols(throw=False)][self.smilesCol].to_numpy()
-                )
-                raise exp
-        # get the data frame with the descriptors
-        descriptors = self.apply(
-            calculator, axis=0, subset=[self.smilesCol], result_type="reduce"
-        )
-        descriptors = descriptors.to_list()
-        descriptors = pd.concat(descriptors, axis=0)
-        descriptors.index = self.df.index
-        descriptors[self.indexCols] = self.df[self.indexCols]
-        # add the descriptors to the descriptor list
-        self.attachDescriptors(calculator, descriptors, self.indexCols)
-
-    def getDescriptors(self):
-        """Get the subset of the data frame that contains only descriptors.
-
-        Returns:
-            pd.DataFrame: Data frame containing only descriptors.
-        """
-        join_cols = set()
-        for descriptors in self.descriptors:
-            join_cols.update(set(descriptors.keyCols))
-        join_cols = list(join_cols)
-        ret = self.df[join_cols].copy()
-        ret.reset_index(drop=True, inplace=True)
-        for descriptors in self.descriptors:
-            df_descriptors = descriptors.getDF()
-            ret = ret.merge(
-                df_descriptors,
-                left_on=descriptors.keyCols,
-                how="left",
-                right_index=True,
-                suffixes=("_left", "_right"),
-            )
-            for x in descriptors.keyCols:
-                ret.drop(columns=[f"{x}_right"], inplace=True)
-                ret.rename(columns={f"{x}_left": x}, inplace=True)
-        ret.set_index(self.df.index, inplace=True)
-        ret.drop(columns=join_cols, inplace=True)
-        return ret
-
-    def getDescriptorNames(self, prefix: Optional[str] = None):
-        """Get the names of the descriptors in the data frame.
-
-        Args:
-            prefix (str): Prefix of the descriptors to get. If `None`, all descriptors
-                are returned.
-
-        Returns:
-            list: list of descriptor names.
-        """
-        if not prefix:
-            prefixes = (
-                [f"{self.name}_{x.getPrefix()}" for x in self.descriptorCalculators]
-                if self.descriptorCalculators else []
-            )
-        else:
-            prefixes = [f"{self.name}_{prefix}"]
-        names = []
-        for x in self.descriptors:
-            if f"{self.name}_{x.prefix}" in prefixes:
-                names.extend(x.getDescriptorNames())
-        return names
-
-    @property
-    def hasDescriptors(self):
-        """Check whether the data frame contains descriptors."""
-        return len(self.getDescriptorNames()) > 0
-
-    def getProperties(self):
-        """Get names of all properties/variables saved in the data frame (all columns).
-
-        Returns:
-            list: list of property names.
-        """
-        return self.df.columns
-
-    def hasProperty(self, name):
-        """Check whether a property is present in the data frame.
-
-        Args:
-            name (str): Name of the property.
-
-        Returns:
-            bool: Whether the property is present.
-        """
-        return name in self.df.columns
-
-    def addProperty(self, name: str, data: list):
-        """Add a property to the data frame.
-
-        Args:
-            name (str): Name of the property.
-            data (list): list of property values.
-        """
-        if isinstance(data, pd.Series):
-            if not np.array_equal(data.index.txt, self.df.index.txt):
-                logger.info(
-                    f"Adding property '{name}' to data set might be introducing 'nan' "
-                    "values due to index with pandas series. Make sure the index of "
-                    "the data frame and the series match or convert series to list."
-                )
-        self.df[name] = data
-
-    def removeProperty(self, name):
-        """Remove a property from the data frame.
-
-        Args:
-            name (str): Name of the property to delete.
-        """
-        del self.df[name]
-
-    @staticmethod
-    def _scaffold_calculator(mol, scaffold: Scaffold):
-        """Just a helper method to calculate the scaffold of a molecule more easily."""
-        return scaffold(mol[0])
-
-    def addScaffolds(
-        self,
-        scaffolds: list[Scaffold],
-        add_rdkit_scaffold: bool = False,
-        recalculate: bool = False,
-    ):
-        """Add scaffolds to the data frame.
-
-        A new column is created that contains the SMILES of the corresponding scaffold.
-        If `add_rdkit_scaffold` is set to `True`, a new column is created that contains
-        the RDKit scaffold of the corresponding molecule.
-
-        Args:
-            scaffolds (list): list of `Scaffold` calculators.
-            add_rdkit_scaffold (bool): Whether to add the RDKit scaffold of the molecule
-                as a new column.
-            recalculate (bool): Whether to recalculate scaffolds even if they are
-                already present in the data frame.
-        """
-        for scaffold in scaffolds:
-            if not recalculate and f"Scaffold_{scaffold}" in self.df.columns:
-                continue
-            self.df[f"Scaffold_{scaffold}"] = self.apply(
-                self._scaffold_calculator,
-                func_args=(scaffold, ),
-                subset=[self.smilesCol],
-                axis=1,
-                raw=False,
-            )
-            if add_rdkit_scaffold:
-                PandasTools.AddMoleculeColumnToFrame(
-                    self.df,
-                    smilesCol=f"Scaffold_{scaffold}",
-                    molCol=f"Scaffold_{scaffold}_RDMol",
-                )
-
-    def getScaffoldNames(self, include_mols: bool = False):
-        """Get the names of the scaffolds in the data frame.
-
-        Args:
-            include_mols (bool): Whether to include the RDKit scaffold columns as well.
-
-        Returns:
-            list: List of scaffold names.
-        """
-        return [
-            col for col in self.df.columns if col.startswith("Scaffold_") and
-            (include_mols or not col.endswith("_RDMol"))
-        ]
-
-    def getScaffolds(self, includeMols: bool = False):
-        """Get the subset of the data frame that contains only scaffolds.
-
-        Args:
-            includeMols (bool): Whether to include the RDKit scaffold columns as well.
-
-        Returns:
-            pd.DataFrame: Data frame containing only scaffolds.
-        """
-        if includeMols:
-            return self.df[[
-                col for col in self.df.columns if col.startswith("Scaffold_")
-            ]]
-        else:
-            return self.df[self.getScaffoldNames()]
-
-    @property
-    def hasScaffolds(self):
-        """Check whether the data frame contains scaffolds.
-
-        Returns:
-            bool: Whether the data frame contains scaffolds.
-        """
-        return len(self.getScaffoldNames()) > 0
-
-    def createScaffoldGroups(self, mols_per_group: int = 10):
-        """Create scaffold groups.
-
-        A scaffold group is a list of molecules that share the same scaffold. New
-        columns are created that contain the scaffold group ID and the scaffold group
-        size.
-
-        Args:
-            mols_per_group (int): Number of molecules per scaffold group.
-        """
-        scaffolds = self.getScaffolds(includeMols=False)
-        for scaffold in scaffolds.columns:
-            counts = pd.value_counts(self.df[scaffold])
-            mask = counts.lt(mols_per_group)
-            name = f"ScaffoldGroup_{scaffold}_{mols_per_group}"
-            if name not in self.df.columns:
-                self.df[name] = np.where(
-                    self.df[scaffold].isin(counts[mask].index),
-                    "Other",
-                    self.df[scaffold],
-                )
-
-    def getScaffoldGroups(self, scaffold_name: str, mol_per_group: int = 10):
-        """Get the scaffold groups for a given combination of scaffold and number of
-        molecules per scaffold group.
-
-        Args:
-            scaffold_name (str): Name of the scaffold.
-            mol_per_group (int): Number of molecules per scaffold group.
-
-        Returns:
-            list: list of scaffold groups.
-        """
-        return self.df[self.df.columns[self.df.columns.str.startswith(
-            f"ScaffoldGroup_{scaffold_name}_{mol_per_group}"
-        )][0]]
-
-    @property
-    def hasScaffoldGroups(self):
-        """Check whether the data frame contains scaffold groups.
-
-        Returns:
-            bool: Whether the data frame contains scaffold groups.
-        """
-        return (
-            len([col for col in self.df.columns if col.startswith("ScaffoldGroup_")])
-            > 0
-        )
-
-    def standardizeSmiles(self, smiles_standardizer, drop_invalid=True):
-        """Apply smiles_standardizer to the compounds in parallel
-
-        Args:
-            smiles_standardizer (): either `None` to skip the
-                standardization, `chembl`, `old`, or a partial function that reads
-                and standardizes smiles.
-            drop_invalid (bool): whether to drop invalid SMILES from the data set.
-                Defaults to `True`. If `False`, invalid SMILES will be retained in
-                their original form.
-
-        Raises:
-            ValueError: when smiles_standardizer is not a callable or one of the
-                predefined strings.
-        """
-        std_jobs = self.nJobs
-        if smiles_standardizer is None:
-            return
-        if callable(smiles_standardizer):
-            try:  # Prevents weird error if the user inputs a lambda function
-                pickle.dumps(smiles_standardizer)
-            except pickle.PicklingError:
-                logger.warning("Standardizer is not pickleable. Will set n_jobs to 1")
-                std_jobs = 1
-            std_func = smiles_standardizer
-        elif smiles_standardizer.lower() == "chembl":
-            std_func = chembl_smi_standardizer
-        elif smiles_standardizer.lower() == "old":
-            std_func = old_standardize_sanitize
-        else:
-            raise ValueError("Standardizer must be either 'chembl', or a callable")
-        if std_jobs == 1:
-            std_smi = [std_func(smi) for smi in self.df[self.smilesCol].values]
-        else:
-            with Pool(std_jobs) as pool:
-                std_smi = pool.map(std_func, self.df[self.smilesCol].values)
-        self.df[self.smilesCol] = std_smi
-        if drop_invalid:
-            self.dropInvalids()
-
-    def dropInvalids(self):
-        """
-        Drops invalid molecules from the data set.
-
-        Returns:
-            mask (pd.Series): Boolean mask of invalid molecules in the original
-                data set.
-        """
-        invalid_mask = self.checkMols(throw=False)
-        self.df.drop(self.df.index[~invalid_mask], inplace=True)
-        invalids = (~invalid_mask).sum()
-        if invalids > 0:
-            logger.warning(f"Dropped {invalids} invalid molecules from the data set.")
-        return ~invalid_mask
-
-
-class TargetProperty:
-    """Target property for QSPRmodelling class.
-
-    Attributes:
-        name (str): name of the target property
-        task (Literal[TargetTasks.REGRESSION,
-              TargetTasks.SINGLECLASS,
-              TargetTasks.MULTICLASS]): task type for the target property
-        th (int): threshold for the target property, only used for classification tasks
-        nClasses (int): number of classes for the target property, only used for
-            classification tasks
-        transformer (Callable): function to transform the target property
-    """
-    def __init__(
-        self,
-        name: str,
-        task: Literal[TargetTasks.REGRESSION, TargetTasks.SINGLECLASS,
-                      TargetTasks.MULTICLASS],
-        original_name: Optional[str] = None,
-        th: Optional[list[float] | str] = None,
-        n_classes: Optional[int] = None,
-        transformer: Optional[Callable] = None,
-    ):
-        """Initialize a TargetProperty object.
-
-        Args:
-            name (str): name of the target property
-            task (Literal[TargetTasks.REGRESSION,
-              TargetTasks.SINGLECLASS,
-              TargetTasks.MULTICLASS]): task type for the target property
-            original_name (str): original name of the target property, if not specified,
-                the name is used
-            th (list[float] | str): threshold for the target property, only used
-                for classification tasks
-            n_classes (int): number of classes for the target property (only used if th
-                is precomputed, otherwise it is inferred)
-            transformer (Callable): function to transform the target property
-        """
-        self.name = name
-        self.originalName = original_name if original_name is not None else name
-        self.task = task
-        if task.isClassification():
-            assert (
-                th is not None
-            ), f"Threshold not specified for classification task {name}"
-            self.th = th
-            if isinstance(th, str) and th == "precomputed":
-                self.nClasses = n_classes
-        self.transformer = transformer
-
-    @property
-    def th(self):
-        """Set the threshold for the target property.
-
-        Args:
-            th (Union[list[int], str]): threshold for the target property
-        """
-        return self._th
-
-    @th.setter
-    def th(self, th: list[float] | str):
-        """Set the threshold for the target property and the number of classes if th is
-        not precomputed."""
-        assert (
-            self.task.isClassification()
-        ), "Threshold can only be set for classification tasks"
-        self._th = th
-        if isinstance(th, str):
-            assert th == "precomputed", f"Invalid threshold {th}"
-        else:
-            self._nClasses = len(self.th) - 1 if len(self.th) > 1 else 2
-
-    @th.deleter
-    def th(self):
-        """Delete the threshold for the target property and the number of classes."""
-        del self._th
-        del self._nClasses
-
-    @property
-    def nClasses(self):
-        """Get the number of classes for the target property."""
-        return self._nClasses
-
-    @nClasses.setter
-    def nClasses(self, nClasses: int):
-        """Set the number of classes for the target property if th is precomputed.
-
-        Args:
-            nClasses (int): number of classes
-        """
-        assert (
-            self.th == "precomputed"
-        ), "Number of classes can only be set if threshold is precomputed"
-        self._nClasses = nClasses
-
-    def __repr__(self):
-        """Representation of the TargetProperty object."""
-        if self.task.isClassification() and self.th is not None:
-            return f"TargetProperty(name={self.name}, task={self.task}, th={self.th})"
-        else:
-            return f"TargetProperty(name={self.name}, task={self.task})"
-
-    def __str__(self):
-        """Return string identifier of the TargetProperty object."""
-        return self.name
-
-    @classmethod
-    def fromDict(cls, d: dict):
-        """Create a TargetProperty object from a dictionary.
-
-        Args:
-            d (dict): dictionary containing the target property information
-            task_from_str (bool): whether to convert the task from a string
-
-        Returns:
-            TargetProperty: TargetProperty object
-        """
-        if isinstance(d["task"], str):
-            return TargetProperty(
-                **{
-                    k: TargetTasks[v] if k == "task" else v
-                    for k, v in d.items()
-                }
-            )
-        else:
-            return TargetProperty(**d)
-
-    @classmethod
-    def fromList(cls, _list: list[dict], task_from_str: bool = False):
-        """Create a list of TargetProperty objects from a list of dictionaries.
-
-        Args:
-            _list (list): list of dictionaries containing the target property
-                information
-            task_from_str (bool): whether to convert the task from a string
-
-        Returns:
-            list[TargetProperty]: list of TargetProperty objects
-        """
-        if task_from_str:
-            return [
-                TargetProperty(
-                    **{
-                        k: TargetTasks[v] if k == "task" else v
-                        for k, v in d.items()
-                    }
-                ) for d in _list
-            ]
-        else:
-            return [TargetProperty(**d) for d in _list]
-
-    @staticmethod
-    def toList(_list: list, task_as_str: bool = False, drop_transformer: bool = True):
-        """Convert a list of TargetProperty objects to a list of dictionaries.
-
-        Args:
-            _list (list): list of TargetProperty objects
-            task_as_str (bool): whether to convert the task to a string
-
-        Returns:
-            list[dict]: list of dictionaries containing the target property information
-        """
-        target_props = []
-        for target_prop in _list:
-            target_props.append(
-                {
-                    "name": target_prop.name,
-                    "task": target_prop.task.name if task_as_str else target_prop.task,
-                    "original_name": target_prop.originalName,
-                }
-            )
-            if target_prop.task.isClassification():
-                target_props[-1].update(
-                    {
-                        "th": target_prop.th,
-                        "n_classes": target_prop.nClasses
-                    }
-                )
-            if not drop_transformer:
-                target_props[-1].update({"transformer": target_prop.transformer})
-        return target_props
-
-    @staticmethod
-    def selectFromList(_list: list, names: list, original_names: bool = False):
-        """Select a subset of TargetProperty objects from a list of TargetProperty
-        objects.
-
-        Args:
-            _list (list): list of TargetProperty objects
-            names (list): list of names of the target properties to be selected
-            original_names (bool): whether to use the original names of the target
-                properties
-
-        Returns:
-            list[TargetProperty]: list of TargetProperty objects
-        """
-        if original_names:
-            return [t for t in _list if t.originalName in names]
-        return [t for t in _list if t.name in names]
-
-    @staticmethod
-    def getNames(_list: list):
-        """Get the names of the target properties from a list of TargetProperty objects.
-
-        Args:
-            _list (list): list of TargetProperty objects
-
-        Returns:
-            list[str]: list of names of the target properties
-        """
-        return [t.name for t in _list]
-
-    @staticmethod
-    def getOriginalNames(_list: list):
-        """Get the original names of the target properties from a list of TargetProperty
-        objects.
-
-        Args:
-            _list (list): list of TargetProperty objects
-
-        Returns:
-            list[str]: list of original names of the target properties
-        """
-        return [t.originalName for t in _list]
-
-
-class QSPRDataset(MoleculeTable):
-    """Prepare dataset for QSPR model training.
-
-    It splits the data in train and test set, as well as creating cross-validation
-    folds. Optionally low quality data is filtered out. For classification the dataset
-    samples are labelled as active/inactive.
-
-    Attributes:
-        targetProperties (str) : property to be predicted with QSPRmodel
-        df (pd.dataframe) : dataset
-        X (np.ndarray/pd.DataFrame) : m x n feature matrix for cross validation, where m
-            is the number of samplesand n is the number of features.
-        y (np.ndarray/pd.DataFrame) : m-d label array for cross validation, where m is
-            the number of samples and equals to row of X.
-        X_ind (np.ndarray/pd.DataFrame) : m x n Feature matrix for independent set,
-            where m is the number of samples and n is the number of features.
-        y_ind (np.ndarray/pd.DataFrame) : m-l label array for independent set, where m
-            is the number of samples and equals to row of X_ind, and l is the number of
-            types.
-        featureNames (list of str) : feature names
-    """
-    def __init__(
-        self,
-        name: str,
-        target_props: list[TargetProperty | dict],
-        df: Optional[pd.DataFrame] = None,
-        smiles_col: str = "SMILES",
-        add_rdkit: bool = False,
-        store_dir: str = ".",
-        overwrite: bool = False,
-        n_jobs: int = 1,
-        chunk_size: int = 50,
-        drop_invalids: bool = True,
-        drop_empty: bool = True,
-        target_imputer: Optional[Callable] = None,
-        index_cols: Optional[list[str]] = None,
-    ):
-        """Construct QSPRdata, also apply transformations of output property if
-        specified.
-
-        Args:
-            name (str): data name, used in saving the data
-            target_props (list[TargetProperty | dict]): target properties, names
-                should correspond with target columnname in df
-            df (pd.DataFrame, optional): input dataframe containing smiles and target
-                property. Defaults to None.
-            smiles_col (str, optional): name of column in df containing SMILES.
-                Defaults to "SMILES".
-            add_rdkit (bool, optional): if true, column with rdkit molecules will be
-                added to df. Defaults to False.
-            store_dir (str, optional): directory for saving the output data.
-                Defaults to '.'.
-            overwrite (bool, optional): if already saved data at output dir if should
-                be overwritten. Defaults to False.
-            n_jobs (int, optional): number of parallel jobs. If <= 0, all available
-                cores will be used. Defaults to 1.
-            chunk_size (int, optional): chunk size for parallel processing.
-                Defaults to 50.
-            drop_invalids (bool, optional): if true, invalid SMILES will be dropped.
-                Defaults to True.
-            drop_empty (bool, optional): if true, rows with empty target property will
-                be removed.
-            target_imputer (Callable, optional): imputer for missing target property
-                values. Defaults to None.
-            index_cols (list[str], optional): columns to be used as index in the
-                dataframe. Defaults to `None` in which case a custom ID will be
-                generated.
-
-        Raises:
-            `ValueError`: Raised if threshold given with non-classification task.
-        """
-        super().__init__(
-            name,
-            df,
-            smiles_col,
-            add_rdkit,
-            store_dir,
-            overwrite,
-            n_jobs,
-            chunk_size,
-            drop_invalids,
-            index_cols,
-        )
-        # load metadata if saved already
-        self.metaInfo = None
-        try:
-            self.metaInfo = QSPRDataset.loadMetadata(name, store_dir)
-        except FileNotFoundError:
-            pass
-        # load names of descriptors to use as training features
-        self.featureNames = self.getFeatureNames()
-        # load target properties
-        self.setTargetProperties(target_props, drop_empty, target_imputer)
-        # load standardizers for features
-        self.feature_standardizer = self.loadFeatureStandardizer()
-        if not self.feature_standardizer:
-            self.feature_standardizer = None
-        self.fold_generator = self.getDefaultFoldGenerator()
-        # populate feature matrix and target property array
-        self.X = None
-        self.y = None
-        self.X_ind = None
-        self.y_ind = None
-        self.restoreTrainingData()
-        logger.info(
-            f"Dataset '{self.name}' created for target "
-            f"targetProperties: '{self.targetProperties}'."
-        )
-
-    @staticmethod
-    def fromTableFile(name: str, filename: str, sep: str = "\t", *args, **kwargs):
-        r"""Create QSPRDataset from table file (i.e. CSV or TSV).
-
-        Args:
-            name (str): name of the data set
-            filename (str): path to the table file
-            sep (str, optional): separator in the table file. Defaults to "\t".
-            *args: additional arguments for QSPRDataset constructor
-            **kwargs: additional keyword arguments for QSPRDataset constructor
-        Returns:
-            QSPRDataset: `QSPRDataset` object
-        """
-        return QSPRDataset(
-            name,
-            df=pd.read_table(filename, sep=sep),
-            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
-            **kwargs,
-        )
-
-    @staticmethod
-    def fromSDF(name: str, filename: str, smiles_prop: str, *args, **kwargs):
-        """Create QSPRDataset from SDF file.
-
-        It is currently not implemented for QSPRDataset, but you can convert from
-        'MoleculeTable' with the 'fromMolTable' method.
-
-        Args:
-            name (str): name of the data set
-            filename (str): path to the SDF file
-            smiles_prop (str): name of the property in the SDF file containing SMILES
-            *args: additional arguments for QSPRDataset constructor
-            **kwargs: additional keyword arguments for QSPRDataset constructor
-        """
-        raise NotImplementedError(
-            f"SDF loading not implemented for {QSPRDataset.__name__}, yet. You can "
-            "convert from 'MoleculeTable' with 'fromMolTable'."
-        )
-
-    def setTargetProperties(
-        self,
-        target_props: list[TargetProperty],
-        drop_empty: bool = True,
-        target_imputer: Optional[Callable] = None,
-    ):
-        """Set list of target properties and apply transformations if specified.
-
-        Args:
-            target_props (list[TargetProperty]): list of target properties
-        """
-        # check target properties validity
-        assert isinstance(target_props, list), (
-            "target_props should be a list of TargetProperty objects or dictionaries "
-            "initialize TargetProperties from."
-        )
-        if isinstance(target_props[0], dict):
-            assert all(isinstance(d, dict) for d in target_props), (
-                "target_props should be a list of TargetProperty objects or "
-                "dictionaries to initialize TargetProperties from, not a mix."
-            )
-            self.targetProperties = TargetProperty.fromList(target_props)
-        else:
-            assert all(isinstance(d, TargetProperty) for d in target_props), (
-                "target_props should be a list of TargetProperty objects or "
-                "dictionaries to initialize TargetProperties from, not a mix."
-            )
-            self.targetProperties = target_props
-        assert all(
-            prop in self.df.columns for prop in self.targetPropertyNames
-        ), "Not all target properties in dataframe columns."
-        # transform target properties
-        for target_prop in self.targetProperties:
-            if target_prop.transformer is not None:
-                transformed_prop = f"{target_prop.name}_transformed"
-                self.transform(
-                    [target_prop.name],
-                    target_prop.transformer,
-                    addAs=[transformed_prop],
-                )
-                target_prop.name = transformed_prop
-        # drop rows with missing smiles/no target property for any of
-        # the target properties
-        if drop_empty:
-            self.dropEmpty()
-        # impute missing target property values
-        if target_imputer is not None:
-            self.imputeTargetProperties(target_imputer)
-        # convert classification targets to integers
-        for target_prop in self.targetProperties:
-            if target_prop.task.isClassification():
-                self.makeClassification(target_prop)
-
-    def dropEmpty(self):
-        """Drop rows with empty target property value from the data set."""
-        self.df.dropna(subset=([self.smilesCol]), inplace=True)
-        self.df.dropna(subset=(self.targetPropertyNames), how="all", inplace=True)
-
-    def imputeTargetProperties(self, imputer: Callable):
-        """Impute missing target property values.
-
-        Args:
-            imputer (Callable): imputer object, should have a fit and transform method.
-        """
-        names = self.targetPropertyNames
-        for idx, target_prop in enumerate(self.targetProperties):
-            self.targetProperties[idx].name = f"{target_prop.name}_imputed"
-        self.df[self.targetPropertyNames] = imputer.fit_transform(self.df[names])
-
-    @property
-    def hasFeatures(self):
-        """Check whether the currently selected set of features is not empty."""
-        return True if (self.featureNames and len(self.featureNames) > 0) else False
-
-    def getFeatureNames(self) -> list[str]:
-        """Get current feature names for this data set.
-
-        Returns:
-            list[str]: list of feature names
-        """
-        features = None if not self.hasDescriptors else self.getDescriptorNames()
-        if self.descriptorCalculators:
-            features = []
-            for calc in self.descriptorCalculators:
-                prefix = calc.getPrefix()
-                for descset in calc.descSets:
-                    features.extend(
-                        [f"{prefix}_{descset}_{x}" for x in descset.descriptors]
-                    )
-        if (
-            self.metaInfo and not features and ("feature_names" in self.metaInfo) and
-            (self.metaInfo["feature_names"] is not None)
-        ):
-            features.extend(
-                [x for x in self.metaInfo["feature_names"] if x not in features]
-            )
-        return features
-
-    def restoreTrainingData(self):
-        """Restore training data from the data frame.
-
-        If the data frame contains a column 'Split_IsTrain',
-        the data will be split into training and independent sets. Otherwise, the
-            independent set will
-        be empty. If descriptors are available, the resulting training matrices will
-            be featurized.
-        """
-        self.loadDataToSplits()
-        self.featurizeSplits()
-
-    def makeRegression(self, target_property: TargetProperty | str):
-        """Switch to regression task using the given target property.
-
-        Args:
-            target_property (str): name of the target property to use for regression
-        """
-        if isinstance(target_property, str):
-            target_property = self.getTargetProperties(
-                [target_property], original_names=True
-            )[0]
-        target_property.name = target_property.originalName
-        target_property.task = TargetTasks.REGRESSION
-        del target_property.th
-        self.restoreTrainingData()
-
-    def makeClassification(
-        self, target_property: TargetProperty | str, th: Optional[list[float]] = None
-    ):
-        """Switch to classification task using the given threshold values.
-
-        Args:
-            target_property (TargetProperty): Target property to use for classification
-                or name of the target property.
-            th (list[float], optional): list of threshold values. If not provided, the
-                values will be inferred from th specified in TargetProperty.
-                Defaults to None.
-        """
-        if th is not None:
-            assert (
-                isinstance(th, list) or th == "precomputed"
-            ), "Threshold values should be provided as a list of floats."
-            if isinstance(th, list):
-                assert (
-                    len(th) > 0
-                ), "Threshold values should be provided as a list of floats."
-
-        if isinstance(target_property, str):
-            target_property = self.getTargetProperties(
-                [target_property], original_names=True
-            )[0]
-
-        # check if the column only has nan values
-        if self.df[target_property.name].isna().all():
-            logger.debug(
-                f"Target property {target_property.name}"
-                " is all nan, assuming predictor."
-            )
-            return target_property
-
-        # if no threshold values provided, use the ones specified in the TargetProperty
-        if th is None:
-            assert hasattr(target_property, "th"), (
-                "Target property does not have a threshold attribute and "
-                "no threshold specified in function args."
-            )
-            th = target_property.th
-
-        new_prop = f"{target_property.originalName}_class"
-
-        if th == "precomputed":
-            self.df[new_prop] = self.df[target_property.originalName]
-            assert all(
-                value is None or (type(value) in (int, bool)) or
-                (isinstance(value, float) and value.is_integer())
-                for value in self.df[new_prop]
-            ), "Precomputed classification target must be integers or booleans."
-            nClasses = len(self.df[new_prop].dropna().unique())
-            target_property.task = (
-                TargetTasks.MULTICLASS if nClasses > 2  # noqa: PLR2004
-                else TargetTasks.SINGLECLASS
-            )
-            target_property.th = th
-            target_property.nClasses = nClasses
-            target_property.name = new_prop
-        else:
-            assert len(th) > 0, "Threshold list must contain at least one value."
-            if len(th) > 1:
-                assert len(th) > 3, (  # noqa: PLR2004c
-                    "For multi-class classification, "
-                    "set more than 3 values as threshold."
-                )
-                assert max(self.df[target_property.originalName]) <= max(th), (
-                    "Make sure final threshold value is not smaller "
-                    "than largest value of property"
-                )
-                assert min(self.df[target_property.originalName]) >= min(th), (
-                    "Make sure first threshold value is not larger "
-                    "than smallest value of property"
-                )
-                self.df[f"{new_prop}_intervals"] = pd.cut(
-                    self.df[target_property.originalName], bins=th, include_lowest=True
-                ).astype(str)
-                self.df[new_prop] = LabelEncoder().fit_transform(
-                    self.df[f"{new_prop}_intervals"]
-                )
-            else:
-                self.df[new_prop] = self.df[target_property.originalName] > th[0]
-            target_property.task = (
-                TargetTasks.SINGLECLASS if len(th) == 1 else TargetTasks.MULTICLASS
-            )
-            target_property.th = th
-            target_property.name = new_prop
-        self.restoreTrainingData()
-        logger.info("Target property converted to classification.")
-        return target_property
-
-    @staticmethod
-    def loadMetadata(name: str, store_dir: str):
-        """Load metadata from a JSON file.
-
-        Args:
-            name (str): name of the data set
-            store_dir (str): directory where the data set is stored
-        """
-        with open(os.path.join(store_dir, f"{name}_meta.json")) as f:
-            meta = json.load(f)
-            meta["init"]["target_props"] = TargetProperty.fromList(
-                meta["init"]["target_props"], task_from_str=True
-            )
-            return meta
-
-    @staticmethod
-    def fromFile(filename: str, *args, **kwargs) -> "QSPRDataset":
-        """Load QSPRDataset from the saved file directly.
-
-        Args:
-            filename (str): path to the saved file
-            args: additional arguments to pass to the constructor
-            kwargs: additional keyword arguments to pass to the constructor
-
-        Returns:
-            QSPRDataset: loaded data set
-        """
-        store_dir = os.path.dirname(filename)
-        name = os.path.basename(filename).rsplit("_", 1)[0]
-        meta = QSPRDataset.loadMetadata(name, store_dir)
-        return QSPRDataset(
-            *args, name=name, store_dir=store_dir, **meta["init"], **kwargs
-        )
-
-    @staticmethod
-    def fromMolTable(
-        mol_table: MoleculeTable,
-        target_props: list[TargetProperty | dict],
-        name=None,
-        **kwargs,
-    ) -> "QSPRDataset":
-        """Create QSPRDataset from a MoleculeTable.
-
-        Args:
-            mol_table (MoleculeTable): MoleculeTable to use as the data source
-            target_props (list): list of target properties to use
-            name (str, optional): name of the data set. Defaults to None.
-            kwargs: additional keyword arguments to pass to the constructor
-
-        Returns:
-            QSPRDataset: created data set
-        """
-        kwargs["store_dir"] = (
-            mol_table.storeDir if "store_dir" not in kwargs else kwargs["store_dir"]
-        )
-        name = mol_table.name if name is None else name
-        ds = QSPRDataset(name, target_props, mol_table.getDF(), **kwargs)
-        ds.descriptorCalculators = mol_table.descriptorCalculators
-        ds.descriptors = mol_table.descriptors
-        return ds
-
-    def addCustomDescriptors(
-        self,
-        calculator: "CustomDescriptorsCalculator",  # noqa: F821
-        recalculate: bool = False,
-        featurize: bool = True,
-        **kwargs,
-    ):
-        """Add custom descriptors to the data set.
-
-        If descriptors are already present, they will be recalculated if `recalculate`
-        is `True`.
-
-        Args:
-            calculator (CustomDescriptorsCalculator): calculator instance to use for
-                descriptor calculation
-            recalculate (bool, optional): whether to recalculate descriptors if they
-                are already present. Defaults to `False`.
-            featurize (bool, optional): whether to featurize the data set splits
-                after adding descriptors. Defaults to `True`.
-            kwargs: additional keyword arguments to pass to the calculator
-        """
-        super().addCustomDescriptors(calculator, recalculate, **kwargs)
-        self.featurize(update_splits=featurize)
-
-    def addDescriptors(
-        self,
-        calculator: "MoleculeDescriptorsCalculator",  # noqa: F821
-        recalculate: bool = False,
-        featurize: bool = True,
-    ):
-        """Add descriptors to the data set.
-
-        If descriptors are already present, they will be recalculated if `recalculate`
-        is `True`. Featurization will be performed after adding descriptors if
-        `featurize` is `True`. Featurazation converts current data matrices to pure
-        numeric matrices of selected descriptors (features).
-
-        Args:
-            calculator (MoleculeDescriptorsCalculator): calculator instance to use for
-                descriptor calculation
-            recalculate (bool, optional): whether to recalculate descriptors if they are
-                already present. Defaults to `False`.
-            featurize (bool, optional): whether to featurize the data set splits after
-                adding descriptors. Defaults to `True`.
-        """
-        super().addDescriptors(calculator, recalculate)
-        self.featurize(update_splits=featurize)
-
-    def featurize(self, update_splits=True):
-        self.featureNames = self.getFeatureNames()
-        if update_splits:
-            self.featurizeSplits()
-
-    def saveSplit(self):
-        """Save split data to the managed data frame."""
-        if self.X is not None:
-            self.df["Split_IsTrain"] = self.df.index.isin(self.X.index)
-        else:
-            logger.debug("No split data available. Skipping split data save.")
-
-    def save(self, save_split: bool = True):
-        """Save the data set to file and serialize metadata.
-
-        Args:
-            save_split (bool): whether to save split data to the managed data frame.
-        """
-        if save_split:
-            self.saveSplit()
-        super().save()
-
-        # save metadata
-        self.saveMetadata()
-
-    def split(self, split: DataSplit, featurize: bool = False):
-        """Split dataset into train and test set.
-
-        You can either split tha data frame itself or you can set `featurize` to `True`
-        if you want to use feature matrices instead of the raw data frame.
-
-        Args:
-            split (DataSplit) :
-                split instance orchestrating the split
-            featurize (bool):
-                whether to featurize the data set splits after splitting.
-                Defaults to `False`.
-
-        """
-        if (
-            hasattr(split, "hasDataSet") and hasattr(split, "setDataSet") and
-            not split.hasDataSet
-        ):
-            split.setDataSet(self)
-        # split the data into train and test
-        folds = Folds(split)
-        self.X, self.X_ind, self.y, self.y_ind, train_index, test_index = next(
-            folds.iterFolds(self.df, self.df[self.targetPropertyNames])
-        )
-        self.X = self.df.iloc[train_index, :]
-        self.X_ind = self.df.iloc[test_index, :]
-        self.y = self.df.iloc[train_index, :][self.targetPropertyNames]
-        self.y_ind = self.df.iloc[test_index, :][self.targetPropertyNames]
-        # select target properties
-        logger.info("Total: train: %s test: %s" % (len(self.y), len(self.y_ind)))
-        for prop in self.targetProperties:
-            logger.info("Target property: %s" % prop.name)
-            if prop.task == TargetTasks.SINGLECLASS:
-                logger.info(
-                    "    In train: active: %s not active: %s" % (
-                        sum(self.y[prop.name]),
-                        len(self.y[prop.name]) - sum(self.y[prop.name]),
-                    )
-                )
-                logger.info(
-                    "    In test:  active: %s not active: %s\n" % (
-                        sum(self.y_ind[prop.name]),
-                        len(self.y_ind[prop.name]) - sum(self.y_ind[prop.name]),
-                    )
-                )
-            if prop.task == TargetTasks.MULTICLASS:
-                logger.info("train: %s" % self.y[prop.name].value_counts())
-                logger.info("test: %s\n" % self.y_ind[prop.name].value_counts())
-                try:
-                    assert np.all([x > 0 for x in self.y[prop.name].value_counts()])
-                    assert np.all([x > 0 for x in self.y_ind[prop.name].value_counts()])
-                except AssertionError as err:
-                    logger.exception(
-                        "All bins in multi-class classification "
-                        "should contain at least one sample"
-                    )
-                    raise err
-
-                if self.y[prop.name].dtype.name == "category":
-                    self.y[prop.name] = self.y[prop.name].cat.codes
-                    self.y_ind[prop.name] = self.y_ind[prop.name].cat.codes
-        # convert splits to features if required
-        if featurize:
-            self.featurizeSplits()
-
-    def loadDataToSplits(self):
-        """Load the data frame into the train and test splits.
-
-        Loads only if the information is available. Otherwise, the whole data
-        set will be regarded as the training set and the test set will have zero length.
-        """
-        self.X = self.df
-        self.y = self.df[self.targetPropertyNames]
-
-        # split data into training and independent sets if saved previously
-        if "Split_IsTrain" in self.df.columns:
-            self.X = self.df.query("Split_IsTrain")
-            self.X_ind = self.df.query("~Split_IsTrain")
-            self.y = self.X[self.targetPropertyNames]
-            self.y_ind = self.X_ind[self.targetPropertyNames]
-        else:
-            self.X_ind = self.X.drop(self.X.index)
-            self.y_ind = self.y.drop(self.y.index)
-
-    def loadDescriptorsToSplits(
-        self, shuffle: bool = True, random_state: Optional[int] = None
-    ):
-        """Load all available descriptors into the train and test splits.
-
-        If no descriptors are available, an exception will be raised.
-
-        args:
-            shuffle (bool): whether to shuffle the training and test sets
-            random_state (int): random state for shuffling
-
-        Raises:
-            ValueError: if no descriptors are available
-        """
-        if not self.hasDescriptors:
-            raise ValueError(
-                "No descriptors available. Cannot load descriptors to splits."
-            )
-
-        descriptors = self.getDescriptors()
-        self.X = descriptors.loc[self.X.index, :]
-        self.y = self.df.loc[self.y.index, self.targetPropertyNames]
-
-        if self.X_ind is not None and self.y_ind is not None:
-            self.X_ind = descriptors.loc[self.X_ind.index, :]
-            self.y_ind = self.df.loc[self.y_ind.index, self.targetPropertyNames]
-        else:
-            self.X_ind = pd.DataFrame(columns=self.X.columns)
-            self.y_ind = pd.DataFrame(columns=[self.targetPropertyNames])
-
-        # shuffle the training and test sets
-        if shuffle:
-            self.X = self.X.sample(frac=1, random_state=random_state)
-            self.X_ind = self.X_ind.sample(frac=1, random_state=random_state)
-            self.y = self.y.loc[self.X.index, :]
-            self.y_ind = self.y_ind.loc[self.X_ind.index, :]
-
-    def featurizeSplits(self, shuffle: bool = True, random_state: Optional[int] = None):
-        """If the data set has descriptors, load them into the train and test splits.
-
-        If no descriptors are available, remove all features from
-        the splits They will become zero length along the feature axis (columns), but
-        will retain their original length along the sample axis (rows). This is useful
-        for the case where the data set has no descriptors, but the user wants to retain
-        train and test splits.
-
-        shuffle (bool): whether to shuffle the training and test sets
-        random_state (int): random state for shuffling
-        """
-        if self.featureNames:
-            self.loadDescriptorsToSplits(shuffle=shuffle, random_state=random_state)
-            self.X = self.X[self.featureNames]
-            self.X_ind = self.X_ind[self.featureNames]
-        else:
-            self.X = self.X.drop(self.X.columns, axis=1)
-            self.X_ind = self.X_ind.drop(self.X_ind.columns, axis=1)
-
-    def fillMissing(self, fill_value: float, columns: Optional[list[str]] = None):
-        """Fill missing values in the data set with a given value.
-
-        Args:
-            fill_value (float): value to fill missing values with
-            columns (list[str], optional): columns to fill missing values in.
-                Defaults to None.
-        """
-        for desc in self.descriptors:
-            desc.fillMissing(fill_value, columns)
-        logger.warning("Missing values filled with %s" % fill_value)
-
-    def filterFeatures(self, feature_filters: list[Callable]):
-        """Filter features in the data set.
-
-        Args:
-            feature_filters (list[Callable]): list of feature filter functions that take
-                X feature matrix and y target vector as arguments
-        """
-        if not self.hasFeatures:
-            raise ValueError("No features to filter")
-
-        if self.X.shape[1] == 1:
-            logger.warning("Only one feature present. Skipping feature filtering.")
-            return
-        else:
-            for featurefilter in feature_filters:
-                self.X = featurefilter(self.X, self.y)
-
-            self.featureNames = self.X.columns.to_list()
-            if self.X_ind is not None:
-                self.X_ind = self.X_ind[self.featureNames]
-            logger.info(f"Selected features: {self.featureNames}")
-
-            # update descriptor calculator
-            if self.descriptorCalculators is not None:
-                for calc in self.descriptorCalculators:
-                    prefix = calc.getPrefix()
-                    calc.keepDescriptors(
-                        [x for x in self.featureNames if x.startswith(prefix)]
-                    )
-
-    def setFeatureStandardizer(self, feature_standardizer):
-        """Set feature standardizer.
-
-        Args:
-            feature_standardizer (SKLearnStandardizer | BaseEstimator): feature
-                standardizer
-        """
-        if not hasattr(feature_standardizer, "toFile"):
-            feature_standardizer = SKLearnStandardizer(feature_standardizer)
-        self.feature_standardizer = feature_standardizer
-
-    def addFeatures(
-        self,
-        feature_calculators: list["DescriptorsCalculator"] | None = None,  # noqa: F821
-        recalculate: bool = False,
-    ):
-        """Add features to the data set.
-
-        Args:
-            feature_calculators (List[DescriptorsCalculator], optional): list of
-                feature calculators to add. Defaults to None.
-            recalculate (bool): if True, recalculate features even if they are already
-                present in the data set. Defaults to False.
-        """
-        if feature_calculators is not None:
-            for calc in feature_calculators:
-                # we avoid isinstance() here to avoid circular imports
-                if calc.__class__.__name__ == "MoleculeDescriptorsCalculator":
-                    self.addDescriptors(calc, recalculate=recalculate, featurize=False)
-                else:
-                    raise ValueError("Unknown feature calculator type: %s" % type(calc))
-
-    def prepareDataset(
-        self,
-        smiles_standardizer: str | Callable | None = "chembl",
-        datafilters: list = [RepeatsFilter(keep=True)],
-        split=None,
-        fold=None,
-        feature_calculators: list | None = None,
-        feature_filters: list | None = None,
-        feature_standardizer: Optional[SKLearnStandardizer] = None,
-        feature_fill_value: float = np.nan,
-        recalculate_features: bool = False,
-        shuffle: bool = True,
-        random_state: Optional[int] = None,
-    ):
-        """Prepare the dataset for use in QSPR model.
-
-        Arguments:
-            smiles_standardizer (str | Callable): either `chembl`, `old`, or a
-                partial function that reads and standardizes smiles. If `None`, no
-                standardization will be performed. Defaults to `chembl`.
-            datafilters (list of datafilter obj): filters number of rows from dataset
-            split (datasplitter obj): splits the dataset into train and test set
-            fold (datasplitter obj): splits the train set into folds for
-                cross validation
-            feature_calculators (list[DescriptorsCalculator]): calculate features using
-                different information from the data set
-            feature_filters (list of feature filter objs): filters features
-            feature_standardizer (SKLearnStandardizer or sklearn.base.BaseEstimator):
-                standardizes and/or scales features
-            recalculate_features (bool): recalculate features even if they are already
-                present in the file
-            feature_fill_value (float): value to fill missing values with.
-                Defaults to `numpy.nan`
-            shuffle (bool): whether to shuffle the training and test sets
-            random_state (int): random state for shuffling
-        """
-        # apply sanitization and standardization
-        if smiles_standardizer is not None:
-            self.standardizeSmiles(smiles_standardizer)
-
-        # calculate features
-        if feature_calculators is not None:
-            self.addFeatures(feature_calculators, recalculate=recalculate_features)
-
-        # apply data filters
-        if datafilters is not None:
-            self.filter(datafilters)
-
-        # Replace any NaN values in featureNames by 0
-        # FIXME: this is not very good, we should probably add option to do custom
-        # data imputation here or drop rows with NaNs
-        if feature_fill_value is not None:
-            self.fillMissing(feature_fill_value)
-
-        # split dataset
-        if split is not None:
-            self.split(split)
-        else:
-            self.X = self.df
-            self.y = self.df[self.targetPropertyNames]
-
-        # featurize splits
-        if self.hasDescriptors:
-            self.featurizeSplits(shuffle=shuffle, random_state=random_state)
-        else:
-            logger.warning(
-                "Attempting to featurize splits without descriptors. "
-                "Skipping this step..."
-            )
-
-        # apply feature filters on training set
-        if feature_filters and self.hasDescriptors:
-            self.filterFeatures(feature_filters)
-        elif not self.hasDescriptors:
-            logger.warning("No descriptors present, feature filters will be skipped.")
-
-        # set feature standardizers
-        if feature_standardizer:
-            self.setFeatureStandardizer(feature_standardizer)
-            if self.fold_generator:
-                self.fold_generator = Folds(
-                    self.fold_generator.split, self.feature_standardizer
-                )
-            if not self.hasDescriptors:
-                logger.warning(
-                    "No descriptors present, feature standardizers were initialized, "
-                    "but might fail or have no effect."
-                )
-
-        # create fold generator
-        if fold:
-            self.fold_generator = Folds(fold, self.feature_standardizer)
-
-    def getDefaultFoldSplit(self):
-        """Return the default fold split for the model task.
-
-        Returns:
-            DataSplit (DataSplit): default fold split implementation
-        """
-        if (
-            len(self.targetProperties) > 1 or
-            self.targetProperties[0].task == TargetTasks.REGRESSION
-        ):
-            return KFold(5)
-        else:
-            return StratifiedKFold(5)
-
-    def getDefaultFoldGenerator(self):
-        """Return the default fold generator. The fold generator is used to create folds
-        for cross validation.
-
-        Returns:
-            Folds (Folds): default fold generator implementation
-        """
-        return Folds(self.getDefaultFoldSplit(), self.feature_standardizer)
-
-    def checkFeatures(self):
-        """Check consistency of features and descriptors."""
-        if not self.hasDescriptors:
-            raise ValueError(
-                "No descriptors exist in the data set. Cannot create folds."
-            )
-        elif not self.hasFeatures:
-            raise ValueError("No features exist in the data set. Cannot create folds.")
-        elif self.X.shape[0] != self.y.shape[0]:
-            raise ValueError(
-                "X and y have different number of rows: "
-                f"{self.X.shape[0]} != {self.y.shape[0]}"
-            )
-        elif self.X.shape[0] == 0:
-            raise ValueError("X has no rows.")
-
-    def createFolds(self, split: DataSplit | None = None):
-        """Create folds for cross validation from the  current feature matrix.
-
-        If you specify a split to use, it will be used to generate the folds.
-        The split should implement the `DataSplit` interface. It can
-        also optionally implement `DataSetDependant` if the split requires the full
-        data set besides the feature matrix alone.
-
-        Args:
-            split (DataSplit, optional): split to use for creating folds.
-                Defaults to None.
-        """
-        # do some checks and give split tha data set if required
-        self.checkFeatures()
-        if hasattr(split, "setDataSet"):
-            split.setDataSet(self)
-        # choose the fold generator
-        if split is None and not self.fold_generator:
-            self.fold_generator = self.getDefaultFoldGenerator()
-        elif split is not None:
-            self.fold_generator = Folds(split, self.feature_standardizer)
-        # generate the folds
-        return self.fold_generator.iterFolds(self.X, self.y)
-
-    def fitFeatureStandardizer(self):
-        """Fit the feature standardizers on the training set.
-
-        Returns:
-            X (pd.DataFrame): standardized training set
-        """
-        if self.hasDescriptors:
-            X = self.getDescriptors()
-            if self.featureNames is not None:
-                X = X[self.featureNames]
-            return apply_feature_standardizer(self.feature_standardizer, X, fit=True)[0]
-
-    def getFeatures(
-        self, inplace: bool = False, concat: bool = False, raw: bool = False
-    ):
-        """Get the current feature sets (training and test) from the dataset.
-
-        This method also applies any feature standardizers that have been set on the
-        dataset during preparation.
-
-        Args:
-            inplace (bool): If `True`, the created feature matrices will be saved to the
-                dataset object itself as 'X' and 'X_ind' attributes. Note that this will
-                overwrite any existing feature matrices and if the data preparation
-                workflow changes, these are not kept up to date. Therefore, it is
-                recommended to generate new feature sets after any data set changes.
-            concat (bool): If `True`, the training and test feature matrices will be
-                concatenated into a single matrix. This is useful for training models
-                that do not require separate training and test sets (i.e. the final
-                optimized models).
-            raw (bool): If `True`, the raw feature matrices will be returned without
-                any standardization applied.
-        """
-        self.checkFeatures()
-
-        if concat:
-            df_X = pd.concat(
-                [self.X[self.featureNames], self.X_ind[self.featureNames]], axis=0
-            )
-            df_X_ind = None
-        else:
-            df_X = self.X[self.featureNames]
-            df_X_ind = self.X_ind[self.featureNames]
-
-        X = df_X.values
-        X_ind = df_X_ind.values if df_X_ind is not None else None
-        if not raw and self.feature_standardizer:
-            X, self.feature_standardizer = apply_feature_standardizer(
-                self.feature_standardizer, df_X, fit=True
-            )
-            if X_ind is not None and X_ind.shape[0] > 0:
-                X_ind, _ = apply_feature_standardizer(
-                    self.feature_standardizer, df_X_ind, fit=False
-                )
-
-        X = pd.DataFrame(X, index=df_X.index, columns=df_X.columns)
-        if X_ind is not None:
-            X_ind = pd.DataFrame(X_ind, index=df_X_ind.index, columns=df_X_ind.columns)
-
-        if inplace:
-            self.X = X
-            self.X_ind = X_ind
-
-        return (X, X_ind) if not concat else X
-
-    def getTargetPropertiesValues(self, concat: bool = False):
-        """Get the response values (training and test) for the set target property.
-
-        Args:
-            concat (bool): if `True`, return concatenated training and validation set
-                target properties
-
-        Returns:
-            `tuple` of (train_responses, test_responses) or `pandas.DataFrame` of all
-            target property values
-        """
-        if concat:
-            return pd.concat(
-                [self.y, self.y_ind] if self.y_ind is not None else [self.y]
-            )
-        else:
-            return self.y, self.y_ind if self.y_ind is not None else self.y
-
-    def getTargetProperties(self, names: list, original_names: bool = False):
-        """Get the target properties with the given names.
-
-        Args:
-            names (list[str]): name of the target properties
-            original_names (bool): if `True`, use the original names of the target
-                properties
-
-        Returns:
-            `TargetProperty`: target property with the given name
-        """
-        return TargetProperty.selectFromList(
-            self.targetProperties, names, original_names=original_names
-        )
-
-    @property
-    def targetPropertyNames(self):
-        """Get the names of the target properties."""
-        return TargetProperty.getNames(self.targetProperties)
-
-    @property
-    def targetPropertyOriginalNames(self):
-        """Get the original names of the target properties."""
-        return TargetProperty.getOriginalNames(self.targetProperties)
-
-    def loadFeatureStandardizer(self):
-        """Load feature standardizer from the metadata.
-
-        Returns:
-            `SKLearnStandardizer`
-        """
-        if (
-            self.metaInfo is not None and "standardizer_path" in self.metaInfo and
-            self.metaInfo["standardizer_path"]
-        ):
-            return SKLearnStandardizer.fromFile(
-                f"{self.storePrefix}{self.metaInfo['standardizer_path']}"
-            )
-        else:
-            return None
-
-    def saveFeatureStandardizer(self):
-        """Save feature standardizers to the metadata.
-
-        Returns:
-            `str`: paths to the saved standardizers
-        """
-        path = f"{self.storePrefix}_feature_standardizer.json"
-        if (
-            self.feature_standardizer and self.featureNames is not None and
-            len(self.featureNames) > 0
-        ):
-            # make sure feature standardizers are fitted before serialization
-            self.fitFeatureStandardizer()
-            self.feature_standardizer.toFile(path)
-            return path
-        elif self.feature_standardizer:
-            self.feature_standardizer.toFile(path)
-            return path
-
-    def generateMetadata(self):
-        """Generate metadata of the dataset.
-
-        Returns:
-            `dict`: metadata of the dataset
-        """
-        stanadardizer_path = self.saveFeatureStandardizer()
-        meta_init = {
-            "target_props":
-                TargetProperty.toList(
-                    copy.deepcopy(self.targetProperties), task_as_str=True
-                ),
-            "smiles_col":
-                self.smilesCol,
-        }
-        ret = {
-            "init":
-                meta_init,
-            "standardizer_path":
-                stanadardizer_path.replace(self.storePrefix, "")
-                if stanadardizer_path else None,
-            "descriptorcalculator_path":
-                self.descriptorCalculatorsPathPrefix.replace(self.storePrefix, "")
-                if self.descriptorCalculatorsPathPrefix else None,
-            "feature_names":
-                list(self.featureNames) if self.featureNames is not None else None,
-        }
-        return ret
-
-    def saveMetadata(self):
-        """Save metadata to file.
-
-        Returns:
-            `str`: path to the saved metadata file
-        """
-        ret = self.generateMetadata()
-        path = f"{self.storePrefix}_meta.json"
-        with open(path, "w") as f:
-            json.dump(ret, f)
-        return path
-
-    @property
-    def isMultiTask(self):
-        """Check if the dataset contains multiple target properties.
-
-        Returns:
-            `bool`: `True` if the dataset contains multiple target properties
-        """
-        return len(self.targetProperties) > 1
-
-    @property
-    def nTasks(self):
-        """Get the number of target properties in the dataset."""
-        return len(self.targetProperties)
-
-    def dropTask(self, task):
-        """Drop the given task from the dataset.
-
-        Args:
-            task (str): name of the task to drop
-        """
-        assert task in self.targetPropertyNames, f"Task {task} not found in dataset."
-        assert (
-            len(self.targetProperties) > 1
-        ), "Cannot drop task from single-task dataset."
-        self.targetProperties = [tp for tp in self.targetProperties if tp.name != task]
-        self.restoreTrainingData()
-
-    def addTask(self, task: TargetProperty | dict):
-        """Add a task to the dataset.
-
-        Args:
-            task (TargetProperty): name of the task to add
-        """
-        if isinstance(task, dict):
-            task = TargetProperty.fromDict(task)
-
-        assert (
-            task.name not in self.targetPropertyNames
-        ), f"Task {task} already exists in dataset."
-        assert task.name in self.df.columns, f"Task {task} not found in dataset."
-
-        self.targetProperties.append(task)
-        self.restoreTrainingData()
diff --git a/qsprpred/data/descriptors/__init__.py b/qsprpred/data/descriptors/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/data/descriptors/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/data/utils/descriptor_utils/fingerprints.py b/qsprpred/data/descriptors/fingerprints.py
similarity index 57%
rename from qsprpred/data/utils/descriptor_utils/fingerprints.py
rename to qsprpred/data/descriptors/fingerprints.py
index 562830d4..79724843 100644
--- a/qsprpred/data/utils/descriptor_utils/fingerprints.py
+++ b/qsprpred/data/descriptors/fingerprints.py
@@ -1,28 +1,96 @@
 """Fingerprint classes."""
+from abc import ABC
+from typing import Any
 
 import numpy as np
-from rdkit import DataStructs
+import pandas as pd
+from rdkit import DataStructs, Chem
 from rdkit.Avalon import pyAvalonTools
-from rdkit.Chem import AllChem, MACCSkeys, rdMolDescriptors, rdmolops
+from rdkit.Chem import AllChem, MACCSkeys, rdMolDescriptors, rdmolops, Mol
 
-from .interfaces import Fingerprint
+from qsprpred.data.descriptors.sets import DescriptorSet
+
+
+class Fingerprint(DescriptorSet, ABC):
+    """Base class for calculation of binary fingerprints.
+
+    Attributes:
+        usedBits (list): list of bits of the fingerprint currently being used
+    """
+
+    def __init__(self, used_bits: list[int] | None = None):
+        super().__init__()
+        self.usedBits = used_bits or list(range(len(self)))
+
+    @property
+    def usedBits(self) -> list[int] | None:
+        return self._usedBits
+
+    @usedBits.setter
+    def usedBits(self, value: list[int]):
+        self._usedBits = sorted(value)
+
+    @property
+    def descriptors(self) -> list[str]:
+        return [f"{self}_{i}" for i in self.usedBits]
+
+    @descriptors.setter
+    def descriptors(self, value: list[str]):
+        self.usedBits = [int(x.split("_")[-1]) for x in sorted(value)]
+
+    @property
+    def isFP(self):
+        return True
+
+    @property
+    def dtype(self):
+        return bool
+
+    def __call__(
+        self, mols: list[str | Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> pd.DataFrame:
+        """Calculate binary fingerprints for the input molecules. Only the bits
+        specified by `usedBits` will be returned if more bits are calculated.
+
+        Args:
+            mols(list): list of SMILES or RDKit molecules
+            props(dict): dictionary of properties
+            *args: positional arguments
+            **kwargs: keyword arguments
+
+        Returns:
+            data frame of descriptor values of shape (n_mols, n_descriptors)
+        """
+        mols = list(self.iterMols(mols, to_list=True))
+        mols = [Chem.AddHs(mol) for mol in self.iterMols(mols)]
+        values = self.getDescriptors(mols, props, *args, **kwargs)
+        values = values[:, self.usedBits]
+        values = values.astype(self.dtype)
+        df = pd.DataFrame(values, index=props[self.idProp])
+        df.columns = self.descriptors
+        return df
 
 
 class MorganFP(Fingerprint):
     """Morgan fingerprint."""
+
     def __init__(self, radius=2, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.radius = radius
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the Morgan fingerprints for the input molecules.
 
         Args:
             mols: molecules to obtain the fingerprint of
+            props: dictionary of properties
 
         Returns:
-            fingerprint (list): `list` of fingerprints for "mols"
+            array: `np.ndarray` of fingerprints for "mols", shape (n_mols, n_bits)
         """
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
@@ -35,20 +103,19 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"radius": self.radius, "nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "MorganFP"
 
 
 class RDKitMACCSFP(Fingerprint):
     """RDKits implementation of MACCS keys fingerprint."""
-    def getFingerprints(self, mols):
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the MACCS fingerprints for the input molecules.
 
         Args:
@@ -68,23 +135,22 @@ def getFingerprints(self, mols):
 
         return ret
 
-    @property
-    def settings(self):
-        return {}
-
     def __len__(self):
         return 167
 
-    def getKey(self):
+    def __str__(self):
         return "RDKitMACCSFP"
 
 
 class MaccsFP(Fingerprint):
     def __init__(self, nBits=167, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -94,23 +160,22 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "MACCSFP"
 
 
 class AvalonFP(Fingerprint):
     def __init__(self, nBits=1024, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -120,23 +185,22 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "AvalonFP"
 
 
 class TopologicalFP(Fingerprint):
     def __init__(self, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -148,23 +212,22 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "TopologicalFP"
 
 
 class AtomPairFP(Fingerprint):
     def __init__(self, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -176,25 +239,24 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "AtomPairFP"
 
 
 class RDKitFP(Fingerprint):
     def __init__(self, minPath=1, maxPath=7, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.minPath = minPath
         self.maxPath = maxPath
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -210,23 +272,22 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"minPath": self.minPath, "maxPath": self.maxPath, "nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "RDKitFP"
 
 
 class PatternFP(Fingerprint):
     def __init__(self, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
 
         ret = np.zeros((len(mols), len(self)))
@@ -238,25 +299,24 @@ def getFingerprints(self, mols):
 
         return ret
 
-    @property
-    def settings(self):
-        return {"nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "PatternFP"
 
 
 class LayeredFP(Fingerprint):
     def __init__(self, minPath=1, maxPath=7, nBits=2048, **kwargs):
+        super().__init__(used_bits=list(range(nBits)))
         self.minPath = minPath
         self.maxPath = maxPath
         self.nBits = nBits
         self.kwargs = kwargs
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         convertFP = DataStructs.ConvertToNumpyArray
         ret = np.zeros((len(mols), len(self)))
         for idx, mol in enumerate(mols):
@@ -272,110 +332,8 @@ def getFingerprints(self, mols):
             ret[idx] = np_fp
         return ret
 
-    @property
-    def settings(self):
-        return {"minPath": self.minPath, "maxPath": self.maxPath, "nBits": self.nBits}
-
     def __len__(self):
         return self.nBits
 
-    def getKey(self):
+    def __str__(self):
         return "LayeredFP"
-
-
-class _FingerprintRetriever:
-    """Based on recipe 8.21 of the book "Python Cookbook".
-
-    To support a new type of fingerprint, just add a function
-    `getFingerprintName(self, *args, **kwargs)`.
-    """
-    def getFingerprint(self, fp_type, *args, **kwargs):
-        if fp_type.lower() == "fingerprint":
-            raise Exception("Please specify the type of fingerprint you want to use.")
-        method_name = "get" + fp_type
-        method = getattr(self, method_name)
-        if method is None:
-            raise Exception(f"{fp_type} is not a supported descriptor set type.")
-        return method(*args, **kwargs)
-
-    def getMorganFP(self, *args, **kwargs):
-        return MorganFP(*args, **kwargs)
-
-    def getMaccsFP(self, *args, **kwargs):
-        return MaccsFP(*args, **kwargs)
-
-    def getAvalonFP(self, *args, **kwargs):
-        return AvalonFP(*args, **kwargs)
-
-    def getTopologicalFP(self, *args, **kwargs):
-        return TopologicalFP(*args, **kwargs)
-
-    def getAtomPairFP(self, *args, **kwargs):
-        return AtomPairFP(*args, **kwargs)
-
-    def getRDKitFP(self, *args, **kwargs):
-        return RDKitFP(*args, **kwargs)
-
-    def getPatternFP(self, *args, **kwargs):
-        return PatternFP(*args, **kwargs)
-
-    def getLayeredFP(self, *args, **kwargs):
-        return LayeredFP(*args, **kwargs)
-
-    def getRDKitMACCSFP(self, *args, **kwargs):
-        return RDKitMACCSFP(*args, **kwargs)
-
-    def getCDKFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKFP
-
-        return CDKFP(*args, **kwargs)
-
-    def getCDKExtendedFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKExtendedFP
-
-        return CDKExtendedFP(*args, **kwargs)
-
-    def getCDKEStateFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKEStateFP
-
-        return CDKEStateFP()
-
-    def getCDKGraphOnlyFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKGraphOnlyFP
-
-        return CDKGraphOnlyFP(*args, **kwargs)
-
-    def getCDKMACCSFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKMACCSFP
-
-        return CDKMACCSFP()
-
-    def getCDKPubchemFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKPubchemFP
-
-        return CDKPubchemFP()
-
-    def getCDKSubstructureFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKSubstructureFP
-
-        return CDKSubstructureFP(*args, **kwargs)
-
-    def getCDKKlekotaRothFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKKlekotaRothFP
-
-        return CDKKlekotaRothFP(*args, **kwargs)
-
-    def getCDKAtomPairs2DFP(self, *args, **kwargs):
-        from ....extra.data.utils.descriptor_utils.fingerprints import CDKAtomPairs2DFP
-
-        return CDKAtomPairs2DFP(*args, **kwargs)
-
-
-AVAIL_FPS = [
-    m.lstrip("get")
-    for m in dir(_FingerprintRetriever) if m.startswith("get") and m != "getFingerprint"
-]
-
-
-def get_fingerprint(fp_type: str, *args, **kwargs):
-    return _FingerprintRetriever().getFingerprint(fp_type, *args, **kwargs)
diff --git a/qsprpred/data/descriptors/sets.py b/qsprpred/data/descriptors/sets.py
new file mode 100644
index 00000000..63eafbad
--- /dev/null
+++ b/qsprpred/data/descriptors/sets.py
@@ -0,0 +1,535 @@
+"""Descriptorset: a collection of descriptors that can be calculated for a molecule.
+To add a new descriptor or fingerprint calculator:
+* Add a descriptor subclass for your descriptor calculator
+* Add a function to retrieve your descriptor by name to the descriptor retriever class
+"""
+from abc import ABC, abstractmethod
+from typing import Type, Any, Generator
+
+import numpy as np
+import pandas as pd
+from rdkit import Chem, DataStructs
+from rdkit.Chem import AllChem, Crippen
+from rdkit.Chem import Descriptors as desc
+from rdkit.Chem import Lipinski
+from rdkit.Chem import Mol, Descriptors
+from rdkit.ML.Descriptors import MoleculeDescriptors
+
+from ..processing.mol_processor import MolProcessorWithID
+from ...logs import logger
+from ...utils.serialization import JSONSerializable
+
+
+class DescriptorSet(JSONSerializable, MolProcessorWithID, ABC):
+    """`MolProcessorWithID` that calculates descriptors for a molecule."""
+
+    @staticmethod
+    def treatInfs(df: pd.DataFrame) -> pd.DataFrame:
+        """Replace infinite values by NaNs.
+
+        Args:
+            df: dataframe to treat
+
+        Returns:
+            dataframe with infinite values replaced by NaNs
+        """
+        if np.isinf(df).any().any():
+            col_names = df.columns
+            x_loc, y_loc = np.where(np.isinf(df.values))
+            inf_cols = np.take(col_names, np.unique(y_loc))
+            logger.debug(
+                "Infinite values in dataframe at columns:"
+                f"\n{inf_cols}"
+                "And rows:"
+                f"\n{np.unique(x_loc)}"
+            )
+            # Convert absurdly high values to NaNs
+            df = df.replace([np.inf, -np.inf], np.NAN)
+        return df
+
+    @staticmethod
+    def iterMols(
+        mols: list[str | Mol], to_list=False
+    ) -> list[Mol] | Generator[Mol, None, None]:
+        """
+        Create a molecule generator or list from RDKit molecules or SMILES.
+
+        Args:
+            mols: list of molecules (SMILES `str` or RDKit Mol)
+            to_list: if True, return a list instead of a generator
+
+        Returns:
+            a list  or  generator of RDKit molecules
+        """
+        ret = (Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol for mol in mols)
+        if to_list:
+            ret = list(ret)
+        return ret
+
+    def __len__(self):
+        """Return the number of descriptors currently calculated by this instance."""
+        return len(self.descriptors)
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["descriptors"] = self.descriptors
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.descriptors = state["descriptors"]
+
+    @property
+    @abstractmethod
+    def descriptors(self) -> list[str]:
+        """Return a list of current descriptor names."""
+
+    @descriptors.setter
+    @abstractmethod
+    def descriptors(self, names: list[str]):
+        """Set calculated descriptors for this instance."""
+
+    @property
+    def isFP(self):
+        """Return True if descriptor set is a binary fingerprint."""
+        return False
+
+    @abstractmethod
+    def __str__(self):
+        """Return string representation of the descriptor set.
+        This is used to uniquely identify the descriptor set.
+        It is used to name the created `DescriptorTable` instances.
+        """
+
+    @property
+    def supportsParallel(self) -> bool:
+        """Return `True` if the descriptor set supports parallel calculation."""
+        return True
+
+    @property
+    def dtype(self):
+        """Convert the descriptor values to this type."""
+        return np.float32
+
+    def __call__(
+        self, mols: list[str | Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> pd.DataFrame:
+        """Calculate the descriptors for a list of molecules and convert them
+        to a data frame with the molecule IDs as index. The values are converted
+        to the dtype specified by `self.dtype`. Infinite values are replaced by NaNs
+        using the `treatInfs` method.
+
+        Args:
+            mols(list): list of SMILES or RDKit molecules
+            props(dict): dictionary of properties for the passed molecules
+            *args: positional arguments
+            **kwargs: keyword arguments
+
+        Returns:
+            data frame of descriptor values of shape (n_mols, n_descriptors)
+        """
+        mols = self.iterMols(mols, to_list=True)
+        values = self.getDescriptors(mols, props, *args, **kwargs)
+        df = pd.DataFrame(values, index=props[self.idProp])
+        df.columns = self.descriptors
+        try:
+            df = df.astype(self.dtype)
+        except ValueError as exp:
+            logger.warning(
+                f"Could not convert descriptor values to '{self.dtype}': {exp}\n"
+                f"Keeping original types: {df.dtypes}"
+            )
+        try:
+            df = self.treatInfs(df)
+        except TypeError as exp:
+            logger.warning(
+                f"Could not treat infinite values because of type mismatch: {exp}"
+            )
+        return df
+
+    @abstractmethod
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        """Main method to calculate descriptors for a list of molecules.
+
+        Args:
+            mols(list): list of SMILES or RDKit molecules
+            props(dict): dictionary of properties
+            *args: positional arguments
+            **kwargs: keyword arguments
+
+        Returns:
+            numpy array of descriptor values of shape (n_mols, n_descriptors)
+        """
+
+
+class DataFrameDescriptorSet(DescriptorSet):
+    """`DescriptorSet` that uses a `pandas.DataFrame` of precalculated descriptors."""
+
+    def __init__(self, df: pd.DataFrame):
+        """Initialize the descriptor set with a dataframe of descriptors.
+
+        Args:
+            df: dataframe of descriptors
+        """
+        super().__init__()
+        self._df = df
+        self._descriptors = df.columns.tolist() if df is not None else []
+
+    def getDF(self):
+        """Return the dataframe of descriptors."""
+        return self._df
+
+    def getIndex(self):
+        """Return the index of the dataframe."""
+        return self._df.index if self._df is not None else None
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        """Return the descriptors for the input molecules. It simply searches
+        for descriptor values in the data frame using the `idProp` as index.
+
+        Args:
+            mols: list of SMILES or RDKit molecules
+            props: dictionary of properties
+            *args: positional arguments
+            **kwargs: keyword arguments
+
+        Returns:
+            numpy array of descriptor values of shape (n_mols, n_descriptors)
+        """
+        index = pd.Index(props[self.idProp], name=self.idProp)
+        if self._df is None:
+            raise ValueError("No dataframe set.")
+        ret = pd.DataFrame(index=index)
+        ret = ret.merge(self._df, how="left", left_index=True, right_index=True)
+        return ret[self.descriptors].values
+
+    @property
+    def descriptors(self):
+        return self._descriptors
+
+    @descriptors.setter
+    def descriptors(self, value):
+        self._descriptors = value
+
+    def __str__(self):
+        return "DataFrame"
+
+
+class DrugExPhyschem(DescriptorSet):
+    """Various properties used for scoring in DrugEx."""
+
+    _notJSON = [*DescriptorSet._notJSON, "_prop_dict"]
+
+    def __init__(self, physchem_props: list[str] | None = None):
+        """Initialize the descriptorset with Property arguments (a list of properties to
+        calculate) to select a subset.
+
+        Args:
+            physchem_props: list of properties to calculate
+        """
+        super().__init__()
+        self._prop_dict = self.getPropDict()
+        if physchem_props:
+            self.props = physchem_props
+        else:
+            self.props = sorted(self._prop_dict.keys())
+
+    def getDescriptors(self, mols, props, *args, **kwargs):
+        """Calculate the DrugEx properties for a molecule."""
+        mols = self.iterMols(mols, to_list=True)
+        scores = np.zeros((len(mols), len(self.props)))
+        for i, mol in enumerate(mols):
+            for j, prop in enumerate(self.props):
+                try:
+                    scores[i, j] = self._prop_dict[prop](mol)
+                except Exception as exp:
+                    logger.warning(f"Could not calculate {prop} for {mol}.")
+                    logger.exception(exp)
+                    continue
+        return scores
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self._prop_dict = self.getPropDict()
+
+    @property
+    def descriptors(self):
+        return self.props
+
+    @descriptors.setter
+    def descriptors(self, props):
+        """Set new props as a list of names."""
+        self.props = props
+
+    def __str__(self):
+        return "DrugExPhyschem"
+
+    @staticmethod
+    def getPropDict():
+        return {
+            "MW": desc.MolWt,
+            "logP": Crippen.MolLogP,
+            "HBA": AllChem.CalcNumLipinskiHBA,
+            "HBD": AllChem.CalcNumLipinskiHBD,
+            "Rotable": AllChem.CalcNumRotatableBonds,
+            "Amide": AllChem.CalcNumAmideBonds,
+            "Bridge": AllChem.CalcNumBridgeheadAtoms,
+            "Hetero": AllChem.CalcNumHeteroatoms,
+            "Heavy": Lipinski.HeavyAtomCount,
+            "Spiro": AllChem.CalcNumSpiroAtoms,
+            "FCSP3": AllChem.CalcFractionCSP3,
+            "Ring": Lipinski.RingCount,
+            "Aliphatic": AllChem.CalcNumAliphaticRings,
+            "Aromatic": AllChem.CalcNumAromaticRings,
+            "Saturated": AllChem.CalcNumSaturatedRings,
+            "HeteroR": AllChem.CalcNumHeterocycles,
+            "TPSA": AllChem.CalcTPSA,
+            "Valence": desc.NumValenceElectrons,
+            "MR": Crippen.MolMR,
+        }
+
+
+class RDKitDescs(DescriptorSet):
+    """
+    Calculate RDkit descriptors.
+
+    Args:
+        rdkit_descriptors: list of descriptors to calculate, if none, all 2D rdkit
+            descriptors will be calculated
+        include_3d: if True, 3D descriptors will be calculated
+    """
+
+    def __init__(
+        self, rdkit_descriptors: list[str] | None = None, include_3d: bool = False
+    ):
+        super().__init__()
+        self.descriptors = (
+            rdkit_descriptors
+            if rdkit_descriptors is not None
+            else sorted({x[0] for x in Descriptors._descList})
+        )
+        if include_3d:
+            self.descriptors = sorted(
+                [
+                    *self.descriptors,
+                    "Asphericity",
+                    "Eccentricity",
+                    "InertialShapeFactor",
+                    "NPR1",
+                    "NPR2",
+                    "PMI1",
+                    "PMI2",
+                    "PMI3",
+                    "RadiusOfGyration",
+                    "SpherocityIndex",
+                ]
+            )
+        self.include3D = include_3d
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        mols = self.iterMols(mols, to_list=True)
+        scores = np.zeros((len(mols), len(self.descriptors)))
+        calc = MoleculeDescriptors.MolecularDescriptorCalculator(self.descriptors)
+        for i, mol in enumerate(mols):
+            try:
+                scores[i] = calc.CalcDescriptors(mol)
+            except AttributeError:
+                scores[i] = [np.nan] * len(self.descriptors)
+        return scores
+
+    @property
+    def descriptors(self):
+        return self._descriptors
+
+    @descriptors.setter
+    def descriptors(self, descriptors):
+        self._descriptors = descriptors
+
+    def __str__(self):
+        return "RDkit"
+
+
+class TanimotoDistances(DescriptorSet):
+    """
+    Calculate Tanimoto distances to a list of SMILES sequences.
+
+    Args:
+        list_of_smiles (list of strings): list of SMILES to calculate the distances.
+        fingerprint_type (str): fingerprint type to use.
+        *args: `fingerprint` arguments
+        **kwargs: `fingerprint` keyword arguments, should contain fingerprint_type
+    """
+
+    def __init__(self, list_of_smiles, fingerprint_type, *args, **kwargs):
+        """Initialize the descriptorset with a list of SMILES sequences and a
+        fingerprint type.
+
+        Args:
+            list_of_smiles (list of strings): list of SMILES sequences to calculate
+                distance to
+            fingerprint_type (Fingerprint): fingerprint type to use
+        """
+        super().__init__()
+        self._descriptors = list_of_smiles
+        self.fingerprintType = fingerprint_type
+        self._args = args
+        self._kwargs = kwargs
+
+        # intialize fingerprint calculator
+        self.fp = fingerprint_type
+        self.fps = self.calculate_fingerprints(list_of_smiles)
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        """Calculate the Tanimoto distances to the list of SMILES sequences.
+
+        Args:
+            mols (List[str] or List[rdkit.Chem.rdchem.Mol]): SMILES sequences or RDKit
+                molecules to calculate the distances.
+        """
+        mols = [
+            Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol for mol in mols
+        ]
+        # Convert np.arrays to BitVects
+        fps = [
+            DataStructs.CreateFromBitString("".join(map(str, x)))
+            for x in self.fp.getDescriptors(mols, props, *args, **kwargs)
+        ]
+        return np.array(
+            [
+                list(1 - np.array(DataStructs.BulkTanimotoSimilarity(fp, self.fps)))
+                for fp in fps
+            ]
+        )
+
+    def calculate_fingerprints(self, list_of_smiles):
+        """Calculate the fingerprints for the list of SMILES sequences."""
+        # Convert np.arrays to BitVects
+        return [
+            DataStructs.CreateFromBitString("".join(map(str, x)))
+            for x in self.fp.getDescriptors(
+                [Chem.MolFromSmiles(smiles) for smiles in list_of_smiles],
+                props={"QSPRID": list_of_smiles},
+            )
+        ]
+
+    @property
+    def descriptors(self):
+        return self._descriptors
+
+    @descriptors.setter
+    def descriptors(self, list_of_smiles):
+        """Set new list of SMILES sequences to calculate distance to."""
+        self._descriptors = list_of_smiles
+        self.list_of_smiles = list_of_smiles
+        self.fps = self.calculate_fingerprints(self.list_of_smiles)
+
+    def __str__(self):
+        return "TanimotoDistances"
+
+
+class PredictorDesc(DescriptorSet):
+    """MoleculeDescriptorSet that uses a Predictor object to calculate descriptors from
+    a molecule."""
+
+    _notJSON = [*DescriptorSet._notJSON, "model"]
+
+    def __init__(self, model: Type["QSPRModel"] | str):
+        """
+        Initialize the descriptorset with a `QSPRModel` object.
+
+        Args:
+            model (QSPRModel): a fitted model instance or a path to the model's meta file
+        """
+        super().__init__()
+        if isinstance(model, str):
+            from ...models.models import QSPRModel
+
+            self.model = QSPRModel.fromFile(model)
+        else:
+            self.model = model
+
+        self._descriptors = [self.model.name]
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["model"] = self.model.metaFile
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        from ...models.models import QSPRModel
+
+        self.model = QSPRModel.fromFile(self.model)
+
+    def getDescriptors(self, mols, props, *args, **kwargs):
+        """
+        Calculate the descriptor for a list of molecules.
+
+        Args:
+            mols (list): list of smiles or rdkit molecules
+
+        Returns:
+            an array of descriptor values
+        """
+        mols = self.iterMols(mols, to_list=True)
+        return self.model.predictMols(mols, use_probas=False)
+
+    @property
+    def descriptors(self):
+        return self._descriptors
+
+    @descriptors.setter
+    def descriptors(self, descriptors):
+        self._descriptors = descriptors
+
+    def __str__(self):
+        return "PredictorDesc"
+
+
+class SmilesDesc(DescriptorSet):
+    """Descriptorset that calculates descriptors from a SMILES sequence."""
+
+    @staticmethod
+    def treatInfs(df: pd.DataFrame) -> pd.DataFrame:
+        return df
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        """Return smiles as descriptors.
+
+        Args:
+            mols (list): list of smiles or rdkit molecules
+
+        Returns:
+            an array or data frame of descriptor values of shape (n_mols, n_descriptors)
+        """
+        if all(isinstance(mol, str) for mol in mols):
+            return np.array(mols)
+        elif all(isinstance(mol, Mol) for mol in mols):
+            return np.array([Chem.MolToSmiles(mol) for mol in mols])
+        else:
+            raise ValueError("Molecules should be either SMILES or RDKit Mol objects.")
+
+    @property
+    def dtype(self):
+        return str
+
+    @property
+    def descriptors(self):
+        return ["SMILES"]
+
+    @descriptors.setter
+    def descriptors(self, descriptors):
+        pass
+
+    def __str__(self):
+        return "SmilesDesc"
diff --git a/qsprpred/data/descriptors/tests.py b/qsprpred/data/descriptors/tests.py
new file mode 100644
index 00000000..88fb4f87
--- /dev/null
+++ b/qsprpred/data/descriptors/tests.py
@@ -0,0 +1,192 @@
+import numpy as np
+from parameterized import parameterized
+from rdkit.Chem import Descriptors
+
+from .fingerprints import MorganFP
+from .sets import (
+    DrugExPhyschem,
+    PredictorDesc,
+    TanimotoDistances,
+    RDKitDescs,
+    SmilesDesc,
+)
+from ... import TargetTasks
+from ...data import RandomSplit
+from ...data.processing.feature_filters import LowVarianceFilter, HighCorrelationFilter
+from ...models import SklearnModel
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.check_mixins import DescriptorInDataCheckMixIn
+from ...utils.testing.path_mixins import DataSetsPathMixIn
+
+
+class TestDescriptorCalculation(DataSetsPathMixIn, QSPRTestCase):
+    """Test the calculation of descriptors."""
+
+    def setUp(self):
+        """Set up the test Dataframe."""
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand([(None, None), (1, None), (2, None), (4, 50)])
+    def testSwitching(self, n_cpu, chunk_size):
+        """Test if the feature calculator can be switched to a new dataset."""
+        dataset = self.createLargeTestDataSet(
+            "TestSwitching", n_jobs=n_cpu, chunk_size=chunk_size
+        )
+        feature_calculators = [
+            MorganFP(radius=3, nBits=256),
+            DrugExPhyschem(),
+        ]
+        split = RandomSplit(test_fraction=0.1)
+        lv = LowVarianceFilter(0.05)
+        hc = HighCorrelationFilter(0.9)
+        dataset.prepareDataset(
+            split=split,
+            feature_calculators=feature_calculators,
+            feature_filters=[lv, hc],
+            recalculate_features=True,
+            feature_fill_value=np.nan,
+        )
+        # create new dataset with the same calculator
+        dataset_next = self.createLargeTestDataSet(self.__class__.__name__)
+        dataset_next.prepareDataset(
+            split=split,
+            feature_calculators=feature_calculators,
+            feature_filters=[lv, hc],
+            recalculate_features=True,
+            feature_fill_value=np.nan,
+        )
+        self.assertEqual(dataset.X.shape, dataset_next.X.shape)
+
+
+class TestDescriptorSets(DataSetsPathMixIn, QSPRTestCase):
+    """Test the descriptor sets."""
+
+    def setUp(self):
+        """Create the test Dataframe."""
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createLargeTestDataSet(self.__class__.__name__)
+        self.dataset.nJobs = self.nCPU
+        self.dataset.chunkSize = None
+        self.dataset.shuffle()
+
+    def testPredictorDescriptor(self):
+        """Test the PredictorDesc descriptor set."""
+        # give path to saved model parameters
+        meta_path = (
+            f"{self.inputBasePath}/test_predictor/"
+            f"RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json"
+        )
+        model = SklearnModel.fromFile(meta_path)
+        desc_calc = PredictorDesc(model)
+        self.dataset.addDescriptors([desc_calc])
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
+        self.assertTrue(self.dataset.X.any().any())
+        # test from file instantiation
+        desc_calc.toFile(f"{self.generatedDataPath}/test_calc.json")
+        desc_calc_file = desc_calc.fromFile(f"{self.generatedDataPath}/test_calc.json")
+        self.dataset.addDescriptors([desc_calc_file], recalculate=True)
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
+        self.assertTrue(self.dataset.X.any().any())
+
+    def testFingerprintSet(self):
+        """Test the fingerprint set descriptor calculator."""
+        desc_calc = MorganFP(radius=3, nBits=128)
+        self.dataset.addDescriptors([desc_calc])
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 128))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+    def testTanimotoDistances(self):
+        """Test the Tanimoto distances descriptor calculator, which calculates the
+        Tanimoto distances between a list of SMILES."""
+        list_of_smiles = ["C", "CC", "CCC", "CCCC", "CCCCC", "CCCCCC", "CCCCCCC"]
+        desc_calc = [
+            TanimotoDistances(
+                list_of_smiles=list_of_smiles,
+                fingerprint_type=MorganFP(radius=3, nBits=128),
+            )
+        ]
+        self.dataset.addDescriptors(desc_calc)
+
+    def testDrugExPhyschem(self):
+        """Test the DrugExPhyschem descriptor calculator."""
+        desc_calc = [DrugExPhyschem()]
+        self.dataset.addDescriptors(desc_calc)
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 19))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+    def testRDKitDescs(self):
+        """Test the rdkit descriptors calculator."""
+        desc_calc = [RDKitDescs()]
+        self.dataset.addDescriptors(desc_calc)
+        rdkit_desc_count = len(set(Descriptors._descList))
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), rdkit_desc_count))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+        # with 3D
+        desc_calc = [RDKitDescs(include_3d=True)]
+        self.dataset.addDescriptors(desc_calc, recalculate=True)
+        self.assertEqual(
+            self.dataset.X.shape, (len(self.dataset), rdkit_desc_count + 10)
+        )
+
+    def testSmilesDesc(self):
+        """Test the smiles descriptors calculator."""
+        desc_calc = [SmilesDesc()]
+        self.dataset.addDescriptors(desc_calc)
+
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
+        self.assertTrue(self.dataset.X.any().any())
+
+    def testConsistency(self):
+        """Test if the descriptor calculator is consistent with the dataset."""
+        len_prev = len(self.dataset)
+        desc_calc = [MorganFP(radius=3, nBits=128)]
+        self.dataset.addDescriptors(desc_calc)
+        self.assertEqual(len_prev, len(self.dataset))
+        self.assertEqual(len_prev, len(self.dataset.getDescriptors()))
+        self.assertEqual(len_prev, len(self.dataset.X))
+        self.assertEqual(128, self.dataset.getDescriptors().shape[1])
+        self.assertEqual(128, self.dataset.X.shape[1])
+        self.assertEqual(128, self.dataset.X_ind.shape[1])
+        self.assertEqual(128, self.dataset.getFeatures(concat=True).shape[1])
+        self.assertEqual(len_prev, self.dataset.getFeatures(concat=True).shape[0])
+
+
+class TestDescriptorsAll(DataSetsPathMixIn, DescriptorInDataCheckMixIn, QSPRTestCase):
+    """Test all descriptor sets in all data sets."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand([
+        (
+            f"{desc_set}_{TargetTasks.REGRESSION}",
+            desc_set,
+            [{"name": "CL", "task": TargetTasks.REGRESSION}],
+        )
+        for desc_set in DataSetsPathMixIn.getAllDescriptors()
+    ])
+    def testDescriptorsAll(self, _, desc_set, target_props):
+        """Tests all available descriptor sets.
+
+        Note that they are not checked with all possible settings and all possible
+        preparations, but only with the default settings provided by
+        `DataSetsPathMixIn.getDefaultPrep()`. The list itself is defined and configured by
+        `DataSetsPathMixIn.getAllDescriptors()`, so if you need a specific descriptor
+        tested, add it there.
+        """
+        np.random.seed(42)
+        dataset = self.createLargeTestDataSet(
+            name=self.getDatSetName(desc_set, target_props),
+            target_props=target_props,
+            n_jobs=self.nCPU,
+            chunk_size=None,
+        )
+        self.checkDataSetContainsDescriptorSet(
+            dataset, desc_set, self.getDefaultPrep(), target_props
+        )
diff --git a/qsprpred/data/processing/__init__.py b/qsprpred/data/processing/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/data/processing/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/data/processing/applicability_domain.py b/qsprpred/data/processing/applicability_domain.py
new file mode 100644
index 00000000..aec576ff
--- /dev/null
+++ b/qsprpred/data/processing/applicability_domain.py
@@ -0,0 +1,119 @@
+from abc import ABC, abstractmethod
+
+import ml2json
+import pandas as pd
+from mlchemad.base import ApplicabilityDomain as MLChemADApplicabilityDomain
+
+from ...logs import logger
+from ...utils.serialization import JSONSerializable
+
+
+class ApplicabilityDomain(JSONSerializable, ABC):
+    """Define the applicability domain for a dataset.
+
+    A class to define the applicability domain for a dataset.
+    A fitted applicability domain can be used to filter out molecules that are not in
+    in the applicability domain or just to check if a molecule is in the applicability
+    domain.
+    """
+    @abstractmethod
+    def fit(self, X: pd.DataFrame) -> None:
+        """Fit the applicability domain model.
+
+        Args:
+            X (pd.DataFrame): array of features to fit model on
+        """
+
+    @abstractmethod
+    def contains(self, X: pd.DataFrame) -> pd.DataFrame:
+        """Check if the applicability domain contains the features.
+
+        Args:
+            X (pd.DataFrame): array of features to check
+
+        Returns:
+            pd.DataFrame: array of booleans indicating if the features are in the
+                applicability domain
+        """
+
+    def filter(self, X: pd.DataFrame) -> pd.DataFrame:
+        """Filter out some rows from a dataframe.
+
+        Args:
+            X (pd.DataFrame): array of features to filter
+
+        Returns:
+            The filtered pd.DataFrame
+        """
+        if X.shape[0] == 0:
+            logger.warning("Empty dataframe, nothing to filter")
+            return X
+        return X[self.contains(X)]
+
+    @property
+    @abstractmethod
+    def fitted(self) -> bool:
+        """Return whether the applicability domain is fitted or not."""
+
+
+
+class MLChemADWrapper(ApplicabilityDomain):
+    """Define the applicability domain for a dataset using the MLChemAD package.
+
+    This class uses the MLChemAD package to filter out molecules that are not in the
+    applicability domain. The MLChemAD package is available at
+    https://github.com/OlivierBeq/MLChemAD
+
+    Attributes:
+        applicabilityDomain (MLChemApplicabilityDomain): applicability domain object
+        fitted (bool): whether the applicability domain is fitted or not
+    """
+    def __init__(self, applicability_domain: MLChemADApplicabilityDomain) -> None:
+        """Initialize the MLChemADFilter with the domain_type attribute.
+
+        Args:
+            applicability_domain (MLChemAD): applicability domain object
+        """
+        self.applicabilityDomain = applicability_domain
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["applicabilityDomain"] = ml2json.to_dict(self.applicabilityDomain)
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.applicabilityDomain = ml2json.from_dict(state["applicabilityDomain"])
+
+    def fit(self, X: pd.DataFrame) -> None:
+        """Fit the applicability domain model.
+
+        Args:
+            X (pd.DataFrame): array of features to fit model on
+        """
+        try:
+            X = X.astype(float)
+        except ValueError:
+            logger.warning("Cannot convert X to numeric, fitting with raw data")
+        self.applicabilityDomain.fit(X)
+
+    def contains(self, X: pd.DataFrame) -> pd.DataFrame:
+        """Check if the applicability domain contains the features.
+
+        Args:
+            X (pd.DataFrame): array of features to check
+
+        Returns:
+            pd.DataFrame: array of booleans indicating if the features are in the
+                applicability domain
+        """
+        if not self.fitted:
+            raise RuntimeError("Applicability domain not fitted, call fit first")
+        return pd.DataFrame(
+            self.applicabilityDomain.contains(X), index=X.index, columns=["in_domain"]
+        )
+
+    @property
+    def fitted(self) -> bool:
+        """Return whether the applicability domain is fitted or not."""
+        return self.applicabilityDomain.fitted_
diff --git a/qsprpred/data/utils/datafilters.py b/qsprpred/data/processing/data_filters.py
similarity index 63%
rename from qsprpred/data/utils/datafilters.py
rename to qsprpred/data/processing/data_filters.py
index 3db46626..4c3b8243 100644
--- a/qsprpred/data/utils/datafilters.py
+++ b/qsprpred/data/processing/data_filters.py
@@ -3,17 +3,31 @@
 To add a new filter:
 * Add a DataFilter subclass for your new filter
 """
+from abc import ABC, abstractmethod
 from functools import partial
 from itertools import chain
-from typing import Optional
 
 import numpy as np
 import pandas as pd
 
-from ...data.interfaces import DataFilter
 from ...logs import logger
 
 
+class DataFilter(ABC):
+    """Filter out some rows from a dataframe."""
+
+    @abstractmethod
+    def __call__(self, df: pd.DataFrame) -> pd.DataFrame:
+        """Filter out some rows from a dataframe.
+
+        Args:
+            df (pd.DataFrame): dataframe to be filtered
+
+        Returns:
+            The filtered pd.DataFrame
+        """
+
+
 class CategoryFilter(DataFilter):
     """To filter out values from column
 
@@ -22,6 +36,7 @@ class CategoryFilter(DataFilter):
         values (list[str]): filter values.
         keep (bool): whether to keep or discard values.
     """
+
     def __init__(self, name: str, values: list[str], keep=False) -> None:
         """Initialize the CategoryFilter with the name, values and keep attributes.
 
@@ -63,20 +78,46 @@ def __call__(self, df: pd.DataFrame) -> pd.DataFrame:
 
 
 class RepeatsFilter(DataFilter):
-    """To filter out duplicate molecules based on descriptor values
+    """To filter out duplicate molecules based on descriptor values.
 
     Attributes:
         keep (str): For duplicate entries determines how properties are treated,
             if False remove both (/all) duplicate entries, if True keep them,
-            if first, keep row of first entry (based on year), if last keep row of
-            last entry based on year.
+            if first, keep row of first entry (based on time), if last keep row of
+            last entry based on time.
             options: 'first', 'last', True, False
-        year_name (str, optional): name of column containing year of publication
+        timeCol (str, optional): name of column containing time of publication
             used if keep is 'first' or 'last'
+        additionalCols (list[str], optional): additional columns to use for
+            determining duplicates (e.g. proteinid, in case of PCM modelling),
+            so that compounds with same descriptors but different proteinid
+            are not removed.
     """
-    def __init__(self, keep: str = "first", year_name: Optional[str] = "Year"):
+
+    def __init__(
+        self,
+        keep: str | bool = False,
+        timecol: str | None = None,
+        additional_cols: list[str] = [],
+    ) -> None:
+        """Initialize the RepeatsFilter with the keep, timecol and additional_cols
+        attributes.
+
+        Args:
+            keep (str|bool, optional): For duplicate entries determines how properties
+                are treated, if False remove both (/all) duplicate entries, if True
+                keep them, if first, keep row of first entry (based on time), if last
+                keep row of last entry based on time. Defaults to False.
+            timecol (str, optional): name of column containing time of publication
+                used if keep is 'first' or 'last'. Defaults to None.
+            additional_cols (list[str], optional): additional columns to use for
+                determining duplicates (e.g. proteinid, in case of PCM modelling),
+                so that compounds with same descriptors but different proteinid
+                are not removed. Defaults to [].
+        """
         self.keep = keep
-        self.year_name = year_name
+        self.timeCol = timecol
+        self.additionalCols = additional_cols
 
     def __call__(self, df: pd.DataFrame, descriptors: pd.DataFrame) -> pd.DataFrame:
         """Filter rows from dataframe.
@@ -85,6 +126,7 @@ def __call__(self, df: pd.DataFrame, descriptors: pd.DataFrame) -> pd.DataFrame:
             df (pandas dataframe): dataframe to filter
             descriptors (pandas dataframe): dataframe containing descriptors
         """
+
         def group_duplicate_index(df) -> list[list[int]]:
             """Group indices of duplicate rows
 
@@ -113,25 +155,29 @@ def group_duplicate_index(df) -> list[list[int]]:
             # Return list of lists of indices of duplicate rows
             return [sort_idxs[i:j] for i, j in zip(idx[::2], idx[1::2] + 1)]
 
+        # Adding additional columns to descriptors
+        for col in self.additionalCols:
+            if col in df.columns:
+                descriptors[col] = df[col]
+
         allrepeats = group_duplicate_index(descriptors)
 
         if self.keep is True:
             if len(allrepeats) > 0:
+                # print QSPRID of duplicate compounds
                 logger.warning(
                     "Dataframe contains duplicate compounds and/or compounds with "
                     "identical descriptors.\nThe following rows contain duplicates: "
-                    f"{allrepeats}"
+                    f"{[df.loc[repeats].index.values for repeats in allrepeats]}"
                 )
         elif self.keep is False:
             df = df.drop(list(chain(*allrepeats)))
         elif self.keep in ["first", "last"]:
-            logger.warning(
-                "For dataframe with multiple target properties it is "
-                "recommended to give target_props to prevent loss of "
-                "values for properties only occuring for some datapoints"
-            )
+            assert (
+                self.timeCol is not None
+            ), "timecol must be specified if keep is 'first' or 'last'"
             for repeat in allrepeats:
-                years = df.loc[repeat, self.year_name]
+                years = df.loc[repeat, self.timeCol]
                 years = pd.to_numeric(years, errors="coerce")
                 if self.keep == "first":
                     tokeep = years.idxmin()  # Use the first occurance
diff --git a/qsprpred/data/utils/featurefilters.py b/qsprpred/data/processing/feature_filters.py
similarity index 50%
rename from qsprpred/data/utils/featurefilters.py
rename to qsprpred/data/processing/feature_filters.py
index 59eb8ad8..f335e777 100644
--- a/qsprpred/data/utils/featurefilters.py
+++ b/qsprpred/data/processing/feature_filters.py
@@ -3,6 +3,8 @@
 To add a new feature filters:
 * Add a FeatureFilter subclass for your new filter
 """
+from abc import ABC, abstractmethod
+
 import numpy as np
 import pandas as pd
 from boruta import BorutaPy
@@ -10,7 +12,24 @@
 from sklearn.preprocessing import MinMaxScaler
 
 from ...logs import logger
-from ..interfaces import FeatureFilter
+from ...utils.interfaces.randomized import Randomized
+
+
+class FeatureFilter(ABC):
+    """Filter out uninformative featureNames from a dataframe."""
+
+    @abstractmethod
+    def __call__(self, df: pd.DataFrame, y_col: pd.DataFrame = None):
+        """Filter out uninformative features from a dataframe.
+
+        Args:
+            df (pd.DataFrame): dataframe to be filtered
+            y_col (pd.DataFrame, optional): output dataframe if the filtering method
+                requires it
+
+        Returns:
+            The filtered pd.DataFrame
+        """
 
 
 class LowVarianceFilter(FeatureFilter):
@@ -19,6 +38,7 @@ class LowVarianceFilter(FeatureFilter):
     Attributes:
         th (float): threshold for removing features
     """
+
     def __init__(self, th: float) -> None:
         self.th = th
 
@@ -46,6 +66,7 @@ class HighCorrelationFilter(FeatureFilter):
     Attributes:
         th (float): threshold for correlation
     """
+
     def __init__(self, th: float) -> None:
         self.th = th
 
@@ -65,59 +86,56 @@ def __call__(self, df: pd.DataFrame, y_col: pd.DataFrame = None) -> pd.DataFrame
         return df
 
 
-class BorutaFilter(FeatureFilter):
-    """Boruta filter from BorutaPy: feature selection based on Random Forest predictors.
+class BorutaFilter(FeatureFilter, Randomized):
+    """Boruta filter from BorutaPy: Boruta all-relevant feature selection.
 
-    Attributes:
-        estimator (object): A supervised learning estimator, with a 'fit' method that
-            returns the feature_importances attribute. Important features must
-            correspond to high absolute values in the feature_importances.
-        n_estimators (int or string): If int sets the number of estimators in the chosen
-            ensemble method. If 'auto' this is determined automatically based on the
-            size of the dataset. The other parameters of the used estimators need to be
-            set with initialisation.
-        perc (int): Instead of the max we use the percentile defined by the user,
-            to pick our threshold for comparison between shadow and real features.
-            The max tends to be too stringent. This provides a finer control over this.
-            The lower perc is the more false positives will be picked as relevant
-            but also the less relevant features will be left out. The usual trade-off.
-            The default is essentially the vanilla Boruta corresponding to the max.
-        alpha (float): Level at which the corrected p-values will get rejected in
-            both correction steps.
-        max_iter (int): The number of maximum iterations to perform.
-        verbose (int): Controls verbosity of output.
+    Uses BorutaPy implementation from https://github.com/scikit-learn-contrib/boruta_py
 
+    Attributes:
+        featSelector (BorutaPy): BorutaPy feature selector
+        seed (int):
+            Random state to use for shuffling and other random operations.
     """
-    def __init__(
-        self,
-        estimator=RandomForestRegressor(),
-        n_estimators="auto",
-        perc=80,
-        alpha=0.05,
-        max_iter=200,
-        verbose=2,
-    ):
-        self.estimator = estimator
-        self.nEstimators = n_estimators
-        self.perc = perc
-        self.alpha = alpha
-        self.maxIter = max_iter
-        self.verbose = verbose
+
+    def __init__(self, boruta_feat_selector: BorutaPy = None, seed: int | None = None):
+        """Initialize the BorutaFilter class.
+
+        Args:
+            boruta_feat_selector (BorutaPy, optional): The BorutaPy feature selector.
+                If not provided, a default BorutaPy instance will be created.
+            seed (int | None, optional): Random state to use for shuffling and other
+                random operations. If None, the random state set in the BorutaPy
+                instance is used. Defaults to None.
+        """
+        Randomized.__init__(self, seed)
+        self.featSelector = boruta_feat_selector
+        if self.featSelector is None:
+            self.featSelector = BorutaPy(estimator=RandomForestRegressor())
+        if seed is not None:
+            self.featSelector.random_state = seed
+
+        # set seed from BorutaPy instance to class attribute
+        self.setSeed(self.featSelector.random_state)
 
     def __call__(
         self, features: pd.DataFrame, y_col: pd.DataFrame = None
     ) -> pd.DataFrame:
-        feat_selector = BorutaPy(
-            estimator=self.estimator,
-            n_estimators=self.nEstimators,
-            perc=self.perc,
-            alpha=self.alpha,
-            max_iter=self.maxIter,
-            verbose=self.verbose,
-        )
-        feat_selector.fit(features.values, y_col.values)
-
-        selected_features = features.loc[:, feat_selector.support_]
+        """Filter out uninformative features from a dataframe using BorutaPy.
+
+        Args:
+            features (pd.DataFrame): dataframe to be filtered
+            y_col (pd.DataFrame): target column(s)
+
+        Returns:
+            pd.DataFrame: filtered dataframe
+        """
+        if y_col.shape[1] > 1:
+            raise NotImplementedError(
+                "Boruta filter only works with one target column."
+            )
+        self.featSelector.fit(features.values, y_col.values.ravel())
+
+        selected_features = features.loc[:, self.featSelector.support_]
         logger.info(
             "Number of columns dropped Boruta filter: "
             f"{features.shape[1] - selected_features.shape[1]}"
diff --git a/qsprpred/data/utils/feature_standardization.py b/qsprpred/data/processing/feature_standardizers.py
similarity index 76%
rename from qsprpred/data/utils/feature_standardization.py
rename to qsprpred/data/processing/feature_standardizers.py
index 49e7abe1..8f07c271 100644
--- a/qsprpred/data/utils/feature_standardization.py
+++ b/qsprpred/data/processing/feature_standardizers.py
@@ -1,11 +1,13 @@
 """This module is used for standardizing feature sets."""
 import numpy as np
-import sklearn_json as skljson
+import pandas as pd
+import ml2json
 
 from ...logs import logger
+from ...utils.serialization import JSONSerializable
 
 
-class SKLearnStandardizer:
+class SKLearnStandardizer(JSONSerializable):
     """Standardizer for molecular features."""
     def __init__(self, scaler):
         """
@@ -17,14 +19,19 @@ def __init__(self, scaler):
 
         self.scaler = scaler
 
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["scaler"] = ml2json.to_dict(self.scaler)
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.scaler = ml2json.from_dict(state["scaler"])
+
     def __str__(self):
         """Return string representation."""
         return f"SKLearnStandardizer_{self.scaler.__class__.__name__}"
 
-    def getInstance(self):
-        """Get scaler object."""
-        return self.scaler
-
     def __call__(self, features: np.array) -> np.array:
         """Standardize features.
 
@@ -34,29 +41,19 @@ def __call__(self, features: np.array) -> np.array:
         Returns:
             features: array of standardized features
         """
+        # if isinstance(features, np.ndarray):
+        #     features = pd.DataFrame(features)
+        # print(features)
         features = self.scaler.transform(features)
         logger.debug("Data standardized")
         return features
 
-    def toFile(self, fname) -> None:
-        """Save standardizer to json file.
-
-        Args:
-            fname: file name to save standardizer to
-        """
-        skljson.to_json(self.scaler, fname)
-
-    @staticmethod
-    def fromFile(fname: str):
-        """Construct standardizer from json file.
-
-        Args:
-            fname: file name to load standardizer from
-        """
-        return SKLearnStandardizer(skljson.from_json(fname))
+    def getInstance(self):
+        """Get scaler object."""
+        return self.scaler
 
-    @staticmethod
-    def fromFit(features: np.array, scaler):
+    @classmethod
+    def fromFit(cls, features: np.array, scaler):
         """Construct standardizer by fitting on feature set.
 
         Args:
@@ -93,6 +90,7 @@ def apply_feature_standardizer(feature_standardizer, X, fit=True):
     else:
         standardizer = SKLearnStandardizer(standardizer)
 
-    X = standardizer(X)
+    X_std = standardizer(X)
+    X = pd.DataFrame(X_std, index=X.index, columns=X.columns)
 
     return X, standardizer
diff --git a/qsprpred/data/processing/mol_processor.py b/qsprpred/data/processing/mol_processor.py
new file mode 100644
index 00000000..5471a8d2
--- /dev/null
+++ b/qsprpred/data/processing/mol_processor.py
@@ -0,0 +1,76 @@
+"""Abstract class that defines a simple callback interface to process molecules."""
+
+from abc import ABC, abstractmethod
+from typing import Any
+
+from rdkit.Chem import Mol
+
+
+class MolProcessor(ABC):
+    """A callable that processes a list of molecules either specified as strings or
+    RDKit molecules.
+    """
+
+    @abstractmethod
+    def __call__(
+        self, mols: list[str | Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> Any:
+        """Process molecules.
+
+        Args:
+            mols (list[str | Mol]):
+                A list of SMILES or RDKit molecules to process.
+            props (dict):
+                A dictionary of properties related to the molecules to process. The
+                dictionary uses property names as keys and lists of values as values.
+                Each value in the list corresponds to a molecule in the list of
+                molecules. Thus, the length of the list of values for each property
+                can be expected to be the same as the length of the list of molecules.
+            args:
+                Additional positional arguments.
+            kwargs:
+                Additional keyword arguments.
+
+        Returns:
+            Any: The result of the processing.
+        """
+
+    @property
+    @abstractmethod
+    def supportsParallel(self) -> bool:
+        """Whether the processor supports parallel processing."""
+
+    @property
+    def requiredProps(self) -> list[str]:
+        """The properties required by the processor. This is to inform the caller
+        that the processor requires certain properties to be passed to the
+        `__call__` method. By default, no properties are required.
+        """
+        return []
+
+
+class MolProcessorWithID(MolProcessor, ABC):
+    """A processor that requires a unique identifier for each molecule. Callers are
+    instructed to pass this property with the `requiredProps` attribute.
+
+    Attributes:
+        idProp (str):
+            The name of the passed property that contains
+            the molecule's unique identifier.
+    """
+
+    def __init__(self, id_prop: str | None = None):
+        """
+        Initialize the processor with the name of the property that contains the
+        molecule's unique identifier.
+
+        Args:
+            id_prop (str):
+                Name of the property that contains the molecule's unique identifier.
+                Defaults to "QSPRID".
+        """
+        self.idProp = id_prop if id_prop else "QSPRID"
+
+    @property
+    def requiredProps(self) -> list[str]:
+        return [self.idProp]
diff --git a/qsprpred/data/processing/tests.py b/qsprpred/data/processing/tests.py
new file mode 100644
index 00000000..536c3898
--- /dev/null
+++ b/qsprpred/data/processing/tests.py
@@ -0,0 +1,303 @@
+import copy
+import itertools
+
+import numpy as np
+import pandas as pd
+from parameterized import parameterized
+from rdkit.Chem import Mol
+from mlchemad.applicability_domains import KNNApplicabilityDomain
+from sklearn.preprocessing import StandardScaler
+
+from .mol_processor import MolProcessor
+from ..descriptors.fingerprints import MorganFP
+from ..descriptors.sets import DataFrameDescriptorSet
+from ... import TargetTasks
+from ...data import QSPRDataset
+from ...data.processing.applicability_domain import MLChemADWrapper
+from ...data.processing.data_filters import CategoryFilter, RepeatsFilter
+from ...data.processing.feature_filters import (
+    BorutaFilter,
+    HighCorrelationFilter,
+    LowVarianceFilter,
+)
+from ...data.processing.feature_standardizers import SKLearnStandardizer
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.path_mixins import DataSetsPathMixIn, PathMixIn
+
+
+class TestDataFilters(DataSetsPathMixIn, QSPRTestCase):
+    """Small tests to only check if the data filters work on their own.
+
+    The tests here should be used to check for all their specific parameters and
+    edge cases."""
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def testCategoryFilter(self):
+        """Test the category filter, which drops specific values from dataset
+        properties."""
+        remove_cation = CategoryFilter(name="moka_ionState7.4", values=["cationic"])
+        df_anion = remove_cation(self.getBigDF())
+        self.assertTrue((df_anion["moka_ionState7.4"] == "cationic").sum() == 0)
+
+        only_cation = CategoryFilter(
+            name="moka_ionState7.4", values=["cationic"], keep=True
+        )
+        df_cation = only_cation(self.getBigDF())
+        self.assertTrue((df_cation["moka_ionState7.4"] != "cationic").sum() == 0)
+
+    def testRepeatsFilter(self):
+        """Test the duplicate filter, which drops rows with identical descriptors
+        from dataset."""
+        descriptor_names = [f"Descriptor_{i}" for i in range(3)]
+        df = pd.DataFrame(
+            data=np.array(
+                [
+                    ["C", 1, 2, 1, 1],
+                    ["CC", 1, 2, 2, 2],
+                    ["CCC", 1, 2, 3, 3],
+                    ["C", 1, 2, 1, 4],
+                    ["C", 1, 2, 1, 5],
+                    ["CC", 1, 2, 2, 6],  # 3rd "descriptor" is length of SMILES
+                ]
+            ),
+            columns=["SMILES", *descriptor_names, "Year"],
+        )
+        # only warnings
+        df_copy = copy.deepcopy(df)
+        dup_filter1 = RepeatsFilter(keep=True)
+        df_copy = dup_filter1(df_copy, df_copy[descriptor_names])
+        self.assertEqual(len(df_copy), len(df))
+        self.assertTrue(df_copy.equals(df))
+        # drop duplicates
+        df_copy = copy.deepcopy(df)
+        dup_filter2 = RepeatsFilter(keep=False)
+        df_copy = dup_filter2(df_copy, df_copy[descriptor_names])
+        self.assertEqual(len(df_copy), 1)  # only CCC has one occurence
+        self.assertTrue(df_copy.equals(df.iloc[[2]]))
+        # keep first, by year
+        df_copy = copy.deepcopy(df)
+        dup_filter3 = RepeatsFilter(keep="first", timecol="Year")
+        df_copy = dup_filter3(df_copy, df_copy[descriptor_names])
+        self.assertEqual(len(df_copy), 3)  # three unique SMILES
+        self.assertTrue(df_copy.equals(df.iloc[[0, 1, 2]]))  # keep first by year
+
+        # check with additional columns
+        df_copy = copy.deepcopy(df)
+        df_copy["proteinid"] = ["A", "B", "B", "B", "B", "B"]
+        dup_filter4 = RepeatsFilter(additional_cols=["proteinid"])
+        df_copy = dup_filter4(df_copy, df_copy[descriptor_names])
+        self.assertEqual(len(df_copy), 2)  # C (protein A, idx 0) and CCC are unique,
+        # but C (protein B, idx 3) is a duplicate
+        # of C (protein B, idx 4) and is dropped
+
+    def testConsistency(self):
+        dataset = self.createLargeTestDataSet()
+        remove_cation = CategoryFilter(name="moka_ionState7.4", values=["cationic"])
+        self.assertTrue((dataset.getDF()["moka_ionState7.4"] == "cationic").sum() > 0)
+        dataset.filter([remove_cation])
+        self.assertEqual(len(dataset.getDF()), len(dataset.getFeatures(concat=True)))
+        self.assertTrue((dataset.getDF()["moka_ionState7.4"] == "cationic").sum() == 0)
+
+
+class TestFeatureFilters(PathMixIn, QSPRTestCase):
+    """Tests to check if the feature filters work on their own."""
+    def setUp(self):
+        """Set up the small test Dataframe."""
+        super().setUp()
+        self.setUpPaths()
+        descriptors = [
+            "Descriptor_F1",
+            "Descriptor_F2",
+            "Descriptor_F3",
+            "Descriptor_F4",
+            "Descriptor_F5",
+        ]
+        self.df_descriptors = pd.DataFrame(
+            data=np.array(
+                [
+                    [1, 4, 2, 6, 2],
+                    [1, 8, 4, 2, 4],
+                    [1, 4, 3, 2, 5],
+                    [1, 8, 4, 9, 8],
+                    [1, 4, 2, 3, 9],
+                    [1, 8, 4, 7, 12],
+                ]
+            ),
+            columns=descriptors,
+        )
+        self.df = pd.DataFrame(
+            data=np.array([["C", 1], ["C", 2], ["C", 3], ["C", 4], ["C", 5], ["C", 6]]),
+            columns=["SMILES", "y"],
+        )
+        self.dataset = QSPRDataset(
+            "TestFeatureFilters",
+            target_props=[{
+                "name": "y",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=self.df,
+            store_dir=self.generatedPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        self.df_descriptors.index = self.dataset.df.index
+        self.dataset.addDescriptors([DataFrameDescriptorSet(self.df_descriptors)])
+        self.descriptors = self.dataset.featureNames
+
+    def testLowVarianceFilter(self):
+        """Test the low variance filter, which drops features with a variance below
+        a threshold."""
+        self.dataset.filterFeatures([LowVarianceFilter(0.01)])
+        # check if correct columns selected and values still original
+        self.assertListEqual(list(self.dataset.featureNames), self.descriptors[1:])
+        self.assertListEqual(list(self.dataset.X.columns), self.descriptors[1:])
+
+    def testHighCorrelationFilter(self):
+        """Test the high correlation filter, which drops features with a correlation
+        above a threshold."""
+        self.dataset.filterFeatures([HighCorrelationFilter(0.8)])
+        # check if correct columns selected and values still original
+        self.descriptors.pop(2)
+        self.assertListEqual(list(self.dataset.featureNames), self.descriptors)
+        self.assertListEqual(list(self.dataset.X.columns), self.descriptors)
+
+    def testBorutaFilter(self):
+        """Test the Boruta filter, which removes the features which are statistically as
+        relevant as random features."""
+        self.dataset.filterFeatures([BorutaFilter()])
+        # check if correct columns selected and values still original
+        self.assertListEqual(list(self.dataset.featureNames), self.descriptors[-1:])
+        self.assertListEqual(list(self.dataset.X.columns), self.descriptors[-1:])
+
+
+class TestFeatureStandardizer(DataSetsPathMixIn, QSPRTestCase):
+    """Test the feature standardizer."""
+    def setUp(self):
+        """Create a small test dataset with MorganFP descriptors."""
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
+        self.dataset.addDescriptors([MorganFP(radius=3, nBits=128)])
+
+    def testFeaturesStandardizer(self):
+        """Test the feature standardizer fitting, transforming and serialization."""
+        scaler = SKLearnStandardizer.fromFit(self.dataset.X, StandardScaler())
+        scaled_features = scaler(self.dataset.X)
+        scaler.toFile(f"{self.generatedPath}/test_scaler.json")
+        scaler_fromfile = SKLearnStandardizer.fromFile(
+            f"{self.generatedPath}/test_scaler.json"
+        )
+        scaled_features_fromfile = scaler_fromfile(self.dataset.X)
+        self.assertIsInstance(scaled_features, np.ndarray)
+        self.assertEqual(scaled_features.shape, (len(self.dataset), 128))
+        self.assertEqual(
+            np.array_equal(scaled_features, scaled_features_fromfile), True
+        )
+
+
+def getCombos():
+    return list(
+        itertools.product(
+            [1, None],
+            [50, None],
+            [None, ["fu", "CL"], ["SMILES"]],
+            [True, False],
+            [None, [1, 2]],
+            [None, {"a": 1}],
+        )
+    )
+
+
+class TestMolProcessor(DataSetsPathMixIn, QSPRTestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    class TestingProcessor(MolProcessor):
+        def __call__(self, mols, props, *args, **kwargs):
+            assert "QSPRID" in props, "QSPRID not in props"
+            result = []
+            for mol in mols:
+                result.append((mol, *props.keys(), *args, *kwargs.keys()))
+            return np.array(result)
+
+        @property
+        def supportsParallel(self):
+            return True
+
+        @property
+        def requiredProps(self) -> list[str]:
+            return ["QSPRID"]
+
+    @parameterized.expand([["_".join([str(i) for i in x]), *x] for x in getCombos()])
+    def testMolProcess(self, _, n_jobs, chunk_size, props, add_rdkit, args, kwargs):
+        dataset = self.createLargeTestDataSet()
+        dataset.nJobs = n_jobs
+        dataset.chunkSize = chunk_size
+        self.assertTrue(dataset.nJobs is not None)
+        self.assertTrue(dataset.chunkSize is not None)
+        self.assertTrue(dataset.nJobs > 0)
+        self.assertTrue(dataset.chunkSize > 0)
+        result = dataset.processMols(
+            self.TestingProcessor(),
+            add_props=props,
+            as_rdkit=add_rdkit,
+            proc_args=args,
+            proc_kwargs=kwargs,
+        )
+        expected_props = (
+            [*props, "QSPRID", "SMILES"]
+            if props is not None
+            else dataset.getProperties()
+        )
+        expected_props = set(expected_props)
+        expected_args = set(args) if args is not None else set()
+        expected_kwargs = set(kwargs) if kwargs is not None else set()
+        expected_cols = (
+            len(expected_props) + len(expected_args) + len(expected_kwargs) + 1
+        )
+        for item in result:
+            if dataset.nJobs > 1:
+                self.assertTrue(item.shape[0] <= dataset.chunkSize)
+            else:
+                self.assertTrue(item.shape[0] == len(dataset))
+            self.assertEqual(
+                item.shape[1],
+                expected_cols,
+            )
+            for prop in expected_props:
+                self.assertIn(prop, item)
+            if add_rdkit:
+                self.assertIsInstance(item[0, 0], Mol)
+            else:
+                self.assertIsInstance(item[0, 0], str)
+
+
+class testApplicabilityDomain(DataSetsPathMixIn, QSPRTestCase):
+    """Test the applicability domain."""
+    def setUp(self):
+        """Create a small test dataset with MorganFP descriptors."""
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
+        self.dataset.addDescriptors([MorganFP(radius=3, nBits=1000)])
+
+    def testApplicabilityDomain(self):
+        """Test the applicability domain fitting, transforming and serialization."""
+        ad = MLChemADWrapper(
+            KNNApplicabilityDomain(
+                dist="rogerstanimoto", scaling=None, hard_threshold=0.75
+            )
+        )
+        ad.fit(self.dataset.X)
+        self.assertIsInstance(ad.contains(self.dataset.X), pd.DataFrame)
+        filtered_dataset = ad.filter(self.dataset.X)
+        self.assertIsInstance(filtered_dataset, pd.DataFrame)
+
+        ad.toFile(f"{self.generatedPath}/test_ad.json")
+        ad_fromfile = MLChemADWrapper.fromFile(f"{self.generatedPath}/test_ad.json")
+        self.assertIsInstance(ad_fromfile.contains(self.dataset.X), pd.DataFrame)
+        filtered_dataset_fromfile = ad_fromfile.filter(self.dataset.X)
+        self.assertIsInstance(filtered_dataset_fromfile, pd.DataFrame)
diff --git a/qsprpred/data/sampling/__init__.py b/qsprpred/data/sampling/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/data/sampling/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/data/sampling/folds.py b/qsprpred/data/sampling/folds.py
new file mode 100644
index 00000000..3b980793
--- /dev/null
+++ b/qsprpred/data/sampling/folds.py
@@ -0,0 +1,160 @@
+"""A module that provides a class that creates folds from a given data set."""
+from abc import ABC, abstractmethod
+from typing import Generator
+
+import pandas as pd
+from ...data.processing.feature_standardizers import apply_feature_standardizer
+
+
+class FoldGenerator(ABC):
+    """A generator that creates folds from a given data set."""
+
+    @abstractmethod
+    def iterFolds(
+            self,
+            dataset: "QSPRDataset",
+            concat=False
+    ) -> Generator[tuple[
+        pd.DataFrame,
+        pd.DataFrame,
+        pd.DataFrame | pd.Series,
+        pd.DataFrame | pd.Series,
+        list[int],
+        list[int]
+    ], None, None]:
+        """
+        Returns the generator of folds to iterate over.
+
+        Args:
+            dataset (QSPRDataset):
+                the data set to generate the splits for
+            concat (bool, optional):
+                whether to concatenate the features in the test
+                and training set of the data set (default: False)
+
+        Returns:
+            generator:
+                a generator that yields a tuple of
+                (X_train, X_test, y_train, y_test, train_index, test_index)
+        """
+        pass
+
+    def getFolds(self, dataset: "QSPRDataset"):
+        """Directly converts the output of `iterFolds` to a `list`."""
+        return list(self.iterFolds(dataset))
+
+
+class FoldsFromDataSplit(FoldGenerator):
+    """This generator takes a scikit-learn or scikit-learn-like splitter
+    and creates folds from it. It is possible to pass a standardizer to
+    make sure features in the splits are properly standardized.
+
+    Attributes:
+        split (DataSplit):
+            the splitter to use to create the folds (this can also just be
+            a raw scikit-learn splitter)
+        featureStandardizer:
+            the standardizer to use to standardize the features (this can also
+            just be a raw scikit-learn standardizer)
+    """
+
+    def _standardize_folds(self, folds):
+        """A generator that fits and applies feature standardizers to each fold
+        returned. They are properly fitted on the training set and applied to the
+        test set."""
+        for X_train, X_test, y_train, y_test, train_index, test_index in folds:
+            X_train, standardizer = apply_feature_standardizer(
+                self.featureStandardizer, X_train, fit=True
+            )
+            X_test, _ = apply_feature_standardizer(standardizer, X_test, fit=False)
+            yield X_train, X_test, y_train, y_test, train_index, test_index
+
+    def __init__(self, split: "DataSplit", feature_standardizer=None):
+        """Initialize the generator with a splitter and a standardizer.
+
+        Args:
+            split (DataSplit):
+                the splitter to use to create the folds (this can also just be
+                a raw scikit-learn splitter)
+            feature_standardizer:
+                the standardizer to use to standardize the features (this can also
+                just be a raw scikit-learn standardizer)
+        """
+        self.split = split
+        self.featureStandardizer = feature_standardizer
+
+    def _make_folds(
+        self,
+        X: pd.DataFrame,
+        y: pd.DataFrame | pd.Series
+    ) -> Generator[tuple[
+        pd.DataFrame,
+        pd.DataFrame,
+        pd.DataFrame | pd.Series,
+        pd.DataFrame | pd.Series,
+        list[int],
+        list[int]
+    ], None, None]:
+        """A generator that converts folds as returned by the splitter to a tuple of
+        (X_train, X_test, y_train, y_test, train_index, test_index).
+
+        Arguments:
+            X (pd.DataFrame): feature matrix as a DataFrame
+            y (pd.Series): target values
+        Returns:
+            generator: a generator that yields tuples of
+                (X_train, X_test, y_train, y_test, train_index, test_index)
+        """
+        folds = self.split.split(X, y)
+        for train_index, test_index in folds:
+            yield X.iloc[train_index, :], X.iloc[test_index, :], y.iloc[
+                train_index], y.iloc[test_index], train_index, test_index
+
+    def iterFolds(
+            self,
+            dataset: "QSPRDataset",
+            concat=False
+    ) -> Generator[tuple[
+        pd.DataFrame,
+        pd.DataFrame,
+        pd.DataFrame | pd.Series,
+        pd.DataFrame | pd.Series,
+        list[int],
+        list[int]
+    ], None, None]:
+        """Create folds from X and y. Can be used either for cross-validation,
+        bootstrapping or train-test split.
+
+        Each split in the resulting generator is represented by a tuple:
+        (
+            X_train, # feature matrix of the training set
+            X_test, # feature matrix of the test set
+            y_train, # target values of the training set
+            y_test, # target values of the test set
+            train_index, # indices of the training set in the original data set
+            test_index # indices of the test set in the original data set
+        )
+
+        Arguments:
+            dataset (QSPRDataset):
+                the data set to generate the splits for
+        Returns:
+            generator:
+                a generator that yields a tuple of
+                (X_train, X_test, y_train, y_test, train_index, test_index)
+
+        """
+        if hasattr(self.split, "setDataSet"):
+            self.split.setDataSet(dataset)
+        if hasattr(self.split, "setSeed") and hasattr(self.split, "getSeed"):
+            if self.split.getSeed() is None:
+                self.split.setSeed(dataset.randomState)
+        features = dataset.getFeatures(raw=True, concat=concat, ordered=True)
+        targets = dataset.getTargetPropertiesValues(concat=concat, ordered=True)
+        if not concat:
+            features = features[0]
+            targets = targets[0]
+        if self.featureStandardizer:
+            return self._standardize_folds(self._make_folds(features, targets))
+        else:
+            return self._make_folds(features, targets)
diff --git a/qsprpred/data/sampling/splits.py b/qsprpred/data/sampling/splits.py
new file mode 100644
index 00000000..c8170cb9
--- /dev/null
+++ b/qsprpred/data/sampling/splits.py
@@ -0,0 +1,554 @@
+"""Different splitters to create train and tests for evalutating QSPR model performance.
+
+To add a new data splitter:
+* Add a DataSplit subclass for your new splitter
+"""
+import platform
+from abc import ABC, abstractmethod
+from typing import Iterable
+
+import numpy as np
+import pandas as pd
+from gbmtsplits import GloballyBalancedSplit
+from sklearn.model_selection import ShuffleSplit
+
+from ...data.chem.clustering import (
+    FPSimilarityMaxMinClusters,
+    MoleculeClusters,
+    RandomClusters,
+    ScaffoldClusters,
+)
+from ...data.chem.scaffolds import Murcko, Scaffold
+from ...data.tables.base import MoleculeDataTable, DataSetDependant
+from ...data.tables.qspr import QSPRDataset
+from ...logs import logger
+from ...utils.interfaces.randomized import Randomized
+
+
+class DataSplit(DataSetDependant, ABC):
+    """
+    Defines a function split a dataframe into train and test set.
+
+    Attributes:
+        dataset (MoleculeDataTable): The dataset to split.
+    """
+
+    def __init__(self, dataset: MoleculeDataTable | None = None) -> None:
+        super().__init__(dataset)
+
+    @abstractmethod
+    def split(
+        self, X: np.ndarray | pd.DataFrame, y: np.ndarray | pd.DataFrame | pd.Series
+    ) -> Iterable[tuple[list[int], list[int]]]:
+        """Split the given data into one or multiple train/test subsets.
+
+        These classes handle partitioning of a feature matrix
+        by returning an generator of train
+        and test indices. It is compatible with the approach taken
+        in the `sklearn` package (see `sklearn.model_selection._BaseKFold`).
+        This can be used for both cross-validation or a one time train/test split.
+
+        Args:
+            X (np.ndarray | pd.DataFrame): the input data matrix
+            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
+
+        Returns:
+            an generator over the generated subsets represented as a tuple of
+            (train_indices, test_indices) where the indices are the row indices of the
+            input data matrix X (note that these are integer indices, rather than a
+            pandas index!)
+        """
+
+    def splitDataset(self, dataset: "QSPRDataset"):
+        return self.split(
+            dataset.getFeatures(concat=True),
+            dataset.getTargetPropertiesValues(concat=True),
+        )
+
+
+class RandomSplit(DataSplit, Randomized):
+    """Splits dataset in random train and test subsets.
+
+    Attributes:
+        testFraction (float):
+            fraction of total dataset to testset
+        seed (int):
+            Random state to use for shuffling and other random operations.
+    """
+
+    def __init__(
+        self,
+        test_fraction=0.1,
+        dataset: QSPRDataset | None = None,
+        seed: int | None = None,
+    ) -> None:
+        DataSplit.__init__(self, dataset)
+        Randomized.__init__(self, seed)
+        self.testFraction = test_fraction
+        self.setSeed(seed or (dataset.randomState if self.hasDataSet else None))
+
+    def split(self, X, y):
+        if self.seed is None:
+            self.seed = self.setSeed(
+                self.getDataSet().randomState if self.hasDataSet else None
+            )
+        if self.seed is None:
+            logger.info(
+                "No random state supplied, "
+                "and could not find random state on the dataset."
+                "Random seed will be set randomly."
+            )
+        return ShuffleSplit(
+            1, test_size=self.testFraction, random_state=self.seed
+        ).split(X, y)
+
+
+class BootstrapSplit(DataSplit, Randomized):
+    """Splits dataset in random train and test subsets (bootstraps). Unlike
+    cross-validation, bootstrapping allows for repeated samples in the test set.
+
+    Attributes:
+        nBootstraps (int):
+            number of bootstraps to perform
+        seed (int):
+            Random state to use for shuffling and other random operations.
+    """
+
+    def __init__(self, split: DataSplit, n_bootstraps=5, seed=None):
+        """Initialize a BootstrapSplit object.
+
+        Args:
+            split (DataSplit): the splitter to use for the bootstraps
+            n_bootstraps (int): number of bootstraps to perform
+            seed (int): random seed to use for random operations
+        """
+        Randomized.__init__(self, seed)
+        self._split = split
+        self._original_split_seed = split.seed if hasattr(split, "seed") else None
+        self.nBootstraps = n_bootstraps
+        self._current = 0
+
+    def split(
+        self, X: np.ndarray | pd.DataFrame, y: np.ndarray | pd.DataFrame | pd.Series
+    ) -> Iterable[tuple[list[int], list[int]]]:
+        """Split the given data into `nBootstraps` training and test sets.
+
+        Args:
+            X (np.ndarray | pd.DataFrame): the input data matrix
+            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
+
+        Returns:
+            an generator over `nBootstraps` tuples generated by the underlying splitter
+        """
+        if hasattr(self._split, "setDataSet") and self.hasDataSet:
+            self._split.setDataSet(self.getDataSet())
+        for i in range(self.nBootstraps):
+            if hasattr(self._split, "setSeed") and self.seed is not None:
+                self._split.setSeed(self.seed + self._current)
+            yield from self._split.split(X, y)
+            self._current += 1
+        if hasattr(self._split, "setSeed"):
+            self._split.setSeed(self._original_split_seed)
+        self._current = 0
+
+
+class ManualSplit(DataSplit):
+    """Splits dataset in train and test subsets based on a column in the dataframe.
+
+    Attributes:
+        splitCol (pd.Series): pandas series with split information
+        trainVal (str): value in splitcol that will be used for training
+        testVal (str): value in splitcol that will be used for testing
+
+    Raises:
+        ValueError: if there are more values in splitcol than trainval and testval
+    """
+
+    def __init__(self, splitcol: pd.Series, trainval: str, testval: str) -> None:
+        """Initialize the ManualSplit object with the splitcol, trainval and testval
+        attributes.
+
+        Args:
+            splitCol (pd.Series): pandas series with split information
+            trainVal (str): value in splitcol that will be used for training
+            testVal (str): value in splitcol that will be used for testing
+
+        Raises:
+            ValueError: if there are more values in splitcol than trainval and testval
+        """
+        super().__init__()
+        self.splitCol = splitcol.reset_index(drop=True)
+        self.trainVal = trainval
+        self.testVal = testval
+        # check if only trainval and testval are present in splitcol
+        if not set(splitcol.unique()).issubset({trainval, testval}):
+            raise ValueError(
+                "There are more values in splitcol than trainval and testval"
+            )
+
+    def split(self, X, y):
+        """
+        Split the given data into one or multiple train/test subsets based on the
+        predefined splitcol.
+
+        Args:
+            X (np.ndarray | pd.DataFrame): the input data matrix
+            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
+
+        Returns:
+            an generator over the generated subsets represented as a tuple of
+            (train_indices, test_indices) where the indices are the row indices of the
+            input data matrix
+        """
+        train = self.splitCol[self.splitCol == self.trainVal].index.values
+        test = self.splitCol[self.splitCol == self.testVal].index.values
+        return iter([(train, test)])
+
+
+class TemporalSplit(DataSplit):
+    """
+    Splits dataset train and test subsets based on a threshold in time.
+
+    Attributes:
+        dataset (QSPRDataset): dataset that this splitter will be acting on
+        timeSplit(float): time point after which sample to test set
+        timeCol (str): name of the column within the dataframe with timepoints
+    """
+
+    def __init__(
+        self,
+        timesplit: float | list[float],
+        timeprop: str,
+        dataset: QSPRDataset | None = None,
+    ):
+        """Initialize a TemporalSplit object.
+
+        Args:
+            dataset (QSPRDataset):
+                dataset that this splitter will be acting on
+            timesplit (float | list[float]):
+                time point after which sample is moved to test set. If a list is
+                provided, the splitter will split the dataset into multiple subsets
+                based on the timepoints in the list.
+            timeprop (str): name of the column within the dataframe with timepoints
+        """
+        super().__init__(dataset=dataset)
+        self.timeSplit = timesplit
+        self.timeCol = timeprop
+
+    def split(self, X, y):
+        """
+        Split single-task dataset based on a time threshold.
+
+        Returns:
+            an generator over the generated subsets represented as a tuple of
+            (train_indices, test_indices) where the indices are the row indices of the
+            input data matrix
+        """
+        timesplits = (
+            self.timeSplit
+            if isinstance(self.timeSplit, list)
+            else [
+                self.timeSplit,
+            ]
+        )
+        for timesplit in timesplits:
+            # Get dataset, dataframe and tasks
+            ds = self.getDataSet()
+            df = ds.getDF().loc[X.index, :].copy()
+            task_names = [TargetProperty.name for TargetProperty in ds.targetProperties]
+
+            assert len(task_names) > 0, "No target properties found."
+            assert len(X) == len(
+                df
+            ), "X and the current data in the dataset must have same length"
+
+            if len(task_names) > 1:
+                logger.warning(
+                    "The TemporalSplit is not recommended for multitask "
+                    "or PCM datasets might lead to very unbalanced subsets "
+                    "for some tasks"
+                )
+
+            indices = np.array(list(range(len(df))))
+            mask = df[self.timeCol] > timesplit
+            mask = mask.values
+            test = indices[mask]
+            # Check if there are any test samples for each task
+            for task in task_names:
+                if len(df[mask][task]) == 0:
+                    raise ValueError(f"No test samples found for task {task.name}")
+                elif len(df[~mask][task]) == 0:
+                    raise ValueError(f"No train samples found for task {task.name}")
+
+            train = indices[~mask]
+
+            yield train, test
+
+
+class GBMTDataSplit(DataSplit):
+    """
+    Splits dataset into balanced train and test subsets
+    based on an initial clustering algorithm. If `nFolds` is specified,
+    the determined clusters will be split into `nFolds` groups of approximately
+    equal size, and the splits will be generated by leaving out one group at a time.
+
+    Attributes:
+        dataset (QSPRDataset):
+            dataset that this splitter will be acting on
+        clustering (MoleculeClusters):
+            clustering algorithm to use
+        testFraction (float):
+            fraction of total dataset to testset
+        nFolds (int):
+            number of folds to split the dataset into
+            (this overrides `testFraction` and `customTestList`)
+        customTestList (list):
+            list of molecule indexes to force in test set
+        split_kwargs (dict):
+            additional arguments to be passed to the GloballyBalancedSplit
+    """
+
+    def __init__(
+        self,
+        dataset: QSPRDataset = None,
+        clustering: MoleculeClusters = FPSimilarityMaxMinClusters(),
+        test_fraction: float = 0.1,
+        n_folds: int = 1,
+        custom_test_list: list[str] | None = None,
+        **split_kwargs,
+    ):
+        super().__init__(dataset)
+        self.testFraction = test_fraction
+        self.customTestList = custom_test_list
+        self.clustering = clustering
+        self.split_kwargs = split_kwargs if split_kwargs else {}
+        self.nFolds = n_folds
+        if self.nFolds > 1:
+            self.testFraction = None
+            self.customTestList = None
+
+    def setDataSet(self, dataset: MoleculeDataTable):
+        super().setDataSet(dataset)
+        if self.nFolds > 1:
+            self.testFraction = (len(dataset) / self.nFolds) / len(dataset)
+
+    def split(
+        self, X: np.ndarray | pd.DataFrame, y: np.ndarray | pd.DataFrame | pd.Series
+    ) -> Iterable[tuple[list[int], list[int]]]:
+        """
+        Split dataset into balanced train and test subsets
+        based on an initial clustering algorithm.
+
+        Args:
+            X (np.ndarray | pd.DataFrame): the input data matrix
+            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
+
+        Returns:
+            an generator over the generated subsets represented as a tuple of
+            (train_indices, test_indices) where the indices are the row indices of the
+            input data matrix
+        """
+        # if we are on Windows, raise an error
+        if platform.system() == "Windows":
+            logger.warning(
+                "The GBMTDataSplit currently has a problem on Windows:"
+                "https://github.com/coin-or/pulp/issues/671 and might hang up..."
+            )
+        # Get dataset, dataframe and tasks
+        ds = self.getDataSet()
+        df = ds.getDF().copy()  # need numeric index splits
+        df = df.loc[X.index, :]
+        df.reset_index(drop=True, inplace=True)
+        task_names = [TargetProperty.name for TargetProperty in ds.targetProperties]
+        assert len(task_names) > 0, "No target properties found."
+        assert len(X) == len(
+            df
+        ), "X and the current data in the dataset must have same length"
+        # Get clusters
+        clusters = self.clustering.get_clusters(df[ds.smilesCol].tolist())
+        # Pre-assign smiles of custom_test_list to test set
+        preassigned_smiles = (
+            {
+                df.loc[df.QSPRID == qspridx][ds.smilesCol].values[0]: 1
+                for qspridx in self.customTestList
+            }
+            if self.customTestList
+            else None
+        )
+        logger.debug(f"Split arguments: {self.split_kwargs}")
+        # Split dataset
+        if self.nFolds == 1:
+            sizes = [1 - self.testFraction, self.testFraction]
+        else:
+            sizes = [self.testFraction] * self.nFolds
+        splitter = GloballyBalancedSplit(
+            sizes=sizes,
+            clusters=clusters,
+            clustering_method=None,  # As precomputed clusters are provided
+            **self.split_kwargs,
+        )
+        df_split = splitter(
+            df,
+            ds.smilesCol,
+            task_names,
+            preassigned_smiles=preassigned_smiles,
+        )
+        # Get indices
+        for split in (
+            df_split["Split"].unique()
+            if self.nFolds > 1
+            else [
+                1,
+            ]
+        ):
+            split = int(split)
+            test_indices = df_split[df_split["Split"] == split].index.values
+            train_indices = df_split[df_split["Split"] != split].index.values
+            assert len(train_indices) + len(test_indices) == len(
+                df
+            ), "Not all samples were assigned to a split"
+            # Reset index back to QSPRID
+            df.set_index(ds.indexCols, inplace=True, drop=False)
+            yield train_indices, test_indices
+
+
+class GBMTRandomSplit(GBMTDataSplit):
+    """
+    Splits dataset into balanced random train and test subsets.
+
+    Attributes:
+        dataset (QSPRDataset):
+            dataset that this splitter will be acting on
+        testFraction (float):
+            fraction of total dataset to testset
+        seed (int):
+            Random state to use for shuffling and other random operations.
+        customTestList (list):
+            list of molecule indexes to force in test set
+        split_kwargs (dict):
+            additional arguments to be passed to the GloballyBalancedSplit
+    """
+
+    def __init__(
+        self,
+        dataset: QSPRDataset | None = None,
+        test_fraction: float = 0.1,
+        n_folds: int = 1,
+        seed: int | None = None,
+        n_initial_clusters: int | None = None,
+        custom_test_list: list[str] | None = None,
+        **split_kwargs,
+    ) -> None:
+        seed = seed or (dataset.randomState if dataset is not None else None)
+        if seed is None:
+            logger.info(
+                "No random state supplied, "
+                "and could not find random state on the dataset."
+                "Random seed will be set randomly."
+            )
+
+        super().__init__(
+            dataset,
+            RandomClusters(seed, n_initial_clusters),
+            test_fraction,
+            n_folds,
+            custom_test_list,
+            **split_kwargs,
+        )
+
+
+class ScaffoldSplit(GBMTDataSplit):
+    """
+    Splits dataset into balanced train and test subsets based on molecular scaffolds.
+
+    Attributes:
+        dataset (QSPRDataset):
+            dataset that this splitter will be acting on
+        testFraction (float):
+            fraction of total dataset to testset
+        customTestList (list):
+            list of molecule indexes to force in test set
+        split_kwargs (dict):
+            additional arguments to be passed to the GloballyBalancedSplit
+    """
+
+    def __init__(
+        self,
+        dataset: QSPRDataset | None = None,
+        scaffold: Scaffold = Murcko(),
+        test_fraction: float = 0.1,
+        n_folds: int = 1,
+        custom_test_list: list | None = None,
+        **split_kwargs,
+    ) -> None:
+        super().__init__(
+            dataset,
+            ScaffoldClusters(scaffold),
+            test_fraction,
+            n_folds,
+            custom_test_list,
+            **split_kwargs,
+        )
+
+
+class ClusterSplit(GBMTDataSplit):
+    """
+    Splits dataset into balanced train and test subsets based on clusters of similar
+    molecules.
+
+    Attributes:
+        dataset (QSPRDataset):
+            dataset that this splitter will be acting on
+        testFraction (float):
+            fraction of total dataset to testset
+        customTestList (list):
+            list of molecule indexes to force in test set
+        seed (int):
+            Random state to use for shuffling and other random operations.
+        split_kwargs (dict):
+            additional arguments to be passed to the GloballyBalancedSplit
+    """
+
+    def __init__(
+        self,
+        dataset: QSPRDataset = None,
+        test_fraction: float = 0.1,
+        n_folds: int = 1,
+        custom_test_list: list[str] | None = None,
+        seed: int | None = None,
+        clustering: MoleculeClusters | None = None,
+        **split_kwargs,
+    ) -> None:
+        seed = seed or (dataset.randomState if dataset is not None else None)
+        if seed is None:
+            logger.info(
+                "No random state supplied, "
+                "and could not find random state on the dataset."
+                "Random seed will be set randomly."
+            )
+
+        clustering = (
+            clustering
+            if clustering is not None
+            else FPSimilarityMaxMinClusters(seed=seed)
+        )
+        super().__init__(
+            dataset,
+            clustering,
+            test_fraction,
+            n_folds,
+            custom_test_list,
+            **split_kwargs,
+        )
+
+    def setSeed(self, seed: int | None):
+        """Set the seed for this instance.
+
+        Args:
+            seed (int):
+                Random state to use for shuffling and other random operations.
+        """
+        self.seed = seed
+        if hasattr(self.clustering, "seed"):
+            self.clustering.seed = seed
diff --git a/qsprpred/data/sampling/tests.py b/qsprpred/data/sampling/tests.py
new file mode 100644
index 00000000..dc3b30fa
--- /dev/null
+++ b/qsprpred/data/sampling/tests.py
@@ -0,0 +1,327 @@
+import numpy as np
+from parameterized import parameterized
+from sklearn.model_selection import KFold, StratifiedKFold
+from sklearn.preprocessing import StandardScaler, MinMaxScaler
+
+from ..descriptors.fingerprints import MorganFP
+from ...data import (
+    RandomSplit,
+    TemporalSplit,
+    BootstrapSplit,
+    ScaffoldSplit,
+    ClusterSplit,
+    QSPRDataset,
+)
+from ...data.chem.clustering import (
+    FPSimilarityLeaderPickerClusters,
+    FPSimilarityMaxMinClusters,
+)
+from ...data.chem.scaffolds import Murcko, BemisMurcko
+from ...data.sampling.folds import FoldsFromDataSplit
+from ...data.sampling.splits import ManualSplit
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.path_mixins import DataSetsPathMixIn
+
+
+class TestDataSplitters(DataSetsPathMixIn, QSPRTestCase):
+    """Small tests to only check if the data splitters work on their own.
+
+    The tests here should be used to check for all their specific parameters and edge
+    cases."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+        self.splitYear = 2000
+
+    def testManualSplit(self):
+        """Test the manual split function, where the split is done manually."""
+        dataset = self.createLargeTestDataSet()
+        dataset.nJobs = self.nCPU
+        dataset.chunkSize = self.chunkSize
+        # Add extra column to the data frame to use for splitting
+        dataset.df["split"] = "train"
+        dataset.df.loc[dataset.df.sample(frac=0.1).index, "split"] = "test"
+        split = ManualSplit(dataset.df["split"], "train", "test")
+        dataset.prepareDataset(split=split)
+        self.validate_split(dataset)
+
+    @parameterized.expand(
+        [
+            (False,),
+            (True,),
+        ]
+    )
+    def testRandomSplit(self, multitask):
+        """Test the random split function."""
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet()
+        else:
+            dataset = self.createLargeTestDataSet()
+        dataset = self.createLargeTestDataSet()
+        dataset.prepareDataset(split=RandomSplit(test_fraction=0.1))
+        self.validate_split(dataset)
+
+    @parameterized.expand(
+        [
+            (False,),
+            (True,),
+        ]
+    )
+    def testTemporalSplit(self, multitask):
+        """Test the temporal split function, where the split is done based on a time
+        property."""
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet()
+        else:
+            dataset = self.createLargeTestDataSet()
+        split = TemporalSplit(
+            timesplit=self.splitYear,
+            timeprop="Year of first disclosure",
+        )
+        # prepare and validate the split
+        dataset.prepareDataset(split=split)
+        self.validate_split(dataset)
+        # test if dates higher than 2000 are in test set
+        test_set = dataset.getFeatures()[1]
+        years = dataset.getDF().loc[test_set.index, "Year of first disclosure"]
+        self.assertTrue(all(years > self.splitYear))
+        # test bootstrapping
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet(
+                name="TemporalSplit_bootstrap_mt"
+            )
+        else:
+            dataset = self.createLargeTestDataSet(name="TemporalSplit_bootstrap")
+        split = TemporalSplit(
+            timesplit=[self.splitYear - 1, self.splitYear, self.splitYear + 1],
+            timeprop="Year of first disclosure",
+        )
+        bootstrap_split = BootstrapSplit(
+            split=split,
+            n_bootstraps=10,
+        )
+        for time, fold_info in zip(
+            split.timeSplit, list(dataset.iterFolds(bootstrap_split))
+        ):
+            years = dataset.getDF().loc[fold_info[1].index, "Year of first disclosure"]
+            self.assertTrue(all(years > time))
+
+    @parameterized.expand(
+        [
+            (False, Murcko(), None),
+            (
+                False,
+                BemisMurcko(use_csk=True),
+                ["ScaffoldSplit_000", "ScaffoldSplit_001"],
+            ),
+            (True, Murcko(), None),
+        ]
+    )
+    def testScaffoldSplit(self, multitask, scaffold, custom_test_list):
+        """Test the scaffold split function."""
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet(name="ScaffoldSplit")
+        else:
+            dataset = self.createLargeTestDataSet(name="ScaffoldSplit")
+        split = ScaffoldSplit(
+            scaffold=scaffold,
+            custom_test_list=custom_test_list,
+        )
+        dataset.prepareDataset(split=split)
+        self.validate_split(dataset)
+        # check that smiles in custom_test_list are in the test set
+        if custom_test_list:
+            self.assertTrue(
+                all(mol_id in dataset.X_ind.index for mol_id in custom_test_list)
+            )
+        # check folding by scaffold
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet(name="ScaffoldSplit_folding_mt")
+        else:
+            dataset = self.createLargeTestDataSet(name="ScaffoldSplit_folding")
+        n_folds = 5
+        split = ScaffoldSplit(
+            scaffold=scaffold,
+            custom_test_list=custom_test_list,
+            n_folds=n_folds,
+        )
+        test_index_all = []
+        for k, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(
+            dataset.iterFolds(split)
+        ):
+            self.assertTrue(all(x not in test_index_all for x in test_index))
+            self.assertTrue(len(X_train) > len(X_test))
+            test_index_all.extend(X_test.index.tolist())
+        self.assertEqual(k, n_folds - 1)
+        self.assertEqual(len(test_index_all), len(dataset.getFeatures(concat=True)))
+
+    @parameterized.expand(
+        [
+            (
+                False,
+                FPSimilarityLeaderPickerClusters(
+                    fp_calculator=MorganFP(radius=2, nBits=128)
+                ),
+                None,
+            ),
+            (
+                False,
+                FPSimilarityMaxMinClusters(fp_calculator=MorganFP(radius=2, nBits=128)),
+                ["ClusterSplit_000", "ClusterSplit_001"],
+            ),
+            (
+                True,
+                FPSimilarityMaxMinClusters(fp_calculator=MorganFP(radius=2, nBits=128)),
+                None,
+            ),
+            (
+                True,
+                FPSimilarityLeaderPickerClusters(
+                    fp_calculator=MorganFP(radius=2, nBits=128)
+                ),
+                ["ClusterSplit_000", "ClusterSplit_001"],
+            ),
+        ]
+    )
+    def testClusterSplit(self, multitask, clustering_algorithm, custom_test_list):
+        """Test the cluster split function."""
+        if multitask:
+            dataset = self.createLargeMultitaskDataSet(name="ClusterSplit")
+        else:
+            dataset = self.createLargeTestDataSet(name="ClusterSplit")
+        split = ClusterSplit(
+            clustering=clustering_algorithm,
+            custom_test_list=custom_test_list,
+            time_limit_seconds=10,
+        )
+        dataset.prepareDataset(split=split)
+        self.validate_split(dataset)
+        # check that smiles in custom_test_list are in the test set
+        if custom_test_list:
+            self.assertTrue(
+                all(mol_id in dataset.X_ind.index for mol_id in custom_test_list)
+            )
+
+    def testSerialization(self):
+        """Test the serialization of dataset with datasplit."""
+        dataset = self.createLargeTestDataSet()
+        split = ScaffoldSplit()
+        n_bits = 128
+        dataset.prepareDataset(
+            split=split,
+            feature_calculators=[MorganFP(radius=3, nBits=n_bits)],
+            feature_standardizer=StandardScaler(),
+        )
+        self.validate_split(dataset)
+        test_ids = dataset.X_ind.index.values
+        train_ids = dataset.y_ind.index.values
+        dataset.save()
+        dataset_new = QSPRDataset.fromFile(dataset.metaFile)
+        self.validate_split(dataset_new)
+        self.assertTrue(dataset_new.descriptorSets)
+        self.assertTrue(dataset_new.featureStandardizer)
+        self.assertTrue(len(dataset_new.featureNames) == n_bits)
+        self.assertTrue(all(mol_id in dataset_new.X_ind.index for mol_id in test_ids))
+        self.assertTrue(all(mol_id in dataset_new.y_ind.index for mol_id in train_ids))
+        dataset_new.clearFiles()
+
+
+class TestFoldSplitters(DataSetsPathMixIn, QSPRTestCase):
+    """Small tests to only check if the fold splitters work on their own.
+
+    The tests here should be used to check for all their specific parameters and
+    edge cases."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def validateFolds(self, folds, more=None):
+        """Check if the folds have the data they should have after splitting."""
+        k = 0
+        tested_indices = []
+        for (
+            X_train,
+            X_test,
+            y_train,
+            y_test,
+            train_index,
+            test_index,
+        ) in folds:
+            k += 1
+            self.assertEqual(len(X_train), len(y_train))
+            self.assertEqual(len(X_test), len(y_test))
+            self.assertEqual(len(train_index), len(y_train))
+            self.assertEqual(len(test_index), len(y_test))
+            tested_indices.extend(X_test.index.tolist())
+            if more:
+                more(X_train, X_test, y_train, y_test, train_index, test_index)
+        return k, tested_indices
+
+    def testStandardFolds(self):
+        """Test the default fold generator, which is a 5-fold cross validation."""
+        # test default settings with regression
+        dataset = self.createLargeTestDataSet()
+        dataset.addDescriptors([MorganFP(radius=3, nBits=128)])
+        fold = KFold(5, shuffle=True, random_state=dataset.randomState)
+        generator = FoldsFromDataSplit(fold)
+        k, indices = self.validateFolds(generator.iterFolds(dataset))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.df.index) - set(indices))
+        # test directly on data set
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.df.index) - set(indices))
+        # test default settings with classification
+        dataset.makeClassification("CL", th=[20])
+        fold = StratifiedKFold(5, shuffle=True, random_state=dataset.randomState)
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.df.index) - set(indices))
+        # test with a standarizer
+        MAX_VAL = 2
+        MIN_VAL = 1
+        scaler = MinMaxScaler(feature_range=(MIN_VAL, MAX_VAL))
+        dataset.prepareDataset(feature_standardizer=scaler)
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.df.index) - set(indices))
+
+        def check_min_max(X_train, X_test, *args, **kwargs):
+            self.assertTrue(np.max(X_train.values) == MAX_VAL)
+            self.assertTrue(np.min(X_train.values) == MIN_VAL)
+            self.assertTrue(np.max(X_test.values) == MAX_VAL)
+            self.assertTrue(np.min(X_test.values) == MIN_VAL)
+
+        self.validateFolds(dataset.iterFolds(fold), more=check_min_max)
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.df.index) - set(indices))
+
+        # try with a split data set
+        dataset.split(RandomSplit(test_fraction=0.1))
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertFalse(set(dataset.X.index) - set(indices))
+
+    def testBootstrappedFold(self):
+        dataset = self.createLargeTestDataSet(random_state=None)
+        dataset.addDescriptors([MorganFP(radius=3, nBits=128)])
+        split = RandomSplit(0.2)
+        fold = BootstrapSplit(split, n_bootstraps=5)
+        k, indices = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        # check if the indices are the same if we do the same split again
+        split = RandomSplit(0.2)
+        fold = BootstrapSplit(split, n_bootstraps=5, seed=dataset.randomState)
+        k, indices_second = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertListEqual(indices, indices_second)
+        # check if the indices are different if we do a different split
+        split = RandomSplit(0.2)
+        fold = BootstrapSplit(split, n_bootstraps=5, seed=42)
+        k, indices_third = self.validateFolds(dataset.iterFolds(fold))
+        self.assertEqual(k, 5)
+        self.assertEqual(split.getSeed(), None)
+        self.assertNotEqual(indices, indices_third)
diff --git a/qsprpred/data/sources/__init__.py b/qsprpred/data/sources/__init__.py
index e69de29b..e4c57a00 100644
--- a/qsprpred/data/sources/__init__.py
+++ b/qsprpred/data/sources/__init__.py
@@ -0,0 +1 @@
+from .data_source import DataSource
diff --git a/qsprpred/data/sources/data_source.py b/qsprpred/data/sources/data_source.py
new file mode 100644
index 00000000..fbe65708
--- /dev/null
+++ b/qsprpred/data/sources/data_source.py
@@ -0,0 +1,20 @@
+from abc import ABC, abstractmethod
+
+from qsprpred import TargetProperty
+from qsprpred.data import MoleculeTable, QSPRDataset
+
+
+class DataSource(ABC):
+    @abstractmethod
+    def getData(self, name: str | None = None, **kwargs) -> MoleculeTable:
+        pass
+
+    def getDataSet(
+        self,
+        target_props: list[TargetProperty | dict],
+        name: str | None = None,
+        **kwargs
+    ) -> QSPRDataset:
+        mt = self.getData(name, **kwargs)
+        name = name or mt.name
+        return QSPRDataset.fromMolTable(mt, target_props, name, **kwargs)
diff --git a/qsprpred/data/sources/papyrus/papyrus_class.py b/qsprpred/data/sources/papyrus/papyrus_class.py
index aa9cf233..f32a3540 100644
--- a/qsprpred/data/sources/papyrus/papyrus_class.py
+++ b/qsprpred/data/sources/papyrus/papyrus_class.py
@@ -8,17 +8,20 @@
 import papyrus_scripts
 from papyrus_scripts.download import download_papyrus
 
-from ...data import MoleculeTable
+from qsprpred.logs import logger
 from .papyrus_filter import papyrus_filter
+from ..data_source import DataSource
+from ...tables.mol import MoleculeTable
 
 
-class Papyrus:
+class Papyrus(DataSource):
     """Create new instance of Papyrus dataset.
     See `papyrus_filter` and `Papyrus.download` and `Papyrus.getData` for more details.
 
     Attributes:
         DEFAULT_DIR (str): default directory for Papyrus database and the extracted data
         dataDir (str): storage directory for Papyrus database and the extracted data
+        _papyrusDir (str): directory where the Papyrus database is located, os.path.join(dataDir, "papyrus")
         version (list): Papyrus database version
         descriptors (list, str, None): descriptors to download if not already present
         stereo (bool): use version with stereochemistry
@@ -58,6 +61,7 @@ def __init__(
                 use only plusplus version, only high quality data
         """
         self.dataDir = data_dir
+        self._papyrusDir = os.path.join(self.dataDir, "papyrus")
         self.version = version
         self.descriptors = descriptors
         self.stereo = stereo
@@ -71,24 +75,31 @@ def download(self):
         Only newly requested data is downloaded. Remove the files if you want to
         reload the data completely.
         """
-        os.makedirs(self.dataDir, exist_ok=True)
-        download_papyrus(
-            outdir=self.dataDir,
-            version=self.version,
-            descriptors=self.descriptors,
-            stereo=self.stereo,
-            nostereo=self.nostereo,
-            disk_margin=self.diskMargin,
-            only_pp=self.plusplus,
-        )
+        if not os.path.exists(self._papyrusDir):
+            os.makedirs(self.dataDir, exist_ok=True)
+            logger.info("Downloading Papyrus database...")
+            download_papyrus(
+                outdir=self.dataDir,
+                version=self.version,
+                descriptors=self.descriptors,
+                stereo=self.stereo,
+                nostereo=self.nostereo,
+                disk_margin=self.diskMargin,
+                only_pp=self.plusplus,
+            )
+        else:
+            logger.info(
+                "Papyrus database already downloaded. Using existing data. "
+                f"Delete the following folder to reload the data: {self._papyrusDir}"
+            )
 
     def getData(
         self,
-        acc_keys: list[str],
-        quality: str,
+        name: str | None = None,
+        acc_keys: list[str] | None = None,
+        quality: str = "high",
         activity_types: list[str] | str = "all",
         output_dir: Optional[str] = None,
-        name: Optional[str] = None,
         drop_duplicates: bool = False,
         chunk_size: int = 1e5,
         use_existing: bool = True,
@@ -110,16 +121,21 @@ def getData(
         Returns:
             MolculeTable: the filtered data set
         """
+        logger.debug("Getting data from Papyrus data source...")
+        assert acc_keys is not None, "Please provide a list of accession keys."
+        name = name or "papyrus"
         self.download()
+        logger.debug("Papyrus data set finished downloading.")
         output_dir = output_dir or self.dataDir
         if not os.path.exists(output_dir):
             raise ValueError(f"Output directory '{output_dir}' does not exist.")
+        logger.debug(f"Filtering Papyrus for accession keys: {acc_keys}")
         data, path = papyrus_filter(
             acc_key=acc_keys,
             quality=quality,
             outdir=output_dir,
             activity_types=activity_types,
-            prefix=name or os.path.basename(output_dir),
+            prefix=name,
             drop_duplicates=drop_duplicates,
             chunk_size=chunk_size,
             use_existing=use_existing,
@@ -127,7 +143,11 @@ def getData(
             plusplus=self.plusplus,
             papyrus_dir=self.dataDir,
         )
-        return MoleculeTable.fromTableFile(name, path, store_dir=output_dir, **kwargs)
+        logger.debug("Finished filtering Papyrus data set.")
+        logger.debug(f"Creating MoleculeTable from '{path}'.")
+        ret = MoleculeTable.fromTableFile(name, path, store_dir=output_dir, **kwargs)
+        logger.debug(f"Finished creating MoleculeTable from '{path}'.")
+        return ret
 
     def getProteinData(
         self,
@@ -155,7 +175,9 @@ def getProteinData(
         if os.path.exists(path) and use_existing:
             return pd.read_table(path)
         else:
-            protein_data = papyrus_scripts.read_protein_set(version=self.version)
+            protein_data = papyrus_scripts.read_protein_set(
+                source_path=self.dataDir, version=self.version
+            )
             protein_data["accession"] = protein_data["target_id"].apply(
                 lambda x: x.split("_")[0]
             )
diff --git a/qsprpred/data/sources/papyrus/papyrus_filter.py b/qsprpred/data/sources/papyrus/papyrus_filter.py
index 791c22fd..9ea0450e 100644
--- a/qsprpred/data/sources/papyrus/papyrus_filter.py
+++ b/qsprpred/data/sources/papyrus/papyrus_filter.py
@@ -11,19 +11,21 @@
 )
 from papyrus_scripts.reader import read_papyrus
 
+from qsprpred.logs import logger
+
 
 def papyrus_filter(
     acc_key: list[str],
     quality: str,
     outdir: str,
     activity_types: list[str] | str = "all",
-    prefix: str = None,
+    prefix: str | None = None,
     drop_duplicates: bool = True,
     chunk_size: int = 1e5,
     use_existing: bool = True,
     stereo: bool = False,
     plusplus: bool = False,
-    papyrus_dir: str = None,
+    papyrus_dir: str | None = None,
 ):
     """Filters the downloaded Papyrus dataset for quality and accession key (UniProt)
     and outputs a .tsv file of all compounds fulfilling these requirements.
@@ -51,38 +53,38 @@ def papyrus_filter(
     papyrus_dir = outdir if not papyrus_dir else papyrus_dir
 
     if use_existing and os.path.exists(outfile):
-        print(f"Using existing data from {outfile}...")
+        logger.info(f"Using existing data from {outfile}...")
         return pd.read_table(outfile, sep="\t", header=0), outfile
 
     # read data
-    print(f"Reading data from {papyrus_dir}...")
+    logger.info(f"Reading data from {papyrus_dir}...")
     sample_data = read_papyrus(
         is3d=stereo, chunksize=chunk_size, source_path=papyrus_dir, plusplus=plusplus
     )
-    print("Read all data.")
+    logger.info("Read all data.")
 
     # data filters
     filter1 = keep_quality(data=sample_data, min_quality=quality)
     filter2 = keep_accession(data=filter1, accession=acc_key)
     filter3 = keep_type(data=filter2, activity_types=activity_types)
-    print("Initialized filters.")
+    logger.info("Initialized filters.")
 
     # filter data per chunk
     filtered_data = consume_chunks(generator=filter3)
-    print(f"Number of compounds:{filtered_data.shape[0]}")
+    logger.info(f"Number of compounds:{filtered_data.shape[0]}")
 
     # filter out duplicate InChiKeys
     if drop_duplicates:
-        print("Filtering out duplicate molecules")
+        logger.info("Filtering out duplicate molecules")
         amnt_mols_i = len(filtered_data["InChIKey"])
         filtered_data.drop_duplicates(
             subset=["InChIKey"], inplace=True, ignore_index=True
         )
         amnt_mols_f = len(filtered_data["InChIKey"])
-        print(f"Filtered out {amnt_mols_i - amnt_mols_f} duplicate molecules")
+        logger.info(f"Filtered out {amnt_mols_i - amnt_mols_f} duplicate molecules")
 
     # write filtered data to .tsv file
     filtered_data.to_csv(outfile, sep="\t", index=False)
-    print(f"Wrote data to file '{outfile}'.")
+    logger.info(f"Wrote data to file '{outfile}'.")
 
     return filtered_data, outfile
diff --git a/qsprpred/data/tables/__init__.py b/qsprpred/data/tables/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/data/tables/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/data/interfaces.py b/qsprpred/data/tables/base.py
similarity index 53%
rename from qsprpred/data/interfaces.py
rename to qsprpred/data/tables/base.py
index 7e5167d6..f9e9fd63 100644
--- a/qsprpred/data/interfaces.py
+++ b/qsprpred/data/tables/base.py
@@ -1,13 +1,14 @@
-"""Abstract base classes for data preparation classes."""
 from abc import ABC, abstractmethod
-from typing import Callable, Iterable
+from typing import Callable, Generator
 
-import numpy as np
 import pandas as pd
 
+from qsprpred.data.descriptors.sets import DescriptorSet
+
 
 class StoredTable(ABC):
     """Abstract base class for tables that are stored in a file."""
+
     @abstractmethod
     def save(self):
         """Save the table to a file."""
@@ -33,14 +34,18 @@ def fromFile(filename: str) -> "StoredTable":
         """
 
 
-class DataSet(StoredTable):
+class DataTable(StoredTable):
     @abstractmethod
     def __len__(self):
         pass
 
+    @abstractmethod
+    def getProperty(self, name: str):
+        """Get values of a given property."""
+
     @abstractmethod
     def getProperties(self):
-        """Get the properties of the dataset."""
+        """Get the property names contained in the dataset."""
 
     @abstractmethod
     def addProperty(self, name: str, data: list):
@@ -71,15 +76,16 @@ def getSubset(self, prefix: str):
     def apply(
         self,
         func: callable,
+        on_props: list[str] | None = None,
         func_args: list | None = None,
         func_kwargs: dict | None = None,
-        *args,
-        **kwargs,
     ):
-        """Apply a function to the dataset.
+        """Apply a function on all or selected properties. The properties are supplied
+        as the first positional argument to the function.
 
         Args:
             func (callable): The function to apply.
+            on_props (list, optional): The properties to include.
             func_args (list, optional): The positional arguments of the function.
             func_kwargs (dict, optional): The keyword arguments of the function.
         """
@@ -97,16 +103,16 @@ def filter(self, table_filters: list[Callable]):
         """
 
 
-class MoleculeDataSet(DataSet):
+class MoleculeDataTable(DataTable):
     @abstractmethod
-    def addDescriptors(self, calculator: "DescriptorsCalculator"):  # noqa: F821
+    def addDescriptors(self, descriptors: DescriptorSet, *args, **kwargs):
         """
         Add descriptors to the dataset.
 
         Args:
-            calculator (DescriptorsCalculator): An instance of the
-                `DescriptorsCalculator` class that wraps the descriptors to be
-                calculated.
+            descriptors (list[DescriptorSet]): The descriptors to add.
+            args: Additional positional arguments to be passed to each descriptor set.
+            kwargs: Additional keyword arguments to be passed to each descriptor set.
         """
 
     @abstractmethod
@@ -132,88 +138,37 @@ def getDescriptorNames(self) -> list[str]:
     def hasDescriptors(self):
         """Indicates if the dataset has descriptors."""
 
+    @property
+    @abstractmethod
+    def smiles(self) -> Generator[str, None, None]:
+        """Get the SMILES strings of the molecules in the dataset.
+
+        Returns:
+            list[str]: The SMILES strings of the molecules in the dataset.
+        """
+
 
 class DataSetDependant:
     """Classes that need a data set to operate have to implement this."""
-    def __init__(self, dataset: MoleculeDataSet | None = None) -> None:
+
+    def __init__(self, dataset: MoleculeDataTable | None = None) -> None:
         self.dataSet = dataset
 
-    def setDataSet(self, dataset: MoleculeDataSet):
-        """
-        Set the data sets.
-        """
+    def setDataSet(self, dataset: MoleculeDataTable):
         self.dataSet = dataset
 
     @property
-    def hasDataSet(self):
+    def hasDataSet(self) -> bool:
+        """Indicates if this object has a data set attached to it."""
         return self.dataSet is not None
 
     def getDataSet(self):
+        """Get the data set attached to this object.
+
+        Raises:
+            ValueError: If no data set is attached to this object.
+        """
         if self.hasDataSet:
             return self.dataSet
         else:
             raise ValueError("Data set not set.")
-
-
-class DataSplit(ABC, DataSetDependant):
-    """
-    Defines a function split a dataframe into train and test set.
-
-    Attributes:
-        dataset (MoleculeDataSet): The dataset to split.
-    """
-    def __init__(self, dataset: MoleculeDataSet) -> None:
-        super().__init__(dataset)
-
-    @abstractmethod
-    def split(
-        self, X: np.ndarray | pd.DataFrame, y: np.ndarray | pd.DataFrame | pd.Series
-    ) -> Iterable[tuple[list[int], list[int]]]:
-        """Split the given data into one or multiple train/test subsets.
-
-        These classes handle partitioning of a feature matrix
-        by returning an iterator of train
-        and test indices. It is compatible with the approach taken
-        in the `sklearn` package (see `sklearn.model_selection._BaseKFold`).
-        This can be used for both cross-validation or a one time train/test split.
-
-        Args:
-            X (np.ndarray | pd.DataFrame): the input data matrix
-            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
-
-        Returns:
-            an iterator over the generated subsets represented as a tuple of
-            (train_indices, test_indices) where the indices are the row indices of the
-            input data matrix X (note that these are integer indices, rather than a
-            pandas index!)
-        """
-
-
-class DataFilter(ABC):
-    """Filter out some rows from a dataframe."""
-    @abstractmethod
-    def __call__(self, df: pd.DataFrame) -> pd.DataFrame:
-        """Filter out some rows from a dataframe.
-
-        Args:
-            df (pd.DataFrame): dataframe to be filtered
-
-        Returns:
-            The filtered pd.DataFrame
-        """
-
-
-class FeatureFilter(ABC):
-    """Filter out uninformative featureNames from a dataframe."""
-    @abstractmethod
-    def __call__(self, df: pd.DataFrame, y_col: pd.DataFrame = None):
-        """Filter out uninformative features from a dataframe.
-
-        Args:
-            df (pd.DataFrame): dataframe to be filtered
-            y_col (pd.DataFrame, optional): output dataframe if the filtering method
-                requires it
-
-        Returns:
-            The filtered pd.DataFrame
-        """
diff --git a/qsprpred/data/tables/mol.py b/qsprpred/data/tables/mol.py
new file mode 100644
index 00000000..f6d30b76
--- /dev/null
+++ b/qsprpred/data/tables/mol.py
@@ -0,0 +1,1103 @@
+import os
+import pickle
+from multiprocessing import Pool
+from typing import Optional, ClassVar, Generator, Literal, Callable, Any
+
+import numpy as np
+import pandas as pd
+from rdkit import Chem
+from rdkit.Chem import PandasTools
+
+from qsprpred.data.tables.searchable import SearchableMolTable
+from .pandas import PandasDataTable
+from ..chem.matching import match_mol_to_smarts
+from ..descriptors.sets import DescriptorSet
+from ..processing.mol_processor import MolProcessor
+from ...data.chem.scaffolds import Scaffold
+from ...data.chem.standardization import (
+    CheckSmilesValid,
+    chembl_smi_standardizer,
+    old_standardize_sanitize,
+)
+from ...logs import logger
+from ...utils.interfaces.summarizable import Summarizable
+
+
+class DescriptorTable(PandasDataTable):
+    """Pandas table that holds descriptor data for modelling and other analyses.
+
+    Attributes:
+        calculator (DescriptorSet):
+            `DescriptorSet` used for descriptor calculation.
+    """
+
+    def __init__(
+        self,
+        calculator: DescriptorSet,
+        name: str,
+        df: Optional[pd.DataFrame] = None,
+        store_dir: str = ".",
+        overwrite: bool = False,
+        key_cols: list | None = None,
+        n_jobs: int = 1,
+        chunk_size: int = 1000,
+        autoindex_name: str = "QSPRID",
+        random_state: int | None = None,
+        store_format: str = "pkl",
+    ):
+        """Initialize a `DescriptorTable` object.
+
+        Args:
+            calculator (DescriptorSet):
+                `DescriptorSet` used for descriptor calculation.
+            name (str):
+                Name of the  new  descriptor table.
+            df (pd.DataFrame):
+                data frame containing the descriptors. If you provide a
+                dataframe for a dataset that already exists on disk,
+                the dataframe from disk will override the supplied data
+                frame. Set 'overwrite' to `True` to override
+                the data frame on disk.
+            store_dir (str):
+                Directory to store the dataset files. Defaults to the
+                current directory. If it already contains files with the same name,
+                the existing data will be loaded.
+            overwrite (bool):
+                Overwrite existing dataset.
+            key_cols (list):
+                list of columns to use as index. If None, the index
+                will be a custom generated ID.
+            n_jobs (int):
+                Number of jobs to use for parallel processing. If <= 0,
+                all available cores will be used.
+            chunk_size (int):
+                Size of chunks to use per job in parallel processing.
+            autoindex_name (str):
+                Column name to use for automatically generated IDs.
+            random_state (int):
+                Random state to use for shuffling and other random ops.
+            store_format (str):
+                Format to use for storing the data ('pkl' or 'csv').
+        """
+        super().__init__(
+            name,
+            df,
+            store_dir,
+            overwrite,
+            key_cols,
+            n_jobs,
+            chunk_size,
+            autoindex_name,
+            random_state,
+            store_format,
+        )
+        self.calculator = calculator
+
+    def getDescriptors(self, active_only=True):
+        """Get the descriptors stored in this table."""
+        return self.df[self.getDescriptorNames(active_only=active_only)]
+
+    def getDescriptorNames(self, active_only=True):
+        """Get the names of the descriptors in this represented by this table.
+        By default, only active descriptors are returned. You can use active_only=False
+        to get all descriptors saved in the table.
+
+        Args:
+            active_only (bool): Whether to return only descriptors that are active in
+                the current descriptor set. Defaults to `True`.
+
+        """
+        all_descs = self.df.columns[~self.df.columns.isin(self.indexCols)].tolist()
+        if active_only:
+            return [x for x in all_descs if x in self.calculator.descriptors]
+        else:
+            return all_descs
+
+    def fillMissing(self, fill_value, names):
+        """Fill missing values in the descriptor table.
+
+        Args:
+            fill_value (float): Value to fill missing values with.
+            names (list): List of descriptor names to fill. If `None`, all descriptors
+                are filled.
+        """
+        columns = names if names else self.getDescriptorNames()
+        self.df[columns] = self.df[columns].fillna(fill_value)
+
+    def keepDescriptors(self, descriptors: list[str]) -> list[str]:
+        """Mark only the given descriptors as active in this set.
+
+        Args:
+            descriptors (list): list of descriptor names to keep
+
+        Returns:
+            list[str]: list of descriptor names that were kept
+
+        Raises:
+            ValueError: If any of the descriptors are not present in the table.
+        """
+        all_descs = self.getDescriptorNames(active_only=False)
+        to_keep = set(all_descs) & set(descriptors)
+        self.calculator.descriptors = [
+            x for x in self.calculator.descriptors if x in to_keep
+        ]
+        return self.getDescriptorNames()
+
+
+class MoleculeTable(PandasDataTable, SearchableMolTable, Summarizable):
+    """Class that holds and prepares molecule data for modelling and other analyses.
+
+    Attributes:
+        smilesCol (str):
+            Name of the column containing the SMILES sequences
+            of molecules.
+        includesRdkit (bool):
+            Whether the data frame contains RDKit molecules as one of
+            the properties.
+        descriptors (list[DescriptorTable]):
+            List of `DescriptorTable` objects containing the descriptors
+            calculated for this table.
+    """
+
+    _notJSON: ClassVar = PandasDataTable._notJSON + ["descriptors"]
+
+    def __init__(
+        self,
+        name: str,
+        df: Optional[pd.DataFrame] = None,
+        smiles_col: str = "SMILES",
+        add_rdkit: bool = False,
+        store_dir: str = ".",
+        overwrite: bool = False,
+        n_jobs: int | None = 1,
+        chunk_size: int | None = None,
+        drop_invalids: bool = True,
+        index_cols: Optional[list[str]] = None,
+        autoindex_name: str = "QSPRID",
+        random_state: int | None = None,
+        store_format: str = "pkl",
+    ):
+        """Initialize a `MoleculeTable` object.
+
+        This object wraps a pandas dataframe and provides short-hand methods to prepare
+        molecule data for modelling and analysis.
+
+        Args:
+            name (str): Name of the dataset. You can use this name to load the dataset
+                from disk anytime and create a new instance.
+            df (pd.DataFrame): Pandas dataframe containing the data. If you provide a
+                dataframe for a dataset that already exists on disk,
+            the dataframe from disk will override the supplied data frame. Set
+                'overwrite' to `True` to override the data frame on disk.
+            smiles_col (str): Name of the column containing the SMILES sequences
+                of molecules.
+            add_rdkit (bool): Add RDKit molecule instances to the dataframe.
+                WARNING: This can take a lot of memory.
+            store_dir (str): Directory to store the dataset files. Defaults to the
+                current directory. If it already contains files with the same name,
+                the existing data will be loaded.
+            overwrite (bool): Overwrite existing dataset.
+            n_jobs (int): Number of jobs to use for parallel processing. If <= 0, all
+                available cores will be used.
+            chunk_size (int): Size of chunks to use per job in parallel processing.
+            drop_invalids (bool): Drop invalid molecules from the data frame.
+            index_cols (list[str]): list of columns to use as index. If None, the index
+                will be a custom generated ID.
+            autoindex_name (str): Column name to use for automatically generated IDs.
+            random_state (int): Random state to use for shuffling and other random ops.
+            store_format (str): Format to use for storing the data ('pkl' or 'csv').
+        """
+        super().__init__(
+            name,
+            df,
+            store_dir,
+            overwrite,
+            index_cols,
+            n_jobs,
+            chunk_size,
+            autoindex_name,
+            random_state,
+            store_format,
+        )
+        # the descriptors
+        self.descriptors = []
+        # settings
+        self.smilesCol = smiles_col
+        self.includesRdkit = add_rdkit
+        # drop invalid columns
+        if drop_invalids:
+            self.dropInvalids()
+            # update chunk size if count changed
+            self.chunkSize = chunk_size
+        # add rdkit molecules if requested
+        if self.includesRdkit and "RDMol" not in self.df.columns:
+            PandasTools.AddMoleculeColumnToFrame(
+                self.df,
+                smilesCol=self.smilesCol,
+                molCol="RDMol",
+                includeFingerprints=False,
+            )
+            self.includesRdkit = True
+
+    def searchWithIndex(
+        self, index: pd.Index, name: str | None = None
+    ) -> "MoleculeTable":
+        """Search in this table using a pandas index. The return values
+        is a new table with the molecules from the old table with the given indices.
+
+        Args:
+            index(pd.Index):
+                Indices to search for in this table.
+            name(str):
+                Name of the new table. Defaults to the name of the old table,
+                plus the `_searched` suffix.
+
+        Returns:
+            MoleculeTable:
+                A new table with the molecules from the
+                old table with the given indices.
+        """
+        name = f"{self.name}_searched" if name is None else name
+        ret = MoleculeTable(
+            name=name,
+            df=self.df.loc[index, :],
+            smiles_col=self.smilesCol,
+            add_rdkit=False,
+            store_dir=self.storeDir,
+            overwrite=True,
+            n_jobs=self.nJobs,
+            chunk_size=self.chunkSize,
+            drop_invalids=False,
+            index_cols=self.indexCols,
+            random_state=self.randomState,
+            store_format=self.storeFormat,
+        )
+        for table in self.descriptors:
+            ret.descriptors.append(
+                DescriptorTable(
+                    table.calculator,
+                    name=ret.generateDescriptorDataSetName(table.calculator),
+                    df=table.getDF().loc[index, :],
+                    store_dir=table.storeDir,
+                    overwrite=True,
+                    key_cols=table.indexCols,
+                    n_jobs=table.nJobs,
+                    chunk_size=table.chunkSize,
+                    store_format=table.storeFormat,
+                    random_state=table.randomState,
+                )
+            )
+        return ret
+
+    def searchOnProperty(
+        self, prop_name: str, values: list[str], name: str | None = None, exact=False
+    ) -> "MoleculeTable":
+        """Search in this table using a property name and a list of values. It is
+        assumed that the property is searchable with string matching. Either an
+        exact match or a partial match can be used. If 'exact' is `False`, the
+        search will be performed with partial matching, i.e. all molecules that
+        contain any of the given values in the property will be returned. If
+        'exact' is `True`, only molecules that have the exact property value for
+        any of the given values will be returned.
+
+        Args:
+            prop_name (str):
+                Name of the property to search on.
+            values (list[str]):
+                List of values to search for. If any of the values is found in the
+                property, the molecule will be considered a match.
+            name (str | None, optional):
+                Name of the new table. Defaults to the name of
+                the old table, plus the `_searched` suffix.
+            exact (bool, optional):
+                Whether to use exact matching, i.e. whether to
+                search for exact strings or just substrings. Defaults to False.
+
+        Returns:
+            MoleculeTable:
+                A new table with the molecules from the
+                old table with the given property values.
+        """
+        mask = [False] * len(self.df)
+        for value in values:
+            mask = (
+                mask | (self.df[prop_name].str.contains(value))
+                if not exact
+                else mask | (self.df[prop_name] == value)
+            )
+        matches = self.df.index[mask]
+        return self.searchWithIndex(matches, name)
+
+    def searchWithSMARTS(
+        self,
+        patterns: list[str],
+        operator: Literal["or", "and"] = "or",
+        use_chirality: bool = False,
+        name: str | None = None,
+        match_function: Callable = match_mol_to_smarts,
+    ) -> "MoleculeTable":
+        """Search the molecules in the table with a SMARTS pattern.
+
+        Args:
+            patterns:
+                List of SMARTS patterns to search with.
+            operator (object):
+                Whether to use an "or" or "and" operator on patterns. Defaults to "or".
+            use_chirality:
+                Whether to use chirality in the search.
+            name:
+                Name of the new table. Defaults to the name of the old table,
+                plus the `smarts_searched` suffix.
+            match_function:
+                Function to use for matching the molecules to the SMARTS patterns.
+                Defaults to `match_mol_to_smarts`.
+
+        Returns:
+            (MolTable): A dataframe with the molecules that match the pattern.
+        """
+        matches = self.df.index[
+            self.df[self.smilesCol].apply(
+                lambda x: match_function(
+                    x, patterns, operator=operator, use_chirality=use_chirality
+                )
+            )
+        ]
+        return self.searchWithIndex(
+            matches, name=f"{self.name}_smarts_searched" if name is None else name
+        )
+
+    def getSummary(self):
+        """
+        Make a summary with some statistics about the molecules in this table.
+        The summary contains the number of molecules per target and the number of
+        unique molecules per target.
+
+        Requires this data set to be imported from Papyrus for now.
+
+        Returns:
+            (pd.DataFrame): A dataframe with the summary statistics.
+
+        """
+        summary = {
+            "mols_per_target": self.df.groupby("accession")
+            .count()["InChIKey"]
+            .to_dict(),
+            "mols_per_target_unique": self.df.groupby("accession")
+            .aggregate(lambda x: len(set(x)))["InChIKey"]
+            .to_dict(),
+        }
+        return pd.DataFrame(summary)
+
+    def sample(
+        self, n: int, name: str | None = None, random_state: int | None = None
+    ) -> "MoleculeTable":
+        """
+        Sample n molecules from the table.
+
+        Args:
+            n (int):
+                Number of molecules to sample.
+            name (str):
+                Name of the new table. Defaults to the name of the old
+                table, plus the `_sampled` suffix.
+            random_state (int):
+                Random state to use for shuffling and other random ops.
+
+        Returns:
+            (MoleculeTable): A dataframe with the sampled molecules.
+        """
+        random_state = random_state or self.randomState
+        name = f"{self.name}_sampled" if name is None else name
+        index = self.df.sample(n=n, random_state=random_state).index
+        return self.searchWithIndex(index, name=name)
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["descriptors"] = []
+        for desc in self.descriptors:
+            o_dict["descriptors"].append(os.path.basename(desc.storeDir))
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.descriptors = []
+        for desc in state["descriptors"]:
+            desc = os.path.join(self.storeDir, desc, f"{desc}_meta.json")
+            self.descriptors.append(DescriptorTable.fromFile(desc))
+
+    def toFile(self, filename: str):
+        ret = super().toFile(filename)
+        for desc in self.descriptors:
+            desc.save()
+        return ret
+
+    @property
+    def descriptorSets(self):
+        """Get the descriptor calculators for this table."""
+        return [x.calculator for x in self.descriptors]
+
+    @staticmethod
+    def fromSMILES(name: str, smiles: list, *args, **kwargs):
+        """Create a `MoleculeTable` instance from a list of SMILES sequences.
+
+        Args:
+            name (str): Name of the data set.
+            smiles (list): list of SMILES sequences.
+            *args: Additional arguments to pass to the `MoleculeTable` constructor.
+            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
+                constructor.
+        """
+        smilescol = "SMILES"
+        df = pd.DataFrame({smilescol: smiles})
+        return MoleculeTable(name, df, *args, smiles_col=smilescol, **kwargs)
+
+    @staticmethod
+    def fromTableFile(name: str, filename: str, sep="\t", *args, **kwargs):
+        """Create a `MoleculeTable` instance from a file containing a table of molecules
+        (i.e. a CSV file).
+
+        Args:
+            name (str): Name of the data set.
+            filename (str): Path to the file containing the table.
+            sep (str): Separator used in the file for different columns.
+            *args: Additional arguments to pass to the `MoleculeTable` constructor.
+            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
+                constructor.
+        """
+        return MoleculeTable(name, pd.read_table(filename, sep=sep), *args, **kwargs)
+
+    @staticmethod
+    def fromSDF(name, filename, smiles_prop, *args, **kwargs):
+        """Create a `MoleculeTable` instance from an SDF file.
+
+        Args:
+            name (str): Name of the data set.
+            filename (str): Path to the SDF file.
+            smiles_prop (str): Name of the property in the SDF file containing the
+                SMILES sequence.
+            *args: Additional arguments to pass to the `MoleculeTable` constructor.
+            **kwargs: Additional keyword arguments to pass to the `MoleculeTable`
+                constructor.
+        """
+        # FIXME: the RDKit mols are always added here, which might be unnecessary
+        return MoleculeTable(
+            name,
+            PandasTools.LoadSDF(filename, molColName="RDMol"),
+            smiles_col=smiles_prop,
+            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
+            **kwargs,
+        )
+
+    @classmethod
+    def runMolProcess(
+        cls,
+        props: dict[str, list] | pd.DataFrame,
+        func: MolProcessor,
+        add_rdkit: bool,
+        smiles_col: str,
+        *args,
+        **kwargs,
+    ):
+        """A helper method to run a `MolProcessor` on a list of molecules via `apply`.
+        It converts the SMILES to RDKit molecules if required and then applies the
+        function to the `MolProcessor` object.
+
+        Args:
+            props (dict):
+                Dictionary of properties that will be passed in addition to the
+                molecule structure.
+            func (MolProcessor):
+                `MolProcessor` object to use for processing.
+            add_rdkit (bool):
+                Whether to convert the SMILES to RDKit molecules before
+                applying the function.
+            smiles_col (str):
+                Name of the property containing the SMILES sequences.
+            *args:
+                Additional positional arguments to pass to the function.
+            **kwargs:
+                Additional keyword arguments to pass to the function.
+        """
+        if add_rdkit:
+            mols = (
+                props["RDMol"]
+                if "RDMol" in props
+                else [Chem.MolFromSmiles(x) for x in props[smiles_col]]
+            )
+        else:
+            mols = props[smiles_col]
+        return func(mols, props, *args, **kwargs)
+
+    def processMols(
+        self,
+        processor: MolProcessor,
+        proc_args: tuple[Any] | None = None,
+        proc_kwargs: dict[str, Any] | None = None,
+        add_props: list[str] | None = None,
+        as_rdkit: bool = False,
+        chunk_size: int | None = None,
+        n_jobs: int | None = None,
+    ) -> Generator:
+        """Apply a function to the molecules in the data frame.
+        The SMILES  or an RDKit molecule will be supplied as the first
+        positional argument to the function. Additional properties
+        to provide from the data set can be specified with 'add_props', which will be
+        a dictionary supplied as an additional positional argument to the function.
+
+        IMPORTANT: For successful parallel processing, the processor must be picklable.
+        Also note that
+        the returned generator will produce results as soon as they are ready,
+        which means that the chunks of data will
+        not be in the same order as the original data frame. However, you can pass the
+        value of `idProp` in `add_props` to identify the processed molecules.
+        See `CheckSmilesValid` for an example.
+
+        Args:
+            processor (MolProcessor):
+                `MolProcessor` object to use for processing.
+            proc_args (list, optional):
+                Any additional positional arguments to pass to the processor.
+            proc_kwargs (dict, optional):
+                Any additional keyword arguments to pass to the processor.
+            add_props (list, optional):
+                List of data set properties to send to the processor. If `None`, all
+                properties will be sent.
+            as_rdkit (bool, optional):
+                Whether to convert the molecules to RDKit
+                molecules before applying the processor.
+            chunk_size (int, optional):
+                Size of chunks to use per job in parallel.
+                If not specified, `self.chunkSize` is used.
+            n_jobs (int, optional):
+                Number of jobs to use for parallel processing.
+                If not specified, `self.nJobs` is used.
+
+        Returns:
+            Generator:
+                A generator that yields the results of the supplied processor on
+                the chunked molecules from the data set.
+        """
+        chunk_size = chunk_size or self.chunkSize
+        n_jobs = n_jobs or self.nJobs
+        proc_args = proc_args or ()
+        proc_kwargs = proc_kwargs or {}
+        add_props = add_props or self.df.columns.tolist()
+        if add_props is not None and self.smilesCol not in add_props:
+            add_props.append(self.smilesCol)
+            add_props.append(self.idProp)
+        for prop in processor.requiredProps:
+            if prop not in self.df.columns:
+                raise ValueError(
+                    f"Cannot apply function '{processor}' to {self.name} because "
+                    f"it requires the property '{prop}', which is not present in the "
+                    "data set."
+                )
+            if prop not in add_props:
+                add_props.append(prop)
+        if self.nJobs > 1 and processor.supportsParallel:
+            logger.debug(
+                f"Applying processor '{processor}' to '{self.name}' in parallel."
+            )
+            for result in self.apply(
+                self.runMolProcess,
+                func_args=[processor, as_rdkit, self.smilesCol, *proc_args],
+                func_kwargs=proc_kwargs,
+                on_props=add_props,
+                as_df=False,
+                chunk_size=chunk_size,
+                n_jobs=n_jobs,
+            ):
+                yield result
+        else:
+            logger.debug(
+                f"Applying processor '{processor}' to '{self.name}' in serial."
+            )
+            for result in self.iterChunks(
+                include_props=add_props, as_dict=True, chunk_size=len(self)
+            ):
+                yield self.runMolProcess(
+                    result,
+                    processor,
+                    as_rdkit,
+                    self.smilesCol,
+                    *proc_args,
+                    **proc_kwargs,
+                )
+
+    def checkMols(self, throw: bool = True):
+        """
+        Returns a boolean array indicating whether each molecule is valid or not.
+        If `throw` is `True`, an exception is thrown if any molecule is invalid.
+
+        Args:
+            throw (bool): Whether to throw an exception if any molecule is invalid.
+
+        Returns:
+            mask (pd.Series): Boolean series indicating whether each molecule is valid.
+        """
+        mask = pd.Series([False] * len(self), index=self.df.index, dtype=bool)
+        for result in self.processMols(
+            CheckSmilesValid(id_prop=self.idProp), proc_kwargs={"throw": throw}
+        ):
+            mask.loc[result.index] = result.values
+        return mask
+
+    def generateDescriptorDataSetName(self, ds_set: str | DescriptorSet):
+        """Generate a descriptor set name from a descriptor set."""
+        return f"Descriptors_{self.name}_{ds_set}"
+
+    def dropDescriptors(
+        self,
+        descriptors: list[DescriptorSet] | list[str],
+    ):
+        """
+        Drop descriptors from the data frame
+        that were calculated with a specific calculator.
+
+        Args:
+            descriptors (list): list of `DescriptorSet` objects or prefixes of
+                descriptors to drop.
+        """
+        # sanity check
+        assert (
+            len(self.descriptors) != 0
+        ), "Cannot drop descriptors because the data set does not contain any."
+        if len(descriptors) == 0:
+            logger.warning(
+                "No descriptors specified to drop. All descriptors will be retained."
+            )
+            return
+        # convert descriptors to descriptor set names
+        descriptors = [self.generateDescriptorDataSetName(x) for x in descriptors]
+        # drop the descriptors
+        to_remove = []
+        for idx, ds in enumerate(self.descriptors):
+            if ds.name in descriptors:
+                logger.info(f"Removing descriptor set: {ds.name}")
+                to_remove.append(idx)
+        for idx in reversed(to_remove):
+            self.descriptors[idx].clearFiles()
+            self.descriptors.pop(idx)
+
+    def imputeProperties(self, names: list[str], imputer: Callable):
+        """Impute missing property values.
+
+        Args:
+            names (list):
+                List of property names to impute.
+            imputer (Callable):
+                imputer object implementing the `fit_transform`
+                 method from scikit-learn API.
+        """
+        assert hasattr(imputer, "fit_transform"), (
+            "Imputer object must implement the `fit_transform` "
+            "method from scikit-learn API."
+        )
+        assert all(
+            name in self.df.columns for name in names
+        ), "Not all target properties in dataframe columns."
+        names_old = [f"{name}_before_impute" for name in names]
+        self.df[names_old] = self.df[names]
+        self.df[names] = imputer.fit_transform(self.df[names])
+        logger.debug(f"Imputed missing values for properties: {names}")
+        logger.debug(f"Old values saved in: {names_old}")
+
+    def dropEmptySmiles(self):
+        """Drop rows with empty SMILES from the data set."""
+        self.df.dropna(subset=[self.smilesCol], inplace=True)
+
+    def dropEmptyProperties(self, names: list[str]):
+        """Drop rows with empty target property value from the data set."""
+        self.df.dropna(subset=names, how="all", inplace=True)
+
+    def attachDescriptors(
+        self,
+        calculator: DescriptorSet,
+        descriptors: pd.DataFrame,
+        index_cols: list,
+    ):
+        """Attach descriptors to the data frame.
+
+        Args:
+            calculator (DescriptorsCalculator): DescriptorsCalculator object to use for
+                descriptor calculation.
+            descriptors (pd.DataFrame): DataFrame containing the descriptors to attach.
+            index_cols (list): List of column names to use as index.
+        """
+        self.descriptors.append(
+            DescriptorTable(
+                calculator,
+                self.generateDescriptorDataSetName(calculator),
+                descriptors,
+                store_dir=self.storeDir,
+                n_jobs=self.nJobs,
+                overwrite=True,
+                key_cols=index_cols,
+                chunk_size=self.chunkSize,
+                random_state=self.randomState,
+                store_format=self.storeFormat,
+            )
+        )
+
+    def addDescriptors(
+        self,
+        descriptors: list[DescriptorSet],
+        recalculate: bool = False,
+        fail_on_invalid: bool = True,
+        *args,
+        **kwargs,
+    ):
+        """Add descriptors to the data frame with the given descriptor calculators.
+
+        Args:
+            descriptors (list[DescriptorSet]):
+                List of `DescriptorSet` objects to use for descriptor
+                calculation.
+            recalculate (bool):
+                Whether to recalculate descriptors even if they are
+                already present in the data frame. If `False`, existing descriptors are
+                kept and no calculation takes place.
+            fail_on_invalid (bool):
+                Whether to throw an exception if any molecule
+                is invalid.
+            *args:
+                Additional positional arguments to pass to each descriptor set.
+            **kwargs:
+                Additional keyword arguments to pass to each descriptor set.
+        """
+        if recalculate and self.hasDescriptors():
+            self.dropDescriptors(descriptors)
+        to_calculate = []
+        for desc_set, exists in zip(descriptors, self.hasDescriptors(descriptors)):
+            if exists:
+                logger.warning(
+                    f"Molecular descriptors already exist in {self.name}. "
+                    "Calculation will be skipped. "
+                    "Use `recalculate=True` to overwrite them."
+                )
+            else:
+                to_calculate.append(desc_set)
+        # check for invalid molecules if required
+        if fail_on_invalid:
+            try:
+                self.checkMols(throw=True)
+            except Exception as exp:
+                logger.error(
+                    f"Cannot add descriptors to {self.name} because it contains one or "
+                    "more invalid molecules. Remove the invalid molecules from your "
+                    "data or try to standardize the data set first with "
+                    "'standardizeSmiles()'. You can also pass 'fail_on_invalid=False' "
+                    "to remove this exception, but the calculation might not be "
+                    "successful or correct. See the following list of invalid molecule "
+                    "SMILES for more information:"
+                )
+                logger.error(
+                    self.df[~self.checkMols(throw=False)][self.smilesCol].to_numpy()
+                )
+                raise exp
+        # get the data frame with the descriptors
+        # and attach it to this table as descriptors
+        for calculator in to_calculate:
+            df_descriptors = []
+            for result in self.processMols(
+                calculator, proc_args=args, proc_kwargs=kwargs
+            ):
+                df_descriptors.append(result)
+            df_descriptors = pd.concat(df_descriptors, axis=0)
+            df_descriptors[self.indexCols] = None
+            df_descriptors.loc[self.df.index, self.indexCols] = self.df[self.indexCols]
+            self.attachDescriptors(calculator, df_descriptors, self.indexCols)
+
+    def getDescriptors(self):
+        """Get the calculated descriptors as a pandas data frame.
+
+        Returns:
+            pd.DataFrame: Data frame containing only descriptors.
+        """
+        join_cols = set()
+        for descriptors in self.descriptors:
+            join_cols.update(set(descriptors.indexCols))
+        join_cols = list(join_cols)
+        ret = self.df[join_cols].copy()
+        ret.reset_index(drop=True, inplace=True)
+        for descriptors in self.descriptors:
+            df_descriptors = descriptors.getDescriptors()
+            ret = ret.join(df_descriptors, on=descriptors.indexCols, how="left")
+        ret.set_index(self.df.index, inplace=True)
+        ret.drop(columns=join_cols, inplace=True)
+        return ret
+
+    def getDescriptorNames(self):
+        """Get the names of the descriptors present for  molecules  in  this data  set.
+
+        Returns:
+            list: list of descriptor names.
+        """
+        names = []
+        for ds in self.descriptors:
+            names.extend(ds.getDescriptorNames())
+        return names
+
+    def hasDescriptors(
+        self, descriptors: list[DescriptorSet | str] | None = None
+    ) -> bool | list[bool]:
+        """Check whether the data frame contains given descriptors.
+
+        Args:
+            descriptors (list): list of `DescriptorSet` objects or prefixes of
+                descriptors to check for. If `None`,
+                all descriptors are checked for and
+                a single boolean is returned if any descriptors are found.
+
+        Returns:
+            list: list of booleans indicating whether each descriptor is present or not.
+        """
+        if not descriptors:
+            return len(self.getDescriptorNames()) > 0
+        else:
+            descriptors = [self.generateDescriptorDataSetName(x) for x in descriptors]
+            descriptors_in = [x.name for x in self.descriptors]
+            ret = []
+            for name in descriptors:
+                if name in descriptors_in:
+                    ret.append(True)
+                else:
+                    ret.append(False)
+            return ret
+
+    @property
+    def smiles(self) -> Generator[str, None, None]:
+        """Get the SMILES strings of the molecules in the data frame.
+
+        Returns:
+            Generator[str, None, None]: Generator of SMILES strings.
+        """
+        return iter(self.df[self.smilesCol].values)
+
+    def getProperties(self):
+        """Get names of all properties/variables saved in the data frame (all columns).
+
+        Returns:
+            list: list of property names.
+        """
+        return self.df.columns.tolist()
+
+    def hasProperty(self, name):
+        """Check whether a property is present in the data frame.
+
+        Args:
+            name (str): Name of the property.
+
+        Returns:
+            bool: Whether the property is present.
+        """
+        return name in self.df.columns
+
+    def addProperty(self, name: str, data: list):
+        """Add a property to the data frame.
+
+        Args:
+            name (str): Name of the property.
+            data (list): list of property values.
+        """
+        if isinstance(data, pd.Series):
+            if not np.array_equal(data.index.txt, self.df.index.txt):
+                logger.info(
+                    f"Adding property '{name}' to data set might be introducing 'nan' "
+                    "values due to index with pandas series. Make sure the index of "
+                    "the data frame and the series match or convert series to list."
+                )
+        self.df[name] = data
+
+    def removeProperty(self, name):
+        """Remove a property from the data frame.
+
+        Args:
+            name (str): Name of the property to delete.
+        """
+        del self.df[name]
+
+    def addScaffolds(
+        self,
+        scaffolds: list[Scaffold],
+        add_rdkit_scaffold: bool = False,
+        recalculate: bool = False,
+    ):
+        """Add scaffolds to the data frame.
+
+        A new column is created that contains the SMILES of the corresponding scaffold.
+        If `add_rdkit_scaffold` is set to `True`, a new column is created that contains
+        the RDKit scaffold of the corresponding molecule.
+
+        Args:
+            scaffolds (list): list of `Scaffold` calculators.
+            add_rdkit_scaffold (bool): Whether to add the RDKit scaffold of the molecule
+                as a new column.
+            recalculate (bool): Whether to recalculate scaffolds even if they are
+                already present in the data frame.
+        """
+        for scaffold in scaffolds:
+            if not recalculate and f"Scaffold_{scaffold}" in self.df.columns:
+                continue
+            for scaffolds in self.processMols(scaffold):
+                self.df.loc[scaffolds.index, f"Scaffold_{scaffold}"] = scaffolds.values
+            if add_rdkit_scaffold:
+                PandasTools.AddMoleculeColumnToFrame(
+                    self.df,
+                    smilesCol=f"Scaffold_{scaffold}",
+                    molCol=f"Scaffold_{scaffold}_RDMol",
+                )
+
+    def getScaffoldNames(
+        self, scaffolds: list[Scaffold] | None = None, include_mols: bool = False
+    ):
+        """Get the names of the scaffolds in the data frame.
+
+        Args:
+            include_mols (bool): Whether to include the RDKit scaffold columns as well.
+
+
+        Returns:
+            list: List of scaffold names.
+        """
+        all_names = [
+            col
+            for col in self.df.columns
+            if col.startswith("Scaffold_")
+            and (include_mols or not col.endswith("_RDMol"))
+        ]
+        if scaffolds:
+            wanted = [str(x) for x in scaffolds]
+            return [x for x in all_names if x.split("_", 1)[1] in wanted]
+        return all_names
+
+    def getScaffolds(
+        self, scaffolds: list[Scaffold] | None = None, include_mols: bool = False
+    ):
+        """Get the subset of the data frame that contains only scaffolds.
+
+        Args:
+            include_mols (bool): Whether to include the RDKit scaffold columns as well.
+
+        Returns:
+            pd.DataFrame: Data frame containing only scaffolds.
+        """
+        names = self.getScaffoldNames(scaffolds, include_mols=include_mols)
+        return self.df[names]
+
+    @property
+    def hasScaffolds(self):
+        """Check whether the data frame contains scaffolds.
+
+        Returns:
+            bool: Whether the data frame contains scaffolds.
+        """
+        return len(self.getScaffoldNames()) > 0
+
+    def createScaffoldGroups(self, mols_per_group: int = 10):
+        """Create scaffold groups.
+
+        A scaffold group is a list of molecules that share the same scaffold. New
+        columns are created that contain the scaffold group ID and the scaffold group
+        size.
+
+        Args:
+            mols_per_group (int): Number of molecules per scaffold group.
+        """
+        scaffolds = self.getScaffolds(include_mols=False)
+        for scaffold in scaffolds.columns:
+            counts = pd.value_counts(self.df[scaffold])
+            mask = counts.lt(mols_per_group)
+            name = f"ScaffoldGroup_{scaffold}_{mols_per_group}"
+            if name not in self.df.columns:
+                self.df[name] = np.where(
+                    self.df[scaffold].isin(counts[mask].index),
+                    "Other",
+                    self.df[scaffold],
+                )
+
+    def getScaffoldGroups(self, scaffold_name: str, mol_per_group: int = 10):
+        """Get the scaffold groups for a given combination of scaffold and number of
+        molecules per scaffold group.
+
+        Args:
+            scaffold_name (str): Name of the scaffold.
+            mol_per_group (int): Number of molecules per scaffold group.
+
+        Returns:
+            list: list of scaffold groups.
+        """
+        return self.df[
+            self.df.columns[
+                self.df.columns.str.startswith(
+                    f"ScaffoldGroup_{scaffold_name}_{mol_per_group}"
+                )
+            ][0]
+        ]
+
+    @property
+    def hasScaffoldGroups(self):
+        """Check whether the data frame contains scaffold groups.
+
+        Returns:
+            bool: Whether the data frame contains scaffold groups.
+        """
+        return (
+            len([col for col in self.df.columns if col.startswith("ScaffoldGroup_")])
+            > 0
+        )
+
+    def standardizeSmiles(self, smiles_standardizer, drop_invalid=True):
+        """Apply smiles_standardizer to the compounds in parallel
+
+        Args:
+            smiles_standardizer (): either `None` to skip the
+                standardization, `chembl`, `old`, or a partial function that reads
+                and standardizes smiles.
+            drop_invalid (bool): whether to drop invalid SMILES from the data set.
+                Defaults to `True`. If `False`, invalid SMILES will be retained in
+                their original form.
+
+        Raises:
+            ValueError: when smiles_standardizer is not a callable or one of the
+                predefined strings.
+        """
+        std_jobs = self.nJobs
+        if smiles_standardizer is None:
+            return
+        if callable(smiles_standardizer):
+            try:  # Prevents weird error if the user inputs a lambda function
+                pickle.dumps(smiles_standardizer)
+            except pickle.PicklingError:
+                logger.warning("Standardizer is not pickleable. Will set n_jobs to 1")
+                std_jobs = 1
+            std_func = smiles_standardizer
+        elif smiles_standardizer.lower() == "chembl":
+            std_func = chembl_smi_standardizer
+        elif smiles_standardizer.lower() == "old":
+            std_func = old_standardize_sanitize
+        else:
+            raise ValueError("Standardizer must be either 'chembl', or a callable")
+        if std_jobs == 1:
+            std_smi = [std_func(smi) for smi in self.df[self.smilesCol].values]
+        else:
+            with Pool(std_jobs) as pool:
+                std_smi = pool.map(std_func, self.df[self.smilesCol].values)
+        self.df[self.smilesCol] = std_smi
+        if drop_invalid:
+            self.dropInvalids()
+
+    def dropInvalids(self):
+        """
+        Drops invalid molecules from the data set.
+
+        Returns:
+            mask (pd.Series): Boolean mask of invalid molecules in the original
+                data set.
+        """
+        invalid_mask = self.checkMols(throw=False)
+        self.df.drop(self.df.index[~invalid_mask], inplace=True)
+        invalids = (~invalid_mask).sum()
+        if invalids > 0:
+            logger.warning(f"Dropped {invalids} invalid molecules from the data set.")
+        return ~invalid_mask
diff --git a/qsprpred/data/tables/pandas.py b/qsprpred/data/tables/pandas.py
new file mode 100644
index 00000000..0e6721c4
--- /dev/null
+++ b/qsprpred/data/tables/pandas.py
@@ -0,0 +1,551 @@
+import json
+import os
+import shutil
+from typing import ClassVar, Callable, Optional, Generator, Any
+
+import numpy as np
+import pandas as pd
+
+from .base import DataTable
+from ...logs import logger
+from ...utils.parallel import batched_generator, parallel_jit_generator
+from ...utils.serialization import JSONSerializable
+from ...utils.stringops import generate_padded_index
+
+
+class PandasDataTable(DataTable, JSONSerializable):
+    """A Pandas DataFrame wrapper class to enable data processing functions on
+    QSPRpred data.
+
+    Attributes:
+        name (str):
+            Name of the data set. You can use this name to load the dataset
+            from disk anytime and create a new instance.
+        df (pd.DataFrame):
+            Pandas dataframe containing the data. You can modify this one directly,
+            but note that removing rows, adding rows, or changing the index or other
+            automatic properties of the data frame might break the data set. In that
+            case, it is recommended to recreate the data set from scratch.
+        indexCols (List):
+            List of columns to use as index. If `None`, the index
+            will be a custom generated ID. Note that if you specify multiple columns
+            their values will be joined with a '~' character rather than using the
+            default pandas multi-index.
+        nJobs (int):
+            Number of jobs to use for parallel processing. If set to `None` or `0`,
+            all available cores will be set.
+        chunkSize (int):
+            Size of chunks to use per job in parallel processing. This is automatically
+            set to the number of rows in the data frame divided by `nJobs`. However,
+            you can also set it manually if you want to use a different chunk size.
+            Set to `None` to again use the default value determined by `nJobs`.
+        randomState (int):
+            Random state to use for all random operations.
+        idProp (str):
+            Column name to use for automatically generated IDs. Defaults to 'QSPRID'.
+            If `indexCols` is set, this will be the names of the columns joined by '~'.
+        storeFormat (str):
+            Format to use for storing the data frame. Currently only
+            'pkl' and 'csv' are supported. Defaults to 'pkl' because it is faster.
+            However, 'csv' is more portable and can be opened in other programs.
+        parallelGenerator (Callable):
+            A parallel generator function to use for parallel processing.
+            Defaults to `qsprpred.utils.parallel.parallel_jit_generator`.
+            You can replace this with your own parallel generator function if you
+            want to use a different parallelization strategy (i.e. utilize
+            remote servers instead of local processes).
+    """
+
+    _notJSON: ClassVar = [*JSONSerializable._notJSON, "df"]
+
+    def __init__(
+        self,
+        name: str,
+        df: Optional[pd.DataFrame] = None,
+        store_dir: str = ".",
+        overwrite: bool = False,
+        index_cols: Optional[list[str]] = None,
+        n_jobs: int = 1,
+        chunk_size: int | None = None,
+        autoindex_name: str = "QSPRID",
+        random_state: int | None = None,
+        store_format: str = "pkl",
+    ):
+        """Initialize a `PandasDataTable` object.
+        Args
+            name (str):
+                Name of the data set. You can use this name to load the dataset
+                from disk anytime and create a new instance.
+            df (pd.DataFrame):
+                Pandas dataframe containing the data. If you provide a
+                dataframe for a dataset that already exists on disk, the dataframe from
+                disk will override the supplied data frame. Set 'overwrite' to `True` to
+                override the data frame on disk.
+            store_dir (str):
+                Directory to store the dataset files. Defaults to the
+                current directory. If it already contains files with the same name,
+                the existing data will be loaded.
+            overwrite (bool):
+                Overwrite existing dataset.
+            index_cols (List):
+                List of columns to use as index. If None, the index
+                will be a custom generated ID.
+            n_jobs (int):
+                Number of jobs to use for parallel processing. If <= 0,
+                all available cores will be used.
+            chunk_size (int):
+                Size of chunks to use per job in parallel processing. If `None`, the
+                chunk size will be set to the number of rows in the data frame divided
+                by `nJobs`.
+            autoindex_name (str):
+                Column name to use for automatically generated IDs.
+            random_state (int):
+                Random state to use for all random operations
+                for reproducibility. If not specified, the state is generated randomly.
+                The state is saved upon `save` so if you want to change the state later,
+                call the `setRandomState` method after loading.
+            store_format (str):
+                Format to use for storing the data frame.
+                Currently only 'pkl' and 'csv' are supported.
+        """
+        self.idProp = autoindex_name
+        self.storeFormat = store_format
+        self.randomState = None
+        self.setRandomState(
+            random_state or int(np.random.randint(0, 2**32 - 1, dtype=np.int64))
+        )
+        self.name = name
+        self.indexCols = index_cols
+        # paths
+        self._storeDir = store_dir.rstrip("/")
+        # data frame initialization
+        self.df = None
+        if df is not None:
+            if self._isInStore("df") and not overwrite:
+                logger.warning(
+                    "Existing data set found, but also found a data frame in store. "
+                    "Refusing to overwrite data. If you want to overwrite data in "
+                    "store, set overwrite=True.",
+                    stacklevel=2,
+                )
+                self.reload()
+            else:
+                self.clearFiles()
+                self.df = df
+                if index_cols is not None:
+                    self.setIndex(index_cols)
+                else:
+                    self.generateIndex()
+        else:
+            if not self._isInStore("df"):
+                raise ValueError(
+                    f"No data frame found in store for '{self.name}'. Are you sure "
+                    "this is the correct dataset? If you are creating a new data set, "
+                    "make sure to supply a data frame."
+                )
+            self.reload()
+        assert self.df is not None, "Unknown error in data set creation."
+        # parallel settings
+        self.nJobs = n_jobs
+        self.chunkSize = chunk_size
+        self.parallelGenerator = parallel_jit_generator
+
+    def __len__(self) -> int:
+        """Get the number of rows in the data frame."""
+        return len(self.df)
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        os.makedirs(self.storeDir, exist_ok=True)
+        if self.storeFormat == "csv":
+            self.df.to_csv(self.storePath, index=False)
+        else:
+            self.df.to_pickle(self.storePath)
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.reload()
+
+    @property
+    def chunkSize(self) -> int:
+        return self._chunkSize
+
+    @chunkSize.setter
+    def chunkSize(self, value: int | None):
+        self._chunkSize = value if value is not None else int(len(self) / self.nJobs)
+        if self._chunkSize < 1:
+            self._chunkSize = len(self)
+        if self._chunkSize > len(self):
+            self._chunkSize = len(self)
+
+    @property
+    def nJobs(self):
+        return self._nJobs
+
+    @nJobs.setter
+    def nJobs(self, value: int | None):
+        self._nJobs = value if value is not None and value > 0 else os.cpu_count()
+        self.chunkSize = None
+
+    @property
+    def baseDir(self) -> str:
+        """The base directory of the data set folder."""
+        return self._storeDir
+
+    @property
+    def storeDir(self):
+        """The data set folder containing the data set files after saving."""
+        return f"{self.baseDir}/{self.name}"
+
+    @property
+    def storePath(self):
+        """The path to the main data set file."""
+        if self.storeFormat == "csv":
+            return f"{self.storePrefix}_df.csv"
+        else:
+            return f"{self.storePrefix}_df.pkl"
+
+    @property
+    def storePrefix(self):
+        """The prefix of the data set files."""
+        return f"{self.storeDir}/{self.name}"
+
+    @property
+    def metaFile(self):
+        """The path to the meta file of this data set."""
+        return f"{self.storePrefix}_meta.json"
+
+    def setIndex(self, cols: list[str]):
+        """Create and index column from several columns of the data set.
+        This also resets the `idProp` attribute to be the name of the index columns
+        joined by a '~' character. The values of the columns are also joined in the
+        same way to create the index. Thus, make sure the values of the columns are
+        unique together and can be joined to a string.
+
+        Args:
+            cols (list[str]): list of columns to use as index.
+        """
+        self.indexCols = cols
+        self.idProp = "~".join(self.indexCols)
+        self.df[self.idProp] = self.df[self.indexCols].apply(
+            lambda x: "~".join(map(str, x.tolist())), axis=1
+        )
+        self.df.set_index(self.idProp, inplace=True, verify_integrity=True, drop=False)
+        self.df.drop(
+            inplace=True,
+            columns=[c for c in self.df.columns if c.startswith("Unnamed")],
+        )
+        self.df.index.name = self.idProp
+
+    def generateIndex(self, name: str | None = None, prefix: str | None = None):
+        """Generate a custom index for the data frame automatically.
+
+        Args:
+            name (str | None): name of the resulting index column.
+            prefix (str | None): prefix to use for the index column values.
+        """
+        name = name if name is not None else self.idProp
+        prefix = prefix if prefix is not None else self.name
+        self.df[name] = generate_padded_index(self.df.index, prefix=prefix)
+        self.setIndex([name])
+
+    def _isInStore(self, name):
+        """Check if a pickled file with the given suffix exists.
+
+        Args:
+            name (str): Suffix of the file to check.
+
+        Returns:
+            bool: `True` if the file exists, `False` otherwise.
+        """
+        return os.path.exists(self.storePath) and self.storePath.endswith(
+            f"_{name}.{self.storeFormat}"
+        )
+
+    def getProperty(self, name: str) -> pd.Series:
+        """Get property values from the data set.
+
+        Args:
+            name (str): Name of the property to get.
+
+        Returns:
+            pd.Series: List of values for the property.
+        """
+        return self.df[name]
+
+    def getProperties(self):
+        """Get the properties of the data set.
+
+        Returns: list of properties of the data set.
+        """
+        return self.df.columns
+
+    def addProperty(self, name: str, data: list):
+        """Add a property to the data set.
+
+        Args:
+            name (str): Name of the property.
+            data (list): List of values for the property.
+        """
+        if isinstance(data, pd.Series):
+            if not self.df.index.equals(data.index):
+                logger.info(
+                    f"Adding property '{name}' to data set might be introducing 'nan' "
+                    "values due to index with pandas series. Make sure the index of "
+                    "the data frame and the series match or convert series to list."
+                )
+        self.df[name] = data
+
+    def removeProperty(self, name: str):
+        """Remove a property from the data set.
+
+        Args:
+            name (str): Name of the property to remove.
+        """
+        self.df.drop(columns=[name], inplace=True)
+
+    def getSubset(self, prefix: str):
+        """Get a subset of the data set by providing a prefix for the column names or a
+        column name directly.
+
+        Args:
+            prefix (str): Prefix of the column names to select.
+        """
+        if self.df.columns.str.startswith(prefix).any():
+            return self.df[self.df.columns[self.df.columns.str.startswith(prefix)]]
+
+    def iterChunks(
+        self,
+        include_props: list[str] | None = None,
+        as_dict: bool = False,
+        chunk_size: int | None = None,
+    ) -> Generator[pd.DataFrame | dict, None, None]:
+        """Batch a data frame into chunks of the given size.
+
+        Args:
+            include_props (list[str]):
+                list of properties to include, if `None`, all
+                properties are included.
+            as_dict (bool):
+                If `True`, the generator yields dictionaries instead of data frames.
+            chunk_size (int):
+                Size of chunks to use per job in parallel processing.
+                If `None`, `self.chunkSize` is used.
+
+        Returns:
+            Generator[pd.DataFrame, None, None]:
+                Generator that yields batches of the data frame as smaller data frames.
+        """
+        chunk_size = chunk_size if chunk_size is not None else self.chunkSize
+        include_props = include_props or self.df.columns
+        df_batches = batched_generator(
+            self.df[self.idProp] if include_props is not None else self.df.iterrows(),
+            chunk_size,
+        )
+        for ids in df_batches:
+            df_batch = self.df.loc[ids]
+            ret = {}
+            if self.idProp not in include_props:
+                include_props.append(self.idProp)
+            for prop in include_props:
+                ret[prop] = df_batch[prop].tolist()
+            yield ret if as_dict else df_batch
+
+    def apply(
+        self,
+        func: Callable[[dict[str, list[Any]] | pd.DataFrame, ...], Any],
+        func_args: list | None = None,
+        func_kwargs: dict | None = None,
+        on_props: list[str] | None = None,
+        as_df: bool = False,
+        chunk_size: int | None = None,
+        n_jobs: int | None = None,
+    ) -> Generator:
+        """Apply a function to the data frame. The properties of the data set
+        are passed as the first positional argument to the function. This
+        will be a dictionary of the form `{'prop1': [...], 'prop2': [...], ...}`.
+        If `as_df` is `True`, the properties will be passed as a data frame instead.
+
+        Any additional arguments specified in `func_args` and `func_kwargs` will
+        be passed to the function after the properties as positional and keyword
+        arguments, respectively.
+
+        If `on_props` is specified, only the properties
+        in this list will be passed to the function. If `on_props` is `None`,
+        all properties will be passed to the function.
+
+        Args:
+            func (Callable):
+                Function to apply to the data frame.
+            func_args (list):
+                Positional arguments to pass to the function.
+            func_kwargs (dict):
+                Keyword arguments to pass to the function.
+            on_props (list[str]):
+                list of properties to send to the function as arguments
+            as_df (bool):
+                If `True`, the function is applied to chunks represented as data frames.
+            chunk_size (int):
+                Size of chunks to use per job in parallel processing. If `None`,
+                the chunk size will be set to `self.chunkSize`. The chunk size will
+                always be set to the number of rows in the data frame if `n_jobs`
+                or `self.nJobs is 1.
+            n_jobs (int):
+                Number of jobs to use for parallel processing. If `None`,
+                `self.nJobs` is used.
+
+        Returns:
+            Generator:
+                Generator that yields the results of the function applied to each chunk
+                of the data frame as determined by `chunk_size` and `n_jobs`. Each
+                item in the generator will be the result of the function
+                applied to one chunk of the data set.
+        """
+        n_jobs = self.nJobs if n_jobs is None else n_jobs
+        chunk_size = chunk_size if chunk_size is not None else self.chunkSize
+        if n_jobs > 1:
+            logger.debug(
+                f"Applying function '{func!r}' in parallel on {n_jobs} CPUs, "
+                f"using chunk size: {chunk_size}."
+            )
+            for result in self.parallelGenerator(
+                self.iterChunks(
+                    include_props=on_props, as_dict=not as_df, chunk_size=chunk_size
+                ),
+                func,
+                n_jobs,
+                args=func_args,
+                kwargs=func_kwargs,
+            ):
+                logger.debug(f"Result for chunk returned: {result!r}")
+                if not isinstance(result, Exception):
+                    yield result
+                else:
+                    raise result
+        else:
+            logger.debug(f"Applying function '{func!r}' in serial.")
+            for props in self.iterChunks(
+                include_props=on_props, as_dict=not as_df, chunk_size=len(self)
+            ):
+                result = func(props, *func_args, **func_kwargs)
+                logger.debug(f"Result for chunk returned: {result!r}")
+                yield result
+
+    def transform(
+        self, targets: list[str], transformer: Callable, add_as: list[str] | None = None
+    ):
+        """Transform the data frame (or its part) using a list of transformers.
+
+        Each transformer is a function that takes the data frame (or a subset of it as
+        defined by the `targets` argument) and returns a transformed data frame. The
+        transformed data frame can then be added to the original data frame if `add_as`
+        is set to a `list` of new column names. If `add_as` is not `None`, the result of
+        the application of transformers must have the same number of rows as the
+        original data frame.
+
+        Args:
+            targets (list[str]): list of column names to transform.
+            transformer (Callable): Function that transforms the data in target columns
+                to a new representation.
+            add_as (list): If `True`, the transformed data is added to the original data
+                frame and the
+            names in this list are used as column names for the new data.
+        """
+        ret = self.df[targets]
+        ret = transformer(ret)
+        if add_as:
+            self.df[add_as] = ret
+        return ret
+
+    def filter(self, table_filters: list[Callable]):
+        """Filter the data frame using a list of filters.
+
+        Each filter is a function that takes the data frame and returns a
+        a new data frame with the filtered rows. The new data frame is then used as the
+        input for the next filter. The final data frame is saved as the new data frame
+        of the `MoleculeTable`."""
+        df_filtered = None
+        for table_filter in table_filters:
+            if len(self.df) == 0:
+                logger.warning("Dataframe is empty")
+            if table_filter.__class__.__name__ == "CategoryFilter":
+                df_filtered = table_filter(self.df)
+            elif table_filter.__class__.__name__ == "DuplicateFilter":
+                descriptors = self.getDescriptors()
+                if len(descriptors.columns) == 0:
+                    logger.warning(
+                        "Removing duplicates based on descriptors does not \
+                                    work if there are no descriptors"
+                    )
+                else:
+                    df_filtered = table_filter(self.df, descriptors)
+            if df_filtered is not None:
+                self.df = df_filtered.copy()
+
+    def toFile(self, filename: str):
+        """Save the metafile and all associated files to a custom location.
+
+        Args:
+            filename (str): absolute path to the saved metafile.
+        """
+        os.makedirs(self.storeDir, exist_ok=True)
+        o_dict = json.loads(self.toJSON())
+        o_dict["py/state"]["storeDir"] = f"./{self.name}"
+        with open(filename, "w") as fh:
+            json.dump(o_dict, fh, indent=4)
+        return os.path.abspath(filename)
+
+    def save(self):
+        """Save the data frame to disk and all associated files.
+
+        Returns:
+            str: Path to the saved data frame.
+        """
+        return self.toFile(f"{self.storePrefix}_meta.json")
+
+    def clearFiles(self):
+        """Remove all files associated with this data set from disk."""
+        if os.path.exists(self.storeDir):
+            shutil.rmtree(self.storeDir)
+
+    def reload(self):
+        """Reload the data table from disk."""
+        if self.storeFormat == "csv":
+            self.df = pd.read_csv(self.storePath)
+            self.df.set_index(self.indexCols, inplace=True, drop=False)
+        else:
+            self.df = pd.read_pickle(self.storePath)
+        self.indexCols = self.df.index.name.split("~")
+        assert all(col in self.df.columns for col in self.indexCols)
+
+    @classmethod
+    def fromFile(cls, filename: str) -> "PandasDataTable":
+        with open(filename, "r") as f:
+            json_f = f.read()
+        o_dict = json.loads(json_f)
+        o_dict["py/state"]["storeDir"] = os.path.dirname(filename)
+        return cls.fromJSON(json.dumps(o_dict))
+
+    def getDF(self):
+        """Get the data frame this instance manages.
+
+        Returns:
+            pd.DataFrame: The data frame this instance manages.
+        """
+        return self.df
+
+    def shuffle(self, random_state: Optional[int] = None):
+        """Shuffle the internal data frame."""
+        self.df = self.df.sample(
+            frac=1, random_state=random_state if random_state else self.randomState
+        )
+
+    def setRandomState(self, random_state: int):
+        """Set the random state for this instance.
+
+        Args:
+            random_state (int):
+                Random state to use for shuffling and other random operations.
+        """
+        self.randomState = random_state
diff --git a/qsprpred/data/tables/qspr.py b/qsprpred/data/tables/qspr.py
new file mode 100644
index 00000000..f1b82311
--- /dev/null
+++ b/qsprpred/data/tables/qspr.py
@@ -0,0 +1,1195 @@
+import json
+import os
+from copy import deepcopy
+from typing import Callable, ClassVar, Generator, Optional
+
+import numpy as np
+import pandas as pd
+from mlchemad.applicability_domains import (
+    ApplicabilityDomain as MLChemADApplicabilityDomain,
+)
+from sklearn.preprocessing import LabelEncoder
+
+from .mol import MoleculeTable
+from ..descriptors.sets import DescriptorSet
+from ...data.processing.applicability_domain import ApplicabilityDomain, MLChemADWrapper
+from ...data.processing.data_filters import RepeatsFilter
+from ...data.processing.feature_standardizers import (
+    SKLearnStandardizer,
+    apply_feature_standardizer,
+)
+from ...data.sampling.folds import FoldsFromDataSplit
+from ...logs import logger
+from ...tasks import TargetProperty, TargetTasks
+
+
+class QSPRDataset(MoleculeTable):
+    """Prepare dataset for QSPR model training.
+
+    It splits the data in train and test set, as well as creating cross-validation
+    folds. Optionally low quality data is filtered out. For classification the dataset
+    samples are labelled as active/inactive.
+
+    Attributes:
+        targetProperties (str) : property to be predicted with QSPRmodel
+        df (pd.dataframe) : dataset
+        X (np.ndarray/pd.DataFrame) : m x n feature matrix for cross validation, where m
+            is the number of samplesand n is the number of features.
+        y (np.ndarray/pd.DataFrame) : m-d label array for cross validation, where m is
+            the number of samples and equals to row of X.
+        X_ind (np.ndarray/pd.DataFrame) : m x n Feature matrix for independent set,
+            where m is the number of samples and n is the number of features.
+        y_ind (np.ndarray/pd.DataFrame) : m-l label array for independent set, where m
+            is the number of samples and equals to row of X_ind, and l is the number of
+            types.
+        X_ind_outliers (np.ndarray/pd.DataFrame) : m x n Feature matrix for outliers
+            in independent set, where m is the number of samples and n is the number of
+            features.
+        y_ind_outliers (np.ndarray/pd.DataFrame) : m-l label array for outliers in
+            independent set, where m is the number of samples and equals to row of
+            X_ind_outliers, and l is the number of types.
+        featureNames (list of str) : feature names
+        featureStandardizer (SKLearnStandardizer) : feature standardizer
+        applicabilityDomain (ApplicabilityDomain) : applicability domain
+    """
+
+    _notJSON: ClassVar = [*MoleculeTable._notJSON, "X", "X_ind", "y", "y_ind"]
+
+    def __init__(
+        self,
+        name: str,
+        target_props: list[TargetProperty | dict] | None = None,
+        df: Optional[pd.DataFrame] = None,
+        smiles_col: str = "SMILES",
+        add_rdkit: bool = False,
+        store_dir: str = ".",
+        overwrite: bool = False,
+        n_jobs: int | None = 1,
+        chunk_size: int | None = None,
+        drop_invalids: bool = True,
+        drop_empty: bool = True,
+        index_cols: Optional[list[str]] = None,
+        autoindex_name: str = "QSPRID",
+        random_state: int | None = None,
+        store_format: str = "pkl",
+    ):
+        """Construct QSPRdata, also apply transformations of output property if
+                specified.
+
+        Args:
+            name (str):
+                data name, used in saving the data
+            target_props (list[TargetProperty | dict] | None):
+                target properties, names
+                should correspond with target columnname in df. If `None`, target
+                properties will be inferred if this data set has been saved
+                previously. Defaults to `None`.
+            df (pd.DataFrame, optional):
+                input dataframe containing smiles and target
+                property. Defaults to None.
+            smiles_col (str, optional):
+                name of column in df containing SMILES.
+                Defaults to "SMILES".
+            add_rdkit (bool, optional):
+                if true, column with rdkit molecules will be
+                added to df. Defaults to False.
+            store_dir (str, optional):
+                directory for saving the output data.
+                Defaults to '.'.
+            overwrite (bool, optional):
+                if already saved data at output dir if should
+                be overwritten. Defaults to False.
+            n_jobs (int, optional):
+                number of parallel jobs. If <= 0, all available
+                cores will be used. Defaults to 1.
+            chunk_size (int, optional):
+                chunk size for parallel processing.
+                Defaults to 50.
+            drop_invalids (bool, optional):
+                if true, invalid SMILES will be dropped.
+                Defaults to True.
+            drop_empty (bool, optional):
+                if true, rows with empty target property will  be removed.
+            index_cols (list[str], optional):
+                columns to be used as index in the
+                dataframe. Defaults to `None` in which case a custom ID will be
+                generated.
+            autoindex_name (str):
+                Column name to use for automatically generated IDs.
+            random_state (int, optional):
+                random state for splitting the data.
+            store_format (str, optional):
+                format to use for storing the data ('pkl' or 'csv').
+
+        Raises:
+            `ValueError`: Raised if threshold given with non-classification task.
+        """
+        super().__init__(
+            name,
+            df,
+            smiles_col,
+            add_rdkit,
+            store_dir,
+            overwrite,
+            n_jobs,
+            chunk_size,
+            False,
+            index_cols,
+            autoindex_name,
+            random_state,
+            store_format,
+        )
+        # load target properties if not specified and file exists
+        if target_props is None and os.path.exists(self.metaFile):
+            meta = json.load(open(self.metaFile, "r"))
+            target_props = meta["py/state"]["targetProperties"]
+            target_props = [
+                TargetProperty.fromJSON(json.dumps(x)) for x in target_props
+            ]
+        elif target_props is None:
+            raise ValueError(
+                "Target properties must be specified for a new QSPRDataset."
+            )
+        # load names of descriptors to use as training features
+        self.featureNames = self.getFeatureNames()
+        self.featureStandardizer = None
+        self.applicabilityDomain = None
+        # populate feature matrix and target properties
+        self.X = None
+        self.y = None
+        self.X_ind = None
+        self.y_ind = None
+        self.targetProperties = []
+        self.setTargetProperties(target_props, drop_empty)
+        self.chunkSize = chunk_size
+        if drop_invalids:
+            self.dropInvalids()
+            self.chunkSize = chunk_size
+        logger.info(
+            f"Dataset '{self.name}' created for "
+            f"target Properties: '{self.targetProperties}'. "
+            f"Number of samples: {len(self.df)}. "
+            f"Chunk size: {self.chunkSize}. "
+            f"Number of CPUs: {self.nJobs}."
+        )
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        self.restoreTrainingData()
+
+    @staticmethod
+    def fromTableFile(name: str, filename: str, sep: str = "\t", *args, **kwargs):
+        r"""Create QSPRDataset from table file (i.e. CSV or TSV).
+
+        Args:
+            name (str): name of the data set
+            filename (str): path to the table file
+            sep (str, optional): separator in the table file. Defaults to "\t".
+            *args: additional arguments for QSPRDataset constructor
+            **kwargs: additional keyword arguments for QSPRDataset constructor
+        Returns:
+            QSPRDataset: `QSPRDataset` object
+        """
+        return QSPRDataset(
+            name,
+            df=pd.read_table(filename, sep=sep),
+            *args,  # noqa: B026 # FIXME: this is a bug in flake8...
+            **kwargs,
+        )
+
+    @staticmethod
+    def fromSDF(name: str, filename: str, smiles_prop: str, *args, **kwargs):
+        """Create QSPRDataset from SDF file.
+
+        It is currently not implemented for QSPRDataset, but you can convert from
+        'MoleculeTable' with the 'fromMolTable' method.
+
+        Args:
+            name (str): name of the data set
+            filename (str): path to the SDF file
+            smiles_prop (str): name of the property in the SDF file containing SMILES
+            *args: additional arguments for QSPRDataset constructor
+            **kwargs: additional keyword arguments for QSPRDataset constructor
+        """
+        raise NotImplementedError(
+            f"SDF loading not implemented for {QSPRDataset.__name__}, yet. You can "
+            "convert from 'MoleculeTable' with 'fromMolTable'."
+        )
+
+    def resetTargetProperty(self, prop: TargetProperty | str):
+        """Reset target property to its original value.
+
+        Args:
+            prop (TargetProperty | str): target property to reset
+        """
+        if isinstance(prop, str):
+            prop = self.getTargetProperties([prop])[0]
+        if f"{prop.name}_original" in self.df.columns:
+            self.df[prop.name] = self.df[f"{prop.name}_original"]
+        # save original values for next reset
+        self.df[f"{prop.name}_original"] = self.df[prop.name]
+        self.restoreTrainingData()
+
+    def setTargetProperties(
+        self,
+        target_props: list[TargetProperty | dict],
+        drop_empty: bool = True,
+    ):
+        """Set list of target properties and apply transformations if specified.
+
+        Args:
+            target_props (list[TargetProperty]):
+                list of target properties
+            drop_empty (bool, optional):
+                whether to drop rows with empty target property values. Defaults to
+                `True`.
+        """
+        assert isinstance(target_props, list), (
+            "target_props should be a list of TargetProperty objects or dictionaries "
+            "initialize TargetProperties from. Not a %s." % type(target_props)
+        )
+        if isinstance(target_props[0], dict):
+            assert all(isinstance(d, dict) for d in target_props), (
+                "target_props should be a list of TargetProperty objects or "
+                "dictionaries to initialize TargetProperties from, not a mix."
+            )
+            target_props = TargetProperty.fromList(target_props)
+        else:
+            assert all(isinstance(d, TargetProperty) for d in target_props), (
+                "target_props should be a list of TargetProperty objects or "
+                "dictionaries to initialize TargetProperties from, not a mix."
+            )
+        self.targetProperties = []
+        for prop in target_props:
+            self.setTargetProperty(prop, drop_empty)
+
+    @property
+    def hasFeatures(self):
+        """Check whether the currently selected set of features is not empty."""
+        return True if (self.featureNames and len(self.featureNames) > 0) else False
+
+    def getFeatureNames(self) -> list[str]:
+        """Get current feature names for this data set.
+
+        Returns:
+            list[str]: list of feature names
+        """
+        if not self.hasDescriptors:
+            return []
+        features = []
+        for ds in self.descriptors:
+            features.extend(ds.getDescriptorNames(active_only=True))
+        return features
+
+    def restoreTrainingData(self):
+        """Restore training data from the data frame.
+
+        If the data frame contains a column 'Split_IsTrain',
+        the data will be split into training and independent sets. Otherwise, the
+        independent set will be empty. If descriptors are available, the resulting
+        training matrices will be featurized.
+        """
+        logger.debug("Restoring training data...")
+        # split data into training and independent sets if saved previously
+        if "Split_IsTrain" in self.df.columns:
+            self.y = self.df.query("Split_IsTrain")[self.targetPropertyNames]
+            self.y_ind = self.df.loc[
+                ~self.df.index.isin(self.y.index), self.targetPropertyNames
+            ]
+        else:
+            self.y = self.df[self.targetPropertyNames]
+            self.y_ind = self.df.loc[
+                ~self.df.index.isin(self.y.index), self.targetPropertyNames
+            ]
+        self.X = self.y.drop(self.y.columns, axis=1)
+        self.X_ind = self.y_ind.drop(self.y_ind.columns, axis=1)
+
+        self.featurizeSplits(shuffle=False)
+        logger.debug("Training data restored.")
+        logger.debug(f"Training features shape: {self.X.shape}")
+        logger.debug(f"Test set features shape: {self.X_ind.shape}")
+        logger.debug(f"Training labels shape: {self.y.shape}")
+        logger.debug(f"Test set labels shape: {self.y_ind.shape}")
+        logger.debug(f"Training features indices: {self.X.index}")
+        logger.debug(f"Test set features indices: {self.X_ind.index}")
+        logger.debug(f"Training labels indices: {self.y.index}")
+        logger.debug(f"Test set labels indices: {self.y_ind.index}")
+
+    def makeRegression(self, target_property: str):
+        """Switch to regression task using the given target property.
+
+        Args:
+            target_property (str): name of the target property to use for regression
+        """
+        target_property = self.getTargetProperties([target_property])[0]
+        self.resetTargetProperty(target_property)
+        target_property.task = TargetTasks.REGRESSION
+        if hasattr(target_property, "th"):
+            del target_property.th
+        self.restoreTrainingData()
+        logger.info("Target property converted to regression.")
+
+    def makeClassification(
+        self,
+        target_property: str,
+        th: Optional[list[float]] = None,
+    ):
+        """Switch to classification task using the given threshold values.
+
+        Args:
+            target_property (str):
+                Target property to use for classification
+                or name of the target property.
+            th (list[float], optional):
+                list of threshold values. If not provided, the
+                values will be inferred from th specified in TargetProperty.
+                Defaults to None.
+        """
+        prop_name = target_property
+        target_property = self.getTargetProperties([target_property])[0]
+        self.resetTargetProperty(target_property)
+        # perform some checks
+        if th is not None:
+            assert (
+                isinstance(th, list) or th == "precomputed"
+            ), "Threshold values should be provided as a list of floats."
+            if isinstance(th, list):
+                assert (
+                    len(th) > 0
+                ), "Threshold values should be provided as a list of floats."
+        if isinstance(target_property, str):
+            target_property = self.getTargetProperties([target_property])[0]
+        # check if the column only has nan values
+        if self.df[target_property.name].isna().all():
+            logger.debug(
+                f"Target property {target_property.name}"
+                " is all nan, assuming predictor."
+            )
+            return target_property
+        # if no threshold values provided, use the ones specified in the TargetProperty
+        if th is None:
+            assert hasattr(target_property, "th"), (
+                "Target property does not have a threshold attribute and "
+                "no threshold specified in function args."
+            )
+            th = target_property.th
+        if th == "precomputed":
+            assert all(
+                value is None
+                or (type(value) in (int, bool))
+                or (isinstance(value, float) and value.is_integer())
+                for value in self.df[prop_name]
+            ), "Precomputed classification target must be integers or booleans."
+            n_classes = len(self.df[prop_name].dropna().unique())
+            target_property.task = (
+                TargetTasks.MULTICLASS
+                if n_classes > 2  # noqa: PLR2004
+                else TargetTasks.SINGLECLASS
+            )
+            target_property.th = th
+            target_property.nClasses = n_classes
+        else:
+            assert len(th) > 0, "Threshold list must contain at least one value."
+            if len(th) > 1:
+                assert len(th) > 3, (  # noqa: PLR2004
+                    "For multi-class classification, "
+                    "set more than 3 values as threshold."
+                )
+                assert max(self.df[prop_name]) <= max(th), (
+                    "Make sure final threshold value is not smaller "
+                    "than largest value of property"
+                )
+                assert min(self.df[prop_name]) >= min(th), (
+                    "Make sure first threshold value is not larger "
+                    "than smallest value of property"
+                )
+                self.df[f"{prop_name}_intervals"] = pd.cut(
+                    self.df[prop_name], bins=th, include_lowest=True
+                ).astype(str)
+                self.df[prop_name] = LabelEncoder().fit_transform(
+                    self.df[f"{prop_name}_intervals"]
+                )
+            else:
+                self.df[prop_name] = self.df[prop_name] > th[0]
+            target_property.task = (
+                TargetTasks.SINGLECLASS if len(th) == 1 else TargetTasks.MULTICLASS
+            )
+            target_property.th = th
+        self.restoreTrainingData()
+        logger.info(f"Target property '{prop_name}' converted to classification.")
+
+    def searchWithIndex(
+        self, index: pd.Index, name: str | None = None
+    ) -> "MoleculeTable":
+        ret = super().searchWithIndex(index, name)
+        ret = QSPRDataset.fromMolTable(ret, self.targetProperties, name=ret.name)
+        ret.featureStandardizer = self.featureStandardizer
+        ret.featurize()
+        return ret
+
+    @staticmethod
+    def fromMolTable(
+        mol_table: MoleculeTable,
+        target_props: list[TargetProperty | dict],
+        name=None,
+        **kwargs,
+    ) -> "QSPRDataset":
+        """Create QSPRDataset from a MoleculeTable.
+
+        Args:
+            mol_table (MoleculeTable): MoleculeTable to use as the data source
+            target_props (list): list of target properties to use
+            name (str, optional): name of the data set. Defaults to None.
+            kwargs: additional keyword arguments to pass to the constructor
+
+        Returns:
+            QSPRDataset: created data set
+        """
+        name = mol_table.name if name is None else name
+        kwargs["store_dir"] = (
+            mol_table.baseDir if "store_dir" not in kwargs else kwargs["store_dir"]
+        )
+        kwargs["random_state"] = (
+            mol_table.randomState
+            if "random_state" not in kwargs
+            else kwargs["random_state"]
+        )
+        kwargs["n_jobs"] = (
+            mol_table.nJobs if "n_jobs" not in kwargs else kwargs["n_jobs"]
+        )
+        kwargs["chunk_size"] = (
+            mol_table.chunkSize if "chunk_size" not in kwargs else kwargs["chunk_size"]
+        )
+        kwargs["smiles_col"] = (
+            mol_table.smilesCol if "smiles_col" not in kwargs else kwargs["smiles_col"]
+        )
+        kwargs["index_cols"] = (
+            mol_table.indexCols if "index_cols" not in kwargs else kwargs["index_cols"]
+        )
+        kwargs["store_format"] = (
+            mol_table.storeFormat
+            if "store_format" not in kwargs
+            else kwargs["store_format"]
+        )
+        ds = QSPRDataset(
+            name,
+            target_props,
+            mol_table.getDF(),
+            **kwargs,
+        )
+        ds.descriptors = mol_table.descriptors
+        return ds
+
+    def filter(self, table_filters: list[Callable]):
+        """Filter the data set using the given filters.
+
+        Args:
+            table_filters (list[Callable]): list of filters to apply
+        """
+        super().filter(table_filters)
+        self.restoreTrainingData()
+        self.featurize()
+
+    def addDescriptors(
+        self,
+        descriptors: list[DescriptorSet],
+        recalculate: bool = False,
+        featurize: bool = True,
+        *args,
+        **kwargs,
+    ):
+        """Add descriptors to the data set.
+
+        If descriptors are already present, they will be recalculated if `recalculate`
+        is `True`. Featurization will be performed after adding descriptors if
+        `featurize` is `True`. Featurization converts current data matrices to pure
+        numeric matrices of selected descriptors (features).
+
+        Args:
+            descriptors (list[DescriptorSet]): list of descriptor sets to add
+            recalculate (bool, optional): whether to recalculate descriptors if they are
+                already present. Defaults to `False`.
+            featurize (bool, optional): whether to featurize the data set splits after
+                adding descriptors. Defaults to `True`.
+            *args: additional positional arguments to pass to each descriptor set
+            **kwargs: additional keyword arguments to pass to each descriptor set
+        """
+        super().addDescriptors(descriptors, recalculate, *args, **kwargs)
+        self.featurize(update_splits=featurize)
+
+    def featurize(self, update_splits=True):
+        self.featureNames = self.getFeatureNames()
+        if update_splits:
+            self.featurizeSplits(shuffle=False)
+
+    def saveSplit(self):
+        """Save split data to the managed data frame."""
+        if self.X is not None:
+            self.df["Split_IsTrain"] = self.df.index.isin(self.X.index)
+        else:
+            logger.debug("No split data available. Skipping split data save.")
+
+    def save(self, save_split: bool = True):
+        """Save the data set to file and serialize metadata.
+
+        Args:
+            save_split (bool): whether to save split data to the managed data frame.
+        """
+        if save_split:
+            self.saveSplit()
+        elif "Split_IsTrain" in self.df.columns:
+            self.df.drop("Split_IsOutlier", axis=1, inplace=True)
+        super().save()
+
+    def split(self, split: "DataSplit", featurize: bool = False):
+        """Split dataset into train and test set.
+
+        You can either split tha data frame itself or you can set `featurize` to `True`
+        if you want to use feature matrices instead of the raw data frame.
+
+        Args:
+            split (DataSplit):
+                split instance orchestrating the split
+            featurize (bool):
+                whether to featurize the data set splits after splitting.
+                Defaults to `False`.
+        """
+        if (
+            hasattr(split, "hasDataSet")
+            and hasattr(split, "setDataSet")
+            and not split.hasDataSet
+        ):
+            split.setDataSet(self)
+        if hasattr(split, "setSeed") and hasattr(split, "getSeed"):
+            if split.getSeed() is None:
+                split.setSeed(self.randomState)
+        # split the data into train and test
+        folds = FoldsFromDataSplit(split)
+        self.X, self.X_ind, self.y, self.y_ind, _, _ = next(
+            folds.iterFolds(self, concat=True)
+        )
+        # select target properties
+        logger.info("Total: train: %s test: %s" % (len(self.y), len(self.y_ind)))
+        logger.debug(f"First index train: {self.y.index[0]}")
+        logger.debug(f"First index test: {self.y_ind.index[0]}")
+        logger.debug(f"Last index train: {self.y.index[-1]}")
+        logger.debug(f"Last index test: {self.y_ind.index[-1]}")
+        for prop in self.targetProperties:
+            logger.info("Target property: %s" % prop.name)
+            if prop.task == TargetTasks.SINGLECLASS:
+                logger.info(
+                    "    In train: active: %s not active: %s"
+                    % (
+                        sum(self.y[prop.name]),
+                        len(self.y[prop.name]) - sum(self.y[prop.name]),
+                    )
+                )
+                logger.info(
+                    "    In test:  active: %s not active: %s\n"
+                    % (
+                        sum(self.y_ind[prop.name]),
+                        len(self.y_ind[prop.name]) - sum(self.y_ind[prop.name]),
+                    )
+                )
+            if prop.task == TargetTasks.MULTICLASS:
+                logger.info("train: %s" % self.y[prop.name].value_counts())
+                logger.info("test: %s\n" % self.y_ind[prop.name].value_counts())
+                try:
+                    assert np.all([x > 0 for x in self.y[prop.name].value_counts()])
+                    assert np.all([x > 0 for x in self.y_ind[prop.name].value_counts()])
+                except AssertionError as err:
+                    logger.exception(
+                        "All bins in multi-class classification "
+                        "should contain at least one sample"
+                    )
+                    raise err
+
+                if self.y[prop.name].dtype.name == "category":
+                    self.y[prop.name] = self.y[prop.name].cat.codes
+                    self.y_ind[prop.name] = self.y_ind[prop.name].cat.codes
+        if "Split_IsOutlier" in self.df.columns:
+            self.df = self.df.drop("Split_IsOutlier", axis=1)
+        # convert splits to features if required
+        if featurize:
+            self.featurizeSplits(shuffle=False)
+
+    def loadDescriptorsToSplits(
+        self, shuffle: bool = True, random_state: Optional[int] = None
+    ):
+        """Load all available descriptors into the train and test splits.
+
+        If no descriptors are available, an exception will be raised.
+
+        args:
+            shuffle (bool): whether to shuffle the training and test sets
+            random_state (int): random state for shuffling
+
+        Raises:
+            ValueError: if no descriptors are available
+        """
+        if not self.hasDescriptors:
+            raise ValueError(
+                "No descriptors available. Cannot load descriptors to splits."
+            )
+        descriptors = self.getDescriptors()
+        if self.X_ind is not None and self.y_ind is not None:
+            self.X = descriptors.loc[self.X.index, :]
+            self.y = self.df.loc[self.X.index, self.targetPropertyNames]
+            self.X_ind = descriptors.loc[self.X_ind.index, :]
+            self.y_ind = self.df.loc[self.y_ind.index, self.targetPropertyNames]
+        else:
+            self.X = descriptors
+            self.featureNames = self.getDescriptorNames()
+            self.y = self.df.loc[descriptors.index, self.targetPropertyNames]
+            self.X_ind = descriptors.loc[~self.X.index.isin(self.X.index), :]
+            self.y_ind = self.df.loc[self.X_ind.index, self.targetPropertyNames]
+        if shuffle:
+            self.shuffle(random_state)
+        # make sure no extra data is present in the splits
+        mask_train = self.X.index.isin(self.df.index)
+        mask_test = self.X_ind.index.isin(self.df.index)
+        if mask_train.sum() != len(self.X):
+            logger.warning(
+                "Some items will be removed from the training set because "
+                f"they no longer exist in the data set: {self.X.index[~mask_train]}"
+            )
+        if mask_test.sum() != len(self.X_ind):
+            logger.warning(
+                "Some items will be removed from the test set because "
+                f"they no longer exist in the data set: {self.X_ind.index[~mask_test]}"
+            )
+        self.X = self.X.loc[mask_train, :]
+        self.X_ind = self.X_ind.loc[mask_test, :]
+        self.y = self.y.loc[self.X.index, :]
+        self.y_ind = self.y_ind.loc[self.X_ind.index, :]
+
+    def shuffle(self, random_state: Optional[int] = None):
+        self.X = self.X.sample(frac=1, random_state=random_state or self.randomState)
+        self.X_ind = self.X_ind.sample(
+            frac=1, random_state=random_state or self.randomState
+        )
+        self.y = self.y.loc[self.X.index, :]
+        self.y_ind = self.y_ind.loc[self.X_ind.index, :]
+        # self.df = self.df.loc[self.X.index, :]
+
+    def featurizeSplits(self, shuffle: bool = True, random_state: Optional[int] = None):
+        """If the data set has descriptors, load them into the train and test splits.
+
+        If no descriptors are available, remove all features from
+        the splits. They will become zero length along the feature axis (columns), but
+        will retain their original length along the sample axis (rows). This is useful
+        for the case where the data set has no descriptors, but the user wants to retain
+        train and test splits.
+
+        shuffle (bool): whether to shuffle the training and test sets
+        random_state (int): random state for shuffling
+        """
+        if self.hasDescriptors and self.hasFeatures:
+            self.loadDescriptorsToSplits(
+                shuffle=shuffle, random_state=random_state or self.randomState
+            )
+            self.X = self.X.loc[:, self.featureNames]
+            self.X_ind = self.X_ind.loc[:, self.featureNames]
+        else:
+            if self.X is not None and self.X_ind is not None:
+                self.X = self.X.loc[self.X.index, :]
+                self.X_ind = self.X_ind.loc[self.X_ind.index, :]
+            else:
+                self.X = self.df.loc[self.df.index, :]
+                self.X_ind = self.df.loc[~self.df.index.isin(self.X.index), :]
+            self.X = self.X.drop(self.X.columns, axis=1)
+            self.X_ind = self.X_ind.drop(self.X_ind.columns, axis=1)
+            if shuffle:
+                self.shuffle(random_state or self.randomState)
+        # make sure no extra data is present in the splits
+        mask_train = self.X.index.isin(self.df.index)
+        mask_test = self.X_ind.index.isin(self.df.index)
+        if mask_train.sum() != len(self.X):
+            logger.warning(
+                "Some items will be removed from the training set because "
+                f"they no longer exist in the data set: {self.X.index[~mask_train]}"
+            )
+        if mask_test.sum() != len(self.X_ind):
+            logger.warning(
+                "Some items will be removed from the test set because "
+                f"they no longer exist in the data set: {self.X_ind.index[~mask_test]}"
+            )
+        self.X = self.X.loc[mask_train, :]
+        self.X_ind = self.X_ind.loc[mask_test, :]
+
+    def fillMissing(self, fill_value: float, columns: Optional[list[str]] = None):
+        """Fill missing values in the data set with a given value.
+
+        Args:
+            fill_value (float): value to fill missing values with
+            columns (list[str], optional): columns to fill missing values in.
+                Defaults to None.
+        """
+        filled = False
+        for desc in self.descriptors:
+            desc.fillMissing(fill_value, columns)
+            filled = True
+        if not filled:
+            logger.warning("Missing values filled with %s" % fill_value)
+        else:
+            self.featurize()
+
+    def filterFeatures(self, feature_filters: list[Callable]):
+        """Filter features in the data set.
+
+        Args:
+            feature_filters (list[Callable]): list of feature filter functions that take
+                X feature matrix and y target vector as arguments
+        """
+        if not self.hasFeatures:
+            raise ValueError("No features to filter")
+        if self.X.shape[1] == 1:
+            logger.warning("Only one feature present. Skipping feature filtering.")
+            return
+        else:
+            for featurefilter in feature_filters:
+                self.X = featurefilter(self.X, self.y)
+            # update features
+            self.featureNames = self.X.columns.to_list()
+            if self.X_ind is not None:
+                self.X_ind = self.X_ind[self.featureNames]
+            logger.info(f"Selected features: {self.featureNames}")
+            # update descriptor calculator
+            for ds in self.descriptors:
+                to_keep = [
+                    x
+                    for x in ds.getDescriptorNames(active_only=False)
+                    if x in self.featureNames
+                ]
+                ds.keepDescriptors(to_keep)
+
+    def setFeatureStandardizer(self, feature_standardizer):
+        """Set feature standardizer.
+
+        Args:
+            feature_standardizer (SKLearnStandardizer | BaseEstimator): feature
+                standardizer
+        """
+        if not hasattr(feature_standardizer, "toFile"):
+            feature_standardizer = SKLearnStandardizer(feature_standardizer)
+        self.featureStandardizer = feature_standardizer
+
+    def addFeatures(
+        self,
+        feature_calculators: list[DescriptorSet],
+        recalculate: bool = False,
+    ):
+        """Add features to the data set.
+
+        Args:
+            feature_calculators (list[DescriptorSet]): list of
+                feature calculators to add. Defaults to None.
+            recalculate (bool): if True, recalculate features even if they are already
+                present in the data set. Defaults to False.
+        """
+        self.addDescriptors(
+            feature_calculators, recalculate=recalculate, featurize=False
+        )
+        self.featurize()
+
+    def dropInvalids(self):
+        ret = super().dropInvalids()
+        self.restoreTrainingData()
+        return ret
+
+    def reset(self):
+        """Reset the data set. Splits will be removed and all descriptors will be
+        moved to the training data. Molecule
+        standardization and molecule filtering are not affected.
+        """
+        if self.featureNames is not None:
+            self.featureNames = self.getDescriptorNames()
+            self.X = None
+            self.X_ind = None
+            self.y = None
+            self.y_ind = None
+            self.featureStandardizer = None
+            self.applicabilityDomain = None
+            self.loadDescriptorsToSplits(shuffle=False)
+
+    def prepareDataset(
+        self,
+        smiles_standardizer: str | Callable | None = "chembl",
+        data_filters: list | None = (RepeatsFilter(keep=True),),
+        split=None,
+        feature_calculators: list["DescriptorSet"] | None = None,
+        feature_filters: list | None = None,
+        feature_standardizer: SKLearnStandardizer | None = None,
+        feature_fill_value: float = np.nan,
+        applicability_domain: ApplicabilityDomain
+        | MLChemADApplicabilityDomain
+        | None = None,
+        drop_outliers: bool = False,
+        recalculate_features: bool = False,
+        shuffle: bool = True,
+        random_state: int | None = None,
+    ):
+        """Prepare the dataset for use in QSPR model.
+
+        Arguments:
+            smiles_standardizer (str | Callable): either `chembl`, `old`, or a
+                partial function that reads and standardizes smiles. If `None`, no
+                standardization will be performed. Defaults to `chembl`.
+            data_filters (list of datafilter obj): filters number of rows from dataset
+            split (datasplitter obj): splits the dataset into train and test set
+            feature_calculators (list[DescriptorSet]): descriptor sets to add to the data set
+            feature_filters (list of feature filter objs): filters features
+            feature_standardizer (SKLearnStandardizer or sklearn.base.BaseEstimator):
+                standardizes and/or scales features
+            feature_fill_value (float): value to fill missing values with.
+                Defaults to `numpy.nan`
+            applicability_domain (applicabilityDomain obj): attaches an
+                applicability domain calculator to the dataset and fits it on
+                the training set
+            drop_outliers (bool): whether to drop samples that are outside the
+                applicability domain from the test set, if one is attached.
+            recalculate_features (bool): recalculate features even if they are already
+                present in the file
+            shuffle (bool): whether to shuffle the created training and test sets
+            random_state (int): random state for shuffling
+        """
+        # reset everything
+        self.reset()
+        # apply sanitization and standardization
+        if smiles_standardizer is not None:
+            self.standardizeSmiles(smiles_standardizer)
+        # calculate features
+        if feature_calculators is not None:
+            self.addFeatures(feature_calculators, recalculate=recalculate_features)
+        # apply data filters
+        if data_filters is not None:
+            self.filter(data_filters)
+        # Replace any NaN values in featureNames by 0
+        # FIXME: this is not very good, we should probably add option to do custom
+        # data imputation here or drop rows with NaNs
+        if feature_fill_value is not None:
+            self.fillMissing(feature_fill_value)
+        # shuffle the data
+        if shuffle:
+            self.shuffle(random_state or self.randomState)
+        # split dataset
+        if split is not None:
+            self.split(split)
+        # apply feature filters on training set
+        if feature_filters and self.hasDescriptors:
+            self.filterFeatures(feature_filters)
+        elif not self.hasDescriptors:
+            logger.warning("No descriptors present, feature filters will be skipped.")
+        # set feature standardizers
+        if feature_standardizer:
+            self.setFeatureStandardizer(feature_standardizer)
+        # set applicability domain and fit it on the training set
+        if applicability_domain:
+            self.setApplicabilityDomain(applicability_domain)
+        # drop outliers from test set based on applicability domain
+        if drop_outliers:
+            self.dropOutliers()
+
+    def checkFeatures(self):
+        """Check consistency of features and descriptors."""
+        if self.X.shape[0] != self.y.shape[0]:
+            raise ValueError(
+                "X and y have different number of rows: "
+                f"{self.X.shape[0]} != {self.y.shape[0]}"
+            )
+        elif self.X.shape[0] == 0:
+            raise ValueError("X has no rows.")
+
+    def getFeatures(
+        self,
+        inplace: bool = False,
+        concat: bool = False,
+        raw: bool = False,
+        ordered: bool = False,
+        refit_standardizer: bool = True,
+    ):
+        """Get the current feature sets (training and test) from the dataset.
+
+        This method also applies any feature standardizers that have been set on the
+        dataset during preparation. Outliers are dropped from the test set if they are
+        present, unless `concat` is `True`.
+
+        Args:
+            inplace (bool): If `True`, the created feature matrices will be saved to the
+                dataset object itself as 'X' and 'X_ind' attributes. Note that this will
+                overwrite any existing feature matrices and if the data preparation
+                workflow changes, these are not kept up to date. Therefore, it is
+                recommended to generate new feature sets after any data set changes.
+            concat (bool): If `True`, the training and test feature matrices will be
+                concatenated into a single matrix. This is useful for training models
+                that do not require separate training and test sets (i.e. the final
+                optimized models).
+            raw (bool): If `True`, the raw feature matrices will be returned without
+                any standardization applied.
+            ordered (bool):
+                If `True`, the returned feature matrices will be ordered
+                according to the original order of the data set. This is only relevant
+                if `concat` is `True`.
+            refit_standardizer (bool): If `True`, the feature standardizer will be
+                refit on the training set upon this call. If `False`, the previously
+                fitted standardizer will be used. Defaults to `True`. Use `False` if
+                this dataset is used for prediction only and the standardizer has
+                been initialized already.
+        """
+        self.checkFeatures()
+        # get feature matrices using feature names
+        if concat:
+            if len(self.X.columns) != 0:
+                df_X = pd.concat(
+                    [self.X[self.featureNames], self.X_ind[self.featureNames]], axis=0
+                )
+                df_X_ind = None
+            else:
+                df_X = pd.concat([self.X, self.X_ind], axis=0)
+                df_X_ind = None
+        elif len(self.X.columns) != 0:
+            df_X = self.X[self.featureNames]
+            df_X_ind = self.X_ind[self.featureNames]
+        else:
+            df_X = self.X
+            df_X_ind = self.X_ind
+        # convert to numpy arrays and standardize
+        X = df_X.values
+        X_ind = df_X_ind.values if df_X_ind is not None else None
+        if not raw and self.featureStandardizer:
+            X, self.featureStandardizer = apply_feature_standardizer(
+                self.featureStandardizer,
+                df_X,
+                fit=True if refit_standardizer else False,
+            )
+            if X_ind is not None and X_ind.shape[0] > 0:
+                X_ind, _ = apply_feature_standardizer(
+                    self.featureStandardizer, df_X_ind, fit=False
+                )
+        # convert to data frames and make sure column order is correct
+        X = pd.DataFrame(X, index=df_X.index, columns=df_X.columns)
+        if X_ind is not None:
+            X_ind = pd.DataFrame(X_ind, index=df_X_ind.index, columns=df_X_ind.columns)
+        # drop outliers from test set
+        if "Split_IsOutlier" in self.df.columns and not concat:
+            if X_ind is not None:
+                X_ind = X_ind.loc[~self.df["Split_IsOutlier"], :]
+        # replace original feature matrices if inplace
+        if inplace:
+            self.X = X
+            self.X_ind = X_ind
+        # order if concatenating
+        if ordered and concat:
+            X = X.loc[self.df.index, :]
+        return (X, X_ind) if not concat else X
+
+    def getTargetPropertiesValues(self, concat: bool = False, ordered: bool = False):
+        """Get the response values (training and test) for the set target property.
+
+        Args:
+            concat (bool): if `True`, return concatenated training and validation set
+                target properties
+            ordered (bool): if `True`, return the target properties in the original
+                order of the data set. This is only relevant if `concat` is `True`.
+        Returns:
+            `tuple` of (train_responses, test_responses) or `pandas.DataFrame` of all
+            target property values
+        """
+        if concat:
+            ret = pd.concat(
+                [self.y, self.y_ind] if self.y_ind is not None else [self.y]
+            )
+            return ret.loc[self.df.index, :] if ordered else ret
+        else:
+            if self.y_ind is not None and "Split_IsOutlier" in self.df.columns:
+                y_ind = self.y_ind.loc[~self.df["Split_IsOutlier"], :]
+            else:
+                y_ind = self.y_ind
+            return self.y, y_ind if y_ind is not None else self.y
+
+    def getTargetProperties(self, names: list) -> list[TargetProperty]:
+        """Get the target properties with the given names.
+
+        Args:
+            names (list[str]): name of the target properties
+
+        Returns:
+            list[TargetProperty]: list of target properties
+        """
+        return [tp for tp in self.targetProperties if tp.name in names]
+
+    @property
+    def targetPropertyNames(self):
+        """Get the names of the target properties."""
+        return TargetProperty.getNames(self.targetProperties)
+
+    @property
+    def isMultiTask(self):
+        """Check if the dataset contains multiple target properties.
+
+        Returns:
+            `bool`: `True` if the dataset contains multiple target properties
+        """
+        return len(self.targetProperties) > 1
+
+    @property
+    def nTargetProperties(self):
+        """Get the number of target properties in the dataset."""
+        return len(self.targetProperties)
+
+    def unsetTargetProperty(self, name: str | TargetProperty):
+        """Unset the target property. It will not remove it from the data set, but
+        will make it unavailable for training.
+
+        Args:
+            name (str | TargetProperty):
+                name of the target property to drop or the property itself
+        """
+        name = name.name if isinstance(name, TargetProperty) else name
+        assert (
+            name in self.targetPropertyNames
+        ), f"Target property '{name}' not found in dataset."
+        assert (
+            len(self.targetProperties) > 1
+        ), "Cannot drop task from single-task dataset."
+        self.targetProperties = [tp for tp in self.targetProperties if tp.name != name]
+        self.restoreTrainingData()
+
+    def dropEmptyProperties(self, names: list[str]):
+        super().dropEmptyProperties(names)
+        self.restoreTrainingData()
+
+    def transform(
+        self, targets: list[str], transformer: Callable, add_as: list[str] | None = None
+    ):
+        super().transform(targets, transformer, add_as)
+        if add_as is None and (set(targets) & set(self.targetPropertyNames)):
+            self.restoreTrainingData()
+
+    def imputeProperties(self, names: list[str], imputer: Callable):
+        super().imputeProperties(names, imputer)
+        self.restoreTrainingData()
+
+    def setTargetProperty(self, prop: TargetProperty | dict, drop_empty: bool = True):
+        """Add a target property to the dataset.
+
+        Args:
+            prop (TargetProperty):
+                name of the target property to add
+            drop_empty (bool):
+                whether to drop rows with empty target property values. Defaults to
+                `True`.
+        """
+        logger.debug(f"Adding target property '{prop}' to dataset.")
+        # deep copy the property to avoid modifying the original
+        prop = deepcopy(prop)
+        if isinstance(prop, dict):
+            prop = TargetProperty.fromDict(prop)
+        if prop.name in self.targetPropertyNames:
+            logger.warning(
+                f"Property '{prop}' already exists in dataset. It will be reset."
+            )
+        assert prop.name in self.df.columns, f"Property {prop} not found in data set."
+        # add the target property to the list
+        self.targetProperties.append(prop)
+        # restore original values if they were transformed
+        self.resetTargetProperty(prop)
+        # impute the property
+        if prop.imputer is not None:
+            self.imputeProperties([prop.name], prop.imputer)
+        # transform the property
+        if prop.transformer is not None:
+            self.transform(
+                [prop.name],
+                prop.transformer,
+            )
+        # drop rows with missing smiles/no target property for any of
+        # the target properties
+        if drop_empty:
+            self.dropEmptyProperties([prop.name])
+        # convert classification targets to integers
+        if prop.task.isClassification():
+            self.makeClassification(prop.name, prop.th)
+
+    def iterFolds(
+        self,
+        split: "DataSplit",
+        concat: bool = False,
+    ) -> Generator[
+        tuple[
+            pd.DataFrame,
+            pd.DataFrame,
+            pd.DataFrame | pd.Series,
+            pd.DataFrame | pd.Series,
+            list[int],
+            list[int],
+        ],
+        None,
+        None,
+    ]:
+        """Iterate over the folds of the dataset.
+
+        Args:
+            split (DataSplit):
+                split instance orchestrating the split
+            concat (bool):
+                whether to concatenate the training and test feature matrices
+
+        Yields:
+            tuple:
+                training and test feature matrices and target vectors
+                for each fold
+        """
+        self.checkFeatures()
+        folds = FoldsFromDataSplit(split, self.featureStandardizer)
+        return folds.iterFolds(self, concat=concat)
+
+    def setApplicabilityDomain(
+        self, applicability_domain: ApplicabilityDomain | MLChemADApplicabilityDomain
+    ):
+        """Set the applicability domain calculator.
+
+        Args:
+            applicability_domain (ApplicabilityDomain | MLChemADApplicabilityDomain):
+                applicability domain calculator instance
+        """
+        if isinstance(applicability_domain, MLChemADApplicabilityDomain):
+            self.applicabilityDomain = MLChemADWrapper(applicability_domain)
+        else:
+            self.applicabilityDomain = applicability_domain
+
+    def dropOutliers(self):
+        """Drop outliers from the test set based on the applicability domain."""
+        if self.applicabilityDomain is None:
+            raise ValueError(
+                "No applicability domain calculator attached to the data set."
+            )
+        X, X_ind = self.getFeatures()
+        if X_ind.shape[0] == 0:
+            logger.warning(
+                "No test samples available, skipping outlier removal from test set."
+            )
+            return
+        # check if X or X_ind contain any nan values
+        if X.isna().any().any() or X_ind.isna().any().any():
+            logger.warning(
+                "Feature matrix contains NaN values. "
+                "Please fill them before applying outlier removal."
+                "Outliers will not be dropped."
+            )
+            return
+        # fit applicability domain on the training set
+        self.applicabilityDomain.fit(X)
+        mask = self.applicabilityDomain.contains(X_ind)
+        if not mask.sum().any():
+            logger.warning(
+                "All samples in the test set are outside the applicability domain,"
+                "outliers will not be dropped."
+            )
+            return
+        self.df["Split_IsOutlier"] = False
+        self.df.loc[X_ind.index, "Split_IsOutlier"] = ~mask["in_domain"]
+
+        logger.info(
+            f"Marked {(~mask).sum().sum()} samples from the test set as outlier."
+        )
diff --git a/qsprpred/data/tables/searchable.py b/qsprpred/data/tables/searchable.py
new file mode 100644
index 00000000..a96bbaa3
--- /dev/null
+++ b/qsprpred/data/tables/searchable.py
@@ -0,0 +1,52 @@
+from abc import abstractmethod
+from typing import Literal
+
+from qsprpred.data.tables.base import MoleculeDataTable
+
+
+class SearchableMolTable(MoleculeDataTable):
+    @abstractmethod
+    def searchOnProperty(
+        self, prop_name: str, values: list[str], name: str | None = None, exact=False
+    ) -> MoleculeDataTable:
+        """Search the molecules within this `MoleculeDataSet` on a property value.
+
+        Args:
+            prop_name:
+                Name of the column to search on.
+            values:
+                Values to search for.
+            name:
+                Name of the new table.
+            exact:
+                Whether to search for exact matches or not.
+
+        Returns:
+            (MoleculeDataTable):
+                A data set with the molecules that match the search.
+        """
+
+    @abstractmethod
+    def searchWithSMARTS(
+        self,
+        patterns: list[str],
+        operator: Literal["or", "and"] = "or",
+        use_chirality: bool = False,
+        name: str | None = None,
+    ) -> MoleculeDataTable:
+        """
+        Search the molecules within this `MoleculeDataSet` with SMARTS patterns.
+
+        Args:
+            patterns:
+                List of SMARTS patterns to search with.
+            operator (object):
+                Whether to use an "or" or "and" operator on patterns. Defaults to "or".
+            use_chirality:
+                Whether to use chirality in the search.
+            name:
+                Name of the new table.
+
+        Returns:
+            (MoleculeDataTable): A dataframe with the molecules that match the pattern.
+        """
diff --git a/qsprpred/data/tables/tests.py b/qsprpred/data/tables/tests.py
new file mode 100644
index 00000000..184e6637
--- /dev/null
+++ b/qsprpred/data/tables/tests.py
@@ -0,0 +1,731 @@
+import os
+
+import numpy as np
+import pandas as pd
+from parameterized import parameterized
+from sklearn.impute import SimpleImputer
+from sklearn.model_selection import KFold, ShuffleSplit
+
+from ..descriptors.fingerprints import MorganFP
+from ... import TargetProperty, TargetTasks
+from ...data import QSPRDataset
+from ...utils.stopwatch import StopWatch
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.check_mixins import DataPrepCheckMixIn
+from ...utils.testing.path_mixins import DataSetsPathMixIn, PathMixIn
+
+
+class TestDataSetCreationAndSerialization(DataSetsPathMixIn, QSPRTestCase):
+    """Simple tests for dataset creation and serialization under different conditions
+    and error states."""
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def checkConsistency(self, ds: QSPRDataset):
+        self.assertNotIn("Notes", ds.getProperties())
+        self.assertNotIn("HBD", ds.getProperties())
+        self.assertTrue(len(self.getSmallDF()) - 1 == len(ds))
+        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
+        self.assertTrue(ds.hasProperty("CL"))
+        self.assertEqual(ds.targetProperties[0].name, "CL")
+        self.assertEqual(len(ds.X), len(ds))
+        self.assertEqual(len(ds.X_ind), 0)
+        self.assertEqual(len(ds.y), len(ds))
+        self.assertEqual(len(ds.y_ind), 0)
+
+    def checkConsistencyMulticlass(self, ds):
+        self.assertTrue(ds.isMultiTask)
+        self.assertEqual(ds.nTargetProperties, 2)
+        self.assertEqual(len(ds.targetProperties), 2)
+        self.assertEqual(ds.targetProperties[0].name, "CL")
+        self.assertEqual(ds.targetProperties[1].name, "fu")
+        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
+        self.assertEqual(ds.targetProperties[1].task, TargetTasks.REGRESSION)
+        self.assertEqual(len(ds.X), len(ds))
+        self.assertEqual(len(ds.y), len(ds))
+        self.assertEqual(len(ds.y.columns), 2)
+        self.assertEqual(ds.y.columns[0], "CL")
+        self.assertEqual(ds.y.columns[1], "fu")
+
+    def checkConsistencySingleclass(self, ds):
+        self.assertFalse(ds.isMultiTask)
+        self.assertEqual(ds.nTargetProperties, 1)
+        self.assertEqual(len(ds.targetProperties), 1)
+        self.assertEqual(ds.targetProperties[0].name, "CL")
+        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
+        self.assertEqual(len(ds.X), len(ds))
+        self.assertEqual(len(ds.y), len(ds))
+        self.assertEqual(len(ds.y.columns), 1)
+        self.assertEqual(ds.y.columns[0], "CL")
+
+    def checkBadInit(self, ds):
+        with self.assertRaises(AssertionError):
+            ds.makeClassification("CL", [])
+        with self.assertRaises(AssertionError):
+            ds.makeClassification("CL", th=6.5)
+        with self.assertRaises(AssertionError):
+            ds.makeClassification("CL", th=[0, 2, 3])
+        with self.assertRaises(AssertionError):
+            ds.makeClassification("CL", th=[0, 2, 3])
+
+    def checkClassification(self, ds, target_names, ths):
+        # Test that the dataset properties are correctly initialized
+        self.assertTrue(len(ds.targetProperties) == len(target_names) == len(ths))
+        for idx, target_prop in enumerate(ds.targetProperties):
+            if len(ths[idx]) == 1:
+                self.assertEqual(target_prop.task, TargetTasks.SINGLECLASS)
+            else:
+                self.assertEqual(target_prop.task, TargetTasks.MULTICLASS)
+            self.assertEqual(target_prop.name, target_names[idx])
+            y = ds.getTargetPropertiesValues(concat=True)
+            self.assertTrue(y.columns[idx] == target_prop.name)
+            if target_prop.task == TargetTasks.SINGLECLASS:
+                self.assertEqual(y[target_prop.name].unique().shape[0], 2)
+            elif ths[idx] != "precomputed":
+                self.assertEqual(
+                    y[target_prop.name].unique().shape[0], (len(ths[idx]) - 1)
+                )
+            self.assertEqual(target_prop.th, ths[idx])
+
+    def checkRegression(self, ds, target_names):
+        self.assertTrue(len(ds.targetProperties) == len(target_names))
+        for idx, target_prop in enumerate(ds.targetProperties):
+            self.assertEqual(target_prop.task, TargetTasks.REGRESSION)
+            self.assertTrue(ds.hasProperty(target_names[idx]))
+            self.assertEqual(target_prop.name, target_names[idx])
+            ds.getTargetPropertiesValues(concat=True)
+
+    def testDefaults(self):
+        """Test basic dataset creation and serialization with mostly default options."""
+        # create a basic regression data set
+        dataset = QSPRDataset(
+            "test_defaults",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        self.assertIn("HBD", dataset.getProperties())
+        dataset.removeProperty("HBD")
+        self.assertNotIn("HBD", dataset.getProperties())
+        stopwatch = StopWatch()
+        dataset.save()
+        stopwatch.stop("Saving took: ")
+        self.assertTrue(os.path.exists(dataset.storePath))
+        # load the data set again and check if everything is consistent after loading
+        # creation from file
+        stopwatch.reset()
+        dataset_new = QSPRDataset.fromFile(dataset.metaFile)
+        stopwatch.stop("Loading from file took: ")
+        self.checkConsistency(dataset_new)
+        # creation by reinitialization
+        stopwatch.reset()
+        dataset_new = QSPRDataset(
+            "test_defaults",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        stopwatch.stop("Reinitialization took: ")
+        self.checkConsistency(dataset_new)
+        # creation from a table file
+        stopwatch.reset()
+        dataset_new = QSPRDataset.fromTableFile(
+            "test_defaults",
+            f"{self.inputDataPath}/test_data.tsv",
+            target_props=[{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        stopwatch.stop("Loading from table file took: ")
+        self.assertTrue(isinstance(dataset_new, QSPRDataset))
+        self.checkConsistency(dataset_new)
+        # creation from a table file with a new name
+        dataset_new = QSPRDataset.fromTableFile(
+            "test_defaults_new",  # new name implies HBD below should exist again
+            f"{self.inputDataPath}/test_data.tsv",
+            target_props=[{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        self.assertTrue(isinstance(dataset_new, QSPRDataset))
+        self.assertIn("HBD", dataset_new.getProperties())
+        dataset_new.removeProperty("HBD")
+        self.checkConsistency(dataset_new)
+
+    def testMultitask(self):
+        """Test multi-task dataset creation and functionality."""
+        dataset = QSPRDataset(
+            "testMultitask",
+            [
+                {
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION
+                },
+                {
+                    "name": "fu",
+                    "task": TargetTasks.REGRESSION
+                },
+            ],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        # Check that the dataset is correctly initialized
+        self.checkConsistencyMulticlass(dataset)
+        # Check the dataset after dropping a task
+        dataset.unsetTargetProperty("fu")
+        self.checkConsistencySingleclass(dataset)
+        with self.assertRaises(AssertionError):
+            dataset.unsetTargetProperty("fu")
+        with self.assertRaises(AssertionError):
+            dataset.unsetTargetProperty("CL")
+        # Check the dataset after adding a task
+        dataset.setTargetProperty({"name": "fu", "task": TargetTasks.REGRESSION})
+        self.checkConsistencyMulticlass(dataset)
+
+    def testTargetProperty(self):
+        """Test target property creation and serialization
+        in the context of a dataset.
+        """
+        dataset = QSPRDataset(
+            "testTargetProperty",
+            [
+                {
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION
+                },
+                {
+                    "name": "fu",
+                    "task": TargetTasks.REGRESSION
+                },
+            ],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        # Check that the make classification method works as expected
+        self.checkBadInit(dataset)
+        dataset.makeClassification("CL", th=[6.5])
+        dataset.makeClassification("fu", th=[0.3])
+        self.checkClassification(dataset, ["CL", "fu"], [[6.5], [0.3]])
+        dataset.makeClassification("CL", th=[0, 15, 30, 60])
+        self.checkClassification(dataset, ["CL", "fu"], [[0, 15, 30, 60], [0.3]])
+        dataset.save()
+        # check precomputed threshold setting
+        df_new = dataset.df.copy()
+        del df_new["CL_original"]
+        dataset = QSPRDataset(
+            "testTargetProperty-precomputed",
+            [{
+                "name": "CL",
+                "task": TargetTasks.MULTICLASS,
+                "th": "precomputed"
+            }],
+            df=df_new,
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        self.assertEqual(len(dataset.targetProperties), 1)
+        self.assertEqual(dataset.targetProperties[0].task, TargetTasks.MULTICLASS)
+        self.assertEqual(dataset.targetProperties[0].name, "CL")
+        self.assertEqual(dataset.targetProperties[0].nClasses, 3)
+        self.assertEqual(dataset.targetProperties[0].th, "precomputed")
+        # Check that the dataset is correctly loaded from file for classification
+        dataset.save()
+        dataset_new = QSPRDataset.fromFile(dataset.metaFile)
+        self.checkBadInit(dataset_new)
+        self.checkClassification(dataset_new, ["CL"], ["precomputed"])
+        # Check that the make regression method works as expected
+        dataset_new.makeRegression(target_property="CL")
+        # Check that the dataset is correctly loaded from file for regression
+        self.checkRegression(dataset_new, ["CL"])
+        dataset_new.save()
+        dataset_new = QSPRDataset.fromFile(dataset.metaFile)
+        self.checkRegression(dataset_new, ["CL"])
+
+    def testIndexing(self):
+        # default index
+        QSPRDataset(
+            "testTargetProperty",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        # set index to SMILES column
+        QSPRDataset(
+            "testTargetProperty",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+            index_cols=["SMILES"],
+        )
+        # multiindex
+        QSPRDataset(
+            "testTargetProperty",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=self.getSmallDF(),
+            store_dir=self.generatedDataPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+            index_cols=["SMILES", "Name"],
+        )
+        # index with duplicates
+        self.assertRaises(
+            ValueError,
+            lambda: QSPRDataset(
+                "testTargetProperty",
+                [{
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION
+                }],
+                df=self.getSmallDF(),
+                store_dir=self.generatedDataPath,
+                n_jobs=self.nCPU,
+                chunk_size=self.chunkSize,
+                index_cols=["moka_ionState7.4"],
+            ),
+        )
+        # index has nans
+        self.assertRaises(
+            ValueError,
+            lambda: QSPRDataset(
+                "testTargetProperty",
+                [{
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION
+                }],
+                df=self.getSmallDF(),
+                store_dir=self.generatedDataPath,
+                n_jobs=self.nCPU,
+                chunk_size=self.chunkSize,
+                index_cols=["fu"],
+            ),
+        )
+
+    @parameterized.expand([(1, ), (2, )])  # use one or two CPUs
+    def testInvalidsDetection(self, n_cpu):
+        df = self.getBigDF()
+        all_mols = len(df)
+        dataset = QSPRDataset(
+            "testInvalidsDetection",
+            [{
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }],
+            df=df,
+            store_dir=self.generatedDataPath,
+            drop_invalids=False,
+            drop_empty=False,
+            n_jobs=n_cpu,
+        )
+        self.assertEqual(dataset.df.shape[0], df.shape[0])
+        self.assertRaises(ValueError, lambda: dataset.checkMols())
+        self.assertRaises(
+            ValueError,
+            lambda: dataset.addDescriptors([MorganFP(radius=2, nBits=128)]),
+        )
+        invalids = dataset.checkMols(throw=False)
+        self.assertEqual(sum(~invalids), 1)
+        dataset.dropInvalids()
+        self.assertEqual(dataset.df.shape[0], all_mols - 1)
+
+    def testRandomStateShuffle(self):
+        dataset = self.createLargeTestDataSet()
+        seed = dataset.randomState
+        dataset.shuffle()
+        order = dataset.getDF().index.tolist()
+        dataset.save()
+        dataset.shuffle()
+        order_next = dataset.getDF().index.tolist()
+        # reload and check if seed and order are the same
+        dataset = QSPRDataset.fromFile(dataset.metaFile)
+        self.assertEqual(dataset.randomState, seed)
+        self.assertListEqual(dataset.getDF().index.tolist(), order)
+        # shuffle again and check if order is the same as before
+        dataset.shuffle()
+        self.assertListEqual(dataset.getDF().index.tolist(), order_next)
+
+    def testRandomStateFeaturization(self):
+        # create and save the data set
+        dataset = self.createLargeTestDataSet()
+        dataset.addDescriptors(
+            [MorganFP(radius=2, nBits=128)],
+            featurize=False,
+        )
+        dataset.save()
+        # split and featurize with shuffling
+        split = ShuffleSplit(1, test_size=0.5, random_state=dataset.randomState)
+        dataset.split(split, featurize=False)
+        dataset.featurizeSplits(shuffle=True)
+        train, test = dataset.getFeatures()
+        train_order = train.index.tolist()
+        test_order = test.index.tolist()
+        # reload and check if orders are the same if we redo the split
+        # and featurization with the same random state
+        dataset = QSPRDataset.fromFile(dataset.metaFile)
+        split = ShuffleSplit(1, test_size=0.5, random_state=dataset.randomState)
+        dataset.split(split, featurize=False)
+        dataset.featurizeSplits(shuffle=True)
+        train, test = dataset.getFeatures()
+        self.assertListEqual(train.index.tolist(), train_order)
+        self.assertListEqual(test.index.tolist(), test_order)
+
+    def testRandomStateFolds(self):
+        # create and save the data set (fixes the seed)
+        dataset = self.createLargeTestDataSet()
+        dataset.save()
+        # calculate descriptors and iterate over folds
+        dataset.prepareDataset(feature_calculators=[MorganFP(radius=2, nBits=128)])
+        train, _ = dataset.getFeatures()
+        order_train = train.index.tolist()
+        order_folds = []
+        split = KFold(5, shuffle=True, random_state=dataset.randomState)
+        for _, _, _, _, train_index, test_index in dataset.iterFolds(split):
+            order_folds.append(train.iloc[train_index].index.tolist())
+        # reload and check if orders are the same if we redo the folds from saved data
+        dataset = QSPRDataset.fromFile(dataset.metaFile)
+        dataset.prepareDataset(feature_calculators=[MorganFP(radius=2, nBits=128)])
+        train, _ = dataset.getFeatures()
+        self.assertListEqual(train.index.tolist(), order_train)
+        split = KFold(5, shuffle=True, random_state=dataset.randomState)
+        for i, (_, _, _, _, train_index, test_index) in enumerate(
+            dataset.iterFolds(split)
+        ):
+            self.assertListEqual(train.iloc[train_index].index.tolist(), order_folds[i])
+
+
+class TestSearchFeatures(DataSetsPathMixIn, QSPRTestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def validateSearch(self, dataset: QSPRDataset, result: QSPRDataset, name: str):
+        """Validate the results of a search."""
+        self.assertTrue(len(result) < len(dataset))
+        self.assertTrue(isinstance(result, type(dataset)))
+        self.assertEqual(result.name, name)
+        self.assertListEqual(dataset.getProperties(), result.getProperties())
+        self.assertListEqual(dataset.getFeatureNames(), result.getFeatureNames())
+        self.assertListEqual(dataset.targetPropertyNames, result.targetPropertyNames)
+        self.assertEqual(len(dataset.descriptors), len(result.descriptors))
+        self.assertEqual(len(dataset.descriptorSets), len(result.descriptorSets))
+        self.assertEqual(len(dataset.targetProperties), len(result.targetProperties))
+        self.assertEqual(dataset.nTargetProperties, result.nTargetProperties)
+
+    def testSMARTS(self):
+        dataset = self.createLargeTestDataSet(
+            preparation_settings=self.getDefaultPrep()
+        )
+        search_name = "search_name"
+        results_and = dataset.searchWithSMARTS(
+            ["c1ccccc1", "S(=O)(=O)"],
+            operator="and",
+            name=search_name,
+        )
+        self.assertTrue(all("S" in x for x in results_and.smiles))
+        self.validateSearch(dataset, results_and, search_name)
+        results_or = dataset.searchWithSMARTS(
+            ["c1ccccc1", "S"],
+            operator="or",
+            name=search_name,
+        )
+        self.validateSearch(dataset, results_or, search_name)
+        self.assertFalse(all("S" in x for x in results_or.smiles))
+        self.assertTrue(any("S" in x for x in results_or.smiles))
+        self.assertTrue(len(results_and) < len(results_or))
+
+    def testPropSearch(self):
+        dataset = self.createLargeTestDataSet(
+            preparation_settings=self.getDefaultPrep()
+        )
+        search_name = "search_name"
+        results = dataset.searchOnProperty(
+            "moka_ionState7.4",
+            ["cationic"],
+            name=search_name,
+            exact=True,
+        )
+        self.validateSearch(dataset, results, search_name)
+        self.assertTrue(
+            all(x == "cationic" for x in results.getProperty("moka_ionState7.4"))
+        )
+        results = dataset.searchOnProperty(
+            "Reference",
+            ["Cook"],
+            name=search_name,
+            exact=False,
+        )
+        self.validateSearch(dataset, results, search_name)
+        self.assertTrue(all("Cook" in x for x in results.getProperty("Reference")))
+        results = dataset.searchOnProperty(
+            "Reference",
+            ["Cook"],
+            name=search_name,
+            exact=True,
+        )
+        self.assertTrue(len(results) == 0)
+
+
+def prop_transform(x):
+    return np.log10(x)
+
+
+class TestTargetProperty(QSPRTestCase):
+    """Test the TargetProperty class."""
+    def checkTargetProperty(self, target_prop, name, task, th):
+        # Check the target property creation consistency
+        self.assertEqual(target_prop.name, name)
+        self.assertEqual(target_prop.task, task)
+        if task.isClassification():
+            self.assertTrue(target_prop.task.isClassification())
+            self.assertEqual(target_prop.th, th)
+
+    def testInit(self):
+        """Check the TargetProperty class on target
+        property creation.
+        """
+        # Check the different task types
+        targetprop = TargetProperty("CL", TargetTasks.REGRESSION)
+        self.checkTargetProperty(targetprop, "CL", TargetTasks.REGRESSION, None)
+        targetprop = TargetProperty("CL", TargetTasks.MULTICLASS, th=[0, 1, 10, 1200])
+        self.checkTargetProperty(
+            targetprop, "CL", TargetTasks.MULTICLASS, [0, 1, 10, 1200]
+        )
+        targetprop = TargetProperty("CL", TargetTasks.SINGLECLASS, th=[5])
+        self.checkTargetProperty(targetprop, "CL", TargetTasks.SINGLECLASS, [5])
+        # check with precomputed values
+        targetprop = TargetProperty(
+            "CL", TargetTasks.SINGLECLASS, th="precomputed", n_classes=2
+        )
+        self.checkTargetProperty(
+            targetprop, "CL", TargetTasks.SINGLECLASS, "precomputed"
+        )
+        # Check from dictionary creation
+        targetprop = TargetProperty.fromDict(
+            {
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            }
+        )
+        self.checkTargetProperty(targetprop, "CL", TargetTasks.REGRESSION, None)
+        targetprop = TargetProperty.fromDict(
+            {
+                "name": "CL",
+                "task": TargetTasks.MULTICLASS,
+                "th": [0, 1, 10, 1200]
+            }
+        )
+        self.checkTargetProperty(
+            targetprop, "CL", TargetTasks.MULTICLASS, [0, 1, 10, 1200]
+        )
+        # Check from list creation, selection and serialization support functions
+        targetprops = TargetProperty.fromList(
+            [
+                {
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION
+                },
+                {
+                    "name": "fu",
+                    "task": TargetTasks.REGRESSION
+                },
+            ]
+        )
+        self.checkTargetProperty(targetprops[0], "CL", TargetTasks.REGRESSION, None)
+        self.checkTargetProperty(targetprops[1], "fu", TargetTasks.REGRESSION, None)
+        self.assertListEqual(TargetProperty.getNames(targetprops), ["CL", "fu"])
+        targetprops = TargetProperty.toList(targetprops)
+        self.assertIsInstance(targetprops, list)
+        self.assertIsInstance(targetprops[0], dict)
+        self.assertEqual(targetprops[0]["name"], "CL")
+        self.assertEqual(targetprops[0]["task"], TargetTasks.REGRESSION)
+
+    @parameterized.expand(
+        [
+            (TargetTasks.REGRESSION, "CL", None, prop_transform),
+            (TargetTasks.MULTICLASS, "CL", [0, 1, 10, 1200], lambda x: x + 1),
+            # (TargetTasks.SINGLECLASS, "CL", [5], np.log), FIXME: np.log does not save
+        ]
+    )
+    def testSerialization(self, task, name, th, transformer):
+        prop = TargetProperty(name, task, transformer=transformer, th=th)
+        json_form = prop.toJSON()
+        prop2 = TargetProperty.fromJSON(json_form)
+        self.assertEqual(prop2.name, prop.name)
+        self.assertEqual(prop2.task, prop.task)
+        rnd_number = np.random.rand(10)
+        self.assertTrue(
+            all(prop2.transformer(rnd_number) == prop.transformer(rnd_number))
+        )
+
+
+class TestDataSetPreparation(DataSetsPathMixIn, DataPrepCheckMixIn, QSPRTestCase):
+    """Test as many possible combinations of data sets and their preparation
+    settings. These can run potentially for a long time so use the ``skip`` decorator
+    if you want to skip all these tests to speed things up during development."""
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand(DataSetsPathMixIn.getPrepCombos())
+    def testPrepCombos(
+        self,
+        _,
+        name,
+        feature_calculators,
+        split,
+        feature_standardizer,
+        feature_filter,
+        data_filter,
+        applicability_domain,
+    ):
+        """Tests one combination of a data set and its preparation settings.
+
+        This generates a large number of parameterized tests. Use the ``skip`` decorator
+        if you want to skip all these tests. Note that the combinations are not
+        exhaustive, but defined by `DataSetsPathMixIn.getPrepCombos()`."""
+        np.random.seed(42)
+        dataset = self.createLargeTestDataSet(name=name)
+        self.checkPrep(
+            dataset,
+            feature_calculators,
+            split,
+            feature_standardizer,
+            feature_filter,
+            data_filter,
+            applicability_domain,
+            ["CL"],
+        )
+
+
+class TestTargetImputation(PathMixIn, QSPRTestCase):
+    """Small tests to only check if the target imputation works on its own."""
+    def setUp(self):
+        """Set up the test Dataframe."""
+        super().setUp()
+        self.setUpPaths()
+        self.descriptors = [
+            "Descriptor_F1",
+            "Descriptor_F2",
+            "Descriptor_F3",
+            "Descriptor_F4",
+            "Descriptor_F5",
+        ]
+        self.df = pd.DataFrame(
+            data=np.array(
+                [
+                    ["C", 1, 4, 2, 6, 2, 1, 2],
+                    ["C", 1, 8, 4, 2, 4, 1, 2],
+                    ["C", 1, 4, 3, 2, 5, 1, np.NaN],
+                    ["C", 1, 8, 4, 9, 8, 2, 2],
+                    ["C", 1, 4, 2, 3, 9, 2, 2],
+                    ["C", 1, 8, 4, 7, 12, 2, 2],
+                ]
+            ),
+            columns=["SMILES", *self.descriptors, "y", "z"],
+        )
+
+    def testImputation(self):
+        """Test the imputation of missing values in the target properties."""
+        self.dataset = QSPRDataset(
+            "TestImputation",
+            target_props=[
+                {
+                    "name": "y",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+                {
+                    "name": "z",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+            ],
+            df=self.df,
+            store_dir=self.generatedPath,
+            n_jobs=self.nCPU,
+            chunk_size=self.chunkSize,
+        )
+        self.assertEqual(self.dataset.targetProperties[0].name, "y")
+        self.assertEqual(self.dataset.targetProperties[1].name, "z")
+        self.assertTrue("y_before_impute" in self.dataset.df.columns)
+        self.assertTrue("z_before_impute" in self.dataset.df.columns)
+        self.assertEqual(self.dataset.df["y"].isna().sum(), 0)
+        self.assertEqual(self.dataset.df["z"].isna().sum(), 0)
+
+
+class TestApply(DataSetsPathMixIn, QSPRTestCase):
+    """Tests the apply method of the data set."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @staticmethod
+    def regularFunc(props, *args, **kwargs):
+        df = pd.DataFrame(props)
+        for idx, arg in enumerate(args):
+            df[f"arg_{idx}"] = arg
+        for key, value in kwargs.items():
+            df[key] = value
+        return df
+
+    @parameterized.expand([(None, None), (2, None), (None, 50), (2, 50)])
+    def testRegular(self, n_jobs, chunk_size):
+        dataset = self.createLargeTestDataSet()
+        dataset.nJobs = n_jobs
+        dataset.chunkSize = chunk_size
+        result = dataset.apply(
+            self.regularFunc,
+            on_props=["CL", "fu"],
+            func_args=[1, 2, 3],
+            func_kwargs={"A_col": "A", "B_col": "B"},
+        )
+        for item in result:
+            self.assertIsInstance(item, pd.DataFrame)
+            self.assertTrue("CL" in item.columns)
+            self.assertTrue("fu" in item.columns)
+            self.assertTrue("A_col" in item.columns)
+            self.assertTrue("B_col" in item.columns)
+            self.assertTrue("arg_0" in item.columns)
+            self.assertTrue("arg_1" in item.columns)
+            self.assertTrue("arg_2" in item.columns)
+            self.assertTrue(all(item["arg_0"] == 1))
+            self.assertTrue(all(item["arg_1"] == 2))
+            self.assertTrue(all(item["arg_2"] == 3))
+            self.assertTrue(all(item["A_col"] == "A"))
+            self.assertTrue(all(item["B_col"] == "B"))
diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.cv.tsv b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.cv.tsv
deleted file mode 100644
index 3c614bf2..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.cv.tsv
+++ /dev/null
@@ -1,180 +0,0 @@
-	Label	Score	0	1	2	Fold
-0	1	1	0.14880843905937471	0.6297633429849636	0.22142821795566164	0.0
-1	1	1	0.10583974128025345	0.56937337728213	0.3247868814376165	0.0
-2	1	1	0.1083561097048955	0.6037167701046174	0.2879271201904867	0.0
-3	1	1	0.1505749604705263	0.6400109376994805	0.20941410182999337	0.0
-4	1	1	0.10590749245979807	0.6064135153746402	0.28767899216556164	0.0
-5	2	1	0.11072702295422389	0.5787809075126301	0.3104920695331462	0.0
-6	2	1	0.1055673705096774	0.5797908436213004	0.31464178586902203	0.0
-7	1	1	0.1271873174811787	0.6064557431242598	0.2663569393945616	0.0
-8	1	1	0.10047122302568544	0.5930385501678405	0.30649022680647414	0.0
-9	2	1	0.09779860974701607	0.5378850785691622	0.3643163116838216	0.0
-10	2	1	0.10790773375556088	0.5553250905894206	0.33676717565501824	0.0
-11	2	1	0.11090689140703199	0.5844993204801415	0.3045937881128266	0.0
-12	0	1	0.13712677019479277	0.6454791429927903	0.2173940868124167	0.0
-13	2	1	0.10266940660953723	0.5927568283669885	0.3045737650234743	0.0
-14	0	1	0.09740138535793989	0.590194280970885	0.3124043336711751	0.0
-15	1	1	0.09098923642325411	0.5938643568779016	0.31514640669884403	0.0
-16	2	1	0.07047352486577341	0.6146546169023	0.31487185823192637	0.0
-17	0	1	0.006283268404288566	0.9178516506909943	0.07586508090471716	0.0
-18	2	1	0.09842538972071413	0.5810336652286318	0.32054094505065367	0.0
-19	0	1	0.11801685185107891	0.5845163728708643	0.29746677527805665	0.0
-20	1	1	0.10985768011537834	0.600062943146197	0.29007937673842465	0.0
-21	2	1	0.10737189519790076	0.5563196357390271	0.33630846906307194	0.0
-22	1	1	0.10713281580120969	0.5889578944836699	0.3039092897151206	0.0
-23	1	1	0.08669126664967751	0.5654876341362188	0.347821099214104	0.0
-24	2	1	0.1089596869758405	0.6094698620087659	0.28157045101539363	0.0
-25	1	2	0.16723105508319727	0.11529871309274323	0.7174702318240593	0.0
-26	1	1	0.11243648248341676	0.5850349747091466	0.3025285428074366	0.0
-27	2	1	0.11827063351368108	0.5858205123919457	0.29590885409437334	0.0
-28	1	1	0.17891142859188994	0.6533451613859477	0.1677434100221621	0.0
-29	1	1	0.10350437312861932	0.5808868897895982	0.3156087370817825	0.0
-30	1	1	0.10027302411592429	0.5905165902856329	0.309210385598443	0.0
-31	2	1	0.11899547470947172	0.5756342000719226	0.3053703252186057	1.0
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diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.ind.tsv b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.ind.tsv
deleted file mode 100644
index af22bd05..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.ind.tsv
+++ /dev/null
@@ -1,21 +0,0 @@
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diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.json b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.json
deleted file mode 100644
index a058d867..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS.json
+++ /dev/null
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diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_descriptor_calculator.json b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_descriptor_calculator.json
deleted file mode 100644
index 40a12040..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_descriptor_calculator.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_feature_standardizer.json b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_feature_standardizer.json
deleted file mode 100644
index 6c8f0fbb..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_feature_standardizer.json
+++ /dev/null
@@ -1 +0,0 @@
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0.3477154551157024, 0.41499141350879554, 0.286828606891062, 0.2380446086899901, 0.4985775579824106, 0.2639985032475115, 0.24710132368129145, 0.2639985032475115, 0.22851893469149892, 0.24710132368129142, 0.21846296602295637, 0.30723208779161354, 0.22851893469149892, 0.21846296602295637, 0.23804460868999017, 0.22851893469149892, 0.3719271973861976, 0.2380446086899902, 0.22851893469149887, 0.2719145579591695, 0.30066885028445406, 0.24710132368129145, 0.2557389075376779, 0.2639985032475115, 0.24710132368129145, 0.23804460868999017, 0.4149914135087955, 0.22851893469149892, 0.24710132368129145, 0.21846296602295637, 0.3719271973861976, 0.30066885028445406, 0.24710132368129142, 0.2639985032475115, 0.24710132368129145, 0.2380446086899901, 0.2380446086899901, 0.2380446086899901, 0.22851893469149895, 0.2639985032475115, 0.2380446086899901, 0.38071752612815707, 0.26399850324751145, 0.41156975335564366, 0.22851893469149892, 0.2380446086899901, 0.25573890753767786, 0.2380446086899902, 0.3072320877916135, 0.3477154551157024, 0.36735008809039327, 0.2938731963258984, 0.2639985032475115, 0.300668850284454, 0.2795162610085101, 0.2938731963258984, 0.2285189346914989, 0.25573890753767786, 0.2380446086899901, 0.2380446086899902, 0.2639985032475115, 0.2557389075376779, 0.21846296602295637, 0.24710132368129145, 0.48330110707716945, 0.22851893469149892, 0.2938731963258984, 0.2719145579591695, 0.33142979794655575, 0.24710132368129145, 0.2557389075376779, 0.22851893469149892, 0.21846296602295637, 0.4960387006734901, 0.4651431744886888, 0.3370207565247682, 0.22851893469149892], "n_samples_seen_": 199}
\ No newline at end of file
diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json
deleted file mode 100644
index aba91e56..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json
+++ /dev/null
@@ -1,10 +0,0 @@
-{
-    "name": "SVC_MULTICLASS",
-    "model_class": "qsprpred.models.sklearn.SklearnModel",
-    "version": "1.3.0.dev0",
-    "target_properties": [{"name":"CL_class", "task":"MULTICLASS", "th": [0,1,10,1200], "n_classes":3}],
-    "parameters_path": "SVC_MULTICLASS/SVC_MULTICLASS_params.json",
-    "feature_calculator_paths": ["SVC_MULTICLASS/SVC_MULTICLASS_descriptor_calculator.json"],
-    "feature_standardizer_path": "SVC_MULTICLASS/SVC_MULTICLASS_feature_standardizer.json",
-    "model_path": "SVC_MULTICLASS/SVC_MULTICLASS.json"
-}
\ No newline at end of file
diff --git a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_params.json b/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_params.json
deleted file mode 100644
index 85336424..00000000
--- a/qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_params.json
+++ /dev/null
@@ -1,4 +0,0 @@
-{
-    "C": 0.001,
-    "kernel": "poly"
-}
\ No newline at end of file
diff --git a/qsprpred/data/tests.py b/qsprpred/data/tests.py
deleted file mode 100644
index 9b64646d..00000000
--- a/qsprpred/data/tests.py
+++ /dev/null
@@ -1,1664 +0,0 @@
-"""This module holds the test for functions regarding QSPR data preparation."""
-
-import copy
-import itertools
-import logging
-import os
-import shutil
-from collections.abc import Iterable
-from unittest import TestCase
-
-import numpy as np
-import pandas as pd
-from parameterized import parameterized
-from rdkit import Chem
-from rdkit.Chem import Descriptors
-from sklearn.impute import SimpleImputer
-from sklearn.preprocessing import MinMaxScaler, StandardScaler
-
-from ..logs.stopwatch import StopWatch
-from ..models.sklearn import SklearnModel
-from ..models.tasks import TargetTasks
-from .data import QSPRDataset, TargetProperty
-from .utils.data_clustering import (
-    FPSimilarityLeaderPickerClusters,
-    FPSimilarityMaxMinClusters,
-)
-from .utils.datafilters import CategoryFilter, RepeatsFilter
-from .utils.datasplitters import (
-    ClusterSplit,
-    ManualSplit,
-    RandomSplit,
-    ScaffoldSplit,
-    TemporalSplit,
-)
-from .utils.descriptorcalculator import (
-    CustomDescriptorsCalculator,
-    DescriptorsCalculator,
-    MoleculeDescriptorsCalculator,
-)
-from .utils.descriptorsets import (
-    DataFrameDescriptorSet,
-    DescriptorSet,
-    DrugExPhyschem,
-    FingerprintSet,
-    PredictorDesc,
-    RDKitDescs,
-    SmilesDesc,
-    TanimotoDistances,
-)
-from .utils.feature_standardization import SKLearnStandardizer
-from .utils.featurefilters import BorutaFilter, HighCorrelationFilter, LowVarianceFilter
-from .utils.scaffolds import BemisMurcko, Murcko
-
-N_CPU = 2
-CHUNK_SIZE = 100
-TIME_SPLIT_YEAR = 2000
-logging.basicConfig(level=logging.DEBUG)
-
-
-class PathMixIn:
-    """Mix-in class that provides paths to test files and directories and handles their
-    creation and deletion.
-
-    Attributes:
-        generatedPath (str):
-            path to the directory where generated files are stored, this directory is
-            created before and cleared after each test
-
-    """
-    def setUp(self):
-        """Create the directories that are used for testing."""
-        self.generatedPath = f"{os.path.dirname(__file__)}/test_files/generated"
-        self.clearGenerated()
-        if not os.path.exists(self.generatedPath):
-            os.makedirs(self.generatedPath)
-
-    def tearDown(self):
-        """Remove all files and directories that are used for testing."""
-        self.clearGenerated()
-
-    def clearGenerated(self):
-        """Remove the directories that are used for testing."""
-        if os.path.exists(self.generatedPath):
-            shutil.rmtree(self.generatedPath)
-
-
-class DataSetsMixIn(PathMixIn):
-    """Mix-in class that provides a small and large testing data set and some common
-    preparation settings to use in tests."""
-    def setUp(self):
-        """Create the directories that are used for testing."""
-        super().setUp()
-        self.inputDataPath = f"{os.path.dirname(__file__)}/test_files/data"
-        self.generatedDataPath = f"{self.generatedPath}/datasets"
-        if not os.path.exists(self.generatedDataPath):
-            os.makedirs(self.generatedDataPath)
-
-    @staticmethod
-    def getDefaultPrep():
-        """Return a dictionary with default preparation settings."""
-        return {
-            "feature_calculators":
-                [
-                    MoleculeDescriptorsCalculator(
-                        [
-                            FingerprintSet(
-                                fingerprint_type="MorganFP", radius=2, nBits=256
-                            )
-                        ]
-                    )
-                ],
-            "split": RandomSplit(test_fraction=0.1),
-            "feature_standardizer": StandardScaler(),
-            "feature_filters": [LowVarianceFilter(0.05),
-                                HighCorrelationFilter(0.8)],
-        }
-
-    @classmethod
-    def getAllDescriptors(cls):
-        """Return a list of (ideally) all available descriptor sets. For now
-        they need to be added manually to the list below.
-
-        TODO: would be nice to create the list automatically by implementing a
-        descriptor set registry that would hold all installed descriptor sets.
-
-        Returns:
-            list: `list` of `DescriptorCalculator` objects
-        """
-        descriptor_sets = [
-            RDKitDescs(),
-            DrugExPhyschem(),
-            PredictorDesc(
-                SklearnModel.fromFile(
-                    f"{os.path.dirname(__file__)}/test_files/test_predictor/"
-                    f"qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json"
-                )
-            ),
-            TanimotoDistances(
-                list_of_smiles=["C", "CC", "CCC"],
-                fingerprint_type="MorganFP",
-                radius=3,
-                nBits=1000,
-            ),
-            FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=2048),
-        ]
-
-        return descriptor_sets
-
-    @classmethod
-    def getDefaultCalculatorCombo(cls):
-        """
-        Makes a list of default descriptor calculators that can be used in tests.
-        It creates a calculator with only morgan fingerprints and rdkit descriptors,
-        but also one with them both to test behaviour with multiple descriptor sets.
-        Override this method if you want to test with other descriptor sets and
-        calculator combinations.
-
-        Returns:
-            list: `list` of created `DescriptorCalculator` objects
-        """
-        feature_sets = [
-            FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1024),
-            RDKitDescs(),
-        ]
-        mol_descriptor_calculators = [
-            [MoleculeDescriptorsCalculator(combo)]
-            for combo in itertools.combinations(feature_sets, 1)
-        ] + [
-            [MoleculeDescriptorsCalculator(combo)]
-            for combo in itertools.combinations(feature_sets, 2)
-        ]
-        return mol_descriptor_calculators
-
-    @classmethod
-    def getDataPrepGrid(cls):
-        """Return a list of many possible combinations of descriptor calculators,
-        splits, feature standardizers, feature filters and data filters. Again, this is
-        not exhaustive, but should cover a lot of cases.
-
-        Returns:
-            grid:
-                a generator that yields tuples of all possible combinations as stated
-                above, each tuple is defined as: (descriptor_calculator, split,
-                feature_standardizer, feature_filters, data_filters)
-        """
-        # get the feature calculators
-        descriptor_calculators = cls.getDefaultCalculatorCombo()
-        # lists with common preparation settings
-        splits = [None, RandomSplit(0.1)]
-        feature_standardizers = [None, StandardScaler()]
-        feature_filters = [None, HighCorrelationFilter(0.9)]
-        data_filters = [
-            None,
-            RepeatsFilter(),
-            # FIXME: this needs to be made more general and not specific to one dataset
-            # CategoryFilter(
-            #     name="moka_ionState7.4",
-            #     values=["cationic"]
-            # ),
-        ]
-        # All combinations of the above preparation settings (passed to prepareDataset)
-        return (
-            # deep copy to avoid conflicts cayed by operating on one instance twice
-            copy.deepcopy(combo) for combo in itertools.product(
-                descriptor_calculators,
-                splits,
-                feature_standardizers,
-                feature_filters,
-                data_filters,
-            )
-        )
-
-    @staticmethod
-    def getPrepCombos():
-        """
-        Return a list of all possible preparation combinations as generated by
-        `getDataPrepGrid` as well as their names. The generated list can be used
-        to parameterize tests with the given named combinations.
-
-        Returns:
-            list: `list` of `list`s of all possible combinations of preparation
-        """
-        def get_name(obj: object):
-            """
-            Get the name of a data preparation object,
-            or its class name if it is not a string.
-
-            Args:
-                obj: the object to get name for
-
-            Returns:
-                str: the generated name of the object
-            """
-            return (
-                str(None) if obj is None else obj.__class__.__name__ if
-                (not isinstance(obj, (DescriptorsCalculator,
-                                      SKLearnStandardizer))) else str(obj)
-            )
-
-        def get_name_list(obj: Iterable | object):
-            """
-            Parse an iterable of data preparation objects and return a string.
-            Note that the method proceeds recursively so nested iterables are also
-            parsed.
-
-            Args:
-                obj: the object or an iterable of objects to get name for
-
-            Returns:
-                str: the generated name of the object or a list of objects
-            """
-            if isinstance(obj, Iterable):
-                return "_".join([get_name_list(i) for i in obj])
-            else:
-                return get_name(obj)
-
-        ret = [
-            2 * [get_name_list(x)] + list(x) for x in DataSetsMixIn.getDataPrepGrid()
-        ]
-        return ret
-
-    def getBigDF(self):
-        """Get a large data frame for testing purposes.
-
-        Returns:
-            pd.DataFrame: a `pandas.DataFrame` containing the dataset
-        """
-        return pd.read_csv(f"{self.inputDataPath}/test_data_large.tsv", sep="\t")
-
-    def getSmallDF(self):
-        """Get a small data frame for testing purposes.
-
-        Returns:
-            pd.DataFrame: a `pandas.DataFrame` containing the dataset
-        """
-        return pd.read_csv(f"{self.inputDataPath}/test_data.tsv", sep="\t").sample(10)
-
-    def createLargeTestDataSet(
-        self,
-        name="QSPRDataset_test_large",
-        target_props=[{
-            "name": "CL",
-            "task": TargetTasks.REGRESSION
-        }],
-        target_imputer=None,
-        preparation_settings=None,
-    ):
-        """Create a large dataset for testing purposes.
-
-        Args:
-            name (str): name of the dataset
-            target_props (List of dicts or TargetProperty): list of target properties
-            preparation_settings (dict): dictionary containing preparation settings
-
-        Returns:
-            QSPRDataset: a `QSPRDataset` object
-        """
-        return self.createTestDataSetFromFrame(
-            self.getBigDF(),
-            name=name,
-            target_props=target_props,
-            target_imputer=target_imputer,
-            prep=preparation_settings,
-        )
-
-    def createSmallTestDataSet(
-        self,
-        name="QSPRDataset_test_small",
-        target_props=[{
-            "name": "CL",
-            "task": TargetTasks.REGRESSION
-        }],
-        target_imputer=None,
-        preparation_settings=None,
-    ):
-        """Create a small dataset for testing purposes.
-
-        Args:
-            name (str): name of the dataset
-            target_props (List of dicts or TargetProperty): list of target properties
-            preparation_settings (dict): dictionary containing preparation settings
-
-        Returns:
-            QSPRDataset: a `QSPRDataset` object
-        """
-        return self.createTestDataSetFromFrame(
-            self.getSmallDF(),
-            name=name,
-            target_props=target_props,
-            target_imputer=target_imputer,
-            prep=preparation_settings,
-        )
-
-    def createTestDataSetFromFrame(
-        self,
-        df,
-        name="QSPRDataset_test",
-        target_props=[{
-            "name": "CL",
-            "task": TargetTasks.REGRESSION
-        }],
-        target_imputer=None,
-        prep=None,
-    ):
-        """Create a dataset for testing purposes from the given data frame.
-
-        Args:
-            df (pd.DataFrame): data frame containing the dataset
-            name (str): name of the dataset
-            target_props (List of dicts or TargetProperty): list of target properties
-            prep (dict): dictionary containing preparation settings
-
-        Returns:
-            QSPRDataset: a `QSPRDataset` object
-        """
-        ret = QSPRDataset(
-            name,
-            target_props=target_props,
-            df=df,
-            store_dir=self.generatedDataPath,
-            target_imputer=target_imputer,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        if prep:
-            ret.prepareDataset(**prep)
-        return ret
-
-    def createLargeMultitaskDataSet(
-        self,
-        name="QSPRDataset_multi_test",
-        target_props=[
-            {
-                "name": "HBD",
-                "task": TargetTasks.MULTICLASS,
-                "th": [-1, 1, 2, 100]
-            },
-            {
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            },
-        ],
-        target_imputer=None,
-        preparation_settings=None,
-    ):
-        """Create a large dataset for testing purposes.
-
-        Args:
-            name (str): name of the dataset
-            target_props (List of dicts or TargetProperty): list of target properties
-            preparation_settings (dict): dictionary containing preparation settings
-
-        Returns:
-            QSPRDataset: a `QSPRDataset` object
-        """
-        return self.createTestDataSetFromFrame(
-            self.getBigDF(),
-            name=name,
-            target_props=target_props,
-            target_imputer=target_imputer,
-            prep=preparation_settings,
-        )
-
-    def validate_split(self, dataset):
-        """Check if the split has the data it should have after splitting."""
-        self.assertTrue(dataset.X is not None)
-        self.assertTrue(dataset.X_ind is not None)
-        self.assertTrue(dataset.y is not None)
-        self.assertTrue(dataset.y_ind is not None)
-
-
-class DescriptorCheckMixIn:
-    """Mixin class for common descriptor checks."""
-    def checkFeatures(self, ds: QSPRDataset, expected_length: int):
-        """Check if the feature names and the feature matrix of a data set is consistent
-        with expected number of variables.
-
-        Args:
-            ds (QSPRDataset): The data set to check.
-            expected_length (int): The expected number of features.
-
-        Raises:
-            AssertionError: If the feature names or the feature matrix is not consistent
-        """
-        self.assertEqual(len(ds.featureNames), expected_length)
-        self.assertEqual(len(ds.getFeatureNames()), expected_length)
-        if expected_length > 0:
-            features = ds.getFeatures(concat=True)
-            self.assertEqual(features.shape[0], len(ds))
-            self.assertEqual(features.shape[1], expected_length)
-            self.assertEqual(ds.X.shape[1], expected_length)
-            self.assertEqual(ds.X_ind.shape[1], expected_length)
-            for fold in ds.createFolds():
-                self.assertIsInstance(fold, tuple)
-                self.assertEqual(fold[0].shape[1], expected_length)
-                self.assertEqual(fold[1].shape[1], expected_length)
-        else:
-            self.assertEqual(ds.X.shape[1], expected_length)
-            self.assertEqual(ds.X_ind.shape[1], expected_length)
-            self.assertRaises(ValueError, ds.getFeatures, concat=True)
-            self.assertRaises(ValueError, ds.createFolds)
-
-    def checkDescriptors(
-        self, dataset: QSPRDataset, target_props: list[dict | TargetProperty]
-    ):
-        """
-        Check if information about descriptors is consistent in the data set. Checks
-        if calculators are consistent with the descriptors contained in the data set.
-        This is tested also before and after serialization.
-
-        Args:
-            dataset (QSPRDataset): The data set to check.
-            target_props (List of dicts or TargetProperty): list of target properties
-
-        Raises:
-            AssertionError: If the consistency check fails.
-
-        """
-
-        # test some basic consistency rules on the resulting features
-        expected_length = 0
-        for calc in dataset.descriptorCalculators:
-            for descset in calc.descSets:
-                expected_length += len(descset.descriptors)
-        self.checkFeatures(dataset, expected_length)
-        # save to file, check if it can be loaded, and if the features are consistent
-        dataset.save()
-        ds_loaded = dataset.__class__.fromFile(
-            dataset.storePath, n_jobs=N_CPU, chunk_size=CHUNK_SIZE
-        )
-        for ds_loaded_prop, target_prop in zip(
-            ds_loaded.targetProperties, target_props
-        ):
-            if ds_loaded_prop.task.isClassification():
-                self.assertEqual(ds_loaded_prop.name, f"{target_prop['name']}_class")
-                self.assertEqual(ds_loaded_prop.task, target_prop["task"])
-        self.assertTrue(ds_loaded.descriptorCalculators)
-        for calc in ds_loaded.descriptorCalculators:
-            self.assertTrue(isinstance(calc, DescriptorsCalculator))
-            for descset in calc.descSets:
-                self.assertTrue(isinstance(descset, DescriptorSet))
-        self.checkFeatures(dataset, expected_length)
-
-
-class TestDataSetCreationSerialization(DataSetsMixIn, TestCase):
-    """Simple tests for dataset creation and serialization under different conditions
-    and error states."""
-    def checkConsistency(self, ds: QSPRDataset):
-        self.assertNotIn("Notes", ds.getProperties())
-        self.assertNotIn("HBD", ds.getProperties())
-        self.assertTrue(len(self.getSmallDF()) - 1 == len(ds))
-        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
-        self.assertTrue(ds.hasProperty("CL"))
-        self.assertEqual(ds.targetProperties[0].name, "CL")
-        self.assertEqual(ds.targetProperties[0].originalName, "CL")
-        self.assertEqual(len(ds.X), len(ds))
-        self.assertEqual(len(ds.X_ind), 0)
-        self.assertEqual(len(ds.y), len(ds))
-        self.assertEqual(len(ds.y_ind), 0)
-
-    def checkConsistencyMulticlass(self, ds):
-        self.assertTrue(ds.isMultiTask)
-        self.assertEqual(ds.nTasks, 2)
-        self.assertEqual(len(ds.targetProperties), 2)
-        self.assertEqual(ds.targetProperties[0].name, "CL")
-        self.assertEqual(ds.targetProperties[1].name, "fu")
-        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
-        self.assertEqual(ds.targetProperties[1].task, TargetTasks.REGRESSION)
-        self.assertEqual(len(ds.X), len(ds))
-        self.assertEqual(len(ds.y), len(ds))
-        self.assertEqual(len(ds.y.columns), 2)
-        self.assertEqual(ds.y.columns[0], "CL")
-        self.assertEqual(ds.y.columns[1], "fu")
-
-    def checkConsistencySingleclass(self, ds):
-        self.assertFalse(ds.isMultiTask)
-        self.assertEqual(ds.nTasks, 1)
-        self.assertEqual(len(ds.targetProperties), 1)
-        self.assertEqual(ds.targetProperties[0].name, "CL")
-        self.assertEqual(ds.targetProperties[0].task, TargetTasks.REGRESSION)
-        self.assertEqual(len(ds.X), len(ds))
-        self.assertEqual(len(ds.y), len(ds))
-        self.assertEqual(len(ds.y.columns), 1)
-        self.assertEqual(ds.y.columns[0], "CL")
-
-    def checkBadInit(self, ds):
-        with self.assertRaises(AssertionError):
-            ds.makeClassification("CL", [])
-        with self.assertRaises(AssertionError):
-            ds.makeClassification("CL", th=6.5)
-        with self.assertRaises(AssertionError):
-            ds.makeClassification("CL", th=[0, 2, 3])
-        with self.assertRaises(AssertionError):
-            ds.makeClassification("CL", th=[0, 2, 3])
-
-    def checkClassification(self, ds, target_names, ths):
-        # Test that the dataset properties are correctly initialized
-        for idx, target_prop in enumerate(ds.targetProperties):
-            if len(ths[idx]) == 1:
-                self.assertEqual(target_prop.task, TargetTasks.SINGLECLASS)
-            else:
-                self.assertEqual(target_prop.task, TargetTasks.MULTICLASS)
-            self.assertEqual(target_prop.name, f"{target_names[idx]}_class")
-            self.assertEqual(target_prop.originalName, f"{target_names[idx]}")
-            y = ds.getTargetPropertiesValues(concat=True)
-            self.assertTrue(y.columns[idx] == target_prop.name)
-            if target_prop.task == TargetTasks.SINGLECLASS:
-                self.assertEqual(y[target_prop.name].unique().shape[0], 2)
-            else:
-                self.assertEqual(
-                    y[target_prop.name].unique().shape[0], (len(ths[idx]) - 1)
-                )
-            self.assertEqual(target_prop.th, ths[idx])
-
-    def checkRegression(self, ds, target_names):
-        for idx, target_prop in enumerate(ds.targetProperties):
-            self.assertEqual(target_prop.task, TargetTasks.REGRESSION)
-            self.assertTrue(ds.hasProperty(target_names[idx]))
-            self.assertEqual(target_prop.name, target_names[idx])
-            self.assertEqual(target_prop.originalName, target_names[idx])
-            ds.getTargetPropertiesValues(concat=True)
-
-    def testDefaults(self):
-        """Test basic dataset creation and serialization with mostly default options."""
-        # create a basic regression data set
-        dataset = QSPRDataset(
-            "test_defaults",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        self.assertIn("HBD", dataset.getProperties())
-        dataset.removeProperty("HBD")
-        self.assertNotIn("HBD", dataset.getProperties())
-        stopwatch = StopWatch()
-        dataset.save()
-        stopwatch.stop("Saving took: ")
-        self.assertTrue(os.path.exists(dataset.storePath))
-        # load the data set again and check if everything is consistent after loading
-        # creation from file
-        stopwatch.reset()
-        dataset_new = QSPRDataset.fromFile(dataset.storePath)
-        stopwatch.stop("Loading from file took: ")
-        self.checkConsistency(dataset_new)
-        # creation by reinitialization
-        stopwatch.reset()
-        dataset_new = QSPRDataset(
-            "test_defaults",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        stopwatch.stop("Reinitialization took: ")
-        self.checkConsistency(dataset_new)
-        # creation from a table file
-        stopwatch.reset()
-        dataset_new = QSPRDataset.fromTableFile(
-            "test_defaults",
-            f"{os.path.dirname(__file__)}/test_files/data/test_data.tsv",
-            target_props=[{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        stopwatch.stop("Loading from table file took: ")
-        self.assertTrue(isinstance(dataset_new, QSPRDataset))
-        self.checkConsistency(dataset_new)
-        # creation from a table file with a new name
-        dataset_new = QSPRDataset.fromTableFile(
-            "test_defaults_new",  # new name implies HBD below should exist again
-            f"{os.path.dirname(__file__)}/test_files/data/test_data.tsv",
-            target_props=[{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        self.assertTrue(isinstance(dataset_new, QSPRDataset))
-        self.assertIn("HBD", dataset_new.getProperties())
-        dataset_new.removeProperty("HBD")
-        self.checkConsistency(dataset_new)
-
-    def testMultitask(self):
-        """Test multi-task dataset creation and functionality."""
-        dataset = QSPRDataset(
-            "testMultitask",
-            [
-                {
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                },
-                {
-                    "name": "fu",
-                    "task": TargetTasks.REGRESSION
-                },
-            ],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        # Check that the dataset is correctly initialized
-        self.checkConsistencyMulticlass(dataset)
-        # Check the dataset after dropping a task
-        dataset.dropTask("fu")
-        self.checkConsistencySingleclass(dataset)
-        with self.assertRaises(AssertionError):
-            dataset.dropTask("fu")
-        with self.assertRaises(AssertionError):
-            dataset.dropTask("CL")
-        # Check the dataset after adding a task
-        dataset.addTask({"name": "fu", "task": TargetTasks.REGRESSION})
-        self.checkConsistencyMulticlass(dataset)
-
-    def testTargetProperty(self):
-        """Test target property creation and serialization
-        in the context of a dataset.
-        """
-        dataset = QSPRDataset(
-            "testTargetProperty",
-            [
-                {
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                },
-                {
-                    "name": "fu",
-                    "task": TargetTasks.REGRESSION
-                },
-            ],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        # Check that the make classification method works as expected
-        self.checkBadInit(dataset)
-        dataset.makeClassification("CL", th=[6.5])
-        dataset.makeClassification("fu", th=[0.3])
-        self.checkClassification(dataset, ["CL", "fu"], [[6.5], [0.3]])
-        dataset.makeClassification("CL", th=[0, 15, 30, 60])
-        self.checkClassification(dataset, ["CL", "fu"], [[0, 15, 30, 60], [0.3]])
-        dataset.save()
-        # check precomputed threshold setting
-        dataset = QSPRDataset(
-            "testTargetProperty",
-            [{
-                "name": "CL_class",
-                "task": TargetTasks.MULTICLASS,
-                "th": "precomputed"
-            }],
-            df=dataset.df,
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        self.assertEqual(dataset.targetProperties[0].task, TargetTasks.MULTICLASS)
-        self.assertEqual(dataset.targetProperties[0].name, "CL_class_class")
-        self.assertEqual(dataset.targetProperties[0].nClasses, 3)
-        self.assertEqual(dataset.targetProperties[0].th, "precomputed")
-        # Check that the dataset is correctly loaded from file for classification
-        dataset_new = QSPRDataset.fromFile(dataset.storePath)
-        self.checkBadInit(dataset_new)
-        self.checkClassification(dataset_new, ["CL", "fu"], [[0, 15, 30, 60], [0.3]])
-        # Check that the make regression method works as expected
-        dataset_new.makeRegression(target_property="CL")
-        dataset_new.makeRegression(target_property="fu")
-        # Check that the dataset is correctly loaded from file for regression
-        self.checkRegression(dataset_new, ["CL", "fu"])
-        dataset_new.save()
-        dataset_new = QSPRDataset.fromFile(dataset.storePath)
-        self.checkRegression(dataset_new, ["CL", "fu"])
-
-    def testIndexing(self):
-        # default index
-        QSPRDataset(
-            "testTargetProperty",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        # set index to SMILES column
-        QSPRDataset(
-            "testTargetProperty",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-            index_cols=["SMILES"],
-        )
-        # multiindex
-        QSPRDataset(
-            "testTargetProperty",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=self.getSmallDF(),
-            store_dir=self.generatedDataPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-            index_cols=["SMILES", "Name"],
-        )
-        # index with duplicates
-        self.assertRaises(
-            ValueError,
-            lambda: QSPRDataset(
-                "testTargetProperty",
-                [{
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                }],
-                df=self.getSmallDF(),
-                store_dir=self.generatedDataPath,
-                n_jobs=N_CPU,
-                chunk_size=CHUNK_SIZE,
-                index_cols=["moka_ionState7.4"],
-            ),
-        )
-        # index has nans
-        self.assertRaises(
-            ValueError,
-            lambda: QSPRDataset(
-                "testTargetProperty",
-                [{
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                }],
-                df=self.getSmallDF(),
-                store_dir=self.generatedDataPath,
-                n_jobs=N_CPU,
-                chunk_size=CHUNK_SIZE,
-                index_cols=["fu"],
-            ),
-        )
-
-    @parameterized.expand([(1, ), (N_CPU, )])  # use one or more CPUs
-    def testInvalidsDetection(self, n_cpu):
-        df = self.getBigDF()
-        all_mols = len(df)
-        dataset = QSPRDataset(
-            "testInvalidsDetection",
-            [{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=df,
-            store_dir=self.generatedDataPath,
-            drop_invalids=False,
-            drop_empty=False,
-            n_jobs=n_cpu,
-        )
-        self.assertEqual(dataset.df.shape[0], df.shape[0])
-        self.assertRaises(ValueError, lambda: dataset.checkMols())
-        self.assertRaises(
-            ValueError,
-            lambda: dataset.addDescriptors(
-                MoleculeDescriptorsCalculator(
-                    [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1024)]
-                )
-            ),
-        )
-        invalids = dataset.checkMols(throw=False)
-        self.assertEqual(sum(~invalids), 1)
-        dataset.dropInvalids()
-        self.assertEqual(dataset.df.shape[0], all_mols - 1)
-
-
-class TestTargetProperty(TestCase):
-    """Test the TargetProperty class."""
-    def checkTargetProperty(self, target_prop, name, task, original_name, th):
-        # Check the target property creation consistency
-        self.assertEqual(target_prop.name, name)
-        self.assertEqual(target_prop.task, task)
-        self.assertEqual(target_prop.originalName, original_name)
-        if task.isClassification():
-            self.assertTrue(target_prop.task.isClassification())
-            self.assertEqual(target_prop.th, th)
-
-    def testTargetProperty(self):
-        """Check the TargetProperty class on target
-        property creation and serialization.
-        """
-        # Check the different task types
-        targetprop = TargetProperty("CL", TargetTasks.REGRESSION)
-        self.checkTargetProperty(targetprop, "CL", TargetTasks.REGRESSION, "CL", None)
-        targetprop = TargetProperty("CL", TargetTasks.MULTICLASS, th=[0, 1, 10, 1200])
-        self.checkTargetProperty(
-            targetprop, "CL", TargetTasks.MULTICLASS, "CL", [0, 1, 10, 1200]
-        )
-        targetprop = TargetProperty("CL", TargetTasks.SINGLECLASS, th=[5])
-        self.checkTargetProperty(targetprop, "CL", TargetTasks.SINGLECLASS, "CL", [5])
-        # check with precomputed values
-        targetprop = TargetProperty(
-            "CL", TargetTasks.SINGLECLASS, th="precomputed", n_classes=2
-        )
-        self.checkTargetProperty(
-            targetprop, "CL", TargetTasks.SINGLECLASS, "CL", "precomputed"
-        )
-        # Check from dictionary creation
-        targetprop = TargetProperty.fromDict(
-            {
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }
-        )
-        self.checkTargetProperty(targetprop, "CL", TargetTasks.REGRESSION, "CL", None)
-        targetprop = TargetProperty.fromDict(
-            {
-                "name": "CL",
-                "task": TargetTasks.MULTICLASS,
-                "th": [0, 1, 10, 1200]
-            }
-        )
-        self.checkTargetProperty(
-            targetprop, "CL", TargetTasks.MULTICLASS, "CL", [0, 1, 10, 1200]
-        )
-        # Check from list creation, selection and serialization support functions
-        targetprops = TargetProperty.fromList(
-            [
-                {
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                },
-                {
-                    "name": "fu",
-                    "task": TargetTasks.REGRESSION
-                },
-            ]
-        )
-        self.checkTargetProperty(
-            targetprops[0], "CL", TargetTasks.REGRESSION, "CL", None
-        )
-        self.checkTargetProperty(
-            targetprops[1], "fu", TargetTasks.REGRESSION, "fu", None
-        )
-        self.assertEqual(
-            TargetProperty.selectFromList(targetprops, "CL")[0], targetprops[0]
-        )
-        self.assertListEqual(TargetProperty.getNames(targetprops), ["CL", "fu"])
-        targetprops = TargetProperty.toList(targetprops)
-        self.assertIsInstance(targetprops, list)
-        self.assertIsInstance(targetprops[0], dict)
-        self.assertEqual(targetprops[0]["name"], "CL")
-        self.assertEqual(targetprops[0]["task"], TargetTasks.REGRESSION)
-
-
-class TestDataSplitters(DataSetsMixIn, TestCase):
-    """Small tests to only check if the data splitters work on their own.
-
-    The tests here should be used to check for all their specific parameters and edge
-    cases."""
-    def testManualSplit(self):
-        """Test the manual split function, where the split is done manually."""
-        dataset = self.createLargeTestDataSet()
-        # Add extra column to the data frame to use for splitting
-        dataset.df["split"] = "train"
-        dataset.df.loc[dataset.df.sample(frac=0.1).index, "split"] = "test"
-        split = ManualSplit(dataset.df["split"], "train", "test")
-        dataset.prepareDataset(split=split)
-        self.validate_split(dataset)
-
-    @parameterized.expand([
-        (False, ),
-        (True, ),
-    ])
-    def testRandomSplit(self, multitask):
-        """Test the random split function."""
-        if multitask:
-            dataset = self.createLargeMultitaskDataSet()
-        else:
-            dataset = self.createLargeTestDataSet()
-        dataset = self.createLargeTestDataSet()
-        dataset.prepareDataset(split=RandomSplit(test_fraction=0.1))
-        self.validate_split(dataset)
-
-    @parameterized.expand([
-        (False, ),
-        (True, ),
-    ])
-    def testTemporalSplit(self, multitask):
-        """Test the temporal split function, where the split is done based on a time
-        property."""
-        if multitask:
-            dataset = self.createLargeMultitaskDataSet()
-        else:
-            dataset = self.createLargeTestDataSet()
-        split = TemporalSplit(
-            timesplit=TIME_SPLIT_YEAR,
-            timeprop="Year of first disclosure",
-        )
-
-        dataset.prepareDataset(split=split)
-        self.validate_split(dataset)
-        # test if dates higher than 2000 are in test set
-        self.assertTrue(
-            sum(dataset.X_ind["Year of first disclosure"] > TIME_SPLIT_YEAR) ==
-            len(dataset.X_ind)
-        )
-
-    @parameterized.expand(
-        [
-            (False, Murcko(), None),
-            (False, BemisMurcko(), ["ScaffoldSplit_0", "ScaffoldSplit_1"]),
-            (True, Murcko(), None),
-        ]
-    )
-    def testScaffoldSplit(self, multitask, scaffold, custom_test_list):
-        """Test the scaffold split function."""
-        if multitask:
-            dataset = self.createLargeMultitaskDataSet(name="ScaffoldSplit")
-        else:
-            dataset = self.createLargeTestDataSet(name="ScaffoldSplit")
-        split = ScaffoldSplit(
-            scaffold=scaffold,
-            custom_test_list=custom_test_list,
-        )
-        dataset.prepareDataset(split=split)
-        self.validate_split(dataset)
-        # check that smiles in custom_test_list are in the test set
-        if custom_test_list:
-            self.assertTrue(
-                all(mol_id in dataset.X_ind.index for mol_id in custom_test_list)
-            )
-
-    @parameterized.expand(
-        [
-            (False, FPSimilarityLeaderPickerClusters(), None),
-            (False, FPSimilarityMaxMinClusters(), ["ClusterSplit_0", "ClusterSplit_1"]),
-            (True, FPSimilarityMaxMinClusters(), None),
-            (
-                True,
-                FPSimilarityLeaderPickerClusters(),
-                ["ClusterSplit_0", "ClusterSplit_1"],
-            ),
-        ]
-    )
-    def testClusterSplit(self, multitask, clustering_algorithm, custom_test_list):
-        """Test the cluster split function."""
-        if multitask:
-            dataset = self.createLargeMultitaskDataSet(name="ClusterSplit")
-        else:
-            dataset = self.createLargeTestDataSet(name="ClusterSplit")
-        split = ClusterSplit(
-            clustering=clustering_algorithm,
-            custom_test_list=custom_test_list,
-            time_limit_seconds=10,
-        )
-        dataset.prepareDataset(split=split)
-        self.validate_split(dataset)
-        # check that smiles in custom_test_list are in the test set
-        if custom_test_list:
-            self.assertTrue(
-                all(mol_id in dataset.X_ind.index for mol_id in custom_test_list)
-            )
-
-    def testSerialization(self):
-        """Test the serialization of dataset with datasplit."""
-        dataset = self.createLargeTestDataSet()
-        split = ScaffoldSplit()
-        N_BITS = 1024
-        calculator = MoleculeDescriptorsCalculator(
-            [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=N_BITS)]
-        )
-        dataset.prepareDataset(
-            split=split,
-            feature_calculators=[calculator],
-            feature_standardizer=StandardScaler(),
-        )
-        self.validate_split(dataset)
-        test_ids = dataset.X_ind.index.values
-        train_ids = dataset.y_ind.index.values
-        dataset.save()
-        dataset_new = QSPRDataset.fromFile(dataset.storePath)
-        self.validate_split(dataset_new)
-        self.assertTrue(dataset_new.descriptorCalculators)
-        self.assertTrue(dataset_new.feature_standardizer)
-        self.assertTrue(dataset_new.fold_generator.featureStandardizer)
-        self.assertTrue(len(dataset_new.featureNames) == N_BITS)
-        self.assertTrue(all(mol_id in dataset_new.X_ind.index for mol_id in test_ids))
-        self.assertTrue(all(mol_id in dataset_new.y_ind.index for mol_id in train_ids))
-        dataset_new.clearFiles()
-
-
-class TestFoldSplitters(DataSetsMixIn, TestCase):
-    """Small tests to only check if the fold splitters work on their own.
-
-    The tests here should be used to check for all their specific parameters and
-    edge cases."""
-    def validateFolds(self, dataset, more=None):
-        """Check if the folds have the data they should have after splitting."""
-        k = 0
-        for (
-            X_train,
-            X_test,
-            y_train,
-            y_test,
-            train_index,
-            test_index,
-        ) in dataset.createFolds():
-            k += 1
-            self.assertEqual(len(X_train), len(y_train))
-            self.assertEqual(len(X_test), len(y_test))
-            self.assertEqual(len(train_index), len(y_train))
-            self.assertEqual(len(test_index), len(y_test))
-            if more:
-                more(X_train, X_test, y_train, y_test, train_index, test_index)
-        self.assertEqual(k, 5)
-
-    def testDefaults(self):
-        """Test the default fold generator, which is a 5-fold cross validation."""
-        # test default settings with regression
-        dataset = self.createLargeTestDataSet()
-        dataset.addDescriptors(
-            MoleculeDescriptorsCalculator(
-                [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1024)]
-            )
-        )
-        self.validateFolds(dataset)
-        # test default settings with classification
-        dataset.makeClassification("CL", th=[20])
-        self.validateFolds(dataset)
-        # test with a standarizer
-        MAX_VAL = 2
-        MIN_VAL = 1
-        scaler = MinMaxScaler(feature_range=(MIN_VAL, MAX_VAL))
-        dataset.prepareDataset(feature_standardizer=scaler)
-
-        def check_min_max(X_train, X_test, *args, **kwargs):
-            self.assertTrue(np.max(X_train) == MAX_VAL)
-            self.assertTrue(np.min(X_train) == MIN_VAL)
-            self.assertTrue(np.max(X_test) == MAX_VAL)
-            self.assertTrue(np.min(X_test) == MIN_VAL)
-
-        self.validateFolds(dataset, more=check_min_max)
-
-
-class TestDataFilters(DataSetsMixIn, TestCase):
-    """Small tests to only check if the data filters work on their own.
-
-    The tests here should be used to check for all their specific parameters and
-    edge cases."""
-    def testCategoryFilter(self):
-        """Test the category filter, which drops specific values from dataset
-        properties."""
-        remove_cation = CategoryFilter(name="moka_ionState7.4", values=["cationic"])
-        df_anion = remove_cation(self.getBigDF())
-        self.assertTrue((df_anion["moka_ionState7.4"] == "cationic").sum() == 0)
-
-        only_cation = CategoryFilter(
-            name="moka_ionState7.4", values=["cationic"], keep=True
-        )
-        df_cation = only_cation(self.getBigDF())
-        self.assertTrue((df_cation["moka_ionState7.4"] != "cationic").sum() == 0)
-
-    def testRepeatsFilter(self):
-        """Test the duplicate filter, which drops rows with identical descriptors
-        from dataset."""
-        descriptor_names = [f"Descriptor_{i}" for i in range(3)]
-        df = pd.DataFrame(
-            data=np.array(
-                [
-                    ["C", 1, 2, 1, 1],
-                    ["CC", 1, 2, 2, 2],
-                    ["CCC", 1, 2, 3, 3],
-                    ["C", 1, 2, 1, 4],
-                    ["C", 1, 2, 1, 5],
-                    ["CC", 1, 2, 2, 6],  # 3rd descriptor is length of SMILES
-                ]
-            ),
-            columns=["SMILES", *descriptor_names, "Year"],
-        )
-        # only warnings
-        df_copy = copy.deepcopy(df)
-        dup_filter1 = RepeatsFilter(keep=True)
-        df_copy = dup_filter1(df_copy, df_copy[descriptor_names])
-        self.assertEqual(len(df_copy), len(df))
-        self.assertTrue(df_copy.equals(df))
-        # drop duplicates
-        df_copy = copy.deepcopy(df)
-        dup_filter2 = RepeatsFilter(keep=False)
-        df_copy = dup_filter2(df_copy, df_copy[descriptor_names])
-        self.assertEqual(len(df_copy), 1)  # only CCC has one occurence
-        self.assertTrue(df_copy.equals(df.iloc[[2]]))
-        # keep first, by year
-        df_copy = copy.deepcopy(df)
-        dup_filter3 = RepeatsFilter(keep="first", year_name="Year")
-        df_copy = dup_filter3(df_copy, df_copy[descriptor_names])
-        self.assertEqual(len(df_copy), 3)  # three unique SMILES
-        self.assertTrue(df_copy.equals(df.iloc[[0, 1, 2]]))  # keep first by year
-
-
-class TestTargetImputation(PathMixIn, TestCase):
-    """Small tests to only check if the target imputation works on its own."""
-    def setUp(self):
-        """Set up the test Dataframe."""
-        super().setUp()
-        self.descriptors = [
-            "Descriptor_F1",
-            "Descriptor_F2",
-            "Descriptor_F3",
-            "Descriptor_F4",
-            "Descriptor_F5",
-        ]
-        self.df = pd.DataFrame(
-            data=np.array(
-                [
-                    ["C", 1, 4, 2, 6, 2, 1, 2],
-                    ["C", 1, 8, 4, 2, 4, 1, 2],
-                    ["C", 1, 4, 3, 2, 5, 1, np.NaN],
-                    ["C", 1, 8, 4, 9, 8, 2, 2],
-                    ["C", 1, 4, 2, 3, 9, 2, 2],
-                    ["C", 1, 8, 4, 7, 12, 2, 2],
-                ]
-            ),
-            columns=["SMILES", *self.descriptors, "y", "z"],
-        )
-
-    def testImputation(self):
-        """Test the imputation of missing values in the target properties."""
-        self.dataset = QSPRDataset(
-            "TestImputation",
-            target_props=[
-                {
-                    "name": "y",
-                    "task": TargetTasks.REGRESSION
-                },
-                {
-                    "name": "z",
-                    "task": TargetTasks.REGRESSION
-                },
-            ],
-            df=self.df,
-            store_dir=self.generatedPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-            target_imputer=SimpleImputer(strategy="mean"),
-        )
-        self.assertEqual(self.dataset.targetProperties[0].originalName, "y")
-        self.assertEqual(self.dataset.targetProperties[1].originalName, "z")
-        self.assertEqual(self.dataset.targetProperties[0].name, "y_imputed")
-        self.assertEqual(self.dataset.targetProperties[1].name, "z_imputed")
-        self.assertEqual(self.dataset.df["z_imputed"].isna().sum(), 0)
-
-
-class TestFeatureFilters(PathMixIn, TestCase):
-    """Tests to check if the feature filters work on their own."""
-    def setUp(self):
-        """Set up the small test Dataframe."""
-        super().setUp()
-        descriptors = [
-            "Descriptor_F1",
-            "Descriptor_F2",
-            "Descriptor_F3",
-            "Descriptor_F4",
-            "Descriptor_F5",
-        ]
-        self.df_descriptors = pd.DataFrame(
-            data=np.array(
-                [
-                    [1, 4, 2, 6, 2],
-                    [1, 8, 4, 2, 4],
-                    [1, 4, 3, 2, 5],
-                    [1, 8, 4, 9, 8],
-                    [1, 4, 2, 3, 9],
-                    [1, 8, 4, 7, 12],
-                ]
-            ),
-            columns=descriptors,
-        )
-        self.df = pd.DataFrame(
-            data=np.array([["C", 1], ["C", 2], ["C", 3], ["C", 4], ["C", 5], ["C", 6]]),
-            columns=["SMILES", "y"],
-        )
-        self.dataset = QSPRDataset(
-            "TestFeatureFilters",
-            target_props=[{
-                "name": "y",
-                "task": TargetTasks.REGRESSION
-            }],
-            df=self.df,
-            store_dir=self.generatedPath,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        self.df_descriptors.index = self.dataset.df.index
-        calculator = CustomDescriptorsCalculator(
-            [DataFrameDescriptorSet(self.df_descriptors)]
-        )
-        self.dataset.addCustomDescriptors(calculator)
-        self.descriptors = self.dataset.featureNames
-
-    def testLowVarianceFilter(self):
-        """Test the low variance filter, which drops features with a variance below
-        a threshold."""
-        self.dataset.filterFeatures([LowVarianceFilter(0.01)])
-        # check if correct columns selected and values still original
-        self.assertListEqual(list(self.dataset.featureNames), self.descriptors[1:])
-        self.assertListEqual(list(self.dataset.X.columns), self.descriptors[1:])
-
-    def testHighCorrelationFilter(self):
-        """Test the high correlation filter, which drops features with a correlation
-        above a threshold."""
-        self.dataset.filterFeatures([HighCorrelationFilter(0.8)])
-        # check if correct columns selected and values still original
-        self.descriptors.pop(2)
-        self.assertListEqual(list(self.dataset.featureNames), self.descriptors)
-        self.assertListEqual(list(self.dataset.X.columns), self.descriptors)
-
-    def testBorutaFilter(self):
-        """Test the Boruta filter, which removes the features which are statistically as
-        relevant as random features."""
-        self.dataset.filterFeatures([BorutaFilter()])
-        # check if correct columns selected and values still original
-        self.assertListEqual(list(self.dataset.featureNames), self.descriptors[-1:])
-        self.assertListEqual(list(self.dataset.X.columns), self.descriptors[-1:])
-
-
-class TestDescriptorCalculation(DataSetsMixIn, TestCase):
-    """Test the calculation of descriptors."""
-    def setUp(self):
-        """Set up the test Dataframe."""
-        super().setUp()
-        self.dataset = self.createLargeTestDataSet(self.__class__.__name__)
-
-    def testSwitching(self):
-        """Test if the feature calculator can be switched to a new dataset."""
-        feature_calculator = MoleculeDescriptorsCalculator(
-            desc_sets=[
-                FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=2048),
-                DrugExPhyschem(),
-            ]
-        )
-        split = RandomSplit(test_fraction=0.1)
-        lv = LowVarianceFilter(0.05)
-        hc = HighCorrelationFilter(0.9)
-        self.dataset.prepareDataset(
-            split=split,
-            feature_calculators=[feature_calculator],
-            feature_filters=[lv, hc],
-            recalculate_features=True,
-            feature_fill_value=np.nan,
-        )
-        # create new dataset with different feature calculator
-        dataset_next = self.createLargeTestDataSet(self.__class__.__name__)
-        dataset_next.prepareDataset(
-            split=split,
-            feature_calculators=[feature_calculator],
-            feature_filters=[lv, hc],
-            recalculate_features=True,
-            feature_fill_value=np.nan,
-        )
-
-
-class TestDescriptorSets(DataSetsMixIn, TestCase):
-    """Test the descriptor sets."""
-    def setUp(self):
-        """Create the test Dataframe."""
-        super().setUp()
-        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
-        self.dataset.shuffle()
-
-    def testPredictorDescriptor(self):
-        """Test the PredictorDesc descriptor set."""
-        # give path to saved model parameters
-        meta_path = (
-            f"{os.path.dirname(__file__)}/test_files/test_predictor/"
-            "qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json"
-        )
-        model = SklearnModel.fromFile(meta_path)
-        desc_calc = MoleculeDescriptorsCalculator([PredictorDesc(model)])
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
-        self.assertTrue(self.dataset.X.any().any())
-        # test from file instantiation
-        desc_calc.toFile(f"{self.generatedDataPath}/test_calc.json")
-        desc_calc_file = MoleculeDescriptorsCalculator.fromFile(
-            f"{self.generatedDataPath}/test_calc.json"
-        )
-        self.dataset.addDescriptors(desc_calc_file, recalculate=True)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
-        self.assertTrue(self.dataset.X.any().any())
-
-    def testFingerprintSet(self):
-        """Test the fingerprint set descriptor calculator."""
-        desc_calc = MoleculeDescriptorsCalculator(
-            [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1000)]
-        )
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1000))
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-    def testTanimotoDistances(self):
-        """Test the Tanimoto distances descriptor calculator, which calculates the
-        Tanimoto distances between a list of SMILES."""
-        list_of_smiles = ["C", "CC", "CCC", "CCCC", "CCCCC", "CCCCCC", "CCCCCCC"]
-        desc_calc = MoleculeDescriptorsCalculator(
-            [
-                TanimotoDistances(
-                    list_of_smiles=list_of_smiles,
-                    fingerprint_type="MorganFP",
-                    radius=3,
-                    nBits=1000,
-                )
-            ]
-        )
-        self.dataset.addDescriptors(desc_calc)
-
-    def testDrugExPhyschem(self):
-        """Test the DrugExPhyschem descriptor calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([DrugExPhyschem()])
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 19))
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-    def testRDKitDescs(self):
-        """Test the rdkit descriptors calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([RDKitDescs()])
-        self.dataset.addDescriptors(desc_calc)
-        rdkit_desc_count = len(set(Descriptors._descList))
-        self.assertEqual(
-            self.dataset.X.shape,
-            (len(self.dataset), rdkit_desc_count)
-        )
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-        # with 3D
-        desc_calc = MoleculeDescriptorsCalculator([RDKitDescs(compute_3Drdkit=True)])
-        self.dataset.addDescriptors(desc_calc, recalculate=True)
-        self.assertEqual(
-            self.dataset.X.shape, (len(self.dataset), rdkit_desc_count + 10)
-        )
-
-    def testSmilesDesc(self):
-        """Test the smiles descriptors calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([SmilesDesc()])
-        self.dataset.addDescriptors(desc_calc)
-
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1))
-        self.assertTrue(self.dataset.X.any().any())
-
-    def testConsistency(self):
-        """Test if the descriptor calculator is consistent with the dataset."""
-        len_prev = len(self.dataset)
-        desc_calc = MoleculeDescriptorsCalculator(
-            [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1000)]
-        )
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(len_prev, len(self.dataset))
-        self.assertEqual(len_prev, len(self.dataset.getDescriptors()))
-        self.assertEqual(len_prev, len(self.dataset.X))
-        self.assertEqual(1000, self.dataset.getDescriptors().shape[1])
-        self.assertEqual(1000, self.dataset.X.shape[1])
-        self.assertEqual(1000, self.dataset.X_ind.shape[1])
-        self.assertEqual(1000, self.dataset.getFeatures(concat=True).shape[1])
-        self.assertEqual(len_prev, self.dataset.getFeatures(concat=True).shape[0])
-
-
-class TestScaffolds(DataSetsMixIn, TestCase):
-    """Test calculation of scaffolds."""
-    def setUp(self):
-        """Create a small dataset."""
-        super().setUp()
-        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
-
-    def testScaffoldAdd(self):
-        """Test the adding and getting of scaffolds."""
-        self.dataset.addScaffolds([Murcko()])
-        scaffs = self.dataset.getScaffolds()
-        self.assertEqual(scaffs.shape, (len(self.dataset), 1))
-        self.dataset.addScaffolds([Murcko()], add_rdkit_scaffold=True, recalculate=True)
-        scaffs = self.dataset.getScaffolds(includeMols=True)
-        self.assertEqual(scaffs.shape, (len(self.dataset), 2))
-        for mol in scaffs[f"Scaffold_{Murcko()}_RDMol"]:
-            self.assertTrue(isinstance(mol, Chem.rdchem.Mol))
-
-
-class TestFeatureStandardizer(DataSetsMixIn, TestCase):
-    """Test the feature standardizer."""
-    def setUp(self):
-        """Create a small test dataset with MorganFP descriptors."""
-        super().setUp()
-        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
-        self.dataset.addDescriptors(
-            MoleculeDescriptorsCalculator(
-                [FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=1000)]
-            )
-        )
-
-    def test_featurestandarizer(self):
-        """Test the feature standardizer fitting, transforming and serialization."""
-        scaler = SKLearnStandardizer.fromFit(self.dataset.X, StandardScaler())
-        scaled_features = scaler(self.dataset.X)
-        scaler.toFile(f"{self.generatedPath}/test_scaler.json")
-        scaler_fromfile = SKLearnStandardizer.fromFile(
-            f"{self.generatedPath}/test_scaler.json"
-        )
-        scaled_features_fromfile = scaler_fromfile(self.dataset.X)
-        self.assertIsInstance(scaled_features, np.ndarray)
-        self.assertEqual(scaled_features.shape, (len(self.dataset), 1000))
-        self.assertEqual(
-            np.array_equal(scaled_features, scaled_features_fromfile), True
-        )
-
-
-class TestStandardizers(DataSetsMixIn, TestCase):
-    """Test the standardizers."""
-    def testInvalidFilter(self):
-        """Test the invalid filter."""
-        df = self.getSmallDF()
-        orig_len = len(df)
-        mask = [False] * orig_len
-        mask[0] = True
-        df.loc[mask, "SMILES"] = "C(C)(C)(C)(C)(C)(C)(C)(C)(C)"  # bad valence example
-        dataset = QSPRDataset(
-            "standardization_test_invalid_filter",
-            df=df,
-            target_props=[{
-                "name": "CL",
-                "task": TargetTasks.REGRESSION
-            }],
-            drop_invalids=False,
-            drop_empty=False,
-        )
-        dataset.standardizeSmiles("chembl", drop_invalid=False)
-        self.assertEqual(len(dataset), len(df))
-        dataset.standardizeSmiles("chembl", drop_invalid=True)
-        self.assertEqual(len(dataset), orig_len - 1)
-
-
-class DataPrepTestMixIn(DescriptorCheckMixIn):
-    """Mixin for testing data preparation."""
-    def checkPrep(
-        self,
-        dataset,
-        feature_calculators,
-        split,
-        feature_standardizer,
-        feature_filter,
-        data_filter,
-        expected_target_props,
-    ):
-        """Check the consistency of the dataset after preparation."""
-        name = dataset.name
-        # if a split needs a dataset, give it one
-        if split and hasattr(split, "setDataSet"):
-            split.setDataSet(None)
-            self.assertRaises(ValueError, split.getDataSet)
-            split.setDataSet(dataset)
-            self.assertEquals(dataset, split.getDataSet())
-
-        # prepare the dataset and check consistency
-        dataset.prepareDataset(
-            feature_calculators=feature_calculators,
-            split=split if split else None,
-            feature_standardizer=feature_standardizer if feature_standardizer else None,
-            feature_filters=[feature_filter] if feature_filter else None,
-            datafilters=[data_filter] if data_filter else None,
-        )
-        expected_feature_count = len(dataset.featureNames)
-        self.checkFeatures(dataset, expected_feature_count)
-        # save the dataset
-        dataset.save()
-        # reload the dataset and check consistency again
-        dataset = dataset.__class__.fromFile(dataset.storePath)
-        self.assertEqual(dataset.name, name)
-        self.assertEqual(dataset.targetProperties[0].task, TargetTasks.REGRESSION)
-        for idx, prop in enumerate(expected_target_props):
-            self.assertEqual(dataset.targetProperties[idx].name, prop)
-        for calc in dataset.descriptorCalculators:
-            self.assertIsInstance(calc, DescriptorsCalculator)
-        if feature_standardizer is not None:
-            self.assertIsInstance(dataset.feature_standardizer, SKLearnStandardizer)
-        else:
-            self.assertIsNone(dataset.feature_standardizer)
-        self.checkFeatures(dataset, expected_feature_count)
-
-
-class TestDataSetPreparation(DataSetsMixIn, DataPrepTestMixIn, TestCase):
-    """Test as many possible combinations of data sets and their preparation
-    settings. These can run potentially for a long time so use the `skip` decorator
-    if you want to skip all these tests to speed things up during development."""
-    @parameterized.expand(DataSetsMixIn.getPrepCombos())
-    def testPrepCombos(
-        self,
-        _,
-        name,
-        feature_calculators,
-        split,
-        feature_standardizer,
-        feature_filter,
-        data_filter,
-    ):
-        """Tests one combination of a data set and its preparation settings.
-
-        This generates a large number of parameterized tests. Use the `skip` decorator
-        if you want to skip all these tests. Note that the combinations are not
-        exhaustive, but defined by `DataSetsMixIn.getPrepCombos()`."""
-        np.random.seed(42)
-        dataset = self.createLargeTestDataSet(name=name)
-        self.checkPrep(
-            dataset,
-            feature_calculators,
-            split,
-            feature_standardizer,
-            feature_filter,
-            data_filter,
-            ["CL"],
-        )
-
-
-class TestDescriptorInDataMixIn(DescriptorCheckMixIn):
-    """Mixin for testing descriptor sets in data sets."""
-    @staticmethod
-    def getDatSetName(desc_set, target_props):
-        """Get a unique name for a data set."""
-        target_props_id = [
-            f"{target_prop['name']}_{target_prop['task']}"
-            for target_prop in target_props
-        ]
-        return f"{desc_set}_{target_props_id}"
-
-    def getCalculators(self, desc_sets):
-        """Get the calculators for a descriptor set."""
-        return [MoleculeDescriptorsCalculator(desc_sets)]
-
-    def checkDataSetContainsDescriptorSet(
-        self, dataset, desc_set, prep_combo, target_props
-    ):
-        """Check if a descriptor set is in a data set."""
-        # run the preparation
-        logging.debug(f"Testing descriptor set: {desc_set} in data set: {dataset.name}")
-        descriptor_sets = [desc_set]
-        preparation = {}
-        preparation.update(prep_combo)
-        preparation["feature_calculators"] = self.getCalculators(descriptor_sets)
-        dataset.prepareDataset(**preparation)
-        # test consistency
-        self.checkDescriptors(dataset, target_props)
-
-
-class TestDescriptorsAll(DataSetsMixIn, TestDescriptorInDataMixIn, TestCase):
-    """Test all descriptor sets in all data sets."""
-    @parameterized.expand(
-        [
-            (
-                f"{desc_set}_{TargetTasks.MULTICLASS}",
-                desc_set,
-                [
-                    {
-                        "name": "CL",
-                        "task": TargetTasks.MULTICLASS,
-                        "th": [0, 1, 10, 1200],
-                    }
-                ],
-            ) for desc_set in DataSetsMixIn.getAllDescriptors()
-        ] + [
-            (
-                f"{desc_set}_{TargetTasks.REGRESSION}",
-                desc_set,
-                [{
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                }],
-            ) for desc_set in DataSetsMixIn.getAllDescriptors()
-        ] + [
-            (
-                f"{desc_set}_Multitask",
-                desc_set,
-                [
-                    {
-                        "name": "CL",
-                        "task": TargetTasks.REGRESSION
-                    },
-                    {
-                        "name": "fu",
-                        "task": TargetTasks.SINGLECLASS,
-                        "th": [0.3]
-                    },
-                ],
-            ) for desc_set in DataSetsMixIn.getAllDescriptors()
-        ]
-    )
-    def testDescriptorsAll(self, _, desc_set, target_props):
-        """Tests all available descriptor sets.
-
-        Note that they are not checked with all possible settings and all possible
-        preparations, but only with the default settings provided by
-        `DataSetsMixIn.getDefaultPrep()`. The list itself is defined and configured by
-        `DataSetsMixIn.getAllDescriptors()`, so if you need a specific descriptor
-        tested, add it there.
-        """
-        np.random.seed(42)
-        dataset = self.createLargeTestDataSet(
-            name=self.getDatSetName(desc_set, target_props), target_props=target_props
-        )
-        self.checkDataSetContainsDescriptorSet(
-            dataset, desc_set, self.getDefaultPrep(), target_props
-        )
diff --git a/qsprpred/data/utils/dataimputers.py b/qsprpred/data/utils/dataimputers.py
deleted file mode 100644
index e69de29b..00000000
diff --git a/qsprpred/data/utils/datasplitters.py b/qsprpred/data/utils/datasplitters.py
deleted file mode 100644
index a77f70e3..00000000
--- a/qsprpred/data/utils/datasplitters.py
+++ /dev/null
@@ -1,356 +0,0 @@
-"""Different splitters to create train and tests for evalutating QSPR model performance.
-
-To add a new data splitter:
-* Add a DataSplit subclass for your new splitter
-"""
-import platform
-from typing import Iterable
-
-import numpy as np
-import pandas as pd
-from gbmtsplits import GloballyBalancedSplit
-from sklearn.model_selection import ShuffleSplit
-
-from ...logs import logger
-from ..data import QSPRDataset
-from ..interfaces import DataSplit
-from .data_clustering import (
-    FPSimilarityMaxMinClusters,
-    MoleculeClusters,
-    RandomClusters,
-    ScaffoldClusters,
-)
-from .scaffolds import Murcko, Scaffold
-
-
-class RandomSplit(DataSplit):
-    """Splits dataset in random train and test subsets.
-
-    Attributes:
-        testFraction (float): fraction of total dataset to testset
-    """
-    def __init__(self, test_fraction=0.1) -> None:
-        self.testFraction = test_fraction
-
-    def split(self, X, y):
-        return ShuffleSplit(1, test_size=self.testFraction).split(X, y)
-
-
-class ManualSplit(DataSplit):
-    """Splits dataset in train and test subsets based on a column in the dataframe.
-
-    Attributes:
-        splitCol (pd.Series): pandas series with split information
-        trainVal (str): value in splitcol that will be used for training
-        testVal (str): value in splitcol that will be used for testing
-
-    Raises:
-        ValueError: if there are more values in splitcol than trainval and testval
-    """
-    def __init__(self, splitcol: pd.Series, trainval: str, testval: str) -> None:
-        """Initialize the ManualSplit object with the splitcol, trainval and testval
-        attributes.
-
-        Args:
-            splitCol (pd.Series): pandas series with split information
-            trainVal (str): value in splitcol that will be used for training
-            testVal (str): value in splitcol that will be used for testing
-
-        Raises:
-            ValueError: if there are more values in splitcol than trainval and testval
-        """
-        self.splitCol = splitcol.reset_index(drop=True)
-        self.trainVal = trainval
-        self.testVal = testval
-        # check if only trainval and testval are present in splitcol
-        if not set(splitcol.unique()).issubset({trainval, testval}):
-            raise ValueError(
-                "There are more values in splitcol than trainval and testval"
-            )
-
-    def split(self, X, y):
-        """
-        Split the given data into one or multiple train/test subsets based on the
-        predefined splitcol.
-
-        Args:
-            X (np.ndarray | pd.DataFrame): the input data matrix
-            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
-
-        Returns:
-            an iterator over the generated subsets represented as a tuple of
-            (train_indices, test_indices) where the indices are the row indices of the
-            input data matrix
-        """
-        train = self.splitCol[self.splitCol == self.trainVal].index.values
-        test = self.splitCol[self.splitCol == self.testVal].index.values
-        return iter([(train, test)])
-
-
-class TemporalSplit(DataSplit):
-    """
-    Splits dataset train and test subsets based on a threshold in time.
-
-    Attributes:
-        dataset (QSPRDataset): dataset that this splitter will be acting on
-        timeSplit(float): time point after which sample to test set
-        timeCol (str): name of the column within the dataframe with timepoints
-    """
-    def __init__(
-        self,
-        timesplit: float,
-        timeprop: str,
-        dataset: QSPRDataset | None = None
-    ) -> None:
-        """Initialize a TemporalSplit object.
-
-        Args:
-            dataset (QSPRDataset): dataset that this splitter will be acting on
-            timesplit(float): time point after which sample to test set
-            timeprop (str): name of the column within the dataframe with timepoints
-        """
-        super().__init__(dataset=dataset)
-        self.timeSplit = timesplit
-        self.timeCol = timeprop
-
-    def split(self, X, y):
-        """
-        Split single-task dataset based on a time threshold.
-
-        Returns:
-            an iterator over the generated subsets represented as a tuple of
-            (train_indices, test_indices) where the indices are the row indices of the
-            input data matrix
-        """
-
-        # Get dataset, dataframe and tasks
-        ds = self.getDataSet()
-        df = ds.getDF().copy()
-        task_names = [TargetProperty.name for TargetProperty in ds.targetProperties]
-
-        assert len(task_names) > 0, "No target properties found."
-        assert len(X) == len(
-            df
-        ), "X and the current data in the dataset must have same length"
-
-        if len(task_names) > 1:
-            logger.warning(
-                "The TemporalSplit is not recommended for multitask\
-                or PCM datasets might lead to very unbalanced subsets\
-                for some tasks"
-            )
-
-        indices = np.array(list(range(len(df))))
-        mask = df[self.timeCol] > self.timeSplit
-        mask = mask.values
-        test = indices[mask]
-
-        # Check if there are any test samples for each task
-        for task in task_names:
-            if len(df[mask][task]) == 0:
-                raise ValueError(f"No test samples found for task {task.name}")
-            elif len(df[~mask][task]) == 0:
-                raise ValueError(f"No train samples found for task {task.name}")
-
-        train = indices[~mask]
-
-        return iter([(train, test)])
-
-
-class GBMTDataSplit(DataSplit):
-    """
-    Splits dataset into balanced train and test subsets
-    based on an initial clustering algorithm.
-
-    Attributes:
-        dataset (QSPRDataset):
-            dataset that this splitter will be acting on
-        clustering (MoleculeClusters):
-            clustering algorithm to use
-        testFraction (float):
-            fraction of total dataset to testset
-        customTestList (list):
-            list of molecule indexes to force in test set
-        split_kwargs (dict):
-            additional arguments to be passed to the GloballyBalancedSplit
-    """
-    def __init__(
-        self,
-        dataset: QSPRDataset = None,
-        clustering: MoleculeClusters = FPSimilarityMaxMinClusters(),
-        test_fraction: float = 0.1,
-        custom_test_list: list[str] | None = None,
-        **split_kwargs,
-    ):
-        super().__init__(dataset)
-        self.testFraction = test_fraction
-        self.customTestList = custom_test_list
-        self.clustering = clustering
-        self.split_kwargs = split_kwargs if split_kwargs else {}
-
-    def split(
-        self, X: np.ndarray | pd.DataFrame, y: np.ndarray | pd.DataFrame | pd.Series
-    ) -> Iterable[tuple[list[int], list[int]]]:
-        """
-        Split dataset into balanced train and test subsets
-        based on an initial clustering algorithm.
-
-        Args:
-            X (np.ndarray | pd.DataFrame): the input data matrix
-            y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
-
-        Returns:
-            an iterator over the generated subsets represented as a tuple of
-            (train_indices, test_indices) where the indices are the row indices of the
-            input data matrix
-        """
-        # if we are on Windows, raise an error
-        if platform.system() == "Windows":
-            logger.warning(
-                "The GBMTDataSplit currently has a problem on Windows:"
-                "https://github.com/coin-or/pulp/issues/671 and might hang up..."
-            )
-
-        # Get dataset, dataframe and tasks
-        ds = self.getDataSet()
-        df = ds.getDF().copy().reset_index(drop=True)  # need numeric index splits
-        task_names = [TargetProperty.name for TargetProperty in ds.targetProperties]
-
-        assert len(task_names) > 0, "No target properties found."
-        assert len(X) == len(
-            df
-        ), "X and the current data in the dataset must have same length"
-
-        # Get clusters
-        clusters = self.clustering.get_clusters(df[ds.smilesCol].tolist())
-
-        # Pre-assign smiles of custom_test_list to test set
-        preassigned_smiles = (
-            {
-                df.loc[df.QSPRID == qspridx][ds.smilesCol].values[0]: 1
-                for qspridx in self.customTestList
-            } if self.customTestList else None
-        )
-
-        print(self.split_kwargs)
-        # Split dataset
-        splitter = GloballyBalancedSplit(
-            sizes=[1 - self.testFraction, self.testFraction],
-            clusters=clusters,
-            clustering_method=None,  # As precomputed clusters are provided
-            **self.split_kwargs,
-        )
-        df_split = splitter(
-            df,
-            ds.smilesCol,
-            task_names,
-            preassigned_smiles=preassigned_smiles,
-        )
-
-        # Get indices
-        train_indices = df_split[df_split["Split"] == 0].index.values
-        test_indices = df_split[df_split["Split"] == 1].index.values
-
-        assert len(train_indices) + len(test_indices) == len(
-            df
-        ), "Not all samples were assigned to a split"
-
-        # Reset index back to QSPRID
-        df.set_index(ds.indexCols, inplace=True, drop=False)
-
-        return iter([(train_indices, test_indices)])
-
-
-class GBMTRandomSplit(GBMTDataSplit):
-    """
-    Splits dataset into balanced random train and test subsets.
-
-    Attributes:
-        dataset (QSPRDataset):
-            dataset that this splitter will be acting on
-        testFraction (float):
-            fraction of total dataset to testset
-        customTestList (list):
-            list of molecule indexes to force in test set
-        split_kwargs (dict):
-            additional arguments to be passed to the GloballyBalancedSplit
-    """
-    def __init__(
-        self,
-        dataset: QSPRDataset | None = None,
-        test_fraction: float = 0.1,
-        seed: int = 42,
-        n_initial_clusters: int | None = None,
-        custom_test_list: list[str] | None = None,
-        **split_kwargs,
-    ) -> None:
-        super().__init__(
-            dataset,
-            RandomClusters(seed, n_initial_clusters),
-            test_fraction,
-            custom_test_list,
-            **split_kwargs,
-        )
-
-
-class ScaffoldSplit(GBMTDataSplit):
-    """
-    Splits dataset into balanced train and test subsets based on molecular scaffolds.
-
-    Attributes:
-        dataset (QSPRDataset):
-            dataset that this splitter will be acting on
-        testFraction (float):
-            fraction of total dataset to testset
-        customTestList (list):
-            list of molecule indexes to force in test set
-        split_kwargs (dict):
-            additional arguments to be passed to the GloballyBalancedSplit
-    """
-    def __init__(
-        self,
-        dataset: QSPRDataset | None = None,
-        scaffold: Scaffold = Murcko(),
-        test_fraction: float = 0.1,
-        custom_test_list: list | None = None,
-        **split_kwargs,
-    ) -> None:
-        super().__init__(
-            dataset,
-            ScaffoldClusters(scaffold),
-            test_fraction,
-            custom_test_list,
-            **split_kwargs,
-        )
-
-
-class ClusterSplit(GBMTDataSplit):
-    """
-    Splits dataset into balanced train and test subsets based on clusters of similar
-    molecules.
-
-    Attributes:
-        dataset (QSPRDataset):
-            dataset that this splitter will be acting on
-        testFraction (float):
-            fraction of total dataset to testset
-        customTestList (list):
-            list of molecule indexes to force in test set
-        split_kwargs (dict):
-            additional arguments to be passed to the GloballyBalancedSplit
-    """
-    def __init__(
-        self,
-        dataset: QSPRDataset = None,
-        test_fraction: float = 0.1,
-        custom_test_list: list[str] | None = None,
-        clustering: MoleculeClusters = FPSimilarityMaxMinClusters(),
-        **split_kwargs,
-    ) -> None:
-        super().__init__(
-            dataset,
-            clustering,  # TODO: For MaxMin pass random seed
-            test_fraction,
-            custom_test_list,
-            **split_kwargs,
-        )
diff --git a/qsprpred/data/utils/descriptor_utils/drugexproperties.py b/qsprpred/data/utils/descriptor_utils/drugexproperties.py
deleted file mode 100644
index 6674fa79..00000000
--- a/qsprpred/data/utils/descriptor_utils/drugexproperties.py
+++ /dev/null
@@ -1,48 +0,0 @@
-import numpy as np
-from rdkit.Chem import AllChem, Crippen
-from rdkit.Chem import Descriptors as desc
-from rdkit.Chem import Lipinski
-
-from .interfaces import Scorer
-
-
-class Property(Scorer):
-    def __init__(self, props=None):
-        self.prop_dict = {
-            "MW": desc.MolWt,
-            "logP": Crippen.MolLogP,
-            "HBA": AllChem.CalcNumLipinskiHBA,
-            "HBD": AllChem.CalcNumLipinskiHBD,
-            "Rotable": AllChem.CalcNumRotatableBonds,
-            "Amide": AllChem.CalcNumAmideBonds,
-            "Bridge": AllChem.CalcNumBridgeheadAtoms,
-            "Hetero": AllChem.CalcNumHeteroatoms,
-            "Heavy": Lipinski.HeavyAtomCount,
-            "Spiro": AllChem.CalcNumSpiroAtoms,
-            "FCSP3": AllChem.CalcFractionCSP3,
-            "Ring": Lipinski.RingCount,
-            "Aliphatic": AllChem.CalcNumAliphaticRings,
-            "Aromatic": AllChem.CalcNumAromaticRings,
-            "Saturated": AllChem.CalcNumSaturatedRings,
-            "HeteroR": AllChem.CalcNumHeterocycles,
-            "TPSA": AllChem.CalcTPSA,
-            "Valence": desc.NumValenceElectrons,
-            "MR": Crippen.MolMR,
-        }
-        if props:
-            self.props = props
-        else:
-            self.props = self.prop_dict.keys()
-
-    def getScores(self, mols):
-        scores = np.zeros((len(mols), len(self.props)))
-        for i, mol in enumerate(mols):
-            for j, prop in enumerate(self.props):
-                try:
-                    scores[i, j] = self.prop_dict[prop](mol)
-                except:  # noqa: E722
-                    continue
-        return scores
-
-    def getKey(self):
-        return self.props
diff --git a/qsprpred/data/utils/descriptor_utils/interfaces.py b/qsprpred/data/utils/descriptor_utils/interfaces.py
deleted file mode 100644
index 4738ffcd..00000000
--- a/qsprpred/data/utils/descriptor_utils/interfaces.py
+++ /dev/null
@@ -1,84 +0,0 @@
-"""Definitions of interfaces pertaining to descriptor and fingerprint sets."""
-
-from abc import ABC, abstractmethod
-
-
-class Fingerprint(ABC):
-    """Base class for fingerprints."""
-    def __call__(self, mols):
-        """Actual call method.
-
-        Args:
-            mols: molecules to obtain the fingerprints of
-
-        Returns:
-            fingerprint (list): `list` of fingerprints for "mols"
-        """
-        return self.getFingerprints(mols)
-
-    @abstractmethod
-    def settings(self):
-        """Return settings of fingerprint."""
-
-    @abstractmethod
-    def __len__(self):
-        """Return length of fingerprint."""
-
-    @abstractmethod
-    def getKey(self):
-        """Return identifier of fingerprint."""
-
-
-class Scorer(ABC):
-    """Used to calculate customized scores."""
-    def __init__(self, modifier=None):
-        self.modifier = modifier
-
-    @abstractmethod
-    def getScores(self, mols, frags=None):
-        """Return scores for the input molecules.
-
-        Args:
-            mols: molecules to score
-            frags: input fragments
-
-        Returns:
-            scores (list): `list` of scores for "mols"
-        """
-
-    def __call__(self, mols, frags=None):
-        """Actual call method. Modifies the scores before returning them.
-
-        Args:
-            mols: molecules to score
-            frags: input fragments
-
-        Returns:
-            scores (DataFrame): a data frame with columns name 'VALID' and 'DESIRE'
-                indicating the validity of the SMILES and the degree of desirability
-        """
-        return self.getModifiedScores(self.getScores(mols, frags))
-
-    def getModifiedScores(self, scores):
-        """Modify the scores with the given ScoreModifier.
-
-        Args:
-            scores:
-
-        Returns:
-            scores
-        """
-        if self.modifier:
-            return self.modifier(scores)
-        else:
-            return scores
-
-    @abstractmethod
-    def getKey(self):
-        pass
-
-    def setModifier(self, modifier):
-        self.modifier = modifier
-
-    def getModifier(self):
-        return self.modifier
diff --git a/qsprpred/data/utils/descriptor_utils/rdkitdescriptors.py b/qsprpred/data/utils/descriptor_utils/rdkitdescriptors.py
deleted file mode 100644
index 7c09f6a7..00000000
--- a/qsprpred/data/utils/descriptor_utils/rdkitdescriptors.py
+++ /dev/null
@@ -1,59 +0,0 @@
-import numpy as np
-from rdkit.Chem import Descriptors
-from rdkit.ML.Descriptors import MoleculeDescriptors
-
-from ..descriptor_utils.interfaces import Scorer
-
-
-class RdkitDescriptors(Scorer):
-    def __init__(
-        self, rdkit_descriptors: list[str] = None, compute_3Drdkit: bool = False
-    ):
-        """Initialize a RdkitDescriptors class to calculate rdkit descriptors.
-
-        Args:
-            rdkit_descriptors (optional): rdkit.Chem.Descriptors._descList.
-                Defaults to None.
-            compute_3Drdkit (bool, optional): _description_. Defaults to False.
-        """
-        # TODO: atm can't pass a list of strings to rdkit_descriptors. Refactor?
-        # self.available = dict(Descriptors._descList)
-        # if rdkit_descriptors is not None:
-        #     self.descriptors = [
-        #         v for k, v in self.available.items if k in rdkit_descriptors
-        #     ]
-        # else:
-        #     self.descriptors = list(self.available.values())
-        self.descriptors = (
-            rdkit_descriptors
-            if rdkit_descriptors is not None
-            else sorted(list(set([x[0] for x in Descriptors._descList])))
-        )
-        if compute_3Drdkit:
-            self.descriptors = [
-                *self.descriptors,
-                "Asphericity",
-                "Eccentricity",
-                "InertialShapeFactor",
-                "NPR1",
-                "NPR2",
-                "PMI1",
-                "PMI2",
-                "PMI3",
-                "RadiusOfGyration",
-                "SpherocityIndex",
-            ]
-
-    def getScores(self, mols):
-        scores = np.zeros((len(mols), len(self.descriptors)))
-        calc = MoleculeDescriptors.MolecularDescriptorCalculator(self.descriptors)
-        for i, mol in enumerate(mols):
-            try:
-                scores[i] = calc.CalcDescriptors(mol)
-            except AttributeError:
-                continue
-        return scores
-
-    def getKey(self):
-        # FIXME: This should probably return a single str...
-        return self.descriptors
diff --git a/qsprpred/data/utils/descriptorcalculator.py b/qsprpred/data/utils/descriptorcalculator.py
deleted file mode 100644
index ce5d1cd1..00000000
--- a/qsprpred/data/utils/descriptorcalculator.py
+++ /dev/null
@@ -1,270 +0,0 @@
-"""This module is used for calculating molecular descriptors using descriptorsets."""
-import json
-from abc import ABC, abstractmethod
-
-import numpy as np
-import pandas as pd
-from rdkit.Chem.rdchem import Mol
-
-from ...logs import logger
-from ...utils.inspect import import_class
-from .descriptorsets import get_descriptor
-
-
-class DescriptorsCalculator(ABC):
-    """Calculator for various descriptors of molecules."""
-
-    __in__ = __contains__ = lambda self, x: x in self.descSets
-
-    def __str__(self):
-        return self.getPrefix()
-
-    @abstractmethod
-    def getPrefix(self) -> str:
-        """Return prefix for descriptor names of the calculator."""
-
-    def __init__(self, desc_sets: list["DescriptorSet"]) -> None:  # noqa: F821
-        """Set the descriptorsets to be calculated with this calculator."""
-        self.descSets = list(desc_sets)
-        self.noParallelization = any(
-            (
-                hasattr(descset, "noParallelization") and
-                descset.noParallelization is True
-            ) for descset in desc_sets
-        )
-
-    @classmethod
-    def loadDescriptorSets(cls, fname: str) -> list["DescriptorSet"]:  # noqa: F821
-        """Loads the descriptor sets from a json file.
-
-        Args:
-            fname (str): name of the json file with descriptor names and settings
-
-        Returns:
-            list[DescriptorSet]: list of descriptor sets
-        """
-        with open(fname, "r") as infile:
-            descset_dict = json.load(infile)
-
-        desc_sets = []
-        for key, value in descset_dict.items():
-            if key == "calculator":
-                continue
-            name = value["name"]
-            if name.startswith("FingerprintSet_"):
-                name = "FingerprintSet"
-            descset = get_descriptor(name, **value["settings"])
-            if descset.isFP:
-                descset.keepindices = value["keepindices"]
-            else:
-                descset.descriptors = value["descriptors"]
-            desc_sets.append(descset)
-
-        return desc_sets
-
-    @classmethod
-    def classFromFile(cls, fname: str):
-        """Initialize descriptorset from a json file.
-
-        Args:
-            fname: file name of json file with descriptor names and settings
-        """
-
-        with open(fname, "r") as infile:
-            descset_dict = json.load(infile)
-            # Assume calculator is a molecule descriptor calculator if not specified
-            # (for backwards compatibility before introduction of protein descriptor calculator) # noqa: 501
-            if "calculator" not in descset_dict:
-                descset_dict["calculator"] = (
-                    "qsprpred.data.utils.descriptorcalculator."
-                    "MoleculeDescriptorsCalculator"
-                )
-
-            return import_class(descset_dict["calculator"])
-
-    @classmethod
-    def fromFile(cls, fname: str):
-        """Initialize descriptorset from a json file.
-
-        Args:
-            fname: file name of json file with descriptor names and settings
-        """
-
-        cl = cls.classFromFile(fname)
-        desc_sets = cl.loadDescriptorSets(fname)
-        return cl(desc_sets)
-
-    @abstractmethod
-    def __call__(self, *args, **kwargs) -> pd.DataFrame:
-        """
-        Calculate features as a pandas dataframe.
-
-        Args:
-            *args: arguments to be passed to the calculator to perform the calculation
-            **kwargs: keyword arguments to be passed to the calculator to perform the
-                calculation
-
-        Returns:
-            matrix (pd.DataFrame): a data frame of shape (n_inputs, n_descriptors), if
-                one of the inputs is expected to be an index, the output data frame
-                should use the same index to map outputs to inputs.
-        """
-
-    def toFile(self, fname: str) -> None:
-        """Save descriptorset to json file.
-
-        Args:
-            fname: name of the json file with descriptor names and settings
-        """
-        descset_dict = {}
-        for idx, descset in enumerate(self.descSets):
-            idx = str(idx)
-            if descset.isFP:
-                descset_dict[idx] = {
-                    "name": str(descset),
-                    "settings": descset.settings,
-                    "keepindices": descset.keepindices,
-                }
-            else:
-                descset_dict[idx] = {
-                    "name": str(descset),
-                    "settings": descset.settings,
-                    "descriptors": descset.descriptors,
-                }
-            descset_dict[idx]["class"] = descset.__class__.__name__
-        # save fully qualified class name of calculator
-        descset_dict["calculator"] = (
-            self.__class__.__module__ + "." + self.__class__.__name__
-        )
-        with open("%s" % fname, "w") as outfile:
-            json.dump(descset_dict, outfile)
-
-    def keepDescriptors(self, descriptors: list[str]) -> None:
-        """Drop all descriptors/descriptorsets not in descriptor list.
-
-        Args:
-            descriptors: list of descriptornames with descriptorset prefix to keep
-        """
-        to_remove = []
-        for idx, descriptorset in enumerate(self.descSets):
-            # Find all descriptors in current descriptorset
-            descs_from_curr_set = [
-                f.replace(f"{self.getPrefix()}_{descriptorset}_", "")
-                for f in descriptors
-                if f.startswith(f"{self.getPrefix()}_{descriptorset}_") and (
-                    f.replace(f"{self.getPrefix()}_{descriptorset}_", "") in
-                    descriptorset.descriptors
-                )
-            ]
-            # if there are none to keep from current descriptors set, skip the whole set
-            if not descs_from_curr_set:
-                to_remove.append(idx)
-                continue
-
-            if descriptorset.isFP:
-                # if the set is a fingerprint, set indices to keep
-                self.descSets[idx].keepindices = list(descs_from_curr_set)
-            else:
-                # if the set is not a fingerprint, set descriptors to keep
-                self.descSets[idx].descriptors = descs_from_curr_set
-
-        # remove all descriptorsets that are not in the list of descriptors to keep
-        self.descSets = [x for i, x in enumerate(self.descSets) if i not in to_remove]
-
-    def getLen(self) -> int:
-        """Return number of descriptors calculated by all descriptorsets."""
-        length = 0
-        for descset in self.descSets:
-            length += descset.getLen()
-        return length
-
-    def getDescriptorNames(self) -> list[str]:
-        """Return list of descriptor names calculated by all descriptorsets."""
-        names = []
-        for descset in self.descSets:
-            names += descset.descriptors
-        return names
-
-    @staticmethod
-    def treatInfs(df: pd.DataFrame) -> pd.DataFrame:
-        """Replace infinite values by NaNs.
-
-        Args:
-            df: dataframe to treat
-
-        Returns:
-            dataframe with infinite values replaced by NaNs
-        """
-        if np.isinf(df).any().any():
-            col_names = df.columns
-            x_loc, y_loc = np.where(np.isinf(df.values))
-            inf_cols = np.take(col_names, np.unique(y_loc))
-            logger.debug(
-                "Infinite values in dataframe at columns:"
-                f"\n{inf_cols}"
-                "And rows:"
-                f"\n{np.unique(x_loc)}"
-            )
-            # Convert absurdly high values to NaNs
-            df = df.replace([np.inf, -np.inf], np.NAN)
-        return df
-
-
-class MoleculeDescriptorsCalculator(DescriptorsCalculator):
-    """Calculator for molecule properties."""
-    def __call__(self, mols: list[Mol], dtype=np.float32) -> pd.DataFrame:
-        """Calculate descriptors for list of mols.
-
-        Args:
-            mols: list of rdkit mols
-        """
-        df = pd.DataFrame()
-        for descset in self.descSets:
-            values = descset(mols)
-            values = pd.DataFrame(values, columns=descset.descriptors)
-            if descset.isFP:
-                values.add_prefix(f"{descset.fingerprintType}_")
-            try:
-                values = values.astype(dtype)
-                values = self.treatInfs(values)
-            except ValueError:
-                logger.warning(
-                    f"Could not convert descriptor values to {dtype}. "
-                    "Keeping original dtype."
-                )
-            df = pd.concat(
-                [df, values.add_prefix(f"{self.getPrefix()}_{descset}_")], axis=1
-            )
-        return df
-
-    def getPrefix(self) -> str:
-        return "Descriptor"
-
-
-class CustomDescriptorsCalculator(DescriptorsCalculator):
-    """Calculator for custom descriptors."""
-    def __init__(self, desc_sets: list["DataFrameDescriptorSet"]) -> None:  # noqa: F821
-        """Initialize calculator.
-
-        Args:
-            desc_sets (list[DataFrameDescriptorSet]): list of descriptorsets
-        """
-        super().__init__(desc_sets)
-
-    def getPrefix(self) -> str:
-        return "Descriptor_Custom"
-
-    def __call__(self, index, dtype=np.float32) -> pd.DataFrame:
-        df = pd.DataFrame(index=index)
-        for descset in self.descSets:
-            values = descset(index)
-            if descset.isFP:
-                values.add_prefix(f"{descset.fingerprintType}_")
-            values = values.astype(dtype)
-            # if dtype is numeric
-            if np.issubdtype(dtype, np.number):
-                values = self.treatInfs(values)
-            values = values.add_prefix(f"{self.getPrefix()}_{descset}_")
-            df = df.merge(values, left_index=True, right_index=True)
-
-        return df
diff --git a/qsprpred/data/utils/descriptorsets.py b/qsprpred/data/utils/descriptorsets.py
deleted file mode 100644
index f6cc2489..00000000
--- a/qsprpred/data/utils/descriptorsets.py
+++ /dev/null
@@ -1,560 +0,0 @@
-"""Descriptorset: a collection of descriptors that can be calculated for a molecule.
-
-To add a new descriptor or fingerprint calculator:
-* Add a descriptor subclass for your descriptor calculator
-* Add a function to retrieve your descriptor by name to the descriptor retriever class
-"""
-from abc import ABC, abstractmethod
-
-import numpy as np
-import pandas as pd
-from rdkit import Chem, DataStructs
-from rdkit.Chem import Mol
-
-from ...models.interfaces import QSPRModel
-from .descriptor_utils.drugexproperties import Property
-from .descriptor_utils.fingerprints import get_fingerprint
-from .descriptor_utils.rdkitdescriptors import RdkitDescriptors
-
-
-class DescriptorSet(ABC):
-    __len__ = lambda self: self.getLen()
-
-    @abstractmethod
-    def __call__(self, *args, **kwargs):
-        """
-        Calculate the descriptors for a given input.
-
-        Args:
-            *args: arguments to be passed to perform the calculation
-            **kwargs: keyword arguments to be passed to perform the calculation
-
-        Returns:
-            DataFrame or np.array of descriptors with shape [n_inputs, n_descriptors]
-        """
-
-    @property
-    @abstractmethod
-    def descriptors(self):
-        """Return a list of descriptor names."""
-
-    @descriptors.setter
-    @abstractmethod
-    def descriptors(self, value):
-        """Set the descriptor names."""
-
-    def getLen(self):
-        """Return the number of descriptors."""
-        return len(self.descriptors)
-
-    @property
-    @abstractmethod
-    def isFP(self):
-        """Return True if descriptorset is fingerprint."""
-
-    @property
-    @abstractmethod
-    def settings(self):
-        """Return dictionary with arguments used to initialize the descriptorset."""
-
-    @abstractmethod
-    def __str__(self):
-        """Return string representation of the descriptorset."""
-
-
-class MoleculeDescriptorSet(DescriptorSet):
-    """Abstract base class for descriptorsets.
-
-    Descriptorset: a collection of descriptors that can be calculated for a molecule.
-    """
-    @abstractmethod
-    def __call__(self, mols: list[str | Mol]) -> np.ndarray | pd.DataFrame:
-        """
-        Calculate the descriptor for a molecule.
-
-        Args:
-            mols: list of molecules (SMILES `str` or RDKit Mol)
-
-        Returns:
-            an array or data frame of descriptor values of shape (n_mols, n_descriptors)
-        """
-
-    @staticmethod
-    def iterMols(mols: list[str | Mol], to_list=False):
-        """
-        Create a molecule iterator or list from RDKit molecules or SMILES.
-
-        Args:
-            mols: list of molecules (SMILES `str` or RDKit Mol)
-            to_list: if True, return a list instead of an iterator
-
-        Returns:
-            an array or data frame of descriptor values of shape (n_mols, n_descriptors)
-        """
-        ret = (Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol for mol in mols)
-        if to_list:
-            ret = list(ret)
-        return ret
-
-
-class DataFrameDescriptorSet(DescriptorSet):
-    def __init__(self, df: pd.DataFrame):
-        self._df = df
-        self._descriptors = df.columns.tolist() if df is not None else []
-
-    def getDF(self):
-        return self._df
-
-    def getIndex(self):
-        return self._df.index if self._df is not None else None
-
-    def __call__(self, index, *args, **kwargs):
-        if self._df is None:
-            raise ValueError("No dataframe set.")
-        ret = pd.DataFrame(index=index)
-        ret = ret.merge(self._df, how="left", left_index=True, right_index=True)
-        return ret[self.descriptors]
-
-    @property
-    def descriptors(self):
-        return self._descriptors
-
-    @descriptors.setter
-    def descriptors(self, value):
-        self._descriptors = value
-
-    @property
-    def isFP(self):
-        return False
-
-    @property
-    def settings(self):
-        return {"df": None}
-
-    def __str__(self):
-        return "DataFrame"
-
-
-class FingerprintSet(MoleculeDescriptorSet):
-    """Generic fingerprint descriptorset can be used to calculate any fingerprint type
-    defined in descriptorutils.fingerprints.
-    """
-    def __init__(self, fingerprint_type, *args, **kwargs):
-        """
-        Initialize the descriptor with the same arguments as you would pass to your
-        fingerprint type of choice.
-
-        Args:
-            fingerprint_type: fingerprint type
-            *args: fingerprint specific arguments
-            **kwargs: fingerprint specific arguments keyword arguments
-        """
-        self._isFP = True
-        self.fingerprintType = fingerprint_type
-        self.getFingerprint = get_fingerprint(self.fingerprintType, *args, **kwargs)
-
-        self._keepindices = None
-
-    def __call__(self, mols):
-        """Calculate the fingerprint for a list of molecules."""
-        mols = [Chem.AddHs(mol) for mol in self.iterMols(mols)]
-        ret = self.getFingerprint(mols)
-
-        if self.keepindices:
-            ret = ret[:, self.keepindices]
-
-        return ret
-
-    @property
-    def keepindices(self):
-        """Return the indices of the fingerprint to keep."""
-        return self._keepindices
-
-    @keepindices.setter
-    def keepindices(self, val):
-        """Set the indices of the fingerprint to keep."""
-        self._keepindices = [int(x) for x in val] if val else None
-
-    @property
-    def isFP(self):
-        """Return True if descriptorset is fingerprint."""
-        return self._isFP
-
-    @property
-    def settings(self):
-        """Return dictionary with arguments used to initialize the descriptorset."""
-        return {
-            "fingerprint_type": self.fingerprintType,
-            **self.getFingerprint.settings,
-        }
-
-    def getLen(self):
-        """Return the length of the fingerprint."""
-        return len(self.getFingerprint)
-
-    def __str__(self):
-        return f"FingerprintSet_{self.fingerprintType}"
-
-    @property
-    def descriptors(self):
-        """Return the indices of the fingerprint that are kept."""
-        indices = self.keepindices if self.keepindices else range(self.getLen())
-        return [f"{idx}" for idx in indices]
-
-    @descriptors.setter
-    def descriptors(self, value):
-        """Set the indices of the fingerprint to keep."""
-        self.keepindices(value)
-
-
-class DrugExPhyschem(MoleculeDescriptorSet):
-    """
-    Physciochemical properties originally used in DrugEx for QSAR modelling.
-
-    Args:
-        props: list of properties to calculate
-    """
-    def __init__(self, physchem_props=None):
-        """Initialize the descriptorset with Property arguments (a list of properties to
-        calculate) to select a subset.
-
-        Args:
-            physchem_props: list of properties to calculate
-        """
-        self._isFP = False
-        self.props = list(Property(physchem_props).props)
-
-    def __call__(self, mols):
-        """Calculate the DrugEx properties for a molecule."""
-        calculator = Property(self.props)
-        return calculator.getScores(self.iterMols(mols, to_list=True))
-
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {"physchem_props": self.props}
-
-    @property
-    def descriptors(self):
-        return self.props
-
-    @descriptors.setter
-    def descriptors(self, props):
-        """Set new props as a list of names."""
-        self.props = list(Property(props).props)
-
-    def __str__(self):
-        return "DrugExPhyschem"
-
-
-class RDKitDescs(MoleculeDescriptorSet):
-    """
-    Calculate RDkit descriptors.
-
-    Args:
-        rdkit_descriptors: list of descriptors to calculate, if none, all 2D rdkit
-            descriptors will be calculated
-        compute_3Drdkit: if True, 3D descriptors will be calculated
-    """
-    def __init__(self, rdkit_descriptors=None, compute_3Drdkit=False):
-        self._isFP = False
-        # TODO: RdkitDescriptors probably needs refactoring; see definition
-        self._calculator = RdkitDescriptors(rdkit_descriptors, compute_3Drdkit)
-        self._descriptors = self._calculator.descriptors
-        self.compute3Drdkit = compute_3Drdkit
-
-    def __call__(self, mols):
-        return self._calculator.getScores(self.iterMols(mols, to_list=True))
-
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {
-            "rdkit_descriptors": self.descriptors,
-            "compute_3Drdkit": self.compute3Drdkit,
-        }
-
-    @property
-    def descriptors(self):
-        return self._descriptors
-
-    @descriptors.setter
-    def descriptors(self, descriptors):
-        self._calculator.descriptors = descriptors
-        self._descriptors = descriptors
-
-    def __str__(self):
-        return "RDkit"
-
-
-class TanimotoDistances(MoleculeDescriptorSet):
-    """
-    Calculate Tanimoto distances to a list of SMILES sequences.
-
-    Args:
-        list_of_smiles (list of strings): list of SMILES to calculate the distances.
-        fingerprint_type (str): fingerprint type to use.
-        *args: `fingerprint` arguments
-        **kwargs: `fingerprint` keyword arguments, should contain fingerprint_type
-    """
-    def __init__(self, list_of_smiles, fingerprint_type, *args, **kwargs):
-        """Initialize the descriptorset with a list of SMILES sequences and a
-        fingerprint type.
-
-        Args:
-            list_of_smiles (list of strings): list of SMILES sequences to calculate
-                distance to
-            fingerprint_type (str): fingerprint type to use
-        """
-        self._descriptors = list_of_smiles
-        self.fingerprintType = fingerprint_type
-        self._args = args
-        self._kwargs = kwargs
-        self._isFP = False
-
-        # intialize fingerprint calculator
-        self.getFingerprint = get_fingerprint(
-            self.fingerprintType, *self._args, **self._kwargs
-        )
-        self.calculate_fingerprints(list_of_smiles)
-
-    def __call__(self, mols):
-        """Calculate the Tanimoto distances to the list of SMILES sequences.
-
-        Args:
-            mols (List[str] or List[rdkit.Chem.rdchem.Mol]): SMILES sequences or RDKit
-                molecules to calculate the distances.
-        """
-        mols = [
-            Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol for mol in mols
-        ]
-        # Convert np.arrays to BitVects
-        fps = [
-            DataStructs.CreateFromBitString("".join(map(str, x)))
-            for x in self.getFingerprint(mols)
-        ]
-        return [
-            list(1 - np.array(DataStructs.BulkTanimotoSimilarity(fp, self.fps)))
-            for fp in fps
-        ]
-
-    def calculate_fingerprints(self, list_of_smiles):
-        """Calculate the fingerprints for the list of SMILES sequences."""
-        # Convert np.arrays to BitVects
-        self.fps = [
-            DataStructs.CreateFromBitString("".join(map(str, x))) for x in self.
-            getFingerprint([Chem.MolFromSmiles(smiles) for smiles in list_of_smiles])
-        ]
-
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {
-            "fingerprint_type": self.fingerprintType,
-            "list_of_smiles": self._descriptors,
-            "args": self._args,
-            "kwargs": self._kwargs,
-        }
-
-    @property
-    def descriptors(self):
-        return self._descriptors
-
-    @descriptors.setter
-    def descriptors(self, list_of_smiles):
-        """Set new list of SMILES sequences to calculate distance to."""
-        self._descriptors = list_of_smiles
-        self.list_of_smiles = list_of_smiles
-        self.fps = self.calculate_fingerprints(self.list_of_smiles)
-
-    def __str__(self):
-        return "TanimotoDistances"
-
-
-class PredictorDesc(MoleculeDescriptorSet):
-    """MoleculeDescriptorSet that uses a Predictor object to calculate descriptors from
-    a molecule."""
-    def __init__(self, model: QSPRModel | str):
-        """
-        Initialize the descriptorset with a `QSPRModel` object.
-
-        Args:
-            model: a fitted model instance or a path to the model's meta file
-        """
-
-        if isinstance(model, str):
-            from ...models.interfaces import QSPRModel
-
-            self.model = QSPRModel.fromFile(model)
-        else:
-            self.model = model
-
-        self._descriptors = [self.model.name]
-
-    def __call__(self, mols):
-        """
-        Calculate the descriptor for a list of molecules.
-
-        Args:
-            mols (list): list of smiles or rdkit molecules
-
-        Returns:
-            an array of descriptor values
-        """
-        mols = list(mols)
-        if type(mols[0]) != str:
-            mols = [Chem.MolToSmiles(mol) for mol in mols]
-        return self.model.predictMols(mols, use_probas=False)
-
-    @property
-    def isFP(self):
-        return False
-
-    @property
-    def settings(self):
-        """Return args and kwargs used to initialize the descriptorset."""
-        return {
-            "model":
-                self.model.
-                metaFile  # FIXME: we save absolute path to meta file so this descriptor
-            # set is not really portable
-        }
-
-    @property
-    def descriptors(self):
-        return self._descriptors
-
-    @descriptors.setter
-    def descriptors(self, descriptors):
-        self._descriptors = descriptors
-
-    def getLen(self):
-        return 1
-
-    def __str__(self):
-        return "PredictorDesc"
-
-
-class SmilesDesc(MoleculeDescriptorSet):
-    """Descriptorset that calculates descriptors from a SMILES sequence."""
-    def __call__(self, mols: list[str | Mol]):
-        """Return smiles as descriptors.
-
-        Args:
-            mols (list): list of smiles or rdkit molecules
-
-        Returns:
-            an array or data frame of descriptor values of shape (n_mols, n_descriptors)
-        """
-        if all(isinstance(mol, str) for mol in mols):
-            return np.array(mols)
-        elif all(isinstance(mol, Mol) for mol in mols):
-            return np.array([Chem.MolToSmiles(mol) for mol in mols])
-        else:
-            raise ValueError("Molecules should be either SMILES or RDKit Mol objects.")
-
-    @property
-    def isFP(self):
-        return False
-
-    @property
-    def settings(self):
-        return {}
-
-    @property
-    def descriptors(self):
-        return ["SMILES"]
-
-    @descriptors.setter
-    def descriptors(self, descriptors):
-        pass
-
-    def __str__(self):
-        return "SmilesDesc"
-
-
-class _DescriptorSetRetriever:
-    """Based on recipe 8.21 of the book "Python Cookbook".
-
-    To support a new type of descriptor, just add a function "get_descname(self, *args,
-    **kwargs)".
-    """
-    def getDescriptor(self, desc_type, *args, **kwargs):
-        if desc_type.lower() == "descriptor":
-            raise Exception("Please specify the type of fingerprint you want to use.")
-        method_name = "get" + desc_type
-        method = getattr(self, method_name)
-        if method is None:
-            raise Exception(f"{desc_type} is not a supported descriptor set type.")
-        return method(*args, **kwargs)
-
-    def getFingerprintSet(self, *args, **kwargs):
-        """Wrapper to get a fingerprint set."""
-        return FingerprintSet(*args, **kwargs)
-
-    def getDrugExPhyschem(self, *args, **kwargs):
-        """Wrapper to get DrugEx physichochemical properties."""
-        return DrugExPhyschem(*args, **kwargs)
-
-    def getMordred(self, *args, **kwargs):
-        """Wrapper to get Mordred descriptors - depends on optional dependency."""
-        from ...extra.data.utils.descriptorsets import Mordred
-
-        return Mordred(*args, **kwargs)
-
-    def getMold2(self, *args, **kwargs):
-        """Wrapper to get Mold2 descriptors - depends on optional dependency."""
-        from ...extra.data.utils.descriptorsets import Mold2
-
-        return Mold2(*args, **kwargs)
-
-    def getPaDEL(self, *args, **kwargs):
-        """Wrapper to get PaDEL descriptors - depends on optional dependency."""
-        from ...extra.data.utils.descriptorsets import PaDEL
-
-        return PaDEL(*args, **kwargs)
-
-    def getRDkit(self, *args, **kwargs):
-        """Wrapper to get rdkit descriptors."""
-        return RDKitDescs(*args, **kwargs)
-
-    def getExtendedValenceSignature(self, *args, **kwargs):
-        from ...extra.data.utils.descriptorsets import ExtendedValenceSignature
-
-        return ExtendedValenceSignature(*args, **kwargs)
-
-    def getPredictorDesc(self, *args, **kwargs):
-        """Wrapper to get predictors as descriptors."""
-        return PredictorDesc(*args, **kwargs)
-
-    def getProDec(self, *args, **kwargs):
-        """Wrapper to get protein descriptorsfrom prodec - depends on optional
-        dependency."""
-        from ...extra.data.utils.descriptorsets import ProDec
-
-        return ProDec(*args, **kwargs)
-
-    def getTanimotoDistances(self, *args, **kwargs):
-        """Wrapper to get bulk tanimoto distances."""
-        return TanimotoDistances(*args, **kwargs)
-
-    def getSmilesDesc(self, *args, **kwargs):
-        """Wrapper to get SMILES as descriptors."""
-        return SmilesDesc(*args, **kwargs)
-
-    def getDataFrame(self, *args, **kwargs):
-        return DataFrameDescriptorSet(*args, **kwargs)
-
-
-def get_descriptor(desc_type: str, *args, **kwargs):
-    """Wrapper to get a descriptorfunction from _DescriptorSetRetriever."""
-    return _DescriptorSetRetriever().getDescriptor(desc_type, *args, **kwargs)
diff --git a/qsprpred/data/utils/folds.py b/qsprpred/data/utils/folds.py
deleted file mode 100644
index 3ac624e5..00000000
--- a/qsprpred/data/utils/folds.py
+++ /dev/null
@@ -1,85 +0,0 @@
-"""A module that provides a class that creates folds from a given data set."""
-from ..interfaces import DataSplit
-from .feature_standardization import apply_feature_standardizer
-
-
-class Folds:
-    """A class that creates folds from a given data set. It can be used for
-    cross-validation."""
-    @staticmethod
-    def toArrays(X, y):
-        """Convert data frames X and y to numpy arrays.
-
-        Arguments:
-            X (pd.DataFrame): feature matrix as a DataFrame
-            y (pd.Series): target values
-
-        Returns:
-            tuple: (X, y) as numpy arrays
-        """
-        return X.values, y.values
-
-    def _standardize_folds(self, folds):
-        """A generator that fits and applies feature standardizers to each fold
-        returned. They are properly fitted on the training set and applied to the
-        test set."""
-        for X_train, X_test, y_train, y_test, train_index, test_index in folds:
-            X_train, standardizer = apply_feature_standardizer(
-                self.featureStandardizer, X_train, fit=True
-            )
-            X_test, _ = apply_feature_standardizer(standardizer, X_test, fit=False)
-            yield X_train, X_test, y_train, y_test, train_index, test_index
-
-    def _make_folds(self, X, y):
-        """A generator that converts folds as returned by the splitter to a tuple of
-        (X_train, X_test, y_train, y_test, train_index, test_index).
-
-        Arguments:
-            X (pd.DataFrame): feature matrix as a DataFrame
-            y (pd.Series): target values
-        Returns:
-            generator: a generator that yields a tuple of
-                (X_train, X_test, y_train, y_test, train_index, test_index)
-        """
-        X_arr, y_arr = self.toArrays(X, y)
-        folds = self.split.split(X_arr, y_arr)
-
-        for train_index, test_index in folds:
-            yield X_arr[train_index, :], X_arr[test_index, :], y_arr[
-                train_index], y_arr[test_index], train_index, test_index
-
-    def __init__(self, split: DataSplit, feature_standardizer=None):
-        """Create a new instance of Folds."""
-        self.split = split
-        self.featureStandardizer = feature_standardizer
-
-    def iterFolds(self, X, y):
-        """Create folds from X and y. Can be used either for cross-validation,
-        bootstrapping or train-test split.
-
-        Each split in the resulting generator is represented by a tuple:
-        (
-            X_train, # feature matrix of the training set
-            X_test, # feature matrix of the test set
-            y_train, # target values of the training set
-            y_test, # target values of the test set
-            train_index, # indices of the training set in the original data set
-            test_index # indices of the test set in the original data set
-        )
-
-        Arguments:
-            X (pd.DataFrame): feature matrix as a DataFrame
-            y (pd.Series): target values
-        Returns:
-            generator: a generator that yields a tuple of
-                (X_train, X_test, y_train, y_test, train_index, test_index)
-
-        """
-        if self.featureStandardizer:
-            return self._standardize_folds(self._make_folds(X, y))
-        else:
-            return self._make_folds(X, y)
-
-    def getFolds(self, X, y):
-        """Directly converts the output of `iterFolds` to a `list`."""
-        return list(self.iterFolds(X, y))
diff --git a/qsprpred/data/utils/scaffolds.py b/qsprpred/data/utils/scaffolds.py
deleted file mode 100644
index e37faaf4..00000000
--- a/qsprpred/data/utils/scaffolds.py
+++ /dev/null
@@ -1,133 +0,0 @@
-from abc import ABC, abstractmethod
-
-
-class Scaffold(ABC):
-    """
-    Abstract base class for calculating molecular scaffolds of different kinds.
-    """
-    @abstractmethod
-    def __call__(self, mol):
-        """
-        Calculate the scaffold for a molecule.
-
-        Args:
-            mol: smiles or rdkit molecule
-
-        Returns:
-            smiles of the scaffold
-        """
-
-    @abstractmethod
-    def __str__(self):
-        pass
-
-
-class Murcko(Scaffold):
-    """Class for calculating Murcko scaffolds of a given molecule."""
-    def __call__(self, mol):
-        """
-        Calculate the Murcko scaffold for a molecule.
-
-        Args:
-            mol: SMILES as `str` or an instance of `Mol`
-
-        Returns:
-            SMILES of the Murcko scaffold as `str`
-        """
-
-        from rdkit import Chem
-        from rdkit.Chem.Scaffolds import MurckoScaffold
-
-        mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
-        scaff = MurckoScaffold.GetScaffoldForMol(mol)
-        return Chem.MolToSmiles(scaff)
-
-    def __str__(self):
-        return "Murcko"
-
-
-class BemisMurcko(Scaffold):
-    """
-    Reimplementation of Bemis-Murcko scaffolds based on a function described in the
-    discussion here: https://sourceforge.net/p/rdkit/mailman/message/37269507/
-
-    This implementation allows more flexibility in terms of what substructures should be
-    kept, converted, and how.
-
-    Credit: Francois Berenger
-    Ref.: Bemis, G. W., & Murcko, M. A. (1996). "The properties of known drugs. 1.
-    Molecular frameworks." Journal of medicinal chemistry, 39(15), 2887-2893.
-
-    """
-    def __init__(
-        self, convert_hetero=True, force_single_bonds=True, remove_terminal_atoms=True
-    ):
-        """
-        Initialize the scaffold generator.
-
-        Args:
-            convert_hetero (bool): Convert hetero atoms to carbons.
-            force_single_bonds (bool): Convert all scaffold's bonds to single ones.
-            remove_terminal_atoms (bool): Remove all terminal atoms, keep only
-                ring linkers.
-        """
-        self.convertHetero = convert_hetero
-        self.forceSingleBonds = force_single_bonds
-        self.removeTerminalAtoms = remove_terminal_atoms
-
-    @staticmethod
-    def findTerminalAtoms(mol):
-        res = []
-
-        for a in mol.GetAtoms():
-            if len(a.GetBonds()) == 1:
-                res.append(a)
-        return res
-
-    def __call__(self, mol):
-        """
-        Calculate the Bemis-Murcko scaffold for a molecule.
-
-        Args:
-            mol: SMILES as `str` or an instance of `Mol`
-
-        Returns:
-            SMILES of the Bemis-Murcko scaffold as `str`
-        """
-
-        from rdkit import Chem
-
-        mol = Chem.MolFromSmiles(mol) if isinstance(mol, str) else mol
-        only_HA = Chem.rdmolops.RemoveHs(mol)
-        rw_mol = Chem.RWMol(only_HA)
-
-        # switch all HA to Carbon
-        if self.convertHetero:
-            for i in range(rw_mol.GetNumAtoms()):
-                rw_mol.ReplaceAtom(i, Chem.Atom(6))
-
-        # switch all non single bonds to single
-        if self.forceSingleBonds:
-            non_single_bonds = []
-            for b in rw_mol.GetBonds():
-                if b.GetBondType() != Chem.BondType.SINGLE:
-                    non_single_bonds.append(b)
-            for b in non_single_bonds:
-                j = b.GetBeginAtomIdx()
-                k = b.GetEndAtomIdx()
-                rw_mol.RemoveBond(j, k)
-                rw_mol.AddBond(j, k, Chem.BondType.SINGLE)
-
-        # as long as there are terminal atoms, remove them
-        if self.removeTerminalAtoms:
-            terminal_atoms = self.findTerminalAtoms(rw_mol)
-            while terminal_atoms:
-                for a in terminal_atoms:
-                    for b in a.GetBonds():
-                        rw_mol.RemoveBond(b.GetBeginAtomIdx(), b.GetEndAtomIdx())
-                    rw_mol.RemoveAtom(a.GetIdx())
-                terminal_atoms = self.findTerminalAtoms(rw_mol)
-            return Chem.MolToSmiles(rw_mol.GetMol())
-
-    def __str__(self):
-        return "Bemis-Murcko"
diff --git a/qsprpred/data_CLI.py b/qsprpred/data_CLI.py
index 7f5385e3..9de10a89 100644
--- a/qsprpred/data_CLI.py
+++ b/qsprpred/data_CLI.py
@@ -2,47 +2,57 @@
 
 import argparse
 import json
-import os
 import os.path
-import random
 import sys
 from datetime import datetime
-from importlib.util import find_spec
 
 import numpy as np
 import optuna
 import pandas as pd
+from boruta import BorutaPy
+from rdkit.Chem.rdFingerprintGenerator import TopologicalTorsionFP
 from sklearn.ensemble import RandomForestClassifier, RandomForestRegressor
 from sklearn.impute import SimpleImputer
 from sklearn.preprocessing import StandardScaler
 
-from .data.data import QSPRDataset
-from .data.utils.datafilters import papyrusLowQualityFilter
-from .data.utils.datasplitters import (
-    ClusterSplit,
-    ManualSplit,
-    RandomSplit,
-    ScaffoldSplit,
-    TemporalSplit,
+from qsprpred.data.descriptors.fingerprints import (
+    MorganFP,
+    RDKitMACCSFP,
+    AtomPairFP,
+    LayeredFP,
+    PatternFP,
+    RDKitFP,
+    AvalonFP,
+)
+from qsprpred.data.chem.clustering import (
+    FPSimilarityMaxMinClusters,
+    FPSimilarityLeaderPickerClusters
 )
-from .data.utils.descriptorcalculator import MoleculeDescriptorsCalculator
-from .data.utils.descriptorsets import (
+from qsprpred.data.descriptors.sets import (
     DrugExPhyschem,
-    FingerprintSet,
     PredictorDesc,
     RDKitDescs,
     SmilesDesc,
 )
-from .data.utils.featurefilters import (
+from qsprpred.data.processing.data_filters import papyrusLowQualityFilter
+from qsprpred.data.processing.feature_filters import (
     BorutaFilter,
     HighCorrelationFilter,
     LowVarianceFilter,
 )
-from .data.utils.scaffolds import Murcko
+from qsprpred.data.sampling.splits import (
+    ClusterSplit,
+    ManualSplit,
+    RandomSplit,
+    ScaffoldSplit,
+    TemporalSplit,
+)
+from qsprpred.data.tables.qspr import QSPRDataset
+from qsprpred.tasks import TargetTasks
+from .data.chem.scaffolds import Murcko
 from .extra.gpu.models.dnn import DNNModel
 from .logs.utils import backup_files, enable_file_logger
-from .models.sklearn import SklearnModel
-from .models.tasks import TargetTasks
+from .models.scikit_learn import SklearnModel
 
 
 def QSPRArgParser(txt=None):
@@ -90,8 +100,7 @@ def QSPRArgParser(txt=None):
         "--smiles_col",
         type=str,
         default="SMILES",
-        help="Name of the column in the dataset\
-                        containing the smiles.",
+        help="Name of the column in the dataset containing the smiles.",
     )
     parser.add_argument(
         "-pr",
@@ -106,7 +115,16 @@ def QSPRArgParser(txt=None):
         ),
     )
     parser.add_argument(
-        "-im", "--imputation", type=str, choices=["mean", "median", "most_frequent"]
+        "-im",
+        "--imputation",
+        type=json.loads,
+        help=(
+            "Imputation method for missing values. Specify the imputation method as a "
+            "dictionary with the property name as key and the imputation method as "
+            "value, e.g. -im \"{'CL':'mean','fu':'median'}\". Note: no spaces and "
+            "surrounded by single quotes. Choose from 'mean', 'median', 'most_frequent'"
+        ),
+        default={},
     )
     # model type arguments
     parser.add_argument(
@@ -114,8 +132,7 @@ def QSPRArgParser(txt=None):
         "--regression",
         type=str,
         default=None,
-        help=
-        "If True, only regression model, if False, only classification, default both",
+        help="If True, only regression model, if False, only classification, default both",
     )
     parser.add_argument(
         "-th",
@@ -136,8 +153,8 @@ def QSPRArgParser(txt=None):
         "-lq",
         "--low_quality",
         action="store_true",
-        help="If lq, than low quality data will be \
-                        should be a column 'Quality' where all 'Low' will be removed",
+        help="If lq, than low quality data will be should be a column 'Quality' where "
+        "all 'Low' will be removed",
     )
     parser.add_argument(
         "-tr",
@@ -218,7 +235,7 @@ def QSPRArgParser(txt=None):
             "Mold2",
             "PaDEL",
             "DrugEx",
-            "Signature"
+            "Signature",
             "MaccsFP",
             "AvalonFP",
             "TopologicalFP",
@@ -247,22 +264,23 @@ def QSPRArgParser(txt=None):
         "--low_variability",
         type=float,
         default=None,
-        help="low variability threshold\
-                        for feature removal.",
+        help="low variability threshold for feature removal.",
     )
     parser.add_argument(
         "-hc",
         "--high_correlation",
         type=float,
         default=None,
-        help="high correlation threshold\
-                        for feature removal.",
+        help="high correlation threshold for feature removal.",
     )
     parser.add_argument(
         "-bf",
         "--boruta_filter",
-        action="store_true",
-        help="boruta filter with random forest",
+        type=float,
+        default=None,
+        help="Boruta filter with random forest estimator, value between 0 and 100 "
+        "for percentile threshold for comparison between shadow and real features"
+        "see https://github.com/scikit-learn-contrib/boruta_py for more info.",
     )
     # other
     parser.add_argument(
@@ -315,7 +333,8 @@ def QSPR_dataprep(args):
                 else:
                     task = (
                         TargetTasks.SINGLECLASS
-                        if len(th) == 1 else TargetTasks.MULTICLASS
+                        if len(th) == 1
+                        else TargetTasks.MULTICLASS
                     )
                 if task == TargetTasks.REGRESSION and th:
                     log.warning(
@@ -324,42 +343,33 @@ def QSPR_dataprep(args):
                     )
                     th = None
                 transform_dict = {
-                    "log10": np.log10,
-                    "log2": np.log2,
-                    "log": np.log,
-                    "sqrt": np.sqrt,
-                    "cbrt": np.cbrt,
-                    "exp": np.exp,
-                    "square": np.square,
-                    "cube": lambda x: np.power(x, 3),
-                    "reciprocal": np.reciprocal,
+                    "log10": lambda x: (__import__("numpy").log10(x)),
+                    "log2": lambda x: (__import__("numpy").log2(x)),
+                    "log": lambda x: (__import__("numpy").log(x)),
+                    "sqrt": lambda x: (__import__("numpy").sqrt(x)),
+                    "cbrt": lambda x: (__import__("numpy").cbrt(x)),
+                    "exp": lambda x: (__import__("numpy").exp(x)),
+                    "square": lambda x: __import__("numpy").power(x, 2),
+                    "cube": lambda x: __import__("numpy").power(x, 3),
+                    "reciprocal": lambda x: __import__("numpy").reciprocal(x),
                 }
                 target_props.append(
                     {
-                        "name":
-                            prop,
-                        "task":
-                            task,
-                        "th":
-                            th,
-                        "transformer":
-                            transform_dict[args.transform_data[prop]]
-                            if prop in args.transform_data else None,
+                        "name": prop,
+                        "task": task,
+                        "th": th,
+                        "transformer": transform_dict[args.transform_data[prop]]
+                        if prop in args.transform_data
+                        else None,
+                        "imputer": SimpleImputer(strategy=args.imputation[prop])
+                        if prop in args.imputation
+                        else None
                     }
                 )
-            # missing value imputation
-            if args.imputation is not None:
-                if args.imputation == "mean":
-                    imputer = SimpleImputer(strategy="mean")
-                elif args.imputation == "median":
-                    imputer = SimpleImputer(strategy="median")
-                elif args.imputation == "most_frequent":
-                    imputer = SimpleImputer(strategy="most_frequent")
-                else:
-                    sys.exit("invalid impute arg given")
             dataset_name = (
                 f"{props_name}_{task}_{args.data_suffix}"
-                if args.data_suffix else f"{props_name}_{task}"
+                if args.data_suffix
+                else f"{props_name}_{task}"
             )
             mydataset = QSPRDataset(
                 dataset_name,
@@ -369,12 +379,14 @@ def QSPR_dataprep(args):
                 n_jobs=args.ncpu,
                 store_dir=args.output_dir,
                 overwrite=True,
-                target_imputer=imputer if args.imputation is not None else None,
+                random_state=args.random_state
+                if args.random_state is not None
+                else None,
             )
             # data filters
-            datafilters = []
+            data_filters = []
             if args.low_quality:
-                datafilters.append(papyrusLowQualityFilter())
+                data_filters.append(papyrusLowQualityFilter())
             # data splitter
             if args.split == "scaffold":
                 split = ScaffoldSplit(
@@ -399,9 +411,13 @@ def QSPR_dataprep(args):
                     splitcol=df["datasplit"], trainval="train", testval="test"
                 )
             elif args.split == "cluster":
+                if args.split_cluster_method == "MaxMin":
+                    clustering = FPSimilarityMaxMinClusters()
+                elif args.split_cluster_method == "LeaderPicker":
+                    clustering = FPSimilarityLeaderPickerClusters()
                 split = ClusterSplit(
                     test_fraction=args.split_fraction,
-                    clustering_algorithm=args.split_clustering_method,
+                    clustering=clustering,
                     dataset=mydataset,
                 )
             else:
@@ -413,16 +429,14 @@ def QSPR_dataprep(args):
             # Avoid importing optional dependencies if not needed
             f_arr = np.array(args.features)
             if np.isin(["Mordred", "Mold2", "PaDEL", "Signature"], f_arr).any():
-                from .extra.data.utils.descriptorsets import (
+                from qsprpred.extra.data.descriptors.sets import (
                     ExtendedValenceSignature,
                     Mold2,
                     Mordred,
                     PaDEL,
                 )
             if "Morgan" in args.features:
-                descriptorsets.append(
-                    FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=2048)
-                )
+                descriptorsets.append(MorganFP(radius=3, nBits=2048))
             if "RDkit" in args.features:
                 descriptorsets.append(RDKitDescs())
             if "Mordred" in args.features:
@@ -436,21 +450,19 @@ def QSPR_dataprep(args):
             if "Signature" in args.features:
                 descriptorsets.append(ExtendedValenceSignature(depth=1))
             if "MaccsFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="MACCS"))
+                descriptorsets.append(RDKitMACCSFP())
             if "AtomPairFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="AtomPairFP"))
+                descriptorsets.append(AtomPairFP())
             if "TopologicalFP" in args.features:
-                descriptorsets.append(
-                    FingerprintSet(fingerprint_type="TopologicalTorsionFP")
-                )
+                descriptorsets.append(TopologicalTorsionFP())
             if "AvalonFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="AvalonFP"))
+                descriptorsets.append(AvalonFP())
             if "RDKitFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="RDKitFP"))
+                descriptorsets.append(RDKitFP())
             if "PatternFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="PatternFP"))
+                descriptorsets.append(PatternFP())
             if "LayeredFP" in args.features:
-                descriptorsets.append(FingerprintSet(fingerprint_type="LayeredFP"))
+                descriptorsets.append(LayeredFP())
             if "Smiles" in args.features:
                 descriptorsets.append(SmilesDesc())
             if args.predictor_descs:
@@ -471,25 +483,32 @@ def QSPR_dataprep(args):
             if args.high_correlation:
                 featurefilters.append(HighCorrelationFilter(th=args.high_correlation))
             if args.boruta_filter:
-                if args.regression:
-                    featurefilters.append(
-                        BorutaFilter(estimator=RandomForestRegressor(n_jobs=args.ncpu))
+                # boruta filter can not be used for multi-task models
+                if len(props) > 1:
+                    raise ValueError(
+                        "Boruta filter can not be used for multi-task models"
                     )
-                else:
-                    featurefilters.append(
-                        BorutaFilter(
-                            estimator=RandomForestClassifier(n_jobs=args.ncpu)
-                        )
+                boruta_estimator = (
+                    RandomForestRegressor(n_jobs=args.ncpu)
+                    if args.regression
+                    else RandomForestClassifier(n_jobs=args.ncpu)
+                )
+                featurefilters.append(
+                    BorutaFilter(
+                        BorutaPy(estimator=boruta_estimator, perc=args.boruta_filter),
+                        args.random_state,
                     )
+                )
             # prepare dataset for modelling
             mydataset.prepareDataset(
-                feature_calculators=[MoleculeDescriptorsCalculator(descriptorsets)],
-                datafilters=datafilters,
+                feature_calculators=descriptorsets,
+                data_filters=data_filters,
                 split=split,
                 feature_filters=featurefilters,
                 feature_standardizer=StandardScaler()
-                if "Smiles" not in args.features else None,
-                feature_fill_value=0.0,
+                if "Smiles" not in args.features
+                else None,
+                feature_fill_value=args.fill_value,
             )
 
             # save dataset files and fingerprints
@@ -499,30 +518,23 @@ def QSPR_dataprep(args):
 if __name__ == "__main__":
     args = QSPRArgParser()
 
-    # Set random seeds
-    random.seed(args.random_state)
-    np.random.seed(args.random_state)
-    if find_spec("torch") is not None:
-        import torch
-
-        torch.manual_seed(args.random_state)
-    os.environ["TF_DETERMINISTIC_OPS"] = str(args.random_state)
-
     # check input file and output directory exist
     if not os.path.exists(args.input):
         raise FileNotFoundError(f"Input file {args.input} not found.")
     if not os.path.exists(args.output_dir):
         os.makedirs(args.output_dir)
 
-    # Backup files
-    tasks = ["REG" if reg is True else "CLS" for reg in args.regression]
-    file_prefixes = [
-        f"{property}_{task}" for task in tasks for property in args.properties
-    ]
+    # get a list of all the folders in the output directory
+    folders = [f for f in os.listdir(args.output_dir) if os.path.isdir(f"{args.output_dir}/{f}")]
+
+    # remove folders that start with backup
+    folders = [f for f in folders if not f.startswith("backup")]
+
+
     if not args.skip_backup:
         backup_msg = backup_files(
             args.output_dir,
-            tuple(file_prefixes),
+            tuple(folders),
             cp_suffix=["calculators", "standardizer", "meta"],
         )
 
diff --git a/qsprpred/extra/data/descriptors/__init__.py b/qsprpred/extra/data/descriptors/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/extra/data/descriptors/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/extra/data/utils/descriptor_utils/fingerprints.py b/qsprpred/extra/data/descriptors/fingerprints.py
similarity index 83%
rename from qsprpred/extra/data/utils/descriptor_utils/fingerprints.py
rename to qsprpred/extra/data/descriptors/fingerprints.py
index 5c84bf1b..c38fe477 100644
--- a/qsprpred/extra/data/utils/descriptor_utils/fingerprints.py
+++ b/qsprpred/extra/data/descriptors/fingerprints.py
@@ -11,13 +11,15 @@
 - `CDKKlekotaRothFP`: CDK hashed Klekota-Roth fingerprint
 
 """
+from typing import Any
 
 import numpy as np
 from PaDEL_pywrapper import PaDEL as PaDEL_calculator
 from PaDEL_pywrapper import descriptor as cdk_fps
 from rdkit import Chem
+from rdkit.Chem import Mol
 
-from .....data.utils.descriptor_utils.fingerprints import Fingerprint
+from qsprpred.data.descriptors.fingerprints import Fingerprint
 
 
 class CDKFP(Fingerprint):
@@ -27,6 +29,7 @@ class CDKFP(Fingerprint):
         size (int): size of the fingerprint
         searchDepth (int): search depth of the fingerprint
     """
+
     def __init__(self, size: int = 1024, search_depth: int = 7):
         """Initialize the CDK fingerprint.
 
@@ -35,11 +38,14 @@ def __init__(self, size: int = 1024, search_depth: int = 7):
             search_depth (int): search depth of the fingerprint
         """
         self.size = size
+        super().__init__()
         self.searchDepth = search_depth
         fp = cdk_fps.FP(size=size, searchDepth=search_depth)
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK fingerprint for the input molecules.
 
         Args:
@@ -59,17 +65,21 @@ def settings(self):
     def __len__(self):
         return self.size
 
-    def getKey(self):
+    def __str__(self):
         return "CDKFP"
 
 
 class CDKExtendedFP(Fingerprint):
     """CDK extended fingerprint with 25 additional ring features and isotopic masses."""
+
     def __init__(self):
+        super().__init__()
         fp = cdk_fps.ExtendedFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK extended fingerprint for the input molecules.
 
         Args:
@@ -81,24 +91,24 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {}
-
     def __len__(self):
         return 1024
 
-    def getKey(self):
+    def __str__(self):
         return "CDKExtendedFP"
 
 
 class CDKEStateFP(Fingerprint):
     """CDK EState fingerprint."""
+
     def __init__(self):
+        super().__init__()
         fp = cdk_fps.EStateFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK estate fingerprint for the input molecules.
 
         Args:
@@ -110,14 +120,10 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {}
-
     def __len__(self):
         return 79
 
-    def getKey(self):
+    def __str__(self):
         return "CDKEStateFP"
 
 
@@ -128,13 +134,17 @@ class CDKGraphOnlyFP(Fingerprint):
         size (int): Number of bits in the CDK fingerprints (ignored for others)
         searchDepth (int): Search depth for the CDK fingerprints (ignored for others)
     """
+
     def __init__(self, size: int = 1024, search_depth: int = 7):
         self.size = size
+        super().__init__()
         self.searchDepth = search_depth
         fp = cdk_fps.GraphOnlyFP(size=size, searchDepth=self.searchDepth)
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK graph only fingerprint for the input molecules.
 
         Args:
@@ -146,24 +156,24 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {"size": self.size, "search_depth": self.searchDepth}
-
     def __len__(self):
         return self.size
 
-    def getKey(self):
+    def __str__(self):
         return "CDKGraphOnlyFP"
 
 
 class CDKMACCSFP(Fingerprint):
     """CDK MACCS fingerprint."""
+
     def __init__(self):
+        super().__init__()
         fp = cdk_fps.MACCSFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK MACCS fingerprint for the input molecules.
 
         Args:
@@ -175,24 +185,24 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {}
-
     def __len__(self):
         return 166
 
-    def getKey(self):
+    def __str__(self):
         return "CDKMACCSFP"
 
 
 class CDKPubchemFP(Fingerprint):
     """CDK PubChem fingerprint."""
+
     def __init__(self):
+        super().__init__()
         fp = cdk_fps.PubchemFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols):
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK PubChem fingerprint for the input molecules.
 
         Args:
@@ -203,14 +213,10 @@ def getFingerprints(self, mols):
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {}
-
     def __len__(self):
         return 881
 
-    def getKey(self):
+    def __str__(self):
         return "CDKPubchemFP"
 
 
@@ -223,7 +229,9 @@ class CDKSubstructureFP(Fingerprint):
         useCounts (bool):
             whether to use counts instead of presence/absence
     """
+
     def __init__(self, use_counts: bool = False):
+        super().__init__()
         self.useCounts = use_counts
         if use_counts:
             fp = cdk_fps.SubstructureFPCount
@@ -231,7 +239,9 @@ def __init__(self, use_counts: bool = False):
             fp = cdk_fps.SubstructureFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK Substructure fingerprint for the input molecules.
 
         Args:
@@ -243,14 +253,10 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {"use_counts": self.useCounts}
-
     def __len__(self):
         return 307
 
-    def getKey(self):
+    def __str__(self):
         if self.useCounts:
             return "CDKSubstructureFPCount"
         return "CDKSubstructureFP"
@@ -258,6 +264,7 @@ def getKey(self):
 
 class CDKKlekotaRothFP(Fingerprint):
     """CDK Klekota & Roth fingerprint."""
+
     def __init__(self, use_counts: bool = False):
         """Initialise the fingerprint.
 
@@ -265,6 +272,7 @@ def __init__(self, use_counts: bool = False):
             use_counts (bool):
                 whether to use counts instead of presence/absence
         """
+        super().__init__()
         self.useCounts = use_counts
         if use_counts:
             fp = cdk_fps.KlekotaRothFPCount
@@ -272,7 +280,9 @@ def __init__(self, use_counts: bool = False):
             fp = cdk_fps.KlekotaRothFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """Return the CDK Klekota & Roth fingerprint for the input molecules.
 
         Args:
@@ -284,14 +294,10 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {"use_counts": self.useCounts}
-
     def __len__(self):
         return 4860
 
-    def getKey(self):
+    def __str__(self):
         if self.useCounts:
             return "CDKKlekotaRothFPCount"
         return "CDKKlekotaRothFP"
@@ -304,6 +310,7 @@ class CDKAtomPairs2DFP(Fingerprint):
         useCounts (bool):
             whether to use counts instead of presence/absence
     """
+
     def __init__(self, use_counts: bool = False):
         """
         Initialise the fingerprint.
@@ -312,6 +319,7 @@ def __init__(self, use_counts: bool = False):
             use_counts:
                 whether to use counts instead of presence/absence
         """
+        super().__init__()
         self.useCounts = use_counts
         if use_counts:
             fp = cdk_fps.AtomPairs2DFPCount
@@ -319,7 +327,9 @@ def __init__(self, use_counts: bool = False):
             fp = cdk_fps.AtomPairs2DFP
         self._padel = PaDEL_calculator([fp])
 
-    def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         """
         Return the CDK atom pairs and topological fingerprint for the input molecules.
 
@@ -332,14 +342,10 @@ def getFingerprints(self, mols: list[Chem.Mol]) -> np.ndarray:
         """
         return self._padel.calculate(mols, show_banner=False).values
 
-    @property
-    def settings(self):
-        return {"use_counts": self.useCounts}
-
     def __len__(self):
         return 780
 
-    def getKey(self):
+    def __str__(self):
         if self.useCounts:
             return "CDKAtomPairs2DFPCount"
         return "CDKAtomPairs2DFP"
diff --git a/qsprpred/extra/data/utils/descriptorsets.py b/qsprpred/extra/data/descriptors/sets.py
similarity index 71%
rename from qsprpred/extra/data/utils/descriptorsets.py
rename to qsprpred/extra/data/descriptors/sets.py
index bdf67238..d62f89ce 100644
--- a/qsprpred/extra/data/utils/descriptorsets.py
+++ b/qsprpred/extra/data/descriptors/sets.py
@@ -6,25 +6,27 @@
 - `ProDec`: Protein descriptors from the ProDec package.
 
 """
-
+import os
 from abc import abstractmethod
-from typing import Optional
+from typing import Optional, Any
 
 import mordred
 import numpy as np
 import pandas as pd
 import prodec
 from Mold2_pywrapper import Mold2 as Mold2_calculator
-from mordred import descriptors as Mordred_descriptors
 from PaDEL_pywrapper import PaDEL as PaDELCalculator
 from PaDEL_pywrapper import descriptors as PaDEL_descriptors
-from rdkit import Chem
 from Signature_pywrapper import Signature as Signature_calculator
+from mordred import descriptors as Mordred_descriptors
+from rdkit import Chem
+from rdkit.Chem import Mol
 
-from ....data.utils.descriptorsets import DescriptorSet, MoleculeDescriptorSet
+from qsprpred.data.descriptors.sets import DescriptorSet
+from qsprpred.extra.data.utils.msa_calculator import MSAProvider, ClustalMSA
 
 
-class Mordred(MoleculeDescriptorSet):
+class Mordred(DescriptorSet):
     """Descriptors from molecular descriptor calculation software Mordred.
 
     From https://github.com/mordred-descriptor/mordred.
@@ -37,6 +39,7 @@ class Mordred(MoleculeDescriptorSet):
         config (str): path to config file if available
 
     """
+
     def __init__(
         self,
         descs: list[str] | None = None,
@@ -57,6 +60,7 @@ def __init__(
             ignore_3D (bool): ignore 3D information
             config (str): path to config file?
         """
+        super().__init__()
         if descs:
             # if mordred descriptor module is passed,
             # convert to list of descriptor instances
@@ -69,29 +73,17 @@ def __init__(
         self.version = version
         self.ignore3D = ignore_3D
         self.config = config
-        self._isFP = False
         self._mordred = None
         # convert to list of descriptor names if descriptor instances are passed
         self.descriptors = [str(d) for d in descs]
 
-    def __call__(self, mols: list[str, Chem.Mol]) -> [pd.DataFrame, np.ndarray]:
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         df = self._mordred.pandas(self.iterMols(mols), quiet=True, nproc=1)
         df = df.apply(pd.to_numeric, errors="coerce")  # replace errors by nan values
         return df.values
 
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {
-            "descs": self.descriptors,
-            "version": self.version,
-            "ignore_3D": self.ignore3D,
-            "config": self.config,
-        }
-
     @property
     def descriptors(self):
         return self._descriptors
@@ -119,7 +111,7 @@ def __str__(self):
         return "Mordred"
 
 
-class Mold2(MoleculeDescriptorSet):
+class Mold2(DescriptorSet):
     """Descriptors from molecular descriptor calculation software Mold2.
 
     From https://github.com/OlivierBeq/Mold2_pywrapper.
@@ -129,6 +121,7 @@ class Mold2(MoleculeDescriptorSet):
     Arguments:
         descs: names of Mold2 descriptors to be calculated (e.g. D001)
     """
+
     def __init__(self, descs: list[str] | None = None):
         """Initialize a Mold2 descriptor calculator.
 
@@ -136,7 +129,7 @@ def __init__(self, descs: list[str] | None = None):
             descs (list[str] | None):
                 names of Mold2 descriptors to be calculated (e.g. D001)
         """
-        self._isFP = False
+        super().__init__()
         self._descs = descs
         self._mold2 = Mold2_calculator()
         self._defaultDescs = self._mold2.calculate(
@@ -145,20 +138,18 @@ def __init__(self, descs: list[str] | None = None):
         self._descriptors = self._defaultDescs[:]
         self._keepindices = list(range(len(self._descriptors)))
 
-    def __call__(self, mols: list[str, Chem.Mol]) -> [pd.DataFrame, np.ndarray]:
+    @property
+    def supportsParallel(self) -> bool:
+        return False
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         values = self._mold2.calculate(self.iterMols(mols), show_banner=False)
         # Drop columns
         values = values[self._descriptors].values
         return values
 
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {"descs": self._descs}
-
     @property
     def descriptors(self):
         return self._descriptors
@@ -194,7 +185,7 @@ def __str__(self):
         return "Mold2"
 
 
-class PaDEL(MoleculeDescriptorSet):
+class PaDEL(DescriptorSet):
     """Descriptors from molecular descriptor calculation software PaDEL.
 
     From https://github.com/OlivierBeq/PaDEL_pywrapper.
@@ -202,46 +193,60 @@ class PaDEL(MoleculeDescriptorSet):
     Attributes:
         descriptors (list[str]): list of PaDEL descriptor names
     """
-    def __init__(self, descs: list[str] | None = None, ignore_3D: bool = True):
+
+    _notJSON = ["_nameMapping", "_padel", "_descriptors", *DescriptorSet._notJSON]
+
+    def __init__(
+        self,
+        descs: list[str] | None = None,
+        ignore_3d: bool = True,
+        n_jobs: int | None = None,
+    ):
         """Initialize a PaDEL calculator
 
         Args:
             descs: list of PaDEL descriptor short names
-            ignore_3D (bool): skip 3D descriptor calculation
+            ignore_3d (bool): skip 3D descriptor calculation
         """
+        super().__init__()
+        self.nJobs = n_jobs or os.cpu_count()
         self._descs = descs
-        self._ignore3D = ignore_3D
+        self._ignore3D = ignore_3d
+        # Initialize name mapping
+        self._initMapping()
+        # Initialize descriptors and calculator
+        if descs is None:
+            self.descriptors = None
+        else:
+            self.descriptors = descs
 
-        self._isFP = False
+    @property
+    def supportsParallel(self) -> bool:
+        return False
 
+    def _initMapping(self):
         # Obtain default descriptor names
         self._nameMapping = {}
         for descriptor in PaDEL_descriptors:
             # Skip if desc is 3D and set to be ignored
-            if ignore_3D and descriptor.is_3D:
+            if self._ignore3D and descriptor.is_3D:
                 continue
             for name in descriptor.description.name:
                 self._nameMapping[name] = descriptor
-        # Initialize descriptors and calculator
-        if descs is None:
-            self.descriptors = None
-        else:
-            self.descriptors = descs
-
-    def __call__(self, mols: list[str, Chem.Mol]) -> [pd.DataFrame, np.ndarray]:
-        mols = [Chem.AddHs(mol) for mol in self.iterMols(mols)]
-        values = self._padel.calculate(mols, show_banner=False, njobs=1)
-        intersection = list(set(self._keep).intersection(values.columns))
-        values = values[intersection]
-        return values
 
-    @property
-    def isFP(self):
-        return self._isFP
+    def __setstate__(self, state):
+        self.__dict__.update(state)
+        self._initMapping()
+        self.descriptors = state["_keep"]
 
-    @property
-    def settings(self):
-        return {"descs": self._descs, "ignore_3D": self._ignore3D}
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
+        mols = [Chem.AddHs(mol) for mol in self.iterMols(mols)]
+        df = self._padel.calculate(mols, show_banner=False, njobs=self.nJobs)
+        intersection = list(set(self._keep).intersection(df.columns))
+        df = df[intersection]
+        return df.values
 
     @property
     def descriptors(self):
@@ -271,7 +276,8 @@ def descriptors(self, names: list[str] | None = None):
         if names is None:
             self._keep = [
                 name
-                for name, desc in self._nameMapping.items() if desc in self._descriptors
+                for name, desc in self._nameMapping.items()
+                if desc in self._descriptors
             ]
         else:
             self._keep = names
@@ -280,7 +286,7 @@ def __str__(self):
         return "PaDEL"
 
 
-class ExtendedValenceSignature(MoleculeDescriptorSet):
+class ExtendedValenceSignature(DescriptorSet):
     """SMILES signature based on extended valence sequence from
 
     The Signature Molecular Descriptor.
@@ -290,41 +296,38 @@ class ExtendedValenceSignature(MoleculeDescriptorSet):
     Journal of Chemical Information and Computer Sciences 2003 43 (3), 707-720
     DOI: 10.1021/ci020345w
     """
+
     def __init__(self, depth: int | list[int]):
         """Initialize a ExtendedValenceSignature calculator
 
         Args:
             depth: depth of the signature
         """
+        super().__init__()
         self._depth = depth
-        self._isFP = False
         self._signature = Signature_calculator()
         self._descriptors = []
         # Flag initialization of descriptors after first calculation
         self._descriptors_init = False
-        # Force calculator to be single process
-        self.noParallelization = True
 
-    def __call__(self, mols):
+    @property
+    def supportsParallel(self) -> bool:
+        return False
+
+    def getDescriptors(
+        self, mols: list[Mol], props: dict[str, list[Any]], *args, **kwargs
+    ) -> np.ndarray:
         mols = [Chem.AddHs(mol) for mol in self.iterMols(mols)]
-        values = self._signature.calculate(
+        df = self._signature.calculate(
             mols, depth=self._depth, show_banner=False, njobs=1
         ).fillna(0)
         if not self._descriptors_init:
-            self._descriptors = values.columns.tolist()
+            self.descriptors = df.columns.tolist()
             self._descriptors_init = True
         else:
-            intersection = list(set(self._descriptors).intersection(values.columns))
-            values = values[intersection]
-        return values
-
-    @property
-    def isFP(self):
-        return self._isFP
-
-    @property
-    def settings(self):
-        return {"depth": self._depth}
+            intersection = list(set(self.descriptors).intersection(df.columns))
+            df = df[intersection]
+        return df.values
 
     @property
     def descriptors(self):
@@ -343,23 +346,12 @@ def __str__(self):
 
 
 class ProteinDescriptorSet(DescriptorSet):
-    """
-    Abstract base class for protein descriptor sets.
+    """Abstract base class for protein descriptor sets."""
 
-    Arguments:
-        acc_keys: target accession keys, the resulting data frame will be indexed by
-        these keys
-        sequences: optional list of protein sequences matched to the accession keys
-        **kwargs: additional data mapped to the accession keys, each parameter
-            should follow the same format as the sequences (dict(str : str))
-    """
     @abstractmethod
-    def __call__(
-        self,
-        acc_keys: list[str],
-        sequences: Optional[dict[str, str]] = None,
-        **kwargs
-    ):
+    def getProteinDescriptors(
+        self, acc_keys: list[str], sequences: Optional[dict[str, str]] = None, **kwargs
+    ) -> pd.DataFrame:
         """
         Calculate the protein descriptors for a given target.
 
@@ -378,37 +370,46 @@ def __call__(
                 indexed by `acc_keys`
         """
 
+    def getDescriptors(
+        self,
+        mols: list[Mol],
+        props: dict[str, list[Any] | dict[str, str]],
+        *args,
+        **kwargs,
+    ) -> np.ndarray:
+        """Get array of calculated protein descriptors for given targets.
 
-class NeedsMSAMixIn:
-    """Provides an interface for protein descriptors that require
-    a multiple sequence alignment.
-
-    Derive from this interface and implement to receive a multiple sequence alignment
-    from `ProteinDescriptorCalculator`.
-
-    Attributes:
-        msa (dict[str, str]):
-            mapping of accession keys to sequences with gaps
-            from the multiple sequence alignment
-
-    """
-    def __init__(self):
-        self.msa = None
+        Args:
+            mols (list[Mol]): list of molecules, not used
+            props (dict[str, list[Any]  |  dict[str, str]]): dictionary of properties
+                for the molecules, including the accession keys
+            *args: additional arguments, not used
+            **kwargs: additional keyword arguments, passed to `getProteinDescriptors`
 
-    def setMSA(self, msa: dict[str, str]):
+        Returns:
+            np.ndarray: array of calculated protein descriptors
         """
-        Set the multiple sequence alignment for the protein descriptor set.
+        # Get array of calculated protein descriptors
+        acc_keys = sorted(set(props["acc_keys"]))
+        values = self.getProteinDescriptors(acc_keys, **kwargs).reset_index()
+        values.rename(columns={"ID": "acc_keys"}, inplace=True)
+        # create a data frame with the same order of acc_keys as in props
+        df = pd.DataFrame({"acc_keys": props["acc_keys"]})
+        # merge the calculated values with the data frame to attach them to the rows
+        df = df.merge(values, left_on="acc_keys", right_on="acc_keys",
+                      how="left").set_index("acc_keys")
+        return df.values
 
-        Args:
-            msa (dict):
-                mapping of accession keys to gapped sequences as obtained
-                from the multiple sequence alignment (all values must
-                be the same length)
-        """
-        self.msa = msa
+    @property
+    def requiredProps(self) -> list[str]:
+        existing = super().requiredProps
+        return ["acc_keys", *existing]
+
+    def supportsParallel(self) -> bool:
+        return False
 
 
-class ProDec(ProteinDescriptorSet, NeedsMSAMixIn):
+class ProDec(ProteinDescriptorSet):
     """Protein descriptors from the ProDec package.
 
     See https://github.com/OlivierBeq/ProDEC.
@@ -419,7 +420,10 @@ class ProDec(ProteinDescriptorSet, NeedsMSAMixIn):
         factory (prodec.ProteinDescriptors):
             factory to calculate descriptors
     """
-    def __init__(self, sets: list[str] | None = None):
+
+    def __init__(
+        self, sets: list[str] | None = None, msa_provider: MSAProvider = ClustalMSA()
+    ):
         """Initialize a ProDec calculator.
 
         Args:
@@ -428,10 +432,22 @@ def __init__(self, sets: list[str] | None = None):
                 (see https://github.com/OlivierBeq/ProDEC)
         """
         super().__init__()
-        self._settings = {"sets": sets}
         self.factory = prodec.ProteinDescriptors()
         self.sets = self.factory.available_descriptors if sets is None else sets
-        self._descriptors = None
+        self._descriptors = []
+        self.msaProvider = msa_provider
+        self.msa = None
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        # Remove factory from state
+        del o_dict["factory"]
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        # Add factory to state
+        self.factory = prodec.ProteinDescriptors()
 
     @staticmethod
     def calculateDescriptor(
@@ -459,15 +475,11 @@ def calculateDescriptor(
         prodec_descriptor = factory.get_descriptor(descriptor)
         # Calculate descriptor features for aligned sequences of interest
         protein_features = prodec_descriptor.pandas_get(msa.values(), ids=msa.keys())
-        protein_features.set_index("ID", inplace=True)
         return protein_features
 
-    def __call__(
-        self,
-        acc_keys: list[str],
-        sequences: Optional[dict[str, str]] = None,
-        **kwargs
-    ):
+    def getProteinDescriptors(
+        self, acc_keys: list[str], sequences: Optional[dict[str, str]] = None, **kwargs
+    ) -> pd.DataFrame:
         """
         Calculate the protein descriptors for a given target.
 
@@ -483,40 +495,34 @@ def __call__(
         Returns:
             a data frame of descriptor values of shape (acc_keys, n_descriptors),
         """
+        # calculate MSA
+        if not self.msa:
+            self.msa = self.msaProvider(sequences, **kwargs)
         # calculate descriptors
-        df = pd.DataFrame(index=pd.Index(acc_keys, name="ID"))
+        dfs = []
         for descriptor in self.sets:
-            df = df.merge(
-                self.calculateDescriptor(self.factory, self.msa, descriptor),
-                left_index=True,
-                right_index=True,
-            )
+            dfs.append(self.calculateDescriptor(self.factory, self.msa, descriptor))
+        df = pd.concat(dfs, axis=1)
+        df.set_index("ID", inplace=True, drop=True)
         # Keep only descriptors that were requested to keep
         if not self._descriptors:
-            self._descriptors = df.columns.tolist()
+            self._descriptors = sorted(df.columns.tolist())
         else:
             df.drop(
                 columns=[col for col in df.columns if col not in self._descriptors],
                 inplace=True,
             )
-
+        # reorder columns to reflect the order of descriptors
+        df = df[self.descriptors]
         return df
 
     @property
     def descriptors(self):
-        return self._descriptors
+        return sorted(self._descriptors)
 
     @descriptors.setter
     def descriptors(self, value):
         self._descriptors = value
 
-    @property
-    def isFP(self):
-        return False
-
-    @property
-    def settings(self):
-        return self._settings
-
     def __str__(self):
-        return "ProDec"
+        return "ProDec_" + "_".join(self.sets)
diff --git a/qsprpred/extra/data/descriptors/tests.py b/qsprpred/extra/data/descriptors/tests.py
new file mode 100644
index 00000000..9b413769
--- /dev/null
+++ b/qsprpred/extra/data/descriptors/tests.py
@@ -0,0 +1,364 @@
+import platform
+from typing import Type
+from unittest import TestCase, skipIf
+
+import numpy as np
+from parameterized import parameterized
+from sklearn.preprocessing import StandardScaler
+
+from qsprpred import TargetTasks, TargetProperty
+from qsprpred.data import RandomSplit
+from qsprpred.data.descriptors.fingerprints import MorganFP
+from qsprpred.data.descriptors.sets import (
+    DrugExPhyschem,
+    DescriptorSet,
+)
+from qsprpred.data.processing.feature_filters import (
+    LowVarianceFilter,
+    HighCorrelationFilter,
+)
+from qsprpred.extra.data.descriptors.fingerprints import (
+    CDKFP,
+    CDKExtendedFP,
+    CDKGraphOnlyFP,
+    CDKMACCSFP,
+    CDKPubchemFP,
+    CDKEStateFP,
+    CDKSubstructureFP,
+    CDKKlekotaRothFP,
+    CDKAtomPairs2DFP,
+)
+from qsprpred.extra.data.descriptors.sets import (
+    Mold2,
+    PaDEL,
+    Mordred,
+    ExtendedValenceSignature,
+    ProDec,
+)
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from qsprpred.extra.data.utils.msa_calculator import MAFFT, ClustalMSA, BioPythonMSA
+from qsprpred.extra.data.utils.testing.path_mixins import DataSetsMixInExtras
+from qsprpred.utils.testing.base import QSPRTestCase
+from qsprpred.utils.testing.check_mixins import DescriptorInDataCheckMixIn
+
+
+class TestDescriptorSetsExtra(DataSetsMixInExtras, QSPRTestCase):
+    """Test descriptor sets with extra features.
+
+    Attributes:
+        dataset (QSPRDataset): dataset for testing, shuffled
+    """
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
+        self.dataset.shuffle()
+
+    @skipIf(platform.system() == "Darwin", "Mold2 not supported on Mac OS")
+    def testMold2(self):
+        """Test the Mold2 descriptor calculator."""
+        self.dataset.addDescriptors([Mold2()])
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 777))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+    def testPaDELDescriptors(self):
+        """Test the PaDEL descriptor calculator."""
+        self.dataset.addDescriptors([PaDEL()])
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1444))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+    @parameterized.expand(
+        [
+            (CDKFP, 1024),
+            (CDKExtendedFP, 1024),
+            (CDKGraphOnlyFP, 1024),
+            (CDKMACCSFP, 166),
+            (CDKPubchemFP, 881),
+            (CDKEStateFP, 79),
+            (CDKSubstructureFP, 307),
+            (CDKKlekotaRothFP, 4860),
+            (CDKAtomPairs2DFP, 780),
+        ]
+    )
+    def testPaDELFingerprints(self, fp_type, nbits):
+        dataset = self.createSmallTestDataSet(f"{self.__class__.__name__}_{fp_type}")
+        dataset.addDescriptors([fp_type()])
+        self.assertEqual(dataset.X.shape, (len(dataset), nbits))
+        self.assertTrue(dataset.X.any().any())
+        self.assertTrue(dataset.X.any().sum() > 1)
+
+    def testMordred(self):
+        """Test the Mordred descriptor calculator."""
+        import mordred
+        from mordred import descriptors
+
+        self.dataset.addDescriptors([Mordred()])
+        self.assertEqual(
+            self.dataset.X.shape,
+            (
+                len(self.dataset),
+                len(mordred.Calculator(descriptors).descriptors),
+            ),
+        )
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+    def testExtendedValenceSignature(self):
+        """Test the SMILES based signature descriptor calculator."""
+        desc_set = ExtendedValenceSignature(1)
+        self.dataset.addDescriptors([desc_set], recalculate=True)
+        self.dataset.featurize()
+        self.assertTrue(self.dataset.X.shape[1] == len(desc_set))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+
+class TestPCMDataSet(DataSetsMixInExtras, TestCase):
+    """Test the PCM data set features.
+
+    Attributes:
+        dataset (QSPRDataset): dataset for testing
+        sampleDescSet (DescriptorSet): descriptor set for testing
+        defaultMSA (BioPythonMSA): MSA provider for testing
+    """
+
+    def setUp(self):
+        """Set up the test Dataframe."""
+        super().setUp()
+        self.setUpPaths()
+        self.dataset = self.createPCMDataSet(self.__class__.__name__)
+        self.defaultMSA = self.getMSAProvider(self.generatedDataPath)
+        self.sampleDescSet = ProDec(
+            sets=["Zscale Hellberg"], msa_provider=self.defaultMSA
+        )
+
+    @parameterized.expand(
+        [
+            ("MAFFT", MAFFT),
+            ("ClustalMSA", ClustalMSA),
+        ]
+    )
+    def testSerialization(self, _, msa_provider_cls: Type[BioPythonMSA]):
+        """Test the serialization of dataset with data split.
+
+        Args:
+            msa_provider_cls (BioPythonMSA): MSA provider class
+        """
+        provider = msa_provider_cls(out_dir=self.generatedDataPath)
+        self.sampleDescSet.msaProvider = provider
+        dataset = self.createPCMDataSet(self.__class__.__name__)
+        split = RandomSplit(test_fraction=0.2)
+        dataset.prepareDataset(
+            split=split,
+            feature_calculators=[self.sampleDescSet],
+            feature_standardizer=StandardScaler(),
+            feature_filters=[LowVarianceFilter(0.05), HighCorrelationFilter(0.9)],
+        )
+        ndata = dataset.getDF().shape[0]
+        self.validate_split(dataset)
+        self.assertEqual(dataset.X_ind.shape[0], round(ndata * 0.2))
+        test_ids = dataset.X_ind.index.values
+        train_ids = dataset.y_ind.index.values
+        dataset.save()
+        # load dataset and test if all checks out after loading
+        dataset_new = PCMDataSet.fromFile(dataset.metaFile)
+        self.assertIsInstance(dataset_new, PCMDataSet)
+        self.validate_split(dataset_new)
+        self.assertEqual(dataset.X_ind.shape[0], round(ndata * 0.2))
+        self.assertEqual(len(dataset_new.descriptorSets), len(dataset_new.descriptors))
+        self.assertTrue(dataset_new.featureStandardizer)
+        self.assertTrue(len(dataset_new.featureNames) == len(self.sampleDescSet))
+        self.assertTrue(all(mol_id in dataset_new.X_ind.index for mol_id in test_ids))
+        self.assertTrue(all(mol_id in dataset_new.y_ind.index for mol_id in train_ids))
+        # clear files and try saving again
+        dataset_new.clearFiles()
+        dataset_new.save()
+
+    def testSwitching(self):
+        """Test if the feature calculator can be switched to a new dataset."""
+        dataset = self.createPCMDataSet(self.__class__.__name__)
+        split = RandomSplit(test_fraction=0.5)
+        lv = LowVarianceFilter(0.05)
+        hc = HighCorrelationFilter(0.9)
+        dataset.prepareDataset(
+            split=split,
+            feature_calculators=[self.sampleDescSet],
+            feature_filters=[lv, hc],
+            recalculate_features=True,
+            feature_fill_value=np.nan,
+        )
+        ndata = dataset.getDF().shape[0]
+        self.assertEqual(len(dataset.descriptorSets), len(dataset.descriptors))
+        self.assertEqual(
+            dataset.X_ind.shape, (round(ndata * 0.5), len(self.sampleDescSet))
+        )
+        # create new dataset with different feature calculator
+        dataset_next = self.createPCMDataSet(f"{self.__class__.__name__}_next")
+        dataset_next.prepareDataset(
+            split=split,
+            feature_calculators=[self.sampleDescSet],
+            feature_filters=[lv, hc],
+            recalculate_features=True,
+            feature_fill_value=np.nan,
+        )
+        self.assertEqual(
+            len(dataset_next.descriptorSets), len(dataset_next.descriptors)
+        )
+        self.assertEqual(
+            dataset_next.X_ind.shape, (round(ndata * 0.5), len(self.sampleDescSet))
+        )
+        self.assertEqual(
+            dataset_next.X.shape, (round(ndata * 0.5), len(self.sampleDescSet))
+        )
+
+    def testWithMolDescriptors(self):
+        """Test the calculation of protein and molecule descriptors."""
+        calcs = [
+            ProDec(sets=["Zscale Hellberg"], msa_provider=self.defaultMSA),
+            MorganFP(radius=2, nBits=128),
+            DrugExPhyschem(),
+        ]
+        self.dataset.prepareDataset(
+            feature_calculators=calcs,
+            feature_standardizer=StandardScaler(),
+            split=RandomSplit(test_fraction=0.2),
+        )
+        # test if all descriptors are there
+        expected_length = 0
+        for calc in calcs:
+            expected_length += len(calc)
+        self.assertEqual(self.dataset.X.shape[1], expected_length)
+        # filter features and test if they are there after saving and loading
+        self.dataset.filterFeatures(
+            [LowVarianceFilter(0.05), HighCorrelationFilter(0.9)]
+        )
+        feats_left = self.dataset.X.shape[1]
+        self.dataset.save()
+        dataset_new = PCMDataSet.fromFile(self.dataset.metaFile)
+        self.assertEqual(dataset_new.X.shape[1], feats_left)
+
+    @parameterized.expand(
+        [
+            ("MAFFT", MAFFT),
+            ("ClustalMSA", ClustalMSA),
+        ]
+    )
+    def testProDec(self, _, provider_class):
+        provider = provider_class(out_dir=self.generatedDataPath)
+        descset = ProDec(sets=["Zscale Hellberg"], msa_provider=provider)
+        self.dataset.addDescriptors([descset])
+        self.assertEqual(self.dataset.X.shape, (len(self.dataset), len(descset)))
+        self.assertTrue(self.dataset.X.any().any())
+        self.assertTrue(self.dataset.X.any().sum() > 1)
+
+
+class TestDescriptorsExtra(
+    DataSetsMixInExtras, DescriptorInDataCheckMixIn, QSPRTestCase
+):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand(
+        [
+            (
+                f"{desc_set}",
+                desc_set,
+                [{"name": "CL", "task": TargetTasks.REGRESSION}],
+            )
+            for desc_set in DataSetsMixInExtras.getAllDescriptors()
+        ]
+    )
+    def testDescriptorsExtraAll(
+        self,
+        _,
+        desc_set: DescriptorSet,
+        target_props: list[dict | TargetProperty],
+    ):
+        """Test the calculation of extra descriptors with data preparation."""
+        dataset = self.createLargeTestDataSet(
+            name=self.getDatSetName(desc_set, target_props),
+            target_props=target_props,
+            n_jobs=2,
+            chunk_size=self.chunkSize,
+        )
+        self.checkDataSetContainsDescriptorSet(
+            dataset, desc_set, self.getDefaultPrep(), target_props
+        )
+
+
+class TestDescriptorsPCM(DataSetsMixInExtras, DescriptorInDataCheckMixIn, TestCase):
+    """Test the calculation of PCM descriptors with data preparation.
+
+    Attributes:
+        defaultMSA (MSAProvider): Default MSA provider.
+    """
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+        self.defaultMSA = self.getMSAProvider(self.generatedDataPath)
+
+    @parameterized.expand(
+        [
+            (
+                f"{desc_set}_{TargetTasks.MULTICLASS}",
+                desc_set,
+                [
+                    {
+                        "name": "pchembl_value_Median",
+                        "task": TargetTasks.MULTICLASS,
+                        "th": [2.0, 5.5, 6.5, 12.0],
+                    }
+                ],
+            )
+            for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
+        ]
+        + [
+            (
+                f"{desc_set}_{TargetTasks.REGRESSION}",
+                desc_set,
+                [{"name": "pchembl_value_Median", "task": TargetTasks.REGRESSION}],
+            )
+            for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
+        ]
+        + [
+            (
+                f"{desc_set}_Multitask",
+                desc_set,
+                [
+                    {"name": "pchembl_value_Median", "task": TargetTasks.REGRESSION},
+                    {
+                        "name": "pchembl_value_Mean",
+                        "task": TargetTasks.SINGLECLASS,
+                        "th": [6.5],
+                    },
+                ],
+            )
+            for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
+        ]
+    )
+    def testDescriptorsPCMAll(self, _, desc_set, target_props):
+        """Tests all available descriptor sets with data set preparation.
+
+        Note that they are not checked with all possible settings
+        and all possible preparations,
+        but only with the default settings provided
+        by `DataSetsPathMixIn.getDefaultPrep()`.
+        The list itself is defined and configured
+        by `DataSetsPathMixIn.getAllDescriptors()`,
+        so if you need a specific descriptor tested, add it there.
+        """
+        dataset = self.createPCMDataSet(
+            name=f"{self.getDatSetName(desc_set, target_props)}_pcm",
+            target_props=target_props,
+        )
+        self.checkDataSetContainsDescriptorSet(
+            dataset, desc_set, self.getDefaultPrep(), target_props
+        )
+        self.checkDataSetContainsDescriptorSet(
+            dataset, desc_set, self.getDefaultPrep(), target_props
+        )
diff --git a/qsprpred/extra/data/sampling/__init__.py b/qsprpred/extra/data/sampling/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/extra/data/sampling/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/extra/data/utils/datasplitters.py b/qsprpred/extra/data/sampling/splits.py
similarity index 83%
rename from qsprpred/extra/data/utils/datasplitters.py
rename to qsprpred/extra/data/sampling/splits.py
index f3723002..09dc7b2e 100644
--- a/qsprpred/extra/data/utils/datasplitters.py
+++ b/qsprpred/extra/data/sampling/splits.py
@@ -6,16 +6,22 @@
 from typing import Iterable
 
 import numpy as np
+from sklearn.impute import SimpleImputer
 
-from ....data.data import QSPRDataset, TargetProperty
-from ....data.interfaces import DataSplit
-from ....data.utils.datasplitters import ClusterSplit, RandomSplit, ScaffoldSplit
-from ..data import PCMDataSet
+from qsprpred.data.sampling.splits import (
+    DataSplit,
+    ClusterSplit,
+    RandomSplit,
+    ScaffoldSplit,
+)
+from qsprpred.data.tables.qspr import QSPRDataset
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from qsprpred.tasks import TargetProperty
 
 
 class PCMSplit(DataSplit):
     """
-    Splits a dataset into train and test set such that the subset are balanced with
+    Splits a dataset into train and test set such that the subsets are balanced with
     respect to each of the protein targets.
 
     This is done with https://github.com/sohviluukkonen/gbmt-splits, linear programming
@@ -25,6 +31,7 @@ class PCMSplit(DataSplit):
         dataset (PCMDataSet): The dataset to split.
         splitter (DataSplit): The splitter to use on the initial clusters.
     """
+
     def __init__(self, splitter: DataSplit, dataset: PCMDataSet | None = None) -> None:
         super().__init__(dataset)
         self.splitter = splitter
@@ -34,6 +41,9 @@ def __init__(self, splitter: DataSplit, dataset: PCMDataSet | None = None) -> No
             self.splitter, (RandomSplit, ScaffoldSplit, ClusterSplit)
         ), "Splitter must be either RandomSplit, ScaffoldSplit or ClusterSplit!"
 
+        if isinstance(self.splitter, (RandomSplit, ClusterSplit)):
+            self.splitter.setSeed(dataset.randomState if dataset is not None else None)
+
     def split(self, X, y) -> Iterable[tuple[list[int], list[int]]]:
         """
         Split the PCM dataset into train and test set such that the subsets are balanced
@@ -48,47 +58,45 @@ def split(self, X, y) -> Iterable[tuple[list[int], list[int]]]:
             y (np.ndarray | pd.DataFrame | pd.Series): the target variable(s)
 
         Returns:
-            an iterator over the generated subsets represented as a tuple of
+            an generator over the generated subsets represented as a tuple of
             (train_indices, test_indices) where the indices are the row indices of the
             input data matrix X (note that these are integer indices, rather than a
             pandas index!)
         """
-
         ds = self.getDataSet()
         df = ds.getDF()
         indices = df.index.tolist()
         proteins = df[ds.proteinCol].unique()
         task = ds.targetProperties[0].task
         th = ds.targetProperties[0].th if task.isClassification() else None
-
         assert (
             len(ds.targetProperties) == 1
         ), "PCMSplit only works for single-task datasets!"
-        # TODO: Add support for multi-target PCM datasets: creta a multi-task dataset
+        # TODO: Add support for multi-target (create a multi-task PCM dataset)
         # with all target-task combinations as different columns and split that
         # dataset with the given splitter
-
         # Pivot dataframe to get a matrix with protein targets as columns
         df_mt = df.pivot(
             index=ds.smilesCol,
             columns=ds.proteinCol,
             values=ds.targetProperties[0].name,
         ).reset_index()
-
         # Create target properties for multi-task dataset
         mt_targetProperties = [
-            TargetProperty(name=target, task=task, th=th) for target in proteins
+            TargetProperty(
+                name=target, task=task, th=th, imputer=SimpleImputer(strategy="median")
+            )
+            for target in proteins
         ]
-
-        # Create multi-task dataset and split it with the given splitter
+        # temporarily create multi-task dataset and split it with the given splitter
         ds_mt = QSPRDataset(
             name=f"PCM_{self.splitter.__class__.__name__}_{hash(self)}",
             df=df_mt,
             smiles_col=ds.smilesCol,
             target_props=mt_targetProperties,
+            random_state=ds.randomState,
         )
         ds_mt.split(self.splitter)
-
         # Convert MT indices to indices of original PCM dataset
         test_indices = []
         for i in ds_mt.X_ind.index:
@@ -98,13 +106,13 @@ def split(self, X, y) -> Iterable[tuple[list[int], list[int]]]:
             targets = [col for col in cols if col in proteins]
             for target in targets:
                 # Get index in the original PCM dataset the SMILES-target pair
-                ds_idx = df[(df[ds.proteinCol] == target) &
-                            (df[ds.smilesCol] == smiles)].index.astype(str)[0]
-                # Convert to numeric index
-                test_indices.append(indices.index(ds_idx))
-
+                a = df[ds.smilesCol] == smiles
+                b = df[ds.proteinCol] == target
+                if any(a & b):
+                    ds_idx = df[a & b].index.astype(str)[0]
+                    # Convert to numeric index
+                    test_indices.append(indices.index(ds_idx))
         train_indices = [i for i in range(len(df)) if i not in test_indices]
-
         return iter([(train_indices, test_indices)])
 
 
@@ -194,8 +202,8 @@ def split(self, X, y) -> Iterable[tuple[list[int], list[int]]]:
             train_indices.extend([indices.index(i) for i in train])
             test_indices.extend([indices.index(i) for i in test])
 
-        assert len(set(train_indices)) + len(
-            set(test_indices)
-        ) == len(ds), "Train and test set do not cover the whole dataset!"
+        assert len(set(train_indices)) + len(set(test_indices)) == len(
+            ds
+        ), "Train and test set do not cover the whole dataset!"
 
         return iter([(train_indices, test_indices)])
diff --git a/qsprpred/extra/data/sampling/tests.py b/qsprpred/extra/data/sampling/tests.py
new file mode 100644
index 00000000..0172f855
--- /dev/null
+++ b/qsprpred/extra/data/sampling/tests.py
@@ -0,0 +1,83 @@
+from unittest import TestCase
+
+from parameterized import parameterized
+
+from qsprpred.data import RandomSplit, ScaffoldSplit, ClusterSplit
+from qsprpred.data.descriptors.sets import RDKitDescs
+from qsprpred.extra.data.descriptors.sets import ProDec
+from qsprpred.extra.data.sampling.splits import (
+    PCMSplit,
+    LeaveTargetsOut,
+    TemporalPerTarget,
+)
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from qsprpred.extra.data.utils.testing.path_mixins import DataSetsMixInExtras
+
+
+class TestPCMSplitters(DataSetsMixInExtras, TestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+        self.msaProvider = self.getMSAProvider(self.generatedDataPath)
+        self.dataset = self.createPCMDataSet(f"{self.__class__.__name__}_test")
+        self.dataset.addDescriptors([ProDec(["Zscale Hellberg"], self.msaProvider)])
+        self.dataset.addDescriptors([RDKitDescs()])
+
+    @parameterized.expand([(RandomSplit(),), (ScaffoldSplit(),), (ClusterSplit(),)])
+    def testPCMSplit(self, splitter):
+        splitter = PCMSplit(splitter)
+        self.dataset.split(splitter, featurize=True)
+        train, test = self.dataset.getFeatures()
+        train, test = train.index, test.index
+        test_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[test]
+        train_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[train]
+        test_smiles = self.dataset.getProperty(self.dataset.smilesCol).loc[test]
+        train_smiles = self.dataset.getProperty(self.dataset.smilesCol).loc[train]
+        self.assertEqual(len(test_targets), len(test))
+        self.assertEqual(len(train_targets), len(train))
+        self.assertTrue(
+            set(test_smiles.unique()).isdisjoint(set(train_smiles.unique()))
+        )
+
+    def testPCMSplitRandomShuffle(self):
+        seed = self.dataset.randomState
+        self.dataset.save()
+        splitter = PCMSplit(RandomSplit(), dataset=self.dataset)
+        self.dataset.split(splitter, featurize=True)
+        train, test = self.dataset.getFeatures()
+        train_order = train.index.tolist()
+        test_order = test.index.tolist()
+        # reload and check if orders are the same if we redo the split
+        dataset = PCMDataSet.fromFile(self.dataset.metaFile)
+        splitter = PCMSplit(RandomSplit(), dataset=dataset)
+        dataset.split(splitter, featurize=True)
+        train, test = dataset.getFeatures()
+        self.assertEqual(dataset.randomState, seed)
+        self.assertListEqual(train.index.tolist(), train_order)
+        self.assertListEqual(test.index.tolist(), test_order)
+
+    def testLeaveTargetOut(self):
+        target = self.dataset.getProteinKeys()[0:2]
+        splitter = LeaveTargetsOut(targets=target)
+        self.dataset.split(splitter, featurize=True)
+        train, test = self.dataset.getFeatures()
+        train, test = train.index, test.index
+        test_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[test]
+        train_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[train]
+        self.assertEqual(len(test_targets), len(test))
+        self.assertEqual(len(train_targets), len(train))
+        self.assertTrue(
+            set(test_targets.unique()).isdisjoint(set(train_targets.unique()))
+        )
+
+    def testPerTargetTemporal(self):
+        year_col = "Year"
+        year = 2015
+        splitter = TemporalPerTarget(
+            year_col=year_col,
+            split_years={key: year for key in self.dataset.getProteinKeys()},
+        )
+        self.dataset.split(splitter, featurize=True)
+        train, test = self.dataset.getFeatures()
+        self.assertTrue(self.dataset.getDF()[year_col].loc[train.index].max() <= year)
+        self.assertTrue(self.dataset.getDF()[year_col].loc[test.index].min() > year)
diff --git a/qsprpred/extra/data/tables/__init__.py b/qsprpred/extra/data/tables/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/extra/data/tables/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/extra/data/data.py b/qsprpred/extra/data/tables/pcm.py
similarity index 55%
rename from qsprpred/extra/data/data.py
rename to qsprpred/extra/data/tables/pcm.py
index aa4749a3..a1113c9f 100644
--- a/qsprpred/extra/data/data.py
+++ b/qsprpred/extra/data/tables/pcm.py
@@ -1,18 +1,14 @@
-import base64
-import marshal
-import os
-import types
 from typing import Callable
 
 import pandas as pd
 
-from ...data.data import MoleculeTable, QSPRDataset, TargetProperty
-from ...data.utils.descriptorcalculator import (
-    DescriptorsCalculator,
-    MoleculeDescriptorsCalculator,
-)
-from ...logs import logger
-from .utils.descriptorcalculator import ProteinDescriptorCalculator
+from qsprpred.data.descriptors.sets import DescriptorSet
+from qsprpred.data.tables.mol import MoleculeTable
+from qsprpred.data.tables.qspr import QSPRDataset
+from qsprpred.extra.data.descriptors.sets import ProteinDescriptorSet
+from qsprpred.logs import logger
+from qsprpred.tasks import TargetProperty
+from qsprpred.utils.serialization import function_as_string, function_from_string
 
 
 class PCMDataSet(QSPRDataset):
@@ -30,23 +26,26 @@ class PCMDataSet(QSPRDataset):
             function that takes a list of protein identifiers and returns a `dict`
             mapping those identifiers to their sequences. Defaults to `None`.
     """
+
     def __init__(
         self,
         name: str,
         protein_col: str,
         target_props: list[TargetProperty | dict],
-        df: pd.DataFrame = None,
+        df: pd.DataFrame | None = None,
         smiles_col: str = "SMILES",
-        protein_seq_provider: Callable = None,
+        protein_seq_provider: Callable | None = None,
         add_rdkit: bool = False,
         store_dir: str = ".",
         overwrite: bool = False,
-        n_jobs: int = 1,
-        chunk_size: int = 50,
+        n_jobs: int | None = 1,
+        chunk_size: int | None = None,
         drop_invalids: bool = True,
         drop_empty: bool = True,
-        target_imputer: Callable = None,
-        index_cols: list[str] = None,
+        index_cols: list[str] | None = None,
+        autoindex_name: str = "QSPRID",
+        random_state: int | None = None,
+        store_format: str = "pkl",
     ):
         """Construct a data set to handle PCM data.
 
@@ -82,11 +81,15 @@ def __init__(
                 If `True`, invalid SMILES will be dropped. Defaults to `True`.
             drop_empty (bool, optional):
                 If `True`, rows with empty SMILES will be dropped. Defaults to `True`.
-            target_imputer (Callable, optional):
-                imputer for missing target property values. Defaults to `None`.
             index_cols (List[str], optional):
                 columns to be used as index in the dataframe.
                 Defaults to `None` in which case a custom ID will be generated.
+            autoindex_name (str, optional):
+                Column name to use for automatically generated IDs.
+            random_state (int, optional):
+                random state for reproducibility. Defaults to `None`.
+            store_format
+                format to use for storing the data ('pkl' or 'csv').
 
         Raises:
             `ValueError`:
@@ -104,8 +107,10 @@ def __init__(
             drop_invalids=drop_invalids,
             index_cols=index_cols,
             target_props=target_props,
-            target_imputer=target_imputer,
             drop_empty=drop_empty,
+            autoindex_name=autoindex_name,
+            random_state=random_state,
+            store_format=store_format,
         )
         self.proteinCol = protein_col
         self.proteinSeqProvider = protein_seq_provider
@@ -130,104 +135,64 @@ def getProteinSequences(self) -> dict[str, str]:
             )
         return self.proteinSeqProvider(self.getProteinKeys())
 
-    def addProteinDescriptors(
+    def addDescriptors(
         self,
-        calculator: ProteinDescriptorCalculator,
-        recalculate=False,
-        featurize=True
+        descriptors: list[DescriptorSet | ProteinDescriptorSet],
+        recalculate: bool = False,
+        featurize: bool = True,
+        *args,
+        **kwargs,
     ):
-        """
-        Add protein descriptors to the data frame.
-
-        Args:
-            calculator (ProteinDescriptorCalculator):
-                `ProteinDescriptorCalculator` instance to use.
-            recalculate (bool):
-                Whether to recalculate descriptors even if they are already present
-                in the data frame.
-            featurize (bool):
-                Whether to featurize the descriptors after adding them
-                to the data frame.
-        """
-        if recalculate:
-            self.dropDescriptors(calculator)
-        elif self.getDescriptorNames(prefix=calculator.getPrefix()):
-            logger.warning(
-                f"Protein descriptors already exist in {self.name}. "
-                f"Use `recalculate=True` to overwrite them."
-            )
-            return
-
-        if not self.proteinCol:
-            raise ValueError(
-                "Protein column not set. Cannot calculate protein descriptors."
-            )
-        # calculate the descriptors
+        # make sure the acc_keys property is set for ProteinDescriptorSets
+        self.df["acc_keys"] = self.df[self.proteinCol]
+        # get protein sequences and metadata
         sequences, info = (
-            self.proteinSeqProvider(self.df[self.proteinCol].unique().tolist())
-            if self.proteinSeqProvider else (None, {})
+            self.getProteinSequences() if self.proteinSeqProvider else (None, {})
         )
-        descriptors = calculator(self.df[self.proteinCol].unique(), sequences, **info)
-        descriptors[self.proteinCol] = descriptors.index.values
-        # add the descriptors to the descriptor list
-        self.attachDescriptors(calculator, descriptors, [self.proteinCol])
-        self.featurize(update_splits=featurize)
-
-    @staticmethod
-    def fromSDF(name, filename, smiles_prop, *args, **kwargs):
-        raise NotImplementedError(
-            f"SDF loading not implemented for {PCMDataSet.__name__}, yet. "
-            f"Use `PCMDataSet.fromMolTable` to convert a `MoleculeTable`"
-            f"read from an SDF instead."
+        # append sequences and metadata to kwargs
+        kwargs["sequences"] = sequences
+        for key in info:
+            kwargs[key] = info[key]
+        # pass everything to the descriptor calculation
+        return super().addDescriptors(
+            descriptors, recalculate, featurize, *args, **kwargs
         )
 
-    def generateMetadata(self):
-        meta = super().generateMetadata()
-        meta["init"]["protein_col"] = self.proteinCol
-        meta["init"]["protein_seq_provider"] = base64.b64encode(
-            marshal.dumps(
-                self.proteinSeqProvider.__code__ if self.proteinSeqProvider else None
-            )
-        ).decode("ascii")
-        return meta
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        if self.proteinSeqProvider:
+            o_dict["proteinSeqProvider"] = function_as_string(self.proteinSeqProvider)
+        return o_dict
 
-    @staticmethod
-    def loadMetadata(name: str, store_dir: str):
-        meta = QSPRDataset.loadMetadata(name, store_dir)
-        if meta["init"]["protein_seq_provider"] is not None:
-            seq_provider = marshal.loads(
-                base64.b64decode(meta["init"]["protein_seq_provider"])
-            )
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        if self.proteinSeqProvider:
             try:
-                seq_provider = types.FunctionType(seq_provider, globals())
-                meta["init"]["protein_seq_provider"] = seq_provider
+                self.proteinSeqProvider = function_from_string(self.proteinSeqProvider)
             except Exception as e:
                 logger.warning(
                     "Failed to load protein sequence provider from metadata. "
                     f"The function object could not be recreated from the code. "
                     f"\nError: {e}"
-                    f"\nDeserialized Code: {seq_provider}"
+                    f"\nDeserialized Code: {self.proteinSeqProvider}"
                     f"\nSetting protein sequence provider to `None` for now."
                 )
-                meta["init"]["protein_seq_provider"] = None
-
-        return meta
+                self.proteinSeqProvider = None
 
     @staticmethod
-    def fromFile(filename: str, *args, **kwargs) -> "QSPRDataset":
-        store_dir = os.path.dirname(filename)
-        name = os.path.basename(filename).rsplit("_", 1)[0]
-        meta = PCMDataSet.loadMetadata(name, store_dir)
-        return PCMDataSet(
-            *args, name=name, store_dir=store_dir, **meta["init"], **kwargs
+    def fromSDF(name, filename, smiles_prop, *args, **kwargs):
+        raise NotImplementedError(
+            f"SDF loading not implemented for {PCMDataSet.__name__}, yet. "
+            f"Use `PCMDataSet.fromMolTable` to convert a `MoleculeTable`"
+            f"read from an SDF instead."
         )
 
     @staticmethod
     def fromMolTable(
         mol_table: MoleculeTable,
         protein_col: str,
-        target_props: list[TargetProperty | dict] = None,
-        name: str = None,
+        target_props: list[TargetProperty | dict] | None = None,
+        name: str | None = None,
         **kwargs,
     ) -> "PCMDataSet":
         """Construct a data set to handle PCM data from a `MoleculeTable`.
@@ -251,41 +216,25 @@ def fromMolTable(
             PCMDataSet:
                 `PCMDataset` instance containing the PCM data.
         """
-        kwargs["store_dir"] = (
-            mol_table.storeDir if "store_dir" not in kwargs else kwargs["store_dir"]
+        protein_seq_provider = None
+        if "protein_seq_provider" in kwargs:
+            protein_seq_provider = kwargs.pop("protein_seq_provider")
+        ret = QSPRDataset.fromMolTable(mol_table, target_props, name, **kwargs)
+        ret.proteinCol = protein_col
+        ret.proteinSeqProvider = protein_seq_provider
+        ret.__class__ = PCMDataSet
+        return ret
+
+    def searchWithIndex(
+        self, index: pd.Index, name: str | None = None
+    ) -> "MoleculeTable":
+        ret = super().searchWithIndex(index, name)
+        ret = PCMDataSet.fromMolTable(
+            ret,
+            self.proteinCol,
+            self.targetProperties,
+            name=ret.name,
         )
-        name = mol_table.name if name is None else name
-        ds = PCMDataSet(
-            name,
-            protein_col,
-            target_props=target_props,
-            df=mol_table.getDF(),
-            **kwargs
-        )
-        if not ds.descriptors and mol_table.descriptors:
-            ds.descriptors = mol_table.descriptors
-            ds.descriptorCalculators = mol_table.descriptorCalculators
-        return ds
-
-    def addFeatures(
-        self,
-        feature_calculators: list[DescriptorsCalculator] | None = None,
-        recalculate: bool = False,
-    ):
-        """Add features to the feature matrix.
-
-        Args:
-            feature_calculators (list[DescriptorsCalculator], optional):
-                list of feature calculators to use. Defaults to `None` in which case
-            recalculate:
-                whether to recalculate features even if they are already present
-        """
-        for calc in feature_calculators:
-            if isinstance(calc, MoleculeDescriptorsCalculator):
-                self.addDescriptors(calc, recalculate=recalculate, featurize=False)
-            elif isinstance(calc, ProteinDescriptorCalculator):
-                self.addProteinDescriptors(
-                    calc, recalculate=recalculate, featurize=False
-                )
-            else:
-                raise ValueError("Unknown feature calculator type: %s" % type(calc))
+        ret.featureStandardizer = self.featureStandardizer
+        ret.featurize()
+        return ret
diff --git a/qsprpred/extra/data/tables/tests.py b/qsprpred/extra/data/tables/tests.py
new file mode 100644
index 00000000..96dec1b8
--- /dev/null
+++ b/qsprpred/extra/data/tables/tests.py
@@ -0,0 +1,70 @@
+from typing import Callable
+from unittest import TestCase
+
+from parameterized import parameterized
+
+from qsprpred.data.descriptors.sets import DescriptorSet
+from qsprpred.data.processing.feature_standardizers import SKLearnStandardizer
+from qsprpred.data.processing.applicability_domain import ApplicabilityDomain
+from qsprpred.data.sampling.splits import DataSplit
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from qsprpred.extra.data.utils.testing.path_mixins import DataSetsMixInExtras
+from qsprpred.utils.testing.check_mixins import DataPrepCheckMixIn
+
+
+class TestPCMDataSetPreparation(DataSetsMixInExtras, DataPrepCheckMixIn, TestCase):
+    """Test the preparation of the PCMDataSet."""
+
+    def setUp(self):
+        super().setUp()
+        super().setUpPaths()
+
+    def fetchDataset(self, name: str) -> PCMDataSet:
+        """Create a quick dataset with the given name.
+
+        Args:
+            name (str): Name of the dataset.
+
+        Returns:
+            PCMDataSet: The dataset.
+        """
+        return self.createPCMDataSet(name)
+
+    @parameterized.expand(DataSetsMixInExtras.getPrepCombos())
+    def testPrepCombinations(
+        self,
+        _,
+        name: str,
+        feature_calculators: list[DescriptorSet],
+        split: DataSplit,
+        feature_standardizer: SKLearnStandardizer,
+        feature_filter: Callable,
+        data_filter: Callable,
+        applicability_domain: ApplicabilityDomain,
+    ):
+        """Test the preparation of the dataset.
+
+        Use different combinations of
+        feature calculators, feature standardizers, feature filters and data filters.
+
+        Args:
+            name (str): Name of the dataset.
+            feature_calculators (list[DescriptorsCalculator]):
+                List of feature calculators.
+            split (DataSplit): Splitting strategy.
+            feature_standardizer (SKLearnStandardizer): Feature standardizer.
+            feature_filter (Callable): Feature filter.
+            data_filter (Callable): Data filter.
+            applicability_domain (Callable): Applicability domain.
+        """
+        dataset = self.createPCMDataSet(name=name)
+        self.checkPrep(
+            dataset,
+            feature_calculators,
+            split,
+            feature_standardizer,
+            feature_filter,
+            data_filter,
+            applicability_domain,
+            ["pchembl_value_Median"],
+        )
diff --git a/qsprpred/extra/data/tests.py b/qsprpred/extra/data/tests.py
deleted file mode 100644
index 2666ea95..00000000
--- a/qsprpred/extra/data/tests.py
+++ /dev/null
@@ -1,674 +0,0 @@
-import itertools
-import os
-from typing import Callable, Type
-from unittest import TestCase
-
-import numpy as np
-import pandas as pd
-from parameterized import parameterized
-from sklearn.preprocessing import StandardScaler
-
-from ...data.data import TargetProperty
-from ...data.interfaces import DataSplit
-from ...data.tests import (
-    CHUNK_SIZE,
-    N_CPU,
-    DataPrepTestMixIn,
-    DataSetsMixIn,
-    TestDescriptorInDataMixIn,
-)
-from ...data.utils.datasplitters import ClusterSplit, RandomSplit, ScaffoldSplit
-from ...data.utils.descriptorcalculator import (
-    DescriptorsCalculator,
-    MoleculeDescriptorsCalculator,
-)
-from ...data.utils.descriptorsets import (
-    DrugExPhyschem,
-    FingerprintSet,
-    MoleculeDescriptorSet,
-    RDKitDescs,
-)
-from ...data.utils.feature_standardization import SKLearnStandardizer
-from ...data.utils.featurefilters import HighCorrelationFilter, LowVarianceFilter
-from ...extra.data.data import PCMDataSet
-from ...extra.data.utils.descriptor_utils.msa_calculator import (
-    MAFFT,
-    BioPythonMSA,
-    ClustalMSA,
-)
-from ...extra.data.utils.descriptorcalculator import ProteinDescriptorCalculator
-from ...extra.data.utils.descriptorsets import (
-    ExtendedValenceSignature,
-    Mold2,
-    Mordred,
-    PaDEL,
-    ProDec,
-    ProteinDescriptorSet,
-)
-from ...models.tasks import TargetTasks
-from .utils.datasplitters import LeaveTargetsOut, PCMSplit, TemporalPerTarget
-
-
-class DataSetsMixInExtras(DataSetsMixIn):
-    """MixIn class for testing data sets in extras."""
-    def setUp(self):
-        super().setUp()
-        self.dataPathPCM = f"{os.path.dirname(__file__)}/test_files/data"
-
-    @classmethod
-    def getAllDescriptors(cls) -> list[MoleculeDescriptorSet]:
-        """Return a list of all available molecule descriptor sets.
-
-        Returns:
-            list: list of `MoleculeDescriptorSet` objects
-        """
-        return [
-            Mordred(),
-            Mold2(),
-            FingerprintSet(fingerprint_type="CDKFP", size=2048, search_depth=7),
-            FingerprintSet(fingerprint_type="CDKExtendedFP"),
-            FingerprintSet(fingerprint_type="CDKEStateFP"),
-            FingerprintSet(
-                fingerprint_type="CDKGraphOnlyFP", size=2048, search_depth=7
-            ),
-            FingerprintSet(fingerprint_type="CDKMACCSFP"),
-            FingerprintSet(fingerprint_type="CDKPubchemFP"),
-            FingerprintSet(fingerprint_type="CDKSubstructureFP", use_counts=False),
-            FingerprintSet(fingerprint_type="CDKKlekotaRothFP", use_counts=True),
-            FingerprintSet(fingerprint_type="CDKAtomPairs2DFP", use_counts=False),
-            FingerprintSet(fingerprint_type="CDKSubstructureFP", use_counts=True),
-            FingerprintSet(fingerprint_type="CDKKlekotaRothFP", use_counts=False),
-            FingerprintSet(fingerprint_type="CDKAtomPairs2DFP", use_counts=True),
-            PaDEL(),
-            ExtendedValenceSignature(1),
-        ]
-
-    @staticmethod
-    def getAllProteinDescriptors() -> list[ProteinDescriptorSet]:
-        """Return a list of all available protein descriptor sets.
-
-        Returns:
-            list: list of `ProteinDescriptorSet` objects
-        """
-
-        return [
-            ProDec(sets=["Zscale Hellberg"]),
-            ProDec(sets=["Sneath"]),
-        ]
-
-    @classmethod
-    def getDefaultCalculatorCombo(cls):
-        mol_descriptor_calculators = super().getDefaultCalculatorCombo()
-        feature_sets_pcm = [
-            ProDec(sets=["Zscale Hellberg"]),
-            ProDec(sets=["Sneath"]),
-        ]
-        protein_descriptor_calculators = [
-            [ProteinDescriptorCalculator(combo, msa_provider=cls.getMSAProvider())]
-            for combo in itertools.combinations(feature_sets_pcm, 1)
-        ] + [
-            [ProteinDescriptorCalculator(combo, msa_provider=cls.getMSAProvider())]
-            for combo in itertools.combinations(feature_sets_pcm, 2)
-        ]
-        descriptor_calculators = (
-            mol_descriptor_calculators + protein_descriptor_calculators
-        )
-        # make combinations of molecular and PCM descriptor calculators
-        descriptor_calculators += [
-            mol + prot for mol, prot in
-            zip(mol_descriptor_calculators, protein_descriptor_calculators)
-        ]
-
-        return descriptor_calculators
-
-    def getPCMDF(self) -> pd.DataFrame:
-        """Return a test dataframe with PCM data.
-
-        Returns:
-            pd.DataFrame: dataframe with PCM data
-        """
-        return pd.read_csv(f"{self.dataPathPCM}/pcm_sample.csv")
-
-    def getPCMTargetsDF(self) -> pd.DataFrame:
-        """Return a test dataframe with PCM targets and their sequences.
-
-        Returns:
-            pd.DataFrame: dataframe with PCM targets and their sequences
-        """
-        return pd.read_csv(f"{self.dataPathPCM}/pcm_sample_targets.csv")
-
-    def getPCMSeqProvider(
-        self,
-    ) -> Callable[[list[str]], tuple[dict[str, str], dict[str, dict]]]:
-        """Return a function that provides sequences for given accessions.
-
-        Returns:
-            Callable[[list[str]], tuple[dict[str, str], dict[str, dict]]]:
-                function that provides sequences for given accessions
-        """
-        df_seq = self.getPCMTargetsDF()
-        mapper = {}
-        kwargs_map = {}
-        for i, row in df_seq.iterrows():
-            mapper[row["accession"]] = row["Sequence"]
-            kwargs_map[row["accession"]] = {
-                "Classification": row["Classification"],
-                "Organism": row["Organism"],
-                "UniProtID": row["UniProtID"],
-            }
-
-        return lambda acc_keys: (
-            {
-                acc: mapper[acc]
-                for acc in acc_keys
-            },
-            {
-                acc: kwargs_map[acc]
-                for acc in acc_keys
-            },
-        )
-
-    def getMSAProvider(self):
-        return ClustalMSA(out_dir=self.generatedDataPath)
-
-    def createPCMDataSet(
-        self,
-        name: str = "QSPRDataset_test_pcm",
-        target_props: TargetProperty | list[dict] = [
-            {
-                "name": "pchembl_value_Median",
-                "task": TargetTasks.REGRESSION
-            }
-        ],
-        target_imputer: Callable[[pd.Series], pd.Series] | None = None,
-        preparation_settings: dict | None = None,
-        protein_col: str = "accession",
-    ):
-        """Create a small dataset for testing purposes.
-
-        Args:
-            name (str, optional):
-                name of the dataset. Defaults to "QSPRDataset_test".
-            target_props (list[TargetProperty] | list[dict], optional):
-                target properties.
-            target_imputer (Callable[pd.Series, pd.Series] | None, optional):
-                target imputer. Defaults to `None`.
-            preparation_settings (dict | None, optional):
-                preparation settings. Defaults to None.
-            protein_col (str, optional):
-                name of the column with protein accessions. Defaults to "accession".
-        Returns:
-            QSPRDataset: a `QSPRDataset` object
-        """
-        df = self.getPCMDF()
-        ret = PCMDataSet(
-            name,
-            protein_col=protein_col,
-            protein_seq_provider=self.getPCMSeqProvider(),
-            target_props=target_props,
-            df=df,
-            store_dir=self.generatedDataPath,
-            target_imputer=target_imputer,
-            n_jobs=N_CPU,
-            chunk_size=CHUNK_SIZE,
-        )
-        if preparation_settings:
-            ret.prepareDataset(**preparation_settings)
-        return ret
-
-
-class TestDescriptorSetsExtra(DataSetsMixInExtras, TestCase):
-    """Test descriptor sets with extra features.
-
-    Attributes:
-        dataset (QSPRDataset): dataset for testing, shuffled
-    """
-    def setUp(self):
-        super().setUp()
-        self.dataset = self.createSmallTestDataSet(self.__class__.__name__)
-        self.dataset.shuffle()
-
-    def testMold2(self):
-        """Test the Mold2 descriptor calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([Mold2()])
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 777))
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-    def testPaDELDescriptors(self):
-        """Test the PaDEL descriptor calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([PaDEL()])
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), 1444))
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-    @parameterized.expand(
-        [
-            ("CDKFP", 1024),
-            ("CDKExtendedFP", 1024),
-            ("CDKGraphOnlyFP", 1024),
-            ("CDKMACCSFP", 166),
-            ("CDKPubchemFP", 881),
-            ("CDKEStateFP", 79),
-            ("CDKSubstructureFP", 307),
-            ("CDKKlekotaRothFP", 4860),
-            ("CDKAtomPairs2DFP", 780),
-        ]
-    )
-    def testPaDELFingerprints(self, fp_type, nbits):
-        desc_calc = MoleculeDescriptorsCalculator(
-            [FingerprintSet(fingerprint_type=fp_type)]
-        )
-        dataset = self.createSmallTestDataSet(f"{self.__class__.__name__}_{fp_type}")
-        dataset.addDescriptors(desc_calc)
-        self.assertEqual(dataset.X.shape, (len(dataset), nbits))
-        self.assertTrue(dataset.X.any().any())
-        self.assertTrue(dataset.X.any().sum() > 1)
-
-    def testMordred(self):
-        """Test the Mordred descriptor calculator."""
-        import mordred
-        from mordred import descriptors
-
-        desc_calc = MoleculeDescriptorsCalculator([Mordred()])
-        self.dataset.addDescriptors(desc_calc)
-        self.assertEqual(
-            self.dataset.X.shape,
-            (
-                len(self.dataset),
-                len(mordred.Calculator(descriptors).descriptors),
-            ),
-        )
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-    def testExtendedValenceSignature(self):
-        """Test the SMILES based signature descriptor calculator."""
-        desc_calc = MoleculeDescriptorsCalculator([ExtendedValenceSignature(1)])
-        self.dataset.addDescriptors(desc_calc, recalculate=True)
-        self.dataset.featurize()
-        self.assertTrue(self.dataset.X.shape[1] > 0)
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-
-class TestPCMDescriptorCalculation(DataSetsMixInExtras, TestCase):
-    """Test the calculation of protein descriptors.
-
-    Attributes:
-        dataset (QSPRDataset): dataset for testing
-        sampleDescSet (DescriptorSet): descriptor set for testing
-        defaultMSA (BioPythonMSA): MSA provider for testing
-    """
-    def setUp(self):
-        """Set up the test Dataframe."""
-        super().setUp()
-        self.dataset = self.createPCMDataSet(self.__class__.__name__)
-        self.sampleDescSet = ProDec(sets=["Zscale Hellberg"])
-        self.defaultMSA = self.getMSAProvider()
-
-    @parameterized.expand([
-        ("MAFFT", MAFFT),
-        ("ClustalMSA", ClustalMSA),
-    ])
-    def testSerialization(self, _, msa_provider_cls: Type[BioPythonMSA]):
-        """Test the serialization of dataset with data split.
-
-        Args:
-            msa_provider_cls (BioPythonMSA): MSA provider class
-        """
-        provider = msa_provider_cls(out_dir=self.generatedDataPath)
-        dataset = self.createPCMDataSet(self.__class__.__name__)
-        split = RandomSplit(test_fraction=0.2)
-        calculator = ProteinDescriptorCalculator([self.sampleDescSet], provider)
-        dataset.prepareDataset(
-            split=split,
-            feature_calculators=[calculator],
-            feature_standardizer=StandardScaler(),
-            feature_filters=[LowVarianceFilter(0.05),
-                             HighCorrelationFilter(0.9)],
-        )
-        ndata = dataset.getDF().shape[0]
-        self.validate_split(dataset)
-        self.assertEqual(dataset.X_ind.shape[0], round(ndata * 0.2))
-        test_ids = dataset.X_ind.index.values
-        train_ids = dataset.y_ind.index.values
-        dataset.save()
-        # load dataset and test if all checks out after loading
-        dataset_new = PCMDataSet.fromFile(dataset.storePath)
-        self.assertIsInstance(dataset_new, PCMDataSet)
-        self.validate_split(dataset_new)
-        self.assertEqual(dataset.X_ind.shape[0], round(ndata * 0.2))
-        self.assertEqual(
-            len(dataset_new.descriptorCalculators), len(dataset_new.descriptors)
-        )
-        self.assertTrue(dataset_new.feature_standardizer)
-        self.assertTrue(dataset_new.fold_generator.featureStandardizer)
-        self.assertTrue(
-            isinstance(
-                dataset_new.fold_generator.featureStandardizer, SKLearnStandardizer
-            ) and isinstance(dataset_new.feature_standardizer, SKLearnStandardizer)
-        )
-        self.assertTrue(len(dataset_new.featureNames) == len(self.sampleDescSet))
-        self.assertTrue(all(mol_id in dataset_new.X_ind.index for mol_id in test_ids))
-        self.assertTrue(all(mol_id in dataset_new.y_ind.index for mol_id in train_ids))
-        # clear files and try saving again
-        dataset_new.clearFiles()
-        dataset_new.save()
-
-    def testSwitching(self):
-        """Test if the feature calculator can be switched to a new dataset."""
-        dataset = self.createPCMDataSet(self.__class__.__name__)
-        split = RandomSplit(test_fraction=0.5)
-        calculator = ProteinDescriptorCalculator([self.sampleDescSet], self.defaultMSA)
-        lv = LowVarianceFilter(0.05)
-        hc = HighCorrelationFilter(0.9)
-        dataset.prepareDataset(
-            split=split,
-            feature_calculators=[calculator],
-            feature_filters=[lv, hc],
-            recalculate_features=True,
-            feature_fill_value=np.nan,
-        )
-        ndata = dataset.getDF().shape[0]
-        self.assertEqual(len(dataset.descriptorCalculators), len(dataset.descriptors))
-        self.assertEqual(
-            dataset.X_ind.shape, (round(ndata * 0.5), len(self.sampleDescSet))
-        )
-        # create new dataset with different feature calculator
-        dataset_next = self.createPCMDataSet(f"{self.__class__.__name__}_next")
-        dataset_next.prepareDataset(
-            split=split,
-            feature_calculators=[calculator],
-            feature_filters=[lv, hc],
-            recalculate_features=True,
-            feature_fill_value=np.nan,
-        )
-        self.assertEqual(
-            len(dataset_next.descriptorCalculators), len(dataset_next.descriptors)
-        )
-        self.assertEqual(
-            dataset_next.X_ind.shape, (round(ndata * 0.5), len(self.sampleDescSet))
-        )
-        self.assertEqual(
-            dataset_next.X.shape, (round(ndata * 0.5), len(self.sampleDescSet))
-        )
-
-    def testWithMolDescriptors(self):
-        """Test the calculation of protein and molecule descriptors."""
-        protein_feature_calculator = ProteinDescriptorCalculator(
-            desc_sets=[ProDec(sets=["Zscale Hellberg"])],
-            msa_provider=self.defaultMSA,
-        )
-        mol_feature_calculator = MoleculeDescriptorsCalculator(
-            desc_sets=[
-                FingerprintSet(fingerprint_type="MorganFP", radius=3, nBits=2048),
-                DrugExPhyschem(),
-            ]
-        )
-        calcs = [protein_feature_calculator, mol_feature_calculator]
-        self.dataset.prepareDataset(
-            feature_calculators=calcs,
-            feature_standardizer=StandardScaler(),
-            split=RandomSplit(test_fraction=0.2),
-        )
-        # test if all descriptors are there
-        expected_length = 0
-        for calc in calcs:
-            for descset in calc.descSets:
-                expected_length += len(descset)
-        self.assertEqual(self.dataset.X.shape[1], expected_length)
-        # filter features and test if they are there after saving and loading
-        self.dataset.filterFeatures(
-            [LowVarianceFilter(0.05),
-             HighCorrelationFilter(0.9)]
-        )
-        feats_left = self.dataset.X.shape[1]
-        self.dataset.save()
-        dataset_new = PCMDataSet.fromFile(self.dataset.storePath)
-        self.assertEqual(dataset_new.X.shape[1], feats_left)
-
-    @parameterized.expand([
-        ("MAFFT", MAFFT),
-        ("ClustalMSA", ClustalMSA),
-    ])
-    def testProDec(self, _, provider_class):
-        provider = provider_class(out_dir=self.generatedDataPath)
-        descset = ProDec(sets=["Zscale Hellberg"])
-        protein_feature_calculator = ProteinDescriptorCalculator(
-            desc_sets=[descset],
-            msa_provider=provider,
-        )
-        self.dataset.addProteinDescriptors(calculator=protein_feature_calculator)
-        self.assertEqual(self.dataset.X.shape, (len(self.dataset), len(descset)))
-        self.assertTrue(self.dataset.X.any().any())
-        self.assertTrue(self.dataset.X.any().sum() > 1)
-
-
-class TestPCMDataSetPreparation(DataSetsMixInExtras, DataPrepTestMixIn, TestCase):
-    """Test the preparation of the PCMDataSet."""
-    def fetchDataset(self, name: str) -> PCMDataSet:
-        """Create a quick dataset with the given name.
-
-        Args:
-            name (str): Name of the dataset.
-
-        Returns:
-            PCMDataSet: The dataset.
-        """
-        return self.createPCMDataSet(name)
-
-    @parameterized.expand(
-        DataSetsMixInExtras.getPrepCombos()
-    )  # add @skip("Not now...") below this line to skip these tests
-    def testPrepCombinations(
-        self,
-        _,
-        name: str,
-        feature_calculators: list[DescriptorsCalculator],
-        split: DataSplit,
-        feature_standardizer: SKLearnStandardizer,
-        feature_filter: Callable,
-        data_filter: Callable,
-    ):
-        """Test the preparation of the dataset.
-
-        Use different combinations of
-        feature calculators, feature standardizers, feature filters and data filters.
-
-        Args:
-            name (str): Name of the dataset.
-            feature_calculators (list[DescriptorsCalculator]):
-                List of feature calculators.
-            split (DataSplit): Splitting strategy.
-            feature_standardizer (SKLearnStandardizer): Feature standardizer.
-            feature_filter (Callable): Feature filter.
-            data_filter (Callable): Data filter.
-        """
-        dataset = self.createPCMDataSet(name=name)
-        self.checkPrep(
-            dataset,
-            feature_calculators,
-            split,
-            feature_standardizer,
-            feature_filter,
-            data_filter,
-            ["pchembl_value_Median"],
-        )
-
-
-class TestDescriptorsExtra(DataSetsMixInExtras, TestDescriptorInDataMixIn, TestCase):
-    @parameterized.expand(
-        [
-            (
-                f"{desc_set}",
-                desc_set,
-                [
-                    {
-                        "name": "CL",
-                        "task": TargetTasks.REGRESSION
-                    },
-                    {
-                        "name": "fu",
-                        "task": TargetTasks.SINGLECLASS,
-                        "th": [0.3]
-                    },
-                ],
-            ) for desc_set in DataSetsMixInExtras.getAllDescriptors()
-        ]
-    )
-    def testDescriptorsExtraAll(
-        self,
-        _,
-        desc_set: MoleculeDescriptorSet,
-        target_props: list[dict | TargetProperty],
-    ):
-        """Test the calculation of extra descriptors with data preparation."""
-        np.random.seed(42)
-        dataset = self.createLargeTestDataSet(
-            name=self.getDatSetName(desc_set, target_props), target_props=target_props
-        )
-        self.checkDataSetContainsDescriptorSet(
-            dataset, desc_set, self.getDefaultPrep(), target_props
-        )
-
-
-class TestDescriptorsPCM(DataSetsMixInExtras, TestDescriptorInDataMixIn, TestCase):
-    """Test the calculation of PCM descriptors with data preparation.
-
-    Attributes:
-        defaultMSA (MSAProvider): Default MSA provider.
-    """
-    def setUp(self):
-        super().setUp()
-        self.defaultMSA = self.getMSAProvider()
-
-    def getCalculators(self, desc_sets):
-        return [
-            ProteinDescriptorCalculator(
-                desc_sets=desc_sets, msa_provider=self.defaultMSA
-            )
-        ]
-
-    @parameterized.expand(
-        [
-            (
-                f"{desc_set}_{TargetTasks.MULTICLASS}",
-                desc_set,
-                [
-                    {
-                        "name": "pchembl_value_Median",
-                        "task": TargetTasks.MULTICLASS,
-                        "th": [2.0, 5.5, 6.5, 12.0],
-                    }
-                ],
-            ) for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
-        ] + [
-            (
-                f"{desc_set}_{TargetTasks.REGRESSION}",
-                desc_set,
-                [{
-                    "name": "pchembl_value_Median",
-                    "task": TargetTasks.REGRESSION
-                }],
-            ) for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
-        ] + [
-            (
-                f"{desc_set}_Multitask",
-                desc_set,
-                [
-                    {
-                        "name": "pchembl_value_Median",
-                        "task": TargetTasks.REGRESSION
-                    },
-                    {
-                        "name": "pchembl_value_Mean",
-                        "task": TargetTasks.SINGLECLASS,
-                        "th": [6.5],
-                    },
-                ],
-            ) for desc_set in DataSetsMixInExtras.getAllProteinDescriptors()
-        ]
-    )
-    def testDescriptorsPCMAll(self, _, desc_set, target_props):
-        """Tests all available descriptor sets with data set preparation.
-
-        Note that they are not checked with all possible settings
-        and all possible preparations,
-        but only with the default settings provided
-        by `DataSetsMixIn.getDefaultPrep()`.
-        The list itself is defined and configured
-        by `DataSetsMixIn.getAllDescriptors()`,
-        so if you need a specific descriptor tested, add it there.
-        """
-        np.random.seed(42)
-        dataset = self.createPCMDataSet(
-            name=f"{self.getDatSetName(desc_set, target_props)}_pcm",
-            target_props=target_props,
-        )
-        self.checkDataSetContainsDescriptorSet(
-            dataset, desc_set, self.getDefaultPrep(), target_props
-        )
-        self.checkDataSetContainsDescriptorSet(
-            dataset, desc_set, self.getDefaultPrep(), target_props
-        )
-
-
-class TestPCMSplitters(DataSetsMixInExtras, TestCase):
-    def setUp(self):
-        super().setUp()
-        self.dataset = self.createPCMDataSet(f"{self.__class__.__name__}_test")
-        self.dataset.addProteinDescriptors(
-            calculator=ProteinDescriptorCalculator(
-                desc_sets=[ProDec(sets=["Zscale Hellberg"])],
-                msa_provider=self.getMSAProvider(),
-            )
-        )
-        self.dataset.addDescriptors(
-            calculator=MoleculeDescriptorsCalculator(desc_sets=[RDKitDescs()])
-        )
-
-    @parameterized.expand([(RandomSplit(), ), (ScaffoldSplit(), ), (ClusterSplit(), )])
-    def test_PCMSplit(self, splitter):
-        splitter = PCMSplit(splitter)
-        self.dataset.split(splitter, featurize=True)
-        train, test = self.dataset.getFeatures()
-        train, test = train.index, test.index
-        test_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[test]
-        train_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[train]
-        test_smiles = self.dataset.getProperty(self.dataset.smilesCol).loc[test]
-        train_smiles = self.dataset.getProperty(self.dataset.smilesCol).loc[train]
-        self.assertEqual(len(test_targets), len(test))
-        self.assertEqual(len(train_targets), len(train))
-        self.assertTrue(
-            set(test_smiles.unique()).isdisjoint(set(train_smiles.unique()))
-        )
-
-    def test_LeaveTargetOut(self):
-        target = self.dataset.getProteinKeys()[0:2]
-        splitter = LeaveTargetsOut(targets=target)
-        self.dataset.split(splitter, featurize=True)
-        train, test = self.dataset.getFeatures()
-        train, test = train.index, test.index
-        test_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[test]
-        train_targets = self.dataset.getProperty(self.dataset.proteinCol).loc[train]
-        self.assertEqual(len(test_targets), len(test))
-        self.assertEqual(len(train_targets), len(train))
-        self.assertTrue(
-            set(test_targets.unique()).isdisjoint(set(train_targets.unique()))
-        )
-
-    def test_PerTargetTemporal(self):
-        year_col = "Year"
-        year = 2015
-        splitter = TemporalPerTarget(
-            year_col=year_col,
-            split_years={key: year
-                         for key in self.dataset.getProteinKeys()},
-        )
-        self.dataset.split(splitter, featurize=True)
-        train, test = self.dataset.getFeatures()
-        self.assertTrue(self.dataset.getDF()[year_col].loc[train.index].max() <= year)
-        self.assertTrue(self.dataset.getDF()[year_col].loc[test.index].min() > year)
diff --git a/qsprpred/extra/data/utils/descriptor_utils/__init__.py b/qsprpred/extra/data/utils/descriptor_utils/__init__.py
deleted file mode 100644
index e69de29b..00000000
diff --git a/qsprpred/extra/data/utils/descriptorcalculator.py b/qsprpred/extra/data/utils/descriptorcalculator.py
deleted file mode 100644
index de251d43..00000000
--- a/qsprpred/extra/data/utils/descriptorcalculator.py
+++ /dev/null
@@ -1,115 +0,0 @@
-"""Module containing various extra descriptor calculators."""
-
-import json
-
-import numpy as np
-import pandas as pd
-
-from ....data.utils.descriptorcalculator import DescriptorsCalculator
-from ....utils.inspect import import_class
-from .descriptor_utils.msa_calculator import ClustalMSA, MSAProvider
-from .descriptorsets import ProteinDescriptorSet
-
-
-class ProteinDescriptorCalculator(DescriptorsCalculator):
-    """Class for calculating protein descriptors.
-
-    Arguments:
-        desc_sets (list[ProteinDescriptorSet]): a list of protein descriptor sets to
-            calculate protein descriptors.
-        msa_provider(ClustalMSA): a provider of multiple sequence alignment (MSA)
-            functionality. Defaults to ClustalMSA().
-    """
-    def __init__(
-        self,
-        desc_sets: list[ProteinDescriptorSet],
-        msa_provider: MSAProvider = ClustalMSA(),
-    ) -> None:
-        """Initialize the protein descriptor calculator.
-
-        Args:
-            desc_sets (list[ProteinDescriptorSet]): a list of protein descriptor sets to
-                calculate protein descriptors.
-            msa_provider (MSAProvider): a provide of multiple sequence alignment
-                functionality. Defaults to `ClustalMSA`.
-        """
-        super().__init__(desc_sets)
-        self.msaProvider = msa_provider
-
-    def __call__(
-        self,
-        acc_keys: list[str],
-        sequences: dict[str:str] | None = None,
-        dtype: type = np.float32,
-        **kwargs,
-    ) -> pd.DataFrame:
-        """
-        Calculates descriptors for the given protein accession keys.
-
-        Args:
-            acc_keys (list[str]):
-                List of protein accession keys.
-            sequences (dict[str:str] | None)
-                Dictionary of protein sequences mapping accession keys to
-                the protein sequence. This is only to be specified if
-                one or more descriptor sets require a multiple sequence
-                alignment or the sequences as they are.
-            dtype (type):
-                Data type of the returned dataframe.
-            **kwargs (dict):
-                Additional keyword arguments to be passed to the descriptor sets
-                and the MSA provider.
-        Returns:
-            pd.DataFrame:
-                Dataframe containing the calculated descriptors.
-        """
-        df = pd.DataFrame(index=acc_keys)
-        for descset in self.descSets:
-            # calculate the descriptor values
-            if hasattr(descset, "setMSA"):
-                msa = self.msaProvider(sequences, **kwargs)
-                descset.setMSA(msa)
-            values = descset(acc_keys, sequences, **kwargs)
-            # compile the data into a dataframe
-            if descset.isFP:
-                values.add_prefix(f"{descset.fingerprint_type}_")
-            values = values.astype(dtype)
-            values = self.treatInfs(values)
-            values = values.add_prefix(f"{self.getPrefix()}_{descset}_")
-            df = df.merge(values, left_index=True, right_index=True)
-        # return the dataframe
-        return df
-
-    def getPrefix(self) -> str:
-        return "Descriptor_PCM"
-
-    def toFile(self, fname: str):
-        """Saves the descriptor calculator to file.
-
-        The `msaProvider` is saved to a separate file with the extension
-        `.msaprovider`. The calculated alignment is saved as `.msaprovider.msa`.
-
-        Args:
-            fname (str): File name to save to.
-        """
-        super().toFile(fname)
-        # save msa if available
-        self.msaProvider.toFile(f"{fname}.msaprovider")
-
-    @classmethod
-    def fromFile(cls, fname: str) -> "ProteinDescriptorCalculator":
-        """Loads the descriptor calculator from file.
-
-        Args:
-            fname: Name of the file to load from.
-
-        Returns:
-            ProteinDescriptorCalculator: The loaded descriptor calculator.
-        """
-
-        ret = super().fromFile(fname)
-        with open(f"{fname}.msaprovider", "r") as fh:  # file handle
-            msa_provider_cls = json.load(fh)["class"]
-        msa_provider_cls = import_class(msa_provider_cls)
-        ret.msaProvider = msa_provider_cls.fromFile(f"{fname}.msaprovider")
-        return ret
diff --git a/qsprpred/extra/data/utils/descriptor_utils/msa_calculator.py b/qsprpred/extra/data/utils/msa_calculator.py
similarity index 72%
rename from qsprpred/extra/data/utils/descriptor_utils/msa_calculator.py
rename to qsprpred/extra/data/utils/msa_calculator.py
index a854d020..af63d458 100644
--- a/qsprpred/extra/data/utils/descriptor_utils/msa_calculator.py
+++ b/qsprpred/extra/data/utils/msa_calculator.py
@@ -6,27 +6,27 @@
 such as `ProDec`.
 """
 
-import json
-import os.path
+import shutil
 from abc import ABC, abstractmethod
 
 import Bio
 import Bio.SeqIO as Bio_SeqIO
 from Bio.Align.Applications import ClustalOmegaCommandline, MafftCommandline
 
-from .....logs import logger
+from qsprpred.utils.serialization import FileSerializable, JSONSerializable
 
 
-class MSAProvider(ABC):
+class MSAProvider(FileSerializable, ABC):
     """Interface for multiple sequence alignment providers.
 
     This interface defines how calculation and storage of
     multiple sequence alignments (MSAs) is handled.
     """
+
     @abstractmethod
-    def __call__(self,
-                 sequences: dict[str:str] | None = None,
-                 **kwargs) -> dict[str:str] | None:
+    def __call__(
+        self, sequences: dict[str:str] | None = None, **kwargs
+    ) -> dict[str:str] | None:
         """
         Aligns the sequences and returns the alignment.
 
@@ -59,33 +59,8 @@ def current(self) -> dict[str:str] | None:
             alignment (dict[str:str] | None): the current alignment
         """
 
-    @classmethod
-    @abstractmethod
-    def fromFile(cls, fname: str) -> "MSAProvider":
-        """
-        Creates an MSA provider object from a JSON file.
-
-        Args:
-            fname (str): file name of the JSON file to load the provider from
-
-        Returns:
-            provider (MSAProvider): the loaded provider
-        """
-
-    @abstractmethod
-    def toFile(self, fname: str) -> str:
-        """
-        Saves the MSA provider to a JSON file.
-
-        Args:
-            fname (str): file name of the JSON file to save the provider to
-
-        Returns:
-            path (str): path to the saved file
-        """
-
 
-class BioPythonMSA(MSAProvider, ABC):
+class BioPythonMSA(MSAProvider, JSONSerializable, ABC):
     """
     Common functionality for MSA providers using BioPython command line wrappers.
 
@@ -94,6 +69,7 @@ class BioPythonMSA(MSAProvider, ABC):
         fname: file name of the alignment file
         cache: cache of alignments performed so far by the provider
     """
+
     def __init__(self, out_dir: str = ".", fname: str = "alignment.aln-fasta.fasta"):
         """Initializes the MSA provider.
 
@@ -101,11 +77,24 @@ def __init__(self, out_dir: str = ".", fname: str = "alignment.aln-fasta.fasta")
             out_dir (str): directory to save the alignment to
             fname (str): file name of the alignment file
         """
+        if not self.checkTool():
+            raise RuntimeError(
+                f"The tool commnad '{self.cmd}' " f"was not found. Please install it."
+            )
         self.outDir = out_dir
         self.fName = fname
         self.cache = {}
         self._current = None
 
+    @property
+    @abstractmethod
+    def cmd(self) -> str:
+        """The command that runs the alignment algorithm.
+
+        Returns:
+            cmd (str): the command to run the alignment algorithm
+        """
+
     def getFromCache(self, target_ids: list[str]) -> dict[str:str] | None:
         """
         Gets the alignment from the cache if it exists for a `list` of sequence IDs.
@@ -135,76 +124,10 @@ def saveToCache(self, target_ids: list[str], alignment: dict[str:str]):
         key = "~".join(target_ids)
         self.cache[key] = alignment
 
-    def currentToFile(self, fname: str):
-        """
-        Saves the current alignment to a JSON file.
-        """
-        if self.current:
-            with open(fname, "w") as f:
-                json.dump(self.current, f)
-        else:
-            logger.warning("No current alignment to save. File not created.")
-
-    def currentFromFile(self, fname: str) -> dict[str:str]:
-        """
-        Loads the alignment from a JSON file.
-
-        Args:
-            fname (str): file name of the JSON file to load the alignment from
-
-        Returns:
-            alignment (dict[str:str]): the loaded alignment
-        """
-        with open(fname, "r") as f:
-            self._current = json.load(f)
-            self.saveToCache(sorted(self.current.keys()), self.current)
-            return self.current
-
     @property
     def current(self):
         return self._current
 
-    @classmethod
-    def fromFile(cls, fname: str) -> dict[str:str]:
-        """Creates an MSA provider object from a JSON file.
-
-
-        Args:
-            fname (str):
-                file name of the JSON file to load the provider from
-
-        Returns:
-            provider (dict[str:str]):
-                Current MSA
-
-        """
-        with open(fname, "r") as f:
-            data = json.load(f)
-        ret = cls(data["out_dir"], data["fname"])
-        current_path = f"{os.path.dirname(fname)}/{data['current']}"
-        ret.currentFromFile(current_path)
-        return ret
-
-    def toFile(self, fname: str):
-        """Saves the MSA provider to a JSON file.
-
-        Args:
-            fname (str):
-                file name of the JSON file to save the provider to
-        """
-        current_path = f"{os.path.basename(fname)}.msa"
-        with open(fname, "w") as f:
-            json.dump(
-                {
-                    "out_dir": self.outDir,
-                    "fname": self.fName,
-                    "current": current_path,
-                    "class": f"{self.__class__.__module__}.{self.__class__.__name__}",
-                },
-                f,
-            )
-        self.currentToFile(os.path.join(os.path.dirname(fname), current_path))
-
     def parseSequences(self, sequences: dict[str, str], **kwargs) -> tuple[str, int]:
         """Create object with sequences and the passed metadata.
 
@@ -259,6 +182,10 @@ def parseAlignment(self, sequences: dict[str:str]) -> dict[str, str]:
         self._current = alignment
         return alignment
 
+    def checkTool(self) -> bool:
+        """Check if the MAFFT tool is installed"""
+        return shutil.which(self.cmd) is not None
+
 
 class MAFFT(BioPythonMSA):
     """
@@ -268,9 +195,10 @@ class MAFFT(BioPythonMSA):
     Uses the BioPython wrapper for MAFFT:
     - https://biopython.org/docs/1.76/api/Bio.Align.Applications.html#Bio.Align.Applications.MafftCommandline
     """
-    def __call__(self,
-                 sequences: dict[str:str] | None = None,
-                 **kwargs) -> dict[str, str] | None:
+
+    def __call__(
+        self, sequences: dict[str:str] | None = None, **kwargs
+    ) -> dict[str, str] | None:
         """
         MSA with MAFFT and BioPython.
 
@@ -307,7 +235,13 @@ def __call__(self,
         stdout, stderr = cmd()
         with open(f"{self.outDir}/{self.fName}", "w") as handle:
             handle.write(stdout)
-        return self.parseAlignment(sequences)
+        alignment = self.parseAlignment(sequences)
+        self.saveToCache(sorted(sequences.keys()), alignment)
+        return alignment
+
+    @property
+    def cmd(self) -> str:
+        return "mafft"
 
 
 class ClustalMSA(BioPythonMSA):
@@ -318,9 +252,10 @@ class ClustalMSA(BioPythonMSA):
     Uses the BioPython wrapper for Clustal Omega
     - https://biopython.org/docs/1.76/api/Bio.Align.Applications.html#Bio.Align.Applications.ClustalOmegaCommandline
     """
-    def __call__(self,
-                 sequences: dict[str:str] = None,
-                 **kwargs) -> dict[str, str] | None:
+
+    def __call__(
+        self, sequences: dict[str:str] = None, **kwargs
+    ) -> dict[str, str] | None:
         """
         MSA with Clustal Omega and BioPython.
 
@@ -355,4 +290,10 @@ def __call__(self,
             outfmt="fasta",
         )
         clustal_omega_cline()
-        return self.parseAlignment(sequences)
+        alignment = self.parseAlignment(sequences)
+        self.saveToCache(sorted(sequences.keys()), alignment)
+        return alignment
+
+    @property
+    def cmd(self) -> str:
+        return "clustalo"
diff --git a/qsprpred/extra/data/utils/testing/__init__.py b/qsprpred/extra/data/utils/testing/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/extra/data/utils/testing/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/extra/data/utils/testing/path_mixins.py b/qsprpred/extra/data/utils/testing/path_mixins.py
new file mode 100644
index 00000000..3f746081
--- /dev/null
+++ b/qsprpred/extra/data/utils/testing/path_mixins.py
@@ -0,0 +1,186 @@
+import os
+import platform
+import tempfile
+from typing import Callable
+
+import pandas as pd
+
+from qsprpred import TargetProperty, TargetTasks
+from qsprpred.data.descriptors.sets import DescriptorSet
+from qsprpred.extra.data.descriptors.fingerprints import (
+    CDKFP,
+    CDKExtendedFP,
+    CDKEStateFP,
+    CDKGraphOnlyFP,
+    CDKMACCSFP,
+    CDKPubchemFP,
+    CDKSubstructureFP,
+    CDKKlekotaRothFP,
+    CDKAtomPairs2DFP,
+)
+from qsprpred.extra.data.descriptors.sets import (
+    Mordred,
+    Mold2,
+    PaDEL,
+    ExtendedValenceSignature,
+    ProteinDescriptorSet,
+    ProDec,
+)
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from qsprpred.extra.data.utils.msa_calculator import ClustalMSA
+from qsprpred.logs import logger
+from qsprpred.utils.testing.path_mixins import DataSetsPathMixIn
+
+
+class DataSetsMixInExtras(DataSetsPathMixIn):
+    """MixIn class for testing data sets in extras."""
+
+    def setUpPaths(self):
+        super().setUpPaths()
+        self.dataPathPCM = f"{os.path.dirname(__file__)}/test_files/data"
+
+    @classmethod
+    def getAllDescriptors(cls) -> list[DescriptorSet]:
+        """Return a list of all available molecule descriptor sets.
+
+        Returns:
+            list: list of `MoleculeDescriptorSet` objects
+        """
+        ret = [
+            Mordred(),
+            CDKFP(size=2048, search_depth=7),
+            CDKExtendedFP(),
+            CDKEStateFP(),
+            CDKGraphOnlyFP(size=2048, search_depth=7),
+            CDKMACCSFP(),
+            CDKPubchemFP(),
+            CDKSubstructureFP(use_counts=False),
+            CDKKlekotaRothFP(use_counts=True),
+            CDKAtomPairs2DFP(use_counts=False),
+            CDKSubstructureFP(use_counts=True),
+            CDKKlekotaRothFP(use_counts=False),
+            CDKAtomPairs2DFP(use_counts=True),
+            PaDEL(),
+            ExtendedValenceSignature(1),
+        ]
+        if platform.system() != "Darwin":
+            ret.append(Mold2())
+        else:
+            # not supported on macOS
+            logger.warning(
+                "Mold2 is not supported on macOS. "
+                "Skipping Mold2 descriptor set in tests."
+            )
+        return ret
+
+    @classmethod
+    def getAllProteinDescriptors(cls) -> list[ProteinDescriptorSet]:
+        """Return a list of all available protein descriptor sets.
+
+        Returns:
+            list: list of `ProteinDescriptorSet` objects
+        """
+
+        return [
+            ProDec(
+                sets=["Zscale Hellberg"],
+                msa_provider=cls.getMSAProvider(tempfile.mkdtemp()),
+            ),
+            ProDec(
+                sets=["Sneath"], msa_provider=cls.getMSAProvider(tempfile.mkdtemp())
+            ),
+        ]
+
+    @classmethod
+    def getDefaultCalculatorCombo(cls):
+        """Return the default descriptor calculator combo."""
+        # only first molecule calculator and first protein calculator to save time
+        mol_calc = super().getDefaultCalculatorCombo()[0][0]
+        prot_calc = cls.getAllProteinDescriptors()[0]
+        return [(mol_calc, prot_calc)]
+
+    def getPCMDF(self) -> pd.DataFrame:
+        """Return a test dataframe with PCM data.
+
+        Returns:
+            pd.DataFrame: dataframe with PCM data
+        """
+        return pd.read_csv(f"{self.dataPathPCM}/pcm_sample.csv")
+
+    def getPCMTargetsDF(self) -> pd.DataFrame:
+        """Return a test dataframe with PCM targets and their sequences.
+
+        Returns:
+            pd.DataFrame: dataframe with PCM targets and their sequences
+        """
+        return pd.read_csv(f"{self.dataPathPCM}/pcm_sample_targets.csv")
+
+    def getPCMSeqProvider(
+        self,
+    ) -> Callable[[list[str]], tuple[dict[str, str], dict[str, dict]]]:
+        """Return a function that provides sequences for given accessions.
+
+        Returns:
+            Callable[[list[str]], tuple[dict[str, str], dict[str, dict]]]:
+                function that provides sequences for given accessions
+        """
+        df_seq = self.getPCMTargetsDF()
+        mapper = {}
+        kwargs_map = {}
+        for i, row in df_seq.iterrows():
+            mapper[row["accession"]] = row["Sequence"]
+            kwargs_map[row["accession"]] = {
+                "Classification": row["Classification"],
+                "Organism": row["Organism"],
+                "UniProtID": row["UniProtID"],
+            }
+
+        return lambda acc_keys: (
+            {acc: mapper[acc] for acc in acc_keys},
+            {acc: kwargs_map[acc] for acc in acc_keys},
+        )
+
+    @classmethod
+    def getMSAProvider(cls, out_dir: str):
+        return ClustalMSA(out_dir=out_dir)
+
+    def createPCMDataSet(
+        self,
+        name: str = "QSPRDataset_test_pcm",
+        target_props: list[TargetProperty]
+        | list[dict] = [
+            {"name": "pchembl_value_Median", "task": TargetTasks.REGRESSION}
+        ],
+        preparation_settings: dict | None = None,
+        protein_col: str = "accession",
+        random_state: int | None = None,
+    ):
+        """Create a small dataset for testing purposes.
+
+        Args:
+            name (str, optional):
+                name of the dataset. Defaults to "QSPRDataset_test".
+            target_props (list[TargetProperty] | list[dict], optional):
+                target properties.
+            preparation_settings (dict | None, optional):
+                preparation settings. Defaults to None.
+            protein_col (str, optional):
+                name of the column with protein accessions. Defaults to "accession".
+            random_state (int, optional):
+                random seed to use in the dataset. Defaults to `None`
+        Returns:
+            QSPRDataset: a `QSPRDataset` object
+        """
+        df = self.getPCMDF()
+        ret = PCMDataSet(
+            name,
+            protein_col=protein_col,
+            protein_seq_provider=self.getPCMSeqProvider(),
+            target_props=target_props,
+            df=df,
+            store_dir=self.generatedDataPath,
+            random_state=random_state,
+        )
+        if preparation_settings:
+            ret.prepareDataset(**preparation_settings)
+        return ret
diff --git a/qsprpred/extra/data/test_files/data/pcm_sample.csv b/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv
similarity index 100%
rename from qsprpred/extra/data/test_files/data/pcm_sample.csv
rename to qsprpred/extra/data/utils/testing/test_files/data/pcm_sample.csv
diff --git a/qsprpred/extra/data/test_files/data/pcm_sample_targets.csv b/qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv
similarity index 100%
rename from qsprpred/extra/data/test_files/data/pcm_sample_targets.csv
rename to qsprpred/extra/data/utils/testing/test_files/data/pcm_sample_targets.csv
diff --git a/qsprpred/extra/gpu/__init__.py b/qsprpred/extra/gpu/__init__.py
index e190a2a6..096254be 100644
--- a/qsprpred/extra/gpu/__init__.py
+++ b/qsprpred/extra/gpu/__init__.py
@@ -1,14 +1,11 @@
-import pkg_resources
-import torch
-
-# set default number of threads to 1
-torch.set_num_threads(1)
-# set default device to GPU if available
-DEFAULT_DEVICE = (
-    torch.device("cuda") if torch.cuda.is_available() else torch.device("cpu")
-)
-DEFAULT_GPUS = (0, )
-# set default parameter search space path
-SSPACE = pkg_resources.resource_filename(
-    "qsprpred.extra.gpu", "models/search_space.json"
-)
+try:
+    import torch
+    # set default number of threads to 1
+    torch.set_num_threads(1)
+    # set default device to GPU if available
+    DEFAULT_TORCH_DEVICE = (
+        torch.device("cuda") if torch.cuda.is_available() else torch.device("cpu")
+    )
+    DEFAULT_TORCH_GPUS = (0,)
+except ImportError:
+    pass
diff --git a/qsprpred/extra/gpu/models/chemprop.py b/qsprpred/extra/gpu/models/chemprop.py
index 127780da..43ccbb04 100644
--- a/qsprpred/extra/gpu/models/chemprop.py
+++ b/qsprpred/extra/gpu/models/chemprop.py
@@ -8,14 +8,18 @@
 import numpy as np
 import pandas as pd
 import torch
+from sklearn.model_selection import ShuffleSplit
 from tensorboardX import SummaryWriter
 from torch.optim.lr_scheduler import ExponentialLR
 from tqdm import trange
 
-from ....data.data import QSPRDataset
+from qsprpred.data.sampling.splits import DataSplit
+from qsprpred.tasks import ModelTasks
+from ....data.tables.qspr import QSPRDataset
+from ....logs import logger
 from ....models.early_stopping import EarlyStoppingMode, early_stopping
-from ....models.interfaces import QSPRModel
-from ....models.tasks import ModelTasks
+from ....models.models import QSPRModel
+from ....models.monitors import BaseMonitor, FitMonitor
 
 
 class ChempropMoleculeModel(chemprop.models.MoleculeModel):
@@ -26,6 +30,7 @@ class ChempropMoleculeModel(chemprop.models.MoleculeModel):
         scaler (chemprop.data.scaler.StandardScaler):
             scaler for scaling the targets
     """
+
     def __init__(
         self,
         args: chemprop.args.TrainArgs,
@@ -89,6 +94,7 @@ def getTrainArgs(args: dict | None, task: ModelTasks) -> chemprop.args.TrainArgs
         train_args = chemprop.args.TrainArgs()
         train_args.from_dict(args, skip_unsettable=True)
         train_args.process_args()
+        train_args.spectra_phase_mask = False  # always disable spectra phase mask
         return train_args
 
 
@@ -109,22 +115,20 @@ class ChempropModel(QSPRModel):
         featureStandardizer (SKLearnStandardizer):
             feature standardizer instance taken from the data set
             or deserialized from file if the model is loaded without data
-        metaInfo (dict):
-            dictionary of metadata about the model,
-            only available after the model is saved
         baseDir (str):
             base directory of the model,
             the model files are stored in a subdirectory `{baseDir}/{outDir}/`
-        metaFile (str):
-            absolute path to the metadata file of the model (`{outPrefix}_meta.json`)
     """
+
+    _notJSON = [*QSPRModel._notJSON, "chempropLogger"]
+
     def __init__(
         self,
         base_dir: str,
-        data: QSPRDataset | None = None,
         name: str | None = None,
         parameters: dict | None = None,
         autoload=True,
+        random_state: int | None = None,
         quiet_logger: bool = True,
     ):
         """Initialize a Chemprop instance.
@@ -136,7 +140,6 @@ def __init__(
             base_dir (str):
                 base directory of the model, the model files are stored in a
                 subdirectory `{baseDir}/{outDir}/`
-            data (QSPRDataset): data set used to train the model
             name (str): name of the model
             parameters (dict): dictionary of algorithm specific parameters
             autoload (bool):
@@ -147,7 +150,7 @@ def __init__(
         """
         alg = ChempropMoleculeModel  # wrapper for chemprop.models.MoleculeModel
         self.quietLogger = quiet_logger
-        super().__init__(base_dir, alg, data, name, parameters, autoload)
+        super().__init__(base_dir, alg, name, parameters, autoload, random_state)
         self.chempropLogger = chemprop.utils.create_logger(
             name="chemprop_logger", save_dir=self.outDir, quiet=quiet_logger
         )
@@ -163,10 +166,12 @@ def supportsEarlyStopping(self) -> bool:
     @early_stopping
     def fit(
         self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        y: pd.DataFrame | np.ndarray | QSPRDataset,
+        X: pd.DataFrame | np.ndarray,
+        y: pd.DataFrame | np.ndarray,
         estimator: Any = None,
         mode: EarlyStoppingMode = EarlyStoppingMode.NOT_RECORDING,
+        split: DataSplit | None = None,
+        monitor: FitMonitor | None = None,
         keep_logs: bool = False,
     ) -> Any | tuple[ChempropMoleculeModel, int | None]:
         """Fit the model to the given data matrix or `QSPRDataset`.
@@ -178,51 +183,52 @@ def fit(
               is used.
 
         Args:
-            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit
-            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
+            X (pd.DataFrame, np.ndarray): data matrix to fit
+            y (pd.DataFrame, np.ndarray): target matrix to fit
             estimator (Any): estimator instance to use for fitting
-            early_stopping (bool): if True, early stopping is used,
-                                   only applies to models that support early stopping.
+            mode (EarlyStoppingMode): mode to use for early stopping
+            monitor (FitMonitor): monitor to use for fitting, if None, a BaseMonitor
+                is used
 
         Returns:
             Any: fitted estimator instance
             int: in case of early stopping, the number of iterations
                 after which the model stopped training
         """
+        monitor = BaseMonitor() if monitor is None else monitor
         estimator = self.estimator if estimator is None else estimator
-
-        # convert data to chemprop MoleculeDataset
-        data = self.convertToMoleculeDataset(X, y)
-        args = estimator.args
-
-        # Set pytorch seed for random initial weights
-        torch.manual_seed(args.pytorch_seed)
-
-        # set task names
-        args.task_names = [prop.name for prop in self.data.targetProperties]
+        split = split or ShuffleSplit(
+            n_splits=1, test_size=0.1, random_state=self.randomState
+        )
 
         # Create validation data when using early stopping
+        X, y = self.convertToNumpy(X, y)
         if self.earlyStopping:
-            self.chempropLogger.debug(f"Splitting data with seed {args.seed}")
-            train_data, val_data, _ = chemprop.data.utils.split_data(
-                data=data,
-                split_type=args.split_type,
-                sizes=args.split_sizes if args.split_sizes[2] == 0 else [0.9, 0.1, 0],
-                seed=args.seed,
-                args=args,
-                logger=self.chempropLogger,
-            )
+            train_index, val_index = next(split.split(X, y))
+            train_data = X[train_index, :], y[train_index]
+            val_data = X[val_index, :], y[val_index]
+            monitor.onFitStart(self, *train_data, *val_data)
+            train_data = self.convertToMoleculeDataset(*train_data)
+            val_data = self.convertToMoleculeDataset(*val_data)
         else:
-            train_data = data
+            train_data = self.convertToMoleculeDataset(
+                X, y
+            )  # convert data to chemprop MoleculeDataset
+            monitor.onFitStart(self, X, y)
+
+        args = estimator.args
+
+        # set task names
+        args.task_names = [prop.name for prop in self.targetProperties]
 
         # Get number of molecules per class in training data
         if args.dataset_type == "classification":
-            class_sizes = chemprop.data.utils.get_class_sizes(data)
+            class_sizes = chemprop.data.utils.get_class_sizes(train_data)
             self.chempropLogger.debug("Class sizes")
             for i, task_class_sizes in enumerate(class_sizes):
                 self.chempropLogger.debug(
                     f"{args.task_names[i]} "
-                    f"{', '.join(f'{cls}: {size * 100:.2f}%' for cls, size in enumerate(task_class_sizes))}"  # noqa: E501
+                    f"{', '.join(f'{cls}: {size * 100:.2f}%' for cls, size in enumerate(task_class_sizes))}"
                 )
             train_class_sizes = chemprop.data.utils.get_class_sizes(
                 train_data, proportion=False
@@ -233,12 +239,13 @@ def fit(
         args.train_data_size = len(train_data)
 
         # log data size
-        self.chempropLogger.debug(f"Total size = {len(data):,}")
+        total_data_size = len(train_data)
         if self.earlyStopping:
+            total_data_size += len(val_data)
             self.chempropLogger.debug(
-                f"train size = {len(train_data):,}"
-                f" | val size = {len(val_data):,}"
+                f"train size = {len(train_data):,}" f" | val size = {len(val_data):,}"
             )
+        self.chempropLogger.debug(f"Total size = {total_data_size:,}")
 
         # Initialize scaler and standard scale training targets (regression only)
         if args.dataset_type == "regression":
@@ -251,7 +258,7 @@ def fit(
         loss_func = chemprop.train.loss_functions.get_loss_func(args)
 
         # Automatically determine whether to cache
-        if len(data) <= args.cache_cutoff:
+        if len(train_data) <= args.cache_cutoff:
             chemprop.data.set_cache_graph(True)
             num_workers = 0
         else:
@@ -265,7 +272,7 @@ def fit(
             num_workers=num_workers,
             class_balance=args.class_balance,
             shuffle=True,
-            seed=args.seed,
+            seed=self.randomState,
         )
         if self.earlyStopping:
             val_data_loader = chemprop.data.MoleculeDataLoader(
@@ -308,7 +315,14 @@ def fit(
         n_epochs = (
             self.earlyStopping.getEpochs() if not self.earlyStopping else args.epochs
         )
+        if not n_epochs:
+            raise ValueError(
+                f"Number of epochs must be greater " f"than 0. Got: {n_epochs}"
+            )
+        best_estimator = estimator
+        best_found = False
         for epoch in trange(n_epochs):
+            monitor.onEpochStart(epoch)
             self.chempropLogger.debug(f"Epoch {epoch}")
             n_iter = chemprop.train.train(
                 model=estimator,
@@ -340,8 +354,7 @@ def fit(
                         scores, metric=metric
                     )
                     self.chempropLogger.debug(
-                        f"Validation {metric} = "
-                        f"{mean_val_score:.6f}"
+                        f"Validation {metric} = " f"{mean_val_score:.6f}"
                     )
                     writer.add_scalar(f"validation_{metric}", mean_val_score, n_iter)
 
@@ -349,8 +362,7 @@ def fit(
                         # Individual validation scores
                         for task_name, val_score in zip(args.task_names, scores):
                             self.chempropLogger.debug(
-                                f"Validation {task_name} {metric}"
-                                f" = {val_score:.6f}"
+                                f"Validation {task_name} {metric}" f" = {val_score:.6f}"
                             )
                             writer.add_scalar(
                                 f"validation_{task_name}_{metric}", val_score, n_iter
@@ -360,25 +372,33 @@ def fit(
                 mean_val_score = chemprop.utils.multitask_mean(
                     val_scores[args.metric], metric=args.metric
                 )
+                monitor.onEpochEnd(epoch, mean_val_score)
                 if (
-                    args.minimize_score and mean_val_score < best_score or
-                    not args.minimize_score and mean_val_score > best_score
+                    args.minimize_score
+                    and mean_val_score < best_score
+                    or not args.minimize_score
+                    and mean_val_score > best_score
                 ):
                     best_score, best_epoch = mean_val_score, epoch
                     best_estimator = deepcopy(estimator)
+                    best_found = True
                 # Evaluate on test set using model with best validation score
                 self.chempropLogger.info(
                     f"Model best validation {args.metric} = {best_score:.6f} on epoch \
                     {best_epoch}"
                 )
-
         writer.close()
+        if not best_found:
+            logger.warning(
+                "Early stopping did not yield a best model, using last model instead."
+            )
         if not keep_logs:
             # remove temp directory with logs
             shutil.rmtree(save_dir)
-
         if self.earlyStopping:
+            monitor.onFitEnd(best_estimator, best_epoch)
             return best_estimator, best_epoch
+        monitor.onFitEnd(estimator)
         return estimator, None
 
     def predict(
@@ -479,12 +499,17 @@ def loadEstimator(self, params: dict | None = None) -> object:
         Returns:
             object: initialized estimator instance
         """
+        if not self.targetProperties:
+            return "Unititialized estimator, no target properties found yet."
+        # set torch random seed if applicable
+        if self.randomState is not None:
+            torch.manual_seed(self.randomState)
         self.checkArgs(params)
         new_parameters = self.getParameters(params)
         args = ChempropMoleculeModel.getTrainArgs(new_parameters, self.task)
 
         # set task names
-        args.task_names = [prop.name for prop in self.data.targetProperties]
+        args.task_names = [prop.name for prop in self.targetProperties]
 
         return self.alg(args)
 
@@ -500,14 +525,15 @@ def loadEstimatorFromFile(
         Returns:
             object: initialized estimator instance
         """
+        # set torch random seed if applicable
+        if self.randomState is not None:
+            torch.manual_seed(self.randomState)
         path = f"{self.outPrefix}.pt"
         # load model state from file
         if os.path.isfile(path):
             if not hasattr(self, "chempropLogger"):
                 self.chempropLogger = chemprop.utils.create_logger(
-                    name="chemprop_logger",
-                    save_dir=self.outDir,
-                    quiet=self.quietLogger
+                    name="chemprop_logger", save_dir=self.outDir, quiet=self.quietLogger
                 )
 
             estimator = ChempropMoleculeModel.cast(
@@ -574,7 +600,7 @@ def convertToMoleculeDataset(
         # find which column contains the SMILES strings
         prev_len = 0
         for calc in self.featureCalculators:
-            names = calc.getDescriptorNames()
+            names = calc.descriptors
             if "SMILES" in names:
                 smiles_column = names.index("SMILES") + prev_len
                 break
@@ -611,7 +637,8 @@ def convertToMoleculeDataset(
                     smiles=[smile],
                     targets=targets,
                     features=features_data[i] if features_data is not None else None,
-                ) for i, (smile, targets) in enumerate(zip(smiles, y))
+                )
+                for i, (smile, targets) in enumerate(zip(smiles, y))
             ]
         )
 
@@ -636,51 +663,18 @@ def checkArgs(self, args: chemprop.args.TrainArgs | dict):
             args (chemprop.args.TrainArgs, dict): arguments to check
         """
         # List of arguments from chemprop that are using in the QSPRpred implementation.
-        used_args = [
-            "no_cuda",
-            "gpu",
-            "num_workers",
-            "batch_size",
-            "no_cache_mol",
-            "empty_cache",
-            "loss_function",
-            "split_sizes",
-            "seed",
-            "pytorch_seed",
-            "metric",
-            "bias",
-            "hidden_size",
-            "depth",
-            "mpn_shared",
-            "dropout",
-            "activation",
-            "atom_messages",
-            "undirected",
-            "ffn_hidden_size",
-            "ffn_num_layers",
-            "explicit_h",
-            "adding_h",
-            "epochs",
-            "warmup_epochs",
-            "init_lr",
-            "max_lr",
-            "final_lr",
-            "grad_clip",
-            "class_balance",
-            "evidential_regularization",
-            "minimize_score",
-            "num_tasks",
-            "dataset_type",
-            "metrics",
-            "task_names",
+        used_args = self.getAvailableParameters().keys()
+        used_args = list(used_args) + [
+            "minimize_score",  # derived from metric
+            "num_tasks",  # derived from target properties
+            "dataset_type",  # derived from task
+            "metrics",  # equal to metric in QSPRpred
+            "task_names",  # derived from target properties
         ]
 
         # Create dummy args to check what default argument values are in chemprop
         default_args = chemprop.args.TrainArgs().from_dict(
-            args_dict={
-                "dataset_type": "regression",
-                "data_path": ""
-            }
+            args_dict={"dataset_type": "regression", "data_path": ""}
         )
         default_args.process_args()
         default_args = default_args.as_dict()
@@ -722,11 +716,68 @@ def checkArgs(self, args: chemprop.args.TrainArgs | dict):
             args = chemprop.args.TrainArgs().from_dict(args, skip_unsettable=True)
             args.process_args()
 
-        assert args.split_type in [
-            "random",
-            "scaffold_balanced",
-            "random_with_repeated_smiles",
-        ], (
-            "split_type must be 'random', 'scaffold_balanced' or "
-            "random_with_repeated_smiles'."
+    @staticmethod
+    def getAvailableParameters():
+        """Return a dictionary of available parameters for the algorithm.
+
+        Definitions and default values can be found on the Chemprop github
+        (https://github.com/chemprop/chemprop/blob/master/chemprop/args.py)
+        """
+        return {
+            "no_cuda": "Turn off cuda (i.e., use CPU instead of GPU).",
+            "gpu": "Which GPU to use.",
+            "num_workers": "Number of workers for the parallel data loading (0 means sequential).",
+            "batch_size": "Batch size.",
+            "no_cache_mol": "Whether to not cache the RDKit molecule for each SMILES string to "
+            "reduce memory usage (cached by default).",
+            "empty_cache": "Whether to empty all caches before training or predicting. This is "
+            "necessary if multiple jobs are run within a single script and the "
+            "atom or bond features change.",
+            "loss_function": "Choice of loss function. Loss functions are limited to compatible "
+            "dataset types.",
+            "metric": "Metric to use with the validation set for early stopping. Defaults "
+            "to 'auc' for classification, 'rmse' for regression. Note. In Chemprop "
+            "this metric is also used for test-set evaluation, but in QSPRpred "
+            "this is determined by the scoring parameter in assessment.",
+            "bias": "Whether to add bias to linear layers.",
+            "hidden_size": "Dimensionality of hidden layers in MPN.",
+            "depth": "Number of message passing steps.",
+            "mpn_shared": "Whether to use the same message passing neural network for all input "
+            "molecule Only relevant if 'number_of_molecules > 1'",
+            "dropout": "Dropout probability.",
+            "activation": "Activation function.",
+            "atom_messages": "Centers messages on atoms instead of on bonds.",
+            "undirected": "Undirected edges (always sum the two relevant bond vectors).",
+            "ffn_hidden_size": "Hidden dim for higher-capacity FFN (defaults to hidden_size).",
+            "ffn_num_layers": "Number of layers in FFN after MPN encoding.",
+            "epochs": "Number of epochs to run.",
+            "warmup_epochs": "Number of epochs during which learning rate increases linearly from "
+            "'init_lr' to 'max_lr'. Afterwards, learning rate decreases "
+            "exponentially from 'max_lr' to 'final_lr'.",
+            "init_lr": "Initial learning rate.",
+            "max_lr": "Maximum learning rate.",
+            "final_lr": "Final learning rate.",
+            "grad_clip": "Maximum magnitude of gradient during training.",
+            "class_balance": "Trains with an equal number of positives and negatives in each batch.",
+            "evidential_regularization": "Value used in regularization for evidential loss function. The "
+            "default value recommended by Soleimany et al.(2021) is 0.2. Optimal "
+            "value is dataset-dependent; it is recommended that users test "
+            "different values to find the best value for their model.",
+        }
+
+    @classmethod
+    def fromFile(cls, filename: str) -> "ChempropModel":
+        ret = super().fromFile(filename)
+        ret.chempropLogger = chemprop.utils.create_logger(
+            name="chemprop_logger", save_dir=ret.outDir, quiet=ret.quietLogger
         )
+        return ret
+
+    def setParams(self, params: dict):
+        """Set parameters of the model.
+
+        Args:
+            params (dict): parameters
+        """
+        super().setParams(params)
+        self.estimator = self.loadEstimator(self.parameters)
diff --git a/qsprpred/extra/gpu/models/dnn.py b/qsprpred/extra/gpu/models/dnn.py
index 6111942f..e790535c 100644
--- a/qsprpred/extra/gpu/models/dnn.py
+++ b/qsprpred/extra/gpu/models/dnn.py
@@ -1,8 +1,6 @@
 """Here the DNN model originally from DrugEx can be found.
 
 At the moment this contains a class for fully-connected DNNs.
-To add more a model class implementing the `QSPRModel` interface can be added,
-see tutorial adding_new_components.
 """
 import os
 from typing import Any, Type
@@ -10,14 +8,16 @@
 import numpy as np
 import pandas as pd
 import torch
-from sklearn.model_selection import train_test_split
+from sklearn.model_selection import ShuffleSplit
 
-from ....data.data import QSPRDataset
-from ....extra.gpu import DEFAULT_DEVICE, DEFAULT_GPUS, SSPACE
+from qsprpred.tasks import ModelTasks
+from .. import DEFAULT_TORCH_DEVICE, DEFAULT_TORCH_GPUS
+from ....data.sampling.splits import DataSplit
+from ....data.tables.qspr import QSPRDataset
 from ....extra.gpu.models.neural_network import STFullyConnected
 from ....models.early_stopping import EarlyStoppingMode, early_stopping
-from ....models.interfaces import QSPRModel
-from ....models.tasks import ModelTasks
+from ....models.models import QSPRModel
+from ....models.monitors import BaseMonitor, FitMonitor
 
 
 class DNNModel(QSPRModel):
@@ -28,11 +28,10 @@ class DNNModel(QSPRModel):
 
     Attributes:
         name (str): name of the model
-        data (QSPRDataset): data set used to train the model
         alg (estimator): estimator instance or class
         parameters (dict): dictionary of algorithm specific parameters
         estimator (object):
-            the underlying estimator instance, if `fit` or optimization is perforemed,
+            the underlying estimator instance, if `fit` or optimization is performed,
             this model instance gets updated accordingly
         featureCalculators (MoleculeDescriptorsCalculator):
             feature calculator instance taken from the data set
@@ -40,14 +39,9 @@ class DNNModel(QSPRModel):
         featureStandardizer (SKLearnStandardizer):
             feature standardizer instance taken from the data set
             or deserialized from file if the model is loaded without data
-        metaInfo (dict):
-            dictionary of metadata about the model, only available
-            after the model is saved
         baseDir (str):
             base directory of the model, the model files
             are stored in a subdirectory `{baseDir}/{outDir}/`
-        metaFile (str):
-            absolute path to the metadata file of the model (`{outPrefix}_meta.json`)
         device (cuda device): cuda device
         gpus (int/ list of ints): gpu number(s) to use for model fitting
         patience (int):
@@ -58,25 +52,23 @@ class DNNModel(QSPRModel):
             progress on best validation score
         nClass (int): number of classes
         nDim (int): number of features
-        optimalEpochs (int): number of epochs to train the model for optimal performance
         device (torch.device): cuda device, cpu or gpu
         gpus (list[int]): gpu number(s) to use for model fitting
         patience (int):
             number of epochs to wait before early stop
             if no progress on validation set score
-        optimalEpochs (int):
-            number of epochs to train the model for optimal performance
     """
+
     def __init__(
         self,
         base_dir: str,
         alg: Type = STFullyConnected,
-        data: QSPRDataset | None = None,
         name: str | None = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
         autoload: bool = True,
-        device: torch.device = DEFAULT_DEVICE,
-        gpus: list[int] = DEFAULT_GPUS,
+        device: torch.device = DEFAULT_TORCH_DEVICE,
+        gpus: list[int] = DEFAULT_TORCH_GPUS,
         patience: int = 50,
         tol: float = 0,
     ):
@@ -88,8 +80,6 @@ def __init__(
                 a subdirectory `{baseDir}/{outDir}/`
             alg (Type, optional):
                 model class or instance. Defaults to STFullyConnected.
-            data (QSPRDataset, optional):
-                data set used to train the model. Defaults to None.
             name (str, optional):
                 name of the model. Defaults to None.
             parameters (dict, optional):
@@ -97,9 +87,9 @@ def __init__(
             autoload (bool, optional):
                 whether to load the model from file or not. Defaults to True.
             device (torch.device, optional):
-                The cuda device. Defaults to `DEFAULT_DEVICE`.
+                The cuda device. Defaults to `DEFAULT_TORCH_DEVICE`.
             gpus (list[int], optional):
-                gpu number(s) to use for model fitting. Defaults to `DEFAULT_GPUS`.
+                gpu number(s) to use for model fitting. Defaults to `DEFAULT_TORCH_GPUS`.
             patience (int, optional):
                 number of epochs to wait before early stop if no progress
                 on validation set score. Defaults to 50.
@@ -113,20 +103,39 @@ def __init__(
         self.tol = tol
         self.nClass = None
         self.nDim = None
-        super().__init__(base_dir, alg, data, name, parameters, autoload=autoload)
-        if self.task.isMultiTask():
-            raise NotImplementedError(
-                "Multitask modelling is not implemented for DNNModel models."
-            )
+        super().__init__(
+            base_dir,
+            alg,
+            name,
+            parameters,
+            autoload=autoload,
+            random_state=random_state,
+        )
+
+    def initRandomState(self, random_state):
+        """Set random state if applicable.
+        Defaults to random state of dataset if no random state is provided by the constructor.
+
+        Args:
+            random_state (int): Random state to use for shuffling and other random operations.
+        """
+        super().initRandomState(random_state)
+        if random_state is not None:
+            torch.manual_seed(random_state)
 
     @property
     def supportsEarlyStopping(self) -> bool:
         """Whether the model supports early stopping or not."""
         return True
 
-    @classmethod
-    def getDefaultParamsGrid(cls) -> list[list]:
-        return SSPACE
+    def initFromDataset(self, data: QSPRDataset | None):
+        super().initFromDataset(data)
+        if self.targetProperties[0].task.isRegression():
+            self.nClass = 1
+        elif data is not None:
+            self.nClass = self.targetProperties[0].nClasses
+        if data is not None:
+            self.nDim = data.getFeatures()[0].shape[1]
 
     def loadEstimator(self, params: dict | None = None) -> object:
         """Load model from file or initialize new model.
@@ -137,14 +146,8 @@ def loadEstimator(self, params: dict | None = None) -> object:
         Returns:
             model (object): model instance
         """
-        if self.task.isRegression():
-            self.nClass = 1
-        else:
-            self.nClass = (
-                self.data.targetProperties[0].nClasses
-                if self.data else self.metaInfo["n_class"]
-            )
-        self.nDim = self.data.X.shape[1] if self.data else self.metaInfo["n_dim"]
+        if self.nClass is None or self.nDim is None:
+            return "Uninitialized model."
         # initialize model
         estimator = self.alg(
             n_dim=self.nDim,
@@ -197,49 +200,36 @@ def saveEstimator(self) -> str:
         torch.save(self.estimator.state_dict(), path)
         return path
 
-    def saveParams(self, params: dict) -> str:
-        """Save model parameters to file.
+    def setParams(self, params: dict):
+        """Set parameters of the model.
 
         Args:
-            params (dict): model parameters
-
-        Returns:
-            str: path to the saved parameters as json
-        """
-        return super().saveParams(
-            {
-                k: params[k]
-                for k in params
-                if not k.startswith("_") and k not in ["training", "device", "gpus"]
-            }
-        )
-
-    def save(self) -> str:
-        """Save the DNNModel model and meta information.
-
-        Returns:
-            str: path to the saved model
+            params (dict): parameters
         """
-        self.metaInfo["n_dim"] = self.nDim
-        self.metaInfo["n_class"] = self.nClass
-        return super().save()
+        super().setParams(params)
+        self.estimator = self.loadEstimator(self.parameters)
 
     @early_stopping
     def fit(
         self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        y: pd.DataFrame | np.ndarray | QSPRDataset,
+        X: pd.DataFrame | np.ndarray,
+        y: pd.DataFrame | np.ndarray,
         estimator: Any | None = None,
         mode: EarlyStoppingMode = EarlyStoppingMode.NOT_RECORDING,
+        split: DataSplit | None = None,
+        monitor: FitMonitor | None = None,
         **kwargs,
     ):
         """Fit the model to the given data matrix or `QSPRDataset`.
 
         Args:
-            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit
-            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
+            X (pd.DataFrame, np.ndarray): data matrix to fit
+            y (pd.DataFrame, np.ndarray): target matrix to fit
             estimator (Any): estimator instance to use for fitting
             mode (EarlyStoppingMode): early stopping mode
+            split (DataSplit): data split to use for early stopping,
+                if None, a ShuffleSplit with 10% validation set size is used
+            monitor (FitMonitor): fit monitor instance, if None, a BaseMonitor is used
             kwargs (dict): additional keyword arguments for the estimator's fit method
 
         Returns:
@@ -247,23 +237,43 @@ def fit(
             int, optional: in case of early stopping, the number of iterations
                 after which the model stopped training
         """
+        if self.task.isMultiTask():
+            raise NotImplementedError(
+                "Multitask modelling is not implemented for this model."
+            )
+        monitor = BaseMonitor() if monitor is None else monitor
         estimator = self.estimator if estimator is None else estimator
+        split = split or ShuffleSplit(
+            n_splits=1, test_size=0.1, random_state=self.randomState
+        )
         X, y = self.convertToNumpy(X, y)
-
+        # fit with early stopping
         if self.earlyStopping:
             # split cross validation fold train set into train
             # and validation set for early stopping
-            X_train, X_val, y_train, y_val = train_test_split(X, y, test_size=0.1)
-            return estimator.fit(X_train, y_train, X_val, y_val, **kwargs)
-
+            train_index, val_index = next(split.split(X, y))
+            monitor.onFitStart(
+                self, X[train_index, :], y[train_index], X[val_index, :], y[val_index]
+            )
+            estimator_fit = estimator.fit(
+                X[train_index, :],
+                y[train_index],
+                X[val_index, :],
+                y[val_index],
+                monitor=monitor,
+                **kwargs,
+            )
+            monitor.onFitEnd(estimator_fit[0], estimator_fit[1])
+            return estimator_fit
+        monitor.onFitStart(self, X, y)
         # set fixed number of epochs if early stopping is not used
         estimator.n_epochs = self.earlyStopping.getEpochs()
-        return estimator.fit(X, y, **kwargs)
+        estimator_fit = estimator.fit(X, y, monitor=monitor, **kwargs)
+        monitor.onFitEnd(estimator_fit[0])
+        return estimator_fit
 
     def predict(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> np.ndarray:
         """See `QSPRModel.predict`."""
         estimator = self.estimator if estimator is None else estimator
@@ -275,9 +285,7 @@ def predict(
             return scores[0]
 
     def predictProba(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> np.ndarray:
         """See `QSPRModel.predictProba`."""
         estimator = self.estimator if estimator is None else estimator
diff --git a/qsprpred/extra/gpu/models/neural_network.py b/qsprpred/extra/gpu/models/neural_network.py
index 6f3b4202..9e2fb746 100644
--- a/qsprpred/extra/gpu/models/neural_network.py
+++ b/qsprpred/extra/gpu/models/neural_network.py
@@ -3,7 +3,6 @@
 """
 
 import inspect
-import time
 from collections import defaultdict
 
 import numpy as np
@@ -12,8 +11,9 @@
 from torch.nn import functional as f
 from torch.utils.data import DataLoader, TensorDataset
 
-from ....extra.gpu import DEFAULT_DEVICE, DEFAULT_GPUS
+from ....extra.gpu import DEFAULT_TORCH_DEVICE, DEFAULT_TORCH_GPUS
 from ....logs import logger
+from ....models.monitors import BaseMonitor, FitMonitor
 
 
 class Base(nn.Module):
@@ -40,10 +40,11 @@ class Base(nn.Module):
         gpus (list):
             list of gpus to run the model on
     """
+
     def __init__(
         self,
-        device: torch.device = DEFAULT_DEVICE,
-        gpus: list[int] = DEFAULT_GPUS,
+        device: torch.device = DEFAULT_TORCH_DEVICE,
+        gpus: list[int] = DEFAULT_TORCH_GPUS,
         n_epochs: int = 1000,
         lr: float = 1e-4,
         batch_size: int = 256,
@@ -93,8 +94,7 @@ def fit(
         y_train,
         X_valid=None,
         y_valid=None,
-        log=False,
-        log_prefix=None
+        monitor: FitMonitor | None = None,
     ) -> int:
         """Training the DNN model.
 
@@ -113,15 +113,14 @@ def fit(
             y_valid (np.ndarray or pd.Dataframe):
                 validation target (m X l), m is the No. of samples, l is
                 the No. of classes or tasks
-            log (bool):
-                whether to log the training process to {self.log_prefix}.log
-            log_prefix (str):
-                prefix for the log file if log is True
+            monitor (FitMonitor):
+                monitor to use for training, if None, use base monitor
 
         Returns:
             int:
                 the epoch number when the optimal model is saved
         """
+        monitor = BaseMonitor() if monitor is None else monitor
         train_loader = self.getDataLoader(X_train, y_train)
         valid_loader = None
         # if validation data is provided, use early stopping
@@ -139,16 +138,14 @@ def fit(
         best_loss = np.inf
         best_weights = self.state_dict()
         last_save = 0  # record the epoch when optimal model is saved.
-        log_file = None
-        if log:
-            log_file = open(log_prefix + ".log", "a")
         for epoch in range(self.n_epochs):
-            t0 = time.time()
+            monitor.onEpochStart(epoch)
             loss = None
             # decrease learning rate over the epochs
             for param_group in optimizer.param_groups:
-                param_group["lr"] = self.lr * (1 - 1 / self.n_epochs)**(epoch * 10)
+                param_group["lr"] = self.lr * (1 - 1 / self.n_epochs) ** (epoch * 10)
             for i, (Xb, yb) in enumerate(train_loader):
+                monitor.onBatchStart(i)
                 # Batch of target tenor and label tensor
                 Xb, yb = Xb.to(self.device), yb.to(self.device)
                 optimizer.zero_grad()
@@ -167,49 +164,21 @@ def fit(
                     loss = self.criterion(y_, yb)
                 loss.backward()
                 optimizer.step()
+                monitor.onBatchEnd(i, float(loss))
             if patience == -1:
-                if log:
-                    print(
-                        "[Epoch: %d/%d] %.1fs loss_train: %f" %
-                        (epoch, self.n_epochs, time.time() - t0, loss.item()),
-                        file=log_file,
-                    )
+                monitor.onEpochEnd(epoch, loss.item())
             else:
                 # loss value on validation set based on which optimal model is saved.
                 loss_valid = self.evaluate(valid_loader)
-                if log:
-                    print(
-                        "[Epoch: %d/%d] %.1fs loss_train: %f loss_valid: %f" % (
-                            epoch,
-                            self.n_epochs,
-                            time.time() - t0,
-                            loss.item(),
-                            loss_valid,
-                        ),
-                        file=log_file,
-                    )
                 if loss_valid + self.tol < best_loss:
                     best_weights = self.state_dict()
-                    if log:
-                        print(
-                            "[Performance] loss_valid is improved from %f to %f" %
-                            (best_loss, loss_valid),
-                            file=log_file,
-                        )
                     best_loss = loss_valid
                     last_save = epoch
-                else:
-                    if log:
-                        print(
-                            "[Performance] loss_valid is not improved.", file=log_file
-                        )
-                    if epoch - last_save > patience:  # early stop
-                        break
+                elif epoch - last_save > patience:  # early stop
+                    break
+                monitor.onEpochEnd(epoch, loss.item(), loss_valid)
         if patience == -1:
             best_weights = self.state_dict()
-        if log:
-            print("Neural net fitting completed.", file=log_file)
-            log_file.close()
         self.load_state_dict(best_weights)
         return self, last_save
 
@@ -278,7 +247,8 @@ def _get_param_names(cls) -> list:
         """
         init_signature = inspect.signature(cls.__init__)
         parameters = [
-            p for p in init_signature.parameters.values()
+            p
+            for p in init_signature.parameters.values()
             if p.name != "self" and p.kind != p.VAR_KEYWORD
         ]
         return sorted([p.name for p in parameters])
@@ -342,7 +312,7 @@ def set_params(self, **params) -> "Base":
         return self
 
     def getDataLoader(self, X, y=None):
-        """Convert data to tensors and get iterable over dataset with dataloader.
+        """Convert data to tensors and get generator over dataset with dataloader.
 
         Args:
             X (numpy 2d array): input dataset
@@ -389,20 +359,21 @@ class STFullyConnected(Base):
         fc3 (torch.nn.Module): the fourth fully connected layer
         activation (torch.nn.Module): the activation function
     """
+
     def __init__(
         self,
         n_dim,
         n_class=1,
-        device=DEFAULT_DEVICE,
-        gpus=DEFAULT_GPUS,
-        n_epochs=1000,
+        device=DEFAULT_TORCH_DEVICE,
+        gpus=DEFAULT_TORCH_GPUS,
+        n_epochs=100,
         lr=None,
         batch_size=256,
         patience=50,
         tol=0,
         is_reg=True,
-        neurons_h1=4000,
-        neurons_hx=1000,
+        neurons_h1=256,
+        neurons_hx=128,
         extra_layer=False,
         dropout_frac=0.25,
     ):
diff --git a/qsprpred/extra/gpu/models/pyboost.py b/qsprpred/extra/gpu/models/pyboost.py
index d91e9836..586ae7e7 100644
--- a/qsprpred/extra/gpu/models/pyboost.py
+++ b/qsprpred/extra/gpu/models/pyboost.py
@@ -19,12 +19,14 @@
 import pandas as pd
 from py_boost.gpu.losses import BCELoss, MSELoss
 from py_boost.gpu.losses.metrics import Metric, auc
-from sklearn.model_selection import train_test_split
+from sklearn.model_selection import ShuffleSplit
 
-from ....data.data import QSPRDataset
+from ....data.sampling.splits import DataSplit
+from ....data.tables.qspr import QSPRDataset
 from ....models.early_stopping import EarlyStoppingMode, early_stopping
-from ....models.interfaces import QSPRModel
-from ....models.tasks import ModelTasks
+from ....models.models import QSPRModel
+from ....models.monitors import BaseMonitor, FitMonitor
+from ....tasks import ModelTasks
 
 
 class PyBoostModel(QSPRModel):
@@ -42,18 +44,18 @@ class PyBoostModel(QSPRModel):
     >>> parameters = {'loss':  'mse', 'metric': 'r2_score', 'verbose': -1}
     >>> model = PyBoostModel(
     ...     base_dir='qspr/models/',
-    ...     data=dataset,
     ...     name="PyBoost",
     ...     parameters=parameters
     ... )
     """
+
     def __init__(
         self,
         base_dir: str,
-        data: Optional[QSPRDataset] = None,
         name: Optional[str] = None,
         parameters: Optional[dict] = None,
         autoload=True,
+        random_state: Optional[int] = None,
     ):
         """Initialize a QSPR model instance.
 
@@ -64,38 +66,21 @@ def __init__(
             base_dir (str):
                 base directory of the model,
                 the model files are stored in a subdirectory `{baseDir}/{outDir}/`
-            data (QSPRDataset): data set used to train the model
             name (str): name of the model
             parameters (dict): dictionary of algorithm specific parameters
             autoload (bool):
                 if `True`, the estimator is loaded from the serialized file
                 if it exists, otherwise a new instance of alg is created
+            random_state (int): random state to use for the model
         """
         super().__init__(
             base_dir,
             import_module("py_boost").GradientBoosting,
-            data,
             name,
             parameters,
             autoload,
+            random_state,
         )
-        if self.task == ModelTasks.MULTITASK_MIXED:
-            raise ValueError(
-                "MultiTask with a mix of classification and regression tasks "
-                "is not supported for pyboost that can handle missing data models."
-            )
-        if self.task == ModelTasks.MULTITASK_MULTICLASS:
-            raise NotImplementedError(
-                "Multi-task multi-class is not supported for "
-                "pyboost that can handle missing data models."
-            )
-        if self.task == ModelTasks.MULTITASK_SINGLECLASS:
-            # FIX ME:  PyBoost default auc loss does not handle multitask data
-            # and the custom NaN AUC metric is not JSON serializable.
-            raise NotImplementedError(
-                "Multi-class is not supported for pyboost "
-                "that can handle missing data models."
-            )
 
     @property
     def supportsEarlyStopping(self) -> bool:
@@ -109,25 +94,51 @@ def supportsEarlyStopping(self) -> bool:
     @early_stopping
     def fit(
         self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        y: pd.DataFrame | np.ndarray | QSPRDataset,
+        X: pd.DataFrame | np.ndarray,
+        y: pd.DataFrame | np.ndarray,
         estimator: Optional[Type[import_module("py_boost").GradientBoosting]] = None,
         mode: EarlyStoppingMode = EarlyStoppingMode.NOT_RECORDING,
+        split: DataSplit | None = None,
+        monitor: FitMonitor | None = None,
         **kwargs,
     ) -> import_module("py_boost").GradientBoosting:
         """Fit the model to the given data matrix or `QSPRDataset`.
 
         Args:
-            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit
-            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
+            X (pd.DataFrame, np.ndarray): data matrix to fit
+            y (pd.DataFrame, np.ndarray): target matrix to fit
             estimator (Any): estimator instance to use for fitting
-            early_stopping (bool): if True, early stopping is used
+            mode (EarlyStoppingMode): mode to use for early stopping
+            split (DataSplit): data split to use for early stopping,
+                if None, a ShuffleSplit with 10% validation set size is used
+            monitor (FitMonitor): monitor to use for fitting, if None, a BaseMonitor
             kwargs: additional keyword arguments for the fit function
 
         Returns:
-            (GzipKNNAlgorithm): fitted estimator instance
+            (Pyboost): fitted estimator instance
         """
+        if self.task == ModelTasks.MULTITASK_MIXED:
+            raise ValueError(
+                "MultiTask with a mix of classification and regression tasks "
+                "is not supported for pyboost that can handle missing data models."
+            )
+        if self.task == ModelTasks.MULTITASK_MULTICLASS:
+            raise NotImplementedError(
+                "Multi-task multi-class is not supported for "
+                "pyboost that can handle missing data models."
+            )
+        if self.task == ModelTasks.MULTITASK_SINGLECLASS:
+            # FIX ME:  PyBoost default auc loss does not handle multitask data
+            # and the custom NaN AUC metric is not JSON serializable.
+            raise NotImplementedError(
+                "Multi-class is not supported for pyboost "
+                "that can handle missing data models."
+            )
+        monitor = BaseMonitor() if monitor is None else monitor
         estimator = self.estimator if estimator is None else estimator
+        split = split or ShuffleSplit(
+            n_splits=1, test_size=0.1, random_state=self.randomState
+        )
         X, y = self.convertToNumpy(X, y)
 
         if self.task == ModelTasks.MULTICLASS:
@@ -136,20 +147,31 @@ def fit(
         if self.earlyStopping:
             # split cross validation fold train set into train
             # and validation set for early stopping
-            X_train, X_val, y_train, y_val = train_test_split(X, y, test_size=0.1)
-            estimator.fit(X_train, y_train, eval_sets=[{"X": X_val, "y": y_val}])
-
+            train_index, val_index = next(split.split(X, y))
+            monitor.onFitStart(
+                self,
+                X[train_index, :],
+                y[train_index],
+                X[val_index, :],
+                y[val_index],
+            )
+            estimator.fit(
+                X[train_index, :],
+                y[train_index],
+                eval_sets=[{"X": X[val_index, :], "y": y[val_index]}],
+            )
+            monitor.onFitEnd(estimator, estimator.best_round)
             return estimator, estimator.best_round
 
+        monitor.onFitStart(self, X, y)
         estimator.params.update({"ntrees": self.earlyStopping.getEpochs()})
         estimator.fit(X, y)
 
+        monitor.onFitEnd(estimator)
         return estimator, self.earlyStopping.getEpochs()
 
     def predict(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> np.ndarray:
         """Make predictions for the given data matrix or `QSPRDataset`.
 
@@ -187,9 +209,7 @@ def predict(
             return preds
 
     def predictProba(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> np.ndarray:
         estimator = self.estimator if estimator is None else estimator
         X = self.convertToNumpy(X)
@@ -279,6 +299,7 @@ class MSEwithNaNLoss(MSELoss):
     Masked MSE loss function. Custom loss wrapper for pyboost that can handle
     missing data, as adapted from the tutorials in https://github.com/sb-ai-lab/Py-Boost
     """
+
     def base_score(self, y_true):
         # Replace .mean with nanmean function to calc base score
         return cp.nanmean(y_true, axis=0)
@@ -304,6 +325,7 @@ class BCEWithNaNLoss(BCELoss):
     Masked BCE loss function. Custom loss wrapper for pyboost that can handle missing
     data, as adapted from the tutorials in https://github.com/sb-ai-lab/Py-Boost
     """
+
     def base_score(self, y_true):
         # Replace .mean with nanmean function to calc base score
         means = cp.clip(
@@ -333,14 +355,16 @@ class NaNRMSEScore(Metric):
     Custom metric wrapper for pyboost that can handle missing data,
     as adapted from  the tutorials in https://github.com/sb-ai-lab/Py-Boost
     """
+
     def __call__(self, y_true, y_pred, sample_weight=None):
         mask = ~np.isnan(y_true)
 
         if sample_weight is not None:
-            err = ((y_true - y_pred)[mask]**2 *
-                   sample_weight[mask]).sum(axis=0) / sample_weight[mask].sum()
+            err = ((y_true - y_pred)[mask] ** 2 * sample_weight[mask]).sum(
+                axis=0
+            ) / sample_weight[mask].sum()
         else:
-            err = np.nanmean((np.where(mask, (y_true - y_pred), np.nan)**2), axis=0)
+            err = np.nanmean((np.where(mask, (y_true - y_pred), np.nan) ** 2), axis=0)
 
         return np.average(err, weights=np.count_nonzero(mask, axis=0))
 
@@ -354,16 +378,19 @@ class NaNR2Score(Metric):
     Custom metric wrapper for pyboost that can handle missing data,
     as adapted from  the tutorials in https://github.com/sb-ai-lab/Py-Boost
     """
+
     def __call__(self, y_true, y_pred, sample_weight=None):
         mask = ~np.isnan(y_true)
 
         if sample_weight is not None:
-            err = ((y_true - y_pred)[mask]**2 *
-                   sample_weight[mask]).sum(axis=0) / sample_weight[mask].sum()
-            std = ((y_true[mask] - y_true[mask].mean(axis=0))**2 *
-                   sample_weight[mask]).sum(axis=0) / sample_weight[mask].sum()
+            err = ((y_true - y_pred)[mask] ** 2 * sample_weight[mask]).sum(
+                axis=0
+            ) / sample_weight[mask].sum()
+            std = (
+                (y_true[mask] - y_true[mask].mean(axis=0)) ** 2 * sample_weight[mask]
+            ).sum(axis=0) / sample_weight[mask].sum()
         else:
-            err = np.nanmean((np.where(mask, (y_true - y_pred), np.nan)**2), axis=0)
+            err = np.nanmean((np.where(mask, (y_true - y_pred), np.nan) ** 2), axis=0)
             std = np.nanvar(np.where(mask, y_true, np.nan), axis=0)
 
         return np.average(1 - err / std, weights=np.count_nonzero(mask, axis=0))
@@ -378,6 +405,7 @@ class NaNAucMetric(Metric):
     Custom metric wrapper for pyboost that can handle missing data,
     as adapted from  the tutorials in https://github.com/sb-ai-lab/Py-Boost
     """
+
     def __call__(self, y_true, y_pred, sample_weight=None):
         aucs = []
         mask = ~cp.isnan(y_true)
diff --git a/qsprpred/extra/gpu/models/tests.py b/qsprpred/extra/gpu/models/tests.py
index 9178d19a..3e7b68bf 100644
--- a/qsprpred/extra/gpu/models/tests.py
+++ b/qsprpred/extra/gpu/models/tests.py
@@ -3,26 +3,38 @@
 from typing import Type
 from unittest import TestCase
 
+import chemprop
+import pandas as pd
 import pytest
 import torch
 from parameterized import parameterized
+from sklearn import metrics
 from sklearn.impute import SimpleImputer
+from sklearn.model_selection import ShuffleSplit
 
-from ....data.data import QSPRDataset
-from ....data.utils.datasplitters import RandomSplit
-from ....data.utils.descriptorcalculator import MoleculeDescriptorsCalculator
-from ....data.utils.descriptorsets import SmilesDesc
+from qsprpred.data.descriptors.sets import SmilesDesc
+from qsprpred.data.sampling.splits import RandomSplit
+from qsprpred.tasks import ModelTasks, TargetTasks
 from ....extra.gpu.models.chemprop import ChempropModel
 from ....extra.gpu.models.dnn import DNNModel
 from ....extra.gpu.models.neural_network import STFullyConnected
-from ....models.tasks import ModelTasks, TargetTasks
-from ....models.tests import ModelDataSetsMixIn, ModelTestMixIn
+from ....models import CrossValAssessor
+from ....models.metrics import SklearnMetrics
+from ....models.monitors import BaseMonitor, FileMonitor, ListMonitor
+from ....utils.testing.check_mixins import ModelCheckMixIn, MonitorsCheckMixIn
+from ....utils.testing.path_mixins import ModelDataSetsPathMixIn
 
 GPUS = list(range(torch.cuda.device_count()))
 
 
-class NeuralNet(ModelDataSetsMixIn, ModelTestMixIn, TestCase):
+class NeuralNet(ModelDataSetsPathMixIn, ModelCheckMixIn, TestCase):
     """This class holds the tests for the DNNModel class."""
+
+    def setUp(self):
+        """Set up the test case."""
+        super().setUp()
+        self.setUpPaths()
+
     @property
     def gridFile(self):
         """Return the path to the grid file with test
@@ -30,39 +42,37 @@ def gridFile(self):
         """
         return f"{os.path.dirname(__file__)}/test_files/search_space_test.json"
 
-    @staticmethod
     def getModel(
-        base_dir: str,
+        self,
         name: str,
         alg: Type | None = None,
-        dataset: QSPRDataset = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
     ):
         """Initialize model with data set.
 
         Args:
-            base_dir: Base directory for model.
             name: Name of the model.
             alg: Algorithm to use.
             dataset: Data set to use.
             parameters: Parameters to use.
+            random_state: Random seed to use for random operations.
         """
         return DNNModel(
-            base_dir=base_dir,
+            base_dir=self.generatedModelsPath,
             alg=alg,
-            data=dataset,
             name=name,
             parameters=parameters,
             gpus=GPUS,
             patience=3,
             tol=0.02,
+            random_state=random_state,
         )
 
     @parameterized.expand(
         [
-            (f"{alg_name}_{task}", task, alg_name, alg, th)
+            (f"{alg_name}_{task}", task, alg_name, alg, th, [None])
             for alg, alg_name, task, th in (
-                (STFullyConnected, "STFullyConnected", TargetTasks.REGRESSION, None),
                 (STFullyConnected, "STFullyConnected", TargetTasks.SINGLECLASS, [6.5]),
                 (
                     STFullyConnected,
@@ -72,9 +82,29 @@ def getModel(
                 ),
             )
         ]
+        + [
+            (
+                f"{alg_name}_{task}_{'_'.join(map(str, random_state))}",
+                task,
+                alg_name,
+                alg,
+                th,
+                random_state,
+            )
+            for alg, alg_name, task, th in (
+                (STFullyConnected, "STFullyConnected", TargetTasks.REGRESSION, None),
+            )
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
     )
     def testSingleTaskModel(
-        self, _, task: TargetTasks, alg_name: str, alg: Type, th: float
+        self,
+        _,
+        task: TargetTasks,
+        alg_name: str,
+        alg: Type,
+        th: float,
+        random_state: list[int] | None,
     ):
         """Test the DNNModel model in one configuration.
 
@@ -83,33 +113,55 @@ def testSingleTaskModel(
             alg_name: Name of the algorithm.
             alg: Algorithm to use.
             th: Threshold to use for classification models.
+            random_state: Seed to be used for random operations.
         """
         # initialize dataset
         dataset = self.createLargeTestDataSet(
             name=f"{alg_name}_{task}",
-            target_props=[{
-                "name": "CL",
-                "task": task,
-                "th": th
-            }],
+            target_props=[{"name": "CL", "task": task, "th": th}],
             preparation_settings=self.getDefaultPrep(),
         )
 
         # initialize model for training from class
         alg_name = f"{alg_name}_{task}_th={th}"
         model = self.getModel(
-            base_dir=self.generatedModelsPath,
-            name=f"{alg_name}",
+            name=alg_name,
             alg=alg,
-            dataset=dataset,
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+        predictor = DNNModel(
+            name=alg_name, base_dir=model.baseDir, random_state=random_state[0]
         )
-        self.fitTest(model)
-        predictor = DNNModel(name=alg_name, base_dir=model.baseDir)
-        self.predictorTest(predictor)
+
+        if random_state[0] is not None:
+            model.cleanFiles()
+            model = self.getModel(
+                name=alg_name,
+                alg=alg,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor_new = DNNModel(
+                name=alg_name, base_dir=model.baseDir, random_state=random_state[1]
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=predictor_new,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
 
 
-class ChemProp(ModelDataSetsMixIn, ModelTestMixIn, TestCase):
+class ChemPropTest(ModelDataSetsPathMixIn, ModelCheckMixIn, TestCase):
     """This class holds the tests for the DNNModel class."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     @property
     def gridFile(self):
         """Return the path to the grid file with test
@@ -117,149 +169,295 @@ def gridFile(self):
         """
         return f"{os.path.dirname(__file__)}/test_files/search_space_test.json"
 
-    @staticmethod
     def getModel(
-        base_dir: str,
+        self,
         name: str,
-        dataset: QSPRDataset = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
     ):
         """Initialize model with data set.
 
         Args:
-            base_dir: Base directory for model.
             name: Name of the model.
-            alg: Algorithm to use.
-            dataset: Data set to use.
             parameters: Parameters to use.
+            random_state: Random seed to use for random operations.
         """
         if parameters is None:
             parameters = {}
 
-        parameters["gpu"] = GPUS[0] if len(GPUS) > 0 else None
+        if len(GPUS) > 0:
+            parameters["gpu"] = GPUS[0]
         parameters["epochs"] = 2
         return ChempropModel(
-            base_dir=base_dir, data=dataset, name=name, parameters=parameters
+            base_dir=self.generatedModelsPath,
+            name=name,
+            parameters=parameters,
+            random_state=random_state,
         )
 
     @parameterized.expand(
         [
-            (f"{alg_name}_{task}", task, alg_name, th) for alg_name, task, th in (
-                ("MoleculeModel", TargetTasks.REGRESSION, None),
+            (f"{alg_name}_{task}", task, alg_name, th, [None])
+            for alg_name, task, th in (
                 ("MoleculeModel", TargetTasks.SINGLECLASS, [6.5]),
                 ("MoleculeModel", TargetTasks.MULTICLASS, [0, 1, 10, 1100]),
             )
         ]
+        + [
+            (
+                f"{alg_name}_{task}_{'_'.join(map(str, random_state))}",
+                task,
+                alg_name,
+                th,
+                random_state,
+            )
+            for alg_name, task, th in (("MoleculeModel", TargetTasks.REGRESSION, None),)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
     )
-    def testSingleTaskModel(self, _, task: TargetTasks, alg_name: str, th: float):
+    def testSingleTaskModel(
+        self,
+        _,
+        task: TargetTasks,
+        alg_name: str,
+        th: float,
+        random_state: list[int | None],
+    ):
         """Test the DNNModel model in one configuration.
 
         Args:
             task: Task to test.
             alg_name: Name of the algorithm.
-            alg: Algorithm to use.
             th: Threshold to use for classification models.
+            random_state: Seed to be used for random operations.
         """
         # initialize dataset
         dataset = self.createLargeTestDataSet(
             name=f"{alg_name}_{task}",
-            target_props=[{
-                "name": "CL",
-                "task": task,
-                "th": th
-            }],
+            target_props=[{"name": "CL", "task": task, "th": th}],
             preparation_settings=None,
         )
         dataset.prepareDataset(
-            feature_calculators=[
-                MoleculeDescriptorsCalculator(desc_sets=[SmilesDesc()])
-            ],
-            split=RandomSplit(test_fraction=0.1),
+            feature_calculators=[SmilesDesc()],
+            split=RandomSplit(test_fraction=0.1, dataset=dataset),
         )
         # initialize model for training from class
         alg_name = f"{alg_name}_{task}_th={th}"
         model = self.getModel(
-            base_dir=self.generatedModelsPath, name=f"{alg_name}", dataset=dataset
+            name=f"{alg_name}",
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = ChempropModel(name=alg_name, base_dir=model.baseDir)
-        self.predictorTest(predictor)
+        self.predictorTest(predictor, dataset=dataset)
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=alg_name,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            new_predictor = ChempropModel(name=alg_name, base_dir=model.baseDir)
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
 
     @parameterized.expand(
         [
-            (f"{alg_name}_{task}", task, alg_name) for alg_name, task in (
-                ("MoleculeModel", ModelTasks.MULTITASK_REGRESSION),
-                ("MoleculeModel", ModelTasks.MULTITASK_SINGLECLASS),
+            (f"{alg_name}_{task}", task, alg_name, [None])
+            for alg_name, task in (("MoleculeModel", ModelTasks.MULTITASK_REGRESSION),)
+        ]
+        + [
+            (
+                f"{alg_name}_{task}_{'_'.join(map(str, random_state))}",
+                task,
+                alg_name,
+                random_state,
             )
+            for alg_name, task in (("MoleculeModel", ModelTasks.MULTITASK_SINGLECLASS),)
+            for random_state in ([None], [1, 42], [42, 42])
         ]
     )
-    def testMultiTaskmodel(self, _, task: TargetTasks, alg_name: str):
+    def testMultiTaskmodel(
+        self, _, task: TargetTasks, alg_name: str, random_state: list[int | None]
+    ):
         """Test the DNNModel model in one configuration.
 
         Args:
             task: Task to test.
             alg_name: Name of the algorithm.
-            alg: Algorithm to use.
-            th: Threshold to use for classification models.
         """
         if task == ModelTasks.MULTITASK_REGRESSION:
             target_props = [
-                {
-                    "name": "fu",
-                    "task": TargetTasks.SINGLECLASS,
-                    "th": [0.3]
-                },
-                {
-                    "name": "CL",
-                    "task": TargetTasks.SINGLECLASS,
-                    "th": [6.5]
-                },
+                {"name": "fu", "task": TargetTasks.SINGLECLASS, "th": [0.3]},
+                {"name": "CL", "task": TargetTasks.SINGLECLASS, "th": [6.5]},
             ]
         else:
             target_props = [
                 {
                     "name": "fu",
                     "task": TargetTasks.SINGLECLASS,
-                    "th": [0.3]
+                    "th": [0.3],
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
                 {
                     "name": "CL",
                     "task": TargetTasks.SINGLECLASS,
-                    "th": [6.5]
+                    "th": [6.5],
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
             ]
         # initialize dataset
         dataset = self.createLargeTestDataSet(
             name=f"{alg_name}_{task}",
             target_props=target_props,
-            target_imputer=SimpleImputer(strategy="mean"),
             preparation_settings=None,
         )
         dataset.prepareDataset(
-            feature_calculators=[
-                MoleculeDescriptorsCalculator(desc_sets=[SmilesDesc()])
-            ],
-            split=RandomSplit(test_fraction=0.1),
+            feature_calculators=[SmilesDesc()],
+            split=RandomSplit(test_fraction=0.1, dataset=dataset),
         )
         # initialize model for training from class
         alg_name = f"{alg_name}_{task}"
         model = self.getModel(
-            base_dir=self.generatedModelsPath, name=f"{alg_name}", dataset=dataset
+            name=alg_name,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = ChempropModel(name=alg_name, base_dir=model.baseDir)
-        self.predictorTest(predictor)
+        self.predictorTest(predictor, dataset=dataset)
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=alg_name,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            new_predictor = ChempropModel(name=alg_name, base_dir=model.baseDir)
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
+
+    def testConsistency(self):
+        """Test if QSPRpred Chemprop and Chemprop models are consistent."""
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            name="consistency_data",
+            target_props=[{"name": "CL", "task": TargetTasks.REGRESSION}],
+            preparation_settings=None,
+        )
+        dataset.prepareDataset(
+            feature_calculators=[SmilesDesc()],
+            split=RandomSplit(test_fraction=0.1, seed=dataset.randomState),
+        )
+        # initialize model for training from class
+        model = self.getModel(name="consistency_data")
+
+        # chemprop by default uses sklearn rmse (squared=False) as metric
+        rmse = metrics.make_scorer(
+            metrics.root_mean_squared_error, greater_is_better=False
+        )
+
+        # Run 1 fold of bootstrap cross validation (default cross validation in chemprop is bootstrap)
+        assessor = CrossValAssessor(
+            scoring=SklearnMetrics(rmse),
+            split=ShuffleSplit(
+                n_splits=1, test_size=0.1, random_state=dataset.randomState
+            ),
+        )
+        qsprpred_score = assessor(
+            model,
+            dataset,
+            split=RandomSplit(test_fraction=0.1, seed=dataset.randomState),
+        )
+        qsprpred_score = -qsprpred_score[0]  # qsprpred_score is negative rmse
+
+        # save the cross-validation train, test and validation split to
+        # compare with true Chemprop model from the base monitor
+        df_train = pd.DataFrame(
+            assessor.monitor.fits[0]["fitData"]["X_train"], columns=["SMILES"]
+        )
+        df_train["pchembl_value_Mean"] = assessor.monitor.fits[0]["fitData"]["y_train"]
+        df_train.to_csv(
+            f"{self.generatedModelsPath}/consistency_data_train.csv", index=False
+        )
+
+        df_val = pd.DataFrame(
+            assessor.monitor.fits[0]["fitData"]["X_val"], columns=["SMILES"]
+        )
+        df_val["pchembl_value_Mean"] = assessor.monitor.fits[0]["fitData"]["y_val"]
+        df_val.to_csv(
+            f"{self.generatedModelsPath}/consistency_data_val.csv", index=False
+        )
+
+        df_test = pd.DataFrame(assessor.monitor.foldData[0]["X_test"])
+        df_test.rename(columns={"Descriptor_SmilesDesc_SMILES": "SMILES"}, inplace=True)
+        df_test["pchembl_value_Mean"] = assessor.monitor.foldData[0]["y_test"]
+        df_test.to_csv(
+            f"{self.generatedModelsPath}/consistency_data_test.csv", index=False
+        )
+
+        # run chemprop with the same data and parameters
+        arguments = [
+            "--data_path",
+            f"{self.generatedModelsPath}/consistency_data_train.csv",
+            "--separate_val_path",
+            f"{self.generatedModelsPath}/consistency_data_val.csv",
+            "--separate_test_path",
+            f"{self.generatedModelsPath}/consistency_data_test.csv",
+            "--dataset_type",
+            "regression",
+            "--save_dir",
+            self.generatedModelsPath,
+            "--epochs",
+            "2",
+            "--seed",
+            str(model.randomState),
+            "--pytorch_seed",
+            str(model.randomState),
+        ]
+
+        if len(GPUS) > 0:
+            arguments.extend(["--gpu", str(GPUS[0])])
+
+        args = chemprop.args.TrainArgs().parse_args(arguments)
+        chemprop_score, _ = chemprop.train.cross_validate(
+            args=args, train_func=chemprop.train.run_training
+        )
+
+        # compare the scores
+        print(f"QSPRpred score: {qsprpred_score}")
+        print(f"Chemprop score: {chemprop_score}")
+        self.assertAlmostEqual(qsprpred_score, chemprop_score, places=5)
 
 
 @pytest.mark.skipif((spec := util.find_spec("cupy")) is None, reason="requires cupy")
-class TestPyBoostModel(ModelDataSetsMixIn, ModelTestMixIn, TestCase):
+class TestPyBoostModel(ModelDataSetsPathMixIn, ModelCheckMixIn, TestCase):
     """This class holds the tests for the PyBoostModel class."""
-    @staticmethod
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     def getModel(
-        base_dir: str,
+        self,
         name: str,
-        dataset: QSPRDataset = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
     ):
         """Create a PyBoostModel model.
 
@@ -267,6 +465,7 @@ def getModel(
             name (str): the name of the model
             dataset (QSPRDataset, optional): the dataset to use. Defaults to None.
             parameters (dict, optional): the parameters to use. Defaults to None.
+            random_state (int, optional): the random state to use. Defaults to None.
 
         Returns:
             PyBoostModel the model
@@ -276,18 +475,26 @@ def getModel(
         parameters["ntrees"] = 10
 
         return import_module("..pyboost", __name__).PyBoostModel(
-            base_dir=base_dir,
-            data=dataset,
+            base_dir=self.generatedModelsPath,
             name=name,
             parameters=parameters,
+            random_state=random_state,
         )
 
     @parameterized.expand(
         [
-            ("PyBoost", TargetTasks.REGRESSION, "PyBoost", params) for params in [
+            (
+                f"PyBoost_{'_'.join(map(str, random_state))}",
+                TargetTasks.REGRESSION,
+                "PyBoost",
+                params,
+                random_state,
+            )
+            for params in [
                 {
                     "loss": "mse",
                     "metric": "r2_score",
+                    "colsample": 0.5,  # introduce more randomness in the model
                 },
                 # {
                 #     "loss": import_module("..custom_loss", __name__).MSEwithNaNLoss(),
@@ -302,43 +509,57 @@ def getModel(
                 #     "metric":import_module("..custom_metrics",__name__).NaNRMSEScore()
                 # },
             ]
+            for random_state in ([None], [1, 42], [42, 42])
         ]
     )
-    def testRegressionPyBoostFit(self, _, task, model_name, parameters):
+    def testRegressionPyBoostFit(self, _, task, model_name, parameters, random_state):
         """Test model training for regression models."""
         parameters["verbose"] = -1
         # initialize dataset
         dataset = self.createLargeTestDataSet(
-            target_props=[{
-                "name": "CL",
-                "task": task
-            }],
+            target_props=[{"name": "CL", "task": task}],
             preparation_settings=self.getDefaultPrep(),
         )
         # initialize model for training from class
         model = self.getModel(
-            base_dir=self.generatedModelsPath,
             name=f"{model_name}_{task}",
-            dataset=dataset,
             parameters=parameters,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = import_module("..pyboost", __name__).PyBoostModel(
             name=f"{model_name}_{task}", base_dir=model.baseDir
         )
-        self.predictorTest(predictor)
+        self.predictorTest(predictor, dataset=dataset)
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_{task}",
+                dataset=dataset,
+                parameters=parameters,
+                random_state=random_state[1],
+            )
+            self.fitTest(model)
+            new_predictor = import_module("..pyboost", __name__).PyBoostModel(
+                name=f"{model_name}_{task}", base_dir=model.baseDir
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
 
     @parameterized.expand(
         [
             (f"{'PyBoost'}_{task}", task, th, "PyBoost", params)
             for params, task, th in (
-                ({
-                    "loss": "bce",
-                    "metric": "auc"
-                }, TargetTasks.SINGLECLASS, [6.5]),
-                ({
-                    "loss": "crossentropy"
-                }, TargetTasks.MULTICLASS, [0, 1, 10, 1100]),
+                ({"loss": "bce", "metric": "auc"}, TargetTasks.SINGLECLASS, [6.5]),
+                ({"loss": "crossentropy"}, TargetTasks.MULTICLASS, [0, 1, 10, 1100]),
             )
         ]
     )
@@ -347,11 +568,7 @@ def testClassificationPyBoostFit(self, _, task, th, model_name, parameters):
         parameters["verbose"] = -1
         # initialize dataset
         dataset = self.createLargeTestDataSet(
-            target_props=[{
-                "name": "CL",
-                "task": task,
-                "th": th
-            }],
+            target_props=[{"name": "CL", "task": task, "th": th}],
             preparation_settings=self.getDefaultPrep(),
         )
         # test classifier
@@ -359,22 +576,19 @@ def testClassificationPyBoostFit(self, _, task, th, model_name, parameters):
         model = self.getModel(
             base_dir=self.generatedModelsPath,
             name=f"{model_name}_{task}",
-            dataset=dataset,
             parameters=parameters,
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = import_module("..pyboost", __name__).PyBoostModel(
             name=f"{model_name}_{task}", base_dir=model.baseDir
         )
-        self.predictorTest(predictor)
+        self.predictorTest(predictor, dataset=dataset)
 
     @parameterized.expand(
         [
-            ("PyBoost", "PyBoost", params) for params in [
-                {
-                    "loss": "mse",
-                    "metric": "r2_score"
-                },
+            ("PyBoost", "PyBoost", params)
+            for params in [
+                {"loss": "mse", "metric": "r2_score"},
                 # {
                 #     "loss": import_module("..custom_loss", __name__).MSEwithNaNLoss(),
                 #     "metric": "r2_score"
@@ -394,29 +608,28 @@ def testRegressionMultiTaskFit(self, _, model_name, parameters):
             target_props=[
                 {
                     "name": "fu",
-                    "task": TargetTasks.REGRESSION
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
                 {
                     "name": "CL",
-                    "task": TargetTasks.REGRESSION
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
             ],
-            target_imputer=SimpleImputer(strategy="mean"),
             preparation_settings=self.getDefaultPrep(),
         )
         # test classifier
         # initialize model for training from class
         model = self.getModel(
-            base_dir=self.generatedModelsPath,
             name=f"{model_name}_multitask_regression",
-            dataset=dataset,
             parameters=parameters,
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = import_module("..pyboost", __name__).PyBoostModel(
-            name=f"{model_name}_multitask_regression", base_dir=model.baseDir
+            name=f"{model_name}_multitask_regression",
         )
-        self.predictorTest(predictor)
+        self.predictorTest(predictor, dataset=dataset)
 
     # FIXME: This test fails because the PyBoost default auc does not handle
     # mutlitask data and the custom NaN AUC metric is not JSON serializable.
@@ -457,7 +670,6 @@ def testRegressionMultiTaskFit(self, _, model_name, parameters):
     #                 "th": [6.5]
     #             },
     #         ],
-    #         target_imputer=SimpleImputer(strategy="mean"),
     #         preparation_settings=self.getDefaultPrep(),
     #     )
     #     # test classifier
@@ -465,11 +677,78 @@ def testRegressionMultiTaskFit(self, _, model_name, parameters):
     #     model = self.getModel(
     #         base_dir=self.generatedModelsPath,
     #         name=f"{model_name}_multitask_classification",
-    #         dataset=dataset,
     #         parameters=parameters,
     #     )
-    #     self.fitTest(model)
+    #     self.fitTest(model, dataset)
     #     predictor = import_module("..pyboost", __name__).PyBoostModel(
     #         name=f"{model_name}_multitask_classification", base_dir=model.baseDir
     #     )
     #     self.predictorTest(predictor)
+
+
+class TestNNMonitoring(MonitorsCheckMixIn, TestCase):
+    """This class holds the tests for the monitoring classes."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @property
+    def gridFile(self):
+        """Return the path to the grid file with test
+        search spaces for hyperparameter optimization.
+        """
+        return f"{os.path.dirname(__file__)}/test_files/search_space_test.json"
+
+    def testBaseMonitor(self):
+        model = DNNModel(
+            base_dir=self.generatedModelsPath,
+            name="STFullyConnected",
+            gpus=GPUS,
+            patience=3,
+            tol=0.02,
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            BaseMonitor,
+            self.baseMonitorTest,
+            True,
+        )
+
+    def testFileMonitor(self):
+        model = DNNModel(
+            base_dir=self.generatedModelsPath,
+            name="STFullyConnected",
+            gpus=GPUS,
+            patience=3,
+            tol=0.02,
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            BaseMonitor,
+            self.baseMonitorTest,
+            True,
+        )
+
+    def testListMonitor(self):
+        """Test the list monitor"""
+        model = DNNModel(
+            base_dir=self.generatedModelsPath,
+            name="STFullyConnected",
+            gpus=GPUS,
+            patience=3,
+            tol=0.02,
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            ListMonitor,
+            self.listMonitorTest,
+            True,
+            [BaseMonitor(), FileMonitor()],
+        )
diff --git a/qsprpred/extra/models/models.py b/qsprpred/extra/models/models.py
deleted file mode 100644
index e69de29b..00000000
diff --git a/qsprpred/extra/models/pcm.py b/qsprpred/extra/models/pcm.py
index 2d53beb5..7abfd59f 100644
--- a/qsprpred/extra/models/pcm.py
+++ b/qsprpred/extra/models/pcm.py
@@ -7,11 +7,13 @@
 
 import numpy as np
 
-from ...data.data import MoleculeTable
-from ...models.interfaces import QSPRModel
-from ...models.sklearn import SklearnModel
-from ..data.data import PCMDataSet
-from ..data.utils.descriptorcalculator import ProteinDescriptorCalculator
+from qsprpred.extra.data.tables.pcm import PCMDataSet
+from ..data.descriptors.sets import ProteinDescriptorSet
+from ...data.tables.mol import MoleculeTable
+from ...models.models import QSPRModel
+from ...models.scikit_learn import SklearnModel
+from rdkit import Chem
+from rdkit.Chem import Mol
 
 
 class PCMModel(QSPRModel, ABC):
@@ -20,6 +22,7 @@ class PCMModel(QSPRModel, ABC):
     Extension of `QSPRModel` for proteochemometric models (PCM). It modifies
     the `predictMols` method to handle PCM descriptors and specification of protein ids.
     """
+
     def createPredictionDatasetFromMols(
         self,
         mols: list[str],
@@ -48,14 +51,18 @@ def createPredictionDatasetFromMols(
             PCMDataSet:
                 Dataset with the features calculated for the molecules.
         """
+        # make a molecule table first and add the target properties
+        if isinstance(mols[0], Mol):
+            mols = [Chem.MolToSmiles(mol) for mol in mols]
         dataset = MoleculeTable.fromSMILES(
             f"{self.__class__.__name__}_{hash(self)}",
             mols,
             drop_invalids=False,
             n_jobs=n_jobs,
         )
-        for targetproperty in self.targetProperties:
-            dataset.addProperty(targetproperty.name, np.nan)
+        for target_property in self.targetProperties:
+            target_property.imputer = None
+            dataset.addProperty(target_property.name, np.nan)
         dataset.addProperty("protein_id", protein_id)
         # convert to PCMDataSet
         dataset = PCMDataSet.fromMolTable(
@@ -119,18 +126,20 @@ def predictMols(
         is_pcm = False
         protein_ids = set()
         for calc in self.featureCalculators:
-            if isinstance(calc, ProteinDescriptorCalculator):
+            if isinstance(calc, ProteinDescriptorSet):
                 is_pcm = True
-                if not protein_ids:
+                if not protein_ids and hasattr(calc, "msaProvider"):
                     protein_ids = set(calc.msaProvider.current.keys())
-                else:
+                if protein_ids and hasattr(calc, "msaProvider"):
                     assert protein_ids == set(calc.msaProvider.current.keys()), (
                         "All protein descriptor calculators "
                         "must have the same protein ids."
                     )
             if (
-                isinstance(calc, ProteinDescriptorCalculator) and calc.msaProvider and
-                protein_id not in calc.msaProvider.current.keys()
+                isinstance(calc, ProteinDescriptorSet)
+                and hasattr(calc, "msaProvider")
+                and calc.msaProvider
+                and protein_id not in calc.msaProvider.current.keys()
             ):
                 raise ValueError(
                     f"Protein id {protein_id} not found in the available MSA, "
diff --git a/qsprpred/extra/models/random.py b/qsprpred/extra/models/random.py
new file mode 100644
index 00000000..82980ff7
--- /dev/null
+++ b/qsprpred/extra/models/random.py
@@ -0,0 +1,292 @@
+import json
+import os
+from abc import ABC, abstractmethod
+from typing import Any, Optional, Type
+
+import numpy as np
+import pandas as pd
+import scipy as sp
+
+from qsprpred.models.early_stopping import EarlyStoppingMode
+from qsprpred.models.monitors import FitMonitor
+from ...data.tables.qspr import QSPRDataset
+from ...models.models import QSPRModel
+
+
+class RandomDistributionAlgorithm(ABC):
+    @abstractmethod
+    def __call__(self, X_test: np.ndarray):
+        pass
+
+    @abstractmethod
+    def fit(self, y_df: pd.DataFrame):
+        pass
+
+    @abstractmethod
+    def get_probas(self, X_test: np.ndarray):
+        pass
+
+    @abstractmethod
+    def from_dict(self, loaded_dict):
+        pass
+
+    @abstractmethod
+    def to_dict(self):
+        pass
+
+
+class RatioDistributionAlgorithm(RandomDistributionAlgorithm):
+    """
+    Categorical distribution using ratio of categories as probabilities
+    Values of X are irrelevant, only distribution of y is used
+    """
+    def __init__(self, random_state=None):
+        self.ratios = None
+        self.random_state = random_state
+
+    def __call__(self, X_test: np.ndarray):
+        rng = np.random.default_rng(seed=self.random_state)
+        y_list = [rng.choice(len(self.ratios.values), len(X_test), p=[r[col] for r in self.ratios.values]) for col in range(len(self.ratios.values[0]))]
+        y = np.column_stack(y_list)
+        if y.ndim == 1:
+            y = y.reshape(-1, 1)
+
+        return y
+
+    def get_probas(self, X_test: np.ndarray):
+        y_list = [np.array([[r[col] for r in self.ratios.values] for _ in range(len(X_test))]) for col in range(len(self.ratios.values[0]))]
+        return y_list
+
+    def fit(self, y_df: pd.DataFrame):
+        self.ratios = pd.DataFrame.from_dict({col: y_df[col].value_counts() / y_df.shape[0] for col in list(y_df)})
+
+    def from_dict(self, loaded_dict):
+        self.ratios = pd.DataFrame(json.loads(loaded_dict["ratios"])) if loaded_dict[
+                                                "ratios"] is not None else None
+
+    def to_dict(self):
+        param_dictionary = {"parameters": {},
+                "ratios": self.ratios.to_json() if self.ratios is not None else None,
+                }
+        return param_dictionary
+
+
+class MedianDistributionAlgorithm(RandomDistributionAlgorithm):
+    def __init__(self):
+        self.median = None
+
+    def __call__(self, X_test: np.ndarray):
+        y_list = [np.full(len(X_test), self.median.values[col]) for col in range(len(self.median))]
+        y = np.column_stack(y_list)
+        if y.ndim == 1:
+            y = y.reshape(-1, 1)
+
+        return y
+
+    def get_probas(self, X_test: np.ndarray):
+        raise Exception("No probas supported for this algorithm.")
+
+    def fit(self, y_df: pd.DataFrame):
+        self.median = y_df.median()
+
+    def from_dict(self, loaded_dict):
+        self.median = pd.DataFrame({"median": json.loads(loaded_dict["median"])}) if loaded_dict[
+                                                "median"] is not None else None
+
+    def to_dict(self):
+        param_dictionary = {"parameters": {},
+                "median": self.median.to_json() if self.median is not None else None,
+                }
+        return param_dictionary
+
+
+class ScipyDistributionAlgorithm(RandomDistributionAlgorithm):
+    def __init__(self, distribution: sp.stats.rv_continuous=sp.stats.norm, params={}, random_state=None):
+        self.fitted_parameters = None
+        self.distribution = distribution
+        self.params = params
+        self.random_state = random_state
+
+    def __call__(self, X_test: np.ndarray):
+        y_list = [self.distribution.rvs(*(tuple(self.fitted_parameters.values.T[col])), size=len(X_test), random_state=self.random_state) for col in range(len(self.fitted_parameters.values.T))]
+        y = np.column_stack(y_list)
+        if y.ndim == 1:
+            y = y.reshape(-1, 1)
+
+        return y
+
+    def get_probas(self, X_test: np.ndarray):
+        raise Exception("No probas supported for this algorithm.")
+
+    def fit(self, y_df: pd.DataFrame):
+        self.fitted_parameters = pd.DataFrame.from_dict({col: self.distribution.fit(y_df[col], *self.params) for col in list(y_df)})
+
+    def from_dict(self, loaded_dict):
+        self.fitted_parameters = pd.DataFrame(json.loads(loaded_dict["fitted_parameters"])) if loaded_dict[
+                                                "fitted_parameters"] is not None else None
+
+    def to_dict(self):
+        param_dictionary = {"parameters": {},
+                "fitted_parameters": self.fitted_parameters.to_json() if self.fitted_parameters is not None else None,
+                }
+        return param_dictionary
+
+
+class RandomModel(QSPRModel):
+    def __init__(
+        self,
+        base_dir: str,
+        alg: RandomDistributionAlgorithm,
+        name: Optional[str] = None,
+        parameters: Optional[dict] = None,
+        autoload=True,
+        random_state: int | None = None
+    ):
+        """Initialize a QSPR model instance.
+
+        If the model is loaded from file, the data set is not required.
+        Note that the data set is required for fitting and optimization.
+
+        Args:
+            base_dir (str):
+                base directory of the model,
+                the model files are stored in a subdirectory `{baseDir}/{outDir}/`
+            name (str): name of the model
+            parameters (dict): dictionary of algorithm specific parameters
+            autoload (bool):
+                if `True`, the estimator is loaded from the serialized file
+                if it exists, otherwise a new instance of alg is created
+        """
+        super().__init__(base_dir, alg, name, parameters, autoload, random_state=random_state)
+
+    @property
+    def supportsEarlyStopping(self) -> bool:
+        """Check if the model supports early stopping.
+        
+        Returns:
+            (bool): whether the model supports early stopping or not
+        """
+        return False
+    
+    def fit(
+            self,
+            X: pd.DataFrame | np.ndarray | QSPRDataset,
+            y: pd.DataFrame | np.ndarray | QSPRDataset,
+            estimator: Type[RandomDistributionAlgorithm] = None,
+            mode: EarlyStoppingMode = None,
+            monitor: FitMonitor | None = None,
+            **kwargs
+    ) -> RandomDistributionAlgorithm:
+        """Fit the model to the given data matrix or `QSPRDataset`.
+
+        Args:
+            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit
+            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
+            estimator (Any): estimator instance to use for fitting
+            mode (EarlyStoppingMode): early stopping mode, unused
+            monitor (FitMonitor): monitor instance to track the fitting process, unused
+            kwargs: additional keyword arguments for the fit function
+
+        Returns:
+            (RandomDistributionAlgorithm): fitted estimator instance
+        """
+        estimator = self.estimator if estimator is None else estimator
+        if isinstance(y, pd.DataFrame):
+            y_df = y
+        elif isinstance(y, np.ndarray):
+            y_df = pd.DataFrame(y)
+        else:
+            y_df = y.df
+
+        estimator.fit(y_df)
+
+        return estimator
+    
+    def predict(
+            self,
+            X: pd.DataFrame | np.ndarray | QSPRDataset,
+            estimator: Any = None
+    ) -> np.ndarray:
+        """Make predictions for the given data matrix or `QSPRDataset`.
+
+        Args:
+            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to predict
+            estimator (Any): estimator instance to use for fitting
+
+        Returns:
+            np.ndarray:
+                2D array containing the predictions, where each row corresponds
+                to a sample in the data and each column to a target property
+        """
+        estimator = self.estimator if estimator is None else estimator
+        return estimator(X)
+
+    def predictProba(
+            self,
+            X: pd.DataFrame | np.ndarray | QSPRDataset,
+            estimator: Any = None
+    ):
+        estimator = self.estimator if estimator is None else estimator
+        return estimator.get_probas(X)
+    
+    def loadEstimator(self, params: Optional[dict] = None) -> object:
+        """Initialize estimator instance with the given parameters.
+
+        If `params` is `None`, the default parameters will be used.
+
+        Arguments:
+            params (dict): algorithm parameters
+
+        Returns:
+            object: initialized estimator instance
+        """
+        new_parameters = self.getParameters(
+            params)  # combine self.parameters and params
+        if new_parameters is not None:
+            return self.alg(**new_parameters)
+        else:
+            return self.alg()
+        
+    def loadEstimatorFromFile(self, params: Optional[dict] = None,
+                              fallback_load=True) -> object:
+        """Load estimator instance from file and apply the given parameters.
+
+        Args:
+            params (dict): algorithm parameters
+
+        Returns:
+            object: initialized estimator instance
+        """
+        path = f"{self.outPrefix}.json"
+        if os.path.isfile(path):
+            with open(path, "r") as f:
+                loaded_dict = json.load(f)
+                loaded_params = loaded_dict["parameters"]
+            if params is not None:
+                loaded_params.update(params)
+
+            estimator = self.loadEstimator(loaded_params)
+            estimator.from_dict(loaded_dict)
+            return estimator
+
+        elif fallback_load:
+            return self.loadEstimator(params)
+
+        else:
+            raise FileNotFoundError(
+                f"No estimator found at {path}, loading estimator from file failed."
+            )
+
+    def saveEstimator(self) -> str:
+        """Save the underlying estimator to file.
+
+        Returns:
+            path (str): path to the saved estimator
+        """
+        estimator_path = f"{self.outPrefix}.json"
+
+        param_dictionary = self.estimator.to_dict()
+        with open(estimator_path, "w") as outfile:
+            json.dump(param_dictionary, outfile)
+
+        return estimator_path
\ No newline at end of file
diff --git a/qsprpred/extra/models/tests.py b/qsprpred/extra/models/tests.py
index d64c0e5d..412e56fa 100644
--- a/qsprpred/extra/models/tests.py
+++ b/qsprpred/extra/models/tests.py
@@ -4,44 +4,48 @@
 """
 
 from typing import Type
-from unittest import TestCase
 
 from parameterized import parameterized
 from sklearn.cross_decomposition import PLSRegression
-from sklearn.ensemble import RandomForestClassifier
-from sklearn.svm import SVR
+from sklearn.impute import SimpleImputer
 from xgboost import XGBClassifier, XGBRegressor
 
-from ...data.data import TargetProperty
-from ...models.tasks import TargetTasks
-from ...models.tests import N_CPUS, ModelDataSetsMixIn, ModelTestMixIn
-from ..data.data import PCMDataSet
-from ..data.tests import DataSetsMixInExtras
-from ..data.utils.descriptor_utils.msa_calculator import ClustalMSA
-from ..data.utils.descriptorcalculator import ProteinDescriptorCalculator
-from ..data.utils.descriptorsets import ProDec
+from qsprpred.extra.data.descriptors.sets import ProDec
+from qsprpred.tasks import TargetProperty, TargetTasks
+from .random import ScipyDistributionAlgorithm, RandomModel, RatioDistributionAlgorithm, \
+    MedianDistributionAlgorithm
+from ..data.utils.testing.path_mixins import DataSetsMixInExtras
 from ..models.pcm import SklearnPCMModel
+from ...utils.testing.base import QSPRTestCase
+from ...utils.testing.check_mixins import ModelCheckMixIn
+from ...utils.testing.path_mixins import ModelDataSetsPathMixIn
 
 
-class ModelDataSetsMixInExtras(ModelDataSetsMixIn, DataSetsMixInExtras):
+class ModelDataSetsMixInExtras(ModelDataSetsPathMixIn, DataSetsMixInExtras):
     """This class holds the tests for testing models in extras."""
 
 
-class TestPCM(ModelDataSetsMixInExtras, ModelTestMixIn, TestCase):
+class TestPCM(ModelDataSetsMixInExtras, ModelCheckMixIn, QSPRTestCase):
+    """Test class for testing PCM models."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     def getModel(
         self,
         name: str,
         alg: Type | None = None,
-        dataset: PCMDataSet | None = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
     ):
         """Initialize dataset and model.
 
         Args:
             name (str): Name of the model.
             alg (Type | None): Algorithm class.
-            dataset (PCMDataSet | None): Dataset to use.
             parameters (dict | None): Parameters to use.
+            random_state (int | None): Random seed to use.
 
         Returns:
             SklearnPCMModel: Initialized model.
@@ -49,27 +53,34 @@ def getModel(
         return SklearnPCMModel(
             base_dir=self.generatedModelsPath,
             alg=alg,
-            data=dataset,
             name=name,
             parameters=parameters,
+            random_state=random_state,
         )
 
     @parameterized.expand(
         [
             (
                 alg_name,
-                [{
-                    "name": "pchembl_value_Median",
-                    "task": TargetTasks.REGRESSION
-                }],
+                [{"name": "pchembl_value_Median", "task": TargetTasks.REGRESSION}],
+                alg_name,
+                alg,
+                random_state,
+            )
+            for alg, alg_name in ((XGBRegressor, "XGBR"),)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+        + [
+            (
+                alg_name,
+                [{"name": "pchembl_value_Median", "task": TargetTasks.REGRESSION}],
                 alg_name,
                 alg,
-            ) for alg, alg_name in (
-                (PLSRegression, "PLSR"),
-                (SVR, "SVR"),
-                (XGBRegressor, "XGBR"),
+                [None],
             )
-        ] + [
+            for alg, alg_name in ((PLSRegression, "PLSR"),)
+        ]
+        + [
             (
                 alg_name,
                 [
@@ -81,14 +92,19 @@ def getModel(
                 ],
                 alg_name,
                 alg,
-            ) for alg, alg_name in (
-                (RandomForestClassifier, "RFC"),
-                (XGBClassifier, "XGBC"),
+                random_state,
             )
+            for alg, alg_name in ((XGBClassifier, "XGBC"),)
+            for random_state in ([None], [1, 42], [42, 42])
         ]
     )
     def testRegressionBasicFitPCM(
-        self, _, props: list[TargetProperty | dict], model_name: str, model_class: Type
+        self,
+        _,
+        props: list[TargetProperty | dict],
+        model_name: str,
+        model_class: Type,
+        random_state: list[int | None],
     ):
         """Test model training for regression models.
 
@@ -100,31 +116,310 @@ def testRegressionBasicFitPCM(
 
         """
         if model_name not in ["SVR", "PLSR"]:
-            parameters = {"n_jobs": N_CPUS}
+            parameters = {"n_jobs": self.nCPU}
         else:
             parameters = None
+
         # initialize dataset
         prep = self.getDefaultPrep()
         prep["feature_calculators"] = prep["feature_calculators"] + [
-            ProteinDescriptorCalculator(
-                desc_sets=[ProDec(sets=["Sneath"])],
-                msa_provider=ClustalMSA(self.generatedDataPath),
-            )
+            ProDec(["Sneath"], self.getMSAProvider(self.generatedDataPath))
         ]
         dataset = self.createPCMDataSet(
             name=f"{model_name}_{props[0]['task']}_pcm",
             target_props=props,
             preparation_settings=prep,
+            random_state=random_state[0],
         )
         # initialize model for training from class
         model = self.getModel(
             name=f"{model_name}_{props[0]['task']}",
             alg=model_class,
-            dataset=dataset,
             parameters=parameters,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
         predictor = SklearnPCMModel(
             name=f"{model_name}_{props[0]['task']}", base_dir=model.baseDir
         )
-        self.predictorTest(predictor, protein_id=dataset.getDF()["accession"].iloc[0])
+
+        for protein_id in sorted(set(dataset.getProperty(dataset.proteinCol))):
+            subset = dataset.searchOnProperty(
+                dataset.proteinCol, [protein_id], exact=True
+            )
+            if random_state[0] is not None:
+                model = self.getModel(
+                    name=f"{model_name}_{props[0]['task']}",
+                    alg=model_class,
+                    parameters=parameters,
+                    random_state=random_state[1],
+                )
+                self.fitTest(model, dataset)
+                predictor_new = SklearnPCMModel(
+                    name=f"{model_name}_{props[0]['task']}", base_dir=model.baseDir
+                )
+                self.predictorTest(
+                    predictor,
+                    subset,
+                    comparison_model=predictor_new,
+                    protein_id=protein_id,
+                    expect_equal_result=random_state[0] == random_state[1],
+                )
+            else:
+                self.predictorTest(
+                    predictor,
+                    subset,
+                    protein_id=protein_id,
+                )
+
+
+class RandomBaseModelTestCase(ModelDataSetsMixInExtras, ModelCheckMixIn, QSPRTestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def getModel(
+        self,
+        name: str,
+        alg: ScipyDistributionAlgorithm | RatioDistributionAlgorithm = ScipyDistributionAlgorithm,
+        parameters: dict | None = None,
+        random_state: int | None = None,
+    ):
+        """Initialize dataset and model.
+
+        Args:
+            name (str): Name of the model.
+            alg (Type | None): Algorithm class.
+            parameters (dict | None): Parameters to use.
+            random_state (int | None): Random seed to use.
+
+        Returns:
+            RandomModel: Initialized model.
+        """
+        return RandomModel(
+            base_dir=self.generatedModelsPath,
+            name=name,
+            alg=alg,
+            parameters=parameters,
+            random_state=random_state,
+        )
+
+
+class TestRandomModelRegression(RandomBaseModelTestCase):
+    """Test the RandomModel class for regression models."""
+
+    @parameterized.expand(
+        [
+            ("RandomModel", TargetTasks.REGRESSION, random_state)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+    )
+    def testRegressionBasicFit(self, model_name, task, random_state):
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            target_props=[{"name": "CL", "task": task}],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        # initialize model for training from class
+        model = self.getModel(
+            name=f"{model_name}_{task}",
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+        predictor = RandomModel(name=f"{model_name}_{task}", base_dir=model.baseDir, alg=MedianDistributionAlgorithm)
+        # pred_use_probas, pred_not_use_probas = self.predictorTest(predictor, dataset)
+        self.predictorTest(predictor, dataset)
+
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_{task}",
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor = RandomModel(
+                name=f"{model_name}_{task}", base_dir=model.baseDir, alg=MedianDistributionAlgorithm
+            )
+            self.predictorTest(
+                predictor,
+                dataset,
+                expect_equal_result=random_state[0] == random_state[1],
+                # expected_pred_use_probas=pred_use_probas,
+                # expected_pred_not_use_probas=pred_not_use_probas,
+            )
+
+    @parameterized.expand(
+        [
+            ("RandomModel", random_state)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+    )
+    def testRegressionMultiTaskFit(self, model_name, random_state: list[int | None]):
+        """Test model training for multitask regression models."""
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            target_props=[
+                {
+                    "name": "fu",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+                {
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+            ],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        # test classifier
+        # initialize model for training from class
+        model = self.getModel(
+            name=f"{model_name}_multitask_regression",
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+        predictor = RandomModel(
+            name=f"{model_name}_multitask_regression", base_dir=model.baseDir, alg=MedianDistributionAlgorithm
+        )
+        # pred_use_probas, pred_not_use_probas = self.predictorTest(predictor, dataset)
+        self.predictorTest(predictor, dataset)
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_multitask_regression",
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor = RandomModel(
+                name=f"{model_name}_multitask_regression", base_dir=model.baseDir, alg=MedianDistributionAlgorithm
+            )
+            self.predictorTest(
+                predictor,
+                dataset,
+                expect_equal_result=random_state[0] == random_state[1],
+                # expected_pred_use_probas=pred_use_probas,
+                # expected_pred_not_use_probas=pred_not_use_probas,
+            )
+
+
+class TestRandomModelClassification(RandomBaseModelTestCase):
+    """Test the RandomModel class for regression models."""
+    @parameterized.expand(
+        [
+            (f"{alg_name}_{task}", task, th, alg_name, alg, random_state)
+            for alg, alg_name in (
+                (RatioDistributionAlgorithm, "RandomModel"),
+            )
+            for task, th in (
+                (TargetTasks.SINGLECLASS, [6.5]),
+                (TargetTasks.MULTICLASS, [0, 2, 10, 1100]),
+            )
+            for random_state in ([None], [42, 42])
+        ]
+    )
+    def testClassificationBasicFit(
+        self, _, task, th, model_name, model_class, random_state
+    ):
+        """Test model training for classification models."""
+        parameters = None
+
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            target_props=[{"name": "CL", "task": task, "th": th}],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        # test classifier
+        # initialize model for training from class
+        model = self.getModel(
+            name=f"{model_name}_{task}",
+            alg=model_class,
+            parameters=parameters,
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+        predictor = RandomModel(name=f"{model_name}_{task}", base_dir=model.baseDir, alg=RatioDistributionAlgorithm)
+        # pred_use_probas, pred_not_use_probas = self.predictorTest(predictor, dataset)
+        self.predictorTest(predictor, dataset)
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_{task}",
+                alg=model_class,
+                parameters=parameters,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor = RandomModel(
+                name=f"{model_name}_{task}", base_dir=model.baseDir, alg=RatioDistributionAlgorithm
+            )
+            self.predictorTest(
+                predictor,
+                dataset,
+                expect_equal_result=random_state[0] == random_state[1],
+                # expected_pred_use_probas=pred_use_probas,
+                # expected_pred_not_use_probas=pred_not_use_probas,
+            )
+
+
+class TestRandomModelClassificationMultiTask(RandomBaseModelTestCase):
+    """Test the SklearnModel class for multi-task classification models."""
+
+    @parameterized.expand(
+        [
+            (alg_name, alg_name, alg, random_state)
+            for alg, alg_name in ((RatioDistributionAlgorithm, "RandomModel"),)
+            for random_state in ([None], [42, 42])
+        ]
+    )
+    def testClassificationMultiTaskFit(self, _, model_name, model_class, random_state):
+        """Test model training for multitask classification models."""
+        parameters = {}
+
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            target_props=[
+                {
+                    "name": "fu",
+                    "task": TargetTasks.SINGLECLASS,
+                    "th": [0.3],
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+                {
+                    "name": "CL",
+                    "task": TargetTasks.SINGLECLASS,
+                    "th": [6.5],
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+            ],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        # test classifier
+        # initialize model for training from class
+        model = self.getModel(
+            name=f"{model_name}_multitask_classification",
+            alg=model_class,
+            parameters=parameters,
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+        predictor = RandomModel(
+            name=f"{model_name}_multitask_classification", base_dir=model.baseDir, alg=RatioDistributionAlgorithm
+        )
+        # pred_use_probas, pred_not_use_probas = self.predictorTest(predictor, dataset)
+        self.predictorTest(predictor, dataset)
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_multitask_classification",
+                alg=model_class,
+                parameters=parameters,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor = RandomModel(
+                name=f"{model_name}_multitask_classification", base_dir=model.baseDir, alg=RatioDistributionAlgorithm
+            )
+            self.predictorTest(
+                predictor,
+                dataset,
+                expect_equal_result=random_state[0] == random_state[1],
+                # expected_pred_use_probas=pred_use_probas,
+                # expected_pred_not_use_probas=pred_not_use_probas,
+            )
diff --git a/qsprpred/logs/__init__.py b/qsprpred/logs/__init__.py
index 639d677e..2f266021 100644
--- a/qsprpred/logs/__init__.py
+++ b/qsprpred/logs/__init__.py
@@ -1,11 +1,24 @@
 import logging
+import os
 import sys
 
-logger = None
+verbose = os.environ.get("QSPRPRED_VERBOSE_LOGGING", "false").lower() == "true"
 
+logger = None
 if not logger:
     logger = logging.getLogger("qsprpred")
-    logger.setLevel(logging.INFO)
+    logger.setLevel(logging.WARNING)
+    sh = logging.StreamHandler()
+    sh.setLevel(logging.DEBUG)
+    if verbose:
+        formatter = logging.Formatter(
+            "%(name)s - %(levelname)s - %(pathname)s:%(lineno)d - %(message)s"
+        )
+        sh.setFormatter(formatter)
+    else:
+        formatter = logging.Formatter("%(name)s - %(levelname)s - %(message)s")
+        sh.setFormatter(formatter)
+    logger.addHandler(sh)
 
 
 def setLogger(log):
diff --git a/qsprpred/logs/config.py b/qsprpred/logs/config.py
index 446e1158..692460c7 100644
--- a/qsprpred/logs/config.py
+++ b/qsprpred/logs/config.py
@@ -58,7 +58,7 @@ def config_logger(log_file_path, debug=None, disable_existing_loggers=True):
     """
     debug_path = os.path.join(os.path.dirname(log_file_path), "debug.log")
     simple_format = "%(message)s"
-    verbose_format = "[%(asctime)s] %(levelname)s [%(filename)s %(name)s %(funcName)s (%(lineno)d)]: %(message)s"  # noqa: E501
+    verbose_format = "[%(asctime)s] %(levelname)s [%(filename)s %(name)s %(funcName)s (%(lineno)d)]: %(message)s"
 
     LOGGING_CONFIG = {
         "version": 1,
diff --git a/qsprpred/logs/utils.py b/qsprpred/logs/utils.py
index f4ed4088..d1e1accd 100644
--- a/qsprpred/logs/utils.py
+++ b/qsprpred/logs/utils.py
@@ -89,7 +89,7 @@ def generate_backup_runID(path="."):
     if previous:
         runid = max(previous) + 1
 
-    # backup_files = sorted([ _file for _file in os.listdir(path) if _file.startswith('#')]) # noqa: E501
+    # backup_files = sorted([ _file for _file in os.listdir(path) if _file.startswith('#')])
     # if len(backup_files) == 0 :
     #     runid = 0
     # else :
diff --git a/qsprpred/metrics/__init__.py b/qsprpred/metrics/__init__.py
deleted file mode 100644
index 957d2250..00000000
--- a/qsprpred/metrics/__init__.py
+++ /dev/null
@@ -1 +0,0 @@
-from .calibration import calibration_error  # noqa: F401
diff --git a/qsprpred/metrics/calibration.py b/qsprpred/metrics/calibration.py
deleted file mode 100644
index ec73f4e9..00000000
--- a/qsprpred/metrics/calibration.py
+++ /dev/null
@@ -1,80 +0,0 @@
-"""  Calibration error metrics.  """
-
-import numpy as np
-
-
-def calibration_error(
-    y_true: np.array, y_prob: np.array, n_bins: int = 10, norm: str = "L1"
-) -> float:
-    """Compute the calibration error of a classifier.
-
-    ECE is defined as the expected difference between the predicted probability
-    and the observed frequency in each bin. The lower the ECE, the more
-    calibrated the classifier is.
-
-    If `y_prob` is 1d, it assumes that probablities correspond to the positive class of
-    a binary classification. If `y_prob` is 2d, it assumes each column corresponds to a
-    class and that the classes are in the columns in ascending order.
-
-    If `norm` is 'L1', the expected calibration error is returned (ECE).
-    If `norm` is 'L2', the root-mean-square calibration error is returned (RMSCE).
-    If `norm` is 'infinity', the maximum calibration error is returned (MCE).
-
-    Referece: Guo et al. (2017) On Calibration of Modern Neural Networks. https://arxiv.org/abs/1706.04599
-
-    Args:
-        y_true (np.array): True class labels. 1d array.
-        y_prob (np.array): Raw probability/score of the positive class
-            or multiclass probability. 1d or 2d array.
-        n_bins (int): Number of bins to use for calibration.
-            A bigger bin number requires more data. Defaults to 10.
-        norm (str): The norm to use for the calibration error.
-            Can be 'L1' or 'L2' or 'infinity'. Defaults to 'L1'.
-
-    Returns:
-        float: The calibration error.
-    """
-    y_true = np.array(y_true)
-    y_prob = np.array(y_prob)
-    # If `y_prob` is 1d, convert it to 2d by adding
-    # a new axis corresponding to the negative class
-    if y_prob.ndim == 1:
-        y_prob_0 = 1 - y_prob
-        y_prob = np.stack([y_prob_0, y_prob], axis=1)
-    # Get the highest probability and the predicted class
-    y_prob_max = np.max(y_prob, axis=1)
-    y_pred_class = np.argmax(y_prob, axis=1)
-    # Sort data based on the highest probability
-    sorted_indices = np.argsort(y_prob_max)
-    sorted_y_true = y_true[sorted_indices]
-    sorted_y_prob_max = y_prob_max[sorted_indices]
-    sorted_y_pred_class = y_pred_class[sorted_indices]
-    # Bin sorted data
-    binned_y_true = np.array_split(sorted_y_true, n_bins)
-    binned_y_prob_max = np.array_split(sorted_y_prob_max, n_bins)
-    binned_y_pred_class = np.array_split(sorted_y_pred_class, n_bins)
-    # Compute the calibration error by iterating over the bins
-    calibration_error = 0.0
-    for bin_y_true, bin_y_prob_max, bin_y_pred_class in zip(
-        binned_y_true, binned_y_prob_max, binned_y_pred_class
-    ):
-        # Compute the accuracy and the mean probability for the bin
-        mean_prob = np.mean(bin_y_prob_max)
-        accuracy = np.mean(bin_y_true == bin_y_pred_class)
-        # Compute the calibration error for the bin based on the norm
-        if norm == "L1":
-            calibration_error += (
-                np.abs(mean_prob - accuracy) * len(bin_y_true) / len(y_true)
-            )
-        elif norm == "L2":
-            calibration_error += (
-                np.square(mean_prob - accuracy)**2 * len(bin_y_true) / len(y_true)
-            )
-        elif norm == "infinity":
-            calibration_error = max(calibration_error, np.abs(mean_prob - accuracy))
-        else:
-            raise ValueError(f"Unknown norm {norm}")
-    if norm == "L2":
-        calibration_error = np.sqrt(calibration_error)
-
-    return calibration_error
diff --git a/qsprpred/model_CLI.py b/qsprpred/model_CLI.py
index 9afa26f1..f785dfcb 100644
--- a/qsprpred/model_CLI.py
+++ b/qsprpred/model_CLI.py
@@ -2,13 +2,9 @@
 
 import argparse
 import json
-import os
 import os.path
-import random
 import sys
-from copy import deepcopy
 from datetime import datetime
-from importlib.util import find_spec
 
 import numpy as np
 import optuna
@@ -19,15 +15,14 @@
 from sklearn.svm import SVC, SVR
 from xgboost import XGBClassifier, XGBRegressor
 
-from .data.data import QSPRDataset
+from qsprpred.data.tables.qspr import QSPRDataset
+from qsprpred.models.assessment.methods import CrossValAssessor, TestSetAssessor
+from qsprpred.tasks import TargetTasks
 from .extra.gpu.models.dnn import DNNModel
 from .logs.utils import backup_files, enable_file_logger
-from .models.assessment_methods import CrossValAssessor, TestSetAssessor
 from .models.early_stopping import EarlyStoppingMode
 from .models.hyperparam_optimization import GridSearchOptimization, OptunaOptimization
-from .models.metrics import SklearnMetric
-from .models.sklearn import QSPRModel, SklearnModel
-from .models.tasks import TargetTasks
+from .models.scikit_learn import QSPRModel, SklearnModel
 
 
 def QSPRArgParser(txt=None):
@@ -134,8 +129,7 @@ def QSPRArgParser(txt=None):
         "--optimization",
         type=str,
         default=None,
-        help=
-        "Hyperparameter optimization, if 'None' no optimization, if 'grid' gridsearch, \
+        help="Hyperparameter optimization, if 'None' no optimization, if 'grid' gridsearch, \
                             if 'bayes' bayesian optimization",
     )
     parser.add_argument(
@@ -145,8 +139,7 @@ def QSPRArgParser(txt=None):
         default=None,
         help=(
             "search_space hyperparameter optimization json file location "
-            "(./my_search_space.json). If None, default "
-            "qsprpred.models.search_space.json used."
+            "(./my_search_space.json)."
         ),
     )
     parser.add_argument(
@@ -205,16 +198,10 @@ def QSPR_modelling(args):
                 args.model_types,
             )
         else:
-            # Get default search space
-            model_types = deepcopy(args.model_types)
-            if "DNN" in args.model_types:
-                dnn_grid_params = DNNModel.loadParamsGrid(
-                    None, args.optimization, "DNN"
-                )
-                model_types.remove("DNN")
-            grid_params = QSPRModel.loadParamsGrid(None, args.optimization, model_types)
-            if "DNN" in args.model_types:
-                grid_params = np.concatenate((grid_params, dnn_grid_params))
+            log.error(
+                "Please specify a search_space file for hyperparameter optimization."
+            )
+            sys.exit()
 
     for dataset in args.datasets:
         log.info(f"Dataset: {dataset.name}")
@@ -271,10 +258,13 @@ def QSPR_modelling(args):
                     parameters["class_weight"] = class_weight
                 counts = dataset.y.value_counts()
                 scale_pos_weight = (
-                    counts[0] / counts[1] if (
-                        args.sample_weighing and len(tasks) == 1 and
-                        not tasks[0].isMultiClass()
-                    ) else 1
+                    counts[0] / counts[1]
+                    if (
+                        args.sample_weighing
+                        and len(tasks) == 1
+                        and not tasks[0].isMultiClass()
+                    )
+                    else 1
                 )
                 if alg_dict[model_type] == XGBClassifier:
                     parameters["scale_pos_weight"] = scale_pos_weight
@@ -291,38 +281,44 @@ def QSPR_modelling(args):
 
             # Create QSPR model object
             model_name = (
-                f"{model_type}_{dataset.name}" if not args.model_suffix else
-                f"{model_type}_{dataset.name}_{args.model_suffix}"
+                f"{model_type}_{dataset.name}"
+                if not args.model_suffix
+                else f"{model_type}_{dataset.name}_{args.model_suffix}"
             )
             if model_type == "DNN":
-                QSPRmodel = DNNModel(
+                qspr_model = DNNModel(
                     base_dir=f"{args.output_dir}",
-                    data=dataset,
                     parameters=parameters,
                     name=model_name,
                     gpus=args.gpus,
                     patience=args.patience,
                     tol=args.tolerance,
+                    random_state=args.random_state,
                 )
             else:
-                QSPRmodel = SklearnModel(
+                qspr_model = SklearnModel(
                     base_dir=f"{args.output_dir}",
-                    data=dataset,
                     alg=alg_dict[model_type],
                     name=model_name,
                     parameters=parameters,
+                    random_state=args.random_state,
                 )
 
             # if desired run parameter optimization
-            score_func = SklearnMetric.getDefaultMetric(QSPRmodel.task)
+            score_func = (
+                "r2"
+                if dataset.targetProperties[0].task.isRegression()
+                else "roc_auc_ovr"
+            )
+            best_params = None
             if args.optimization == "grid":
                 search_space_gs = grid_params[grid_params[:, 0] == model_type, 1][0]
                 log.info(search_space_gs)
                 gridsearcher = GridSearchOptimization(
-                    scoring=score_func, param_grid=search_space_gs
+                    model_assessor=CrossValAssessor(scoring=score_func),
+                    param_grid=search_space_gs,
                 )
-                best_params = gridsearcher.optimize(QSPRmodel)
-                QSPRmodel.saveParams(best_params)
+                best_params = gridsearcher.optimize(qspr_model, dataset)
             elif args.optimization == "bayes":
                 search_space_bs = grid_params[grid_params[:, 0] == model_type, 1][0]
                 log.info(search_space_bs)
@@ -333,28 +329,30 @@ def QSPR_modelling(args):
                         )
                     else:
                         search_space_bs.update(
-                            {
-                                "criterion":
-                                    ["categorical", ["squared_error", "poisson"]]
-                            }
+                            {"criterion": ["categorical", ["squared_error", "poisson"]]}
                         )
                 elif model_type == "RF":
                     search_space_bs.update(
                         {"criterion": ["categorical", ["gini", "entropy"]]}
                     )
                 bayesoptimizer = OptunaOptimization(
-                    scoring=score_func,
+                    model_assessor=CrossValAssessor(scoring=score_func),
                     param_grid=search_space_bs,
                     n_trials=args.n_trials,
                     n_jobs=args.n_jobs,
                 )
-                best_params = bayesoptimizer.optimize(QSPRmodel)
-
-            # initialize models from saved or default parameters
+                best_params = bayesoptimizer.optimize(qspr_model, dataset)
+            if best_params is not None:
+                qspr_model.setParams(best_params)
 
             if args.model_evaluation:
-                CrossValAssessor(mode=EarlyStoppingMode.RECORDING)(QSPRmodel)
-                TestSetAssessor(mode=EarlyStoppingMode.NOT_RECORDING)(QSPRmodel)
+                CrossValAssessor(mode=EarlyStoppingMode.RECORDING, scoring=score_func)(
+                    qspr_model,
+                    dataset,
+                )
+                TestSetAssessor(
+                    mode=EarlyStoppingMode.NOT_RECORDING, scoring=score_func
+                )(qspr_model, dataset)
 
             if args.save_model:
                 if (model_type == "DNN") and not (args.model_evaluation):
@@ -363,21 +361,12 @@ def QSPR_modelling(args):
                         "for determining optimal number of epochs to stop training."
                     )
                 else:
-                    QSPRmodel.fitAttached()
+                    qspr_model.fitDataset(dataset)
 
 
 if __name__ == "__main__":
     args = QSPRArgParser()
 
-    # Set random seeds
-    random.seed(args.random_state)
-    np.random.seed(args.random_state)
-    if find_spec("torch") is not None:
-        import torch
-
-        torch.manual_seed(args.random_state)
-    os.environ["TF_DETERMINISTIC_OPS"] = str(args.random_state)
-
     # Backup files
     datasets = [QSPRDataset.fromFile(data_file) for data_file in args.data_paths]
     file_prefixes = [
diff --git a/qsprpred/models/__init__.py b/qsprpred/models/__init__.py
index b0cab14d..812c8d58 100644
--- a/qsprpred/models/__init__.py
+++ b/qsprpred/models/__init__.py
@@ -1,4 +1,23 @@
-import pkg_resources
+from qsprpred.models.assessment.methods import (
+    CrossValAssessor,
+    TestSetAssessor,
+    ModelAssessor,
+)
+from .early_stopping import EarlyStoppingMode
+from .hyperparam_optimization import (
+    OptunaOptimization,
+    GridSearchOptimization,
+    HyperparameterOptimization,
+)
+from .metrics import SklearnMetrics
+from .models import QSPRModel
 
-# set default search space path
-SSPACE = pkg_resources.resource_filename("qsprpred", "models/search_space.json")
+from .monitors import (
+    BaseMonitor,
+    FitMonitor,
+    AssessorMonitor,
+    HyperparameterOptimizationMonitor,
+    FileMonitor,
+    WandBMonitor,
+)
+from .scikit_learn import SklearnModel
diff --git a/qsprpred/models/assessment/__init__.py b/qsprpred/models/assessment/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/models/assessment/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/models/assessment/classification.py b/qsprpred/models/assessment/classification.py
new file mode 100644
index 00000000..05b9f74a
--- /dev/null
+++ b/qsprpred/models/assessment/classification.py
@@ -0,0 +1,53 @@
+import pandas as pd
+from sklearn.metrics import (
+    f1_score,
+    matthews_corrcoef,
+    precision_score,
+    recall_score,
+    accuracy_score,
+)
+
+
+def create_metrics_summary(model):
+    decision_threshold: float = 0.5
+    metrics = [
+        f1_score,
+        matthews_corrcoef,
+        precision_score,
+        recall_score,
+        accuracy_score,
+    ]
+    summary = {"Metric": [], "Model": [], "TestSet": [], "Value": []}
+    property_name = model.targetProperties[0].name
+
+    cv_path = f"{model.outPrefix}.cv.tsv"
+    ind_path = f"{model.outPrefix}.ind.tsv"
+
+    df = pd.read_table(cv_path)
+
+    # cross-validation
+    for fold in sorted(df.Fold.unique()):
+        y_pred = df[f"{property_name}_ProbabilityClass_1"][df.Fold == fold]
+        y_pred_values = [1 if x > decision_threshold else 0 for x in y_pred]
+        y_true = df[f"{property_name}_Label"][df.Fold == fold]
+        for metric in metrics:
+            val = metric(y_true, y_pred_values)
+            summary["Metric"].append(metric.__name__)
+            summary["Model"].append(model.name)
+            summary["TestSet"].append(f"CV{fold + 1}")
+            summary["Value"].append(val)
+
+    # independent test set
+    df = pd.read_table(ind_path)
+    y_pred = df[f"{property_name}_ProbabilityClass_1"]
+    th = 0.5
+    y_pred_values = [1 if x > th else 0 for x in y_pred]
+    y_true = df[f"{property_name}_Label"]
+    for metric in metrics:
+        val = metric(y_true, y_pred_values)
+        summary["Metric"].append(metric.__name__)
+        summary["Model"].append(model.name)
+        summary["TestSet"].append("IND")
+        summary["Value"].append(val)
+
+    return summary
diff --git a/qsprpred/models/assessment/methods.py b/qsprpred/models/assessment/methods.py
new file mode 100644
index 00000000..fa705df5
--- /dev/null
+++ b/qsprpred/models/assessment/methods.py
@@ -0,0 +1,363 @@
+"""This module holds assessment methods for QSPRModels"""
+
+from abc import ABC, abstractmethod
+from datetime import datetime
+from typing import Callable, Iterable
+
+import numpy as np
+import pandas as pd
+from sklearn.model_selection import KFold
+
+from qsprpred.data import QSPRDataset
+from qsprpred.data.sampling.splits import DataSplit
+from qsprpred.logs import logger
+from qsprpred.models.early_stopping import EarlyStoppingMode
+from qsprpred.models.metrics import SklearnMetrics
+from qsprpred.models.models import QSPRModel
+from qsprpred.models.monitors import AssessorMonitor, BaseMonitor
+
+
+class ModelAssessor(ABC):
+    """Base class for assessment methods.
+
+    Attributes:
+        scoreFunc (Metric): scoring function to use, should match the output of the
+                        evaluation method (e.g. if the evaluation methods returns
+                        class probabilities, the scoring function support class
+                        probabilities)
+        monitor (AssessorMonitor): monitor to use for assessment, if None, a BaseMonitor
+            is used
+        useProba (bool): use probabilities for classification models
+        mode (EarlyStoppingMode): early stopping mode for fitting
+        splitMultitaskScores (bool): whether to split the scores per task for multitask models
+    """
+
+    def __init__(
+        self,
+        scoring: str | Callable[[Iterable, Iterable], float],
+        monitor: AssessorMonitor | None = None,
+        use_proba: bool = True,
+        mode: EarlyStoppingMode | None = None,
+        split_multitask_scores: bool = False,
+    ):
+        """Initialize the evaluation method class.
+
+        Args:
+            scoring: str | Callable[[Iterable, Iterable], float],
+            monitor (AssessorMonitor): monitor to track the evaluation
+            use_proba (bool): use probabilities for classification models
+            mode (EarlyStoppingMode): early stopping mode for fitting
+            split_multitask_scores (bool): whether to split the scores per task for multitask models
+        """
+        self.monitor = monitor
+        self.useProba = use_proba
+        self.mode = mode
+        self.scoreFunc = (
+            SklearnMetrics(scoring) if isinstance(scoring, str) else scoring
+        )
+        self.splitMultitaskScores = split_multitask_scores
+
+    @abstractmethod
+    def __call__(
+        self,
+        model: QSPRModel,
+        ds: QSPRDataset,
+        save: bool = True,
+        parameters: dict | None = None,
+        monitor: AssessorMonitor | None = None,
+        **kwargs,
+    ) -> np.ndarray:
+        """Evaluate the model.
+
+        Args:
+            model (QSPRModel): model to evaluate
+            ds (QSPRDataset): dataset to evaluate on
+            save (bool): save predictions to file
+            parameters (dict): parameters to use for the evaluation
+            monitor (AssessorMonitor): monitor to track the evaluation, overrides
+                                       the monitor set in the constructor
+            kwargs: additional arguments for fit function of the model
+
+        Returns:
+            np.ndarray: scores for the model. If splitMultitaskScores is True, each
+            column represents a task and each row a fold. Otherwise, a 1D array is
+            returned with the scores for each fold.
+        """
+
+    def predictionsToDataFrame(
+        self,
+        model: QSPRModel,
+        y: np.array,
+        predictions: np.ndarray | list[np.ndarray],
+        index: pd.Series,
+        extra_columns: dict[str, np.ndarray] | None = None,
+    ) -> pd.DataFrame:
+        """Create a dataframe with true values and predictions.
+
+        Args:
+            model (QSPRModel): model to evaluate
+            y (np.array): target values
+            predictions (np.ndarray | list[np.ndarray]): predictions
+            index (pd.Series): index of the data set
+            extra_columns (dict[str, np.ndarray]): extra columns to add to the output
+        """
+        # Create dataframe with true values
+        df_out = pd.DataFrame(
+            y.values, columns=y.add_suffix("_Label").columns, index=index
+        )
+        # Add predictions to dataframe
+        for idx, prop in enumerate(model.targetProperties):
+            if prop.task.isClassification() and self.useProba:
+                # convert one-hot encoded predictions to class labels
+                # and add to train and test
+                df_out[f"{prop.name}_Prediction"] = np.argmax(predictions[idx], axis=1)
+                # add probability columns to train and test set
+                df_out = pd.concat(
+                    [
+                        df_out,
+                        pd.DataFrame(predictions[idx], index=index).add_prefix(
+                            f"{prop.name}_ProbabilityClass_"
+                        ),
+                    ],
+                    axis=1,
+                )
+            else:
+                df_out[f"{prop.name}_Prediction"] = predictions[:, idx]
+        # Add extra columns to dataframe if given (such as fold indexes)
+        if extra_columns is not None:
+            for col_name, col_values in extra_columns.items():
+                df_out[col_name] = col_values
+        return df_out
+
+
+class CrossValAssessor(ModelAssessor):
+    """Perform cross validation on a model.
+
+    Attributes:
+        useProba (bool): use predictProba instead of predict for classification
+        monitor (AssessorMonitor): monitor to use for assessment, if None, a BaseMonitor
+            is used
+        mode (EarlyStoppingMode): mode to use for early stopping
+        split (DataSplit): split to use for cross validation (default: KFold, n_splits=5)
+        round (int): number of decimal places to round predictions to (default: 5)
+        splitMultitaskScores (bool): whether to split the scores per task for multitask models
+    """
+
+    def __init__(
+        self,
+        scoring: str | Callable[[Iterable, Iterable], float],
+        split: DataSplit | None = None,
+        monitor: AssessorMonitor | None = None,
+        use_proba: bool = True,
+        mode: EarlyStoppingMode | None = None,
+        round: int = 5,
+        split_multitask_scores: bool = False,
+    ):
+        super().__init__(scoring, monitor, use_proba, mode, split_multitask_scores)
+        self.split = split
+        if monitor is None:
+            self.monitor = BaseMonitor()
+        self.round = round
+
+    def __call__(
+        self,
+        model: QSPRModel,
+        ds: QSPRDataset,
+        save: bool = True,
+        parameters: dict | None = None,
+        monitor: AssessorMonitor | None = None,
+        **kwargs,
+    ) -> np.ndarray:
+        """Perform cross validation on the model with the given parameters.
+
+        Arguments:
+            model (QSPRModel): model to assess
+            ds (QSPRDataset): dataset to assess on
+            scoring (str | Callable): scoring function to use
+            save (bool): whether to save predictions to file
+            parameters (dict): optional model parameters to use in assessment
+            monitor (AssessorMonitor): optional, overrides monitor set in constructor
+            **kwargs: additional keyword arguments for the fit function
+
+        Returns:
+            np.ndarray: scores for the validation sets. If splitMultitaskScores is True, each
+            column represents a task and each row a fold. Otherwise, a 1D array is
+            returned with the scores for each fold.
+        """
+        model.initFromDataset(ds)
+        monitor = monitor or self.monitor
+        split = self.split or KFold(
+            n_splits=5, shuffle=True, random_state=model.randomState
+        )
+        evalparams = model.parameters if parameters is None else parameters
+        X, _ = ds.getFeatures()
+        y, _ = ds.getTargetPropertiesValues()
+        monitor.onAssessmentStart(model, ds, self.__class__.__name__)
+        # cross validation
+        fold_counter = np.zeros(y.shape[0])
+        predictions = []
+        scores = []
+        for i, (X_train, X_test, y_train, y_test, idx_train, idx_test) in enumerate(
+            ds.iterFolds(split=split)
+        ):
+            logger.debug(
+                "cross validation fold %s started: %s"
+                % (i, datetime.now().strftime("%Y-%m-%d %H:%M:%S"))
+            )
+            monitor.onFoldStart(
+                fold=i, X_train=X_train, y_train=y_train, X_test=X_test, y_test=y_test
+            )
+            # fit model
+            crossval_estimator = model.loadEstimator(evalparams)
+            model_fit = model.fit(
+                X_train,
+                y_train,
+                crossval_estimator,
+                self.mode,
+                monitor=monitor,
+                **kwargs,
+            )
+            # make predictions
+            if model.task.isRegression() or not self.useProba:
+                fold_predictions = model.predict(X_test, crossval_estimator)
+            else:
+                fold_predictions = model.predictProba(X_test, crossval_estimator)
+            # score
+            if model.isMultiTask and self.splitMultitaskScores:
+                scores_tasks = []
+                for idx, prop in enumerate(model.targetProperties):
+                    if self.useProba and prop.task.isClassification():
+                        prop_predictions = [fold_predictions[idx]]
+                        scores_tasks.append(
+                            self.scoreFunc(y.iloc[idx_test, idx], prop_predictions)
+                        )
+                    else:
+                        scores_tasks.append(
+                            self.scoreFunc(
+                                y.iloc[idx_test, idx], fold_predictions[:, idx]
+                            )
+                        )
+                scores.append(scores_tasks)
+            else:
+                score = self.scoreFunc(y.iloc[idx_test], fold_predictions)
+                scores.append(score)
+            # save molecule ids and fold number
+            fold_counter[idx_test] = i
+            logger.debug(
+                "cross validation fold %s ended: %s"
+                % (i, datetime.now().strftime("%Y-%m-%d %H:%M:%S"))
+            )
+            fold_predictions_df = self.predictionsToDataFrame(
+                model,
+                y.iloc[idx_test],
+                fold_predictions,
+                pd.Series(y.index).iloc[idx_test],
+                extra_columns={"Fold": fold_counter[idx_test]},
+            )
+            monitor.onFoldEnd(model_fit, fold_predictions_df)
+            predictions.append(fold_predictions_df)
+        # save results
+        if save:
+            pd.concat(predictions).round(self.round).to_csv(
+                f"{model.outPrefix}.cv.tsv", sep="\t"
+            )
+        monitor.onAssessmentEnd(pd.concat(predictions))
+        return np.array(scores)
+
+
+class TestSetAssessor(ModelAssessor):
+    """Assess a model on a test set.
+
+    Attributes:+
+        useProba (bool): use predictProba instead of predict for classification
+        monitor (AssessorMonitor): monitor to use for assessment, if None, a BaseMonitor
+            is used
+        mode (EarlyStoppingMode): mode to use for early stopping
+        round (int): number of decimal places to round predictions to (default: 3)
+        splitMultitaskScores (bool): whether to split the scores per task for multitask models
+    """
+
+    def __init__(
+        self,
+        scoring: str | Callable[[Iterable, Iterable], float],
+        monitor: AssessorMonitor | None = None,
+        use_proba: bool = True,
+        mode: EarlyStoppingMode | None = None,
+        round: int = 5,
+        split_multitask_scores: bool = False,
+    ):
+        super().__init__(scoring, monitor, use_proba, mode, split_multitask_scores)
+        if monitor is None:
+            self.monitor = BaseMonitor()
+        self.round = round
+
+    def __call__(
+        self,
+        model: QSPRModel,
+        ds: QSPRDataset,
+        save: bool = True,
+        parameters: dict | None = None,
+        monitor: AssessorMonitor | None = None,
+        **kwargs,
+    ) -> np.ndarray:
+        """Make predictions for independent test set.
+
+        Arguments:
+            model (QSPRModel): model to assess
+            ds (QSPRDataset): dataset to assess on
+            scoring (str | Callable): scoring function to use
+            save (bool): whether to save predictions to file
+            parameters (dict): optional model parameters to use in assessment
+            use_proba (bool): use predictProba instead of predict for classification
+            monitor (AssessorMonitor): optional, overrides monitor set in constructor
+            **kwargs: additional keyword arguments for the fit function
+
+        Returns:
+            np.ndarray: scores for the test set. If splitMultitaskScores is True, each
+            column represents a task. Otherwise, a 1D array is returned with the score
+            for the test set.
+        """
+        model.initFromDataset(ds)
+        monitor = monitor or self.monitor
+        evalparams = model.parameters if parameters is None else parameters
+        X, X_ind = ds.getFeatures()
+        y, y_ind = ds.getTargetPropertiesValues()
+        monitor.onAssessmentStart(model, ds, self.__class__.__name__)
+        monitor.onFoldStart(fold=0, X_train=X, y_train=y, X_test=X_ind, y_test=y_ind)
+        # fit model
+        ind_estimator = model.loadEstimator(evalparams)
+        ind_estimator = model.fit(
+            X, y, ind_estimator, self.mode, monitor=monitor, **kwargs
+        )
+        # predict values for independent test set
+        if model.task.isRegression() or not self.useProba:
+            predictions = model.predict(X_ind, ind_estimator)
+        else:
+            predictions = model.predictProba(X_ind, ind_estimator)
+        # score
+        if model.isMultiTask and self.splitMultitaskScores:
+            scores_tasks = []
+            for idx, prop in enumerate(model.targetProperties):
+                if self.useProba and prop.task.isClassification():
+                    prop_predictions = [predictions[idx]]
+                    scores_tasks.append(
+                        self.scoreFunc(y_ind.iloc[:, idx], prop_predictions)
+                    )
+                else:
+                    scores_tasks.append(
+                        self.scoreFunc(y_ind.iloc[:, idx], predictions[:, idx])
+                    )
+            score = scores_tasks
+        else:
+            score = [self.scoreFunc(y_ind, predictions)]
+        predictions_df = self.predictionsToDataFrame(
+            model, y_ind, predictions, y_ind.index
+        )
+        monitor.onFoldEnd(ind_estimator, predictions_df)
+        # predict values for independent test set and save results
+        if save:
+            predictions_df.round(self.round).to_csv(
+                f"{model.outPrefix}.ind.tsv", sep="\t"
+            )
+        monitor.onAssessmentEnd(predictions_df)
+        return np.array(score)
diff --git a/qsprpred/models/assessment/regression.py b/qsprpred/models/assessment/regression.py
new file mode 100644
index 00000000..2a5b73da
--- /dev/null
+++ b/qsprpred/models/assessment/regression.py
@@ -0,0 +1,28 @@
+import pandas as pd
+
+from sklearn import metrics
+
+
+def create_correlation_summary(model):
+    cv_path = f"{model.outPrefix}.cv.tsv"
+    ind_path = f"{model.outPrefix}.ind.tsv"
+
+    cate = [cv_path, ind_path]
+    cate_names = ["cv", "ind"]
+    property_name = model.targetProperties[0].name
+    summary = {"ModelName": [], "R2": [], "RMSE": [], "Set": []}
+    for j, _ in enumerate(["Cross Validation", "Independent Test"]):
+        df = pd.read_table(cate[j])
+        coef = metrics.r2_score(
+            df[f"{property_name}_Label"], df[f"{property_name}_Prediction"]
+        )
+        rmse = metrics.root_mean_squared_error(
+            df[f"{property_name}_Label"],
+            df[f"{property_name}_Prediction"],
+        )
+        summary["R2"].append(coef)
+        summary["RMSE"].append(rmse)
+        summary["Set"].append(cate_names[j])
+        summary["ModelName"].append(model.name)
+
+    return summary
diff --git a/qsprpred/models/assessment_methods.py b/qsprpred/models/assessment_methods.py
deleted file mode 100644
index 0f59c13c..00000000
--- a/qsprpred/models/assessment_methods.py
+++ /dev/null
@@ -1,148 +0,0 @@
-"""This module holds assessment methods for QSPRModels"""
-
-from datetime import datetime
-
-import numpy as np
-import pandas as pd
-
-from ..logs import logger
-from .interfaces import ModelAssessor, QSPRModel
-
-
-class CrossValAssessor(ModelAssessor):
-    """Perform cross validation on a model.
-
-    Attributes:
-        useProba (bool): use predictProba instead of predict for classification
-    """
-    def __call__(
-        self,
-        model: QSPRModel,
-        save: bool = True,
-        parameters: dict | None = None,
-        **kwargs,
-    ) -> float | np.ndarray:
-        """Perform cross validation on the model with the given parameters.
-
-        Arguments:
-            model (QSPRModel): model to assess
-            save (bool): whether to save predictions to file
-            parameters (dict): optional model parameters to use in assessment
-            use_proba (bool): use predictProba instead of predict for classification
-            **kwargs: additional keyword arguments for the fit function
-
-        Returns:
-            float | np.ndarray: predictions on the validation set
-        """
-        evalparams = model.parameters if parameters is None else parameters
-        # check if data is available
-        model.checkForData()
-        X, _ = model.data.getFeatures()
-        y, _ = model.data.getTargetPropertiesValues()
-        # prepare arrays to store molecule ids and predictions
-        cvs_ids = np.array([None] * len(X))
-        if model.task.isRegression() or not self.useProba:
-            cvs = np.zeros((y.shape[0], model.nTargets))
-        else:
-            cvs = [
-                np.zeros((y.shape[0], prop.nClasses)) for prop in model.targetProperties
-            ]
-        # cross validation
-        folds = model.data.createFolds()
-        fold_counter = np.zeros(y.shape[0])
-        for i, (X_train, X_test, y_train, y_test, idx_train,
-                idx_test) in enumerate(folds):
-            logger.debug(
-                "cross validation fold %s started: %s" %
-                (i, datetime.now().strftime("%Y-%m-%d %H:%M:%S"))
-            )
-            # fit model
-            crossval_estimator = model.loadEstimator(evalparams)
-            model.fit(X_train, y_train, crossval_estimator, mode=self.mode, **kwargs)
-            # make predictions
-            if model.task.isRegression() or not self.useProba:
-                cvs[idx_test] = model.predict(X_test, crossval_estimator)
-            else:
-                preds = model.predictProba(X_test, crossval_estimator)
-                for idx in range(model.nTargets):
-                    cvs[idx][idx_test] = preds[idx]
-            # save molecule ids and fold number
-            fold_counter[idx_test] = i
-            cvs_ids[idx_test] = X.iloc[idx_test].index.to_numpy()
-            logger.debug(
-                "cross validation fold %s ended: %s" %
-                (i, datetime.now().strftime("%Y-%m-%d %H:%M:%S"))
-            )
-        # save results
-        if save:
-            index_name = model.data.getDF().index.name
-            cvs_index = pd.Index(cvs_ids, name=index_name)
-            self.savePredictionsToFile(
-                model, y, cvs, cvs_index, "cv", extra_columns={"Fold": fold_counter}
-            )
-        # create output list with tuples of true values and predictions for each fold
-        output = []
-        for i in np.unique(fold_counter):
-            if model.task.isRegression():
-                predictions = cvs[fold_counter == i]
-            else:
-                predictions = [cvs_task[fold_counter == i] for cvs_task in cvs]
-            output.append((y[fold_counter == i], predictions))
-
-        return output
-
-
-class TestSetAssessor(ModelAssessor):
-    def __call__(
-        self,
-        model: QSPRModel,
-        save: bool = True,
-        parameters: dict | None = None,
-        **kwargs,
-    ):
-        """Make predictions for independent test set.
-
-        Arguments:
-            model (QSPRModel): model to assess
-            save (bool): whether to save predictions to file
-            parameters (dict): optional model parameters to use in assessment
-            use_proba (bool): use predictProba instead of predict for classification
-            **kwargs: additional keyword arguments for the fit function
-
-        Returns:
-            float | np.ndarray: predictions for evaluation
-        """
-        evalparams = model.parameters if parameters is None else parameters
-        # check if data is available
-        model.checkForData()
-        X, X_ind = model.data.getFeatures()
-        y, y_ind = model.data.getTargetPropertiesValues()
-        # prepare arrays to store molecule ids and predictions
-        inds_ids = X_ind.index.to_numpy()
-        if not model.task.isRegression() and self.useProba:
-            inds = [
-                np.zeros((y_ind.shape[0], prop.nClasses))
-                for prop in model.targetProperties
-            ]
-        # fit model
-        ind_estimator = model.loadEstimator(evalparams)
-        ind_estimator = model.fit(X, y, ind_estimator, mode=self.mode, **kwargs)
-        # if independent test set is available, predict on it
-        if X_ind.shape[0] > 0:
-            if model.task.isRegression() or not self.useProba:
-                inds = model.predict(X_ind, ind_estimator)
-            else:
-                preds = model.predictProba(X_ind, ind_estimator)
-                for idx in range(model.nTargets):
-                    inds[idx] = preds[idx]
-        else:
-            logger.warning(
-                "No independent test set available. "
-                "Skipping prediction on independent test set."
-            )
-        # predict values for independent test set and save results
-        if save:
-            index_name = model.data.getDF().index.name
-            ind_index = pd.Index(inds_ids, name=index_name)
-            self.savePredictionsToFile(model, y_ind, inds, ind_index, "ind")
-        return [(y_ind, inds)]
diff --git a/qsprpred/models/early_stopping.py b/qsprpred/models/early_stopping.py
index 4cb51374..8650d11d 100644
--- a/qsprpred/models/early_stopping.py
+++ b/qsprpred/models/early_stopping.py
@@ -6,7 +6,7 @@
 import numpy as np
 import pandas as pd
 
-from ..data.data import QSPRDataset
+from ..data.tables.qspr import QSPRDataset
 from ..logs import logger
 
 
@@ -160,6 +160,10 @@ def __bool__(self) -> bool:
         """Return whether early stopping is used."""
         return self.mode.__bool__()
 
+    def clean(self):
+        """Clean early stopping object."""
+        self._trainedEpochs = []
+
 
 def early_stopping(func: Callable) -> Callable:
     """Early stopping decorator for fit method of models that support early stopping.
@@ -173,6 +177,8 @@ def wrapper_fit(
         y: pd.DataFrame | np.ndarray | QSPRDataset,
         estimator: Any | None = None,
         mode: EarlyStoppingMode | None = None,
+        split: "DataSplit" = None,
+        monitor: "FitMonitor" = None,
         **kwargs,
     ) -> Any:
         """Wrapper for fit method of models that support early stopping.
@@ -182,6 +188,10 @@ def wrapper_fit(
             y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
             estimator (Any): estimator instance to use for fitting
             mode (EarlyStoppingMode): early stopping mode
+            split (DataSplit): data split to use for early stopping,
+                if None, a ShuffleSplit with 10% validation set size is used
+            monitor (FitMonitor): monitor to use for fitting, if None, a BaseMonitor
+                is used
             kwargs (dict): additional keyword arguments for the estimator's fit method
 
         Returns:
@@ -192,7 +202,9 @@ def wrapper_fit(
             " early stopping."
         )
         self.earlyStopping.mode = mode if mode is not None else self.earlyStopping.mode
-        estimator, best_epoch = func(self, X, y, estimator, mode, **kwargs)
+        estimator, best_epoch = func(
+            self, X, y, estimator, mode, split, monitor, **kwargs
+        )
         if self.earlyStopping.mode == EarlyStoppingMode.RECORDING:
             self.earlyStopping.recordEpochs(best_epoch + 1)  # +1 for 0-indexing
         return estimator
diff --git a/qsprpred/models/hyperparam_optimization.py b/qsprpred/models/hyperparam_optimization.py
index 12b7d175..d3409716 100644
--- a/qsprpred/models/hyperparam_optimization.py
+++ b/qsprpred/models/hyperparam_optimization.py
@@ -1,5 +1,6 @@
 """Module for hyperparameter optimization of QSPRModels."""
 
+from abc import ABC, abstractmethod
 from datetime import datetime
 from typing import Callable, Iterable
 
@@ -7,12 +8,67 @@
 import optuna.trial
 from sklearn.model_selection import ParameterGrid
 
+from qsprpred.models.assessment.methods import ModelAssessor
+from ..data import QSPRDataset
 from ..logs import logger
-from ..models.assessment_methods import CrossValAssessor
-from ..models.interfaces import HyperParameterOptimization, ModelAssessor, QSPRModel
+from ..models.models import QSPRModel
+from ..models.monitors import BaseMonitor, HyperparameterOptimizationMonitor
 
 
-class OptunaOptimization(HyperParameterOptimization):
+class HyperparameterOptimization(ABC):
+    """Base class for hyperparameter optimization.
+
+    Attributes:
+        runAssessment (ModelAssessor): evaluation method to use
+        scoreAggregation (Callable[[Iterable], float]): function to aggregate scores
+        paramGrid (dict): dictionary of parameters to optimize
+        monitor (HyperparameterOptimizationMonitor): monitor to track the optimization
+        bestScore (float): best score found during optimization
+        bestParams (dict): best parameters found during optimization
+    """
+
+    def __init__(
+        self,
+        param_grid: dict,
+        model_assessor: ModelAssessor,
+        score_aggregation: Callable[[Iterable], float],
+        monitor: HyperparameterOptimizationMonitor | None = None,
+    ):
+        """Initialize the hyperparameter optimization class.
+
+        param_grid (dict):
+            dictionary of parameters to optimize
+        model_assessor (ModelAssessor):
+            assessment method to use for determining the best parameters
+        score_aggregation (Callable[[Iterable], float]): function to aggregate scores
+        monitor (HyperparameterOptimizationMonitor): monitor to track the optimization,
+            if None, a BaseMonitor is used
+        """
+        self.runAssessment = model_assessor
+        self.scoreAggregation = score_aggregation
+        self.paramGrid = param_grid
+        self.bestScore = -np.inf
+        self.bestParams = None
+        self.monitor = monitor
+        self.config = {
+            "param_grid": param_grid,
+            "model_assessor": model_assessor,
+            "score_aggregation": score_aggregation,
+        }
+
+    @abstractmethod
+    def optimize(self, model: QSPRModel, ds: QSPRDataset) -> dict:
+        """Optimize the model hyperparameters.
+
+        Args:
+            model (QSPRModel): model to optimize
+            ds (QSPRDataset): dataset to use for the optimization
+        Returns:
+            dict: dictionary of best parameters
+        """
+
+
+class OptunaOptimization(HyperparameterOptimization):
     """Class for hyperparameter optimization of QSPRModels using Optuna.
 
     Attributes:
@@ -26,7 +82,7 @@ class OptunaOptimization(HyperParameterOptimization):
             best parameters found during optimization
 
     Example of OptunaOptimization for scikit-learn's MLPClassifier:
-        >>> model = SklearnModel(base_dir=".", data=dataset,
+        >>> model = SklearnModel(base_dir=".",
         >>>                     alg = MLPClassifier(), alg_name="MLP")
         >>> search_space = {
         >>>    "learning_rate_init": ["float", 1e-5, 1e-3,],
@@ -38,17 +94,18 @@ class OptunaOptimization(HyperParameterOptimization):
         >>>     param_grid=search_space,
         >>>     n_trials=10
         >>> )
-        >>> best_params = optimizer.optimize(model)
+        >>> best_params = optimizer.optimize(model, dataset) # dataset is a QSPRDataset
 
     Available suggestion types:
         ["categorical", "discrete_uniform", "float", "int", "loguniform", "uniform"]
     """
+
     def __init__(
         self,
-        scoring: str | Callable[[Iterable, Iterable], float],
         param_grid: dict,
-        model_assessor: ModelAssessor = CrossValAssessor(),
+        model_assessor: ModelAssessor,
         score_aggregation: Callable[[Iterable], float] = np.mean,
+        monitor: HyperparameterOptimizationMonitor | None = None,
         n_trials: int = 100,
         n_jobs: int = 1,
     ):
@@ -56,24 +113,27 @@ def __init__(
         of QSPRModels using Optuna.
 
         Args:
-            scoring (str | Callable[[Iterable, Iterable], float]]):
-                scoring function for the optimization.
             param_grid (dict):
                 search space for bayesian optimization, keys are the parameter names,
                 values are lists with first element the type of the parameter and the
                 following elements the parameter bounds or values.
-            model_assessor (ModelAssessor): assessment method to use for the
-                                            optimization (default: CrossValAssessor)
-            score_aggregation (Callable): function to aggregate the scores of different
-                                          folds if the assessment method returns
-                                          multiple predictions
+            model_assessor (ModelAssessor):
+                assessment method to use for the optimization
+                (default: CrossValAssessor)
+            score_aggregation (Callable):
+                function to aggregate the scores of different folds if the assessment
+                method returns multiple predictions
+            monitor (HyperparameterOptimizationMonitor):
+                monitor for the optimization, if None, a BaseMonitor is used
             n_trials (int):
                 number of trials for bayes optimization
             n_jobs (int):
                 number of jobs to run in parallel.
                 At the moment only n_jobs=1 is supported.
         """
-        super().__init__(scoring, param_grid, model_assessor, score_aggregation)
+        super().__init__(param_grid, model_assessor, score_aggregation, monitor)
+        if monitor is None:
+            self.monitor = BaseMonitor()
         search_space_types = [
             "categorical",
             "discrete_uniform",
@@ -93,44 +153,63 @@ def __init__(
             )
 
         self.nTrials = n_trials
-        if n_jobs > 1:
+        self.nJobs = n_jobs
+        if self.nJobs > 1:
             logger.warning(
                 "At the moment n_jobs>1 not available for bayes optimization, "
                 "n_jobs set to 1."
             )
-        self.nJobs = 1
+            self.nJobs = 1
         self.bestScore = -np.inf
         self.bestParams = None
+        self.config.update(
+            {
+                "n_trials": n_trials,
+                "n_jobs": n_jobs,
+            }
+        )
 
-    def optimize(self, model: QSPRModel, **kwargs) -> dict:
+    def optimize(
+        self, model: QSPRModel, ds: QSPRDataset, save_params: bool = True, **kwargs
+    ) -> dict:
         """Bayesian optimization of hyperparameters using optuna.
 
         Args:
             model (QSPRModel): the model to optimize
+            ds (QSPRDataset): dataset to use for the optimization
+            save_params (bool):
+                whether to set and save the best parameters to the model
+                after optimization
             **kwargs: additional arguments for the assessment method
 
         Returns:
             dict: best parameters found during optimization
         """
-        self.scoreFunc.checkMetricCompatibility(model.task, self.runAssessment.useProba)
         import optuna
 
+        self.monitor.onOptimizationStart(
+            model, ds, self.config, self.__class__.__name__
+        )
+
         logger.info(
             "Bayesian optimization can take a while "
             "for some hyperparameter combinations"
         )
         # create optuna study
-        study = optuna.create_study(direction="maximize")
+        study = optuna.create_study(
+            direction="maximize",
+            sampler=optuna.samplers.TPESampler(seed=model.randomState),
+        )
         logger.info(
-            "Bayesian optimization started: %s" %
-            datetime.now().strftime("%Y-%m-%d %H:%M:%S")
+            "Bayesian optimization started: %s"
+            % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
         study.optimize(
-            lambda t: self.objective(t, model), self.nTrials, n_jobs=self.nJobs
+            lambda t: self.objective(t, model, ds), self.nTrials, n_jobs=self.nJobs
         )
         logger.info(
-            "Bayesian optimization ended: %s" %
-            datetime.now().strftime("%Y-%m-%d %H:%M:%S")
+            "Bayesian optimization ended: %s"
+            % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
         # save the best study
         trial = study.best_trial
@@ -139,14 +218,23 @@ def optimize(self, model: QSPRModel, **kwargs) -> dict:
         # save the best score and parameters, return the best parameters
         self.bestScore = trial.value
         self.bestParams = trial.params
+
+        self.monitor.onOptimizationEnd(self.bestScore, self.bestParams)
+        # save the best parameters to the model if requested
+        if save_params:
+            model.setParams(self.bestParams)
+            model.save()
         return self.bestParams
 
-    def objective(self, trial: optuna.trial.Trial, model: QSPRModel, **kwargs) -> float:
+    def objective(
+        self, trial: optuna.trial.Trial, model: QSPRModel, ds: QSPRDataset, **kwargs
+    ) -> float:
         """Objective for bayesian optimization.
 
         Arguments:
             trial (optuna.trial.Trial): trial object for the optimization
             model (QSPRModel): the model to optimize
+            ds (QSPRDataset): dataset to use for the optimization
             **kwargs: additional arguments for the assessment method
 
         Returns:
@@ -171,59 +259,61 @@ def objective(self, trial: optuna.trial.Trial, model: QSPRModel, **kwargs) -> fl
                 )
             elif value[0] == "uniform":
                 bayesian_params[key] = trial.suggest_float(key, value[1], value[2])
+        self.monitor.onIterationStart(bayesian_params)
         # assess the model with the current parameters and return the score
-        y, y_ind = model.data.getTargetPropertiesValues()
-        predictions = self.runAssessment(
-            model, save=False, parameters=bayesian_params, **kwargs
+        scores = self.runAssessment(
+            model,
+            ds=ds,
+            save=False,
+            parameters=bayesian_params,
+            monitor=self.monitor,
+            **kwargs,
         )
-        scores = []
-        # TODO: this should be removed once random seeds are fixed
-        for pred in predictions:
-            if model.task.isClassification():
-                # check if more than 1 class in y_true
-                if not len(np.unique(pred[0])) > 1:
-                    logger.warning("Only 1 class in y_true, skipping fold.")
-                    pass
-            scores.append(self.scoreFunc(*pred))
-        assert len(scores) > 0, "No scores calculated, all folds skipped."
-        # scores = [self.scoreFunc(*pred) for pred in predictions]
         score = self.scoreAggregation(scores)
         logger.info(bayesian_params)
         logger.info(f"Score: {score}, std: {np.std(scores)}")
+        self.monitor.onIterationEnd(score, scores)
         return score
 
 
-class GridSearchOptimization(HyperParameterOptimization):
+class GridSearchOptimization(HyperparameterOptimization):
     """Class for hyperparameter optimization of QSPRModels using GridSearch."""
+
     def __init__(
         self,
-        scoring: str | Callable[[Iterable, Iterable], float],
         param_grid: dict,
-        model_assessor: ModelAssessor = CrossValAssessor(),
+        model_assessor: ModelAssessor,
         score_aggregation: Callable = np.mean,
+        monitor: HyperparameterOptimizationMonitor | None = None,
     ):
         """Initialize the class.
 
         Args:
-            scoring (Union[str, Callable[[Iterable, Iterable], Iterable]]):
-                metric name from sklearn.metrics or user-defined scoring function.
             param_grid (dict):
-                dictionary with parameter names as keys and lists
-                of parameter settings to try as values
-            model_assessor (ModelAssessor): assessment method to use for the
-                                                  optimization
-            score_aggregation (Callable): function to aggregate the scores of different
-                                          folds if the assessment method returns
-                                          multiple predictions (default: np.mean)
+                dictionary with parameter names as keys and lists of parameter settings
+                to try as values
+            model_assessor (ModelAssessor):
+                assessment method to use for the optimization
+            score_aggregation (Callable):
+                function to aggregate the scores of different folds if the assessment
+                method returns multiple predictions (default: np.mean)
+            monitor (HyperparameterOptimizationMonitor):
+                monitor for the optimization, if None, a BaseMonitor is used
         """
-        super().__init__(scoring, param_grid, model_assessor, score_aggregation)
+        super().__init__(param_grid, model_assessor, score_aggregation, monitor)
+        if monitor is None:
+            self.monitor = BaseMonitor()
 
-    def optimize(self, model: QSPRModel, save_params: bool = True, **kwargs) -> dict:
+    def optimize(
+        self, model: QSPRModel, ds: QSPRDataset, save_params: bool = True, **kwargs
+    ) -> dict:
         """Optimize the hyperparameters of the model.
 
         Args:
             model (QSPRModel):
                 the model to optimize
+            ds (QSPRDataset):
+                dataset to use for the optimization
             save_params (bool):
                 whether to set and save the best parameters to the model
                 after optimization
@@ -232,40 +322,35 @@ def optimize(self, model: QSPRModel, save_params: bool = True, **kwargs) -> dict
         Returns:
             dict: best parameters found during optimization
         """
-        self.scoreFunc.checkMetricCompatibility(model.task, self.runAssessment.useProba)
+        self.monitor.onOptimizationStart(
+            model, ds, self.config, self.__class__.__name__
+        )
         logger.info(
             "Grid search started: %s" % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
         for params in ParameterGrid(self.paramGrid):
+            self.monitor.onIterationStart(params)
             logger.info(params)
-            predictions = self.runAssessment(
-                model, save=False, parameters=params, **kwargs
+            scores = self.runAssessment(
+                model, ds, save=False, parameters=params, monitor=self.monitor, **kwargs
             )
-            scores = []
-            # TODO: this should be removed once random seeds are fixed
-            for pred in predictions:
-                if model.task.isClassification():
-                    # check if more than 1 class in y_true
-                    if not len(np.unique(pred[0])) > 1:
-                        logger.warning("Only 1 class in y_true, skipping fold.")
-                        pass
-                scores.append(self.scoreFunc(*pred))
-            assert len(scores) > 0, "No scores calculated, all folds skipped."
-            # scores = [self.scoreFunc(*pred) for pred in predictions]
             score = self.scoreAggregation(scores)
             logger.info(f"Score: {score}, std: {np.std(scores)}")
             if score > self.bestScore:
                 self.bestScore = score
                 self.bestParams = params
+            self.monitor.onIterationEnd(score, scores)
         # log some info and return the best parameters
         logger.info(
             "Grid search ended: %s" % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
         logger.info(
-            "Grid search best params: %s with score: %s" %
-            (self.bestParams, self.bestScore)
+            "Grid search best params: %s with score: %s"
+            % (self.bestParams, self.bestScore)
         )
         # save the best parameters to the model if requested
         if save_params:
-            model.saveParams(self.bestParams)
+            model.setParams(self.bestParams)
+            model.save()
+        self.monitor.onOptimizationEnd(self.bestScore, self.bestParams)
         return self.bestParams
diff --git a/qsprpred/models/metrics.py b/qsprpred/models/metrics.py
index 670d60f0..2e6d0e88 100644
--- a/qsprpred/models/metrics.py
+++ b/qsprpred/models/metrics.py
@@ -1,13 +1,11 @@
 """Wrapper for sklearn scoring functions."""
 
 from abc import ABC, abstractmethod
-from functools import partial
-from typing import Callable, ClassVar, Iterable
 
 import numpy as np
-from sklearn import metrics
-
-from .tasks import ModelTasks
+import sklearn
+from sklearn.metrics import get_scorer
+from sklearn.metrics._scorer import _BaseScorer
 
 
 class Metric(ABC):
@@ -15,248 +13,80 @@ class Metric(ABC):
 
     Attributes:
         name (str): Name of the scoring function.
-        func (Callable[[Iterable, Iterable], float]): Scoring function.
     """
-    def __init__(self, name: str, func: Callable[[Iterable, Iterable, ...], float]):
-        """Initialize the scoring function.
-
-        Args:
-            name (str): Name of the scoring function.
-            func (Callable[[Iterable, Iterable], float]): Scoring function.
-        """
-        self.name = name
-        self.func = func
-
     @abstractmethod
     def __call__(
-        self, y_true: np.ndarray, y_pred: np.ndarray | list[np.ndarray], *args, **kwargs
+        self, y_true: np.ndarray, y_pred: np.ndarray | list[np.ndarray]
     ) -> float:
         """Calculate the score.
 
         Args:
             y_true (np.ndarray): True values. Must be of shape (n_samples, n_targets)
-            y_pred (np.ndarray | list[np.ndarray]): Predicted values. Must be of shape
-                               (n_samples, n_targets) or list of arrays of shape
-                               (n_samples, n_task) of length n_targets.
-            *args: Additional arguments.
-            **kwargs: Additional keyword arguments.
-        """
-
-    def checkMetricCompatibility(self, task: ModelTasks, probas: bool):
-        """Check if the metric supports the given task and prediction type.
-
-        Args:
-            task (ModelTasks): Task of the model.
-            probas (bool): True if the predictions are probabilities.
-
-        Raises:
-            ValueError: If the metric does not support the given task or prediction
-                        type.
-        """
-        if not self.supportsTask(task):
-            raise ValueError("Scorer %s does not support task %s" % (self.name, task))
-        if self.needsProbasToScore and not probas:
-            raise ValueError("Scorer %s needs probabilities to score" % self.name)
-        if self.needsDiscreteToScore and probas:
-            raise ValueError("Scorer %s needs discrete values to score" % self.name)
-
-    @abstractmethod
-    def supportsTask(self, task: ModelTasks) -> bool:
-        """Return true if the scorer supports the given task.
-
-        Args:
-            task (ModelTasks): Task of the model.
+            y_pred (np.ndarray | list[np.ndarray]): Predicted values. Shape
+                (n_samples, n_tasks) for regression or discrete class predictions.
+                List of arrays of shape (n_samples, n_classes) of length n_tasks for
+                class probability predictions.
 
         Returns:
-            bool: True if the scorer supports the given task.
+            float: Score of the predictions.
         """
 
-    @property
-    @abstractmethod
-    def needsProbasToScore(self) -> bool:
-        """Return True if the scorer needs probabilities to score.
-
-        Returns:
-            bool: True if the scorer needs probabilities to score.
-        """
-
-    @property
-    @abstractmethod
-    def needsDiscreteToScore(self) -> bool:
-        """Return True if the scorer needs discrete values to score.
-
-        Returns:
-            bool: True if the scorer needs discrete values to score.
-        """
-
-    @property
-    def isClassificationMetric(self) -> bool:
-        """Return true if the scorer supports any type of classification tasks."""
-        return (
-            self.supports_SINGLECLASS or self.supports_MULTICLASS or
-            self.supports_MULTITASK_SINGLECLASS or self.supports_MULTITASK_MULTICLASS or
-            self.supports_MULTITASK_MIXED
-        )
-
-    @property
-    def isRegressionMetric(self) -> bool:
-        """Return true if the scorer supports any type of regression tasks."""
-        return (
-            self.supports_REGRESSION or self.supports_MULTITASK_REGRESSION or
-            self.supports_MULTITASK_MIXED
-        )
-
     def __str__(self) -> str:
         """Return the name of the scorer."""
         return self.name
 
 
-class SklearnMetric(Metric):
+class SklearnMetrics(Metric):
     """Wrapper for sklearn scoring functions.
 
     Attributes:
+        name (str): Name of the scoring function.
         scorer: Sklearn scorer object.
-        regressionMetrics: List of regression metrics.
-        singleClassMetrics: List of single class classification metrics.
-        multiClassMetrics: List of multi class classification metrics.
-        multiTaskRegressionMetrics: List of multi task regression metrics.
-        multiTaskSingleClassMetrics:
-            List of multi task single class classification metrics.
-        multiTaskMultiClassMetrics:
-             List of multi task multi class classification metrics.
-        multiTaskMixedMetrics: List of multi task mixed metrics.
     """
+    def __init__(self, scorer: str | _BaseScorer):
+        """Initialize the scoring function.
 
-    regressionMetrics: ClassVar[list[str]] = [
-        "explained_variance",
-        "max_error",
-        "neg_mean_absolute_error",
-        "neg_mean_squared_error",
-        "neg_root_mean_squared_error",
-        "neg_mean_squared_log_error",
-        "neg_median_absolute_error",
-        "r2",
-        "neg_mean_poisson_deviance",
-        "neg_mean_gamma_deviance",
-        "neg_mean_absolute_percentage_error",
-    ]  # 'd2_absolute_error_score','d2_pinball_score', 'd2_tweedie_scor'
-    singleClassMetrics: ClassVar[list[str]] = [
-        "average_precision",
-        "neg_brier_score",
-        "neg_log_loss",
-        "roc_auc",
-        "roc_auc_ovo",
-        "roc_auc_ovo_weighted",
-        "roc_auc_ovr",
-        "roc_auc_ovr_weighted",
-        "accuracy",
-        "balanced_accuracy",
-        "top_k_accuracy",
-        "f1",
-        "f1_micro",
-        "f1_macro",
-        "f1_weighted",
-        "precision",
-        "precision_micro",
-        "precision_macro",
-        "precision_weighted",
-        "recall",
-        "recall_micro",
-        "recall_macro",
-        "recall_weighted",
-        "jaccard",
-        "jaccard_micro",
-        "jaccard_macro",
-        "jaccard_weighted",
-        "matthews_corrcoef",
-    ]
-    multiClassMetrics: ClassVar[list[str]] = [
-        "neg_log_loss",
-        "roc_auc_ovo",
-        "roc_auc_ovo_weighted",
-        "roc_auc_ovr",
-        "roc_auc_ovr_weighted",
-        "accuracy",
-        "balanced_accuracy",
-        "top_k_accuracy",
-        "f1_micro",
-        "f1_macro",
-        "f1_weighted",
-        "precision_micro",
-        "precision_macro",
-        "precision_weighted",
-        "recall_micro",
-        "recall_macro",
-        "recall_weighted",
-        "jaccard_micro",
-        "jaccard_macro",
-        "jaccard_weighted",
-    ]
-    multiTaskRegressionMetrics: ClassVar[list[str]] = [
-        "explained_variance",
-        "neg_mean_absolute_error",
-        "neg_mean_squared_error",
-        "neg_root_mean_squared_error",
-        "neg_mean_squared_log_error",
-        "neg_median_absolute_error",
-        "r2",
-        "neg_mean_absolute_percentage_error",
-    ]
-    multiTaskSingleClassMetrics: ClassVar[list[str]] = [
-        "roc_auc_ovo",
-        "roc_auc_ovo_weighted",
-        "roc_auc_ovr",
-        "roc_auc_ovr_weighted",
-        "accuracy",
-        "average_precision",
-        "f1_micro",
-        "f1_macro",
-        "f1_weighted",
-        "f1_samples",
-        "precision_micro",
-        "precision_macro",
-        "precision_weighted",
-        "precision_samples",
-        "recall_micro",
-        "recall_macro",
-        "recall_weighted",
-        "recall_samples",
-        "jaccard_micro",
-        "jaccard_macro",
-        "jaccard_weighted",
-        "jaccard_samples",
-    ]
-    multiTaskMultiClassMetrics: ClassVar[list[str]] = []
-    multiTaskMixedMetrics: ClassVar[list[str]] = []
-
-    def __init__(self, name, func, scorer):
-        """Initialize the scoring function."""
-        super().__init__(name, func)
+        Args:
+            scorer (str | _BaseScorer): Name of the scoring function or sklearn scorer
+        """
+        if isinstance(scorer, str):
+            scorer = get_scorer(scorer)
         self.scorer = scorer  # Sklearn scorer object
+        self.name = scorer._score_func.__name__  # Name of the scorer
 
-    def __call__(
-        self, y_true: np.ndarray, y_pred: np.ndarray | list[np.ndarray], *args, **kwargs
-    ):
-        """Call the scoring function.
+    def __call__(self, y_true: np.ndarray, y_pred: np.ndarray | list[np.ndarray]):
+        """Calculate the score.
 
         Args:
-            y_true (np.array): True values. Must be of shape (n_samples, n_targets)
-            y_pred (Iterable or np.array): Predicted values. Must be of shape
-                    (n_samples, n_targets) or list of arrays of shape
-                    (n_samples, n_task) of length n_targets.
-            *args: Additional arguments. Unused.
-            **kwargs: Additional keyword arguments. Unused.
+            y_true (np.ndarray): True values. Must be of shape (n_samples, n_targets)
+            y_pred (np.ndarray | list[np.ndarray]): Predicted values. Shape
+                (n_samples, n_tasks) for regression or discrete class predictions.
+                List of arrays of shape (n_samples, n_classes) of length n_tasks for
+                class probability predictions.
+
+        Returns:
+            float: Score of the predictions.
         """
         # Convert predictions to correct shape for sklearn scorer
         if isinstance(y_pred, list):
-            if self.needsDiscreteToScore:
+
+            convert_to_discrete = False
+            if sklearn.__version__ < "1.4.0":
+                if self.scorer.__class__.__name__ == "_PredictScorer":
+                    convert_to_discrete = True
+            elif self.scorer._response_method == "predict":
+                    convert_to_discrete = True
+            elif "predict_proba" not in self.scorer._response_method:
+                    convert_to_discrete = True
+
+            if convert_to_discrete:
                 # convert to discrete values
-                y_pred = np.transpose([np.argmax(y_pred, axis=1) for y_pred in y_pred])
+                y_pred = [np.argmax(yp, axis=1) for yp in y_pred]
             else:
                 # for each task if single class take second column
                 y_pred = [
-                    y_pred[:, 1].reshape(-1, 1) if y_pred.shape[1] == 2 else y_pred
-                    for y_pred in y_pred
+                    yp[:, 1].reshape(-1, 1) if yp.shape[1] == 2 else yp
+                    for yp in y_pred
                 ]
 
             if len(y_pred) > 1:
@@ -266,123 +96,88 @@ def __call__(
                 # if single class classification, convert to 1d array
                 y_pred = y_pred[0]
 
-        return self.func(y_true, y_pred, *args, **kwargs)
-
-    @property
-    def needsProbasToScore(self):
-        """Return True if the scorer needs probabilities to score."""
-        return self.name in [
-            "average_precision",
-            "neg_brier_score",
-            "neg_log_loss",
-            "roc_auc",
-            "roc_auc_ovo",
-            "roc_auc_ovo_weighted",
-            "roc_auc_ovr",
-            "roc_auc_ovr_weighted",
-            "top_k_accuracy",
-        ]
-
-    @property
-    def needsDiscreteToScore(self):
-        """Return True if the scorer needs discrete values to score."""
-        return self.name in [
-            "accuracy",
-            "balanced_accuracy",
-            "f1",
-            "f1_micro",
-            "f1_macro",
-            "f1_weighted",
-            "f1_samples",
-            "precision",
-            "precision_micro",
-            "precision_macro",
-            "precision_weighted",
-            "precision_samples",
-            "recall",
-            "recall_micro",
-            "recall_macro",
-            "recall_weighted",
-            "recall_samples",
-            "matthews_corrcoef",
-        ]
-
-    def supportsTask(self, task: ModelTasks):
-        """Return true if the scorer supports the given task."""
-        task_dict = {
-            ModelTasks.REGRESSION: self.regressionMetrics,
-            ModelTasks.SINGLECLASS: self.singleClassMetrics,
-            ModelTasks.MULTICLASS: self.multiClassMetrics,
-            ModelTasks.MULTITASK_REGRESSION: self.multiTaskRegressionMetrics,
-            ModelTasks.MULTITASK_SINGLECLASS: self.multiTaskSingleClassMetrics,
-            ModelTasks.MULTITASK_MULTICLASS: self.multiTaskMultiClassMetrics,
-            ModelTasks.MULTITASK_MIXED: self.multiTaskMixedMetrics,
-        }
-        return self.name in task_dict[task]
-
-    @classmethod
-    @property
-    def supportedMetrics(cls):
-        """Return a list of all supported metrics."""
-        return list(
-            set(
-                cls.regressionMetrics + cls.singleClassMetrics + cls.multiClassMetrics +
-                cls.multiTaskRegressionMetrics + cls.multiTaskSingleClassMetrics +
-                cls.multiTaskMultiClassMetrics + cls.multiTaskMixedMetrics
-            )
-        )
+        return self._scorerFunc(y_true, y_pred)
 
-    @staticmethod
-    def scorerFunc(scorer, y_true, y_pred):
+    def _scorerFunc(self, y_true, y_pred):
         """Return the scoring function of a sklearn scorer."""
         # From https://stackoverflow.com/questions/63943410/getting-a-scoring-function-by-name-in-scikit-learn
-        return scorer._sign * scorer._score_func(y_true, y_pred, **scorer._kwargs)
-
-    @classmethod
-    def getMetric(cls, name: str):
-        """Return a scorer function object from a sklearn scorer name.
+        return self.scorer._sign * self.scorer._score_func(
+            y_true, y_pred, **self.scorer._kwargs
+        )
 
-        Args:
-            name (str): Name of the scorer function.
 
-        Returns:
-            scorer (SklearnMetric): scorer function from sklearn.metrics wrapped in
-                                    `SklearnMetric` class
-        """
-        scorer = metrics.get_scorer(name)
+def calibration_error(
+    y_true: np.array, y_prob: np.array, n_bins: int = 10, norm: str = "L1"
+) -> float:
+    """Compute the calibration error of a classifier.
 
-        return SklearnMetric(
-            name=name, func=partial(SklearnMetric.scorerFunc, scorer), scorer=scorer
-        )
+    ECE is defined as the expected difference between the predicted probability
+    and the observed frequency in each bin. The lower the ECE, the more
+    calibrated the classifier is.
 
-    @classmethod
-    def getDefaultMetric(
-        cls,
-        task: ModelTasks,
-    ):
-        """Get default scoring function for a QSPRModel from sklearn.metrics.
+    If `y_prob` is 1d, it assumes that probablities correspond to the positive class of
+    a binary classification. If `y_prob` is 2d, it assumes each column corresponds to a
+    class and that the classes are in the columns in ascending order.
 
-        Default scoring functions are:
-            - explained_variance for regression
-            - roc_auc_ovr_weighted for single class classification
-            - roc_auc for multi class classification
+    If `norm` is 'L1', the expected calibration error is returned (ECE).
+    If `norm` is 'L2', the root-mean-square calibration error is returned (RMSCE).
+    If `norm` is 'infinity', the maximum calibration error is returned (MCE).
 
-        Args:
-            task (ModelTasks): Task of the model.
+    Referece: Guo et al. (2017) On Calibration of Modern Neural Networks. https://arxiv.org/abs/1706.04599
 
-        Raises:
-            ValueError: If the model type is currently not supported by sklearn.metrics.
+    Args:
+        y_true (np.array): True class labels. 1d array.
+        y_prob (np.array): Raw probability/score of the positive class
+            or multiclass probability. 1d or 2d array.
+        n_bins (int): Number of bins to use for calibration.
+            A bigger bin number requires more data. Defaults to 10.
+        norm (str): The norm to use for the calibration error.
+            Can be 'L1' or 'L2' or 'infinity'. Defaults to 'L1'.
 
-        Returns:
-            scorer (SklearnMetric):
-                scorer function from sklearn.metrics wrapped in `SklearnMetric` class
-        """
-        if task.isRegression():
-            scorer = SklearnMetric.getMetric("explained_variance")
-        elif task in [ModelTasks.MULTICLASS, ModelTasks.MULTITASK_SINGLECLASS]:
-            scorer = SklearnMetric.getMetric("roc_auc_ovr_weighted")
-        elif task in [ModelTasks.SINGLECLASS]:
-            scorer = SklearnMetric.getMetric("roc_auc")
+    Returns:
+        float: The calibration error.
+    """
+    y_true = np.array(y_true)
+    y_prob = np.array(y_prob)
+    # If `y_prob` is 1d, convert it to 2d by adding
+    # a new axis corresponding to the negative class
+    if y_prob.ndim == 1:
+        y_prob_0 = 1 - y_prob
+        y_prob = np.stack([y_prob_0, y_prob], axis=1)
+    # Get the highest probability and the predicted class
+    y_prob_max = np.max(y_prob, axis=1)
+    y_pred_class = np.argmax(y_prob, axis=1)
+    # Sort data based on the highest probability
+    sorted_indices = np.argsort(y_prob_max)
+    sorted_y_true = y_true[sorted_indices]
+    sorted_y_prob_max = y_prob_max[sorted_indices]
+    sorted_y_pred_class = y_pred_class[sorted_indices]
+    # Bin sorted data
+    binned_y_true = np.array_split(sorted_y_true, n_bins)
+    binned_y_prob_max = np.array_split(sorted_y_prob_max, n_bins)
+    binned_y_pred_class = np.array_split(sorted_y_pred_class, n_bins)
+    # Compute the calibration error by iterating over the bins
+    calibration_error = 0.0
+    for bin_y_true, bin_y_prob_max, bin_y_pred_class in zip(
+        binned_y_true, binned_y_prob_max, binned_y_pred_class
+    ):
+        # Compute the accuracy and the mean probability for the bin
+        mean_prob = np.mean(bin_y_prob_max)
+        accuracy = np.mean(bin_y_true == bin_y_pred_class)
+        # Compute the calibration error for the bin based on the norm
+        if norm == "L1":
+            calibration_error += (
+                np.abs(mean_prob - accuracy) * len(bin_y_true) / len(y_true)
+            )
+        elif norm == "L2":
+            calibration_error += (
+                np.square(mean_prob - accuracy)**2 * len(bin_y_true) / len(y_true)
+            )
+        elif norm == "infinity":
+            calibration_error = max(calibration_error, np.abs(mean_prob - accuracy))
         else:
-            raise ValueError("No supported scoring function for task %s" % task)
-        return scorer
+            raise ValueError(f"Unknown norm {norm}")
+    if norm == "L2":
+        calibration_error = np.sqrt(calibration_error)
+
+    return calibration_error
\ No newline at end of file
diff --git a/qsprpred/models/interfaces.py b/qsprpred/models/models.py
similarity index 50%
rename from qsprpred/models/interfaces.py
rename to qsprpred/models/models.py
index 0fb6288a..169bbd1f 100644
--- a/qsprpred/models/interfaces.py
+++ b/qsprpred/models/models.py
@@ -1,29 +1,31 @@
 """This module holds the base class for QSPRmodels, model types should be a subclass."""
 
 import copy
+import inspect
 import json
 import os
 import shutil
 import sys
+import typing
 from abc import ABC, abstractmethod
 from datetime import datetime
-from typing import Any, Callable, Iterable, List, Type, Union
+from typing import Any, Callable, List, Type, Union
 
 import numpy as np
 import pandas as pd
+from rdkit import Chem
+from rdkit.Chem import Mol
 
-from .. import VERSION
-from ..data.data import MoleculeTable, QSPRDataset, TargetProperty
-from ..data.utils.feature_standardization import SKLearnStandardizer
+from ..data.tables.mol import MoleculeTable
+from ..data.tables.qspr import QSPRDataset
 from ..logs import logger
-from ..models import SSPACE
 from ..models.early_stopping import EarlyStopping, EarlyStoppingMode
-from ..models.metrics import SklearnMetric
-from ..models.tasks import ModelTasks
-from ..utils.inspect import import_class
+from ..tasks import ModelTasks
+from ..utils.inspect import dynamic_import
+from ..utils.serialization import JSONSerializable
 
 
-class QSPRModel(ABC):
+class QSPRModel(JSONSerializable, ABC):
     """The definition of the common model interface for the package.
 
     The QSPRModel handles model initialization, fitting, predicting and saving.
@@ -42,93 +44,17 @@ class QSPRModel(ABC):
         featureStandardizer (SKLearnStandardizer):
             feature standardizer instance taken from the data set
             or deserialized from file if the model is loaded without data
-        metaInfo (dict):
-            dictionary of metadata about the model,
-            only available after the model is saved
         baseDir (str):
             base directory of the model,
             the model files are stored in a subdirectory `{baseDir}/{outDir}/`
-        metaFile (str):
-            absolute path to the metadata file of the model (`{outPrefix}_meta.json`)
+        earlyStopping (EarlyStopping):
+            early stopping tracker for training of QSPRpred models that support
+            early stopping (e.g. neural networks)
+        randomState (int):
+            Random state to use for all random operations for reproducibility.
     """
-    @staticmethod
-    def readStandardizer(path: str) -> "SKLearnStandardizer":
-        """Read a feature standardizer from a JSON file.
-
-        If the file does not exist, None is returned.
-
-        Args:
-            path (str): absolute path to the JSON file
-
-        Returns:
-            SKLearnStandardizer:
-                feature standardizer instance or None if the file does not exist
-        """
-        if os.path.exists(path):
-            return SKLearnStandardizer.fromFile(path)
-
-    @staticmethod
-    def readParams(path: str) -> dict:
-        """Read model parameters from a JSON file.
 
-        Args:
-            path (str): absolute path to the JSON file
-
-        Returns:
-            dict: dictionary of model parameters
-        """
-        with open(path, "r", encoding="utf-8") as j:
-            logger.info("loading model parameters from file: %s" % path)
-            return json.loads(j.read())
-
-    @staticmethod
-    def readDescriptorCalculators(
-        paths: list[str],
-    ) -> list["DescriptorsCalculator"]:  # noqa: F821
-        """Read a descriptor calculators from a JSON file.
-
-        Args:
-            paths (list[str]): absolute path to the JSON file
-
-        Returns:
-            list[DescriptorsCalculator]: descriptor calculator instance
-            or None if the file does not exist
-        """
-        calcs = []
-        for path in paths:
-            if os.path.exists(path):
-                data = json.load(open(path, "r", encoding="utf-8"))
-                if "calculator" not in data:
-                    calc_cls = (
-                        "qsprpred.data.utils.descriptorcalculator."
-                        "MoleculeDescriptorsCalculator"
-                    )
-                else:
-                    calc_cls = data["calculator"]
-                calc_cls = import_class(calc_cls)
-                calc = calc_cls.fromFile(path)
-                calcs.append(calc)
-            else:
-                raise FileNotFoundError(
-                    f"Descriptor calculator file '{path}' not found."
-                )
-        return calcs
-
-    @staticmethod
-    def readEarlyStopping(path):
-        """Read early stopping settings from file.
-
-        If the file does not exist, None is returned.
-
-        Args:
-            path (str): absolute path to the JSON file
-
-        Returns:
-            EarlyStopping:
-                Early stopping instance or None if the file does not exist
-        """
-        if os.path.exists(path):
-            return EarlyStopping.fromFile(path)
+    _notJSON: typing.ClassVar = ["estimator", *JSONSerializable._notJSON]
 
     @staticmethod
     def handleInvalidsInPredictions(
@@ -161,16 +87,6 @@ def handleInvalidsInPredictions(
             predictions = predictions_with_invalids
         return predictions
 
-    @classmethod
-    def getDefaultParamsGrid(cls) -> list:
-        """Get the path to the file with default search grid parameter settings
-        for some predefined estimator types.
-
-        Returns:
-            list: list of default parameter grids
-        """
-        return SSPACE
-
     @classmethod
     def loadParamsGrid(
         cls, fname: str, optim_type: str, model_types: str
@@ -191,73 +107,33 @@ def loadParamsGrid(
                 array with three columns containing modeltype,
                 optimization type (grid or bayes) and model type
         """
-        if fname:
-            try:
-                with open(fname) as json_file:
-                    optim_params = np.array(json.load(json_file), dtype=object)
-            except FileNotFoundError:
-                logger.error("Search space file (%s) not found" % fname)
-                sys.exit()
-        else:
-            with open(cls.getDefaultParamsGrid()) as json_file:
+        try:
+            with open(fname) as json_file:
                 optim_params = np.array(json.load(json_file), dtype=object)
+        except FileNotFoundError:
+            logger.error("Search space file (%s) not found" % fname)
+            sys.exit()
         # select either grid or bayes optimization parameters from param array
         optim_params = optim_params[optim_params[:, 2] == optim_type, :]
         # check all ModelTasks to be used have parameter grid
         model_types = [model_types] if isinstance(model_types, str) else model_types
         if not set(model_types).issubset(list(optim_params[:, 0])):
             logger.error(
-                "model types %s missing from models in search space dict (%s)" %
-                (model_types, optim_params[:, 0])
+                "model types %s missing from models in search space dict (%s)"
+                % (model_types, optim_params[:, 0])
             )
             sys.exit()
         logger.info("search space loaded from file")
         return optim_params
 
-    @classmethod
-    def fromFile(cls, path: str) -> "QSPRModel":
-        """Load a model from its meta file.
-
-        Args:
-            path (str): full path to the model meta file
-        """
-        meta = cls.readMetadata(path)
-        model_class = import_class(meta["model_class"])
-        model_name = meta["name"]
-        base_dir = os.path.dirname(path).replace(f"{model_name}", "")
-        return model_class(name=model_name, base_dir=base_dir)
-
-    @classmethod
-    def readMetadata(cls, path: str) -> dict:
-        """Read model metadata from a JSON file.
-
-        Args:
-            path (str): absolute path to the JSON file
-
-        Returns:
-            dict: dictionary containing the model metadata
-
-        Raises:
-            FileNotFoundError: if the file does not exist
-        """
-        if os.path.exists(path):
-            with open(path) as j:
-                meta_info = json.loads(j.read())
-                meta_info["target_properties"] = TargetProperty.fromList(
-                    meta_info["target_properties"], task_from_str=True
-                )
-        else:
-            raise FileNotFoundError(f"Metadata file '{path}' does not exist.")
-        return meta_info
-
     def __init__(
         self,
         base_dir: str,
         alg: Type | None = None,
-        data: QSPRDataset | None = None,
         name: str | None = None,
         parameters: dict | None = None,
         autoload=True,
+        random_state: int | None = None,
     ):
         """Initialize a QSPR model instance.
 
@@ -268,71 +144,61 @@ def __init__(
             base_dir (str):
                 base directory of the model,
                 the model files are stored in a subdirectory `{baseDir}/{outDir}/`
-            alg (Type): estimator class
-            data (QSPRDataset): data set used to train the model
+            alg (Type):
+                estimator class
             name (str): name of the model
             parameters (dict): dictionary of algorithm specific parameters
             autoload (bool):
                 if `True`, the estimator is loaded from the serialized file
                 if it exists, otherwise a new instance of alg is created
-        """
-        self.data = data
-        self.name = name or alg.__class__.__name__
-        self.baseDir = base_dir.rstrip("/")
-        # load metadata and update parameters accordingly
-        self.metaFile = f"{self.outPrefix}_meta.json"
-        if autoload:
-            try:
-                self.metaInfo = self.readMetadata(self.metaFile)
-            except FileNotFoundError:
-                if not self.data:
-                    raise FileNotFoundError(
-                        f"Metadata file '{self.metaFile}' not found"
-                    )
-                self.metaInfo = {}
-        else:
-            self.metaInfo = {}
-            if self.data is None:
-                raise ValueError(
-                    "No data set specified. Make sure you "
-                    "initialized this model with a 'QSPRDataset' "
-                    "instance to train on. Or if you want to load "
-                    "a model from file, set 'autoload' to True."
+            random_state (int):
+                Random state to use for shuffling and other random operations.
+        """
+        self.name = name or (alg.__class__.__name__ if alg else None)
+        if self.name is None:
+            raise ValueError("Model name not specified.")
+        self.baseDir = os.path.abspath(base_dir.rstrip("/"))
+        self.targetProperties = None
+        self.nTargets = None
+        self.featureCalculators = None
+        self.featureStandardizer = None
+        # initialize estimator
+        self.earlyStopping = EarlyStopping() if self.supportsEarlyStopping else None
+        if autoload and os.path.exists(self.metaFile):
+            new = self.fromFile(self.metaFile)
+            self.__dict__.update(new.__dict__)
+            self.name = name or (alg.__class__.__name__ if alg else None)
+            self.baseDir = os.path.abspath(base_dir.rstrip("/"))
+            if parameters:
+                logger.warning(
+                    f"Explicitly specified parameters ({parameters})"
+                    f"will override model settings read from file: {self.parameters}."
+                    f"Estimator will be reloaded with the new parameters "
+                    f"and will have to be re-fitted if fitted previously."
                 )
-        # get parameters from metadata if available
-        self.parameters = parameters
-        if self.metaInfo and not self.parameters:
-            self.parameters = self.readParams(
-                os.path.join(self.baseDir, self.metaInfo["parameters_path"])
-            )
-        # initialize a feature calculator instance
-        self.featureCalculators = (
-            self.data.descriptorCalculators
-            if self.data else self.readDescriptorCalculators(
-                [
-                    os.path.join(self.baseDir, path)
-                    for path in self.metaInfo["feature_calculator_paths"]
-                ]
-            )
-        )
-        # initialize a standardizer instance
-        self.featureStandardizer = (
-            self.data.feature_standardizer if self.data else self.readStandardizer(
-                os.path.join(self.baseDir, self.metaInfo["feature_standardizer_path"])
-            ) if self.metaInfo["feature_standardizer_path"] else None
-        )
-        # Initialize early stopping tracker if model supports early stopping
-        if self.supportsEarlyStopping:
-            self.earlyStopping = (
-                self.readEarlyStopping(
-                    os.path.join(self.baseDir, self.metaInfo["early_stopping_path"])
-                ) if "early_stopping_path" in self.metaInfo else EarlyStopping()
-            )
-
-        # initialize a estimator instance with the given parameters
-        self.alg = alg
-        if autoload:
-            self.estimator = self.loadEstimatorFromFile(params=self.parameters)
+                self.parameters = parameters
+                self.estimator = self.loadEstimator(self.parameters)
+            if random_state:
+                logger.warning(
+                    f"Explicitly specified random state ({random_state})"
+                    f"will override model settings read from file: {self.randomState}."
+                )
+                self.initRandomState(random_state)
+        else:
+            self.parameters = parameters
+            # initialize an estimator instance with the given parameters
+            self.alg = alg
+            # initialize random state
+            self.randomState = None
+            self.initRandomState(random_state)
+            # load the estimator
+            self.estimator = self.loadEstimator(self.parameters)
+        assert (
+            self.estimator is not None
+        ), "Estimator not initialized when it should be."
+        assert (
+            self.alg is not None
+        ), "Algorithm class not initialized when it should be."
 
     def __str__(self) -> str:
         """Return the name of the model and the underlying class as the identifier."""
@@ -344,19 +210,78 @@ def __str__(self) -> str:
             name = "None"
         return f"{self.name} ({name})"
 
-    @property
-    def targetProperties(self) -> list[TargetProperty]:
-        """Return the target properties of the model,
-        taken from the data set or deserialized
-        from file if the model is loaded without data.
+    def __setstate__(self, state):
+        """Set state."""
+        super().__setstate__(state)
+        if type(self.alg) is str:
+            self.alg = dynamic_import(self.alg)
+        self.estimator = self.loadEstimator(self.parameters)
 
-        Returns:
-            list[TargetProperty]: target properties of the model
-        """
-        return (
-            self.data.targetProperties
-            if self.data else self.metaInfo["target_properties"]
-        )
+    def initFromDataset(self, data: QSPRDataset | None):
+        if data is not None:
+            self.targetProperties = data.targetProperties
+            self.nTargets = len(self.targetProperties)
+            self.featureCalculators = data.descriptorSets
+            self.featureStandardizer = data.featureStandardizer
+            if self.randomState is None:
+                self.initRandomState(data.randomState)
+        else:
+            self.targetProperties = None
+            self.nTargets = None
+            self.featureCalculators = None
+            self.featureStandardizer = None
+
+    def initRandomState(self, random_state):
+        """Set random state if applicable.
+        Defaults to random state of dataset if no random state is provided,
+
+        Args:
+            random_state (int):
+                Random state to use for shuffling and other random operations.
+        """
+        if random_state is None:
+            self.randomState = int(np.random.randint(0, 2**32 - 1, dtype=np.int64))
+            logger.info(
+                "No random state supplied."
+                f"Setting random state to: {self.randomState}."
+            )
+        self.randomState = random_state
+        constructor_params = [
+            name for name, _ in inspect.signature(self.alg.__init__).parameters.items()
+        ]
+        common_params = ["random_state", "random_seed", "seed"]
+        random_param = None
+        for seed_param in common_params:
+            if seed_param not in constructor_params:
+                try:
+                    if self.parameters:
+                        params = {
+                            k: v for k, v in self.parameters.items() if k != seed_param
+                        }
+                        params[seed_param] = self.randomState
+                        self.alg(
+                            **params,
+                        )
+                    else:
+                        self.alg(**{seed_param: random_state})
+                    random_param = seed_param
+                    break
+                except TypeError:
+                    pass
+            else:
+                random_param = seed_param
+                break
+        if random_param is not None:
+            if self.parameters:
+                self.parameters.update({random_param: random_state})
+            else:
+                self.parameters = {random_param: random_state}
+            self.estimator = self.loadEstimator(self.parameters)
+        elif random_state:
+            logger.warning(
+                f"Random state supplied, but alg {self.alg} does not support it."
+                " Ignoring this setting."
+            )
 
     @property
     def task(self) -> ModelTasks:
@@ -387,19 +312,6 @@ def classPath(self) -> str:
         """
         return self.__class__.__module__ + "." + self.__class__.__name__
 
-    @property
-    def nTargets(self) -> int:
-        """Return the number of target properties of the model, taken from the data set
-        or deserialized from file if the model is loaded without data.
-
-        Returns:
-            int: number of target properties of the model
-        """
-        return (
-            len(self.data.targetProperties)
-            if self.data else len(self.metaInfo["target_properties"])
-        )
-
     @property
     def outDir(self) -> str:
         """Return output directory of the model,
@@ -422,6 +334,10 @@ def outPrefix(self) -> str:
         """
         return f"{self.outDir}/{self.name}"
 
+    @property
+    def metaFile(self) -> str:
+        return f"{self.outPrefix}_meta.json"
+
     @property
     @abstractmethod
     def supportsEarlyStopping(self) -> bool:
@@ -449,24 +365,7 @@ def optimalEpochs(self, value: int | None = None):
         """
         self._optimalEpochs = value
 
-    def saveParams(self, params: dict) -> str:
-        """Save model parameters to a JSON file.
-
-        Args:
-            params (dict): dictionary of model parameters
-
-        Returns:
-            str: absolute path to the JSON file
-        """
-        path = f"{self.outDir}/{self.name}_params.json"
-        self.setParams(params)
-        # save parameters to file
-        with open(path, "w", encoding="utf-8") as j:
-            logger.info("saving model parameters to file: %s" % path)
-            j.write(json.dumps(params, indent=4))
-        return path
-
-    def setParams(self, params):
+    def setParams(self, params: dict):
         """Set model parameters.
 
         Args:
@@ -477,99 +376,17 @@ def setParams(self, params):
         else:
             self.parameters = params
 
-    def saveDescriptorCalculators(self) -> list[str]:
-        """Save the current descriptor calculator to a JSON file.
-
-        The file is stored in the output directory of the model.
-
-        Returns:
-            list[str]:
-                absolute paths to the JSON files containing
-                the saved descriptor calculators
-        """
-        paths = []
-        for calc in self.featureCalculators:
-            path = f"{self.outDir}/{self.name}_descriptor_calculator_{calc}.json"
-            calc.toFile(path)
-            paths.append(path)
-        return paths
-
-    def saveStandardizer(self) -> str:
-        """Save the current feature standardizer to a JSON file.
-
-        The file is stored in the output directory of the model.
-
-        Returns:
-            str:
-                absolute path to the JSON file containing the saved feature standardizer
-        """
-        path = f"{self.outDir}/{self.name}_feature_standardizer.json"
-        self.featureStandardizer.toFile(path)
-        return path
-
-    def saveEarlyStopping(self) -> str:
-        path = f"{self.outDir}/{self.name}_early_stopping.json"
-        self.earlyStopping.toFile(path)
-        return path
-
-    def saveMetadata(self) -> str:
-        """Save model metadata to a JSON file.
-
-        The file is stored in the output directory of the model.
-
-        Returns:
-            str: absolute path to the JSON file containing the model metadata
-        """
-        with open(self.metaFile, "w", encoding="utf-8") as j:
-            logger.info("saving model metadata to file: %s" % self.metaFile)
-            j.write(json.dumps(self.metaInfo, indent=4))
-        return self.metaFile
-
-    def save(self) -> str:
-        """Save the model data, parameters, metadata and all other
-         files to the output directory of the model.
-
-        Returns:
-            str: absolute path to the JSON file containing the model metadata
-        """
-        self.metaInfo["name"] = self.name
-        self.metaInfo["version"] = VERSION
-        self.metaInfo["model_class"] = self.classPath
-        self.metaInfo["target_properties"] = TargetProperty.toList(
-            copy.deepcopy(self.data.targetProperties), task_as_str=True
-        )
-        self.metaInfo["parameters_path"] = self.saveParams(
-            self.parameters
-        ).replace(f"{self.baseDir}/", "")
-        self.metaInfo["feature_calculator_paths"] = (
-            [
-                x.replace(f"{self.baseDir}/", "")
-                for x in self.saveDescriptorCalculators()
-            ] if self.featureCalculators else None
-        )
-        self.metaInfo["feature_standardizer_path"] = (
-            self.saveStandardizer().replace(f"{self.baseDir}/", "")
-            if self.featureStandardizer else None
-        )
-        self.metaInfo["estimator_path"] = self.saveEstimator().replace(
-            f"{self.baseDir}/", ""
-        )
-        if self.supportsEarlyStopping:
-            self.metaInfo["early_stopping_path"] = self.saveEarlyStopping().replace(
-                f"{self.baseDir}/", ""
-            )
-        return self.saveMetadata()
-
-    def checkForData(self, exception: bool = True) -> bool:
+    def checkData(self, ds: QSPRDataset, exception: bool = True) -> bool:
         """Check if the model has a data set.
 
         Args:
+            ds (QSPRDataset): data set to check
             exception (bool): if true, an exception is raised if no data is set
 
         Returns:
             bool: True if data is set, False otherwise (if exception is False)
         """
-        has_data = self.data is not None
+        has_data = ds is not None
         if exception and not has_data:
             raise ValueError(
                 "No data set specified. "
@@ -593,7 +410,7 @@ def convertToNumpy(
                 data matrix and/or target matrix in np.ndarray format
         """
         if isinstance(X, QSPRDataset):
-            X = X.getFeatures(concat=True)
+            X = X.getFeatures(concat=True, refit_standardizer=False)
         if isinstance(X, pd.DataFrame):
             X = X.values
         if y is not None:
@@ -626,7 +443,7 @@ def getParameters(self, new_parameters) -> dict | None:
 
     def createPredictionDatasetFromMols(
         self,
-        mols: list[str],
+        mols: list[str | Mol],
         smiles_standardizer: str | Callable[[str], str] = "chembl",
         n_jobs: int = 1,
         fill_value: float = np.nan,
@@ -634,7 +451,7 @@ def createPredictionDatasetFromMols(
         """Create a `QSPRDataset` instance from a list of SMILES strings.
 
         Args:
-            mols (list): list of SMILES strings
+            mols (list[str | Mol]): list of SMILES strings
             smiles_standardizer (str, callable): smiles standardizer to use
             n_jobs (int): number of parallel jobs to use
             fill_value (float): value to fill for missing features
@@ -645,14 +462,17 @@ def createPredictionDatasetFromMols(
                 indicating which molecules failed to be processed
         """
         # make a molecule table first and add the target properties
+        if isinstance(mols[0], Mol):
+            mols = [Chem.MolToSmiles(mol) for mol in mols]
         dataset = MoleculeTable.fromSMILES(
             f"{self.__class__.__name__}_{hash(self)}",
             mols,
             drop_invalids=False,
             n_jobs=n_jobs,
         )
-        for targetproperty in self.targetProperties:
-            dataset.addProperty(targetproperty.name, np.nan)
+        for target_property in self.targetProperties:
+            target_property.imputer = None
+            dataset.addProperty(target_property.name, np.nan)
         # create the dataset and get failed molecules
         dataset = QSPRDataset.fromMolTable(
             dataset,
@@ -673,9 +493,9 @@ def createPredictionDatasetFromMols(
         )
         return dataset, failed_mask
 
-    def predictDataset(self,
-                       dataset: QSPRDataset,
-                       use_probas: bool = False) -> np.ndarray | list[np.ndarray]:
+    def predictDataset(
+        self, dataset: QSPRDataset, use_probas: bool = False
+    ) -> np.ndarray | list[np.ndarray]:
         """
         Make predictions for the given dataset.
 
@@ -700,28 +520,33 @@ def predictDataset(self,
 
     def predictMols(
         self,
-        mols: List[str],
+        mols: List[str | Mol],
         use_probas: bool = False,
         smiles_standardizer: Union[str, callable] = "chembl",
         n_jobs: int = 1,
         fill_value: float = np.nan,
+        use_applicability_domain: bool = False,
     ) -> np.ndarray | list[np.ndarray]:
         """
         Make predictions for the given molecules.
 
         Args:
-            mols (List[str]): list of SMILES strings
+            mols (List[str  | Mol]): list of SMILES strings
             use_probas (bool): use probabilities for classification models
             smiles_standardizer:
                 either `chembl`, `old`, or a partial function
                 that reads and standardizes smiles.
             n_jobs: Number of jobs to use for parallel processing.
             fill_value: Value to use for missing values in the feature matrix.
+            use_applicability_domain: Use applicability domain to return if a
+                molecule is within the applicability domain of the model.
 
         Returns:
             np.ndarray | list[np.ndarray]:
                 an array of predictions or a list of arrays of predictions
                 (for classification models with use_probas=True)
+            np.ndarray[bool]: boolean mask indicating which molecules fall
+                within the applicability domain of the model
         """
         if not self.featureCalculators:
             raise ValueError("No feature calculator set on this instance.")
@@ -733,6 +558,15 @@ def predictMols(
         predictions = self.predictDataset(dataset, use_probas)
         # handle invalids
         predictions = self.handleInvalidsInPredictions(mols, predictions, failed_mask)
+
+        # return predictions and if mols are within applicability domain if requested
+        if hasattr(self, "applicabilityDomain") and use_applicability_domain:
+            in_domain = self.applicabilityDomain.contains(
+                dataset.getFeatures(concat=True)
+            )
+            in_domain = self.handleInvalidsInPredictions(mols, in_domain, failed_mask)
+            return predictions, in_domain.values
+
         return predictions
 
     def cleanFiles(self):
@@ -743,7 +577,15 @@ def cleanFiles(self):
         if os.path.exists(self.outDir):
             shutil.rmtree(self.outDir)
 
-    def fitAttached(self, **kwargs) -> str:
+    def fitDataset(
+        self,
+        ds: QSPRDataset,
+        monitor=None,
+        mode=EarlyStoppingMode.OPTIMAL,
+        save_model=True,
+        save_data=False,
+        **kwargs,
+    ) -> str:
         """Train model on the whole attached data set.
 
         ** IMPORTANT ** For models that supportEarlyStopping, `CrossValAssessor`
@@ -751,40 +593,80 @@ def fitAttached(self, **kwargs) -> str:
         cross-validation with early stopping can be used for fitting the model.
 
         Args:
+            ds (QSPRDataset): data set to fit this model on
+            monitor (FitMonitor): monitor for the fitting process, if None, the base
+                monitor is used
+            mode (EarlyStoppingMode): early stopping mode for models that support
+                early stopping, by default fit the 'optimal' number of
+                epochs previously stopped at in model assessment on train or test set,
+                to avoid the use of extra data for a validation set.
+            save_model (bool): save the model to file
+            save_data (bool): save the supplied dataset to file
             kwargs: additional arguments to pass to fit
 
         Returns:
-            str: path to the saved model
+            str: path to the saved model, if `save_model` is True
         """
         # do some checks
-        self.checkForData()
+        self.checkData(ds)
+        # init properties from data
+        self.initFromDataset(ds)
         # get data
-        X_all = self.data.getFeatures(concat=True).values
-        y_all = self.data.getTargetPropertiesValues(concat=True).values
+        X_all = ds.getFeatures(concat=True).values
+        y_all = ds.getTargetPropertiesValues(concat=True).values
         # load estimator
         self.estimator = self.loadEstimator(self.parameters)
         # fit model
         logger.info(
             "Model fit started: %s" % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
-        # Use early stopping false here, since we are fitting on the whole data set
-        # the number of epochs is already determined from the cross-validation
-        self.estimator = self.fit(
-            X_all, y_all, mode=EarlyStoppingMode.OPTIMAL, **kwargs
-        )
+        self.estimator = self.fit(X_all, y_all, mode=mode, monitor=monitor, **kwargs)
         logger.info(
             "Model fit ended: %s" % datetime.now().strftime("%Y-%m-%d %H:%M:%S")
         )
+        if hasattr(ds, "applicabilityDomain") and ds.applicabilityDomain is not None:
+            ds.applicabilityDomain.fit(X_all)
+            self.applicabilityDomain = ds.applicabilityDomain
+        if save_data:
+            ds.save()
         # save model and return path
-        return self.save()
+        if save_model:
+            return self.save()
+
+    def toJSON(self):
+        o_dict = json.loads(super().toJSON())
+        estimator_path = self.saveEstimator()
+        estimator_path = estimator_path.replace(self.baseDir, ".")
+        o_dict["py/state"]["baseDir"] = "."
+        o_dict["py/state"]["estimator"] = estimator_path
+        o_dict["py/state"]["alg"] = f"{self.alg.__module__}.{self.alg.__name__}"
+        return json.dumps(o_dict, indent=4)
+
+    def save(self):
+        """Save model to file.
+
+        Returns:
+            str: absolute path to the saved model
+        """
+        os.makedirs(self.outDir, exist_ok=True)
+        return self.toFile(self.metaFile)
+
+    @classmethod
+    def fromFile(cls, filename: str) -> "QSPRModel":
+        ret = super().fromFile(filename)
+        model_dir = os.path.dirname(filename)
+        ret.baseDir = os.path.dirname(model_dir)
+        ret.estimator = ret.loadEstimatorFromFile(ret.parameters)
+        return ret
 
     @abstractmethod
     def fit(
         self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        y: pd.DataFrame | np.ndarray | QSPRDataset,
+        X: pd.DataFrame | np.ndarray,
+        y: pd.DataFrame | np.ndarray,
         estimator: Any = None,
         mode: EarlyStoppingMode = EarlyStoppingMode.NOT_RECORDING,
+        monitor: "FitMonitor" = None,
         **kwargs,
     ) -> Any | tuple[Any, int] | None:
         """Fit the model to the given data matrix or `QSPRDataset`.
@@ -800,10 +682,12 @@ def fit(
             argument is ignored.
 
         Args:
-            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit
-            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit
+            X (pd.DataFrame, np.ndarray): data matrix to fit
+            y (pd.DataFrame, np.ndarray): target matrix to fit
             estimator (Any): estimator instance to use for fitting
             mode (EarlyStoppingMode): early stopping mode
+            monitor (FitMonitor): monitor for the fitting process,
+                if None, the base monitor is used
             kwargs: additional arguments to pass to the fit method of the estimator
 
         Returns:
@@ -814,9 +698,7 @@ def fit(
 
     @abstractmethod
     def predict(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> np.ndarray:
         """Make predictions for the given data matrix or `QSPRDataset`.
 
@@ -838,9 +720,7 @@ def predict(
 
     @abstractmethod
     def predictProba(
-        self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        estimator: Any = None
+        self, X: pd.DataFrame | np.ndarray | QSPRDataset, estimator: Any = None
     ) -> list[np.ndarray]:
         """Make predictions for the given data matrix or `QSPRDataset`,
         but use probabilities for classification models. Does not work with
@@ -892,135 +772,5 @@ def saveEstimator(self) -> str:
         """Save the underlying estimator to file.
 
         Returns:
-            path (str): path to the saved estimator
-        """
-
-
-class ModelAssessor(ABC):
-    """Base class for assessment methods.
-
-    Attributes:
-        useProba (bool): use probabilities for classification models
-    """
-    def __init__(self, use_proba: bool = True, mode: EarlyStoppingMode | None = None):
-        """Initialize the evaluation method class.
-
-        Args:
-            use_proba (bool): use probabilities for classification models
-            mode (EarlyStoppingMode): early stopping mode for fitting
-        """
-        self.useProba = use_proba
-        self.mode = mode
-
-    @abstractmethod
-    def __call__(self, model: QSPRModel,
-                 **kwargs) -> list[tuple[np.ndarray, np.ndarray | list[np.ndarray]]]:
-        """Evaluate the model.
-
-        Args:
-            model (QSPRModel): model to evaluate
-            kwargs: additional arguments for fit function of the model
-
-        Returns:
-            list[tuple[np.ndarray, np.ndarray | list[np.ndarray]]:
-                list of tuples containing the true values and the predictions, where
-                each tuple corresponds a set of predictions such as different folds.
-        """
-
-    def savePredictionsToFile(
-        self,
-        model: QSPRModel,
-        y: np.array,
-        predictions: np.ndarray | list[np.ndarray],
-        index: pd.Series,
-        file_suffix: str,
-        extra_columns: dict[str, np.ndarray] | None = None,
-    ):
-        """Save predictions to file.
-
-        Args:
-            model (QSPRModel): model to evaluate
-            y (np.array): target values
-            predictions (np.ndarray | list[np.ndarray]): predictions
-            index (pd.Series): index of the data set
-            file_suffix (str): suffix to add to the file name
-            extra_columns (dict[str, np.ndarray]): extra columns to add to the output
-        """
-        # Create dataframe with true values
-        df_out = pd.DataFrame(
-            y.values, columns=y.add_suffix("_Label").columns, index=index
-        )
-        # Add predictions to dataframe
-        for idx, prop in enumerate(model.data.targetProperties):
-            if prop.task.isClassification():
-                # convert one-hot encoded predictions to class labels
-                # and add to train and test
-                df_out[f"{prop.name}_Prediction"] = np.argmax(predictions[idx], axis=1)
-                # add probability columns to train and test set
-                df_out = pd.concat(
-                    [
-                        df_out,
-                        pd.DataFrame(predictions[idx], index=index
-                                    ).add_prefix(f"{prop.name}_ProbabilityClass_"),
-                    ],
-                    axis=1,
-                )
-            else:
-                df_out[f"{prop.name}_Prediction"] = predictions[:, idx]
-        # Add extra columns to dataframe if given (such as fold indexes)
-        if extra_columns is not None:
-            for col_name, col_values in extra_columns.items():
-                df_out[col_name] = col_values
-        df_out.to_csv(f"{model.outPrefix}.{file_suffix}.tsv", sep="\t")
-
-
-class HyperParameterOptimization(ABC):
-    """Base class for hyperparameter optimization.
-
-    Attributes:
-        scoreFunc (Metric): scoring function to use, should match the output of the
-                            evaluation method (e.g. if the evaluation methods returns
-                            class probabilities, the scoring function support class
-                            probabilities)
-        runAssessment (ModelAssessor): evaluation method to use
-        scoreAggregation (Callable[[Iterable], float]): function to aggregate scores
-        paramGrid (dict): dictionary of parameters to optimize
-        bestScore (float): best score found during optimization
-        bestParams (dict): best parameters found during optimization
-    """
-    def __init__(
-        self,
-        scoring: str | Callable[[Iterable, Iterable], float],
-        param_grid: dict,
-        model_assessor: ModelAssessor,
-        score_aggregation: Callable[[Iterable], float],
-    ):
-        """Initialize the hyperparameter optimization class.
-
-        scoring (str | Callable[[Iterable, Iterable], float]):
-            Metric name from `sklearn.metrics` or user-defined scoring function.
-        param_grid (dict):
-            dictionary of parameters to optimize
-        model_assessor (ModelAssessor):
-            assessment method to use for determining the best parameters
-        score_aggregation (Callable[[Iterable], float]): function to aggregate scores
-        """
-        self.scoreFunc = (
-            SklearnMetric.getMetric(scoring) if type(scoring) == str else scoring
-        )
-        self.runAssessment = model_assessor
-        self.scoreAggregation = score_aggregation
-        self.paramGrid = param_grid
-        self.bestScore = -np.inf
-        self.bestParams = None
-
-    @abstractmethod
-    def optimize(self, model: QSPRModel) -> dict:
-        """Optimize the model hyperparameters.
-
-        Args:
-            model (QSPRModel): model to optimize
-
-        Returns:
-            dict: dictionary of best parameters
+            path (str): absolute path to the saved estimator
         """
diff --git a/qsprpred/models/monitors.py b/qsprpred/models/monitors.py
new file mode 100644
index 00000000..f4648c62
--- /dev/null
+++ b/qsprpred/models/monitors.py
@@ -0,0 +1,1138 @@
+import json
+import os
+from abc import ABC, abstractmethod
+from copy import deepcopy
+from typing import Any
+
+import numpy as np
+import pandas as pd
+from rdkit import Chem
+from rdkit.Chem import Draw
+
+from .models import QSPRModel
+from ..data.tables.qspr import QSPRDataset
+from ..utils.serialization import JSONSerializable
+
+
+class FitMonitor(JSONSerializable, ABC):
+    """Base class for monitoring the fitting of a model."""
+
+    @abstractmethod
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to be fitted
+            X_train (np.ndarray): training data
+            y_train (np.ndarray): training targets
+            X_val (np.ndarray | None): validation data, used for early stopping
+            y_val (np.ndarray | None): validation targets, used for early stopping
+        """
+
+    @abstractmethod
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+
+    @abstractmethod
+    def onEpochStart(self, epoch: int):
+        """Called before each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+        """
+
+    @abstractmethod
+    def onEpochEnd(self, epoch: int, train_loss: float, val_loss: float | None = None):
+        """Called after each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+            train_loss (float): loss of the current epoch
+            val_loss (float | None): validation loss of the current epoch
+        """
+
+    @abstractmethod
+    def onBatchStart(self, batch: int):
+        """Called before each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+        """
+
+    @abstractmethod
+    def onBatchEnd(self, batch: int, loss: float):
+        """Called after each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+            loss (float): loss of the current batch
+        """
+
+
+class AssessorMonitor(FitMonitor):
+    """Base class for monitoring the assessment of a model."""
+
+    @abstractmethod
+    def onAssessmentStart(
+        self, model: QSPRModel, data: QSPRDataset, assesment_type: str
+    ):
+        """Called before the assessment has started.
+
+        Args:
+            model (QSPRModel): model to assess
+            data (QSPRDataset): data set used in assessment
+            assesment_type (str): type of assessment
+        """
+
+    @abstractmethod
+    def onAssessmentEnd(self, predictions: pd.DataFrame):
+        """Called after the assessment has finished.
+
+        Args:
+            predictions (pd.DataFrame): predictions of the assessment
+        """
+
+    @abstractmethod
+    def onFoldStart(
+        self,
+        fold: int,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_test: np.ndarray,
+        y_test: np.ndarray,
+    ):
+        """Called before each fold of the assessment.
+
+        Args:
+            fold (int): index of the current fold
+            X_train (np.ndarray): training data of the current fold
+            y_train (np.ndarray): training targets of the current fold
+            X_test (np.ndarray): test data of the current fold
+            y_test (np.ndarray): test targets of the current fold
+        """
+
+    @abstractmethod
+    def onFoldEnd(
+        self, model_fit: Any | tuple[Any, int], fold_predictions: pd.DataFrame
+    ):
+        """Called after each fold of the assessment.
+
+        Args:
+            model_fit (Any|tuple[Any, int]): fitted estimator of the current fold, or
+                                             tuple containing the fitted estimator and
+                                             the number of epochs it was trained for
+        """
+
+
+class HyperparameterOptimizationMonitor(AssessorMonitor):
+    """Base class for monitoring the hyperparameter optimization of a model."""
+
+    @abstractmethod
+    def onOptimizationStart(
+        self, model: QSPRModel, data: QSPRDataset, config: dict, optimization_type: str
+    ):
+        """Called before the hyperparameter optimization has started.
+
+        Args:
+            model (QSPRModel): model to optimize
+            data (QSPRDataset): data set used in optimization
+            config (dict): configuration of the hyperparameter optimization
+            optimization_type (str): type of hyperparameter optimization
+        """
+
+    @abstractmethod
+    def onOptimizationEnd(self, best_score: float, best_parameters: dict):
+        """Called after the hyperparameter optimization has finished.
+
+        Args:
+            best_score (float): best score found during optimization
+            best_parameters (dict): best parameters found during optimization
+        """
+
+    @abstractmethod
+    def onIterationStart(self, params: dict):
+        """Called before each iteration of the hyperparameter optimization.
+
+        Args:
+            params (dict): parameters used for the current iteration
+        """
+
+    @abstractmethod
+    def onIterationEnd(self, score: float, scores: list[float]):
+        """Called after each iteration of the hyperparameter optimization.
+
+        Args:
+            score (float): (aggregated) score of the current iteration
+            scores (list[float]): scores of the current iteration
+                                  (e.g for cross-validation)
+        """
+
+
+class NullMonitor(HyperparameterOptimizationMonitor):
+    """Monitor that does nothing."""
+
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to be fitted
+            X_train (np.ndarray): training data
+            y_train (np.ndarray): training targets
+            X_val (np.ndarray | None): validation data, used for early stopping
+            y_val (np.ndarray | None): validation targets, used for early stopping
+        """
+
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+
+    def onEpochStart(self, epoch: int):
+        """Called before each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+        """
+
+    def onEpochEnd(self, epoch: int, train_loss: float, val_loss: float | None = None):
+        """Called after each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+            train_loss (float): loss of the current epoch
+            val_loss (float | None): validation loss of the current epoch
+        """
+
+    def onBatchStart(self, batch: int):
+        """Called before each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+        """
+
+    def onBatchEnd(self, batch: int, loss: float):
+        """Called after each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+            loss (float): loss of the current batch
+        """
+
+    def onAssessmentStart(
+        self, model: QSPRModel, data: QSPRDataset, assesment_type: str
+    ):
+        """Called before the assessment has started.
+
+        Args:
+            model (QSPRModel): model to assess
+            data (QSPRDataset): data set used in assessment
+            assesment_type (str): type of assessment
+        """
+
+    def onAssessmentEnd(self, predictions: pd.DataFrame):
+        """Called after the assessment has finished.
+
+        Args:
+            predictions (pd.DataFrame): predictions of the assessment
+        """
+
+    def onFoldStart(
+        self,
+        fold: int,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_test: np.ndarray,
+        y_test: np.ndarray,
+    ):
+        """Called before each fold of the assessment.
+
+        Args:
+            fold (int): index of the current fold
+            X_train (np.ndarray): training data of the current fold
+            y_train (np.ndarray): training targets of the current fold
+            X_test (np.ndarray): test data of the current fold
+            y_test (np.ndarray): test targets of the current fold
+        """
+
+    def onFoldEnd(
+        self, model_fit: Any | tuple[Any, int], fold_predictions: pd.DataFrame
+    ):
+        """Called after each fold of the assessment.
+
+        Args:
+            model_fit (Any|tuple[Any, int]): fitted estimator of the current fold, or
+                                             tuple containing the fitted estimator and
+                                             the number of epochs it was trained for
+        """
+
+    def onOptimizationStart(
+        self, model: QSPRModel, data: QSPRDataset, config: dict, optimization_type: str
+    ):
+        """Called before the hyperparameter optimization has started.
+
+        Args:
+            model (QSPRModel): model to optimize
+            data (QSPRDataset): data set used in optimization
+            config (dict): configuration of the hyperparameter optimization
+            optimization_type (str): type of hyperparameter optimization
+        """
+
+    def onOptimizationEnd(self, best_score: float, best_parameters: dict):
+        """Called after the hyperparameter optimization has finished.
+
+        Args:
+            best_score (float): best score found during optimization
+            best_parameters (dict): best parameters found during optimization
+        """
+
+    def onIterationStart(self, params: dict):
+        """Called before each iteration of the hyperparameter optimization.
+
+        Args:
+            params (dict): parameters used for the current iteration
+        """
+
+    def onIterationEnd(self, score: float, scores: list[float]):
+        """Called after each iteration of the hyperparameter optimization.
+
+        Args:
+            score (float): (aggregated) score of the current iteration
+            scores (list[float]): scores of the current iteration
+                                  (e.g for cross-validation)
+        """
+
+
+class ListMonitor(HyperparameterOptimizationMonitor):
+    """Monitor that combines multiple monitors.
+
+    Attributes:
+        monitors (list[HyperparameterOptimizationMonitor]): list of monitors
+    """
+
+    def __init__(self, monitors: list[HyperparameterOptimizationMonitor]):
+        """Initialize the monitor.
+
+        Args:
+            monitors (list[HyperparameterOptimizationMonitor]): list of monitors
+        """
+        self.monitors = monitors
+
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to be fitted
+            X_train (np.ndarray): training data
+            y_train (np.ndarray): training targets
+            X_val (np.ndarray | None): validation data, used for early stopping
+            y_val (np.ndarray | None): validation targets, used for early stopping
+        """
+        for monitor in self.monitors:
+            monitor.onFitStart(model, X_train, y_train, X_val, y_val)
+
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+        for monitor in self.monitors:
+            monitor.onFitEnd(estimator, best_epoch)
+
+    def onEpochStart(self, epoch: int):
+        """Called before each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+        """
+        for monitor in self.monitors:
+            monitor.onEpochStart(epoch)
+
+    def onEpochEnd(self, epoch: int, train_loss: float, val_loss: float | None = None):
+        """Called after each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+            train_loss (float): loss of the current epoch
+            val_loss (float | None): validation loss of the current epoch
+        """
+        for monitor in self.monitors:
+            monitor.onEpochEnd(epoch, train_loss, val_loss)
+
+    def onBatchStart(self, batch: int):
+        """Called before each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+        """
+        for monitor in self.monitors:
+            monitor.onBatchStart(batch)
+
+    def onBatchEnd(self, batch: int, loss: float):
+        """Called after each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+            loss (float): loss of the current batch
+        """
+        for monitor in self.monitors:
+            monitor.onBatchEnd(batch, loss)
+
+    def onAssessmentStart(
+        self, model: QSPRModel, data: QSPRDataset, assesment_type: str
+    ):
+        """Called before the assessment has started.
+
+        Args:
+            model (QSPRModel): model to assess
+            data (QSPRDataset): data set used in assessment
+            assesment_type (str): type of assessment
+        """
+        for monitor in self.monitors:
+            monitor.onAssessmentStart(model, data, assesment_type)
+
+    def onAssessmentEnd(self, predictions: pd.DataFrame):
+        """Called after the assessment has finished.
+
+        Args:
+            predictions (pd.DataFrame): predictions of the assessment
+        """
+        for monitor in self.monitors:
+            monitor.onAssessmentEnd(predictions)
+
+    def onFoldStart(
+        self,
+        fold: int,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_test: np.ndarray,
+        y_test: np.ndarray,
+    ):
+        """Called before each fold of the assessment.
+
+        Args:
+            fold (int): index of the current fold
+            X_train (np.ndarray): training data of the current fold
+            y_train (np.ndarray): training targets of the current fold
+            X_test (np.ndarray): test data of the current fold
+            y_test (np.ndarray): test targets of the current fold
+        """
+        for monitor in self.monitors:
+            monitor.onFoldStart(fold, X_train, y_train, X_test, y_test)
+
+    def onFoldEnd(
+        self, model_fit: Any | tuple[Any, int], fold_predictions: pd.DataFrame
+    ):
+        """Called after each fold of the assessment.
+
+        Args:
+            model_fit (Any|tuple[Any, int]): fitted estimator of the current fold, or
+                                             tuple containing the fitted estimator and
+                                             the number of epochs it was trained for
+        """
+        for monitor in self.monitors:
+            monitor.onFoldEnd(model_fit, fold_predictions)
+
+    def onOptimizationStart(
+        self, model: QSPRModel, data: QSPRDataset, config: dict, optimization_type: str
+    ):
+        """Called before the hyperparameter optimization has started.
+
+        Args:
+            model (QSPRModel): model to optimize
+            data (QSPRDataset): data set used in optimization
+            config (dict): configuration of the hyperparameter optimization
+            optimization_type (str): type of hyperparameter optimization
+        """
+        for monitor in self.monitors:
+            monitor.onOptimizationStart(model, data, config, optimization_type)
+
+    def onOptimizationEnd(self, best_score: float, best_parameters: dict):
+        """Called after the hyperparameter optimization has finished.
+
+        Args:
+            best_score (float): best score found during optimization
+            best_parameters (dict): best parameters found during optimization
+        """
+        for monitor in self.monitors:
+            monitor.onOptimizationEnd(best_score, best_parameters)
+
+    def onIterationStart(self, params: dict):
+        """Called before each iteration of the hyperparameter optimization.
+
+        Args:
+            params (dict): parameters used for the current iteration
+        """
+        for monitor in self.monitors:
+            monitor.onIterationStart(params)
+
+    def onIterationEnd(self, score: float, scores: list[float]):
+        """Called after each iteration of the hyperparameter optimization.
+
+        Args:
+            score (float): (aggregated) score of the current iteration
+            scores (list[float]): scores of the current iteration
+                                  (e.g for cross-validation)
+        """
+        for monitor in self.monitors:
+            monitor.onIterationEnd(score, scores)
+
+
+class BaseMonitor(HyperparameterOptimizationMonitor):
+    """Base monitoring the fitting, training and optimization of a model.
+
+    Information about the fitting, training and optimization process is stored
+    internally, but not logged. This class can be used as a base class for other
+    other monitors that do log the information elsewhere.
+
+    If used to monitor hyperparameter optimization, the information about the
+    underlying assessments and fits is stored in the assessments and fits
+    attributes, respectively. If used to monitor assessment, the information
+    about the fits is stored in the fits attribute.
+
+    Attributes:
+        config (dict): configuration of the hyperparameter optimization
+        bestScore (float): best score found during optimization
+        bestParameters (dict): best parameters found during optimization
+        assessments (dict): dictionary of assessments, keyed by the iteration number
+            (each assessment includes: assessmentModel, assessmentDataset, foldData,
+                predictions, estimators, fits)
+        scores (pd.DataFrame): scores for each hyperparameter search iteration
+        model (QSPRModel): model to optimize
+        data (QSPRDataset): dataset used in optimization
+
+        assessmentType (str): type of current assessment
+        assessmentModel (QSPRModel): model to assess in current assessment
+        assessmentDataset (QSPRDataset): data set used in current assessment
+        foldData (dict): dictionary of input data, keyed by the fold index, of the
+            current assessment
+        predictions (pd.DataFrame): predictions for the dataset of the current assessment
+        estimators (dict): dictionary of fitted estimators, keyed by the fold index of
+            the current assessment
+        currentFold (int): index of the current fold of the
+            current assessment
+        fits (dict): dictionary of fit data, keyed by the fold index of the current
+            assessment (each fit includes: fitData, fitLog, batchLog, bestEstimator,
+                bestEpoch)
+
+        fitData (dict): dictionary of input data of the current fit of the current
+            assessment
+        fitModel (QSPRModel): model to fit in current fit of the current assessment
+        fitLog (pd.DataFrame): log of the training process of the current fit of the
+            current assessment
+        batchLog (pd.DataFrame): log of the training process per batch of the current
+            fit of the current assessment
+        currentEpoch (int): index of the current epoch of the current fit of the current
+            assessment
+        currentBatch (int): index of the current batch of the current fit of the current
+            assessment
+        bestEstimator (Any): best estimator of the current fit of the current
+            assessment
+        bestEpoch (int): index of the best epoch of the current fit of the current
+            assessment
+    """
+
+    def __init__(self):
+        self.data = None
+        self.model = None
+        self.optimizationType = None
+        # hyperparameter optimization data
+        self.config = None
+        self.bestScore = None
+        self.bestParameters = None
+        self.parameters = {}
+        self.assessments = {}
+        self.scores = pd.DataFrame(
+            columns=["aggregated_score", "fold_scores"]
+        ).rename_axis("Iteration")
+        self.iteration = None
+
+        # assessment data
+        self.assessmentModel = None
+        self.assessmentDataset = None
+        self.foldData = {}
+        self.predictions = None
+        self.estimators = {}
+        self.currentFold = None
+        self.fits = {}
+
+        # fit data
+        self.fitModel = None
+        self.fitData = None
+        self.fitLog = pd.DataFrame(columns=["epoch", "train_loss", "val_loss"])
+        self.batchLog = pd.DataFrame(columns=["epoch", "batch", "loss"])
+        self.currentEpoch = None
+        self.currentBatch = None
+        self.bestEstimator = None
+        self.bestEpoch = None
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        # convert all data frames to dicts
+        for key, value in o_dict.items():
+            if isinstance(value, pd.DataFrame):
+                o_dict[key] = {"pd.DataFrame": value.to_dict()}
+        return o_dict
+
+    def __setstate__(self, state):
+        # convert all dicts to data frames
+        for key, value in state.items():
+            if isinstance(value, dict) and "pd.DataFrame" in value:
+                state[key] = pd.DataFrame.from_dict(value["pd.DataFrame"])
+        super().__setstate__(state)
+
+    def onOptimizationStart(
+        self, model: QSPRModel, data: QSPRDataset, config: dict, optimization_type: str
+    ):
+        """Called before the hyperparameter optimization has started.
+
+        Args:
+            model (QSPRModel): model to optimize
+            data (QSPRDataset): data set used in optimization
+            config (dict): configuration of the hyperparameter optimization
+            optimization_type (str): type of hyperparameter optimization
+        """
+        self.optimizationType = optimization_type
+        self.iteration = 0
+        self.model = model
+        self.data = data
+        self.config = config
+
+    def onOptimizationEnd(self, best_score: float, best_parameters: dict):
+        """Called after the hyperparameter optimization has finished.
+
+        Args:
+            best_score (float): best score found during optimization
+            best_parameters (dict): best parameters found during optimization
+        """
+        self.bestScore = best_score
+        self.bestParameters = best_parameters
+
+    def onIterationStart(self, params: dict):
+        """Called before each iteration of the hyperparameter optimization.
+
+        Args:
+            params (dict): parameters used for the current iteration
+        """
+        self.parameters[self.iteration] = params
+
+    def onIterationEnd(self, score: float, scores: list[float]):
+        """Called after each iteration of the hyperparameter optimization.
+
+        Args:
+            score (float): (aggregated) score of the current iteration
+            scores (list[float]): scores of the current iteration
+                                  (e.g for cross-validation)
+        """
+        self.scores.loc[self.iteration] = [score, scores]
+        self.assessments[self.iteration] = self._get_assessment()
+        self._clear_assessment()
+        self.iteration += 1
+
+    def onAssessmentStart(
+        self, model: QSPRModel, data: QSPRDataset, assesment_type: str
+    ):
+        """Called before the assessment has started.
+
+        Args:
+            model (QSPRModel): model to assess
+            data (QSPRDataset): data set used in assessment
+            assesment_type (str): type of assessment
+        """
+        self.assessmentModel = model
+        self.assessmentDataset = data
+        self.assessmentType = assesment_type
+
+    def onAssessmentEnd(self, predictions: pd.DataFrame):
+        """Called after the assessment has finished.
+
+        Args:
+            predictions (pd.DataFrame): predictions of the assessment
+        """
+        self.predictions = predictions
+
+    def onFoldStart(
+        self,
+        fold: int,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_test: np.ndarray,
+        y_test: np.ndarray,
+    ):
+        """Called before each fold of the assessment.
+
+        Args:
+            fold (int): index of the current fold
+            X_train (np.ndarray): training data of the current fold
+            y_train (np.ndarray): training targets of the current fold
+            X_test (np.ndarray): test data of the current fold
+            y_test (np.ndarray): test targets of the current fold
+        """
+        self.currentFold = fold
+        self.foldData[fold] = {
+            "X_train": X_train,
+            "y_train": y_train,
+            "X_test": X_test,
+            "y_test": y_test,
+        }
+
+    def onFoldEnd(
+        self, model_fit: Any | tuple[Any, int], fold_predictions: pd.DataFrame
+    ):
+        """Called after each fold of the assessment.
+
+        Args:
+            model_fit (Any|tuple[Any, int]): fitted estimator of the current fold, or
+                                             tuple containing the fitted estimator and
+                                             the number of epochs it was trained for
+            fold_predictions (pd.DataFrame): predictions of the current fold
+        """
+        self.estimators[self.currentFold] = model_fit
+        self.fits[self.currentFold] = self._getFit()
+        self._clearFit()
+
+    def _clear_assessment(self):
+        """Clear the assessment data."""
+        self.assessmentModel = None
+        self.asssessmentDataset = None
+        self.foldData = {}
+        self.predictions = None
+        self.estimators = {}
+        self.fits = {}
+
+    def _get_assessment(self) -> tuple[QSPRModel, QSPRDataset, pd.DataFrame, dict]:
+        """Return the assessment data."""
+        return {
+            "assessmentModel": self.assessmentModel,
+            "assessmentDataset": self.assessmentDataset,
+            "foldData": self.foldData,
+            "predictions": self.predictions,
+            "estimators": self.estimators,
+            "fits": self.fits,
+        }
+
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to be fitted
+            data (QSPRDataset): data set used in training
+            X_train (np.ndarray): training data
+            y_train (np.ndarray): training targets
+            X_val (np.ndarray | None): validation data, used for early stopping
+            y_val (np.ndarray | None): validation targets, used for early stopping
+        """
+        self.fitModel = model
+        self.fitData = {
+            "X_train": X_train,
+            "y_train": y_train,
+            "X_val": X_val,
+            "y_val": y_val,
+        }
+        self.currentEpoch = 0
+        self.currentBatch = 0
+
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+        self.bestEstimator = estimator
+        self.bestEpoch = best_epoch
+
+    def onEpochStart(self, epoch: int):
+        """Called before each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+        """
+        self.currentEpoch = epoch
+
+    def onEpochEnd(self, epoch: int, train_loss: float, val_loss: float | None = None):
+        """Called after each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+            train_loss (float): loss of the current epoch
+            val_loss (float | None): validation loss of the current epoch
+        """
+        self.fitLog.loc[epoch] = [epoch, train_loss, val_loss]
+
+    def onBatchStart(self, batch: int):
+        """Called before each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+        """
+        self.currentBatch = batch
+
+    def onBatchEnd(self, batch: int, loss: float):
+        """Called after each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+            loss (float): loss of the current batch
+        """
+        self.batchLog.loc[len(self.batchLog)] = [self.currentEpoch, batch, loss]
+
+    def _clearFit(self):
+        self.fitLog = pd.DataFrame(columns=["epoch", "train_loss", "val_loss"])
+        self.batchLog = pd.DataFrame(columns=["epoch", "batch", "loss"])
+        self.fitData = None
+        self.currentEpoch = None
+        self.currentBatch = None
+        self.bestEstimator = None
+        self.bestEpoch = None
+
+    def _getFit(self) -> tuple[pd.DataFrame, pd.DataFrame, Any, int]:
+        return {
+            "fitData": self.fitData,
+            "fitLog": self.fitLog,
+            "batchLog": self.batchLog,
+            "bestEstimator": self.bestEstimator,
+            "bestEpoch": self.bestEpoch,
+        }
+
+
+class FileMonitor(BaseMonitor):
+    def __init__(
+        self,
+        save_optimization: bool = True,
+        save_assessments: bool = True,
+        save_fits: bool = True,
+    ):
+        """Monitor hyperparameter optimization, assessment and fitting to files.
+
+        Args:
+            save_optimization (bool): whether to save the hyperparameter optimization
+                scores
+            save_assessments (bool): whether to save assessment predictions
+            save_fits (bool): whether to save the fit log and batch log
+        """
+        super().__init__()
+        self.saveOptimization = save_optimization
+        self.saveAssessments = save_assessments
+        self.saveFits = save_fits
+        self.outDir = None
+
+    def onOptimizationStart(
+        self, model: QSPRModel, data: QSPRDataset, config: dict, optimization_type: str
+    ):
+        """Called before the hyperparameter optimization has started.
+
+        Args:
+            model (QSPRModel): model to optimize
+            data (QSPRDataset): data set used in optimization
+            config (dict): configuration of the hyperparameter optimization
+            optimization_type (str): type of hyperparameter optimization
+        """
+        super().onOptimizationStart(model, data, config, optimization_type)
+        self.outDir = self.outDir or model.outDir
+        self.optimizationPath = f"{self.outDir}/{self.optimizationType}"
+
+    def onIterationStart(self, params: dict):
+        """Called before each iteration of the hyperparameter optimization.
+
+        Args:
+            params (dict): parameters used for the current iteration
+        """
+        super().onIterationStart(params)
+        self.optimizationItPath = f"{self.optimizationPath}/iteration_{self.iteration}"
+
+    def onIterationEnd(self, score: float, scores: list[float]):
+        """Called after each iteration of the hyperparameter optimization.
+
+        Args:
+            score (float): (aggregated) score of the current iteration
+            scores (list[float]): scores of the current iteration
+                                  (e.g for cross-validation)
+        """
+        if self.saveAssessments:
+            # save parameters to json
+            with open(f"{self.optimizationItPath}/parameters.json", "w") as f:
+                json.dump(self.parameters[self.iteration], f)
+        super().onIterationEnd(score, scores)
+        if self.saveOptimization:
+            # add parameters to scores with separate columns
+            savescores = pd.concat(
+                [self.scores, pd.DataFrame(self.parameters).T], axis=1
+            )
+            savescores.to_csv(
+                f"{self.optimizationPath}/{self.optimizationType}_scores.tsv",
+                sep="\t",
+                index=False,
+            )
+
+    def onAssessmentStart(
+        self, model: QSPRModel, data: QSPRDataset, assesment_type: str
+    ):
+        """Called before the assessment has started.
+
+        Args:
+            model (QSPRModel): model to assess
+            data (QSPRDataset): data set used in assessment
+            assesment_type (str): type of assessment
+        """
+        super().onAssessmentStart(model, data, assesment_type)
+        self.outDir = self.outDir or model.outDir
+        if self.saveAssessments:
+            if self.iteration is not None:
+                self.assessmentPath = f"{self.optimizationItPath}/{self.assessmentType}"
+            else:
+                self.assessmentPath = f"{self.outDir}/{self.assessmentType}"
+            os.makedirs(self.assessmentPath, exist_ok=True)
+
+    def onAssessmentEnd(self, predictions: pd.DataFrame):
+        """Called after the assessment has finished.
+
+        Args:
+            predictions (pd.DataFrame): predictions of the assessment
+        """
+        super().onAssessmentEnd(predictions)
+        if self.saveAssessments:
+            predictions.to_csv(
+                f"{self.assessmentPath}/{self.assessmentType}_predictions.tsv", sep="\t"
+            )
+
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to be fitted
+            X_train (np.ndarray): training data
+            y_train (np.ndarray): training targets
+            X_val (np.ndarray | None): validation data, used for early stopping
+            y_val (np.ndarray | None): validation targets, used for early stopping
+        """
+        super().onFitStart(model, X_train, y_train, X_val, y_val)
+        self.outDir = self.outDir or model.outDir
+        self.fitPath = self.outDir
+        if self.saveFits:
+            if self.iteration is not None:
+                self.fitPath = f"{self.optimizationItPath}"
+            if self.currentFold is not None:
+                self.fitPath = (
+                    f"{self.fitPath}/{self.assessmentType}/fold_{self.currentFold}"
+                )
+            os.makedirs(self.fitPath, exist_ok=True)
+
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+        super().onFitEnd(estimator, best_epoch)
+        if self.saveFits:
+            self.fitLog.to_csv(f"{self.fitPath}/fit_log.tsv", sep="\t")
+            self.batchLog.to_csv(f"{self.fitPath}/batch_log.tsv", sep="\t")
+
+
+class WandBMonitor(BaseMonitor):
+    """Monitor hyperparameter optimization to weights and biases."""
+
+    def __init__(self, project_name: str, **kwargs):
+        """Monitor assessment to weights and biases.
+
+        Args:
+            project_name (str): name of the project to log to
+            kwargs: additional keyword arguments for wandb.init
+        """
+        super().__init__()
+        try:
+            import wandb
+        except ImportError:
+            raise ImportError("WandBMonitor requires wandb to be installed.")
+        self.wandb = wandb
+
+        wandb.login()
+
+        self.projectName = project_name
+        self.kwargs = kwargs
+
+    def onFoldStart(
+        self,
+        fold: int,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_test: np.ndarray,
+        y_test: np.ndarray,
+    ):
+        """Called before each fold of the assessment.
+
+        Args:
+            fold (int): index of the current fold
+            X_train (np.ndarray): training data of the current fold
+            y_train (np.ndarray): training targets of the current fold
+            X_test (np.ndarray): test data of the current fold
+            y_test (np.ndarray): test targets of the current fold
+        """
+        super().onFoldStart(fold, X_train, y_train, X_test, y_test)
+        config = {
+            "fold": fold,
+            "model": self.assessmentModel.name,
+            "assessmentType": self.assessmentType,
+        }
+        # add hyperparameter optimization parameters if available
+        if hasattr(self, "optimizationType"):
+            config["optimizationType"] = self.optimizationType
+            config.update(self.parameters[self.iteration])
+            config["hyperParamOpt_iteration"] = self.iteration
+        else:
+            config["optimizationType"] = None
+
+        group = (
+            f"{self.model.name}_{self.optimizationType}_{self.iteration}"
+            if hasattr(self, "optimizationType")
+            else f"{self.assessmentModel.name}"
+        )
+        name = f"{group}_{self.assessmentType}_{fold}"
+
+        self.wandb.init(
+            project=self.projectName,
+            config=config,
+            name=name,
+            group=group,
+            dir=f"{self.assessmentModel.outDir}",
+            **self.kwargs,
+        )
+
+    def onFoldEnd(
+        self, model_fit: Any | tuple[Any, int], fold_predictions: pd.DataFrame
+    ):
+        """Called after each fold of the assessment.
+
+        Args:
+            model_fit (Any |tuple[Any, int]):
+                fitted estimator of the current fold
+        """
+        super().onFoldEnd(model_fit, fold_predictions)
+
+        fold_predictions_copy = deepcopy(fold_predictions)
+
+        # add smiles to fold predictions by merging on index
+        dataset_smiles = self.assessmentDataset.getDF()[
+            self.assessmentDataset.smilesCol
+        ]
+        fold_predictions_copy = fold_predictions_copy.merge(
+            dataset_smiles, left_index=True, right_index=True
+        )
+
+        fold_predictions_copy["molecule"] = None
+        for index, row in fold_predictions_copy.iterrows():
+            mol = Chem.MolFromSmiles(row[self.assessmentDataset.smilesCol])
+            if mol is not None:
+                fold_predictions_copy.at[index, "molecule"] = self.wandb.Image(
+                    Draw.MolToImage(mol, size=(200, 200))
+                )
+
+        wandbTable = self.wandb.Table(data=fold_predictions_copy)
+
+        self.wandb.log({"Test Results": wandbTable})
+        self.wandb.finish()
+
+    def onFitStart(
+        self,
+        model: QSPRModel,
+        X_train: np.ndarray,
+        y_train: np.ndarray,
+        X_val: np.ndarray | None = None,
+        y_val: np.ndarray | None = None,
+    ):
+        """Called before the training has started.
+
+        Args:
+            model (QSPRModel): model to train
+        """
+        super().onFitStart(model, X_train, y_train, X_val, y_val)
+        # initialize wandb run if not already initialized
+        if not self.wandb.run:
+            self.wandb.init(
+                project=self.projectName,
+                config={"model": self.fitModel.name},
+                name=f"{self.fitModel.name}_fit",
+                group=self.fitModel.name,
+                dir=f"{self.fitModel.outDir}",
+                **self.kwargs,
+            )
+
+    def onFitEnd(self, estimator: Any, best_epoch: int | None = None):
+        """Called after the training has finished.
+
+        Args:
+            estimator (Any): estimator that was fitted
+            best_epoch (int | None): index of the best epoch
+        """
+        super().onFitEnd(estimator, best_epoch)
+        self.wandb.log({"best_epoch": best_epoch})
+        # finish wandb run if not already finished
+        if not hasattr(self, "assessmentType"):
+            self.wandb.finish()
+
+    def onEpochEnd(self, epoch: int, train_loss: float, val_loss: float | None = None):
+        """Called after each epoch of the training.
+
+        Args:
+            epoch (int): index of the current epoch
+            train_loss (float): loss of the current epoch
+            val_loss (float | None): validation loss of the current epoch
+        """
+        super().onEpochEnd(epoch, train_loss, val_loss)
+        self.wandb.log({"epoch": epoch, "train_loss": train_loss, "val_loss": val_loss})
+
+    def onBatchEnd(self, batch: int, loss: float):
+        """Called after each batch of the training.
+
+        Args:
+            batch (int): index of the current batch
+            loss (float): loss of the current batch
+        """
+        super().onBatchEnd(batch, loss)
+        self.wandb.log({"batch": batch, "loss": loss})
diff --git a/qsprpred/models/sklearn.py b/qsprpred/models/scikit_learn.py
similarity index 77%
rename from qsprpred/models/sklearn.py
rename to qsprpred/models/scikit_learn.py
index f9c86e1f..5f10ef4c 100644
--- a/qsprpred/models/sklearn.py
+++ b/qsprpred/models/scikit_learn.py
@@ -8,15 +8,16 @@
 import os
 from typing import Any
 
+import ml2json
 import numpy as np
 import pandas as pd
-import sklearn_json as skljson
-from sklearn.svm import SVC, SVR
+from sklearn.exceptions import NotFittedError
+from sklearn.utils.validation import check_is_fitted
 
-from ..data.data import QSPRDataset
+from .models import QSPRModel
+from ..data.tables.qspr import QSPRDataset
 from ..logs import logger
-from .interfaces import QSPRModel
-from .tasks import ModelTasks
+from ..tasks import ModelTasks
 
 
 class SklearnModel(QSPRModel):
@@ -25,50 +26,49 @@ class SklearnModel(QSPRModel):
     Wrap your sklearn model class in this class
     to use it with the `QSPRModel` interface.
     """
+
     def __init__(
         self,
         base_dir: str,
         alg=None,
-        data: QSPRDataset = None,
         name: str | None = None,
         parameters: dict | None = None,
         autoload: bool = True,
+        random_state: int | None = None,
     ):
         """Initialize SklearnModel model.
 
         Args:
             base_dir (str): base directory for model
             alg (Type): sklearn model class
-            data (QSPRDataset): data set to use for model
             name (str): customized model name
             parameters (dict): model parameters
             autoload (bool): load model from file
+            random_state (int): seed for the random state
         """
-        super().__init__(base_dir, alg, data, name, parameters, autoload)
-        # check for incompatible tasks
-        if self.task == ModelTasks.MULTITASK_MIXED:
-            raise ValueError(
-                "MultiTask with a mix of classification and regression tasks "
-                "is not supported for sklearn models."
-            )
-        if self.task == ModelTasks.MULTITASK_MULTICLASS:
-            raise NotImplementedError(
-                "At the moment there are no supported metrics "
-                "for multi-task multi-class/mix multi-and-single class classification."
-            )
+        super().__init__(base_dir, alg, name, parameters, autoload, random_state)
         # initialize models with defined parameters
-        if type(self.estimator) in [SVC, SVR]:
-            logger.warning(
-                "parameter max_iter set to 10000 to avoid training getting stuck. \
-                            Manually set this parameter if this is not desired."
-            )
-            if self.parameters:
-                self.parameters.update({"max_iter": 10000})
+        try:
+            # check if alg can be initialized with parameters
+            if self.parameters is not None:
+                self.alg(**self.parameters)
             else:
-                self.parameters = {"max_iter": 10000}
+                self.alg()
+        except:
+            logger.error(
+                f"Cannot initialize alg {self.alg} with parameters {self.parameters}."
+            )
+            raise
         # set parameters if defined
-        if self.parameters not in [None, {}] and hasattr(self, "estimator"):
-            self.estimator.set_params(**self.parameters)
+        if (
+            (self.parameters not in [None, {}])
+            and hasattr(self, "estimator")
+            and self.estimator is not None
+        ):
+            try:
+                check_is_fitted(self.estimator)
+            except NotFittedError:
+                self.estimator.set_params(**self.parameters)
         # log some things
         logger.info("parameters: %s" % self.parameters)
         logger.debug(f'Model "{self.name}" initialized in: "{self.baseDir}"')
@@ -103,7 +103,7 @@ def loadEstimatorFromFile(
         """
         path = f"{self.outPrefix}.json"
         if os.path.isfile(path):
-            estimator = skljson.from_json(path)
+            estimator = ml2json.from_json(path)
             self.alg = estimator.__class__
             new_parameters = self.getParameters(params)
             if new_parameters is not None:
@@ -111,6 +111,10 @@ def loadEstimatorFromFile(
             else:
                 return estimator
         elif fallback_load:
+            logger.warning(
+                f"No estimator found at {path}, creating unfitted estimator instead. "
+                f"Set fallback_load to False to prevent this."
+            )
             return self.loadEstimator(params)
         else:
             raise FileNotFoundError(
@@ -120,17 +124,29 @@ def loadEstimatorFromFile(
     def saveEstimator(self) -> str:
         """See `QSPRModel.saveEstimator`."""
         estimator_path = f"{self.outPrefix}.json"
-        skljson.to_json(self.estimator, estimator_path)
+        ml2json.to_json(self.estimator, estimator_path)
         return estimator_path
 
     def fit(
         self,
-        X: pd.DataFrame | np.ndarray | QSPRDataset,
-        y: pd.DataFrame | np.ndarray | QSPRDataset,
+        X: pd.DataFrame | np.ndarray,
+        y: pd.DataFrame | np.ndarray,
         estimator: Any = None,
         mode: Any = None,
+        monitor: None = None,
+        **kwargs,
     ):
-        """See `QSPRModel.fit`."""
+        # check for incompatible tasks
+        if self.task == ModelTasks.MULTITASK_MIXED:
+            raise ValueError(
+                "MultiTask with a mix of classification and regression tasks "
+                "is not supported for sklearn models."
+            )
+        if self.task == ModelTasks.MULTITASK_MULTICLASS:
+            raise NotImplementedError(
+                "At the moment there are no supported metrics "
+                "for multi-task multi-class/mix multi-and-single class classification."
+            )
         estimator = self.estimator if estimator is None else estimator
         X, y = self.convertToNumpy(X, y)
         # sklearn models expect 1d arrays
diff --git a/qsprpred/models/search_space.json b/qsprpred/models/search_space.json
deleted file mode 100644
index 5b4442f4..00000000
--- a/qsprpred/models/search_space.json
+++ /dev/null
@@ -1,65 +0,0 @@
-[["RF", {"max_depth": [null, 20, 50, 100],
-         "max_features": ["sqrt", "log2"],
-         "min_samples_leaf": [1, 3, 5],
-         "min_samples_split": [2, 5, 12],
-         "n_estimators": [100, 200, 300, 1000]}, "grid"],
-["RF", {"n_estimators": ["int", 10, 2000],
-        "max_depth": ["int", 1, 100],
-        "min_samples_leaf": ["int", 1, 25],
-        "max_features": ["int", 1, 100], 
-        "min_samples_split": ["int", 2, 12] }, "bayes"],
-["XGB", {"learning_rate": [0.01, 0.05, 0.1],
-        "max_depth": [3,6,10],
-        "n_estimators": [100, 500, 1000],
-        "colsample_bytree": [0.3, 0.5, 0.7]}, "grid"],
-["XGB", {"n_estimators": ["int", 100, 1000],
-        "max_depth": ["int",3, 10],
-        "learning_rate": ["uniform", 0.01, 0.1]}, "bayes"],
-["SVM", [{"kernel"      : ["rbf", "sigmoid"],
-        "C"           : [0.001,0.01,0.1,1,10,100,1000],
-        "gamma"       : [0.001,0.01,0.1,1,10,100,1000]},
-        {"kernel"      : ["linear"],
-        "C"           : [0.001,0.01,0.1,1,10,100,1000]},
-        {"kernel"      : ["poly"],
-        "C"           : [0.001,0.01,0.1,1,10,100,1000],
-        "gamma"       : [0.001,0.01,0.1,1,10,100,1000],
-        "degree"      : [1,2,3,4,5] }], "grid"],
-["SVM", {"C": ["loguniform", 1.0e-3, 1.0e3],
-        "kernel": ["categorical", ["linear", "sigmoid", "rbf"]],
-        "gamma": ["uniform", 0, 20]}, "bayes"],
-["KNN", {"n_neighbors" : [1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30],
-        "weights"      : ["uniform", "distance"]}, "grid"],
-["KNN", {"n_neighbors": ["int", 1, 100],
-        "weights": ["categorical", ["uniform", "distance"]],
-        "metric": ["categorical", ["euclidean","manhattan",
-                    "chebyshev","minkowski"]]}, "bayes"],
-["NB", {"var_smoothing": [1.00000000e+00, 8.11130831e-01, 6.57933225e-01, 5.33669923e-01,
-                          4.32876128e-01, 3.51119173e-01, 2.84803587e-01, 2.31012970e-01,
-                          1.87381742e-01, 1.51991108e-01, 1.23284674e-01, 1.00000000e-01,
-                          8.11130831e-02, 6.57933225e-02, 5.33669923e-02, 4.32876128e-02,
-                          3.51119173e-02, 2.84803587e-02, 2.31012970e-02, 1.87381742e-02,
-                          1.51991108e-02, 1.23284674e-02, 1.00000000e-02, 8.11130831e-03,
-                          6.57933225e-03, 5.33669923e-03, 4.32876128e-03, 3.51119173e-03,
-                          2.84803587e-03, 2.31012970e-03, 1.87381742e-03, 1.51991108e-03,
-                          1.23284674e-03, 1.00000000e-03, 8.11130831e-04, 6.57933225e-04,
-                          5.33669923e-04, 4.32876128e-04, 3.51119173e-04, 2.84803587e-04,
-                          2.31012970e-04, 1.87381742e-04, 1.51991108e-04, 1.23284674e-04,
-                          1.00000000e-04, 8.11130831e-05, 6.57933225e-05, 5.33669923e-05,
-                          4.32876128e-05, 3.51119173e-05, 2.84803587e-05, 2.31012970e-05,
-                          1.87381742e-05, 1.51991108e-05, 1.23284674e-05, 1.00000000e-05,
-                          8.11130831e-06, 6.57933225e-06, 5.33669923e-06, 4.32876128e-06,
-                          3.51119173e-06, 2.84803587e-06, 2.31012970e-06, 1.87381742e-06,
-                          1.51991108e-06, 1.23284674e-06, 1.00000000e-06, 8.11130831e-07,
-                          6.57933225e-07, 5.33669923e-07, 4.32876128e-07, 3.51119173e-07,
-                          2.84803587e-07, 2.31012970e-07, 1.87381742e-07, 1.51991108e-07,
-                          1.23284674e-07, 1.00000000e-07, 8.11130831e-08, 6.57933225e-08,
-                          5.33669923e-08, 4.32876128e-08, 3.51119173e-08, 2.84803587e-08,
-                          2.31012970e-08, 1.87381742e-08, 1.51991108e-08, 1.23284674e-08,
-                          1.00000000e-08, 8.11130831e-09, 6.57933225e-09, 5.33669923e-09,
-                          4.32876128e-09, 3.51119173e-09, 2.84803587e-09, 2.31012970e-09,
-                          1.87381742e-09, 1.51991108e-09, 1.23284674e-09, 1.00000000e-09]}, "grid"],
-["NB", {"var_smoothing": ["loguniform", 1e-10, 1]}, "bayes"],
-["PLS", {"n_components": [1, 5, 10, 20, 30]}, "grid"],
-["PLS", {"n_components": ["int", 1, 30],
-        "scale": ["categorical", [true, false]]}, "bayes"]
-]
\ No newline at end of file
diff --git a/qsprpred/models/tasks.py b/qsprpred/models/tasks.py
deleted file mode 100644
index 008e56eb..00000000
--- a/qsprpred/models/tasks.py
+++ /dev/null
@@ -1,93 +0,0 @@
-"""Enums representing what type of task the model is supposed
-to perform for a single target property and for all target properties.
-"""
-from enum import Enum
-
-
-class TargetTasks(Enum):
-    """Enum representing the type of task the model
-    is supposed to perform for a single target property.
-    """
-
-    REGRESSION = "REGRESSION"
-    SINGLECLASS = "SINGLECLASS"
-    MULTICLASS = "MULTICLASS"
-
-    def isClassification(self):
-        """Check if the task is a classification task."""
-        return self in [self.SINGLECLASS, self.MULTICLASS]
-
-    def isRegression(self):
-        """Check if the task is a regression task."""
-        return self in [self.REGRESSION]
-
-    def __str__(self):
-        """Return the name of the task."""
-        return self.name
-
-
-class ModelTasks(Enum):
-    """Enum representing the general type of task the
-    model is supposed to perform for all target properties.
-    """
-
-    REGRESSION = "REGRESSION"
-    SINGLECLASS = "SINGLECLASS"
-    MULTICLASS = "MULTICLASS"
-    MULTITASK_REGRESSION = "MULTITASK_REGRESSION"
-    MULTITASK_SINGLECLASS = "MULTITASK_SINGLECLASS"
-    MULTITASK_MULTICLASS = "MULTITASK_MULTICLASS"
-    MULTITASK_MIXED = "MULTITASK_MIXED"
-
-    def isClassification(self):
-        """Check if the task is a classification task."""
-        return self in [
-            self.SINGLECLASS,
-            self.MULTICLASS,
-            self.MULTITASK_SINGLECLASS,
-            self.MULTITASK_MULTICLASS,
-        ]
-
-    def isRegression(self):
-        """Check if the task is a regression task."""
-        return self in [self.REGRESSION, self.MULTITASK_REGRESSION]
-
-    def isMixed(self):
-        """Check if the task is a mixed task."""
-        return self in [self.MULTITASK_MIXED]
-
-    def isMultiTask(self):
-        """Check if the task is a multitask task."""
-        return self in [
-            self.MULTITASK_REGRESSION,
-            self.MULTITASK_SINGLECLASS,
-            self.MULTITASK_MULTICLASS,
-            self.MULTITASK_MIXED,
-        ]
-
-    def __str__(self):
-        """Return the name of the task."""
-        return self.name
-
-    @staticmethod
-    def getModelTask(target_properties: list):
-        """Return the model type for a given list of target properties."""
-        if len(target_properties) == 1:
-            return ModelTasks[target_properties[0].task.name]
-        elif all(
-            target_property.task.isRegression() for target_property in target_properties
-        ):
-            return ModelTasks.MULTITASK_REGRESSION
-        elif all(
-            target_property.task.isClassification()
-            for target_property in target_properties
-        ):
-            if all(
-                target_property.task == TargetTasks.SINGLECLASS
-                for target_property in target_properties
-            ):
-                return ModelTasks.MULTITASK_SINGLECLASS
-            else:
-                return ModelTasks.MULTITASK_MULTICLASS
-        else:
-            return ModelTasks.MULTITASK_MIXED
diff --git a/qsprpred/models/test_files/data/test_data.tsv b/qsprpred/models/test_files/data/test_data.tsv
deleted file mode 100644
index 7537a412..00000000
--- a/qsprpred/models/test_files/data/test_data.tsv
+++ /dev/null
@@ -1,11 +0,0 @@
-	Name	SMILES	VDss	CL	fu	terminal  t1/2	Year of first disclosure	MW	HBA	HBD	moka_ionState7.4
-0	Belinostat	c1c(cccc1\C=C\C(NO)=O)S(=O)(=O)Nc1ccccc1	0.8			1.6	2002	318.35	6	3	neutral
-1	Scutellarin	c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	0.88	46.58	0.1	1.18	1889	462.36	12	7	anionic
-2	Cefixime	Nc1nc(cs1)\C(=N\OCC(=O)O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C	0.24	1.0	0.31	3.2	1981	453.45	12	4	anionic
-3	RGB-286638	N(C(=O)NN1CCOCC1)c1c2C(=O)c3c([nH]nc3c3ccc(cc3)CN3CCN(CC3)CCOC)c2ccc1	5.9	11.5		9.9	2004	545.63	11	3	cationic
-4	BB 83698	CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2	1.1	3.1	0.2	9.4	2001	530.66	10	2	neutral
-5	Nomifensine	CN1CC(c2ccccc2)c3cccc(N)c3C1	6.0	22.0	0.4	6.5	1969	238.33	2	1	cationic
-6	Caderofloxacin	n1(cc(c(c2cc(c(c(c12)OC(F)F)N1C[C@@H](NCC1)C)F)=O)C(=O)O)C1CC1	1.1	2.7		5.9	1990	411.38	7	2	zwitterionic
-7	Voriconazole	C[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F	2.2	8.3	0.42	5.6	1991	349.31	6	1	neutral
-8	Sipatrigine	c1(c2c(nc(N3CCN(C)CC3)nc2)N)c(c(cc(c1)Cl)Cl)Cl	15.31	20.9		10.98	1990	372.68	5	1	cationic
-9	Sulfamethoxazole	Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1	0.3	0.36	0.23	9.8	1957	253.28	6	2	anionic
diff --git a/qsprpred/models/test_files/data/test_data_large.tsv b/qsprpred/models/test_files/data/test_data_large.tsv
deleted file mode 100644
index e5328432..00000000
--- a/qsprpred/models/test_files/data/test_data_large.tsv
+++ /dev/null
@@ -1,201 +0,0 @@
-Name	CAS #	SMILES	VDss	CL	fu	MRT (h)	terminal  t1/2	Reference	Comments 	Notes	Year of first disclosure	MW	HBA	HBD	TPSA_NO	RotBondCount	moka_ionState7.4	MoKa.LogP	MoKa.LogD7.4
-Dopamine	51-61-6	c1(cc(c(O)cc1)O)CCN	0.74	65.9	0.87	0.19	0.42	Data digitized from Fig. 1 P.-0. JARNBEG, L. BENGTSSOJN, E KSTRANaD, B. HAMBERCER Dopamine Infusion in Man. Plasma Catecholamine Levels and Pharmacokinetics. Acta anaesth. scand. 1981, 25, 328-331.//ppb: Gunhild Franksson and Erik Änggård The Plasma Protein Binding of Amphetamine,  Catecholamines and  Related Compounds. Acta Pharmacol. Toxicol.1970, 28,  209-214.	N=8 for 2 and 5 ug/kg/min, 30' infusion. Data digitized from Fig.1		1910	153.18	3	3	66.5	2	cationic	0.56	-2.0
-Dihydroergosine	7288-61-1	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O	4.02	12.85		5.01	8.84	Cvelbar, Polona; Culig, J.; Kopitar, Z.; Lenardic, A.; Urbancic-Smerkolj, Janja; Zorz, M. Bioavailability of dihydroergosine in healthy volunteers. Proc. - 3rd Eur. Congr. Biopharm. Pharmacokinet., 1987, Volume 3, 147-53	N=8, 0.75 mg dose, 75 kg median weight. Clearance recalculated from dose and AUC. Erroneously reported as 0.96 mL/min when it should have been 0.96 L/min.	Nice example of enterohepatic recirculation.	1943	549.66	10	3	118.2	4	cationic	3.7	3.2
-Avarofloxacin	878592-87-1	COc1c2c(cc(c1N3CCC/C(=C(/CN)\F)/C3)F)c(=O)c(cn2C4CC4)C(=O)O	1.13	0.78	0.34	24.21	19.64	J. Michael Davenport, Paul Covington, Mark Gotfried, Matthew Medlock, Prapoch Watanalumlerd, Gail McIntyre, Lisa Turner, and June Almenoff. Summary of Pharmacokinetics and Tissue Distribution of a Broad-Spectrum Fluoroquinolone, JNJ-Q2//ppb: G Eichenbaum, MK Pugsley, DJ Gallacher, R Towart, G McIntyre, U Shukla, JM Davenport, HR Lu, J Rohrbacher, and V Hillsamer. Role of mixed ion channel effects in the cardiovascular safety assessment of the novel anti-MRSA fluoroquinolone JNJ-Q2. Br. J. Clin. Pharmacol. 2012, 166, 1694-1707.	"JNJ-Q2. Acorafloxacin. Data digitized from plot reported. 75 mg dose chosen as ""bracketed by the range 15-150 mg. Generally linear PK. 70 kg average weight assumed. 90-minute infusion. AUC 0-inf reported as 25 ug.h.mL. Calculated 22.9 ug.h.mL. 9% difference. ppb midpoint of range: 62% at 2 ug/mL and 70% at 20 ug/mL."		2006	419.42	7	2	97.8	5	zwitterionic	2.8	0.44
-SNS-032	345627-80-7	N1CCC(CC1)C(=O)Nc1sc(cn1)SCc1oc(cn1)C(C)(C)C	5.14	13.0		7.13	9.3	Phase I and Pharmacologic Study of SNS-032, a Potentand Selective Cdk2, 7, and 9 Inhibitor, in Patients With Advanced Chronic Lymphocytic Leukemia and Multiple Myeloma Wei-Gang Tong, Rong Chen, William Plunkett, David Siegel, Rajni Sinha, R. Donald Harvey, Ashraf Z. Badros, Leslie Popplewell, Steven Coutre, Judith A. Fox, Kristi Mahadocon, Tianling Chen, Peggy Kegley, Ute Hoch, and William G. Wierda. J Clin Oncol 201. 28:3015-3022.	BMS 387032. Weighted average across 32 patients. Dose range 15 to 100 mg/m2. 		2001	380.53	6	2	80.3	5	cationic	2.0	0.64
-Felodipine	72509-76-3	CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C	4.4	11.0	0.0035999999999999	6.7	10.0	Edgar B, Regardh CG, Johnsson G, Johansson L, Lundborg P, Lofberg I, and Ronn O (1985) Felodipine kinetics in healthy men.  Clin. Pharmacol. Ther. 38: 205-211.	VDss calculated from compartmental parameters provided in the reference by Edgar, et al., 1985.		1980	384.25	5	1	64.6	6	neutral	4.2	4.2
-Eptaloprost	90693-76-8	[H]OC(CCCOCC=C1C[C@H]2C[C@H]([C@@H](C#C[C@H]([C@@H](C)CC#CCC)O[H])[C@H]2C1)O[H])=O	2.4	66.2		0.59	0.41	Hildebrand M, Inter-species Extrapolation of Pharmacokinetic Data of Three Procyclin-Mimetics, Prostaglandins, 1994, 48, 297-312.	 t1/2=0.693/kel. Data reported and used for allometric scaling were taken from other publications by the same author.		1984	402.52	5	3	87.0	15	anionic	3.0	0.22
-Methylnaltrexone	73232-52-7	C[N+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CCC5=O)c46	2.6	22.0	0.87	2.0	2.5	Yuan CS, Doshan H, Charney MR, O'Connor M, Karrison T, Maleckar SA, Israel RJ, and Moss J (2005) Tolerability, gut effects, and pharmacokinetics of methylnaltrexone following repeated intravenous administration in humans.  J. Clin. Pharmacol.  45: 538-546. ppb: Reported by PDR as The fraction of methylnaltrexone bromide bound to human plasma proteins is 11.0% to 15.3%, as determined by equilibrium dialysis. Aceessed December 2014. http://www.pdr3d.com/detail.php?c=7437#section-13	CAS # for methyl naltrexone bromide. CAS for parent 83387-25-1. SMILES entered for parent without bromide anion.		1979	356.44	5	2	66.8	2	neutral	-2.7	-1.4
-Artesunate	88495-63-0	C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	15.0	1070.0	0.25	0.32	0.22	Newton PN, Barnes KI, Smith PJ, Evans AC, Chierakul, W, Ruangveerayuth R, and WhiteNJ (2006) The pharmacokinetics of intravenous artesunate in adults with severe falciparum malaria.    Eur. J. Clin. Pharmacol.  62: 1003-1009.  Li Q, Xie LH, Haeberle A, Zhang J, and Weina P (2006) The evaluation of radiolabeled artesunate on tissue distribution in rats and protein binding in humans.  Am. J. Trop. Med. Hyg. 75: 817-826.			1982	384.42	8	1	100.5	5	neutral	3.0	2.9
-Apalcillin	63469-19-2	[H]N(C([C@@H](c1ccccc1)N([H])C(c1cnc2cccnc2c1O[H])=O)=O)[C@@H]1C2N(C1=O)[C@@H](C(=O)O[H])C(C)(C)S2	0.16	1.9	0.1	1.4	1.2	Busch von U., Heinzel g., Seyfarth H., Mielenz H. Arzneim.-Forsch. 1982, 32, 1131-1135.  Investigation of the pharmacokinetics of apalcillin in man.	Data digitized is reported only for 1 subject (subject 3) AUC reported for individual subject in close agreement with reported clearance and AUC as well as for t1/2. N=7 and 70 kg average weight assumed. Subject # 3 in the middle of range and considered representative of cohort. Protein binding reported as approximately 90%.		1977	521.55	11	4	161.8	8	anionic	1.8	-1.6
-Menogaril	71628-96-1	c12c3c([C@@]4(O[C@@H](O3)[C@@H](O)[C@@H]([C@@H]4O)N(C)C)C)cc(c1C(c1c(c3[C@@H](C[C@@](Cc3cc1C2=O)(C)O)OC)O)=O)O	9.14	11.61		13.13	13.22	Merrill J. Egorin, David A. Van Echo, Margaret Y. Whitacre, Alan Forrest, Lawrence M. Sigman, Kathrin L. Engisch, and Joseph Aisner (1986). Human Pharmacokinetics, Excretion, and Metabolism of the Anthracycline Antibiotic Menogaril (7-OMEN, NSC 269148) and Their Correlation with Clinical Toxicities. CANCER RESEARCH 46, 1513-1520	NSC 269148. Menogarol. 7-OMEN. Average clearance and VDss as reported by authors. 1.73 m2/70 factor used. Overall 24 stuides at different doses (infusion). MRT from clearance and VDss.	From paper cited: In humans, as in rabbits (8), neither urinary or biliary excretion of 7-OMEN and its fluorescent metabolites represented a major route of drug clearance.	1978	541.55	11	5	166.2	2	zwitterionic	1.4	-1.2
-Cotinine	486-56-6	CN1[C@@H](CCC1=O)c2cccnc2	1.1	0.89		21.0	17.0	Scherer G, Jarczyk L, Heller WD, Biber A, Neurath GB, and Adlkofer F (1988) Pharmacokinetics of nicotine, cotinine, and 3'-hydroxycotinine in cigarette smokers.  Klin. Wochenschr. 66(Supp 11): 5-11.  Curvall M, Elwin CE, Kazemi-Vala E, Warholm C, and Enzell CR (1990) The pharmacokinetics of cotinine in plasma and saliva from non-smoking healthy volunteers.  Eur. J. Clin. Pharmacol. 38: 281-287. 	VDss calculated from C vs t data obtained by digitization of the plots provided in the references.		1956	176.22	3	0	33.2	1	neutral	-0.33	-0.33
-Ketobemidone	469-79-4	CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2	0.48	9.2		0.87	2.3	Bondesson U, Arner S, Anderson P, Boreus LO, and Hartvig P (1980) Clinical pharmacokinetics and oral bioavailability of ketobemidone.  Eur. J. Clin. Pharmacol.  17: 45-50.	Calculated from reported rate micro-constants.		1946	247.33	3	1	40.5	3	cationic	1.5	0.0027
-IDX899	1097733-15-7	c12c(ccc(c1)Cl)[nH]c(c2P(=O)(c1cc(cc(c1)/C=C/C#N)C)OC)C(=O)N	0.56	1.71		5.5	4.4	Microdose Pharmacokinetics of IDX899 and IDX989, Candidate HIV-1 Non-NucleosideReverse Transcriptase Inhibitors, Following Oral and Intravenous Administration in Healthy Male Subjects. Xiao-Jian Zhou,  R. Colin Garner,  DSc, Sheila Nicholson,  C. James Kissling,and Douglas Mayers. J Clin Pharmacol  2009, 49 (12) 1408-1416. 	GSK2248761. No structure available in SciFinder as of January 14 2012. Available in cited paper. Data digitized from figure 2. 3% difference in AUCinf with reported value. Microdose of 100 ug but PK confirmed for oral legs at pharmacologically relevant doses of 200 and 1200 mg. Iv infusion of 30' N=8, 76.6 kg average weight. 	Also reported as GSK 2248761 in SciFinder	2009	413.79	6	2	109.0	6	neutral	2.9	2.9
-Lisdexamfetamine	608137-32-2	C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)N	0.6	17.0		0.6	1.2	Jasisnki DR, Krishnan S. Human pharmacology of intravenous lisdexamfetamine dimesylate: abuse liability in adult stimulant abusers. Journal of Psychopharmacology, 2009,  23, 410–418	N=9, 69.5 kg average weight. No data reported for LDX. Lisine prodrug (amide) of dexamfetamine. CAS: 51-64-9 (+)-(S)-amphetamine		2005	263.38	4	3	81.1	8	cationic	0.95	-2.1
-Doxorubicin	23214-92-8	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	22.0	15.0	0.28	24.0	32.0	Carmaggi CM, Comparsi R, Strocchi E, Testoni F, Angelli B, and Pannuti F (1988) Epirubicin and doxorubicin comparative metabolism and pharmacokinetics.  Canc. Chemother. Pharmacol. 21: 221-228.  Piscitelli SC, Rodvold KA, Rushing DA, and Tewksbury DA (1993) Pharmacokinetics and pharmacodynamics of doxorubicin in patients with small cell lung cancer.  Clin. Pharmacol. Ther. 53: 555-561.  Eksborg S, Ehrsson H, and Ekqvist B (1982) Protein binding of anthraquinone glycosides, with special reference to adriamycin.    Cancer Chemother. Pharmacol. 10: 7-10.	Adriamycin, Adriblastin.		1971	543.52	12	6	206.1	5	cationic	0.46	-2.2
-Hydroxysafflor yellow A	78281-02-4	C1(C(=C([C@@](C(=C1C(\C=C\c1ccc(cc1)O)=O)O)(O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O	0.2	1.0	0.22	3.6	2.9	 Pharmacokinetic properties of hydroxysafflor yellow A in healthy Chinese female volunteers. Yang, Zhifu; Yang, Jing; Jia, Yanyan; Tian, Yun; Wen, Aidong  Journal of Ethnopharmacology (2009), 124, (3), 635-638. ppb: Wang, Jianming; Zou, Tian; Zhang, Yuanyuan; Fan, Ning. Study on plasma protein-​binding rate of hydroxysafflor yellow A in safflor yellow powder injection. Zhongchengyao (2011), 33(6), 947-949. Data from abstract in English.	HSYA, Safflomin A. Data digitized from figure 1. 1 hr infusion, all female chinese subjects, average weight 57.1 kg. 35, 70 and 140 mg doses. N=12 per dose group.		1981	612.53	16	12	295.4	7	neutral	-0.48	-0.51
-Lipoic acid, S(-)-α	1077-27-6	C1CSS[C@H]1CCCCC(=O)O	0.11	13.4		0.13	0.21	Hermann, R.; Niebch, G.; Borbe, H. O.; Fieger-Bueschges, H.; Ruus, P.; Nowak, H.; Riethmueller-Winzen, H.; Peukert, M.; Blume, H. Enantioselective pharmacokinetics and bioavailability of different racemic α-lipoic acid formulations in healthy volunteers. European Journal of Pharmaceutical Sciences (1996), 4(3), 167-174.	200 mg (racemic) iv 4min infusion. N=12. Digitized from figure 3.  AUC differing by 12% from reported.		1956	206.33	2	1	37.3	5	anionic	2.4	0.038
-Hydroxycamptothecin, 10-	19685-09-7	CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O	0.22	2.23		1.63	1.67	LI Su, ZHANG Li, GUANG Zhong-zhen, ZHAN Jing, LI Yu-yan , JIANG Wen-qi. Absolute bioavailability of hydroxycamptothecin tablets in cancer patients. Chin. J. Clin. Pharmacol. 2005, 22, 46-49.(written in Chinese) 	N=8, 12 mg.m-2 dose, conversion factor 1.73m2/70kg, 30 minutes infusion. Data digitized and PK parameters calculated via PKSolver. AUC reported as 2171 ug.h.L-1 (not specified); AUS (inf) calculated as 2211 ng.h.mL-1. 2% difference.		1969	364.35	7	2	101.6	1	neutral	1.4	1.4
-Chlordiazepoxide	58-25-3	CNC1=Nc2ccc(Cl)cc2C(=N(=O)C1)c3ccccc3	0.25	0.37	0.056	11.0	8.3	Desmond PV, Patwardhan RV, Schenker S, and Hoyumpa AM (1980) Short-term ethanol administration impairs the elimination of chlordiazepoxide (Librium) in man.  Eur. J. Clin. Pharmacol. 18: 275-278.  Boxenbaum HG, Geitner KA, Dixon WR, Spiegel HE, Symington J, Christian R, Moore JD, Weissman L, and Kaplan SA (1977) Pharmacokinetic and biopharmaceutic profile of chlordiazepoxide HCl in healthy subjects: single-dose studies by the intravenous, intramuscular, and oral routes.  J. Pharmacokinet. Biopharm. 5: 3-23.  Desmond PV, Roberts, RK, Wood AJJ, Dunn GD, Wilkinson GR, Schenker S (1980) Effect of heparin administration on plasma binding of benzodiazepines.    Br. J. Clin. Pharmacol.  9: 171-175.  			1955	299.75	4	1	53.1	2	neutral	1.4	1.4
-Cefpirome	84957-29-9	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3cccc4CCCc34)\c5csc(N)n5	0.24	1.9	0.9	2.1	1.7	Nakayama I, Akieda Y, Yamaji E, Nitta Y, Ohishi M, Katagiri K, Imamura N, and Takase K (1992) Single- and multiple-dose pharmacokinetics of intravenous cefpirome (HR810) to healthy volunteers,  J. Clin. Pharmacol. 32: 256-266.  Tabata S, Shimura T, Maeda T, Hayashi S, Kobayashi I, and Saito A (1991) Protein binding of cefpirome sulfate in man and animals and its displacing effect on bilirubin bound to human serum albumin.    Chemotherapy  39(Suppl. 1):  109-114.			1982	514.58	11	2	153.9	7	anionic	0.7	-1.6
-Pindolol	13523-86-9	CC(C)NCC(O)COc1cccc2[nH]ccc12	1.2	7.7	0.58	2.6	2.2	Lavene D, Weiss YA, Safar ME, Loria Y, Agorus H, Georges D, and Milliez PL (1977) Pharmacokinetics and hepatic extraction ratio of pindolol in hypertensive patients with normal and impaired renal function.  J. Clin. Pharmacol. 17: 501-508.  Henry JA and Mitchell SN (1981) Effect of pH on human plasma protein binding of a series of .beta.-adrenoceptor antagonists. Br. J. Clin. pharmacol. 11: 119P-120P. 	VDss calcualted from reported micro rate constants.		1966	248.32	4	3	57.3	6	cationic	1.8	0.05
-Gallopamil	16662-47-8	c1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)c(c1)OC)OC	1.75	14.3	0.07	2.04	1.8	Eichelbaum M. Pharmakokinetik und Metabolismus von. Gallopamil. Zeitschrift ftir Kardiologie 78 (Suppl. 5): 20-24, 1989.  ppB; Stieren, B.; Buehler, V.; Hege, H. G.; Hollmann, M.; Neuss, H.; Schlepper, M.; Weymann, J. Edited by Kaltenbach, Martin; Hopf, Ruediger  Gallopamil:  Pharmakol. Klin. Wirkungsprofil Kalziumantagonisten (1983), 90-96. From abstract in English.	Data digitized from plot in figure 4. 70 kg average weight assumed. 2 mg dose iv bolus. N=12. Reported AUC 29.6 ng.hr/mL. Reported clearance 1.2 L/min.		1963	484.63	7	0	73.2	15	cationic	4.3	2.8
-Bidisomide	103810-45-3	[H]N([H])C([C@](CCN1CCCCC1)(CCN(C(C)C)C(C)=O)c1ccccc1[Cl])=O	2.6	5.43		7.9	12.0	 Cook, Chyung S.; Ames, Gregory B.; Smith, Margaret E.; Kowalski, Kenneth G.; Karim, Aziz. Absorption and disposition of a new antiarrhythmic agent bidisomide in man. Pharmaceutical Research, 1993, 10 (11), 1675-1682. 	Data from 1 mg/kg 20 min iv infusion, N=6, 70 kg average weight. t½ taken as the γ phase		1986	407.98	5	1	66.6	9	cationic	2.9	1.8
-YM155	781661-94-7	c1(n(c2c(C(=O)c3ccccc3C2=O)[n+]1Cc1cnccn1)CCOC)C	23.7	11.3		34.5	24.8	Phase I and Pharmacokinetic Study of YM155, a Small-Molecule Inhibitor of Survivin. Anthony W. Tolcher, Alain Mita, Lionel D. Lewis, Christopher R. Garrett, Elizabeth Till, Adil I. Daud, Amita Patnaik, Kyri Papadopoulos, Chris Takimoto, Pamela Bartels, Anne Keating, and Scott Antonia. J. Cin. Onc. 2008, 26, 5198-5203.	Sepantronium bromide. 3.6 (N=7) and 4.8 mg/m2 (N=25). Weighted average from data reported on Table 4. T1/2 questionable. 168 hr infusion. Quaternary ammonium salt. Bromide counter-ion omitted from smiles.		2001	363.39	7	0	78.0	5	neutral	-1.2	-1.2
-(+)dOTC	160707-68-6	c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](S2)CO	0.84	3.9		3.6	8.92	PATRICK F. SMITH, ALAN FORREST, CHARLES H. BALLOW, DAVID E. MARTIN,AND LOUISE PROULX. Absolute Bioavailability and Disposition of (-) and (+) 2'-Deoxy-3'-Oxa-4'-Thiocytidine (dOTC) following Single Intravenousand Oral Doses of Racemic dOTC in Humans. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY,2000, 44,1609–1615.	Dosed as 100 mg of racemate. (-) form called apricitabine or (-) BCH10652. The (+) form is called (+)-BCH 10652; (+)-DOTC; BCH 10619. Data for (-) form reported as well. MRT from VDss and clearance. 		1994	229.26	6	2	90.4	2	neutral	-1.9	-1.9
-NBI-1	1190929-42-0	C[C@H](c1c2ccccc2sc1CCN(C)C)c1ccccn1	1.83	5.31		6.8	9.1	Ajay Madan, Zhihong O’Brien, Jianyun Wen, Chris O’Brien, Robert H. Farber, Graham Beaton, Paul Crowe, Berend Oosterhuis, R. Colin Garner, Graham Lappin,  Haig P. Bozigian.  A pharmacokinetic evaluation of five H1 antagonists after an oral and intravenous microdose to human subjects. Br J Clin Pharmacol 2009, 67, 288–298	microdosing, 100 ug. N=4, median values reported. 70kg average weight assumed. However, diphenhydramine reported values differed significantly from data in non microdosing study. See above.		2009	310.46	2	0	16.1	5	cationic	3.8	1.9
-Nafcillin	147-52-4	CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O	0.22	3.3	0.13	1.1	0.7	Waller ES, Sharanevych MA, and Yakatan GJ (1982) The effect of probenecid on nafcillin disposition.  J. Clin. Pharmacol.  22: 482-489.  Bergan T (1984) Pharmacokinetics of beta-lactam antibiotics.  Scand. J. Infect. Dis. 42(Suppl): 83-98.	VDss calculated using micro rate constants reported in the reference.  Note: Plasma concentrations determined by bioassay; assumes no active metabolites.		1962	414.47	7	2	95.9	5	anionic	3.5	0.18
-Perindoprilat	95153-31-4	CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C(=O)O	0.76	1.7	0.16	7.6	29.0	Devissaguet JP, Ammoury N, Devissaguet M, and Perret L (1990) Pharmacokinetics of perindopril and its metabolites in healthy volunteers.  Fundam. Clin. Pharmacol. 4: 175-189.  Parker E, Aarons L, Rowland M, and Resplandy G (2005) The pharmacokinetics of perindoprilat in normal volunteers and patients: Influence of age and disease state.  Eur. J. Pharm. Sci. 26: 104-113.	VDss calculated from data obtained by digitization of a plot in the reference. 		1984	340.41	7	3	106.9	7	anionic	0.92	-3.2
-Topotecan	123948-87-8	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O	1.8	13.0	0.65	2.3	2.3	Schellens JHM, Creemers GJ, Beijnen JH, Rosing H, de Boer-Dennert M, McDonald M, Davies B, and Verweij J (1996) Bioavailability and pharmacokinetics of oral topotecan: a new topoisomerase I inhibitor.  Br. J. Canc. 73: 1268-1271.  van Warmerdam LJC, Verweij J, Schellens JHM, Rosing H, Davies BE, de Boer-Dennert M, Maes RAA, and Beijnen JH (1995) Pharmacokinetics and pharmacodynamics of topotecan administered daily for 5 days every 3 weeks.  Canc. Chemother. Pharmacol. 35: 237-245.  Masubuchi N, May RD, and Atsumi R (2004) A Predictive Model of Human Myelotoxicity Using Five Camptothecin Derivatives and the In vitro Colony-Forming Unit Granulocyte/Macrophage Assay.  Clin. Cancer Res. 10: 6722-6731.			1957	421.45	8	2	103.2	3	cationic	1.3	-1.5
-Cefepime	88040-23-7	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]3(C)CCCC3)\c4csc(N)n4	0.28	2.2	0.78	2.1	1.9	Kalman D, Barriere SL, Johnson BL (1992) Pharmacokinetic disposition and bactericidal activities of cefepime, ceftazidime, and cefoperazone in serum and blister fluid.  Antimicrob. Agents Chemother. 36: 453-457.  Barbhaiya RH, Forgue ST, Gleason CR, Knupp CA, Pittman KA, Weidler DJ, Movahhed H, Tenney J, and Martin RR (1992) Pharmacokinetics of cefepime after single and multiple intravenous administrations in healthy subjects. Antimicrob. Agents Chemother. 36: 552-557			1983	480.56	11	2	150.0	7	anionic	-3.6	-2.7
-Ergotamine	113-15-5	CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O	3.6	15.0	0.02	4.0	2.1	Ibraheem JJ, Paalzow L, and Tfelt-Hansen P (1985) Linear pharmacokinetics of intravenous ergotamine tartrate.  Eur. J. Clin. Pharmacol. 29: 61-66.	VDss calculated from compartmental parameters provided in the reference.		1920	581.66	10	3	118.2	4	neutral	3.6	3.5
-Tesaglitazar	251565-85-2	CCO[C@@H](Cc1ccc(OCCc2ccc(OS(=O)(=O)C)cc2)cc1)C(=O)O	0.13	0.039	0.0011	56.0	45.0	Ericsson H, Hamren B, Bergstrand S, Elebring M, Fryklund L, Heijer M, and Ohman KP (2004) Pharmacokinetics and metabolism of tesaglitazar, a novel dual acting peroxisome proliferator-activated receptor alpha/gamma agonist, after a single oral and intravenous dose in humans.  Drug Metab. Dispos.  32: 923-929.			1999	408.47	7	1	99.1	11	anionic	2.7	-0.53
-Nomifensine	24526-64-5	CN1CC(c2ccccc2)c3cccc(N)c3C1	6.0	22.0	0.4	4.5	6.5	Lindberg RLP, Syvalahti EKG, and Pihlajamaki KK (1986) Disposition of nomifensine after acute and prolonged dosing.  Clin. Pharmacol. Ther. 39: 384-388.  Heptner W, Hornke I, Cavagna F, Fehlhaber HW, Rupp W, and Neubauer HP (1978) Metabolism of nomifensine in man and animal species.  Arz. Forsch. 28: 58-64	VDss calculated from data obtained by digitization of a plot in the reference. 		1969	238.33	2	1	29.3	1	cationic	2.3	0.87
-Trimipramine	739-71-9	CC(CN(C)C)CN1c2ccccc2CCc3ccccc13	16.0	16.0	0.0509999999999999	17.0	23.0	Abernethy DR, Greenblatt DJ, and Shader RI (1984) Trimipramine kinetics and absolute bioavailability:  use of gas-liquid chromatography with nitrogen-phosphorus detection.  Clin. Pharmacol. Ther. 35: 348-353.	VDss calculated from C vs t data obtained by digitization of the plot provided in the reference.		1952	294.43	2	0	6.5	4	cationic	4.6	3.1
-Rosaramicin	35834-26-5	C1=CC([C@@H](C[C@@H]([C@@H]([C@@H](C)[C@@H](CC(O[C@@H]([C@@H](C)[C@@H]2O[C@@]12C)CC)=O)O)O[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)C)CC=O)C)=O	2.83	13.3		3.54	3.34	Pharmacokinetics and Metabolism of Rosaramicin in Humans. CHIN-CHUNG LIN, MENGER CHUNG, RICHARD GURAL, DAVID SCHUESSLER, HONG-KI KIM, ELAINERADWANSKI, ALICEANN MARCO, CHARLES DiGIORE, AND SAMSON SYMCHOWICZ. Antimicr. Agents Chemother. 1984, 26, 522-526.	Data digitized from plot reported by Lin et al . N=12 74.4 kg average weight estimated from dose/AUC vs. clearance in mL.min-1.kg-1 reported. 500 mg dose administered as 1-hr infusion. Reported clearance 13.4 mL.min-1.kg-1 and 3.78 L/kg as Vdarea. Calculated VDz 3.86 L/kg. AUC calculated 8.38 hr*ug/mL vs. reported as 8.35 hr*ug/mL.		1971	581.74	10	2	135.1	6	cationic	2.5	1.2
-Gestodene	60282-87-3	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C	0.46	0.8	0.023	9.6	10.0	Tauber U, Tack JW, and Matthes H (1989) Single dose phakmacokinetics of gestodene in women after intravenous and oral administration.  Contraception 40: 461-476.    Kuhnz W, Pfeffer M,and Al-Yacoub G (1990) Protein binding of the contraceptive steroids gestodene, 3-keto-desogestrel and ethinylestradiol in human serum.  J. Steroid Biochem. 35: 313-318.  Gui LQ and Humpel M (1990) Serum protein binding characteristics of cyproterene acetate, gestodene, levonorgestrel and norethisterone in rat, rabbit, dog, monkey and man.  J. Steroid Biochem. 35: 319-326.	VDss deteremined from Cvs t data obtained by digitization of plots in Tauber, 1989.  Protein binding very different in two reports: 0.006 in Kuhnz et al vs 0.04 in Gui and Humpel; value entered is the average.		1977	310.43	2	1	37.3	2	neutral	4.1	4.1
-Indacaterol	312753-06-3	[C@@H](O)(c1ccc(c2c1ccc(=O)[nH]2)O)CNC1Cc2c(C1)cc(c(c2)CC)CC	19.4	4.48	0.05	72.4	92.5	Pharmapendium. Indacaterol Maleate - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 022383/S-000 Part 02. Data from Table 1 on page 4 of 47.	200 ug iv dose. 70 kg assumed. MRT from VDss and Cl. Plasma protein binding from PDR. Accessed February 22 2013.		2000	392.49	5	4	85.3	6	cationic	2.6	0.27
-Nedocromil	69049-73-6	c12c(c3c(c(cc(o3)C(O)=O)=O)cc1c(cc(n2CC)C(O)=O)=O)CCC	0.43	10.2	0.11	0.7	0.9	M. G. NEALE, K. BROWN, R. A. FOULDS, S. LAL1, D. A. MORRIS & D. THOMAS. The pharmacokinetics of nedocromil sodium, a new drug for the treatment of reversible obstructive airways disease, in human volunteers and patients with reversible obstructive airways disease. Br. J. Clin. Pharmacol.  (1987), 24, 493-501//ppb: https://www.accessdata.fda.gov/drugsatfda_docs/nda/97/020750ap_Tilade_clinphrmr.pdf. Accessed June 15 2017.	420 ug total dose administered as 0.2 ug.kg-1.min-1 in 30 minutes. 70 kg average weight N=6 healthy. MRT from VDss and clearance.	80% excreted unchanged also reported in the FDA approval package. Very small amount excreted in urine after po or inhalation.	1978	371.34	8	2	127.1	5	anionic	2.8	-3.1
-Bunazosin	80755-51-7	CCCC(=O)N1CCCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	0.72	4.8	0.06	2.5	2.0	Morishita N, Tomono Y, Hasegawa J, and Heuer HJ (1993)  Single dose crossover study to evaluate the absolute bioavailability of a sustained-release formulation of bunazosin (E1015) in healthy male volunteers.  Drug Invest.  6:  5-9.  Yamato C, Takahashi T, Tadano K, Kinoshita K, and Fujita T (1985)  The metabolic fate of bunazosin hydrochloride (2). Studies on the transfer to fetus and milk, plasma protein binding, tissue accumulation and effect on drug-metabolizing enzymes. Oyo Yakuri  30: 257-265.			1980	373.45	8	1	93.8	5	neutral	2.7	2.6
-Fosfluconazole	194798-83-9	OP(=O)(O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F	0.15	1.3	0.042	2.0	2.1	Sobue S, Tan K,  Layton G, Leclerc V, and Weil A (2004) The effects of renal impairment on the pharmacokinetics and safety of fosfluconazole and fluconazole following a single intravenous bolus injection of fosfluconazole.  Br. J. Clin. Pharmacol. 57: 773-784.			1997	386.25	10	2	128.2	7	anionic	-0.79	-5.1
-Danusertib	827318-97-8	N(C(=O)C(=CC=C1N(CCN2C)CC2)C=C1)C(C(=C1C2)CN2C([C@H](OC)C(=CC=C2)C=C2)=O)=NN1	2.5	6.1		6.8	25.0	Weighted data digitized from Fig. 1B (N=12, dose 500 mg/m2 (12.5 mg/kg) 24h i.v. infusion) and Fig. 1C (N=6, dose 750 mg/m2 (18.75 mg/kg) 24h i.v. infusion) in Cohen, Roger B.; Jones, Suzanne F.; Aggarwal, Charu; von Mehren, Margaret; Cheng, Jonathan; Spigel, David R.; Greco, F. Anthony; Mariani, Mariangela; Rocchetti, Maurizio; Ceruti, Roberta; Comis, Silvia; Laffranchi, Bernard; Moll, Jurgen; Burris, Howard A.  A Phase I Dose-Escalation Study of Danusertib (PHA-739358) Administered as a 24-Hour Infusion with and without Granulocyte Colony-Stimulating Factor in a 14-Day Cycle in Patients with Advanced Solid Tumors.   Clinical Cancer Research  (2009),  15(21),  6694-6701.	The Fig. 4 is not plotted in van Tellingen O. et al, Cancer Chemother Pharmacol, 1998, 41, 377-384 where another patient profile with a different dose is shown in the Fig. 5		2005	474.55	9	2	93.8	6	cationic	1.6	0.62
-Sparfloxacin	110871-86-8	C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O	3.9	2.7	0.55	24.0	20.0	Zagam Product Label. Montay. G. Journal of Antimicrobial Chemotherapy (1996), 37, Suppl. A, 27-39 Pharmacokinetics of sparfloxacin in healthy volunteers and patients			1987	392.4	7	3	98.9	3	zwitterionic	2.7	-0.36
-Lesinurad	878672-00-5	c1ccc2c(c1)c(ccc2n3c(nnc3Br)SCC(=O)O)C4CC4	0.29	1.43	0.02	3.33	5.0	http://irwdpi.com/zurampic/zurampic.pdf#page=1 Prescribing information. Accessed February 27, 2017.	RDEA594, Zurampic. Absolute BA approximately 100%. 70 kg average weioght assumed. MRT from clearance and VDss. Ppb reported as > 98%.		2006	404.28	5	1	68.0	5	anionic	2.4	-0.86
-Bepridil	64706-54-3	N(c1ccccc1)(C[C@@H](N1CCCC1)COCC(C)C)Cc1ccccc1	10.1	8.7	0.001	19.3	14.9	Pharmacokinetics of intravenous bepridil in patients with coronary disease By Lesko, Lawrence J.; Benotti, Joseph R.; Alpert, Joseph S.; Brady, Priscilla M.; McCue, Jane E.; Weiner, Bonnie H.; Ockene, Ira S. From Journal of Pharmaceutical Sciences (1986), 75(10), 952-4. ppb: NIGEL J. WATERS, RACHEL JONES, GARETH WILLIAMS, BINDI SOHAL (2008). Validation of a Rapid Equilibrium Dialysis Approach for the Measurement of Plasma Protein Binding, 97, 4586-4595.	MRT= VDss/CL. N=10. All patients with normal baseline hemodynamic and renal functions. Plots available.		1977	366.54	3	0	15.7	10	cationic	5.4	4.9
-Ritipenem 	84845-58-9	C1(=O)N2[C@@H]([C@H]1[C@H](O)C)SC(COC(N)=O)=C2C(=O)[O-].[Na+]	0.24	7.55	0.72	0.54	0.54	. Weighted data for diverse doses and number of patients (N=61) from Table XII (BW 65-80 kg) in Lovering, A. M.; White, L. O.; Lewis, D. A.; MacGowan, A. P.; Routh, K. R.; Pickin, D. M.; Reeves, D. S.  Pharmacokinetics of FCE 22101 in man following different modes of administration.    Journal of Antimicrobial Chemotherapy  (1989),  23(Suppl. C),  179-95; and from Table 2 in Jannuzzo, M. G.; Mandelli, M.; Strolin Benedetti, M.; Moro, E.; Carnovali, M.; Vaiani, R.; Sassella, D.  Pharmacokinetics and tolerance of a new penem antibiotic, FCF 22101, in healthy volunteers after a single intravenous dose.    European Journal of Clinical Pharmacology  (1989),  36(6),  633-635.    fu in Efthymiopoulos, C.; Battaglia, R.; Strolin Benedetti, M.  Animal pharmacokinetics and interspecies scaling of FCE 22101, a penem antibiotic.    Journal of Antimicrobial Chemotherapy  (1991),  27(4),  517-26.	FCE-22101. In Jannuzzo et al the renal CL = 1.94 mL/min/kg was also reported. CAS number reported refers to sodium salt. Parent compound CAS 84845-57-8.		1982	310.26	8	2	133.0	5	anionic	-2.1	-5.6
-Tofogliflozin	903565-83-3	CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3	0.63	2.07	0.46	5.1	4.7	Dietmar Schwab, Agnes Portron, Zoe Backholer, Berthold Lausecker, Kosuke Kawashima.  A Novel Double-Tracer Technique to Characterize Absorption, Distribution, Metabolism and Excretion (ADME) of [14C]Tofogliflozin After Oral Administration and Concomitant Intravenous Microdose Administration of [13C]Tofogliflozin in Humans. Clin Pharmacokinet 2013, 52, 463–473.	Microdose, 100 ug total, N=6, 80.4 kg average reported weight.		2006	386.44	6	4	99.4	4	neutral	1.6	1.6
-Tobramycin	32986-56-4	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O	0.23	1.6	1.0	2.4	2.0	Bourget P, Fernandez H, Delouis C, abd Taburet AM (1991) Pharmacokinetics of tobramycin in pregnant women, safety and efficacy of a once-daily dose regimen.  J. Clin. Pharm. Ther.  16: 167-176.  Champoux N, Du Souich P, Ravaoarinoro M, Phaneuf D, Latour J, and Cusson JR (1996) Single-dose pharmacokinetics of ampicillin and tobramycin administered by hypodermoclysis in young and older healthy volunteers.  Br. J. Clin. Pharmacol. 42: 325-331.  Gordon RC, Regamey C, and Kirby WMM (1972) Serum protein binding of the aminoglycoside antibiotics.  Antimic. Agents Chemother. 2: 214-216.	Data from Champeaux et al was digitized to calculate parameters.  		1971	467.51	14	10	268.2	6	cationic	-7.0	-8.5
-Bilobalide	33570-04-6	CC(C)(C)C1(O)CC2OC(=O)CC23C(=O)OC4OC(=O)C(O)C134	2.5	10.0		4.0	3.2	Fourtillian JB, Brisson AM, Girault J, Ingrand I, Decourt JP, Drieu K, Jouenne P, and Biber A (1995) Proprietes pharmaccinetiques du bilobalide et des ginkgolides A et B chez le sujet sain apres administrations intraveineuses et orales d'extrait de Ginkgo biolba (EGb 761).  Therapie  50: 137-144.			1971	326.3	8	2	119.4	0	neutral	-3.4	-3.4
-Valdecoxib	181695-72-7	o1nc(c(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccccc1	0.75	1.4	0.02	9.4	7.4	Valdecoxib - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 021341/S-000 Part 02	72.5 median weight reported. 10 mg administered as 30' infusion. N=24. 	Valdecoxib - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 021341/S-000 Part 02	1996	314.36	5	1	86.5	3	neutral	2.5	2.5
-Abacavir	136470-78-5	Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1	0.84	13.0	0.5	1.1	1.0	Chittick GE, Gillotin C, McDowell JA, Lou Y, Edwards KD, Prince WT, and Stein DS. (1999) Abacavir: absolute bioavailability, bioequivalence of three oral formulations, and effect of food.    Pharmacotherapy 19: 932-942.  Ziagen Product Label.			1991	286.33	7	3	101.9	4	neutral	0.99	0.99
-Dalfampridine	504-24-5	c1(ccncc1)N	2.6	9.3	1.0	4.7	3.6	Donald R. A. Uges, Pharm.D., Yung Jai Sohn, M.D.,* Ben Greijdanus,Arnold H. J. Scat, Ph.D., Sandor Agoston, M.D., Ph.D. 4-Aminopyridine kinetics. Clin. Pharmacol. Ther. 1982, 31, 587-593.	4-aminopyridine. N=9 (7M and 2F). 71.6 kg average weight, 20 mg dose.	Donald R. A. Uges, Pharm.D., Yung Jai Sohn, M.D.,* Ben Greijdanus,Arnold H. J. Scat, Ph.D., Sandor Agoston, M.D., Ph.D. 4-Aminopyridine kinetics. Clin. Pharmacol. Ther. 1982, 31, 587-593. Approximately 90% excreted unchanged in urine.	1915	94.11	2	1	38.9	0	cationic	-0.12	-1.4
-Iopentol	89797-00-2	c1(c(c(c(I)c(c1I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I)N(C[C@@H](COC)O)C(C)=O	0.2	1.27	1.0	2.64	2.04	Waaler A; Jorgensen N P; Koksvik B; Skinnemoen K; Andrew E. Pharmacokinetics of iopentol in healthy volunteers. Acta radiol. Suppl. 1987, 370, 113-117.//ppb: Thomas Lehnert, Erich Keller, Klaus Gondolf, Tanja Schäffner, Hermann Pavenstädt and Peter Schollmeyer. Effect of haemodialysis after contrast medium administration in patients with renal insufficiency. Nephrol Dial Transplant, 1998, 13,358–362.	Dose expressed in gI/kg. 2.19 correction factor for MW of iopentol (reported as such in plot). Dose digitized 1.2 gI/kg corresponding to 2.36 gI/kg of iopentol. Digitization yielded clearance within 20% of reported. No AUC available. Linear kinetics within range of doses. N =8, 74 kg average weight, infusion time 5.5 min	Completely excreted renally. Unchanged	1984	835.16	12	7	188.9	13	neutral	-2.2	-2.2
-Tacrine	321-64-2	Nc1c2CCCCc2nc3ccccc13	11.0	56.0	0.25	3.3	3.3	Lou G, Montgomery PR, and Sitar DS (1996) Bioavailability and pharmacokinetic disposition of tacrine in elderly patients with Alzheimer's disease.  J. Psych. Neurosci.  21: 334-339.  Makela PM, Truman CA, Ford JM, and Roberts CJC (1994) Characteristics of plasma protein binding of tacrine hydrochloride: a new drug for Alzheimer's disease. Eur. J. Clin. Pharmacol. 47:  151-155.			1945	198.26	2	1	38.9	0	cationic	3.3	0.83
-PR-104	851627-62-8	N(CCO[S](C)(=O)=O)(CC[Br])C(=C(C(NCCO[P](=O)(O)O)=O)C=C1N(=O)=O)C(N(=O)=O)=C1	0.86	44.8		0.32	0.1	A phase I trial of PR-104, a pre-prodrug of the bioreductive prodrug PR-104A, given weekly to solid tumour patients Mark J McKeage, Yongchuan Gu, William R Wilson, Andrew Hill, Karen Amies, Teresa J Melink and Michael B Jameson. BMC Cancer 2011, 11:432.	Phosphate pre-prodrug. Weighted average across 135-900  mg/m2 doses. N= 25 total patients. 1hr intravenous infusion of day 1 of cycle 1. MRT calculated from VDss and clearance averages.		2005	579.27	16	3	234.1	14	anionic	0.27	-4.6
-Elinafide	162706-37-8	C(CCNCCN1C(=O)c2c(ccc3ccccc23)C1=O)NCCN1C(=O)c2c(ccc3ccccc23)C1=O	12.0	5.7		35.2	52.6	Phase I and Pharmacokinetic Study of LU79553, a DNA Intercalating Bisnaphthalimide, in Patients With Solid Malignancies Miguel A. Villalona-Calero, Joseph P. Eder, Deborah L. Toppmeyer, Lee F. Allen, Robert Fram, Raja Velagapudi, Michael Myers, Anthony Amato, Kathleen Kagen-Hallet, Betty Razvillas, Donald W. Kufe, Daniel D. Von Hoff, and Eric K. Rowinsky. Journal of Clinical Oncology, 2001 19, 857-869.	LU79553. N=14 across doses ranging from 2 to 24 mg/m2/day.		1995	520.58	8	2	98.8	10	cationic	3.7	2.9
-Spectinomycin	1695-77-8	CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O	0.13	0.99		2.2	1.8	Wagner, JG, Novak, E, Leslie, LG, Metzler, CM (1968) Absorption, distribution and elimination of spectinomycin dihydrochloride in man.  Int. Zeit. Klin. Pharmakol. Ther. Toxikol. 1: 261-285. 	VDss calculated from C vs t data obtained by digitization of plots in the reference.		1961	332.35	9	5	129.5	2	cationic	-2.9	-5.3
-Peldesine	133432-71-0	c12c(Cc3cccnc3)c[nH]c1c([nH]c(n2)N)=O	1.2	6.2	0.86	3.2	3.0	Viegas TX, Omura GA, Stoltz RR, Kisicki J.Pharmacokinetics and pharmacodynamics of peldesine (BCX-34), a purine nucleoside phosphorylase inhibitor, following single and multiple oral doses in healthy volunteers. J Clin Pharmacol. 2000 Apr;40(4):410-20.	BCX-34. data digitized from figure 3. N=9, 18 mg/m2 (1.9 m2 average BSA, 77 kg average weight) in 30' infusion.reported AUC= 1104 hr*ng/mLreported clearance = 33.3 L/hreported t1/2 = 2.1 h	Calculated from the ratio of Ae (29 mg) and dose (18 mg/m2*1.9m2 = 34.2 mg)	1991	241.25	6	3	100.5	2	neutral	-0.38	-0.38
-Carebastine	90729-42-3	C1C(CCN(C1)CCCC(c1ccc(C(C(=O)O)(C)C)cc1)=O)OC(c1ccccc1)c1ccccc1	0.41	0.4	0.05	16.7	9.8	J.M. JANSAT, C.F. LASTRA, E.L. MARINO Comparative study of different weighting methods in non-linear regression analysis: implications in the parametrization of carebastine after intravenous administration in healthy volunteers. Int. J. Clin. Pharmacol. Ther., Vol. 1998, 36, 340-344.//ppb: A del Cuvillo, J Mullol, J Bartra, I Dávila, I Jáuregui, J Montoro, J Sastre, AL Valero. Comparative pharmacology of the H1 antihistamines. J Investig Allergol Clin Immunol 2006, 16, Suppl. 1:3-12.	Data taken from Table 1. 77 kg median weight, 10 mg total dose. N=8. VDss from MRT and clearance.		1985	499.64	5	1	66.8	11	zwitterionic	5.9	3.0
-Maraviroc	376348-65-1	[H]N(C(C1CCC(CC1)(F)F)=O)[C@H](CCN1[C@H]2CC[C@@H]1CC(C2)n1c(C)nnc1C(C)C)c1ccccc1	2.3	9.4	0.25	4.2	12.8	Abel S. et al. (2008) Assessment of the absorption, metabolism and absolute bioavailability of maraviroc in healthy males subjects. Br. J. Clin. Pharmacol. 65:Suppl.1 60-67//ppb from Walker et al. DMD 2005, 33, 587-595	N=8 in study 2 cohort 1 and N=8 in cohort 2. Overall average weight 80 kg, average of two cohhorts at 30 mg i.v.		2001	513.67	6	1	63.0	8	cationic	4.5	3.1
-Tetrahydrocannabinol, D9-	1972-08-3	CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1	8.9	3.2	0.05	46.0	33.0	Wall ME, Sadler BM, Brine D, Taylor H, and Perez-Reyes M (1983)  Metabolism, disposition, and kinetics of delta-9-tetrahydrocannabinol in men and women.  Clin. Pharmacol. Ther. 34: 352-363.  Busto U, Bendayan R, and Sellers EM (1989) Clinical pharmacokinetics of non-opiate abused drugs.  Clin. Pharmacokinet. 16: 1-26.	Dronabinol. Δ9-THC. VDss was calculated using C vs t data  provided in the reference.		1940	314.46	2	1	29.5	4	neutral	7.0	7.0
-Nisoldipine	63675-72-9	COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OCC(C)C)C	5.5	15.0	0.003	6.5	11.0	van Harten J, van Brummelen P, Lodewijks MTM, Danhof M, Breimer DD (1988) Pharmacokinetics and hemodynamic effects of nisoldipine and its interaction with cimetidine.  Clin. Pharmacol. Ther. 43: 332-341.  van Harten J, van Brummelen P, Wilson JHP, Lodewijks MTM, and Breimer DD (1988) Nisoldipine: kinetics and effects on blood pressure and heart rate in patients with liver cirrhosis after intravenous and oral administration.  Eur. J. Clin. Pharmacol. 34: 387-394.  			1977	388.41	8	1	110.4	8	neutral	3.7	3.7
-Propranolol	525-66-6	CC(C)NCC(O)COc1cccc2ccccc12	3.1	12.0	0.13	4.3	3.4	Henry JA and Mitchell SN (1981) Effect of pH on human plasma protein binding of a series of .beta.-adrenoceptor antagonists.  Br. J. Clin. Pharmacol. 11: 119P-120P.  Cheymol G, Poirier JM, Carrupt PA, Testa B, Weissenburger J, Levron JC, and Snoeck E (1997) Pharmacokinetics of .beta.-adrenoceptor blockers in obese and normal volunteers.  Br. J. Clin. Pharmacol. 43: 563-570. 			1964	259.34	3	2	41.5	6	cationic	2.7	0.93
-Tolterodine	124937-51-5	CC(C)N(CC[C@H](c1ccccc1)c2cc(C)ccc2O)C(C)C	1.5	8.4	0.0369999999999999	3.0	2.4	Brynne N, Stahl MMS, Hallen B, Edlund PO, Palmer L, Hoglund P, and Gabrielsson J (1997) Pharmacokinetics and pharmacodynamics of tolterodine in man: a new drug for the treatment of urinary bladder overactivity.  Int. J. Clin. Pharmacol. Ther. 35: 287-295.  Brynne N, Dalen P, Alvan G, Bertilsson L, and Gabrielsson J (1998) Influence of CYP2D6 polymorphism on the pharmacokinetics and pharmacodynamics of tolterodine.  Clin. Pharmacol. Ther. 63: 529-539.  Pahlman I and Gozzi P (1999) Serum protein binding of tolterodine and its major metabolites in humans and several animal species.  Biopharm. Drug Dispos. 20: 91-99.	Data from CYP2D6 EM subjects included.		1989	325.49	2	1	23.5	7	cationic	5.4	3.6
-Fleroxacin	79660-72-3	CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O	1.6	2.4	0.73	11.0	8.6	Weidekamm E, Portmann R, Suter K, Partos C, Dell D, and Lucker PW (1987) Single- and multiple-dose pharmacokinetics of fleroxacin, a trifluorinated quinolone, in humans.  Antimic. Agents Chemother. 31: 1909-1914.  Bergogne-Berezin E (2002) Clinical role of protein binding of quinolones.  Clin. Pharmacokinet. 41: 741-750.			1981	369.34	6	1	64.1	4	zwitterionic	2.0	-0.27
-Bosentan	147536-97-8	COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4	0.29	2.1	0.0369999999999999	2.3	4.1	Weber C, Schmitt R, Birnboeck H, Hopfgartner G, Eggers H, Meyer J, Van Marle S, Viischer HW, and Jonkman JHG (1999)  Multiple-dose pharmacokinetics, safety, and tolerability of bosentan, an endothelin receptor antagonist, in healthy male volunteers.  J. Clin. Pharmacol. 39:  703-714.  Weber C, Schmitt R, Birnboeck H, Hopfgartner G, Van Marle SP, Peeters PAM, Jonkman JHG, and Jones CR (1996) Pharmacokinetics pharmacodynamics of the endothelin-receptor antagonist bosentan in healthy human subjects.  Clin. Pharmacol. Ther. 60: 124-137.			1992	551.61	11	2	145.6	10	anionic	3.9	0.76
-Dezocine	53648-55-8	c12[C@@]3([C@H]([C@@H](CCCCC3)Cc1ccc(c2)O)N)C	5.6	27.5	0.08	4.6	3.9	Wilson JM, Cohen RI, Kezer EA, Schange SJ, Smith ER. Single- and multiple-dose pharmacokinetics of dezocine in patients with acute or chronic pain.J Clin Pharmacol. 1995 Apr;35(4):398-403.	Doses from 5-20. averaged by authors.		1976	245.36	2	2	46.3	0	cationic	3.0	1.1
-Sipatrigine	130800-90-7	c1(c2c(nc(N3CCN(C)CC3)nc2)N)c(c(cc(c1)Cl)Cl)Cl	15.31	20.9		12.26	10.98	A. J. MERCER, R. J. LAMB, HUSSEIN, S. HOBBIGER, J. POSNER. The Tolerability, Pharmacokinetics and Pharmacodynamics of Increasing Intravenous Doses of 619C89, a Novel Compound for the Acute Treatment of Stroke, in Healthy Volunteers. Ann N. Y. Acad. Sci., 1995, 754, 324-326.	 619C89. Data digitized from reported plot. 1 mg/kg only but linear PK. N=8, 70 kg average weight assumed. Reported AUCinf = 885 ng.hr.mL-1. Calculated 798 ng.hr.mL-1 (11% difference). Clearance reported 1.2 L.hr-1.kg-1. Calculated 1.25 L.hr-1.kg-1.	in STROKE PATIENTS: Z. HUSSEIN, I. J. FRASER, K. R. LEES, K. W. MUIR, M. W. LUNNON, S. F. HOBBIGER, J. POSNER. Pharmacokinetics of 619C89, a novel neuronal sodium channel inhibitor, in acute stroke patients after loading and discrete maintenance infusions. Br J Clin Pharmacol 1996; 41: 505–511//619C89. 5 dose groups (loading and maintenance infusion). Data were weight averaged accoding to number of patients. N=23 overall (N=22 for t1/2). Reported mean body weight 74 kg.	1990	372.68	5	1	58.3	2	cationic	4.4	3.6
-Conivaptan	210101-16-9	Cc1nc2CCN(C(=O)c3ccc(NC(=O)c4ccccc4c5ccccc5)cc3)c6ccccc6c2[nH]1	0.76	3.0	0.01	4.2	6.7	Vaprisol Product Label	VDss was calculated using C vs t data obtained by digitization of the plot provided in the product label.		1998	498.57	6	2	78.1	4	cationic	5.5	5.0
-Telithromycin	191114-48-4	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCn4cnc(c4)c5cccnc5)C(=O)O[C@]13C)OC	3.0	14.0	0.41	3.6	12.0	Perret C, Lenfant B, Weinling E, Wessels DH, Scholtz HE, Montay G, and Sultan E (2002) Pharmacokinetics and Absolute Oral Bioavailability of an 800-mg Oral Dose of Telithromycin in Healthy Young and Elderly Volunteers.  Chemotherapy 48: 217-223.  Yamazaki H, Lamy S, Ducelier C, Bonnat C, and Lenfant B (2003) Study of binding of telithromycin to human serum proteins. Nippon Kagaku Ryoho Gakkai Zasshi  51: 206-209. 			1995	812.0	15	1	171.8	11	cationic	3.7	2.4
-Laromustine	173424-77-6	CS(=O)(=O)[N@@](N(S(=O)(=O)C)C(=O)NC)CCCl	0.88	23.1		0.63	0.49	A Phase I and Pharmacokinetic Study of VNP40101M, a Novel Sulfonylhydrazine Alkylating Agent, in Patients with Refractory LeukemiaFrancis Giles, Deborah Thomas,Guillermo Garcia-Manero, Stefan Faderl,Jorge Cortes, Srdan Verstovsek, Alessandra Ferrajoli,Sima Jeha,Miloslav Beran, Charles Koller, Michael Andreeff, Ann Cahill,Caroline Clairmont, Mario Sznol, and Hagop Kantarjian Cli. Cancer Res. 2004 Vol. 10, 2908–2917.	VNP40101M or cloretazine. Dose range from 220 to 708 ,g/m2. Weighted average across number of courses for each dose. MRT calculated from VDss and clearance reported. Variable infusion time (15-70 minutes)		1996	307.78	8	1	103.9	5	neutral	-1.4	-1.4
-Methyldopa	555-30-6	C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O	0.69	3.5	0.85	3.3	5.9	Skerjanec A, Campbell NRC, Robertson S, and Tam YK (1995) Pharmacokinetics and presystemic gut metabolism of methyldopa in healthy human subjects.  J. Clin. Pharmacol. 35: 275-280.  Stenbaek O, Myhre E, Rugstag HE, Arnold E, and Hansen T (1977) Pharmacokinetics of methyldopa in healthy man.  Eur. J. Clin. Pharmacol. 12: 117-123.  Myhre E, Rugstad HE, and Hansen T (1982) Clinical pharmacokinetics of methyldopa.  Clin. Pharmacokinet. 7: 221-233.			1952	211.21	5	4	103.8	3	zwitterionic	0.66	-2.1
-Homoharringtonine	26833-87-4	[C@@]123[C@@H]([C@@H](C(=C1)OC)OC(=O)[C@](CC(=O)OC)(O)CCCC(O)(C)C)c1c(cc4c(c1)OCO4)CCN2CCC3	1.8	2.96		10.2	9.8	Clinical pharmacology of homoharringtonine Savaraj N; Lu K; Dimery I; Feun L G; Burgess M; Keating M; Loo T L Cancer treatment reports (1986), 70(12), 1403-7.  	Omacetaxine mepesuccinate Reported averages in table 1 for HHT. Dosed by 6-hour infusion at 3-4 mg/m2, N=8. MRT from Cl and VDss.		1970	545.62	10	2	124.0	10	cationic	0.95	0.17
-Dicloxacillin	3116-76-5	Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl	0.11	2.0	0.033	0.92	0.88	Dittert LW, Griffen WO, LaPiana JC, Shainfeld FJ, and Doluisio JT (1969) Pharmacokinetic interpretation of penicillin levels in serum and urine after intravenous administration.  Antimic. Agents Chemother. 9, 42-48.  Roder BL, Frimodt-Moller, Espersen F, and Rasumussen SN (1995) Dicloxacillin and flucloxacillin: pharmacokinetics, protein binding and serum bacteriocidal titers in healthy subjects after oral administration.  Infection 23: 107-112.	VDss calculated using micro rate constants reported in the reference by Dittert, et al.  Concentrations determined using a bioassay.  		1964	470.33	8	2	113.0	4	anionic	3.3	0.023
-Endralazine	39715-02-1	N\N=C\1/NN=C2CCN(CC2=C1)C(=O)c3ccccc3	2.2	13.0		2.7	5.6	Reece PA, Cozamanis I, and Zacest R (1983) Endralazine - a new hydralazine-like antihypertensive with high systemic bioavailability.  Eur. J. Clin. Pharmacol. 25: 553-556.			1972	269.3	6	2	83.1	1	cationic	1.9	1.9
-Dobesilic acid	88-46-0	O=S(=O)(O)c1c(O)ccc(O)c1	0.12	0.87		2.41	2.01	G. Franke, T. Schneider, W. Siegmund, A. Scherber. Bioavailability studies of calcium dobesilate- a case of flip-flop kinetics. Pharmazie, 1985, 40, 562-563. 	N=10, iv bolus, 500 mg dose, 68.7 kg average weight. AUCinf digitized 139.7 mg.h.L-1, reported 139 mg.hr.L-1 (AUC0-t digitized 137.4 mg.hr.L-1). 	Administered as calcium salt. Structure and CAS# refers to neutral compound.	1923	190.17	5	3	94.8	1	neutral	-1.1	-4.0
-Repinotan	144980-29-0	O=C1N(CCCCNC[C@H]2CCc3ccccc3O2)S(=O)(=O)c4ccccc14	0.21	2.2		1.6	1.2	Heining R,  Sundaresan P, Shah A and Boettcher M (2005) Effect of Gender and Age on the Pharmacokinetics of Repinotan.  Clin. Drug. Invest. 25: 125-134.  			1992	400.49	6	1	75.7	7	cationic	3.9	3.5
-CEP-18770	847499-27-8	C(N[C@H](C(N[C@@H](CC(C)C)[B](O)O)=O)[C@@H](C)O)(=O)C(=NC(=C1)C(=C2)C=CC=C2)C=C1	0.87	0.29		50.6	42.1	Sala F et al. Development and validation of a high-performance liquid chromatography–tandemmass spectrometry method for the determination of the novel proteasome inhibitor CEP-18770 in human plasma and its application in a clinical pharmacokinetic study. J. Mass. Spectrom. 2010, 45, 1299–1305	Data digitized from figure 4	Delanzomib. Data received by Dr. M. Zucchetti, Mario Negri Research Institute, Milan, Italy.  See also Gallerani, Zucchetti et al. Eur. J.  Cancer 2013, 49, 290-296.	2005	413.28	8	5	131.8	9	neutral	1.9	1.9
-Bumecaine	30103-44-7	CCCCN1CCCC1C(=O)Nc2c(cc(cc2C)C)C	1.73	19.19		1.51	1.58	Piotrovskii, V. K.; Blagodatskikh, S. V.; Ryabokon, O. S.; Metelitsa, V. I.; Smirnov, V. K.; Gorshkov, V. A.; Mazur, N. A.; Pryanishnikova, N. T.  Clinical pharmacokinetics of pyromecaine. I. Single intravenous administration Khimiko-Farmatsevticheskii Zhurnal (1983), 17(12), 1427-32	Pyromecaine. N=10 all male patients, 100 mg iv dose. MRT from reported clearance and VDss.		1970	288.43	3	1	32.3	5	cationic	4.0	3.3
-Carboplatin	41575-94-4	N[Pt+2]1(N)[O-]C(=O)C2(CCC2)C(=O)[O-]1	0.26	1.5	1.0	3.0	2.0	Elferink F, van der Vijgh WJ, Klein I, Vermorken JB, Gall HE, and Pinedo HM (1987) Pharmacokinetics of carboplatin after i.v. administration.    Cancer Treatment Rep.  71: 1231-1237.  Gaver RC, George AM, and Deeb G (1987) In vitro stability, plasma protein binding and blood cell partitioning of 14C-carboplatin.  Cancer Chemother. Pharmacol. 20: 271-276.	Used 1.6 m2 = 60 kg since the study was done in all females.		1982	369.24	6	2	108.8	0			
-Disopyramide	3737-09-5	CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C	0.52	0.9	0.16	9.6	7.0	Lima JJ, Haughey DB, and Leier CV (1984) Disopyramide pharmacokinetics and bioavailability following the simultaneous administration of disopyramide and 14C-disopyramide.  J. Pharmacokinet. Biopharm. 12: 289-313.			1962	339.47	4	1	59.2	8	cationic	2.2	-0.11
-LY2090314	603288-22-8	C1(C2C3C(N(C(C=3C(N=C(N3C=CC4)C=4)=C3)=O)[H])=O)[C@@H](N(C=2)C2)[C@@H](C=C(C=1)F)CN(C2)C(=O)N(CCCC1)C1	1.2	10.3	0.02	1.9	2.7	Pharmacokinetics, metabolism, and excretion of the GSK-3 inhibitor LY2090314 in rats, dogs, and humans: A case study in rapid clearance by extensive metabolism with low circulating metabolite exposures. Maciej J. Zamek-Gliszczynski, Trent L. Abraham, Jeffrey J. Alberts, Palaniappan Kulanthaivel, Kimberley A. Jackson, Kay H. Chow, Denis J. McCann, Haitao Hu, Shelby Anderson, Nathan A. Furr, Robert J. Barbuch, and Kenneth C. Cassidy. Drug Metabolism & Disposition (2013), 41(4), 714-726	N=12 across dose range from 10 to 120 mg. 70 kg assumed as average weight. N=2 per dose group.		2003	514.55	9	1	90.3	2	neutral	3.5	3.5
-Atomoxetine	83015-26-3	CNCC[C@@H](Oc1ccccc1C)c2ccccc2	0.85	9.3	0.02	1.5	5.2	Strattera Product Label	CYP2D6 EM data MRT is calculated as VD/CL; CL was calculated as CLpo/F (F=63%)		1982	255.35	2	1	21.3	6	cationic	3.6	1.5
-Metaproterenol	586-06-1	CC(C)NCC(c1cc(cc(c1)O)O)O	6.03	14.07	0.9	7.14	6.41	Dengler HJ, Hengstmann JH. Metabolism and pharmacokinetics of orciprenaline in various animal species and man. Arch. Int. Pharmacodyn. 1976, 223, 71-87.//ppb: Heckner, R.M. Systematic study of protein binding of biologically active substances. Pharmather. 1979, 2, 177-186.	ORCIPRENALINE. N=5 after infusion (20-30') of 0.8 mg of the drug. 70 kg assumed as average weight. T1/2 calculated from 0.693/beta. MRT from VDss/clearance.		1961	211.26	4	4	72.7	4	cationic	0.56	-0.66
-1-Aminocyclopropanecarboxylic Acid	22059-21-8	[H]N([H])C1(CC1)C(=O)O[H]	0.73	1.5		7.8	5.9	Cherkofsky, S.C. (1995) 1-Aminocyclopropylcarboxylic acid: mouse to man interspecies pharmacokinetic comparisons and allometric relationships.  J. Pharm. Sci.  84: 1231-1235.			1922	101.1	3	2	63.3	3	zwitterionic	-0.66	-2.4
-Enalaprilat	76420-72-9	C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O	0.38	1.6	0.62	4.0	39.0	Hockings N, Ajayi AA, and Reid JL (1986) Age and the pharmacokinetics of angiotensin converting enzyme inhibitors enalapril and enalaprilat.  Br. J. Clin. Pharmacol. 21: 341-348.  Mujais  SK, Quintanilla A, Zahid M, Koch K, Shaw W, and Gibson T (1992) Renal handling of enalaprilat.    Am. J. Kidney Dis. 19: 121-125.			1980	348.39	7	3	106.9	8	anionic	0.73	-3.4
-Bisoprolol	66722-44-9	CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1	2.4	3.7	0.66	11.0	10.0	Horikiri Y, Suzuki T, and Mizobe M (1998) Pharmacokinetics and Metabolism of Bisoprolol Enantiomers in Humans.  J. Pharm. Sci. 87: 289-294.  Leopold G, Pabst J, Ungethuem W, and Buehring KU (1986) Basic pharmacokinetics of bisoprolol, a new highly beta1-selective adrenoceptor antagonist.  J. Clin. Pharmacol. 26: 616-621.  	VDss calculated from C vs t data obtained by digitization of the plot provided by Leopold et al.		1978	325.44	5	2	59.9	12	cationic	2.2	0.46
-Cefodizime	69739-16-8	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nc(C)c(CC(=O)O)s3)\c4csc(N)n4	0.054	0.61	0.18	1.5	4.2	Bryskier A, Procyk T, Tremblay D, Lenfant B, and Fourtillan JB (1990) The pharmacokinetics of cefodizime following intravenous and intramuscular administration of a single dose of 1.0 g.  J. Antimic. Chemother. 26(Suppl C): 59-63.  Scaglione F, Demartini G, Arcidiacono MM, Dugnani S, and Fraschini F (1997) Serum protein binding and extravascular diffusion of cefodizime and ceftriaxone. An in vivo study.  Clin. Drug Inv. 14: 211-216.	VDss calculated from C vs t data provided in the reference.		1978	584.67	13	4	197.4	10	anionic	1.3	-4.9
-Amifloxacin	86393-37-5	c12c(c(c(C(O)=O)cn1NC)=O)cc(F)c(c2)N1CCN(C)CC1		4.56			4.66	Schentag J J et al. Pharmacokinetics of Amifloxacin After Oral and Intravenous Administration. Review of infectious diseases. 1989  11, suppl 5	Average of 4 (doses 200, 400, 600 every 12h and 400 every 8h, N=5  male for each one). Values reported as steady state. Average CL renal = 2.38 mL/min/kg (52% of total)		1983	334.35	7	2	77.8	3	cationic	2.4	0.2
-Fingolimod	162359-55-9	c1(ccc(cc1)CCCCCCCC)CCC(CO)(N)CO	17.3	1.53	0.002	189.0	144.0	PP. Fingolimod Hydrochloride - FDA Approval PackagePharmacology Review 022527/S-000 Part 04	MRT from VDss and Cl. N=11, (5M/6F) 1 mg dose iv injection, reported average weight 69.1 kg. Reported source, study A0108. ppb reported as 99.7 to 99.9% across species. 99.8% taken	PDR. Accessed February 21 2013. http://www.pdr3d.com/detail.php?c=64159#section-13.  After oral administration, about 81% of the dose is slowly excreted in the urine as inactive metabolites. Fingolimod and fingolimod-phosphate are not excreted intact in urine but are the major components in the feces with amounts of each representing less than 2.5% of the dose. 	1994	307.47	3	3	66.5	12	cationic	3.7	2.6
-Ethimizol	64-99-3	c1(c(ncn1CC)C(NC)=O)C(NC)=O	0.73	12.1	0.92	1.0	0.83	Trnovec T; Soltes L; Durisova M; Kallay Z; Koprda V; Piotrovskii L B  Pharmacokinetics of ethimizol in man. Die Pharmazie (1985), 40(6), 410-1	N=5, dose 1 mg infusion, average weight reported 69.2 kg. ppb linear across two orders of magnitude concentration ~ 10-7 to 10-9 M)		1961	210.23	6	2	76.0	3	neutral	-0.55	-0.55
-Lenapenem	149951-16-6	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H](CCNC)O)C(=O)O)[C@@H](C)O	0.22	2.02		2.04	1.48	Mitsuyoshi Nakashlma, Toshihiko Uematsu, Kazuhiro Kosuge, Susumu Nakagawa, Shunsuke Hata and Minoni Sanada. Pharmacokinetics and safety of BO-2727, a new injectable 1-P-methyI carbapenem antibiotic, and its effect on the faecal microflora in healthy male volunteers. Journal of Antimicrobial Chemotherapy (1994) 33, 987-998.	N=18, averaged across 3 doses at 250, 500 and 1000 mg (N=6 each). 66 kg average weight reported. 73% urinary recovery.	reported as BO-2727 (HCl salt, CAS #  149882-71-3)	1993	399.5	8	5	122.1	8	zwitterionic	-1.2	-3.6
-Glycyrrhizin	1405-86-3	C1([C@H]2[C@@]([C@@]3(C([C@H]4[C@@](CC[C@@](C4)(C(O)=O)C)(C)CC3)=C1)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(O)=O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)C)C)=O	0.06	0.13		7.83	8.83	Tekla G.J. van Rossum, MD, Arnold G. Vulto, PhD, Wim C. J. Hop, MSc, PhD, Solko W. Schalm, MD, PhD Pharmacokinetics of Intravenous Glycyrrhizin After Single and Multiple Doses in Patients with Chronic Hepatitis C Infection. CLlNICALTHERAPEUTICS, 1999,21, 2080-2090	Weighted average over 4 doses (80, 160, 200, 240) from table II (Day1). N=33 overall. 		1880	822.93	16	8	267.0	7	anionic	1.5	-7.5
-Sufentanil	56030-54-7	CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2	9.4	15.0	0.0749999999999999	10.0	14.0	Hudson RJ, Bergstrom RG, Thomson IR, Sabourin MA, Rosenbloom M, and Strunin L (1989) Pharmacokinetics of sufentanil in patients undergoing abdominal aortic surgery.  Anesthesiol. 70: 426-431.  Scholz J, Bause H, Schulz M, Klotz U, Krishna DR, Pohl S, Schulte am Esch J (1994) Pharmacokinetics and effects on intracranial pressure of sulfentanil in head trauma patients.  Br. J. Clin. Pharmacol. 38: 369-372.  Meuldermans WEG, Hurkmans RMA, and Heykants JJP (1982) Plasma protein binding and distribution of fentanyl, sufentanil, alfentanil and lofentanil in blood.  Arch. Int. Pharmacodyn. Ther. 257: 4-19.			1976	386.55	4	0	32.8	8	cationic	3.9	2.9
-Crizotinib	877399-52-5	C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	22.15	9.75	0.09	37.9	38.9	Huiping Xu, P, Melissa O’Gorman, Tanya Boutros, Nicoletta Brega,  Constantino Kantaridis,  Weiwei Tan, Akintunde Bello. Evaluation of Crizotinib Absolute Bioavailability, the Bioequivalence ofThree Oral Formulations, and the Effect of Food on Crizotinib Pharmacokinetics in Healthy Subjects. J. Clin. Pharmacol., 2104, 55, 104–113.//ppb: https://www.accessdata.fda.gov/drugsatfda_docs/label/2013/202570s009lbl.pdf. Accessed, July 12 2017.	N=14, 50 mg iv dose, 80 kg average weight reported. MRT from VDss and clearance.		2006	450.34	6	2	78.0	5	cationic	4.3	2.3
-Caderofloxacin	153808-85-6	n1(cc(c(c2cc(c(c(c12)OC(F)F)N1C[C@@H](NCC1)C)F)=O)C(=O)O)C1CC1	1.1	2.7		7.1	5.9	Pharmacokinetics of caderofloxacin hydrochloride after intravenous infusion in healthy volunteers. WANG Yuan-yuan，ZHANG Jing，ZHANG Deng-shan，ZOU Ying，LIU Guang-yu. Chinese Journal of New Drugs 2011, 20( 23) 2377-2380.	Caderofloxacin, CS-940. Data digitized from plot of mean data after an infusion (1 hr) of 0.4 g of compound to 10 male and female healthy volunteers. Data reported in Table 1 are average of separate PK calculations in Table 2.  Reported AUCinf as 45.1 ug.mL.h-1.  		1990	411.38	7	2	83.8	5	zwitterionic	2.5	-0.28
-Dimetindene	5636-83-9	C=1(c2c(cccc2)CC1CCN(C)C)[C@@H](c1ccccn1)C	2.16	4.83		5.98	4.6	Arnera, V.; Wermeille, M.; Wellman, M.; Llull, J. B.; Althaus, M. A.; Balant, L. P. Pharmacokinetics of dimetindene after intravenous and oral administration to healthy volunteers. Arzneimittel-Forschung, 1990, 40, 1346-1348.	Data digitized from plot. AUCinf calculated within 2% of reported AUCinf. N=8, 4 mg dose, 75 kg median weight taken from reported range.		1960	292.42	2	0	16.1	5	cationic	4.0	2.5
-Roflumilast	162401-32-3	C(=O)(c1ccc(c(c1)OCC1CC1)OC(F)F)Nc1c(cncc1Cl)Cl	1.92	2.2	0.01	14.5	15.1	High absolute bioavailability of the new oral phosphodiesterase-4 inhibitor roflumilast T.D. Bethke and G. Lahu. Int. J.of Clin. Pharmacol. and Therapeutics, 2011,  49, 51-57.	 Calculated from digitized plot. Median weight 75kg. Reported AUC(-inf)= 14.1 ug*h/L.Calculated AUC 15.1 ng*h/mL. 150 ug dose, N=12.		1995	403.21	5	1	60.4	7	neutral	3.5	3.5
-Propafenone	54063-53-5	CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2	2.2	16.0	0.0379999999999999	2.2	2.1	Arboix M, Puigdemont A, Moya A, and Cinca J (1985) Pharmacokinetics of intravenous propafenone in patients with episodes of paroxysmal supraventricular tachycardia.  Meth. Find. Exptl. Clin. Pharmacol. 7: 436-438.  Hollmann M, Brode E, Hotz D, Kaumeier S, and Kerhahn OH (1983) Investigations on the pharmacokinetics of propafenone in man.  Arzn. Forsch. 33: 763-770.  Chan GLY, Axelson JE, Price JDE, McErlane KM, and Kerr CR (1989) In vitro protein binding of propafenone in normal and uremic human sera.  Eur. J. Clin. Pharmacol. 36: 495-499.  Tonn GR, Kerr CR, and Axelson JE (1992) In vitro protein binding of propafenone and 5-hydroxypropafenone in serum, in solutions of isolated serum proteins, and to red blood cells. J. Pharm. Sci. 81: 1098-1103.	VDss calculated from analysis of the C vs t data provided in the reference by Arboix, et al and Hollmann et al..		1961	341.44	4	2	58.6	11	cationic	3.3	1.5
-Lidocaine	137-58-6	CCN(CC)CC(=O)Nc1c(C)cccc1C	1.8	16.0	0.33	1.9	1.6	Bauer LA, Brown T, Gilbaldi M, Hudson L, Nelson S, Raisys V, and Shea JP (1982) Influence of long-term infusions on lidocaine kinetics.  Clin. Pharmacol. Ther. 31: 433-437.  Bennett PN, Aarons LJ, Bending MR, Steiner JA, and Rowland M (1982) Pharmacokinetics of lidocaine and its deethylated metabolite: dose and time dependecy studies in man.  J. Pharmacokinet. Biopharm. 10: 265-281.  Grossman SH, Davis D, Kitchell BB, Shand DG, and Routledge PA (1982) Diazepam and lidocaine plasma protein binding in renal disease.  Clin. Pharmacol. Ther. 31: 350-357.  Barry M, Keeling PW, Weir D, and Feely J (1990) Severity of cirrhosis and the relationship of alpha 1-acid glycoprotein concentration to plasma protein binding of lidocaine.  Clin. Pharmacol. Ther.  47: 366-370.	Lignocaine. Maricaine.		1946	234.34	3	1	32.3	5	cationic	2.7	2.0
-Alpiropride	81982-32-3	C1C[N@@]([C@@H](C1)CNC(c1c(cc(c(c1)S(NC)(=O)=O)N)OC)=O)CC=C	2.3	5.47		7.0	4.8	 F. BRESSOLLE, J. BRES and M. SNOUSSI. High-performance liquid chromatographic determination of a new benzamide in biological fluids for use in a human pharmacokinetic study. Journal of Chromatography, Biomedical Applications  1985 343, 443-448	Reported as Riv 2093. N=12, 50 mg dose. 67 kg weight calculated from VDss (L/kg), clearance (L/h) and MRT.		1982	382.48	8	3	113.8	8	cationic	0.97	-0.1
-Dinaciclib	779353-01-4	c1(cc(nc2n1ncc2CC)N1[C@@H](CCCC1)CCO)NCc1cn(=O)ccc1	0.32	4.65		1.1	2.1	John J Nemunaitis, Karen A Small, Paul Kirschmeier, Da Zhang, Yali Zhu, Ying-Ming Jou, Paul Statkevich, Siu-Long Yao and Rajat Bannerji. A first-in-human, phase 1, dose-escalation study of dinaciclib, a novel cyclin-dependent kinase inhibitor, administered weekly in subjects with advanced malignancies. Journal of Translational Medicine 2013, 11:259 (page1-14)	Data digitized from plot reported and compared to AUC in supplementary information. Day 1, 12 mg/m2, N=11. AUC(inf) 92% of reported. 70 kg weight assumed.		2004	396.49	8	2	88.7	7	neutral	0.88	0.88
-Melphalan	148-82-3	N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O	0.48	7.0	0.14	1.1	1.0	Woodhouse KW, Hamilton P, Lennard A, and Rawlins MD (1983) The pharmacokinetics of melphalan in patients with multiple myeloma: an intravenous/oral study using a conventional dosing regimen.  Eur. J. Clin. Pharmacol. 24: 283-285.  Hersh MR, Ludden TM, Kuhn JG, and Knight WA (1983) Pharmacokinetics of high dose melphalan.  Invest. New Drugs. 1: 331-334.  Gera S, Musch E, Osterheld HKO, and Loos U (1989) Relevance of the hydrolysis and protein binding of melphalan to the treatment of multiple myeloma.  Canc. Chemother. Pharmacol. 23: 76-80.  Grieg NH, Sweeney DJ, and Rapoport SI (1987) Melphalan concentration dependent protein binding in healthy humans and rats.  Eur. J. Clin. Pharmacol. 32: 179-185.			1946	305.2	4	2	66.6	8	zwitterionic	2.0	0.36
-TAS-106	180300-43-0	[C@H]1(n2c(=O)nc(cc2)N)O[C@@H]([C@]([C@H]1O)(O)C#C)CO	1.1	1.6		11.7	10.9	A Phase I Study to Determine the Safety and Pharmacokinetics of Intravenous Administration of TAS-106 Once per Week for Three Consecutive Weeks Every 28 Days in Patients with Solid Tumors. BENJAMIN FRIDAY, YVONNE LASSERE, CHRISTINA A. MEYERS,.AKIRA MITA, JAMES L. ABBRUZZESE and MELANIE B. THOMAS. Anticancer Res. 2012, 32,1689-1695.	3'-c-Ethynylcytidine. Ecyd. Weighted average of 15 subjects. Doses of 0.33 to 2.64 mg/m2 across 15 subjects in total. Data reported corrected for weight. 		1996	267.24	8	4	130.8	3	neutral	-3.2	-3.2
-Carprofen	53716-49-7	CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	0.22	0.51	0.001	7.2	9.9	Crevoisier C. Pharmacokinetc properties of carprofen in humans.  Eur J Rheumatol Inflamm. 1982, 5: 492-502	RO 20-5720. Rimadyl. MRT from VDss and clearance.		1974	273.71	3	2	53.1	2	anionic	4.0	0.95
-Otamixaban	193153-04-7	[H]/N=C(/c1cccc(c1)C[C@H]([C@@H](C)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-])C(=O)OC)\N	0.89	7.38		2.02	3.0	Anne Paccaly, PharmD, Annke Frick, PhD, Shashank Rohatagi, PhD, Jingli Liu, PhD, Umesh Shukla, PhD, Ronald Rosenburg, MD, Markus Hinder, MD, and Bradford K. Jensen, PhD. Pharmacokinetics of Otamixaban, a Direct FactorXa Inhibitor, in Healthy Male Subjects: Pharmacokinetic Model Development for Phase 2/3 Simulation of Exposure. J Clin Pharmacol 2006;46:37-44.	From reference. Vdss values ranged from 35 (16) to 90 (25) L in the 6-hour infusion study and from 136 (81) to 202 (43) L in the 24-hour infusion study. Vdss values tended to decrease as the infusion rate increased. Median value of 62.5 L The mean (CV%) total plasma Cl ranged from 20 (21) to 42 (17) L/h in the 6-hour infusion study and from 29 (32) to 36 (25) L/h in the 24-hour infusion study and tended to decrease as the infusion rate increased. Median taken as 31 L/h. All data taken from 6-hour infusion across 0.04 to 1.1 mg/kg. Linear PK. 70 kg body weight assumed. N=6 for each dose. MRT from VDss and clearance. t1/2 highly dependent on sampling times post end of infusion. Tken as 3 hours from 6 hr infusion to 12 hrs total sampling.		1997	446.5	8	3	132.2	9	cationic	0.89	-0.91
-RGB-286638	784210-88-4	N(C(=O)NN1CCOCC1)c1c2C(=O)c3c([nH]nc3c3ccc(cc3)CN3CCN(CC3)CCOC)c2ccc1	5.9	11.5		8.5	9.9	Diane A.J. van der Biessen, Herman Burger, Peter de Bruijn, Cor H.J. Lamers, Nicole Naus, Hannes Loferer, Erik A.C. Wiemer, Ron H.J. Mathijssen, Maja J.A. de Jonge.  Phase I study of RGB-286638, a novel, multi-targeted cyclin-dependent kinase inhibitor in patients with solid tumors. Clin Cancer Res 2014 20(18); 4776–83	Data  digitized from plot for 1 representative subject at 80mg dose.  Linear PK from 20 mg/d to 160 mg/d on day 1. Well within range in Table 4 and accepted. 70 kg average weight assumed.  SMILES and CAS number corresponding to free base. Dihydrochloride salt CAS # 784210-87-3. Reported data at 80 mg/d clearance 12.3 mL/min/kg,  and t1/2 9.1 hr. 		2004	545.63	11	3	115.1	8	cationic	0.95	0.41
-Scutellarin	27740-01-8	c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	0.88	46.58	0.1	0.31	1.18	Wen-Zheng Ju,Yang Zhao,Fang Liu,Ting Wua,Jun Zhang,Shi-Jia Liu,Lin gZhou,Guo-Liang Dai,Ning-Ning Xiong,Zhu-Yuan Fang. Clinical tolerability and pharmacokinetics of Erigerontis hydroxybenzene injection: Results of a randomized phase I study in healthy Chinese volunteers. Phytomed. 2015, 22, 319–325.//ppb: Huang, Yong; Chen, Hui; Zheng, Lin; He, Feng; Zhang, Zhirong; Wang, Yonglin . Determination of plasma protein binding rates of protocatechuic acid, isoorientin and scutellarin in Compound Hongcao freeze-​dried powder for injection by ultrafiltration combined with UPLC-​ESI-​MS​/MS. Zhongguo Yaoxue Zazhi (Beijing, China). 2011, 46, 1200-1204.	Data digitized from plot reported.  All from average males/females. 6 vials EH product tested for content via HPLC. 37.2 mg total dose, N=6, 57 kg average weight. 1 hr infusion. All AUCinf data within 10% of reported.		1889	462.36	12	7	207.6	4	anionic	0.29	-4.5
-Lormetazepam	848-75-9	CN1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13	1.6	4.0	0.12	6.7	4.9	Humpel M, Illi V, Milius W, Wendt H, and Kurowski M (1979) The pharmacokinetics and biotransformation of the new benzodiazepine lormetazepam in humans. Eur. J. Drug Metab. Pharmacokinet. 4: 237-243.	Pharmacokinetic parameters were calculated from C vs t obtained by digitization of the plot included in the reference.		1963	335.18	4	1	52.9	1	neutral	2.8	2.8
-Heroin	561-27-3	CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CC[N@@]([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C	1.31	212.3		0.1	0.062	Elisabeth J. Rook, Jan M. van Ree, Wim van den Brink, Michel J. X. Hillebrand, Alwin D. R. Huitema, Vincent M. Hendriks, Jos H. Beijnen. Pharmacokinetics and Pharmacodynamics of High Doses of Pharmaceutically Prepared Heroin, by Intravenous or by Inhalation Route in Opioid-Dependent Patients. Basic & Clinical Pharmacology & Toxicology 2006, 98, 86–96.	"N=11, 73 kg average weight reported. No actual dose reported. 930 L/h average clearance at ""steady-state"" after iv doses to ""chasers"" and VD as 96 L but without specification of type of volume. VD taken as Vbeta = VDss as seemingly showing  1 compartment behavior. T1/2 of terminal phase: 3.7 minutes. MRT = t1/2/0.693."		1906	369.41	6	0	65.1	4	cationic	1.9	1.1
-Y 20811	107433-19-2	Cc1ccc(cc1C(c2c(cc(cc2C)C(=O)O)C)O)n3ccnc3	0.37	2.91		2.17	2.37	Mitsutaka Kanamaru,  Mitsuyoshi Nakashima. Phase I Study of Y-20811, a New Long- Acting Thromboxane Synthetase Inhibitor by Intravenous Administration. J ClIn Pharmacol 1989;29: 563-567 	N=6 for each dose. 5, 10 and 25 mg doses. Data averaged across doses. 62.7 kg average weight. MRT from VDss and clearance.	SMILES and CAS # referring to free acid but dosed as sodium salt.	1986	336.38	5	2	75.3	4	anionic	3.6	1.2
-Nemonoxacin	378746-64-6	C(C(=C(N1C2CC2)C(=C2N(C[C@](C[C@]3([H])C)(N)[H])C3)OC)C=C2)(C(=C1)C(O)=O)=O	1.9	3.8	0.84	8.4	13.5	Cao Guo-Ying; Zhang Jing; Zhang Ying-Yuan; Guo Bei-Ning; Yu Ji-Cheng; Wu Xiao-Jie; Chen Yuan-Cheng; Shi Yao-Guo; Wu Ju-Fang . Safety, Tolerability, and Pharmacokinetics of Intravenous Nemonoxacin in Healthy Chinese Volunteers. Antimicrobial agents and chemotherapy. 2014 ; 58, 6116-6121; . ppb: Luke Lin, Li-Wen Chang, Cheng-Yuan Tsai, Ching-Hung Hsu, David T. Chung, William S. Aronstein, Funmi Ajayi, Barbara Kuzmak, and Robert A. LyonDose Escalation Study of the Safety, Tolerability, and Pharmacokinetics of Nemonoxacin (TG-873870), aNovel Potent Broad-Spectrum Nonfluorinated Quinolone, in Healthy Volunteers. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY,  2010, 54, 405–410	TG-873870. Average of N=35 across 250, 500 and 750 mg dose. Data from table 4. Infusion 45', 90 and 135', respectively. 59 kg average body weight reported.		2001	371.43	7	2	96.1	4	zwitterionic	2.5	0.077
-Apixaban	503612-47-3	N1(CCc2c(C1=O)n(nc2C(=O)N)c1ccc(cc1)OC)c1ccc(cc1)N1CCCCC1=O	0.3	0.8	0.13		12.0	FDA aproval data. Accessed through PharmaPendium on June 23 2014.https://www.pharmapendium.com/fda.do?document=a9a1a313612e0fc9f6473123da9f3f58&drugName=Apixaban&reference=32clearance  3.43 L/h and t1/2 12 h. 70 kg assumed. VDss 21 L.	Assumed 70 kg as average weight. 		2003	459.5	9	1	110.8	5	neutral	2.5	2.5
-Forodesine	209799-67-7	[nH]1cnc2c([nH]cc2[C@@H]2N[C@@H]([C@H]([C@H]2O)O)CO)c1=O		1.56			11.6	A proof-of-principle pharmacokinetic, pharmacodynamic, and clinical study with purine nucleoside phosphorylase inhibitor immucillin-H (BCX-1777, forodesine)Varsha Gandhi, John M. Kilpatrick, William Plunkett, Mary Ayres, Leigh Harman, Min Du, Shanta Bantia, Jan Davisson, William G. Wierda, Stefan Faderl, Hagop Kantarjian, and Deborah Thomas. BLOOD, 2005   VOLUME 106, (13)4253-4260.	Only Vz reported. Infusion across 5 patients. One patient received 4 doses. N = 8 total. 		1998	266.25	8	6	134.3	2	cationic	-3.9	-4.3
-Penciclovir	39809-25-1	NC1=NC(=O)c2ncn(CCC(CO)CO)c2N1	1.1	8.4	0.84	2.4	2.1	Fowles SF, Pierce DM, Prince WT, and Staniforth D (1992) The tolerance to and pharmacokinetics of penciclovir (BRL 39123A), a novel antiherpes agent, administered by intravenous infusion to healthy subjects.  Eur. J. Clin. Pharmacol. 43: 513-516.  Filer CW, Allen GD, Brown TA, Fowles SE, Hollis FJ, Mort EE, Prince WT, and Ramji JV (1994) Metabolic and pharmacokinetic studies following oral administration of 14C-famciclovir to healthy subjects.  Xenobiotica 24: 357-368.	Parameters calculated from digitized plots and averaged over all dose levels.		1972	253.26	8	4	125.8	5	neutral	-1.6	-1.6
-Metopimazine	14008-44-7	CS(=O)(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCC(CC4)C(=O)N		12.14			4.0	GAILLOT J , LE ROUX Y, COURNOT A. , DUCHIER J. , FRYDMAN A. PHARMACOKINETICS OF HETOPIMAZINE AFTER SINGLE AND REPEATED ORALADMINISTRATION IN YOUNG HEALTHY SUBJECTS.	Vogalene. 10 mg iv dose. N=12, 70 kg average weight assumed. VD (beta) reported as 300 L.		1960	445.6	6	1	83.7	6	cationic	2.5	0.91
-Alfuzosin	81403-80-7	COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3	1.5	5.9	0.14	4.2	4.8	Guinebault P, Colafranceschi C, Bianchetti G, Thenot JP, Maillard D, Thiercelin JF, Larribaud J, and Morselli PL (1984) Absolute bioavailability of alfuzosin, a new α1-​post synaptic receptor antagonist, after oral and intravenous administration.  Biopharm. Pharmacokinet. 2nd European Congress 2: 578-583. ppb: The PDR states: Results of in vitro studies indicate that alfuzosin is moderately bound to human plasma proteins (82% to 90%), with linear binding over a wide concentration range (5 to 5,000 ng/mL). Median value taken. Accessed January 7 2015. http://www.pdr3d.com/detail.php?c=76486#section-13.	VDss calculated from C vs t data obtained by digitization of the plots included in the reference.		1982	389.45	9	2	111.8	8	cationic	2.3	1.8
-Thioguanine	154-42-7	n1c2c(nc[nH]2)c([nH]c1N)=S	2.89	15.4		3.13	24.35	 Kitchen, Brenda J.; Balis, Frank M.; Poplack, David G.; O'brien, Michelle; Craig, Catherine E.; Adamson, Peter C.  A pediatric phase I trial and pharmacokinetic study of thioguanine administered by continuous i.v. infusion. Clinical Cancer Research, 1997, 3, 713-717.	2-amino-6-mercaptopurine. 6-mercaptoguanine. Data digitized from plot 20 mg/m2/h, 24 hr infusion. N=13. 70 kg average weight assumed. 1.73 m2/70 kg conversion factor used. Reported clearance 608 mL/min/m2 corresponding to 15.02 mL/min/kg.		1948	167.19	5	3	83.4	0	anionic	-1.2	-4.7
-Chlorambucil	305-03-3	OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl	0.26	2.8	0.01	1.5	1.1	Newell DR, Calvert AH, Harrap KR, and McElwain TJ (1983) Studies on the pharmacokinetics of chlorambucil and prednimustine in man.  Br. J. Clin. Pharmacol. 15: 253-258.   Leukeran Product Label.	VDss calculated from C vs t data obtained by digitization of plots provided in the reference for two subjects administered a 10 mg dose.		1953	304.21	3	1	40.5	9	anionic	3.8	1.2
-Pitavastatin	147511-69-1	c12ccccc1c(c(c(n2)C1CC1)\C=C\[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F	0.9	5.85	0.005	2.7	4.6	Pitavastatin Calcium - FDA Approval Package Clinical Pharmacology and Biopharmaceutics Review 022363/S-000 Part 01. Accessed via Pharmapendium.	Followed as acid. VDss from MRT and clearance. Vd reported as 148.1 L. N=18, 2 mg dose, 70 kg weight assumed.		1997	421.46	5	3	90.6	8	anionic	3.9	0.54
-SarCNU	81965-43-7	CN(CC(=O)N)C(=O)N(CCCl)N=O	0.76	9.0		1.4	1.0	Panasci L, Stinson SF, Melnychuk D, Sandor V, Miller WH, Batist G, Patenaudr F, Bangash N, Panarello L, Alaoui-Jamali M, and Sausville E (2003) SarCNU, a nitosourea analog on a day 1, 5, and 9 oral schedule: a phase I and pharmacokinetic study in patients with advanced solid tumors.  J. Clin. Oncol. 21: 232-240.	VDss was calculated using C vs t data obtained by digitization of the plot provided in the reference.		1982	222.63	7	1	96.1	5	neutral	-0.4	-0.4
-Laniquidar	197509-46-9	COC(c1cnc2C(=C3CCN(CC3)CCc3ccc(cc3)OCc3ccc4ccccc4n3)c3ccccc3CCn12)=O	6.03	14.14	0.001	7.1	10.6	De Buck, Stefan S.; Sinha, Vikash K.; Fenu, Luca A.; Nijsen, Marjoleen J.; Mackie, Claire E.; Gilissen, Ron A. H. J. Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs. Drug Metabolism and Disposition, 2007, 35(10), 1766-1780. 	70 kg average weight assumed.  MRT calculated from CL and VDss. 50 mg iv dose		1997	584.71	7	0	69.5	8	cationic	7.4	6.8
-Iomeprol	78649-41-9	[H]N(C[C@@H](CO[H])O[H])C(c1c(c(C(N([H])C[C@@H](CO[H])O[H])=O)c(c(c1I)N(C)C(CO[H])=O)I)I)=O	0.23	1.4	1.0	2.7	2.3	Lorusso et al. Pharmacokinetics and safety of iomeprol in healthy volunteers and in patients with renal imperiment or end-stage renal disease requiring hemodyalisis. Invest. Radiol. 2001, 36, 309-316. ppb: Rosati G. Clinical pharmacology of iomeprol. European journal of  1994, 18 Suppl 1 S51-60	Only data in healthy volunteers taken. N=6. 50 ml of 400 mg I/mL solution of iomeprol.		1981	777.09	11	7	179.7	15	neutral	-2.1	-2.1
-Voriconazole	137234-62-9	C[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F	2.2	8.3	0.42	4.4	5.6	Purkins L, Wood N, Greenhalgh K, Eve MD, Oliver SD, and Nichols D (2003) The pharmacokinetics and safety of intravenous voriconazole - a novel wide-spectrum antifungal agent.  Br. J. Clin. Pharmacol. 56(Suppl. 1):  2-9.   Roffey SJ, Cole S, Comby P, Gibson D, Jezequel SG, Nedderman ANR, Smith DA, Walker DK, and Wood N (2003) The disposition of voriconazole in mouse, rat, rabbit, guinea pig, dog, and human.  Drug Metab. Dispos. 31: 731-741.			1991	349.31	6	1	76.7	5	neutral	1.5	1.5
-Docetaxel	114977-28-5	CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C	2.1	14.0	0.04	2.5	11.0	Rosing H, Lustig V, van Warmerdam LJC, Huizing MT, ten Bokkel Huinink WW, Schellens JHM, Rodenhuis S, Bult A, and Beijnen JH (2000) Pharmacokinetics and metabolism of docetaxel administered as a 1-h intravenous infusion.    Cancer Chemother. Pharmacol. 45: 213-218.  Minami H, Kawada K, Sasaki Y, Igarashi T, Saeki T, Tahara M, Itoh K, and Fujii H (2006) Pharmacokinetics and pharmacodynamics of protein-unbound docetaxel in cancer patients.  Cancer Sci.  97: 235-241.			1988	807.88	15	5	224.4	12	neutral	3.0	3.0
-Penclomedine	108030-77-9	c1(c(c(c(Cl)c(n1)OC)OC)Cl)C(Cl)(Cl)Cl	9.1	29.9		5.1	3.8	Phase I and Pharmacologic Study of Penclomedine,a Novel Alkylating Agent, in Patients With Solid Tumors Seamus O'Reilly, Louise B. Grochow, Ross C. Donehower, Tian-Ling Chen, Katherine Bowling, Neil R. Hartman,Robert F. Struck, and Eric K. Rowinsky. Journal of Clinical Oncology, 1997, Vol 15 1974-1984.	70 kg assumed. Average from Table 6. Data from day 1 taken. Day 5 very similar. N=6, 5 mg/kg 5 minutes infusion. 75.3 kg average weight. 45  to 550 mg/m2/day doses. 		1987	325.4	3	0	31.3	2	neutral	4.4	4.4
-Butylbiguanide	692-13-7	CCCCNC(=N)NC(=N)N	1.84	6.58	0.9	4.66	4.62	Lintz, W.; Berger, W.; Aenishaenslin, W.; Kutova, V.; Baerlocher, Ch.; Kapp, J. P.; Beckmann, R. Butylbiguanide concentration in plasma, liver, and intestine after intravenous and oral administration to man. Eur. J. Clin. Pharmacol. (1974), 7(6), 433-48.	N=4, diabetic patients, 77 kg average weight reported, 50 mg dose i.v. VDss from V1 and k12, k21. MRT from VDss and clearance. Renal clearance 73%. Total radioactivity but noted that there is no metabolism by the authors so that the equivalence radiioactivity=compound is valid. 		1959	157.22	5	5	97.8	6	cationic	-0.61	-4.1
-Tiopronin	1953-02-2	C[C@@H](C(NCC(O)=O)=O)S	1.39	1.48	0.45	15.7	55.0	M. S. Carlsson , T. Denneberg  , B.-M. Emanuelsson , B. Kagedal , and S. Lindgren. Pharmacokinetics of intravenous 2-mercaptopropionylglycine in man. Eur J Clin Pharmacol (1990) 38:499-503. fu from clearance total and unbound reported. M. S. Carlsson , T. Denneberg  , B.-M. Emanuelsson , B. Kagedal , and S. Lindgren. Pharmacokinetics of oral tiopronin Eur J Clin Pharmacol (1993) 45:79-84. Data initially and erroneously entered from this work being a follow-up p.o. of 1990 work. Corrected on January 6 2015.	2-MPG. N=10, 71 kg average weight. 250 mg iv dose.	Almost exclusively excreted unchanged renally. As reported by Carlsson et al.	1963	163.19	4	2	66.4	3	anionic	-0.23	-3.6
-Demethylchlortetracycline	127-33-3	CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N	1.3	1.1	0.59	17.0	12.0	Kunin, CM, Darnbush AC, and Finland M. Distribution and excretion of four tetracycline analogs in normal young men.  J. Clin. Invest. 1959, 38, 1950-63.	Calculated from digitized plots 		1957	464.85	10	6	181.6	2	anionic	-0.19	-2.9
-Colchicine	64-86-8	COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C	6.1	2.1	0.61	49.0	58.0	Ferron GM, Rochdi M, Jusko WJ, and Scherrmann JM (1996) Oral absorption characteristics and pharmacokinetics of colchicine in healthy volunteers after single and multiple doses. J. Clin. Pharmacol. 36: 874-883.  Sabouraud A, Chappey O, Dupin T, and Scherrmann JM (1994)  Binding of colchicine and thiocolchicoside to human serum proteins and blood cells.  Int. J. Clin. Pharmacol. Ther. 32: 429-432.			1971	399.44	7	1	83.1	5	neutral	1.1	1.1
-Delafloxacin	189279-58-1	c1c2c(c(c(c1F)N3CC(C3)O)Cl)n(cc(c2=O)C(=O)O)c4c(cc(c(n4)N)F)F	0.35	2.33	0.16	2.5	2.1	Randall Hoover; Thomas Hunt; Michael Benedict; Susan K. Paulson; Laura Lawrence; Sue Cammarata and Eugene Sun. Safety, Tolerability,and Pharmacokinetic Properties ofIntravenous Delafloxacin After Single and Multiple Dosesin Healthy Volunteers. Clin. Ther. 2016, 38, 53-65. // ppb: https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208610s000,208611s000lbl.pdf.	Data digitized from plot reported at 750 mg dose, 1-hr iv infusion,  N=8, 73.8 kg as average weight reported across entire cohort. T1/2 taken as very long in report but concentration at < 2% of Cmax after 12 hours. Extrapolation using 3-12 hr interval (5 points). AUCinf reported 74.4 ug.hr.mL-1 and calculated as 72.2 ug.hr.mL-1 (3% deviation). Clearance not linear across entire range and a mid point (750 mg) was chosen from range of 300 to 1200 mg.  35% excreted unchanged renally.		1997	440.76	8	3	121.7	3	anionic	2.5	-0.0083
-Esmolol	81147-92-4	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1	1.2	290.0	0.59	0.07	0.15	Sum CY, Yacobi A, Kartzinel R, Stampfli H, Davis CS, and Lai CM (1983) Kinetics of esmolol, an ultra-short-acting beta blocker, and of its major metabolite. Clin. Pharmacol. Ther. 34: 427-434.  Okamura M, Kumagai M, Murasaki Y, Ohkura T, Miyamoto Y, Kawai Y, Tamura T, Takariki Y, and Tomisawa H (2001) Stereoselective pharmacokinetics of esmolol enantiomers.  Yakubutsu Dotai 16: 427-435.			1981	295.37	5	2	67.8	10	cationic	2.0	0.18
-16-acetyl gitoxin	7242-07-1	C1([C@@H]2[C@@]3([C@@]([C@@H]4[C@@H]([C@@]5(CC[C@@H](O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O)C[C@@H]5CC4)C)CC3)(C[C@@H]2OC(=O)C)O)C)=CC(=O)OC1	0.78	0.18	0.07	72.3	51.6	Hausten, K.-O. On the Pharmacokinetics of 16-Acetyl-gitoxin and Its Bioavailability from Pengitoxin-Containing Tablet Formulations. Int. J. Pharmacokin. Biopharm. 1986, 14, 357-364. 	16-O-acetylgitoxin. N=6, 65.3 kg average weight. 0.5 mg administered iv in 1 minute. MRT calculate from AUC and AUMC in turn calculated from C1, C2 and lamba 1 and 2. VDss then calculated from MRT and clearance reported. Fu reported by the author from own previous work. G. Hiiller, K.-O. Haustein, and D. Murawski. On the plasma-protein binding of 16-acetylgitoxin.Int. J. Clin. Pharmacol. 19:200-202 (1981).		1960	822.98	15	5	209.1	9	neutral	0.93	0.93
-Clomipramine	303-49-1	CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13	13.0	8.2	0.029	26.0	26.0	Ollagnier M, Pellet J, Gay JP, Lang F, Ouvry MC, and Blanchon Y (1984) Pharmacocinetique d'une dose unique de clomipramine, en intraveneuse, chez le voluntaire sain.  Therapie  39: 237-245.  Nyberg G and Maartensson E (1984)  Determination of free fractions of tricyclic antidepressants.  Naunyn-Sch. Arch. Pharmacol. 327: 260-265.	Pharmacokinetic parameters were calculated from C vs t provided in the reference. 		1961	314.85	2	0	6.5	4	cationic	5.1	3.4
-Tebufelone	112018-00-5	[H]C#CCCCC(c1cc(c(c(c1)C(C)(C)C)O[H])C(C)(C)C)=O	12.0	8.9		22.3	50.7	Cruze CA, Kelm GR, Meredith MP (1995) Interspecies scaling of tebufelone pharmacokinetic data and application to preclinical toxicology. Pharm. Res. 12, 895-901.	Data digitized from Dedrick-like plot reported. AUC reported 579 ng.h.mL-1; clearance reported 9.87 mL.min-1.kg-1.  These data refer to the corrected t and C data for human. 25 mg dose and 72.9 average weight.		1987	300.44	2	1	37.3	6	neutral	5.4	5.4
-Trospium	47608-32-2	c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@@H]3C[C@@H]4CCC(C3)[N+]45CCCC5)O	5.1	13.9	0.33	6.1	5.0	Trospium Chloride - FDA Approval Package. Clinical Pharmacology and Biopharmaceutics Review 021595/S-000 Part 03. Accessed via Pharmapendium. Ppb: the PDR states: Protein binding ranged from 50 to 85% when concentration levels of trospium chloride (0.5 to 50 ng/mL) were incubated with human serum in vitro.  Accessed January 6 2015. http://pdr3d.com/detail.php?c=104533#section-13. Median value of 67% taken.	Structure and smiles refer to cation. 70 kg assumed. MRT reported. Ppb reported as range between 50 and 85%.	72% of dose elininated in urine, of which 80% is unchanged. ~ 60% total unchanged. Trospium Chloride - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 021595/S-000 Part 03. Accessed via Pharmapendium.	1997	392.51	4	1	46.5	5	neutral	0.83	0.83
-Methotrexate	59-05-2	CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	0.43	2.1	0.37	3.4	3.9	Bore P, Bruno R, Lena N, Favre R, and Cano JP (1987) Methotrexate and 7-hydroxymethotrexate pharmacokinetics following intravenous bolus administration and high-dose infusion of methotrexate.  Eur. J. Canc. Clin. Oncol. 23: 1385-1390.  Herman RA, Veng-Pedersen P, Hoffman J, Koehnke R, and Furst DE (1989) Pharmacokinetics of low-dose methotrexate in rheumatoid arthritis patients.  J. Pharm. Sci. 78: 165-171.  Esposito M, Rosso R, and Santi L (1974) Plasma protein binding of antineoplastic drugs in rats and humans.  IRCS Library Compendium 2: 1180.			1948	454.44	13	5	210.5	9	anionic	-0.25	-6.4
-Telcagepant	781649-09-0	O=c1n(c2c([nH]1)nccc2)C1CCN(CC1)C(=O)N[C@H]1C(=O)N(CC(F)(F)F)C[C@@H](CC1)c1c(F)c(F)ccc1	0.86	5.8		2.5	8.2	The Dose Proportionality of Telcagepant after Administration of Single Oral and Intravenous Doses in Healthy Adult Subjects. Tae H. Han, Rebecca L. Blanchard,  John Palcza,  Ashley Martucci, Cynthia M. Miller-Stein,  Maria Gutierrez, Deborah Panebianco, Ronda K. Rippley,  Christopher Lines,  and M. Gail Murphy. Arch Drug Info 2010,3:55–62	MK-0974. 70 kg average weight assumed. Weighted average across all 7 doses from 5 mg to  250 mg (N=10 for each one).  t1/2 calculated only from 4 doses from 50 to 250 MRT calculated from VD and CLMicrodose?		2004	566.52	9	2	103.3	4	neutral	3.5	-0.022
-Viqualine	72714-74-0	c12c(ccc(c2)OC)nccc1CCC[C@@H]1[C@@H](CNCC1)C=C	24.4	26.0		15.6	12.1	J. B. Fourtillan, S. Bouquet, J. Girault, M. A. Lefebvre, C. Maulet, Ph. Courtois. Pharmacokinetics and bioavailability of viqualine a new antidepressant. European Journal of Drug Metabolism and Pharmacokinetics. 1985, 10(1) , 3-10	Mean BW = 64.8 kg (N=5), 25 mg infusion dose. 		1979	310.43	3	1	34.1	6	cationic	4.3	2.0
-Casopitant	414910-27-3	c1(cc(cc(c1)[C@H](N(C(=O)N1CC[C@@H](C[C@@H]1c1c(cc(cc1)F)C)N1CCN(CC1)C(=O)C)C)C)C(F)(F)F)C(F)(F)F	2.77	3.07	1.0	15.04	15.6	Mario Pellegatti, Ellenia Bordini, Patrizia Fizzotti, Andy Roberts, and Brendan M. Johnson. Disposition and Metabolism of Radiolabeled Casopitant in Humans. Drug Metab. Disp. 2009, 37, 1635-1645.// ppb: Bauman, John W.; Antal, Joyce M.; Adams, Laurel M.; Johnson, Brendan M.; Murray, Sharon C.; Peng, Bin; Kirby, Lyndon C.; Lebowitz, Peter F.; Marbury, Thomas C.; Swan, Suzanne; Gutierrez, Maria. Effect of hepatic or renal impairment on the pharmacokinetics of casopitant, a NK-​1 receptor antagonist. Invest. New Drugs, 2012, 30, 662–671.	70 kg average weight assumed. N=6. 15 minutes infusion of a 90 mg dose. MRT from VDss and clearance.		2002	616.61	6	0	47.1	4	neutral	5.4	5.4
-Cyclophosphamide	50-18-0	ClCCN(CCCl)P1(=O)NCCCO1	0.73	1.1	0.87	11.0	8.0	Juma FD, Rogers HJ, and Trounce JR (1979) Pharmacokinetics of cyclophosphamide and alkylating activity in man after intravenous and oral administration. Br. J. Clin. Pharmacol. 8: 209-217.  Juma FD, Rogers HJ, and Trounce JR (1979) The kinetics of salivary elimination of cyclophosphamide in man.  Br. J. Clin. Pharmacol. 8: 455-458.	VDss calculated from microconstants reported in the reference.		1946	261.09	4	1	41.6	5	neutral	0.79	0.55
-Sulfamethoxazole	723-46-6	Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1	0.3	0.36	0.23	14.0	9.8	Dudley MN, Levitz RE, Quintiliani R, Hickingbotham JM, and Nightingale CH (1984) Pharmacokinetics of trimethoprim and sulfamethoxazole in serum and cerebrospinal fluid of adult patients with normal meninges.  Antimic. Agents Chemother. 26: 811-814.  Wijkstroem A and Westerlund D (1983) Plasma protein binding of sulfadiazine, sulfamethoxazole and trimethoprim determined by ultrafiltration. J. Pharm. Biomed. Anal. 1: 293-299.			1957	253.28	6	2	98.5	3	anionic	1.1	-0.56
-Cefprozil	92665-29-7	C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O	0.21	2.9	0.59	1.2	1.2	Shyu WC, Shah VR, Campbell DA, Wilber RB, Pittman KA, and Barbhaiya RH (1992) Oral absolute bioavailability and intravenous dose-proportionality of cefprozil in humans. J. Clin. Pharm. 32: 798-803.  Shyu WC, Shukla UA, Shah VR, Papp EA, and Barbhaiya RH (1991)  Simultaneous high-performance liquid chromatographic analysis of cefprozil diastereomers in a pharmacokinetic study.  Pharm. Res.  8: 992-996.	Racemate data		1984	389.43	8	4	133.0	5	zwitterionic	-0.39	-1.8
-Metrizoate	1949-45-7	CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I	0.17	2.7	1.0	1.0	1.3	Back SE, Krutzen E, and Nilsson-Ehle P (1988) Contrast media as markers for glomerular filtration: a pharmacokinetic comparison of four agents.  Scand. J. Clin. Lab Invest.  48: 247-253.	VDss calculated from C vs t data obtained by digitization of the plot provided in the reference. CAS number and structure refer to the free acid.		1962	627.94	6	2	86.7	3	anionic	1.4	-1.9
-Cimetropium	150521-16-7	C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)CC5CC5	1.12	25.0		0.74	0.83	B. P. IMBIMBO, S. DANIOTTI, A. VIDI, D. FOSCHI, F . SAPORITI,  L. FERRANTE. Discontinuous Oral Absorption of Cimetropium Bromide, a New Antispasmodic Drug. J. Pharm. Sci. 1986, 75, 680-684. 	N=8, 10 mg dose. Clearance reported in table III. MRT calculated from AUC and AUMC in turn calculated from A, B, α and β. VDss obtained from MRT and clearance. T1/2 reported.	46% excreted unchanged in urine.	1973	358.45	5	1	59.1	7	neutral	-2.8	-2.8
-Cannabinol	521-35-7	c12c3c(OC(c1ccc(c2)C)(C)C)cc(CCCCC)cc3O	16.98	17.85		15.86	25.51	Eva Johansson, Agneta Ohlsson, Jan-Erik Lindgren, Stig Agurell, Hampton Gillespie, Leo E. Hollister. Single-dose Kinetics of Deuterium-labelled Cannabinol in Man After Intravenous Administration and Smoking. BIOMEDICAL AND ENVIRONMENTAL MASS SPECTROMETRY, 1987, 14, 495-499	DEUTERATED COMPOUND. Calculation performed from data reported in Table. AUC inf reported within 3% of calculated. N=6, 20 mg dose, 72.2 kg average weight.		1896	310.43	2	1	29.5	4	neutral	6.7	6.7
-Flupirtine	56995-20-1	CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N	1.1	1.6	0.15	11.0	8.5	Hlavica VP and Niebch G (1985) Untersuchungen zur pharmakokinetik und biotransformation des analgetikums flupirtin beim menschen.  Arz. Forsch. 35: 67-74. 	VDss calculated from C vs t data obtained by digitization of the plots in the reference.		1979	304.32	6	3	89.3	6	cationic	3.1	2.7
-Pelrinone	94386-65-9	[H]N(Cc1cccnc1)C1=C(C#N)C(N=C(C)N1[H])=O	0.39	5.8	0.05	1.1	0.95	Scatina, J. A.; Hicks, D. R.; Kraml, M.; Cayen, M. N. Metabolic disposition and pharmacokinetics of pelrinone, a new cardiotonic drug, in laboratory animals and man Eur. J. Drug Metab. Pharmacokin. 1990, 15, 37-48.	 N=4, 67 Kg average weight, 0.149 mg/Kg iv dose		1985	241.25	6	2	90.2	4	neutral	-0.75	-0.8
-Didanosine	69655-05-6	OC[C@@H]1CC[C@@H](O1)n2cnc3C(=O)NC=Nc23	0.77	11.0	0.95	1.2	1.4	Knupp CA, Shyu WC, Dolin R, Valentine FT, McLaren C, Martin RR, Pittman KA, and Barbhaiya RH (1991) Pharmacokinetics of didanosine in patients with acquired immunodeficiency syndrome or acquired immunodeficiency syndrome-related complex.  Clin. Pharmacol. Ther. 49: 523-535.  Videx Product Label.	2',3'-Dideoxyinosine, NSC612049		1979	236.23	7	2	88.7	2	neutral	-0.93	-0.95
-Carzelesin	119813-10-4	c1(N(CC)CC)cc2oc(C(Nc3ccc4c(c3)cc([nH]4)C(N3C[C@H](c4c5c([nH]cc5C)c(OC(=O)Nc5ccccc5)cc34)CCl)=O)=O)cc2cc1	0.09	2.9		0.51	0.48	Data as average of two different single patient profiles (N=2):   (1) Van Tellingen, Olaf; Nooijen, Willem J.; Schaaf, Larry J.; Van Der Valk, Martin; Van Asperen, Judith; Henrar, Roland E. C.; Beijnen, Jos H. Comparative pharmacology of the novel cyclopropylpyrroloindole-​prodrug carzelesin in mice, rats, and humans. Cancer Research (1998), 58(11), 2410-2416.     (2) van Tellingen O, Punt CJ, Awada A, Wagener DJ, Piccart MJ, Groot Y, Schaaf LJ, Henrar RE, Nooijen WJ, Beijnen JH. A clinical pharmacokinetics study of carzelesin given by short-term intravenous infusion in a phase I study. Cancer Chemother Pharmacol. 1998;41(5):377–384.	 (1) data digitized from Fig. 4.  Dose 300 ug/m2 (0.0075 mg/kg), infusion T=10 min, N=1*. (2) data digitized from Fig. 5 (dose 210 ug/m2 (0.00525 mg/kg), infusion T=10 min, N=1**.* reported data: see Table 4 (data seems to be for 3 patients (N=3) presented in Table 1 in van Tellingen O. et al, Cancer Chemother Pharmacol, 1998, 41, 377-384). The actual digitized values (AUC, CL, ...) seem to agree with the values reported for the last patient in Table 1.** 48th patient in Table 1, reported data: see Table 1 where the AUC, CL, half times, ... for all patients are reported (CL = 0.29 L/h/kg)		1988	729.22	11	4	136.0	10	neutral	7.7	7.7
-Naphtidrofuryl oxalate	31329-57-4	CCN(CC)CCOC(=O)C(Cc1cccc2c1cccc2)CC3CCCO3	0.98	10.8	0.2	1.5	1.35	RYUICHIRO NISHIGAKI, KOSHIRO UMEMURA, KIYOSHI OKUI, TOSHIHIRO HAYASHI, TERUO YAMAMOTO, and YUJI SAKURAI. The Pharmacokinetical Analysis of the Fate of Naphtidrofuryl Oxalate (LS121) in Human Subjects. I. Single Intravenous Infusion and Multiple Intravenous Infusion. YAKUGAKU ZASSHI, 106(10)906-915(1986).//ppb: David R Goldsmith, Keri Wellington. Naphtidofuryl. Drugs and Aging, 2005, 22, 967-977.	Data also available in tabular form (Cp vs. time). Structure refers to free base. LS121 as oxalate, LS84 as free base. N=16 (across two doses), 65 kg average reported. VDss from V1 and k12 and k21. 120 and 200 mg 2 hr infusion. Table V. MRT from clearance and VDss and t1/2 from 0.693beta.//Review article citing ppb taken from another review article.		1964	383.52	4	0	38.8	11	cationic	4.9	3.6
-Flavopiridol	146426-40-6	CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl	1.5	6.1	0.06	4.0	5.2	Zhai S Sausville EA, Senderowicz AM, Ando Y, Headlee D, Messmann RA, Arbuck S, Murgo AJ, Melillo G, Fuse E, and Figg WD (2003) Clinical pharmacology and pharmacogenetics of flavopiridol 1-h i.v. infusion in patients with refractory neoplasms.  Anti-Cancer Drugs. 14: 125-135.  Rudek MA, Bauer KS, Lush RM, Stinson SF,  Senderowicz AM, Headlee DJ, Arbuck SG,  Cox MC, Murgo AJ, Sausville EA, and Figg WD (2003) Clinical pharmacology of flavopiridol following a 72-hour continuous infusion.  Ann. Pharmacother. 37: 1369-1374. 			1961	401.84	6	3	90.2	2	zwitterionic	3.6	2.4
-Lurtotecan	149882-10-0	CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc6c(cc5c4CN7CCN(CC7)C)OCCO6)O	4.77	25.07		3.5	3.54	CJH Gerrits, GJ Creemers, JHM Schellens, P Wissel, AS Th Planting, R Kunka, K Selinger,M de Boer-Dennert, Y Marijnen, M Harteveld, J Verweij. Phase I and pharmacological study of the new topoisomerase I inhibitor G1147211, using a daily x 5 intravenous administration. British Journal of Cancer (1996) 73, 744-750.	GG211 or GI147211. NX211. Quantitation of lactone form. Weight averaged value across several doses, from Table IV (Day 1). N=17 overall. 1.73m2/70 kg factor used.		1993	518.56	10	1	106.4	3	cationic	1.0	-0.084
-Traxoprodil	134234-12-1	C[C@@H]([C@@H](O)c1ccc(O)cc1)N2CCC(O)(CC2)c3ccccc3	4.4	27.0	0.63	2.6	3.7	Taylor TJ, Diringer K, Russell T, Venkatakrishnan K, Wilner K, Crownover PH, Benincosa LJ, and Gibbs MA (2006) Absolute oral bioavailability of traxoprodil in cytochrome P450 2D6 extensive and poor metabolizers.  Clin. Pharmacokin. 45: 989-1001.  	Data from CYP2D6 extensive metabolizers.		1990	327.42	4	3	63.9	4	cationic	2.1	1.0
-Baclofen	1134-47-0	c1cc(ccc1C(CC(=O)O)CN)C	0.65	1.7	0.69	6.36	5.24	Suresh K. Agarwal, Robert L. Kriel, James C. Cloyd, Lisa D. Coles, Lisa A. Scherkenbach, Michael H. Tobin and Linda E. Krach. Pilot Study Assessing Pharmacokinetics and Tolerability of Oral and Intravenous Baclofen in Healthy Adult Volunteers. J Child Neurol published online 14 July 2014. DOI: 10.1177/0883073814535504. ppb (UF method): Wuis EW, Dirks MJ, Termond EF, Vree TB, Van der Kleijn E. 1989. Plasma and urinary excretion kinetics of oral baclofen in healthy subjects. Eur J Clin Pharmacol 37:181–184.	N=12, digitized from plot reported. 5 mg dose. 70 kg average weight assumed. 		1962	193.24	3	2	63.3	4	zwitterionic	1.1	-1.2
-Imipramine	50-49-7	CN(C)CCCN1c2ccccc2CCc3ccccc13	12.0	13.0	0.0749999999999999	15.0	16.0	Brosen K and Gram LF (1988) First-pass metabolism of imipramine and desipramine: impact of the sparteine oxidation phenotype.  Clin. Pharmacol. Ther.  43: 400-406.  Nyberg G and Maartensson E (1984) Determination of free fractions of tricyclic antidepressants.  Naunyn-Sch. Arch. Pharmacol. 327: 260-265.   Danon A and Chen Z (1979) Binding of imipramine to plasma proteins: effect of hyperlipoproteinemia.  Clin. Pharmacol. Ther. 25: 316-321.	VDss was calculated using C vs t data obtained from plots provided in the reference.		1959	280.41	2	0	6.5	4	cationic	4.3	2.7
-Oxybutynin	5633-20-5	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2	0.85	5.1	0.0033999999999999	2.7	7.2	Douchamps J, Derenne F, Stockis A, Gangji D, Juvent M, and Herchuelz A (1988) The pharmacokinetics of oxybutynin in man.  Eur. J. Clin. Pharmacol. 35: 515-520.  Mizushima H, Takanaka K, Abe K, Fukazawa I, and Ishizuka H (2007) Stereoselective pharmacokinetics of oxybutynin and N-desethyloxybutynin in vitro and in vivo. Xenobiotica 37: 59-73.	Parameters calculated from C vs t data obtained by digitization of the plot provided in the reference.  Used data from 1 mg dose.		1964	357.49	4	1	49.8	10	cationic	4.3	3.9
-Eletriptan	143322-58-1	CN1CCC[C@@H]1Cc2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23	1.6	5.3	0.15	5.0	4.2	Milton AK, Scott NR, Allen MJ, Abel S, Jenkins VC, James GC, Rance DJ, and Eve MD (2002) Pharmacokinetics, pharmacodynamics, and safety of the 5-HT1B/1D agonist eletriptan following intravenous and oral administration.  J. Clin. Pharmacol. 42: 528-539.  Relpax Product Label.	VDss was calculated from C vs t data obtained by digitization of the plot (0.102 mg/kg dose only) included in the reference.		1992	382.52	4	1	53.2	6	cationic	3.7	2.2
-Itraconazole	84625-61-6	CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4	7.4	5.1	0.002	24.0	25.0	Heykants J, Van Peer A, Van de Velde V, Van Rooy P, Meuldermans W, Lavrijsen K, Woestenborghs R, Van Cutsem J, and Cauwenbergh G (1989) The clinical pharmacokinetics of itraconazole: an overview.  Mycoses  32(Suppl 1): 67-87.  	VDss was calculated from C vs t data obtained by digitization of the plot provided in the reference.		1983	705.63	12	0	100.8	11	neutral	5.8	5.8
-Temoporfin	122341-38-2	c1(c2[nH]c(c(c3nc(c(c4cc(ccc4)O)c4[nH]c(c(c5nc1CC5)c1cc(ccc1)O)cc4)C=C3)c1cc(ccc1)O)cc2)c1cc(ccc1)O		0.06	0.14		91.5	Temoporfin - EMA Approval PackageScientific Discussion. Accessedd through Pharmapendium.	average of two studies at 0.15 mg/kg in healthy volunteers. VD reported as 0.39 and 0.46 L/kg, without definition and likely to be VDz.	Metabolic pthway not identified. EMA Package	1989	690.83	8	8	136.6	4	neutral	5.1	5.0
-Piperacillin	61477-96-1	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O	0.27	4.0	0.5	1.1	0.96	De Schepper PJ, Tjandramaga TB, Mullie A, Verbesselt R, van Hecken A, Verberckmoes R, and Verbist L (1982) Comparative pharmacokinetics of piperacillin in normals and in patients with renal failure.  J. Antimic. Chemother. 9(Suppl B) 49-57. Tjandramaga TB, Mullie A, Verbesselt R, De Schepper PJ, and Verbist L (1978) Piperacillin: human pharmacokinetics after intravenous and intramuscular administration.  Antimic. Agents Chemother. 14: 829-837.   Bergan T (1984) Pharmacokinetics of beta-lactam antibiotics.  Scand. J. Infect. Dis. 42(Suppl): 83-98.			1977	517.55	12	3	156.4	6	anionic	0.84	-2.5
-Risperidone	106266-06-2	CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1	1.1	5.4	0.1	3.4	3.2	Huang ML, Van Peer A, Woestenborghs R, De Coster R, Heykants J, Jansen AAI, Zylicz Z, Visscher HW, and Jonkman JHG (1993)  Pharmacokinetics of the novel antipsychotic agent risperidone and the prolactin response in healthy subjects.  Clin. Pharmacol. Ther.  54: 257-268.  Mannens G, Meuldermans W, Snoeck E, and Heykants J (1994) Plasma protein binding of risperidone and its distribution in blood.    Psychopharmacology 114: 566-572.	CYP2D6 EM data only.		1986	410.48	6	0	62.2	4	cationic	3.1	2.6
-Belinostat	414864-00-9	c1c(cccc1\C=C\C(NO)=O)S(=O)(=O)Nc1ccccc1	0.8	23.6	0.06	0.6	1.6	U Lassen, LR Molife, M Sorensen, S-A Engelholm, L Vidal, R Sinha, RT Penson, P Buhl-Jensen, E Crowley, J Tjornelund, P Knoblauch,  JS de Bono. Phase I trial of belinostat with carboplatin and/or paclitaxel. British Journal of Cancer (2010) 103, 12 – 17. ppb: The PDR states: In vitro plasma studies have shown that between 92.9% and 95.8% of belinostat is bound to protein in an equilibrium dialysis assay, and was independent of belinostat plasma concentrations from 500 to 25,000 ng/mL. 94% taken as median. Accessed January 7 2015. http://www.pdr3d.com/detail.php?c=126664#section-12	Belinostrat administrated in combination with carboplatin and/or paclitaxel. MRT calculated form VDss and CL. VDss and CL corrected with 1.73 m2/70 kg body surface/body weight factor. (see table II in ref. cited). N=30 (23 patients. For 7of them day 1 and day 3 PK profiles are available) 		2002	318.35	6	3	95.5	5	neutral	1.5	1.4
-Ondansetron	99614-02-5	Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C	1.8	5.8	0.27	5.2	3.4	Pritchard JF, Bryson JC, Kernodle AE, Benedetti TL, and Powell JR (1992) Age and gender effects on ondansetron pharmacokinetics:  evaluation of healthy aged volunteers.  Clin. Pharmacol. Ther. 51: 51-55..  Zofran Product Label.			1985	293.36	4	0	39.8	2	cationic	2.1	1.0
-Pinocembrin	480-39-7	c1ccc([C@H]2Oc3cc(O)cc(c3C(C2)=O)O)cc1	0.8	27.0		0.47	0.7	Determination of pinocembrin in human plasma by solid-phase extraction and LC/MS/MS: application to pharmacokinetic studies Bei Yan, Guoying Cao, Taohua Sun, Xi Zhao, Xin Hu, Jiling Yan, Yueying Peng, Aixin Shi, Yang Li, Wei Xue, Min Lia, Kexin Li*and Yingfa Liu*. Biomedical Chromatography, April 2014. (wileyonlinelibrary.com) DOI 10.1002/bmc.3186.	Digitized from plot reported. 30 minutes infusion, 20 mg, N=8, 70 kg average weight assumed.data in very good agreement with reported values in table.		1928	256.25	4	2	66.8	1	neutral	2.5	2.3
-Cefixime	79350-37-1	Nc1nc(cs1)\C(=N\OCC(=O)O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C	0.24	1.0	0.31	3.9	3.2	Faulkner RD, Fernandez P, Lawrence G, Sia LL, Falkowski AJ, Weiss AI, Yacobi A, and Silber BM (1988) Absolute bioavailability of cefixime in man.  J. Clin. Pharmacol. 28: 700-706. 			1981	453.45	12	4	184.5	8	anionic	-0.38	-6.7
-Bizelesin	129655-21-6	c12c(N(C(c3cc4cc(NC(Nc5cc6c([nH]c(c6)C(N6c7c(c8c([nH]cc8C)c(c7)O)[C@@H](C6)CCl)=O)cc5)=O)ccc4[nH]3)=O)C[C@H]2CCl)cc(O)c2c1c(c[nH]2)C	0.05	0.5		1.7	1.6	Pitot, Henry C.; Reid, Joel M.; Sloan, Jeff A.; Ames, Matthew M.; Adjei, Alex A.; Rubin, Joseph; Bagniewski, Pamela G.; Atherton, Pamela; Rayson, Daniel; Goldberg, Richard M; Erlichman, Charles. A phase I study of bizelesin (NSC 615291) in patients with advanced solid tumors. Clin. Cancer Res. 2002, 8, 712-717.	Weighted average over 17 patients with doses ranging from 0.1 ug/m2 to 1 ug/m2.  1.73m2/70 kg conversion factor used.		1990	815.7	13	8	185.4	6	neutral	5.9	5.9
-1,3-DCQA	19870-46-3	O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O	0.79	8.7		1.5	1.37	Wen-Zheng Ju,Yang Zhao,Fang Liu,Ting Wua,Jun Zhang,Shi-Jia Liu,Lin gZhou,Guo-Liang Dai,Ning-Ning Xiong,Zhu-Yuan Fang. Clinical tolerability and pharmacokinetics of Erigerontis hydroxybenzene injection: Results of a randomized phase I study in healthy Chinese volunteers. Phytomed. 2015, 22, 319–325	1,3-dicaffeoylquinic acid. Data digitized from plot reported. All from average males/females. 6 vials EH product tested for content via HPLC. 1.26 mg total dose, N=6, 57 kg average weight. 1 hr infusion. All AUCinf data within 10% of reported.		1964	516.45	12	7	211.3	9	anionic	2.1	-1.6
-Asenapine	65576-45-6	c12c(cccc1)Oc1ccc(cc1[C@@H]1[C@@H]2CN(C1)C)Cl	23.0	12.4	0.05	30.9		PDR. Accessed February 18 2013. http://www.pdr3d.com/detail.php?c=82606#section-14	SAPHRIS. Asenapine is a high clearance drug with a clearance after intravenous administration of 52 L/h. VDss 20-25 L/kg. 95% bound. 70 kg assumed.no t1/2 reported. MRT from VDss and clearance. 		1985	285.77	2	0	12.5	0	cationic	4.7	3.1
-Oxytetracycline	79-57-2	CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	1.7	2.0	0.9	12.0	10.0	Kunin CM, Darnbush AC, and Finland M (1959) Distribution and excretion of four tetracycline analogs in normal young men.  J. Clin. Invest.  38  1950-1963.	calculated from digitized plots 		1948	460.43	11	7	201.8	2	zwitterionic	-1.9	-4.3
-Chlorthalidone	77-36-1	NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23	3.9	1.5	0.24	43.0	36.0	Fleuren HLJ, Thien TA, Verwey-van Wissen CPW, and von Rossum JM (1979) Absolute bioavailability of chlorthalidone in man: a cross over study after intravenous and oral administration.  Eur. J. Clin. Pharmacol. 15: 35-50.  Dieterle W, Wagner J, and Faigle JW (1976)  Binding of chlorthalidone (Hygroton) to blood components in man.  Eur. J. Clin. Pharmacol. 10: 37-42.			1959	338.77	6	3	109.5	2	neutral	0.85	0.84
-Fenoldopam	67227-56-9	c12[C@@H](c3ccc(O)cc3)CNCCc1c(c(O)c(c2)O)Cl	0.5	41.5	0.12	0.2	1.0	PP. Fenoldopam Mesylate - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 019922 1997-Sep-25  PDF(1763k)	N=12 healthy volunteers. 1 ug/kg/min dose. MRT from VDss and clearance.	PP. Fenoldopam Mesylate - FDA Approval PackageClinical Pharmacology and Biopharmaceutics Review 019922 1997-Sep-25  PDF(1763k)	1980	305.76	4	4	72.7	1	cationic	2.7	1.9
-Doxapram	309-29-5	CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4	1.2	5.3		3.7	4.1	Robson RH and Prescott LF (1978) A pharmacokinetic study of doxapram in patients and volunteers.  Br. J. Clin. Pharmacol. 7: 81-87.  	VDss calculated from digitized from plot reported		1963	378.51	4	0	32.8	6	neutral	3.2	3.1
-Ticarcillin	34787-01-4	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O	0.16	1.8	0.55	1.5	1.0	Watanabe K, Koyama M, Iijima F, Nakazawa H, and Nakahira K (1986) Phase I studies on BRL 28500 (clavulanic acid-ticarcillin).  Chemotherapy 34: 247.  Bergan T (1984) Pharmacokinetics of beta-lactam antibiotics.  Scand. J. Infect. Dis. 42(Suppl): 83-98.  Libke RD, Clarke JT, Ralph ED, Luthy RP, and Kirby WMM (1975) Ticarcillin vs carbenicillin: clinical pharmacokinetics.  Clin. Pharmacol. Ther.  17: 441-446.	Combined data from Watanabe and Libke papers		1972	384.43	8	3	124.0	5	anionic	0.88	-5.7
-CDK-712	626252-75-3	C([C@H]1c2c(cc(c(c2)O)O)CCN1)c1c2c(ccc1)cccc2	1.09	156.0		0.12	1.58	Sang-In Park,JaeWoo Kim, Kyung-Sang Yu, In-Jin Jang, SeungHwan Lee. Changes in Cardiac Function After a Single Intravenous Administration of CKD-712 in Healthy Male Volunteers. Clin Drug Investig 2017 37, 393–403.	Data digitized from plot reported in SI. 160 ug/kg dose, N=6, 1 h infusion. Generally linear except a deviation at 320 ug/kg dose. Starting dose 20 ug/kg. AUC0-inf reported as 16.40 ug.h.L-1. AUC0-inf calculated as 17.09 ug.h.L-1. 4% difference.		2003	305.37	3	3	52.5	2	cationic	3.7	2.6
-Pazopanib	4731-52-6	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	0.16	0.06	0.01	44.4		Pazopanib Hydrochloride - EMA Approval Package. Accessed through Pharmapendium.	70 kg assumed and MRT from VDss and clearance. The mean half-life after a single dose of 800 mg was30.9 ±4 hours (VEG10003). This value is from an oral dose.		2002	437.52	9	2	119.0	5	neutral	4.0	4.0
-Olprinone	106730-54-5	c1(c(cc(c(=O)[nH]1)C#N)c1ccc2n(c1)ccn2)C	0.64	11.0		0.97	1.13	QIN Yong-ping，MIAO Jia，MEI Ya-jun, WANG Ying，NAN Feng，ZHU Xiao-hong, XIANG Jin，SHU Shi-qing，YU Qin，LI Mei，LIANG Mao-zhi. Pharmacokinetic study of olprinone hydrochloride injection in healthy volunteers. Chinese Journal of New Drugs 2015, 24(12), 1397-1403. 	Abstract in English. Article in Chinese. Seemingly 62% excreted unchanged in urine. VDss from clearance and MRTinf reported. Very tight data with N=9 across three doses (averaged) at 5, 10 and 20 ug/kg injected in 5 minutes.		1986	250.26	5	1	74.0	2	neutral	0.59	-2.9
-XK469R	157435-10-4	CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3ccc(cc3n2)Cl	0.19	0.05	0.0035999999999999	63.0	48.2	Wendy Stock,  Samir D. Undevia, Carol Bivins, Farhad Ravandi, Olatoyosi Odenike, Stefan Faderl, Elizabeth Rich, Gautam Borthakur, Lucy Godley, Srdan Verstovsek , Andrew Artz , William Wierda, Richard A. Larson, Yanming Zhang,  Jorge Cortes, Mark J. Ratain, Francis J. Giles. A phase I and pharmacokinetic study of XK469R (NSC 698215), a quinoxaline phenoxypropionic acid derivative, in patients with refractory acute leukemia. // ppb: Alousi AM1, Boinpally R, Wiegand R, Parchment R, Gadgeel S, Heilbrun LK, Wozniak AJ, DeLuca P, LoRusso PM. A phase 1 trial of XK469: toxicity profile of a selective topoisomerase II beta inhibitor. Invest. New Drugs, 2007, 25, 147-154.	Weight averaged across 4 doses (1400 to 2750 mg) average weight assumed to be 70 kg. MRT from clearance and VDss. Both CAS number and smiles refer to free acid		1994	344.75	6	1	81.5	5	anionic	4.0	0.79
-Desferrioxamine	70-51-9	C(CCC(NCCCCCN(C(C)=O)O)=O)(N(CCCCCNC(CCC(N(CCCCCN)O)=O)=O)O)=O	1.35	8.33		2.7	3.05	P. LEE, N. MOHAMMED, L. MARSHALL, A. D. ABEYSINGHE, A. C. HIDER, J. B. PORTER, AND S. SINGH. INTRAVENOUS INFUSION PHARMACOKINETICS OF DESFERRIOXAMINE INTHALASSAEMIC PATIENTS. Drug Metab. Disp. 1993, 21, 640-644.	Deferoxamine. EC 200-738-5. N=11, clearance as dose over AUC appears to be correct. Dose 50 mg/kg/24hr over 48 hours. MRT appears a bit smaller than when calculated from reported AUMC, AUC and clearance. AUC0-inf 354 umol.h.L-1; AUMC0-inf  9170 umol.h2.L-1. All data taken as is from paper. MW 560.69		1960	560.68	14	6	205.8	23	cationic	-2.6	-5.8
-Salvianolic acid B	121521-90-2	c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2[C@@H]([C@H](O3)c4ccc(c(c4)O)O)C(=O)OC(Cc5ccc(c(c5)O)O)C(=O)O)O)O)O	0.14	7.17	0.08	0.42	0.29	Xiuxue Li , Chen Cheng , Fengqing Wang , Yühong Huang , Weiwei Jia , Olajide E. Olaleye ,Meijuan Li , Yanfen Li , Chuan Li. Pharmacokinetics of catechols in human subjects intravenously receiving XueBiJing injection, an emerging antiseptic herbal medicine. Drug Metab. Pharmacokin. 2015. http://dx.doi.org/10.1016/j.dmpk.2015.10.005//ppb: Yuan, Hai-jian; An, Yi-qiang; Chen, Yi-gang . Determination of protein binding rates of salvianolic acid B and danshensu with different plasmas. Zhongguo Shiyan Fangjixue Zazhi. 2014, 20, 136-139.	3 different dosage regimens to 6 M and 6 F each. (three different infusions). Actual doses not reported. Standardized solution? Data averaged across all patients (N=36). Reported to be eliminated by bile after methylation in rat.		1981	718.61	16	9	278.0	14	anionic	3.7	-3.1
-Pancuronium	15500-66-0	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6	0.2	1.5	0.09	2.2	1.9	Caldwell JE, Castagnoli KP, Canfell PC, Fahey MR, Lynam DP, Fisher DM, and Miller RD (1988) Pipecuronium and pancuronium: comparison of pharmacokinetics and duration of action.  Br. J. Anaesth. 61:  693-697.  Wood M, Stone WJ, and Wood AJJ (1983)  Plasma binding of pancuronium:  effects of age, sex, and disease.  Anesth. Analg.  62: 29-32			1966	572.86	6	0	52.6	6	neutral	-0.36	-0.36
-Flunisolide	3385-03-3	O1[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@H]4[C@H](C[C@@]3([C@]2(C(CO)=O)OC1(C)C)C)O	1.08	9.5	0.24	1.89	1.68	Flunisolide metabolism and dynamics of a metabolite.Chaplin MD, Rooks W II, Swenson EW, Cooper WC, Nerenberg C and Chu NI. Clin Pharmacol Ther 1980, 27:402-413.//ppb: Loren M. Berry, Chao Li, and Zhiyang Zhao. Species Differences in Distribution and Prediction of Human Vss from Preclinical Data Drug Metab. Disp. 2011, 39, 2103-2106.	N=9, 1 mg dose. Calculated from reported plot (figure 3) in blood corrected for B/P =0.89. Data in blood and 0.89 B/P reported. Table involving 12 subjects (median weight 81.8 kg) but plot referring to 9 of them. The calculations below were performed after a correction to yield plasma concentration and some adjustment of time points digitized to approach reported AUC (C0 inserted manually). Reported blood AUC for N=12 17.64 hr*ng/mL corresponding to 19.82 hr*ng/mL. 8% difference from computed values.  		1963	434.5	6	2	93.1	2	neutral	2.5	2.5
-Isavuconazole	241479-67-4	[H]O[C@](Cn1cncn1)(c1cc(ccc1F)F)[C@@H](C)c1nc(cs1)c1ccc(C#N)cc1	5.37	0.85	0.01	105.5	86.9	Schmitt-Hoffmann A. et al. Single-​ascending-​dose pharmacokinetics and safety of the novel broad-​spectrum antifungal triazole BAL4815 after intravenous infusions (50, 100, and 200 milligrams) and oral administrations (100, 200, and 400 milligrams) of its prodrug, BAL8557, in healthy volunteers. Antimicrobial Agents and Chemotherapy, 2006, 50(1), 279-285. //ppb: Robert W. Townsend,corresponding author1 Shahzad Akhtar,1 Harry Alcorn, Jolene K. Berg, Donna L. Kowalski, Salim Mujais, and Amit V. Desai. Phase I trial to investigate the effect of renal impairment on isavuconazole pharmacokinetics. Eur J Clin Pharmacol. 2017, 73, 669–678.	PK profiles refer to BAL4815 after iv infusion of prodrug BAL8557. BAL4815 = IsavuconazoleData from 50,100,200 mg equivalents of BAL4815 iv infusion (1 h) dose of prodrug BAL8557, N=18, 77.1(SD 10.4) average weight (57-100Kg). t½ taken as the β phase		1999	437.47	6	1	87.6	8	neutral	4.0	4.0
-Biricodar	159997-94-1	N1([C@@H](CCCC1)C(=O)OC(CCCc1cnccc1)CCCc1cnccc1)C(=O)C(c1cc(c(c(c1)OC)OC)OC)=O	1.34	8.5		2.62	1.1	Ronald A. Peck, Jan Hewett, Matthew W. Harding, Yow-Ming Wang, Pravin R. Chaturvedi, Anish Bhatnagar,Harvey Ziessman, Frank Atkins, and Michael J. Hawkins. Phase I and Pharmacokinetic Study of the Novel MDR1 and MRP1 Inhibitor Biricodar Administered Alone and in Combination With Doxorubicin. Journal of Clinical Oncology,  2001, Vol 19, 3130-3141	VX-710 COMBINED DATA FROM TABLE 6. MRT from VDss and ClearanceThere were no differences in VX-710 pharmacokinetic parameter values between the VX-710 single-agent infusion cycle and the combination therapy cycle (VX-710–doxorubicin), as shown in Fig 3, where selected pharmacokinetic parameters of VX-710 from all patients were plotted by cohorts. VX-710 has linear pharmacokinetics as indicated by the lack of dose dependence in CLs and Vss. In lieu of the observed linear pharmacokinetics, Table 6 summarizes the pharmacokinetic parameters of VX-710 for the combined data from all dose groups and both treatment phases, except for Css, which was proportional to dose and hence summarized by dose cohorts.		1994	603.71	10	0	117.1	16	neutral	5.4	5.4
-CGP31608	107740-67-0	C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN)C(=O)O)O	0.23	7.67		0.5	0.5	R. Wise, J. M. Webberky, J. M. Andrews and J. P. Asbby. The pharmacokinetics and tissue penetration of intravenously administered CGP 31608. Journal of Antimicrobial Chemotherapy (1988) 21, 85-91	Data digitzed from plot reported. 1 g administered to N=6 volunteers in 1 hr infusion. 82.2 kg average weight. Calculated AUCinf essentially identical to reported value.		1985	244.27	6	3	103.9	3	zwitterionic	-2.4	-4.7
-Pentoxifylline	6493-05-6	CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C	1.8	39.0	0.51	0.77	1.2	Beermann B, Ings R, Mansby J, Chamberlain J, and McDonald A (1985) Kinetics of intravenous and oral pentoxifylline in healthy subjects.  Clin. Pharmacol. Ther. 37: 25-28.  Rames A, Poirier JM, LeCoz F, Midavaine M, Lecocq B, Grange JD, Poupon R, Cheymol G, and Jaillon P (1990) Pharmacokinetics of intravenous and oral pentoxifylline in healthy volunteers and in cirrhotic patients.  Clin. Pharmacol. Ther. 47: 354-359.   fu from Lombardo et al J. Clin. Pharmacol. 2013, 53(2), 167-177 and 178-191	Calculated VDss from C vs t data obtained by digitization of plots included in the references. 		1959	278.31	7	0	75.5	5	neutral	0.65	0.65
-Flecainide	54143-55-4	FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2	6.1	4.9	0.52	21.0	12.0	Wang T, Siddoway LA, Thompson KA, Conard GJ, Bergstrand RH, Kvam D, Roden DM, and Woosley RL (1988) The development and testing of intravenous dosing regimens: application to flecainide for teh suppression of ventricular arrhythmias.  Clin. Pharmacol. Ther. 43: 499-508.  Tjandra-Maga TB, Verbesselt R, Van Hecken A, Mullie A, and DeSchepper PJ (1986) Flecainide: single and multiple oral dose kinetics, absolute bioavailability and effect of food and antacid in man.  Br. J. Clin. Pharmacol. 22: 309-316.  Munafo A, Buchlin T, Tuto D, and Biollaz J (1992) The effect of low dose quinidine on the disposition of flecainide in healthy volunteers.  Eur. J. Clin. Pharmacol. 43: 441-443.  Johnston A, Muhiddin KA, and Hamer J (1982) Serum protein binding of flecainide.  Br. J. Clin. Pharmacol. 13: 606P.	VDss from the reference by Wang, et al, was calculated using the compartmental parameters reported in the reference.		1979	414.34	5	2	59.6	7	cationic	3.1	1.6
-Vortioxetine	508233-74-7	CC1=CC=C(SC2=C(C=CC=C2)N2CCNCC2)C(C)=C1	35.3	5.8	0.02	101.0	72.0	Johan Areberg, Birgitte Søgaard and Astrid-Maria Højer. The Clinical Pharmacokinetics of Lu AA21004 and its Major Metabolite in Healthy Young Volunteers Basic & Clinical Pharmacology & Toxicology, 2012, 111, 198–205. ppb: the PDR states: The plasma protein binding of vortioxetine in humans is 98%, independent of plasma concentrations. Accessed January 5 2015. http://www.pdr3d.com/detail.php?c=131238#section-15	 Lu AA21004. Brintellix. Trintellix. AUCinf reported as 376 hr*ng/mL, clearance 26 L/h (5.8 mL/min/kg).  75 kg median weight reported, 10 mg dose over 6 hours infusion. N=22.		2003	298.45	2	1	15.3	3	cationic	4.8	3.1
-OGT719	185843-61-2	O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)n1c(=O)[nH]c(=O)c(c1)F	0.33	1.38		3.95	4.21	Sharma, Ricky A.; Eatock, Martin M.; Twelves, Christopher J.; Brown, Gill; McLelland, Heather R.; Clayton, Kathryn T.; O'Byrne, Kenneth J.; Moyses, Chris; Carmichael, James; Steward, William P.  Bioavailability study of oral and intravenous OGT 719, a novel nucleoside analogue with preferential activity in the liver. Cancer Chemother. Pharmacol. 2001, 48, 197-201.	OGT719 Data digitized from plot reported by  Sharma et al. 250 mg/m2. N=16, 1.73 m2/70kg conversion factor.  85% reported excreted unchenged in urine.		1996	292.22	9	5	145.0	2	neutral	-3.1	-6.6
-Glufosfamide	132682-98-5	P(O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)(=O)(NCCCl)NCCCl	0.24	1.6	0.71	2.49	2.37	 Data (N=13, doses 3200-6000 mg/m2 6h i.v. infusion) reported in Table 5 in Shimizu, Toshio; Okamoto, Isamu; Tamura, Kenji; Satoh, Taroh; Miyazaki, Masaki; Akashi, Yusaku; Ozaki, Tomohiro; Fukuoka, Masahiro; Nakagawa, Kazuhiko.  Phase I clinical and pharmacokinetic study of the glucose-conjugated cytotoxic agent d-19575 (glufosfamide) in patients with solid tumors.    Cancer Chemotherapy and Pharmacology  (2010),  65(2),  243-250.  MRT calculated from CL and VDss.      fu as average of all human serum and human plasma measures reported in Table 4 in Stueben, Joerg; Port, Ruediger; Bertram, Barbara; Bollow, Ursula; Hull, William E.; Schaper, Marianne; Pohl, Joerg; Wiessler, Manfred.  Pharmacokinetics and whole-body distribution of the new chemotherapeutic agent .beta.-D-glucosylisophosporamide mustard and its effects on the incorporation of [methyl-3H]-thymidine in various tissues of the rat.    Cancer Chemotherapy and Pharmacology  (1996),  38(4),  355-365.	Data as weighted average of three doses across 13 patients (3,200/4,500/6000 mg/m2, N-3/7/3). Conversion factor used 1.73m2/70 kg. 6-hour infusion. Also reported as D 19575 		1990	383.16	9	6	140.5	9	neutral	-2.3	-2.3
-Pipemidic acid	51940-44-4	c12c(c(c(C(O)=O)cn1CC)=O)cnc(n2)N1CCNCC1	0.88	2.84	0.7	5.15	3.69	R. CADORNIGA, S. NEGRO, I. MOLINA, J. A. GUTIERREZ. Estudio farmacocinetico del acido pipemidico trihidrato despues de su administracion en perfusion. An. Real Acad. Farm. 1987,53: 585-595//ppb: Shimizu M, Nakamura S, Takase Y, Kurobe N. Pipemidic acid: absorption, distribution, and excretion. Antimicrob Agents Chemother. 1975, 7,441-446.	N=5, 67 kg average weight, 300 mg dose 20' infusion.		1974	303.32	8	2	100.3	3	zwitterionic	0.63	-1.9
-Tocainide	41708-72-9	CC(N)C(=O)Nc1c(C)cccc1C	1.8	2.2	0.87	14.0	12.0	Lalka D, Meyer MB, Duce BR, and Elvin AT (1976) Kinetics of the oral antiarrhythmic lidocaine congener, tocainide.  Clin. Pharmacol. Ther. 19: 757-766.  Thomson AH, Murdoch G, Pottage A, Kelman AW, Whiting B, and Hillis WS (1986) The pharmacokinetics of R- and S-tocainide in patients with acute ventricular arrhythmias.  Br. J. Clin. Pharmacol. 21: 149-154,  Sedman AJ, Bloedow DC, and Gal J (1982) Serum binding of tocainide and its enantiomers in human subjects.  Res. Comm. Chem Path. Pharmacol. 38: 165-168.	Combined data from individual enantiomers.		1973	192.26	3	2	55.1	2	cationic	0.65	0.27
-Alcuronium	23214-96-2	OC\C=C/1\C[N@+]2(CC=C)CC[C@@]34[C@@H]2C[C@@H]1C5=CN6[C@H]7C(=CN([C@H]35)c8ccccc48)[C@H]9C[C@H]%10[C@@]7(CC[N@@+]%10(CC=C)C/C/9=C/CO)c%11ccccc6%11	0.32	1.3		4.1	3.6	Walker J, Shanks CA, and Triggs EJ (1980)  Clinical pharmacokinetics of alcuronium chloride in man.  Eur. J. Clin. Pharmacol. 17: 449-457. 			1960	666.89	6	2	46.9	6	neutral	-4.8	-4.8
-Gavestinel	153436-22-7	[H]N(C(C=Cc1c2c(cc(cc2n([H])c1C(=O)O[H])[Cl])[Cl])=O)c1ccccc1	0.12	0.089	0.002	22.47		Iavarone L et al. First time in human for GV196771: interspecies scaling applied on dose selection. J Clin Pharmacol, 1999, 39, 560-566. 	Data from 100 mg iv dose, 70 Kg weight. MRT calculated from CL and VDss. GV150526. fu reported as fu% but unlikely to be %.  Likely to be fu.		1993	375.21	5	3	82.2	5	anionic	4.6	1.8
-AMP579	213453-89-5	CC[C@H](Cc1c(ccs1)Cl)Nc2c3ccn(c3ncn2)[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)NCC	0.84	12.0	0.03	1.18	1.33	Peter N. Zannikos, PharmD, PhD, Bradford K. Jensen, PhD, Bruno X. Boutouyrie, MD,Lisa Tripp, BS, Luo Yongyi, MS, Tracy McGowan, MD, Scott A. Waldman, MD, PhD,and Howard E. Greenberg, MD, MS. Pharmacokinetics and Safety of Single Intravenous Infusions of the Adenosine Agonist, AMP 579, in Patients with End-Stage Renal Insufficiency. Journal of Clinical Pharmacology, 2000;40:745-751	Data taken from Table II. N=6, healthy volunteers, 50 ug/kg as a 6-hour infusion. MRT from clearance and VDss. Seemingly no significant difference with renally impaired patients.		1998	478.01	8	4	112.3	8	neutral	2.6	2.6
-Moexipril 	103775-10-6	C(c1ccccc1)C[C@H](N[C@H](C(N1Cc2c(C[C@H]1C(O)=O)cc(OC)c(c2)OC)=O)C)C(OCC)=O		6.3	0.12		1.3	Moexipril Hydrochloride - FDA Approval Package Clinical Pharmacology and Biopharmaceutics Review 020312 Part 01. Package accessed through Pharmapendium. March 7 2013.//ppb: https://www.accessdata.fda.gov/drugsatfda_docs/nda/pre96/20-312_Moexipril_Univasc.pdf. Accessed June 27 2017.	VD reported in PDR as about 183 liters, but not specified as VDss or VDz. Likely to be latter. 70 kg assumed as average weight. Accessed March 7 2013.//ppb: data from young subjects. Bining in elderly subjects ~ 48%.	excreted in feces and urine (mostly urine) as moexiprilat (diacid). See label of FDA review package.	1958	498.57	9	2	114.4	12	anionic	3.0	-0.37
-CB 10-277	7203-91-0	CN(C)N=Nc1ccc(cc1)C(=O)O	0.25	1.3		3.0	2.5	Foster BJ, Newell DR, Carmichael J, Harris AL, Gumbrell LA, Jones M, Goodard PM, and Calvert AH (1993) Preclinical, phase I and pharmacokinetic studies with the dimethyl phenyltriazene CB10-277.  Br. J. Canc. 67: 362-368.	Parameters were calculated using C vs t data obtained by digitzation of the plot provided in the reference.		1965	193.2	5	1	65.3	3	anionic	2.5	-0.32
-BB 83698	325795-25-3	CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2	1.1	3.1	0.2	5.9	9.4	Ramanathan-Girish S, McColm J, Clements JM, Taupin P, Barrowcliffe S, Hevizi J, Safrin S, Moore C, Patou G, Moser H, Gadd A, Hoch U, Jiang V, Lofland D, and Johnson KW. Pharmacokinetics in animals and humans of a first-in-class peptide deformylase inhibitor. Antimic. Agents Chemother. (2004)  48: 4835-4842.			2001	530.66	10	2	111.6	9	neutral	2.1	2.1
-Nifedipine	21829-25-4	COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OC)C	0.79	7.3	0.0439999999999999	1.8	1.9	Rashid TJ, Martin U, Clarke H, Waller DG, Renwick AG, and George CF (1995) Factors affecting the absolute bioavailability of nifedipine.  Br. J. Clin. Pharmacol. 40: 51-58.  Robertson DRC, Waller DG, Renwick AG, and George CF (1988) Age-related changes in the pharmacokinetics and pharmacodynamics of nifedipine.  Br. J. Clin. Pharmacol. 25: 297-305.  Kleinbloesem CH, van Harten J, Wilson JPH, Danhof M, van Brummelen P, and Breimer DD (1986) Nifedipine: kinetics and hemodynamic effects in patients with liver cirrhosis after intravenous and oral administration. Clin. Pharmacol. Ther. 40: 21-28.  Kleinbloesem CH, van Brummelen P, van de Linde JA, Voogd PJ, and Breimer DD (1984) Nifedipine: kinetics and dynamics in healthy subjects.  Clin. Pharmacol. Ther. 35: 742-749.    Ramsch KD, Graefe KH, Scherline D, Sommer J, and Ziegler R (1986) Pharmacokinetics and metabolism of calcium-blocking agents nifedipine, nitrendipine, and nimodipine.  Am. J. Nephrol. 6(Suppl 1): 73-80.  			1974	346.33	8	1	110.4	6	neutral	2.4	2.4
-Foscarnet	4428-95-9	OC(=O)P(=O)(O)O	0.5	2.1	0.85	4.0	4.7	Aweeka FT, Gambertoglio JG, Kramer F, van der Horst C, Polsky B, Jayewardene A, Lizak P, Emrick L, Tong W, and Jacobson MA (1995) Foscarnet and ganciclovir pharmacokinetics during concomitant or alternating maintenance therapy for AIDS-related cytomegalovirus retinitis.    Clin. Pharmacol. Ther. 57: 403-412.  Sjovall J, Bergdahl S, Movin G, Ogenstad S, and Saarimaki M (1989) Pharmacokinetics of foscarnet and distribution to cerebrospinal fluid after intravenous infusion in patients with human immunodeficiency virus infection.  Antimic. Agents Chemother. 33: 1023-1031.	Long terminal phase t1/2 of 88 h reported in Sjovall with a 3-compartment model.		1924	126.01	5	3	94.8	1	anionic	-1.2	-7.6
-Lefamulin	1061337-51-6	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@@H]4CC[C@@H](N)C[C@H]4O	1.32	3.96	0.17	5.53	6.4	M. Zeitlinger, R. Schwameis, A. Burian, B. Burian, P. Matzneller, M. Muller, W. W. Wicha, D. B. Strickmann and W. Prince. Simultaneous assessment of the pharmacokinetics of a pleuromutilin, lefamulin, in plasma, soft tissues and pulmonary epithelial lining fluid. J Antimicrob Chemother 2016; 71: 1022–1026.	Data digitized from plot reported. N=12 healthy males, 150 mg as 1-h infusion, 77.6 kg, average weight. AUC0-12 reported as 5772 ng.h.mL-1. calculated 6667 ng.h.mL-1. 15% difference.		2008	507.73	6	3	109.8	6	cationic	3.4	0.75
diff --git a/qsprpred/models/tests.py b/qsprpred/models/tests.py
index 9edef802..245aea63 100644
--- a/qsprpred/models/tests.py
+++ b/qsprpred/models/tests.py
@@ -1,220 +1,57 @@
 """This module holds the tests for functions regarding QSPR modelling."""
 
-import logging
-import numbers
 import os
-from os.path import exists
 from typing import Type
 from unittest import TestCase
 
 import numpy as np
-import pandas as pd
 from parameterized import parameterized
 from sklearn.cross_decomposition import PLSRegression
 from sklearn.ensemble import RandomForestClassifier, RandomForestRegressor
 from sklearn.impute import SimpleImputer
-from sklearn.metrics import get_scorer as get_sklearn_scorer
+from sklearn.metrics import (
+    accuracy_score,
+    explained_variance_score,
+    log_loss,
+    top_k_accuracy_score,
+    mean_squared_error,
+    roc_auc_score,
+)
+from sklearn.metrics import make_scorer
 from sklearn.naive_bayes import GaussianNB
 from sklearn.neighbors import KNeighborsClassifier, KNeighborsRegressor
 from sklearn.svm import SVC, SVR
 from xgboost import XGBClassifier, XGBRegressor
 
-from ..data.data import QSPRDataset
-from ..data.tests import DataSetsMixIn
-from ..models.assessment_methods import CrossValAssessor, TestSetAssessor
+from .assessment.classification import create_metrics_summary
+from .assessment.regression import create_correlation_summary
 from ..models.early_stopping import EarlyStopping, EarlyStoppingMode, early_stopping
-from ..models.hyperparam_optimization import GridSearchOptimization, OptunaOptimization
-from ..models.interfaces import QSPRModel
-from ..models.metrics import SklearnMetric
-from ..models.sklearn import SklearnModel
-from ..models.tasks import ModelTasks, TargetTasks
-
-N_CPUS = 2
-logging.basicConfig(level=logging.DEBUG)
-
+from ..models.metrics import SklearnMetrics
+from ..models.monitors import (
+    BaseMonitor,
+    FileMonitor,
+    ListMonitor,
+)
+from ..models.scikit_learn import SklearnModel
+from ..tasks import TargetTasks
+from ..utils.testing.base import QSPRTestCase
+from ..utils.testing.check_mixins import ModelCheckMixIn, MonitorsCheckMixIn
+from ..utils.testing.path_mixins import ModelDataSetsPathMixIn
+
+
+class SklearnBaseModelTestCase(ModelDataSetsPathMixIn, ModelCheckMixIn, QSPRTestCase):
+    """This class holds the tests for the SklearnModel class."""
 
-class ModelDataSetsMixIn(DataSetsMixIn):
-    """This class sets up the datasets for the model tests."""
     def setUp(self):
-        """Set up the test environment."""
         super().setUp()
-        self.generatedModelsPath = f"{self.generatedPath}/models/"
-        if not os.path.exists(self.generatedModelsPath):
-            os.makedirs(self.generatedModelsPath)
-
-
-class ModelTestMixIn:
-    """This class holds the tests for the QSPRmodel class."""
-    @property
-    def gridFile(self):
-        return f"{os.path.dirname(__file__)}/test_files/search_space_test.json"
-
-    def getParamGrid(self, model: QSPRModel, grid: str) -> dict:
-        """Get the parameter grid for a model.
-
-        Args:
-            model (QSPRModel): The model to get the parameter grid for.
-            grid (str): The grid type to get the parameter grid for.
-
-        Returns:
-            dict: The parameter grid.
-        """
-
-        mname = model.name.split("_")[0]
-        grid_params = model.__class__.loadParamsGrid(self.gridFile, grid, mname)
-        return grid_params[grid_params[:, 0] == mname, 1][0]
-
-    def fitTest(self, model: QSPRModel):
-        """Test model fitting, optimization and evaluation.
-
-        Args:
-            model (QSPRModel): The model to test.
-        """
-        # perform bayes optimization
-        score_func = SklearnMetric.getDefaultMetric(model.task)
-        search_space_bs = self.getParamGrid(model, "bayes")
-        bayesoptimizer = OptunaOptimization(
-            scoring=score_func,
-            param_grid=search_space_bs,
-            n_trials=1,
-            model_assessor=CrossValAssessor(mode=EarlyStoppingMode.NOT_RECORDING),
-        )
-        best_params = bayesoptimizer.optimize(model)
-        model.saveParams(best_params)
-        self.assertTrue(exists(f"{model.outDir}/{model.name}_params.json"))
-        # perform grid search
-        search_space_gs = self.getParamGrid(model, "grid")
-        if model.task.isClassification():
-            score_func = SklearnMetric.getMetric("accuracy")
-        gridsearcher = GridSearchOptimization(
-            scoring=score_func,
-            param_grid=search_space_gs,
-            score_aggregation=np.median,
-            model_assessor=TestSetAssessor(
-                use_proba=False, mode=EarlyStoppingMode.NOT_RECORDING
-            ),
-        )
-        best_params = gridsearcher.optimize(model)
-        model.saveParams(best_params)
-        self.assertTrue(exists(f"{model.outDir}/{model.name}_params.json"))
-        model.cleanFiles()
-        # perform crossvalidation
-        CrossValAssessor(mode=EarlyStoppingMode.RECORDING)(model)
-        TestSetAssessor(mode=EarlyStoppingMode.NOT_RECORDING)(model)
-        self.assertTrue(exists(f"{model.outDir}/{model.name}.ind.tsv"))
-        self.assertTrue(exists(f"{model.outDir}/{model.name}.cv.tsv"))
-        # train the model on all data
-        model.fitAttached()
-        self.assertTrue(exists(model.metaFile))
-        self.assertTrue(exists(f"{model.baseDir}/{model.metaInfo['estimator_path']}"))
-        self.assertTrue(exists(f"{model.baseDir}/{model.metaInfo['parameters_path']}"))
-        self.assertTrue(
-            all(
-                exists(f"{model.baseDir}/{x}")
-                for x in model.metaInfo["feature_calculator_paths"]
-            )
-        )
-        if model.metaInfo["feature_standardizer_path"] is not None:
-            self.assertTrue(
-                exists(
-                    f"{model.baseDir}/{model.metaInfo['feature_standardizer_path']}"
-                )
-            )
-
-    def predictorTest(self, predictor: QSPRModel, **pred_kwargs):
-        """Test a model as predictor.
-
-        Args:
-            predictor (QSPRModel):
-                The model to test.
-            **pred_kwargs:
-                Extra keyword arguments to pass to the predictor's `predictMols` method.
-        """
-
-        # load molecules to predict
-        df = pd.read_csv(
-            f"{os.path.dirname(__file__)}/test_files/data/test_data.tsv", sep="\t"
-        )
-
-        # define checks of the shape of the predictions
-        def check_shape(input_smiles):
-            if predictor.targetProperties[0].task.isClassification() and use_probas:
-                self.assertEqual(len(predictions), len(predictor.targetProperties))
-                self.assertEqual(
-                    predictions[0].shape,
-                    (len(input_smiles), predictor.targetProperties[0].nClasses),
-                )
-            else:
-                self.assertEqual(
-                    predictions.shape,
-                    (len(input_smiles), len(predictor.targetProperties)),
-                )
-
-        # predict the property
-        for use_probas in [True, False]:
-            predictions = predictor.predictMols(
-                df.SMILES.to_list(), use_probas=use_probas, **pred_kwargs
-            )
-            check_shape(df.SMILES.to_list())
-            if isinstance(predictions, list):
-                for prediction in predictions:
-                    self.assertIsInstance(prediction, np.ndarray)
-            else:
-                self.assertIsInstance(predictions, np.ndarray)
-
-            singleoutput = (
-                predictions[0][0,
-                               0] if isinstance(predictions, list) else predictions[0,
-                                                                                    0]
-            )
-            if (
-                predictor.targetProperties[0].task == TargetTasks.REGRESSION or
-                use_probas
-            ):
-                self.assertIsInstance(singleoutput, numbers.Real)
-            elif predictor.targetProperties[
-                0].task == TargetTasks.MULTICLASS or isinstance(
-                    predictor.estimator, XGBClassifier
-                ):
-                self.assertIsInstance(singleoutput, numbers.Integral)
-            elif predictor.targetProperties[0].task == TargetTasks.SINGLECLASS:
-                self.assertIn(singleoutput, [1, 0])
-            else:
-                return AssertionError(f"Unknown task: {predictor.task}")
-            # test with an invalid smiles
-            invalid_smiles = ["C1CCCCC1", "C1CCCCC"]
-            predictions = predictor.predictMols(
-                invalid_smiles, use_probas=use_probas, **pred_kwargs
-            )
-            check_shape(invalid_smiles)
-            singleoutput = (
-                predictions[0][0,
-                               0] if isinstance(predictions, list) else predictions[0,
-                                                                                    0]
-            )
-            self.assertEqual(
-                predictions[0][1,
-                               0] if isinstance(predictions, list) else predictions[1,
-                                                                                    0],
-                None,
-            )
-            if (
-                predictor.targetProperties[0].task == TargetTasks.SINGLECLASS and
-                not isinstance(predictor.estimator, XGBClassifier) and not use_probas
-            ):
-                self.assertIn(singleoutput, [0, 1])
-            else:
-                self.assertIsInstance(singleoutput, numbers.Number)
-
+        self.setUpPaths()
 
-class TestSklearnModel(ModelDataSetsMixIn, ModelTestMixIn, TestCase):
-    """This class holds the tests for the SklearnModel class."""
     def getModel(
         self,
         name: str,
         alg: Type | None = None,
-        dataset: QSPRDataset = None,
         parameters: dict | None = None,
+        random_state: int | None = None,
     ):
         """Create a SklearnModel model.
 
@@ -223,6 +60,9 @@ def getModel(
             alg (Type, optional): the algorithm to use. Defaults to None.
             dataset (QSPRDataset, optional): the dataset to use. Defaults to None.
             parameters (dict, optional): the parameters to use. Defaults to None.
+            random_state(int, optional):
+                Random state to use for shuffling and other random operations. Defaults
+                to None.
 
         Returns:
             SklearnModel: the model
@@ -230,65 +70,240 @@ def getModel(
         return SklearnModel(
             base_dir=self.generatedModelsPath,
             alg=alg,
-            data=dataset,
             name=name,
             parameters=parameters,
+            random_state=random_state,
         )
 
+
+class TestSklearnRegression(SklearnBaseModelTestCase):
+    """Test the SklearnModel class for regression models."""
+
     @parameterized.expand(
         [
-            (alg_name, TargetTasks.REGRESSION, alg_name, alg) for alg, alg_name in (
-                (PLSRegression, "PLSR"),
-                (SVR, "SVR"),
+            (alg_name, TargetTasks.REGRESSION, alg_name, alg, random_state)
+            for alg, alg_name in (
                 (RandomForestRegressor, "RFR"),
                 (XGBRegressor, "XGBR"),
+            )
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+        + [
+            (alg_name, TargetTasks.REGRESSION, alg_name, alg, [None])
+            for alg, alg_name in (
+                (PLSRegression, "PLSR"),
+                (SVR, "SVR"),
                 (KNeighborsRegressor, "KNNR"),
             )
         ]
     )
-    def testRegressionBasicFit(self, _, task, model_name, model_class):
+    def testRegressionBasicFit(self, _, task, model_name, model_class, random_state):
         """Test model training for regression models."""
         if model_name not in ["SVR", "PLSR"]:
-            parameters = {"n_jobs": N_CPUS}
+            parameters = {"n_jobs": self.nCPU}
         else:
             parameters = None
         # initialize dataset
         dataset = self.createLargeTestDataSet(
-            target_props=[{
-                "name": "CL",
-                "task": task
-            }],
+            target_props=[{"name": "CL", "task": task}],
             preparation_settings=self.getDefaultPrep(),
         )
         # initialize model for training from class
         model = self.getModel(
             name=f"{model_name}_{task}",
             alg=model_class,
-            dataset=dataset,
             parameters=parameters,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
+
+        # load in model from file
         predictor = SklearnModel(name=f"{model_name}_{task}", base_dir=model.baseDir)
-        self.predictorTest(predictor)
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_{task}",
+                alg=model_class,
+                parameters=parameters,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            new_predictor = SklearnModel(
+                name=f"{model_name}_{task}", base_dir=model.baseDir
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
+
+    def testPLSRegressionSummaryWithSeed(self):
+        """Test model training for regression models."""
+        task = TargetTasks.REGRESSION
+        model_name = "PLSR"
+        model_class = PLSRegression
+        parameters = None
+        dataset = self.createLargeTestDataSet(
+            target_props=[{"name": "CL", "task": task}],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        model = self.getModel(
+            name=f"{model_name}_{task}",
+            alg=model_class,
+            parameters=parameters,
+        )
+        self.fitTest(model, dataset)
+        expected_summary = create_correlation_summary(model)
+
+        # Generate summary again, check that the result is identical
+        model = self.getModel(
+            name=f"{model_name}_{task}",
+            alg=model_class,
+            parameters=parameters,
+        )
+        self.fitTest(model, dataset)
+        summary = create_correlation_summary(model)
+
+        self.assertListEqual(summary["ModelName"], expected_summary["ModelName"])
+        self.assertListEqual(summary["R2"], expected_summary["R2"])
+        self.assertListEqual(summary["RMSE"], expected_summary["RMSE"])
+        self.assertListEqual(summary["Set"], expected_summary["Set"])
+
+
+class TestSklearnRegressionMultiTask(SklearnBaseModelTestCase):
+    """Test the SklearnModel class for multi-task regression models."""
 
     @parameterized.expand(
         [
-            (f"{alg_name}_{task}", task, th, alg_name, alg) for alg, alg_name in (
-                (SVC, "SVC"),
+            (alg_name, alg_name, alg, random_state)
+            for alg, alg_name in ((RandomForestRegressor, "RFR"),)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+        + [
+            (alg_name, alg_name, alg, [None])
+            for alg, alg_name in ((KNeighborsRegressor, "KNNR"),)
+        ]
+    )
+    def testRegressionMultiTaskFit(self, _, model_name, model_class, random_state):
+        """Test model training for multitask regression models."""
+        # initialize dataset
+        dataset = self.createLargeTestDataSet(
+            target_props=[
+                {
+                    "name": "fu",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+                {
+                    "name": "CL",
+                    "task": TargetTasks.REGRESSION,
+                    "imputer": SimpleImputer(strategy="mean"),
+                },
+            ],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        # test classifier
+        # initialize model for training from class
+        model = self.getModel(
+            name=f"{model_name}_multitask_regression",
+            alg=model_class,
+            random_state=random_state[0],
+        )
+        self.fitTest(model, dataset)
+
+        # load in model from file
+        predictor = SklearnModel(
+            name=f"{model_name}_multitask_regression", base_dir=model.baseDir
+        )
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None and model_name in ["RFR"]:
+            model = self.getModel(
+                name=f"{model_name}_multitask_regression",
+                alg=model_class,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            predictor_new = SklearnModel(
+                name=f"{model_name}_multitask_regression", base_dir=model.baseDir
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=predictor_new,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
+
+
+class TestSklearnSerialization(SklearnBaseModelTestCase):
+    def testJSON(self):
+        dataset = self.createLargeTestDataSet(
+            target_props=[{"name": "CL", "task": TargetTasks.SINGLECLASS, "th": [6.5]}],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        model = self.getModel(
+            name="TestSerialization",
+            alg=RandomForestClassifier,
+            parameters={"n_jobs": self.nCPU, "n_estimators": 10},
+            random_state=42,
+        )
+        model.save()
+        content = model.toJSON()
+        model2 = SklearnModel.fromJSON(content)
+        model2.baseDir = model.baseDir
+        model3 = SklearnModel.fromFile(model.metaFile)
+        model4 = SklearnModel(name=model.name, base_dir=model.baseDir)
+        self.assertEqual(model.metaFile, model2.metaFile)
+        self.assertEqual(model.metaFile, model3.metaFile)
+        self.assertEqual(model.metaFile, model4.metaFile)
+        self.assertEqual(model.toJSON(), model2.toJSON())
+        self.assertEqual(model.toJSON(), model3.toJSON())
+        self.assertEqual(model.toJSON(), model4.toJSON())
+
+
+class TestSklearnClassification(SklearnBaseModelTestCase):
+    """Test the SklearnModel class for classification models."""
+
+    @parameterized.expand(
+        [
+            (f"{alg_name}_{task}", task, th, alg_name, alg, random_state)
+            for alg, alg_name in (
                 (RandomForestClassifier, "RFC"),
                 (XGBClassifier, "XGBC"),
+            )
+            for task, th in (
+                (TargetTasks.SINGLECLASS, [6.5]),
+                (TargetTasks.MULTICLASS, [0, 2, 10, 1100]),
+            )
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+        + [
+            (f"{alg_name}_{task}", task, th, alg_name, alg, [None])
+            for alg, alg_name in (
+                (SVC, "SVC"),
                 (KNeighborsClassifier, "KNNC"),
                 (GaussianNB, "NB"),
-            ) for task, th in (
+            )
+            for task, th in (
                 (TargetTasks.SINGLECLASS, [6.5]),
-                (TargetTasks.MULTICLASS, [0, 1, 10, 1100]),
+                (TargetTasks.MULTICLASS, [0, 2, 10, 1100]),
             )
         ]
     )
-    def testClassificationBasicFit(self, _, task, th, model_name, model_class):
+    def testClassificationBasicFit(
+        self, _, task, th, model_name, model_class, random_state
+    ):
         """Test model training for classification models."""
         if model_name not in ["NB", "SVC"]:
-            parameters = {"n_jobs": N_CPUS}
+            parameters = {"n_jobs": self.nCPU}
         else:
             parameters = None
         # special case for SVC
@@ -297,13 +312,12 @@ def testClassificationBasicFit(self, _, task, th, model_name, model_class):
                 parameters.update({"probability": True})
             else:
                 parameters = {"probability": True}
+        # special case for XGB, set subsample to 0.6 to introduce randomness
+        if model_name == "XGBC":
+            parameters = {"subsample": 0.3}
         # initialize dataset
         dataset = self.createLargeTestDataSet(
-            target_props=[{
-                "name": "CL",
-                "task": task,
-                "th": th
-            }],
+            target_props=[{"name": "CL", "task": task, "th": th}],
             preparation_settings=self.getDefaultPrep(),
         )
         # test classifier
@@ -311,63 +325,88 @@ def testClassificationBasicFit(self, _, task, th, model_name, model_class):
         model = self.getModel(
             name=f"{model_name}_{task}",
             alg=model_class,
-            dataset=dataset,
             parameters=parameters,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
+
+        # load in model from file
         predictor = SklearnModel(name=f"{model_name}_{task}", base_dir=model.baseDir)
-        self.predictorTest(predictor)
 
-    @parameterized.expand(
-        [
-            (alg_name, alg_name, alg) for alg, alg_name in (
-                (RandomForestRegressor, "RFR"),
-                (KNeighborsRegressor, "KNNR"),
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_{task}",
+                alg=model_class,
+                parameters=parameters,
+                random_state=random_state[1],
             )
-        ]
-    )
-    def testRegressionMultiTaskFit(self, _, model_name, model_class):
-        """Test model training for multitask regression models."""
+            self.fitTest(model, dataset)
+            new_predictor = SklearnModel(
+                name=f"{model_name}_{task}", base_dir=model.baseDir
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
+
+    def testRandomForestClassifierFitWithSeed(self):
+        parameters = {
+            "n_jobs": self.nCPU,
+        }
         # initialize dataset
         dataset = self.createLargeTestDataSet(
-            target_props=[
-                {
-                    "name": "fu",
-                    "task": TargetTasks.REGRESSION
-                },
-                {
-                    "name": "CL",
-                    "task": TargetTasks.REGRESSION
-                },
-            ],
-            target_imputer=SimpleImputer(strategy="mean"),
+            target_props=[{"name": "CL", "task": TargetTasks.SINGLECLASS, "th": [6.5]}],
             preparation_settings=self.getDefaultPrep(),
         )
         # test classifier
         # initialize model for training from class
         model = self.getModel(
-            name=f"{model_name}_multitask_regression",
-            alg=model_class,
-            dataset=dataset,
+            name=f"RFC_{TargetTasks.SINGLECLASS}",
+            alg=RandomForestClassifier,
+            parameters=parameters,
         )
-        self.fitTest(model)
-        predictor = SklearnModel(
-            name=f"{model_name}_multitask_regression", base_dir=model.baseDir
+        self.fitTest(model, dataset)
+        expected_summary = create_metrics_summary(model)
+
+        # Generate summary again, check that the result is identical
+        model = self.getModel(
+            name=f"RFC_{TargetTasks.SINGLECLASS}",
+            alg=RandomForestClassifier,
+            parameters=parameters,
         )
-        self.predictorTest(predictor)
+        self.fitTest(model, dataset)
+        summary = create_metrics_summary(model)
+
+        self.assertListEqual(summary["Metric"], expected_summary["Metric"])
+        self.assertListEqual(summary["Model"], expected_summary["Model"])
+        self.assertListEqual(summary["TestSet"], expected_summary["TestSet"])
+        self.assertListEqual(summary["Value"], expected_summary["Value"])
+
+
+class TestSklearnClassificationMultiTask(SklearnBaseModelTestCase):
+    """Test the SklearnModel class for multi-task classification models."""
 
     @parameterized.expand(
         [
-            (alg_name, alg_name, alg) for alg, alg_name in (
-                (RandomForestClassifier, "RFC"),
-                (KNeighborsClassifier, "KNNC"),
-            )
+            (alg_name, alg_name, alg, random_state)
+            for alg, alg_name in ((RandomForestClassifier, "RFC"),)
+            for random_state in ([None], [1, 42], [42, 42])
+        ]
+        + [
+            (alg_name, alg_name, alg, [None])
+            for alg, alg_name in ((KNeighborsClassifier, "KNNC"),)
         ]
     )
-    def testClassificationMultiTaskFit(self, _, model_name, model_class):
+    def testClassificationMultiTaskFit(self, _, model_name, model_class, random_state):
         """Test model training for multitask classification models."""
         if model_name not in ["NB", "SVC"]:
-            parameters = {"n_jobs": N_CPUS}
+            parameters = {"n_jobs": self.nCPU}
         else:
             parameters = {}
         # special case for SVC
@@ -379,15 +418,16 @@ def testClassificationMultiTaskFit(self, _, model_name, model_class):
                 {
                     "name": "fu",
                     "task": TargetTasks.SINGLECLASS,
-                    "th": [0.3]
+                    "th": [0.3],
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
                 {
                     "name": "CL",
                     "task": TargetTasks.SINGLECLASS,
-                    "th": [6.5]
+                    "th": [6.5],
+                    "imputer": SimpleImputer(strategy="mean"),
                 },
             ],
-            target_imputer=SimpleImputer(strategy="mean"),
             preparation_settings=self.getDefaultPrep(),
         )
         # test classifier
@@ -395,95 +435,148 @@ def testClassificationMultiTaskFit(self, _, model_name, model_class):
         model = self.getModel(
             name=f"{model_name}_multitask_classification",
             alg=model_class,
-            dataset=dataset,
             parameters=parameters,
+            random_state=random_state[0],
         )
-        self.fitTest(model)
+        self.fitTest(model, dataset)
+
+        # load in model from file
         predictor = SklearnModel(
             name=f"{model_name}_multitask_classification", base_dir=model.baseDir
         )
-        self.predictorTest(predictor)
+
+        # make predictions with the trained model and check if the results are (not)
+        # equal if the random state is the (not) same
+        if random_state[0] is not None:
+            model = self.getModel(
+                name=f"{model_name}_multitask_classification",
+                alg=model_class,
+                parameters=parameters,
+                random_state=random_state[1],
+            )
+            self.fitTest(model, dataset)
+            new_predictor = SklearnModel(
+                name=f"{model_name}_multitask_classification", base_dir=model.baseDir
+            )
+            self.predictorTest(
+                predictor,
+                dataset=dataset,
+                comparison_model=new_predictor,
+                expect_equal_result=random_state[0] == random_state[1],
+            )
+        else:
+            self.predictorTest(predictor, dataset=dataset)
 
 
 class TestMetrics(TestCase):
     """Test the SklearnMetrics from the metrics module."""
-    def checkMetric(self, metric, task, y_true, y_pred, y_pred_proba=None):
-        """Check if the metric is correctly implemented."""
-        scorer = SklearnMetric.getMetric(metric)
-        self.assertEqual(scorer.name, metric)
-        self.assertTrue(scorer.supportsTask(task))
-        # lambda function to get the sklearn scoring function from the scorer object
-        sklearn_scorer = get_sklearn_scorer(metric)
-
-        def sklearn_func(y_true, y_pred):
-            return sklearn_scorer._sign * sklearn_scorer._score_func(
-                y_true, y_pred, **sklearn_scorer._kwargs
-            )
 
-        # perform the test
-        if y_pred_proba is not None and scorer.needsProbasToScore:
-            self.assertEqual(
-                scorer(y_true, y_pred_proba), sklearn_func(y_true, y_pred_proba)
-            )
-        else:
-            self.assertEqual(scorer(y_true, y_pred), sklearn_func(y_true, y_pred))
+    def test_SklearnMetrics(self):
+        """Test the sklearn metrics wrapper."""
 
-    def test_RegressionMetrics(self):
-        """Test the regression metrics."""
+        # test regression metrics
         y_true = np.array([1.2, 2.2, 3.2, 4.2, 5.2])
-        y_pred = np.array([1.2, 2.2, 3.2, 4.2, 5.2])
-        for metric in SklearnMetric.regressionMetrics:
-            self.checkMetric(metric, ModelTasks.REGRESSION, y_true, y_pred)
+        y_pred = np.array([[2.2], [2.2], [3.2], [4.2], [5.2]])
+
+        ## test explained variance score with scorer from metric
+        metric = explained_variance_score
+        qsprpred_scorer = SklearnMetrics(make_scorer(metric))
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),  # 2D np array standard in QSPRpred
+            metric(y_true, np.squeeze(y_pred)),  # 1D np array standard in sklearn
+        )
+
+        ## test RMSE score with scorer from str (smaller is better)
+        qsprpred_scorer = SklearnMetrics("neg_mean_squared_error")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),
+            -mean_squared_error(y_true, np.squeeze(y_pred)),  # negated
+        )
+
+        ## test multitask regression
+        y_true = np.array([[1.2, 2.2], [3.2, 4.2], [5.2, 1.2], [2.2, 3.2], [4.2, 5.2]])
+        y_pred = np.array([[2.2, 2.2], [3.2, 4.2], [5.2, 1.2], [2.2, 3.2], [4.2, 5.2]])
+        qsprpred_scorer = SklearnMetrics("explained_variance")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred), explained_variance_score(y_true, y_pred)
+        )
 
-    def test_SingleClassMetrics(self):
-        """Test the single class metrics."""
+        # test classification metrics
+        ## single class discrete
         y_true = np.array([1, 0, 1, 0, 1])
-        y_pred = np.array([1, 0, 1, 0, 1])
-        y_pred_proba = np.array([0.9, 0.2, 0.8, 0.1, 0.9])
-        for metric in SklearnMetric.singleClassMetrics:
-            self.checkMetric(
-                metric, ModelTasks.SINGLECLASS, y_true, y_pred, y_pred_proba
-            )
+        y_pred = np.array([[0], [0], [1], [0], [1]])
+        qsprpred_scorer = SklearnMetrics("accuracy")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred), accuracy_score(y_true, np.squeeze(y_pred))
+        )
 
-    def test_MultiClassMetrics(self):
-        """Test the multi class metrics."""
-        y_true = np.array([0, 1, 2, 1, 1])
-        y_pred = np.array([0, 1, 2, 1, 1])
-        y_pred_proba = np.array(
-            [
-                [0.9, 0.1, 0.0],
-                [0.1, 0.8, 0.1],
-                [0.0, 0.1, 0.9],
-                [0.1, 0.8, 0.1],
-                [0.1, 0.8, 0.1],
-            ]
-        )
-        for metric in SklearnMetric.multiClassMetrics:
-            self.checkMetric(
-                metric, ModelTasks.MULTICLASS, y_true, y_pred, y_pred_proba
+        ## single class proba
+        y_true = np.array([1, 0, 1, 0, 1])
+        y_pred = [
+            np.array([[0.2, 0.8], [0.2, 0.8], [0.8, 0.2], [0.1, 0.9], [0.9, 0.1]])
+        ]  # list of 2D np.arrays
+        qsprpred_scorer = SklearnMetrics("neg_log_loss")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred), -log_loss(y_true, np.squeeze(y_pred[0]))
+        )
+
+        ## multi-class with threshold
+        y_true = np.array([1, 2, 1, 0, 1])
+        y_pred = [
+            np.array(
+                [
+                    [0.9, 0.1, 0.0],
+                    [0.1, 0.8, 0.1],
+                    [0.0, 0.1, 0.9],
+                    [0.1, 0.8, 0.1],
+                    [0.1, 0.8, 0.1],
+                ]
             )
+        ]  # list of 2D np.arrays
+        qsprpred_scorer = SklearnMetrics(
+            make_scorer(top_k_accuracy_score, needs_threshold=True, k=2)
+        )
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),
+            top_k_accuracy_score(y_true, y_pred[0], k=2),
+        )
 
-    def test_MultiTaskRegressionMetrics(self):
-        """Test the multi task regression metrics."""
-        y_true = np.array([[1.2, 2.2, 3.2, 4.2, 5.2], [1.2, 2.2, 3.2, 4.2, 5.2]])
-        y_pred = np.array([[1.2, 2.2, 3.2, 4.2, 5.2], [1.2, 2.2, 3.2, 4.2, 5.2]])
-        for metric in SklearnMetric.multiTaskRegressionMetrics:
-            self.checkMetric(metric, ModelTasks.MULTITASK_REGRESSION, y_true, y_pred)
+        ## multi-class discrete scorer (_PredictScorer)
+        qsprpred_scorer = SklearnMetrics("accuracy")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),
+            accuracy_score(y_true, np.argmax(y_pred[0], axis=1)),
+        )
 
-    def test_MultiTaskSingleClassMetrics(self):
-        """Test the multi task single class metrics."""
+        ## multi-task single class (same as multi-label in sklearn)
+        ### proba
         y_true = np.array([[1, 0], [1, 1], [1, 0], [0, 0], [1, 0]])
-        y_pred = np.array([[1, 0], [1, 1], [1, 0], [0, 0], [1, 0]])
-        y_pred_proba = np.array(
-            [[0.9, 0.6], [0.5, 0.4], [0.3, 0.8], [0.7, 0.1], [1, 0.4]]
+        y_pred = [
+            np.array([[0.2, 0.8], [0.2, 0.8], [0.8, 0.2], [0.1, 0.9], [0.9, 0.1]]),
+            np.array([[0.2, 0.8], [0.2, 0.8], [0.8, 0.2], [0.1, 0.9], [0.9, 0.1]]),
+        ]  # list of 2D np.arrays
+        qsprpred_scorer = SklearnMetrics("roc_auc_ovr")
+        y_pred_sklearn = np.array([y_pred[0][:, 1], y_pred[1][:, 1]]).T
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),
+            roc_auc_score(y_true, y_pred_sklearn, multi_class="ovr"),
+        )
+
+        ### discrete
+        y_true = np.array([[1, 0], [1, 1], [1, 0], [0, 0], [1, 0]])
+        y_pred = np.array([[0, 0], [1, 1], [0, 0], [0, 0], [1, 0]])
+        qsprpred_scorer = SklearnMetrics("accuracy")
+        self.assertEqual(
+            qsprpred_scorer(y_true, y_pred),
+            accuracy_score(y_true, y_pred),
         )
-        for metric in SklearnMetric.multiTaskSingleClassMetrics:
-            self.checkMetric(
-                metric, ModelTasks.MULTITASK_SINGLECLASS, y_true, y_pred, y_pred_proba
-            )
 
 
-class TestEarlyStopping(ModelDataSetsMixIn, TestCase):
+class TestEarlyStopping(ModelDataSetsPathMixIn, TestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     def test_earlyStoppingMode(self):
         """Test the early stopping mode enum."""
         # get the enum values
@@ -540,17 +633,12 @@ def test_EarlyStopping(self):
         self.assertEqual(earlystopping.getEpochs(), 30)
 
         # check saving
-        earlystopping.toFile(
-            f"{os.path.dirname(__file__)}/test_files/earlystopping.json"
-        )
-        self.assertTrue(
-            os.path.
-            exists(f"{os.path.dirname(__file__)}/test_files/earlystopping.json")
-        )
+        earlystopping.toFile(f"{self.inputBasePath}/earlystopping.json")
+        self.assertTrue(os.path.exists(f"{self.inputBasePath}/earlystopping.json"))
 
         # check loading
         earlystopping2 = EarlyStopping.fromFile(
-            f"{os.path.dirname(__file__)}/test_files/earlystopping.json"
+            f"{self.inputBasePath}/earlystopping.json"
         )
         self.assertEqual(earlystopping2.trainedEpochs, [10, 20, 30, 40, 60])
         self.assertEqual(earlystopping2.mode, EarlyStoppingMode.OPTIMAL)
@@ -560,13 +648,23 @@ def test_EarlyStopping(self):
 
     def test_early_stopping_decorator(self):
         """Test the early stopping decorator."""
+
         class test_class:
             def __init__(self, support=True):
                 self.earlyStopping = EarlyStopping(EarlyStoppingMode.RECORDING)
                 self.supportsEarlyStopping = support
 
             @early_stopping
-            def test_func(self, X, y, estimator, mode, **kwargs):
+            def test_func(
+                self,
+                X,
+                y,
+                estimator=None,
+                mode=EarlyStoppingMode.NOT_RECORDING,
+                split=None,
+                monitor=None,
+                **kwargs,
+            ):
                 return None, kwargs["best_epoch"]
 
         test_obj = test_class()
@@ -599,3 +697,58 @@ def test_func(self, X, y, estimator, mode, **kwargs):
         test_obj = test_class(support=False)
         with self.assertRaises(AssertionError):
             _ = test_obj.test_func(None, None, None, best_epoch=40)
+
+
+class TestMonitors(MonitorsCheckMixIn, TestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def testBaseMonitor(self):
+        """Test the base monitor"""
+        model = SklearnModel(
+            base_dir=self.generatedModelsPath,
+            alg=RandomForestRegressor,
+            name="RFR",
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            BaseMonitor,
+            self.baseMonitorTest,
+            False,
+        )
+
+    def testFileMonitor(self):
+        """Test the file monitor"""
+        model = SklearnModel(
+            base_dir=self.generatedModelsPath,
+            alg=RandomForestRegressor,
+            name="RFR",
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            FileMonitor,
+            self.fileMonitorTest,
+            False,
+        )
+
+    def testListMonitor(self):
+        """Test the list monitor"""
+        model = SklearnModel(
+            base_dir=self.generatedModelsPath,
+            alg=RandomForestRegressor,
+            name="RFR",
+            random_state=42,
+        )
+        self.runMonitorTest(
+            model,
+            self.createLargeTestDataSet(preparation_settings=self.getDefaultPrep()),
+            ListMonitor,
+            self.listMonitorTest,
+            False,
+            [BaseMonitor(), FileMonitor()],
+        )
diff --git a/qsprpred/plotting/interfaces.py b/qsprpred/plotting/base_plot.py
similarity index 93%
rename from qsprpred/plotting/interfaces.py
rename to qsprpred/plotting/base_plot.py
index 64a125f2..497edc69 100644
--- a/qsprpred/plotting/interfaces.py
+++ b/qsprpred/plotting/base_plot.py
@@ -3,7 +3,7 @@
 from abc import ABC, abstractmethod
 from typing import Any
 
-from ..models.interfaces import QSPRModel
+from ..models.models import QSPRModel
 
 
 class ModelPlot(ABC):
@@ -55,13 +55,13 @@ def checkModel(self, model: QSPRModel) -> tuple[str, str]:
         ind_path = f"{self.modelOuts[model]}.ind.tsv"
         if model.task not in self.getSupportedTasks():
             raise ValueError("Unsupported model type: %s" % model.task)
-        if "estimator_path" in model.metaInfo["estimator_path"] and not os.path.exists(
-            model.metaInfo["estimator_path"]
+        if not os.path.exists(
+            model.metaFile
         ):
             raise ValueError(
                 "Model output file does not exist: %s. "
                 "Have you evaluated and saved the model, yet?" %
-                model.metaInfo["estimator_path"]
+                model.metaFile
             )
         if not os.path.exists(cv_path):
             raise ValueError(
diff --git a/qsprpred/plotting/classification.py b/qsprpred/plotting/classification.py
index ecad1b72..c7799935 100644
--- a/qsprpred/plotting/classification.py
+++ b/qsprpred/plotting/classification.py
@@ -1,10 +1,13 @@
 """Plotting functions for classification models."""
 import os.path
+import re
 from abc import ABC
-from typing import Any, List
+from copy import deepcopy
+from typing import List, Literal
 
 import numpy as np
 import pandas as pd
+import seaborn as sns
 from matplotlib import pyplot as plt
 from sklearn.calibration import CalibrationDisplay
 from sklearn.metrics import (
@@ -16,25 +19,241 @@
     matthews_corrcoef,
     precision_score,
     recall_score,
+    roc_auc_score,
+    confusion_matrix,
 )
 
-from ..metrics.calibration import calibration_error
-from ..models.interfaces import QSPRModel
-from ..models.tasks import ModelTasks
-from ..plotting.interfaces import ModelPlot
+from ..models.metrics import calibration_error
+from ..models.models import QSPRModel
+from ..plotting.base_plot import ModelPlot
+from ..tasks import ModelTasks
 
 
 class ClassifierPlot(ModelPlot, ABC):
     """Base class for plots of classification models."""
+
     def getSupportedTasks(self) -> List[ModelTasks]:
         """Return a list of tasks supported by this plotter."""
-        return [ModelTasks.SINGLECLASS, ModelTasks.MULTITASK_SINGLECLASS]
+        return [
+            ModelTasks.SINGLECLASS,
+            ModelTasks.MULTICLASS,
+            ModelTasks.MULTITASK_SINGLECLASS,
+            ModelTasks.MULTITASK_MULTICLASS,
+        ]
+
+    def prepareAssessment(self, assessment_df: pd.DataFrame) -> pd.DataFrame:
+        """Prepare assessment dataframe for plotting
+
+        Args:
+            assessment_df (pd.DataFrame):
+                the assessment dataframe containing the experimental and predicted
+                values for each property. The dataframe should have the following
+                columns:
+                QSPRID, Fold (opt.), <property_name>_<suffixes>_<Label/Prediction/ProbabilityClass_X>
+
+        Returns:
+            pd.DataFrame:
+                The dataframe containing the assessment results,
+                columns: QSPRID, Fold, Property, Label, Prediction, Class, Set
+        """
+        # change all property columns into one column
+        id_vars = ["QSPRID", "Fold"] if "Fold" in assessment_df.columns else ["QSPRID"]
+        df = assessment_df.melt(id_vars=id_vars)
+        # split the variable (<property_name>_<suffixes>_<Label/Prediction/ProbabilityClass_X>) column
+        # into the property name and the type (Label or Prediction or ProbabilityClass_X)
+        pattern = re.compile(
+            r"^(?P<Property>.*?)_(?P<type>Label|Prediction|ProbabilityClass_\d+)$"
+        )
+        df[["Property", "type"]] = df["variable"].apply(
+            lambda x: pd.Series(pattern.match(x).groupdict())
+        )
+        df.drop("variable", axis=1, inplace=True)
+        # pivot the dataframe so that Label and Prediction are separate columns
+        df = df.pivot_table(
+            index=[*id_vars, "Property"], columns="type", values="value"
+        )
+        df.reset_index(inplace=True)
+        df.columns.name = None
+        df["Label"] = df["Label"].astype(int)
+        df["Prediction"] = df["Prediction"].astype(int)
+        # Add Fold column if it doesn't exist (for independent test set)
+        if "Fold" not in df.columns:
+            df["Fold"] = "Independent Test"
+            df["Set"] = "Independent Test"
+        else:
+            df["Set"] = "Cross Validation"
+        return df
+
+    def prepareClassificationResults(self) -> pd.DataFrame:
+        """Prepare classification results dataframe for plotting.
+
+        Returns:
+            pd.DataFrame:
+                the dataframe containing the classficiation results,
+                columns: Model, QSPRID, Fold, Property, Label, Prediction, Set
+        """
+        model_results = {}
+        for m, model in enumerate(self.models):
+            # Read in and prepare the cross-validation and independent test set results
+            df_cv = self.prepareAssessment(pd.read_table(self.cvPaths[model]))
+            df_ind = self.prepareAssessment(pd.read_table(self.indPaths[model]))
+            # concatenate the cross-validation and independent test set results
+            df = pd.concat([df_cv, df_ind])
+            print(model.name)
+            model_results[model.name] = df
+        # concatenate the results from all models and add the model name as a column
+        df = (
+            pd.concat(
+                model_results.values(), keys=model_results.keys(), names=["Model"]
+            )
+            .reset_index(level=1, drop=True)
+            .reset_index()
+        )
+
+        self.results = df
+        return df
+
+    def calculateMultiClassMetrics(self, df, average_type, n_classes):
+        """Calculate metrics for a given dataframe."""
+        # check if ProbabilityClass_X columns exist
+        proba = all([f"ProbabilityClass_{i}" in df.columns for i in range(n_classes)])
+
+        if average_type == "All":
+            metrics = {
+                "accuracy": accuracy_score(df.Label, df.Prediction),
+                "matthews_corrcoef": matthews_corrcoef(df.Label, df.Prediction),
+            }
+            if proba:
+                metrics["calibration_error"] = calibration_error(
+                    df.Label, df[[f"ProbabilityClass_{i}" for i in range(n_classes)]]
+                )
+            return pd.Series(metrics)
+
+        # check if average type is int (i.e. class number, so we can calculate metrics for a single class)
+        if isinstance(average_type, int):
+            class_num = average_type
+            average_type = None
+
+        metrics = {
+            "precision": precision_score(df.Label, df.Prediction, average=average_type),
+            "recall": recall_score(df.Label, df.Prediction, average=average_type),
+            "f1": f1_score(df.Label, df.Prediction, average=average_type),
+        }
+        if proba:
+            metrics["roc_auc_ovr"] = roc_auc_score(
+                df.Label,
+                df[[f"ProbabilityClass_{i}" for i in range(n_classes)]],
+                multi_class="ovr",
+                average=average_type,
+            )
+
+        # FIXME: metrics are only returned for class "class_num", but calculated for all classes
+        # as returning a list of metrics for each class gives a dataframe with lists as values
+        # which is difficult to explode. Need to find a better way to do this.
+        if average_type is None:
+            metrics = {k: v[class_num] for k, v in metrics.items()}
+
+        # Conditionally include roc_auc_ovo for non-micro averages
+        if average_type != "micro" and average_type is not None and proba:
+            metrics["roc_auc_ovo"] = roc_auc_score(
+                df.Label,
+                df[[f"ProbabilityClass_{i}" for i in range(n_classes)]],
+                multi_class="ovo",
+                average=average_type,
+            )
+
+        return pd.Series(metrics)
+
+    def calculateSingleClassMetrics(self, df):
+        """Calculate metrics for a given dataframe."""
+
+        # check if ProbabilityClass_1 column exists
+        proba = "ProbabilityClass_1" in df.columns
+
+        metrics = {
+            "accuracy": accuracy_score(df.Label, df.Prediction),
+            "precision": precision_score(df.Label, df.Prediction),
+            "recall": recall_score(df.Label, df.Prediction),
+            "f1": f1_score(df.Label, df.Prediction),
+            "matthews_corrcoef": matthews_corrcoef(df.Label, df.Prediction),
+        }
+
+        if proba:
+            metrics["calibration_error"] = calibration_error(
+                df.Label, df.ProbabilityClass_1
+            )
+            metrics["roc_auc"] = roc_auc_score(df.Label, df.ProbabilityClass_1)
+
+        return pd.Series(metrics)
+
+    def getSummary(self):
+        """Get summary statistics for classification results."""
+        if not hasattr(self, "results"):
+            self.prepareClassificationResults()
+
+        df = deepcopy(self.results)
+
+        summary_list = {}
+
+        # make summary for each model and property
+        for model_name in df.Model.unique():
+            for property_name in df.Property.unique():
+                df_subset = df[
+                    (df.Model == model_name) & (df.Property == property_name)
+                ]
+
+                # get the number of classes
+                n_classes = df_subset["Label"].nunique()
+
+                # calculate metrics for binary and multi-class properties
+                if n_classes == 2:
+                    summary_list[f"{model_name}_{property_name}_Binary"] = (
+                        df_subset.groupby(["Model", "Fold", "Property"]).apply(
+                            lambda x: self.calculateSingleClassMetrics(x)
+                        )
+                    ).reset_index()
+                    summary_list[f"{model_name}_{property_name}_Binary"][
+                        "Class"
+                    ] = "Binary"
+                else:
+                    # calculate metrics for each class, average type and non-average type metrics
+                    class_list = [
+                        *["macro", "micro", "weighted", "All"],
+                        *list(range(n_classes)),
+                    ]
+
+                    for class_type in class_list:
+                        summary_list[f"{model_name}_{property_name}_{class_type}"] = (
+                            df_subset.groupby(["Model", "Fold", "Property"]).apply(
+                                lambda x: self.calculateMultiClassMetrics(
+                                    x, class_type, n_classes
+                                )
+                            )
+                        ).reset_index()
+                        summary_list[f"{model_name}_{property_name}_{class_type}"][
+                            "Class"
+                        ] = class_type
+
+        df_summary = pd.concat(summary_list.values(), ignore_index=True)
+
+        df_summary["Set"] = df_summary["Fold"].apply(
+            lambda x: "Independent Test"
+            if x == "Independent Test"
+            else "Cross Validation"
+        )
+        self.summary = df_summary
+        return df_summary
 
 
 class ROCPlot(ClassifierPlot):
     """Plot of ROC-curve (receiver operating characteristic curve)
     for a given classification model.
     """
+
+    def getSupportedTasks(self) -> List[ModelTasks]:
+        """Return a list of tasks supported by this plotter."""
+        return [ModelTasks.SINGLECLASS, ModelTasks.MULTITASK_SINGLECLASS]
+
     def makeCV(self, model: QSPRModel, property_name: str) -> plt.Axes:
         """Make the plot for a given model using cross-validation data.
 
@@ -197,6 +416,11 @@ def make(
 
 class PRCPlot(ClassifierPlot):
     """Plot of Precision-Recall curve for a given model."""
+
+    def getSupportedTasks(self) -> List[ModelTasks]:
+        """Return a list of tasks supported by this plotter."""
+        return [ModelTasks.SINGLECLASS, ModelTasks.MULTITASK_SINGLECLASS]
+
     def makeCV(self, model: QSPRModel, property_name: str) -> plt.Axes:
         """Make the plot for a given model using cross-validation data.
 
@@ -334,6 +558,11 @@ def make(
 
 class CalibrationPlot(ClassifierPlot):
     """Plot of calibration curve for a given model."""
+
+    def getSupportedTasks(self) -> List[ModelTasks]:
+        """Return a list of tasks supported by this plotter."""
+        return [ModelTasks.SINGLECLASS, ModelTasks.MULTITASK_SINGLECLASS]
+
     def makeCV(
         self, model: QSPRModel, property_name: str, n_bins: int = 10
     ) -> plt.Axes:
@@ -478,48 +707,55 @@ def make(
 class MetricsPlot(ClassifierPlot):
     """Plot of metrics for a given model.
 
-    Includes the following metrics by default: f1_score, matthews_corrcoef,
-    precision_score, recall_score, accuracy_score, calibration_error. However, any
-    callable metric can be passed to the constructor.
-
-
     Attributes:
         models (list): A list of QSPRModel objects to plot the data from.
-        metrics (list): A list of metrics to plot.
-        decision (float): The decision threshold to use for the metrics.
+        metrics (list): A list of metrics to plot, choose from:
+            f1, matthews_corrcoef, precision, recall, accuracy, roc_auc, roc_auc_ovr,
+            roc_auc_ovo and calibration_error
     """
+
     def __init__(
         self,
         models: List[QSPRModel],
-        metrics: List[callable] = (
-            f1_score,
-            matthews_corrcoef,
-            precision_score,
-            recall_score,
-            accuracy_score,
-            calibration_error,
-        ),
-        decision_threshold: float = 0.5,
+        metrics: List[
+            Literal[
+                "f1",
+                "matthews_corrcoef",
+                "precision",
+                "recall",
+                "accuracy",
+                "calibration_error",
+                "roc_auc",
+                "roc_auc_ovr",
+                "roc_auc_ovo",
+            ]
+        ] = [
+            "f1",
+            "matthews_corrcoef",
+            "precision",
+            "recall",
+            "accuracy",
+            "calibration_error",
+            "roc_auc",
+            "roc_auc_ovr",
+            "roc_auc_ovo",
+        ],
     ):
         """Initialise the metrics plot.
 
         Args:
             models (list): A list of QSPRModel objects to plot the data from.
             metrics (list): A list of metrics to plot.
-            decision_threshold (float): The decision threshold to use for the metrics.
         """
         super().__init__(models)
         self.metrics = metrics
-        self.decision = decision_threshold
 
     def make(
         self,
         save: bool = True,
         show: bool = False,
-        property_name: str | None = None,
-        filename_prefix: str = "metrics",
-        out_dir: str = ".",
-    ) -> [list[tuple[Any, Any]], pd.DataFrame]:
+        out_path: str | None = None,
+    ) -> tuple[List[sns.FacetGrid], pd.DataFrame]:
         """Make the plot for a given validation type.
 
         Args:
@@ -530,104 +766,153 @@ def make(
                 Whether to save the plot to a file.
             show (bool):
                 Whether to display the plot.
-            filename_prefix (str):
-                The prefix to use for the filename.
-            out_dir (str):
-                The directory to save the plot to.
+            out_path (str | None):
+                Path to save the plots to, e.g. "results/plot.png", the plot will be
+                saved to this path with the metric name appended before the extension,
+                e.g. "results/plot_roc_auc.png". If `None`, the plots will be saved to
+                each model's output directory.
 
         Returns:
-            axes (list[plt.Axes]):
-                A list of tuple of figures and matplotlib axes objects with the plots.
-            df (pd.DataFrame):
+            figures (list[sns.FacetGrid]):
+                the seaborn FacetGrid objects used to make the plot
+            pd.DataFrame:
                 A dataframe containing the summary data generated.
         """
-        summary = {"Metric": [], "Model": [], "TestSet": [], "Value": []}
-        if property_name is None:
-            property_name = self.models[0].targetProperties[0].name
-        # create the summary data
-        for model in self.models:
-            df = pd.read_table(self.cvPaths[model])
-            # cross-validation
-            for fold in df.Fold.unique():
-                y_pred = df[f"{property_name}_ProbabilityClass_1"][df.Fold == fold]
-                y_pred_values = [1 if x > self.decision else 0 for x in y_pred]
-                y_true = df[f"{property_name}_Label"][df.Fold == fold]
-                for metric in self.metrics:
-                    val = metric(y_true, y_pred_values)
-                    summary["Metric"].append(metric.__name__)
-                    summary["Model"].append(self.modelNames[model])
-                    summary["TestSet"].append(f"CV{fold + 1}")
-                    summary["Value"].append(val)
-            # independent test set
-            df = pd.read_table(self.indPaths[model])
-            y_pred = df[f"{property_name}_ProbabilityClass_1"]
-            th = 0.5
-            y_pred_values = [1 if x > th else 0 for x in y_pred]
-            y_true = df[f"{property_name}_Label"]
-            for metric in self.metrics:
-                val = metric(y_true, y_pred_values)
-                summary["Metric"].append(metric.__name__)
-                summary["Model"].append(self.modelNames[model])
-                summary["TestSet"].append("IND")
-                summary["Value"].append(val)
-        # create the summary dataframe and save it to a file if required
-        df_summary = pd.DataFrame(summary)
-        if save:
-            df_summary.to_csv(
-                os.path.join(out_dir, f"{filename_prefix}_summary.tsv"),
-                sep="\t",
-                index=False,
-                header=True,
-            )
-        # create the plots for each metric
+        # Get summary with calculated metrics
+        if not hasattr(self, "summary"):
+            self.getSummary()
+
         figures = []
-        for metric in df_summary.Metric.unique():
-            # get the data for the metric
-            df_metric = df_summary[df_summary.Metric == metric]
-            cv_avg = (
-                df_metric[df_metric.TestSet != "IND"][[
-                    "Model", "Value"
-                ]].groupby("Model").aggregate(np.mean)
-            )
-            cv_std = (
-                df_metric[df_metric.TestSet != "IND"][[
-                    "Model", "Value"
-                ]].groupby("Model").aggregate(np.std)
-            )
-            ind_vals = (
-                df_metric[df_metric.TestSet == "IND"][[
-                    "Model", "Value"
-                ]].groupby("Model").aggregate(np.sum)
+        for metric in self.metrics:
+            # check if metric in summary dataframe
+            if metric not in self.summary.columns:
+                print(f"Metric {metric} not in summary dataframe, skipping")
+                continue
+
+            # plot the results
+            g = sns.catplot(
+                self.summary,
+                x="Class",
+                y=metric,
+                hue="Set",
+                col="Property",
+                row="Model",
+                kind="bar",
+                margin_titles=True,
+                sharex=False,
+                sharey=False,
             )
-            # plot the data
-            models = cv_avg.index
-            x = np.arange(len(models))  # the label locations
-            width = 0.35  # the width of the bars
-            fig, ax = plt.subplots(figsize=(7, 10))
-            ax.bar(
-                x - width / 2,
-                cv_avg.Value,
-                width,
-                label="CV",
-                yerr=cv_std.Value,
-                ecolor="black",
-                capsize=5,
-            )
-            ax.bar(x + width / 2, ind_vals.Value, width, label="Test")
-            # Add some text for labels, title and custom x-axis tick labels, etc.
-            ax.set_ylabel(metric)
-            ax.set_title(f"{metric} by Model and Test Set")
-            ax.set_xticks(x, models)
-            ax.legend()
-            fig.tight_layout()
-            plt.xticks(rotation=75)
-            plt.ylim([0, 1.3])
-            plt.subplots_adjust(bottom=0.4)
-            plt.axhline(y=1.0, color="grey", linestyle="-", alpha=0.3)
+            # set y range max to 1 for each plot, but don't set min to 0 as some metrics can be negative
+            for ax in g.axes_dict.values():
+                y_min, y_max = ax.get_ylim()
+                ax.set_ylim(y_min, 1)
+            figures.append(g)
             if save:
-                plt.savefig(os.path.join(out_dir, f"{filename_prefix}_{metric}.png"))
+                # add metric to out_path if it exists before the extension
+                if out_path is not None:
+                    plt.savefig(
+                        os.path.splitext(out_path)[0] + f"_{metric}.png", dpi=300
+                    )
+                else:
+                    for model in self.models:
+                        plt.savefig(f"{model.outPrefix}_{metric}.png", dpi=300)
             if show:
                 plt.show()
                 plt.clf()
-            figures.append((fig, ax))
-        return figures, df_summary
+        return figures, self.summary
+
+
+class ConfusionMatrixPlot(ClassifierPlot):
+    """Plot of confusion matrix for a given model as a heatmap."""
+
+    def getConfusionMatrixDict(self, df: pd.DataFrame) -> dict:
+        """Create dictionary of confusion matrices for each model, property and fold
+
+        Args:
+            df (pd.DataFrame):
+                the dataframe containing the classficiation results,
+                columns: Model, QSPRID, Fold, Property, Label, Prediction, Set
+
+        Returns:
+            dict:
+                dictionary of confusion matrices for each model, property and fold
+        """
+        conf_dict = {}
+        for model in df.Model.unique():
+            for property in df.Property.unique():
+                for fold in df.Fold.unique():
+                    df_subset = df[
+                        (df.Model == model)
+                        & (df.Property == property)
+                        & (df.Fold == fold)
+                    ]
+                    conf_dict[(model, property, fold)] = confusion_matrix(
+                        df_subset.Label, df_subset.Prediction
+                    )
+        return conf_dict
+
+    def make(
+        self,
+        save: bool = True,
+        show: bool = False,
+        out_path: str | None = None,
+    ) -> tuple[dict, plt.Axes]:
+        """Make confusion matrix heatmap for each model, property and fold
+
+        Args:
+            save (bool):
+                whether to save the plot
+            show (bool):
+                whether to show the plot
+            out_path (str | None):
+                path to save the plot to, e.g. "results/plot.png", the plots will be
+                saved to this path with the plot identifier appended before the extension,
+                If `None`, the plots will be saved to each model's output directory.
+
+        Returns:
+            dict:
+                dictionary of confusion matrices for each model, property and fold
+            list[plt.axes.Axes]:
+                a list of matplotlib axes objects containing the plots.
+        """
+        df = self.prepareClassificationResults()
+
+        # Get dictionary of confusion matrices
+        conf_dict = self.getConfusionMatrixDict(df)
+
+        # Create heatmap for each model, property and fold
+        axes = []
+        for model in df.Model.unique():
+            for property in df.Property.unique():
+                for fold in df.Fold.unique():
+                    fig, ax = plt.subplots()
+                    sns.heatmap(
+                        conf_dict[(model, property, fold)],
+                        annot=True,
+                        fmt="g",
+                        cmap="Blues",
+                    )
+                    ax.set_title(f"Confusion Matrix ({model}_{property}_fold_{fold})")
+                    ax.set_xlabel("Predicted label")
+                    ax.set_ylabel("True label")
+                    axes.append(fig)
+                    if save:
+                        if out_path is not None:
+                            # add identifier to out_path before the extension
+                            plt.savefig(
+                                os.path.splitext(out_path)[0]
+                                + f"_{model}_{property}_{fold}_confusion_matrix.png",
+                                dpi=300,
+                            )
+                        else:
+                            # reverse self.modelNames dictionary to get model out
+                            modelNames = {v: k for k, v in self.modelNames.items()}
+                            plt.savefig(
+                                f"{self.modelOuts[modelNames[model]]}_{property}_{fold}_confusion_matrix.png",
+                                dpi=300,
+                            )
+                    if show:
+                        plt.show()
+                        plt.clf()
+                    plt.close()
+        return axes, conf_dict
diff --git a/qsprpred/plotting/grid_visualizers.py b/qsprpred/plotting/grid_visualizers.py
new file mode 100644
index 00000000..39a67223
--- /dev/null
+++ b/qsprpred/plotting/grid_visualizers.py
@@ -0,0 +1,48 @@
+from typing import Callable
+
+from rdkit import Chem
+from rdkit.Chem import AllChem, Draw
+
+from qsprpred.data.tables.base import MoleculeDataTable
+
+standard_grid = Draw.MolsToGridImage
+
+
+def interactive_grid(mols, *args, molsPerRow=5, **kwargs):
+    """
+    install mols2grid with pip to use
+    """
+
+    import mols2grid
+
+    return mols2grid.display(mols, *args, n_cols=molsPerRow, **kwargs)
+
+
+def smiles_to_grid(
+    smiles, *args, mols_per_row=5, impl: Callable = standard_grid, **kwargs
+):
+    mols = []
+    for smile in smiles:
+        try:
+            m = Chem.MolFromSmiles(smile)
+            if m:
+                AllChem.Compute2DCoords(m)
+                mols.append(m)
+            else:
+                raise Exception(f"Molecule empty for SMILES: {smile}")
+        except Exception as exp:
+            pass
+
+    return impl(mols, *args, molsPerRow=mols_per_row, **kwargs)
+
+
+def table_to_grid(
+    table: MoleculeDataTable,
+    mols_per_row: int = 5,
+    impl: Callable = standard_grid,
+    *args,
+    **kwargs,
+):
+    return smiles_to_grid(
+        table.smiles, *args, mols_per_row=mols_per_row, impl=impl, **kwargs
+    )
diff --git a/qsprpred/plotting/regression.py b/qsprpred/plotting/regression.py
index 713b70d5..40741514 100644
--- a/qsprpred/plotting/regression.py
+++ b/qsprpred/plotting/regression.py
@@ -1,137 +1,379 @@
 """Module for plotting regression models."""
-import math
 from abc import ABC
+from copy import deepcopy
+from typing import List
 
 import numpy as np
 import pandas as pd
+import seaborn as sns
 from matplotlib import pyplot as plt
 from sklearn import metrics
 
-from ..models.tasks import ModelTasks
-from ..plotting.interfaces import ModelPlot
+from ..data import QSPRDataset
+from ..models import QSPRModel
+from ..plotting.base_plot import ModelPlot
+from ..tasks import ModelTasks
 
 
 class RegressionPlot(ModelPlot, ABC):
     """Base class for all regression plots."""
+
     def getSupportedTasks(self) -> list[ModelTasks]:
         """Return a list of supported model tasks."""
-        return [ModelTasks.REGRESSION]
+        return [ModelTasks.REGRESSION, ModelTasks.MULTITASK_REGRESSION]
+
+    def prepareAssessment(self, assessment_df: pd.DataFrame) -> pd.DataFrame:
+        """Prepare assessment dataframe for plotting
+
+        Args:
+            assessment_df (pd.DataFrame):
+                the assessment dataframe containing the experimental and predicted
+                values for each property. The dataframe should have the following
+                columns:
+                QSPRID, Fold (opt.), <property_name>_<suffixes>_<Label/Prediction>
+
+        Returns:
+            pd.DataFrame:
+                The dataframe containing the assessment results,
+                columns: QSPRID, Fold, Property, Label, Prediction, Set
+        """
+        # change all property columns into one column
+        id_vars = ["QSPRID", "Fold"] if "Fold" in assessment_df.columns else ["QSPRID"]
+        df = assessment_df.melt(id_vars=id_vars)
+        # split the variable (<property_name>_<suffixes>_<Label/Prediction>) column
+        # into the property name and the type (Label or Prediction)
+        df[["Property", "type"]] = df["variable"].str.rsplit("_", n=1, expand=True)
+        df.drop("variable", axis=1, inplace=True)
+        # pivot the dataframe so that Label and Prediction are separate columns
+        df = df.pivot_table(
+            index=[*id_vars, "Property"], columns="type", values="value"
+        )
+        df.reset_index(inplace=True)
+        df.columns.name = None
+        # Add Fold column if it doesn't exist (for independent test set)
+        if "Fold" not in df.columns:
+            df["Fold"] = "Independent Test"
+            df["Set"] = "Independent Test"
+        else:
+            df["Set"] = "Cross Validation"
+        return df
+
+    def prepareRegressionResults(
+        self,
+    ) -> pd.DataFrame:
+        """Prepare regression results dataframe for plotting.
+
+        Returns:
+            pd.DataFrame:
+                the dataframe containing the regression results,
+                columns: Model, QSPRID, Fold, Property, Label, Prediction, Set
+        """
+        model_results = {}
+        for m, model in enumerate(self.models):
+            # Read in and prepare the cross-validation and independent test set results
+            df_cv = self.prepareAssessment(pd.read_table(self.cvPaths[model]))
+            df_ind = self.prepareAssessment(pd.read_table(self.indPaths[model]))
+            # concatenate the cross-validation and independent test set results
+            df = pd.concat([df_cv, df_ind])
+            print(model.name)
+            model_results[model.name] = df
+        # concatenate the results from all models and add the model name as a column
+        df = (
+            pd.concat(
+                model_results.values(), keys=model_results.keys(), names=["Model"]
+            )
+            .reset_index(level=1, drop=True)
+            .reset_index()
+        )
+
+        self.results = df
+        return df
+
+    def getSummary(self):
+        """calculate the R2 and RMSE for each model per set (cross-validation or independent test)"""
+        if not hasattr(self, "results"):
+            self.prepareRegressionResults()
+        df = deepcopy(self.results)
+        df_summary = (
+            df.groupby(["Model", "Fold", "Property"])
+            .apply(
+                lambda x: pd.Series(
+                    {
+                        "R2": metrics.r2_score(x["Label"], x["Prediction"]),
+                        "RMSE": metrics.root_mean_squared_error(
+                            x["Label"], x["Prediction"]
+                        ),
+                    }
+                )
+            )
+            .reset_index()
+        )
+        df_summary["Set"] = df_summary["Fold"].apply(
+            lambda x: "Independent Test"
+            if x == "Independent Test"
+            else "Cross Validation"
+        )
+        self.summary = df_summary
+        return df_summary
 
 
 class CorrelationPlot(RegressionPlot):
-    """Class to plot the results of regression models. Plot predicted pX vs real pX."""
+    """Class to plot the results of regression models. Plot predicted pX_train vs real pX_train."""
+
     def make(
         self,
         save: bool = True,
         show: bool = False,
-        property_name: str | None = None,
-        out_dir: str = ".",
-        filename_prefix: str = "corrplot",
-        n_cols: int = 1,
-    ) -> [list[plt.Axes], pd.DataFrame]:
-        """Plot the results of regression models. Plot predicted pX vs real pX.
+        out_path: str | None = None,
+    ) -> tuple[sns.FacetGrid, pd.DataFrame]:
+        """Plot the results of regression models. Plot predicted pX_train vs real pX_train.
 
         Args:
-            property_name (str):
-                the name of the property to plot. If `None`, the first property in the
-                targetProperties list of the model will be used.
             save (bool):
                 whether to save the plot
             show (bool):
                 whether to show the plot
-            out_dir (str):
-                the directory to save the plot
-            filename_prefix (str):
-                the prefix of the filename
-            n_cols (int):
-                the number of columns in the plot
+            out_path (str | None):
+                path to save the plot to, e.g. "results/plot.png", if `None`, the plot
+                will be saved to each model's output directory.
 
         Returns:
-            list[plt.Axes]:
-                the list of axes objects used to make the plot
+            g (sns.FacetGrid):
+                the seaborn FacetGrid object used to make the plot
             pd.DataFrame:
                 the summary data used to make the plot
         """
-        if property_name is None:
-            property_name = self.models[0].targetProperties[0].name
-        my_cmap = ["#12517B", "#88002A"]
-        ln = len(self.models)
-        n_rows = math.ceil(ln / n_cols)
-        plt.figure(figsize=(5 * n_cols, 5 * n_rows))
-        cate = [self.cvPaths, self.indPaths]
-        cate_names = ["cv", "ind"]
-        ret_axes = []
-        summary = {"ModelName": [], "R2": [], "RMSE": [], "Set": []}
-        for m, model in enumerate(self.models):
-            ax = plt.subplot(n_rows, n_cols, m + 1)
-            ret_axes.append(ax)
-            min_val = np.inf
-            max_val = -np.inf
-            for j, legend in enumerate(["Cross Validation", "Independent Test"]):
-                df = pd.read_table(cate[j][model])
-                plt.scatter(
-                    df[f"{property_name}_Label"],
-                    df[f"{property_name}_Prediction"],
-                    s=5,
-                    label=legend,
-                    color=my_cmap[j],
-                )
-                coef = metrics.r2_score(
-                    df[f"{property_name}_Label"], df[f"{property_name}_Prediction"]
-                )
-                rmse = metrics.mean_squared_error(
-                    df[f"{property_name}_Label"],
-                    df[f"{property_name}_Prediction"],
-                    squared=False,
+        # prepare the dataframe for plotting
+        df = self.prepareRegressionResults()
+
+        if not hasattr(self, "summary"):
+            self.getSummary()
+
+        # plot the results
+        g = sns.FacetGrid(
+            df,
+            col="Property",
+            row="Model",
+            hue="Set",
+            margin_titles=True,
+            height=4,
+            sharex=False,
+            sharey=False,
+        )
+        g.map(sns.scatterplot, "Label", "Prediction", s=7, edgecolor="none")
+        # set x and y range to be the same for each plot
+        for ax in g.axes_dict.values():
+            x_min, x_max = ax.get_xlim()
+            y_min, y_max = ax.get_ylim()
+            ax_min = min(x_min, y_min)
+            ax_max = max(x_max, y_max)
+            pad = (ax_max - ax_min) * 0.1
+            ax.set_xlim(ax_min - pad, ax_max + pad)
+            ax.set_ylim(ax_min - pad, ax_max + pad)
+            ax.set_aspect("equal", "box")
+        for ax in g.axes_dict.values():
+            ax.axline((0, 0), slope=1, c=".2", ls="--")
+
+        g.add_legend()
+
+        # save the plot
+        if save:
+            if out_path is not None:
+                plt.savefig(out_path, dpi=300)
+            else:
+                for model in self.models:
+                    plt.savefig(f"{model.outPrefix}_correlation.png", dpi=300)
+        # show the plot
+        if show:
+            plt.show()
+
+        plt.clf()
+        return g, self.summary
+
+
+class WilliamsPlot(RegressionPlot):
+    """Williams plot; plot of standardized residuals versus leverages"""
+
+    def __init__(self, models: list[QSPRModel], datasets: list[QSPRDataset]):
+        super().__init__(models)
+        self.datasets = datasets
+
+    def make(
+        self,
+        save: bool = True,
+        show: bool = False,
+        out_path: str | None = None,
+    ) -> tuple[sns.FacetGrid, pd.DataFrame, List[float]]:
+        """make Williams plot
+
+        Args:
+            save (bool):
+                whether to save the plot
+            show (bool):
+                whether to show the plot
+            out_path (str | None):
+                path to save the plot to, e.g. "results/plot.png", if `None`, the plot
+                will be saved to each model's output directory.
+
+        Returns:
+            g (sns.FacetGrid):
+                the seaborn FacetGrid object used to make the plot
+            pd.DataFrame:
+                the leverages and standardized residuals for each compound
+            dict[str, float]:
+                the h* values for the datasets
+        """
+
+        def calculateLeverages(
+            features_train: pd.DataFrame, features_test: pd.DataFrame
+        ) -> pd.DataFrame:
+            """Calculate the leverages for each compound in the dataset.
+
+            Args:
+                features_train (pd.DataFrame):
+                    the features for each compound in the training set
+                features_test (pd.DataFrame):
+                    the features for each compound in the test set
+
+            Returns:
+                pd.DataFrame:
+                    the leverages for each compound in the dataset
+                float:
+                    the h* value for the dataset
+            """
+            X_train = features_train.values
+            X_test = features_test.values
+
+            # assert the number of samples is greater than the number of features
+            assert X_train.shape[0] > X_train.shape[1], (
+                f"The number of samples ({X_train.shape[0]}) should be greater than the "
+                f"number of features ({X_train.shape[1]}) for calculating the leverages."
+            )
+
+            # get the diagonal elements of the hat matrix
+            # these are the leverages
+            pinv_XTX = np.linalg.pinv(X_train.T @ X_train)
+            leverages_train = np.diag(X_train @ pinv_XTX @ X_train.T)
+            leverages_train = pd.Series(leverages_train, index=features_train.index)
+
+            leverages_test = np.diag(X_test @ pinv_XTX @ X_test.T)
+            leverages_test = pd.Series(leverages_test, index=features_test.index)
+
+            leverages = pd.concat([leverages_train, leverages_test])
+
+            # h* = (3(p+1)/N) is the cutoff for high leverage points
+            # p is the number of features
+            # N is the number of compounds
+            p = X_train.shape[1]
+            N = X_train.shape[0]
+            h_star = (3 * (p + 1)) / N
+
+            # print waring if h* > 1
+            if h_star > 1:
+                print(
+                    f"Warning: h* = {h_star} is greater than 1, this may indicate that the "
+                    "number of samples is too small for the number of features. "
+                    "Leverage values are between 0 and 1, so h* should be less than 1."
                 )
-                summary["R2"].append(coef)
-                summary["RMSE"].append(rmse)
-                summary["Set"].append(cate_names[j])
-                summary["ModelName"].append(model.name)
-                # plot the line
-                plt.title(model)
-                plt.xlabel(f"Experimental {property_name}")
-                plt.ylabel(f"Predicted {property_name}")
-                min_val_now = math.floor(
-                    min(
-                        pd.concat(
-                            [
-                                df[f"{property_name}_Label"],
-                                df[f"{property_name}_Prediction"],
-                            ]
-                        )
-                    )
+
+            return leverages, h_star
+
+        # prepare the dataframe for plotting
+        df = self.prepareRegressionResults()
+
+        # calculate the leverages and h* for each model
+        model_leverages = {}
+        model_h_star = {}
+        model_p = {}  # number of descriptors
+        for model, dataset in zip(self.models, self.datasets):
+            model_name = model.name
+            if dataset.hasFeatures:
+                features = dataset.getFeatures()
+                leverages, h_star = calculateLeverages(*features)
+                model_leverages[model_name] = leverages
+                model_h_star[model_name] = h_star
+                model_p[model_name] = features[0].shape[1]
+            else:
+                raise ValueError(
+                    f"Dataset {dataset.name} does not have features, to"
+                    " calculate leverages, the dataset should have features."
                 )
-                max_val_now = math.ceil(
-                    max(
-                        pd.concat(
-                            [
-                                df[f"{property_name}_Label"],
-                                df[f"{property_name}_Prediction"],
-                            ]
-                        )
+
+        # Add the levarages to the dataframe
+        df["leverage"] = df.apply(
+            lambda x: model_leverages[x["Model"]][x["QSPRID"]], axis=1
+        )
+        df["n_features"] = df["Model"].apply(lambda x: model_p[x])
+
+        # calculate the residuals
+        df["residual"] = df["Label"] - df["Prediction"]
+
+        # calculate the residuals standard deviation
+        df["n_samples"] = df.groupby(["Model", "Set", "Property"])[
+            "residual"
+        ].transform("count")
+
+        # calculate degrees of freedom
+        df["df"] = df["n_samples"] - df["n_features"] - 1
+
+        RSE = {}
+        # check if the degrees of freedom is greater than 0 for each model, property, and set
+        for (model, set, property), df_ in df.groupby(["Model", "Set", "Property"]):
+            if set == "Cross Validation":
+                if df_["df"].iloc[0] <= 0:
+                    print(f"{model} {set} {property}")
+                    print(df_[["n_samples", "n_features"]].iloc[0])
+                    raise ValueError(
+                        "Degrees of freedom is less than or equal to 0 for some models, "
+                        "properties trainingset. Check the number of samples and features, the "
+                        "number of samples should be greater than the number of features."
                     )
+                RSE[(model, property)] = np.sqrt(
+                    (1 / df_["df"].iloc[0]) * np.sum(df_["residual"] ** 2)
                 )
-                if min_val_now < min_val:
-                    min_val = min_val_now
-                if max_val_now > max_val:
-                    max_val = max_val_now
-                pad = (max_val - min_val) * 0.1
-                plt.plot(
-                    [min_val - pad, max_val + pad],
-                    [min_val - pad, max_val + pad],
-                    lw=2,
-                    linestyle="--",
-                    color="black",
-                )
-        plt.legend(loc="lower right")
-        plt.tight_layout()
-        plt.subplots_adjust(wspace=0.3, hspace=0.5)
+
+        # add the residual standard error to the df
+        df["RSE"] = df.apply(lambda x: RSE[(x["Model"], x["Property"])], axis=1)
+
+        # calculate the standardized residuals
+        df["std_resid"] = df["residual"] / (df["RSE"] * np.sqrt(1 - df["leverage"]))
+
+        # plot the results
+        g = sns.FacetGrid(
+            df,
+            col="Property",
+            row="Model",
+            margin_titles=True,
+            height=4,
+            sharex=False,
+            sharey=False,
+            hue="Set",
+        )
+        g.map(sns.scatterplot, "leverage", "std_resid", s=7, edgecolor="none")
+        # add the h* line to each plot based on the model's h*
+        # and add hlines at +/- 3
+        for k, ax in g.axes_dict.items():
+            ax.axvline(model_h_star[k[0]], c=".2", ls="--")
+            ax.axhline(2, c=".2", ls="--")
+            ax.axhline(-2, c=".2", ls="--")
+
+        # set y axis tile to standardized residuals
+        g.set_ylabels("Studentized Residuals")
+        g.add_legend()
+
+        # save the plot
+        if save:
+            if out_path is not None:
+                plt.savefig(out_path, dpi=300)
+            else:
+                for model in self.models:
+                    plt.savefig(f"{model.outPrefix}_williamsplot.png", dpi=300)
         # show the plot
         if show:
             plt.show()
-            plt.clf()
-        # save the plot
-        if save:
-            plt.savefig(f"{out_dir}/{filename_prefix}.png", dpi=300)
-        return ret_axes, pd.DataFrame(summary)
+        plt.clf()
+        return (
+            g,
+            df[["Model", "Fold", "Property", "leverage", "std_resid", "QSPRID"]],
+            model_h_star,
+        )
diff --git a/qsprpred/plotting/tests.py b/qsprpred/plotting/tests.py
index a4b1a65a..e8eee616 100644
--- a/qsprpred/plotting/tests.py
+++ b/qsprpred/plotting/tests.py
@@ -2,29 +2,30 @@
 
 import os
 from typing import Type
-from unittest import TestCase
 
 import pandas as pd
-from matplotlib.axes import SubplotBase
+import seaborn as sns
 from matplotlib.figure import Figure
+from parameterized import parameterized
 from sklearn.ensemble import RandomForestClassifier, RandomForestRegressor
 
-from ..data.data import QSPRDataset
-from ..models.assessment_methods import CrossValAssessor, TestSetAssessor
-from ..models.sklearn import SklearnModel
-from ..models.tasks import TargetTasks
-from ..models.tests import ModelDataSetsMixIn
-from ..plotting.classification import MetricsPlot, ROCPlot
-from ..plotting.regression import CorrelationPlot
-
-
-class ModelRetriever(ModelDataSetsMixIn):
-    def getModel(
-        self,
-        dataset: QSPRDataset,
-        name: str,
-        alg: Type = RandomForestClassifier
-    ) -> SklearnModel:
+from qsprpred.models.assessment.methods import CrossValAssessor, TestSetAssessor
+from ..data.processing.feature_filters import LowVarianceFilter
+from ..data.tables.qspr import QSPRDataset
+from ..models.scikit_learn import SklearnModel
+from ..plotting.classification import ConfusionMatrixPlot, MetricsPlot, ROCPlot
+from ..plotting.regression import CorrelationPlot, WilliamsPlot
+from ..tasks import TargetTasks
+from ..utils.testing.base import QSPRTestCase
+from ..utils.testing.path_mixins import ModelDataSetsPathMixIn
+
+
+class PlottingTest(ModelDataSetsPathMixIn, QSPRTestCase):
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def getModel(self, name: str, alg: Type = RandomForestClassifier) -> SklearnModel:
         """Get a model for testing.
 
         Args:
@@ -42,85 +43,205 @@ def getModel(
         """
         return SklearnModel(
             name=name,
-            data=dataset,
             base_dir=self.generatedModelsPath,
             alg=alg,
         )
 
 
-class ROCPlotTest(ModelRetriever, TestCase):
+class ROCPlotTest(PlottingTest):
     """Test ROC curve plotting class."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     def testPlotSingle(self):
         """Test plotting ROC curve for single task."""
         dataset = self.createLargeTestDataSet(
             "test_roc_plot_single_data",
-            target_props=[{
-                "name": "CL",
-                "task": TargetTasks.SINGLECLASS,
-                "th": [50]
-            }],
+            target_props=[{"name": "CL", "task": TargetTasks.SINGLECLASS, "th": [6.5]}],
             preparation_settings=self.getDefaultPrep(),
         )
-        model = self.getModel(dataset, "test_roc_plot_single_model")
-        CrossValAssessor()(model)
-        TestSetAssessor()(model)
+        model = self.getModel("test_roc_plot_single_model")
+        score_func = "roc_auc_ovr"
+        CrossValAssessor(scoring=score_func)(model, dataset)
+        TestSetAssessor(scoring=score_func)(model, dataset)
         model.save()
         # make plots
         plt = ROCPlot([model])
         # cross validation plot
-        ax = plt.make("CL_class", validation="cv")[0]
+        ax = plt.make(validation="cv")[0]
         self.assertIsInstance(ax, Figure)
         self.assertTrue(os.path.exists(f"{model.outPrefix}.cv.png"))
         # independent test set plot
-        ax = plt.make("CL_class", validation="ind")[0]
+        ax = plt.make(validation="ind")[0]
         self.assertIsInstance(ax, Figure)
         self.assertTrue(os.path.exists(f"{model.outPrefix}.ind.png"))
 
 
-class MetricsPlotTest(ModelRetriever, TestCase):
+class MetricsPlotTest(PlottingTest):
     """Test metrics plotting class."""
-    def testPlotSingle(self):
-        """Test plotting metrics for single task."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand(
+        [
+            (task, task, th)
+            for task, th in (
+                ("binary", [6.5]),
+                ("multi_class", [0, 2, 10, 1100]),
+            )
+        ]
+    )
+    def testPlotSingle(self, _, task, th):
+        """Test plotting metrics for single task single class and multi-class."""
         dataset = self.createLargeTestDataSet(
-            "test_metrics_plot_single_data",
-            target_props=[{
-                "name": "CL",
-                "task": TargetTasks.SINGLECLASS,
-                "th": [50]
-            }],
+            f"test_metrics_plot_single_{task}_data",
+            target_props=[
+                {
+                    "name": "CL",
+                    "task": TargetTasks.SINGLECLASS
+                    if task == "binary"
+                    else TargetTasks.MULTICLASS,
+                    "th": th,
+                }
+            ],
             preparation_settings=self.getDefaultPrep(),
         )
-        model = self.getModel(dataset, "test_metrics_plot_single_model")
-        CrossValAssessor()(model)
-        TestSetAssessor()(model)
+        model = self.getModel(f"test_metrics_plot_single_{task}_model")
+        score_func = "roc_auc_ovr"
+        CrossValAssessor(scoring=score_func)(model, dataset)
+        TestSetAssessor(scoring=score_func)(model, dataset)
         model.save()
         # generate metrics plot and associated files
         plt = MetricsPlot([model])
-        figures, summary = plt.make("CL_class", out_dir=model.outDir)
-        for fig, ax in figures:
-            self.assertIsInstance(fig, Figure)
+        figures, summary = plt.make()
+        for g in figures:
+            self.assertIsInstance(g, sns.FacetGrid)
         self.assertIsInstance(summary, pd.DataFrame)
-        self.assertTrue(os.path.exists(f"{model.outDir}/metrics_summary.tsv"))
-        self.assertTrue(os.path.exists(f"{model.outDir}/metrics_f1_score.png"))
+        self.assertTrue(os.path.exists(f"{model.outPrefix}_precision.png"))
 
 
-class CorrPlotTest(ModelRetriever, TestCase):
+class CorrPlotTest(PlottingTest):
     """Test correlation plotting class."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
     def testPlotSingle(self):
         """Test plotting correlation for single task."""
         dataset = self.createLargeTestDataSet(
             "test_corr_plot_single_data", preparation_settings=self.getDefaultPrep()
         )
-        model = self.getModel(
-            dataset, "test_corr_plot_single_model", alg=RandomForestRegressor
-        )
-        CrossValAssessor()(model)
-        TestSetAssessor()(model)
+        model = self.getModel("test_corr_plot_single_model", alg=RandomForestRegressor)
+        score_func = "r2"
+        CrossValAssessor(scoring=score_func)(model, dataset)
+        TestSetAssessor(scoring=score_func)(model, dataset)
         model.save()
         # generate metrics plot and associated files
         plt = CorrelationPlot([model])
-        axes, summary = plt.make("CL", out_dir=model.outDir)
+        g, summary = plt.make("CL")
         self.assertIsInstance(summary, pd.DataFrame)
+        # assert g is sns.FacetGrid
+        self.assertIsInstance(g, sns.FacetGrid)
+        self.assertTrue(os.path.exists(f"{model.outPrefix}_correlation.png"))
+
+
+class WilliamsPlotTest(PlottingTest):
+    """Test plotting Williams plot for single task."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    def testPlotSingle(self):
+        """Test plotting Williams plot for single task."""
+        dataset = self.createLargeTestDataSet(
+            "test_williams_plot_single_data", preparation_settings=self.getDefaultPrep()
+        )
+        # filter features to below the number of samples in the test set
+        # to avoid error in WilliamsPlot
+        dataset.filterFeatures([LowVarianceFilter(0.23)])
+        model = self.getModel(
+            "test_williams_plot_single_model", alg=RandomForestRegressor
+        )
+        score_func = "r2"
+        CrossValAssessor(scoring=score_func)(model, dataset)
+        TestSetAssessor(scoring=score_func)(model, dataset)
+        model.save()
+        # generate metrics plot and associated files
+        plt = WilliamsPlot([model], [dataset])
+        g, leverages, hstar = plt.make()
+        self.assertIsInstance(leverages, pd.DataFrame)
+        self.assertIsInstance(hstar, dict)
+        # assert g is sns.FacetGrid
+        self.assertIsInstance(g, sns.FacetGrid)
+        self.assertTrue(os.path.exists(f"{model.outPrefix}_williamsplot.png"))
+
+
+class ConfusionMatrixPlotTest(PlottingTest):
+    """Test confusion matrix plotting class."""
+
+    def setUp(self):
+        super().setUp()
+        self.setUpPaths()
+
+    @parameterized.expand(
+        [
+            (task, task, th)
+            for task, th in (
+                ("binary", [6.5]),
+                ("multi_class", [0, 2, 10, 1100]),
+            )
+        ]
+    )
+    def testPlotSingle(self, _, task, th):
+        """Test plotting confusion matrix for single task."""
+        dataset = self.createLargeTestDataSet(
+            f"test_cm_plot_single_{task}_data",
+            target_props=[
+                {
+                    "name": "CL",
+                    "task": TargetTasks.SINGLECLASS
+                    if task == "binary"
+                    else TargetTasks.MULTICLASS,
+                    "th": th,
+                }
+            ],
+            preparation_settings=self.getDefaultPrep(),
+        )
+        model = self.getModel(f"test_cm_plot_single_{task}_model")
+        score_func = "roc_auc_ovr"
+        CrossValAssessor(scoring=score_func)(model, dataset)
+        TestSetAssessor(scoring=score_func)(model, dataset)
+        model.save()
+        # make plots
+        plt = ConfusionMatrixPlot([model])
+        axes, cm_dict = plt.make()
+        # assert all figures are sns.FacetGrid
         for ax in axes:
-            self.assertIsInstance(ax, SubplotBase)
-        self.assertTrue(os.path.exists(f"{model.outDir}/corrplot.png"))
+            self.assertIsInstance(ax, Figure)
+        self.assertIsInstance(cm_dict, dict)
+        self.assertTrue(
+            os.path.exists(f"{model.outPrefix}_CL_0.0_confusion_matrix.png")
+        )
+        self.assertTrue(
+            os.path.exists(f"{model.outPrefix}_CL_1.0_confusion_matrix.png")
+        )
+        self.assertTrue(
+            os.path.exists(f"{model.outPrefix}_CL_2.0_confusion_matrix.png")
+        )
+        self.assertTrue(
+            os.path.exists(f"{model.outPrefix}_CL_3.0_confusion_matrix.png")
+        )
+        self.assertTrue(
+            os.path.exists(f"{model.outPrefix}_CL_4.0_confusion_matrix.png")
+        )
+        self.assertTrue(
+            os.path.exists(
+                f"{model.outPrefix}_CL_Independent Test_confusion_matrix.png"
+            )
+        )
diff --git a/qsprpred/predict_CLI.py b/qsprpred/predict_CLI.py
index f7671f82..2a6d480f 100644
--- a/qsprpred/predict_CLI.py
+++ b/qsprpred/predict_CLI.py
@@ -4,16 +4,14 @@
 import json
 import os
 import os.path
-import random
 import sys
-from importlib.util import find_spec
 
 import numpy as np
 import optuna
 import pandas as pd
 
 from .logs.utils import backup_files, enable_file_logger
-from .models.interfaces import QSPRModel
+from .models.models import QSPRModel
 
 
 def QSPRArgParser(txt=None):
@@ -149,15 +147,6 @@ def QSPR_predict(args):
 if __name__ == "__main__":
     args = QSPRArgParser()
 
-    # Set random seeds
-    random.seed(args.random_state)
-    np.random.seed(args.random_state)
-    if find_spec("torch") is not None:
-        import torch
-
-        torch.manual_seed(args.random_state)
-    os.environ["TF_DETERMINISTIC_OPS"] = str(args.random_state)
-
     # Backup files
     if not args.skip_backup:
         backup_msg = backup_files(
diff --git a/qsprpred/tasks.py b/qsprpred/tasks.py
new file mode 100644
index 00000000..999ad836
--- /dev/null
+++ b/qsprpred/tasks.py
@@ -0,0 +1,324 @@
+from enum import Enum
+from typing import Literal, Optional, Callable
+
+from qsprpred.utils.serialization import (
+    JSONSerializable,
+    function_as_string,
+    function_from_string,
+)
+
+
+class TargetTasks(Enum):
+    """Enum representing the type of task the model
+    is supposed to perform for a single target property.
+    """
+
+    REGRESSION = "REGRESSION"
+    SINGLECLASS = "SINGLECLASS"
+    MULTICLASS = "MULTICLASS"
+
+    def isClassification(self):
+        """Check if the task is a classification task."""
+        return self in [self.SINGLECLASS, self.MULTICLASS]
+
+    def isRegression(self):
+        """Check if the task is a regression task."""
+        return self in [self.REGRESSION]
+
+    def __str__(self):
+        """Return the name of the task."""
+        return self.name
+
+
+class ModelTasks(Enum):
+    """Enum representing the general type of task the
+    model is supposed to perform for all target properties.
+    """
+
+    REGRESSION = "REGRESSION"
+    SINGLECLASS = "SINGLECLASS"
+    MULTICLASS = "MULTICLASS"
+    MULTITASK_REGRESSION = "MULTITASK_REGRESSION"
+    MULTITASK_SINGLECLASS = "MULTITASK_SINGLECLASS"
+    MULTITASK_MULTICLASS = "MULTITASK_MULTICLASS"
+    MULTITASK_MIXED = "MULTITASK_MIXED"
+
+    def isClassification(self):
+        """Check if the task is a classification task."""
+        return self in [
+            self.SINGLECLASS,
+            self.MULTICLASS,
+            self.MULTITASK_SINGLECLASS,
+            self.MULTITASK_MULTICLASS,
+        ]
+
+    def isRegression(self):
+        """Check if the task is a regression task."""
+        return self in [self.REGRESSION, self.MULTITASK_REGRESSION]
+
+    def isMixed(self):
+        """Check if the task is a mixed task."""
+        return self in [self.MULTITASK_MIXED]
+
+    def isMultiTask(self):
+        """Check if the task is a multitask task."""
+        return self in [
+            self.MULTITASK_REGRESSION,
+            self.MULTITASK_SINGLECLASS,
+            self.MULTITASK_MULTICLASS,
+            self.MULTITASK_MIXED,
+        ]
+
+    def __str__(self):
+        """Return the name of the task."""
+        return self.name
+
+    @staticmethod
+    def getModelTask(target_properties: list):
+        """Return the model type for a given list of target properties."""
+        if len(target_properties) == 1:
+            return ModelTasks[target_properties[0].task.name]
+        elif all(
+            target_property.task.isRegression() for target_property in target_properties
+        ):
+            return ModelTasks.MULTITASK_REGRESSION
+        elif all(
+            target_property.task.isClassification()
+            for target_property in target_properties
+        ):
+            if all(
+                target_property.task == TargetTasks.SINGLECLASS
+                for target_property in target_properties
+            ):
+                return ModelTasks.MULTITASK_SINGLECLASS
+            else:
+                return ModelTasks.MULTITASK_MULTICLASS
+        else:
+            return ModelTasks.MULTITASK_MIXED
+
+
+class TargetProperty(JSONSerializable):
+    """Target property for QSPRmodelling class.
+
+    Attributes:
+        name (str): name of the target property
+        task (Literal[TargetTasks.REGRESSION,
+              TargetTasks.SINGLECLASS,
+              TargetTasks.MULTICLASS]): task type for the target property
+        th (int): threshold for the target property, only used for classification tasks
+        nClasses (int): number of classes for the target property, only used for
+            classification tasks
+        transformer (Callable): function to transform the target property
+        imputer (Callable): function to impute the target property
+    """
+
+    _notJSON = ["transformer", *JSONSerializable._notJSON]
+
+    def __init__(
+        self,
+        name: str,
+        task: Literal[
+            TargetTasks.REGRESSION, TargetTasks.SINGLECLASS, TargetTasks.MULTICLASS
+        ],
+        th: Optional[list[float] | str] = None,
+        n_classes: Optional[int] = None,
+        transformer: Optional[Callable] = None,
+        imputer: Optional[Callable] = None,
+    ):
+        """Initialize a TargetProperty object.
+
+        Args:
+            name (str): name of the target property
+            task (Literal[TargetTasks.REGRESSION,
+              TargetTasks.SINGLECLASS,
+              TargetTasks.MULTICLASS]): task type for the target property
+            th (list[float] | str): threshold for the target property, only used
+                for classification tasks. If th is precomputed, set it to "precomputed".
+                If th is precomputed, n_classes must be specified.
+            n_classes (int): number of classes for the target property. Must be
+                specified if th is precomputed, otherwise it is inferred from th.
+            transformer (Callable): function to transform the target property
+            imputer (Callable): function to impute the target property
+        """
+        self.name = name
+        self.task = task
+        if task.isClassification():
+            assert (
+                th is not None
+            ), (f"Threshold not specified for classification task `{name}`. "
+                "If the task is already precomputed, set `th` to `precomputed`, and "
+                "define the correct number of classes with `n_classes."
+                )
+            self.th = th
+            if isinstance(th, str) and th == "precomputed":
+                self.nClasses = n_classes
+        self.transformer = transformer
+        self.imputer = imputer
+
+    def __getstate__(self):
+        o_dict = super().__getstate__()
+        o_dict["transformer"] = function_as_string(self.transformer) if self.transformer else None
+        return o_dict
+
+    def __setstate__(self, state):
+        super().__setstate__(state)
+        if state["transformer"] is not None:
+            self.transformer = function_from_string(self.transformer)
+
+    @property
+    def th(self):
+        """Set the threshold for the target property.
+
+        Returns:
+            th ([list[int] | str]): threshold for the target property
+        """
+        return self._th
+
+    @th.setter
+    def th(self, th: list[float] | str):
+        """Set the threshold for the target property and the number of classes if th is
+        not precomputed.
+
+        Args:
+            th (list[float] | str): threshold for the target property
+        """
+        assert (
+            self.task.isClassification()
+        ), "Threshold can only be set for classification tasks"
+        self._th = th
+        if isinstance(th, str):
+            assert th == "precomputed", f"Invalid threshold {th}"
+        else:
+            self._nClasses = len(self.th) - 1 if len(self.th) > 1 else 2
+
+    @th.deleter
+    def th(self):
+        """Delete the threshold for the target property and the number of classes."""
+        del self._th
+        del self._nClasses
+
+    @property
+    def nClasses(self):
+        """Get the number of classes for the target property.
+
+        Returns:
+            nClasses (int): number of classes
+        """
+        return self._nClasses
+
+    @nClasses.setter
+    def nClasses(self, nClasses: int):
+        """Set the number of classes for the target property if th is precomputed.
+
+        Args:
+            nClasses (int): number of classes
+        """
+        assert (
+            self.th == "precomputed"
+        ), "Number of classes can only be set if threshold is precomputed"
+        self._nClasses = nClasses
+
+    def __repr__(self):
+        """Representation of the TargetProperty object."""
+        if self.task.isClassification() and self.th is not None:
+            return f"TargetProperty(name={self.name}, task={self.task}, th={self.th})"
+        else:
+            return f"TargetProperty(name={self.name}, task={self.task})"
+
+    def __str__(self):
+        """Return string identifier of the TargetProperty object."""
+        return self.name
+
+    @classmethod
+    def fromDict(cls, d: dict):
+        """Create a TargetProperty object from a dictionary.
+
+        task can be specified as a string or as a TargetTasks object.
+
+        Args:
+            d (dict): dictionary containing the target property information
+
+        Example:
+            >>> TargetProperty.fromDict({"name": "property_name", "task": "regression"})
+            TargetProperty(name=property_name, task=REGRESSION)
+
+        Returns:
+            TargetProperty: TargetProperty object
+        """
+        if isinstance(d["task"], str):
+            return TargetProperty(
+                **{
+                    k: TargetTasks[v.upper()] if k == "task" else v
+                    for k, v in d.items()
+                }
+            )
+        else:
+            return TargetProperty(**d)
+
+    @classmethod
+    def fromList(cls, _list: list[dict]):
+        """Create a list of TargetProperty objects from a list of dictionaries.
+
+        Args:
+            _list (list): list of dictionaries containing the target property
+                information
+
+        Returns:
+            list[TargetProperty]: list of TargetProperty objects
+        """
+        return [cls.fromDict(d) for d in _list]
+
+    @staticmethod
+    def toList(_list: list, task_as_str: bool = False, drop_transformer: bool = True):
+        """Convert a list of TargetProperty objects to a list of dictionaries.
+
+        Args:
+            _list (list): list of TargetProperty objects
+            task_as_str (bool): whether to convert the task to a string
+
+        Returns:
+            list[dict]: list of dictionaries containing the target property information
+        """
+        target_props = []
+        for target_prop in _list:
+            target_props.append(
+                {
+                    "name": target_prop.name,
+                    "task": target_prop.task.name if task_as_str else target_prop.task,
+                }
+            )
+            if target_prop.task.isClassification():
+                target_props[-1].update(
+                    {"th": target_prop.th, "n_classes": target_prop.nClasses}
+                )
+            if not drop_transformer:
+                target_props[-1].update({"transformer": target_prop.transformer})
+        return target_props
+
+    @staticmethod
+    def selectFromList(_list: list, names: list):
+        """Select a subset of TargetProperty objects from a list of TargetProperty
+        objects.
+
+        Args:
+            _list (list): list of TargetProperty objects
+            names (list): list of names of the target properties to be selected
+            original_names (bool): whether to use the original names of the target
+                properties
+
+        Returns:
+            list[TargetProperty]: list of TargetProperty objects
+        """
+        return [t for t in _list if t.name in names]
+
+    @staticmethod
+    def getNames(_list: list):
+        """Get the names of the target properties from a list of TargetProperty objects.
+
+        Args:
+            _list (list): list of TargetProperty objects
+
+        Returns:
+            list[str]: list of names of the target properties
+        """
+        return [t.name for t in _list]
diff --git a/qsprpred/utils/inspect.py b/qsprpred/utils/inspect.py
index 3303a93d..44040065 100644
--- a/qsprpred/utils/inspect.py
+++ b/qsprpred/utils/inspect.py
@@ -1,9 +1,12 @@
 import importlib
 
 
-def import_class(class_path):
-    """Import a class from a string path."""
-    class_name = class_path.split(".")[-1]
-    module_name = class_path.replace(f".{class_name}", "")
+def dynamic_import(object_path: str):
+    """Import an object from an import path dynamically.
+
+    Args:
+        object_path (str): fully classified path to the object to be imported
+    """
+    module_name, func_name = object_path.rsplit(".", 1)
     module = importlib.import_module(module_name)
-    return getattr(module, class_name)
+    return getattr(module, func_name)
diff --git a/qsprpred/utils/interfaces/__init__.py b/qsprpred/utils/interfaces/__init__.py
new file mode 100644
index 00000000..139597f9
--- /dev/null
+++ b/qsprpred/utils/interfaces/__init__.py
@@ -0,0 +1,2 @@
+
+
diff --git a/qsprpred/utils/interfaces/randomized.py b/qsprpred/utils/interfaces/randomized.py
new file mode 100644
index 00000000..fd38b51a
--- /dev/null
+++ b/qsprpred/utils/interfaces/randomized.py
@@ -0,0 +1,24 @@
+class Randomized:
+    """An object with one or more pseudorandom actions that can be fixed with a seed.
+
+    Attributes:
+        seed (int | None):
+            The seed to use to randomize the action. If `None`,
+            a random seed is used instead of a fixed one (default: `None`).
+    """
+    def __init__(self, seed: int | None = None) -> None:
+        """Create a new randomized action.
+
+        Args:
+            seed:
+                the seed to use to randomize the action. If `None`,
+                a random seed is used instead of a fixed one (default: `None`).
+        """
+        self.seed = seed
+
+    def setSeed(self, seed: int | None = None):
+        self.seed = seed
+
+    def getSeed(self):
+        """Get the seed used to randomize the action."""
+        return self.seed
diff --git a/qsprpred/utils/interfaces/summarizable.py b/qsprpred/utils/interfaces/summarizable.py
new file mode 100644
index 00000000..9abb6fbc
--- /dev/null
+++ b/qsprpred/utils/interfaces/summarizable.py
@@ -0,0 +1,14 @@
+from abc import abstractmethod
+
+import pandas as pd
+
+
+class Summarizable:
+    @abstractmethod
+    def getSummary(self) -> pd.DataFrame:
+        """Make a summary with some statistics about this object or action.
+
+        Returns:
+            (pd.DataFrame):
+                A dataframe with the summary statistics.
+        """
diff --git a/qsprpred/utils/parallel.py b/qsprpred/utils/parallel.py
new file mode 100644
index 00000000..03b3ea22
--- /dev/null
+++ b/qsprpred/utils/parallel.py
@@ -0,0 +1,152 @@
+import multiprocessing
+from concurrent import futures
+from typing import Iterable, Callable, Literal, Generator
+
+from qsprpred.logs import logger
+
+
+def batched_generator(iterable: Iterable, batch_size: int) -> Generator:
+    """
+    A simple generator that batches inputs from a supplied iterable.
+
+    Args:
+        iterable: An iterable object to batch with the generator.
+        batch_size: Number of items to include in each batch.
+
+    Returns:
+        A generator that yields batches of the input generator one at a time.
+    """
+    batch = []
+    for item in iterable:
+        batch.append(item)
+        if len(batch) == batch_size:
+            yield batch
+            batch = []
+    if batch:
+        yield batch
+
+
+def parallel_jit_generator(
+        generator: Generator,
+        process_func: Callable,
+        n_cpus: int,
+        pool_type: Literal["pebble", "multiprocessing"] = "multiprocessing",
+        timeout: int | None = None,
+        args: tuple | None = None,
+        kwargs: dict | None = None
+) -> Generator:
+    """
+    A parallel 'JIT (Just In Time)' generator that yields the results of a function
+    applied in parallel to each item of a supplied generator. The advantage of this JIT
+    implementation is that it only evaluates the next item in the input generator
+    as soon as it is needed for the calculation. This means that only one item from
+    the iterable is loaded into memory at a time.
+
+    The generator also supports timeout for each job. The 'pebble'
+    pool_type can be used to support this feature. In all other cases,
+    the 'multiprocessing' pool_type is sufficient.
+
+    Args:
+        generator(SupportsNext):
+            An iterable object to apply the function to.
+        process_func(Callable):
+            The function to apply to each item in the iterable.
+        n_cpus(int):
+            Number of CPUs to use.
+        pool_type(Literal["pebble", "multiprocessing"]):
+            The type of pool to use.
+        timeout(int | None):
+            A timeout threshold in seconds. Processes that exceed this threshold will
+            be terminated and a `TimeoutError` will be returned.
+        args(tuple | None):
+            Additional positional arguments to pass to the function.
+        kwargs(dict | None):
+            Additional keyword arguments to pass to the function.
+
+    Returns:
+        A generator that yields the results of the function applied to each item in the
+        iterable. If a timeout is specified, a `TimeoutError` will be returned instead.
+    """
+    args = args or ()
+    kwargs = kwargs or {}
+    if pool_type not in ["pebble", "multiprocessing"]:
+        raise ValueError(f"The 'pool_type' must be one of 'pebble' "
+                         f"or 'multiprocessing', got {pool_type} instead.")
+    if pool_type != "pebble" and timeout is not None:
+        raise ValueError(f"The 'timeout' argument is only supported "
+                         f"for 'pebble' pools, got {pool_type} instead.")
+    pool_type_to_pool = {
+        "multiprocessing": multiprocessing.Pool(processes=n_cpus)
+    }
+    if pool_type == "pebble":
+        try:
+            from pebble import ProcessPool
+            pool_type_to_pool["pebble"] = ProcessPool(max_workers=n_cpus)
+        except ImportError:
+            raise ImportError("Failed to import pool type 'pebble'. Install it first.")
+    with pool_type_to_pool[pool_type] as pool:
+        queue = []
+        done = False
+        while not done or queue:
+            try:
+                # take a slice of the generator
+                input_args = [next(generator), *list(args)]
+                # add our next slice to the pool
+                if pool_type == "pebble":
+                    queue.append(pool.schedule(
+                        process_func,
+                        args=input_args,
+                        kwargs=kwargs,
+                        timeout=timeout
+                    ))
+                else:
+                    queue.append(pool.apply_async(
+                        process_func,
+                        input_args,
+                        kwargs
+                    ))
+            except StopIteration:
+                # no more data, clear out the slice generator
+                done = True
+            # wait for a free worker or until all remaining workers finish
+            logger.debug(f"Waiting for {len(queue)} workers to finish...")
+            while queue and ((len(queue) >= n_cpus) or done):
+                # grab a process response from the top
+                process = queue.pop(0)
+                # check if job timed out and return the exception as a result
+                if pool_type == "pebble" \
+                        and process.done() \
+                        and type(process._exception ) in [
+                            TimeoutError,
+                            futures.TimeoutError
+                        ]:
+                    yield process._exception
+                    # make sure to pop the next item from the generator
+                    break
+                # check if result available
+                try:
+                    if pool_type == "pebble":
+                        # get the result, timeout error if not result yet available
+                        result = process.result(timeout=0.1)
+                        yield result
+                    else:
+                        process.wait(0.1)
+                        # check if process is done
+                        if not process.ready():
+                            # not finished, add it back to queue
+                            queue.append(process)
+                        else:
+                            # finished, yield the result
+                            yield process.get()
+                except (futures.TimeoutError, TimeoutError):
+                    # not done yet, add it back to the queue
+                    queue.append(process)
+                except Exception as exp:
+                    # something went wrong, log and yield the exception
+                    logger.error(type(exp))
+                    logger.error(repr(process))
+                    if pool_type == "pebble":
+                        yield process._exception
+                    else:
+                        yield exp
+                    break  # make sure to pop the next item from the generator
diff --git a/qsprpred/utils/serialization.py b/qsprpred/utils/serialization.py
new file mode 100644
index 00000000..61307b5d
--- /dev/null
+++ b/qsprpred/utils/serialization.py
@@ -0,0 +1,172 @@
+import base64
+import copy
+import json
+import marshal
+import os
+import types
+from abc import ABC, abstractmethod
+from typing import Any, Callable
+
+import jsonpickle
+
+from ..logs import logger
+from ..utils.inspect import dynamic_import
+
+jsonpickle.set_encoder_options('json', indent=4)
+
+
+class FileSerializable(ABC):
+    """
+    A class that can be serialized to a file and reconstructed from a file."""
+
+    @abstractmethod
+    def toFile(self, filename: str) -> str:
+        """Serialize object to a metafile. This metafile should contain all
+        data necessary to reconstruct the object.
+
+        Args:
+            filename (str): filename to save object to
+
+        Returns:
+            filename (str): absolute path to the saved metafile of the object
+        """
+
+    @classmethod
+    @abstractmethod
+    def fromFile(cls, filename: str) -> object:
+        """Reconstruct object from a metafile.
+
+        Args:
+            filename (str): filename of the metafile to load object from
+
+        Returns:
+            obj (object): reconstructed object
+        """
+
+
+class JSONSerializable(FileSerializable):
+    """A class that can be serialized to JSON and reconstructed from JSON.
+
+    Attributes:
+        _notJSON (list):
+            list of attributes that should not be serialized to JSON explicitly
+    """
+
+    _notJSON = []
+
+    def __getstate__(self) -> dict:
+        """Get state of object for JSON serialization. Whatever
+        is returned should be serializable to JSON.
+
+        Returns:
+            o_dict (dict): dictionary of object attributes serializable to JSON
+        """
+        o_dict = dict()
+        for key in self.__dict__:
+            if key in self._notJSON:
+                continue
+            try:
+                o_dict[key] = copy.deepcopy(self.__dict__[key])
+            except Exception as exp:
+                logger.error(f"Could not deepcopy '{key}' because of: {exp}")
+                raise exp
+        return o_dict
+
+    def __setstate__(self, state: dict):
+        """Set state of object from a JSON serialization.
+
+        Args:
+            state (dict): dictionary of object attributes serializable to JSON
+        """
+        self.__dict__.update(state)
+
+    def toFile(self, filename: str) -> str:
+        """Serialize object to a JSON file. This JSON file should
+        contain all  data necessary to reconstruct the object.
+
+        Args:
+            filename (str): filename to save object to
+
+        Returns:
+            filename (str): absolute path to the saved JSON file of the object
+        """
+        json = self.toJSON()
+        with open(filename, 'w') as f:
+            f.write(json)
+        return os.path.abspath(filename)
+
+    @classmethod
+    def fromFile(cls, filename: str) -> Any:
+        """Initialize a new instance from a JSON file.
+
+        Args:
+            filename (str): path to the JSON file
+
+        Returns:
+            instance (object): new instance of the class
+        """
+        with open(filename, 'r') as f:
+            json = f.read()
+        return cls.fromJSON(json)
+
+    def toJSON(self) -> str:
+        """Serialize object to a JSON string. This JSON string should
+         contain all data necessary to reconstruct the object.
+
+        Returns:
+            json (str): JSON string of the object
+        """
+        return jsonpickle.encode(self, unpicklable=True)
+
+    @classmethod
+    def fromJSON(cls, json: str) -> Any:
+        """Reconstruct object from a JSON string.
+
+        Args:
+            json (str): JSON string of the object
+
+        Returns:
+            obj (object): reconstructed object
+        """
+        return jsonpickle.decode(json)
+
+
+def function_as_string(func: Callable) -> str:
+    """Convert a function to a string.
+
+    Args:
+        func (Callable): function to convert
+    """
+    json_form = json.loads(jsonpickle.encode(func, unpicklable=True))
+    if not json_form or "__main__" in json_form:
+        return base64.b64encode(
+            marshal.dumps(
+                func.__code__
+            )
+        ).decode("ascii")
+    elif "py/function" in json_form:
+        return json_form["py/function"]
+    elif "py/object" in json_form:
+        return json_form["py/object"]
+
+
+def function_from_string(func_str: str) -> Callable:
+    """Convert a function from a string. Conversion from encoded bytecode is
+    attempted first. If that fails, the string is assumed to be a fully
+    qualified name of the function.
+
+    Args:
+        func_str (str): string representation of the function
+
+    Returns:
+        processor (Callable): function
+    """
+    try:
+        return types.FunctionType(
+            marshal.loads(
+                base64.b64decode(func_str)
+            ),
+            globals()
+        )
+    except:
+        return dynamic_import(func_str)
diff --git a/qsprpred/logs/stopwatch.py b/qsprpred/utils/stopwatch.py
similarity index 100%
rename from qsprpred/logs/stopwatch.py
rename to qsprpred/utils/stopwatch.py
diff --git a/qsprpred/utils/stringops.py b/qsprpred/utils/stringops.py
new file mode 100644
index 00000000..da504c39
--- /dev/null
+++ b/qsprpred/utils/stringops.py
@@ -0,0 +1,34 @@
+"""Enumerating a list of items with leading zeros."""
+from typing import Sized
+import random
+import string
+
+
+def get_random_string(prefix: str = "",  length: int = 10):
+    """Generate a random string of fixed length.
+
+    Args:
+        prefix (str, optional): Prefix to add to the random string.
+        length (int, optional): Length of the random string.
+    """
+    return prefix + ''.join(random.choice(string.ascii_letters) for i in range(length))
+
+
+def generate_padded_index(items: Sized, prefix: str | None = "") -> list[str]:
+    """Generate zero-padded index strings for a list of items.
+
+    Args:
+        items (Iterable): List of items to generate index for.
+        prefix (str, optional): Prefix to add to each index.
+
+    Returns:
+        list[str]: List of zero-padded index strings.
+    """
+    num_digits = len(str(len(items)))
+    enumerated_strings = []
+    for i, item in enumerate(items, 0):
+        padded_str = str(i).zfill(num_digits)
+        if prefix:
+            padded_str = f"{prefix + '_' if prefix is not None else ''}{padded_str}"
+        enumerated_strings.append(padded_str)
+    return enumerated_strings
diff --git a/qsprpred/utils/testing/__init__.py b/qsprpred/utils/testing/__init__.py
new file mode 100644
index 00000000..8b137891
--- /dev/null
+++ b/qsprpred/utils/testing/__init__.py
@@ -0,0 +1 @@
+
diff --git a/qsprpred/utils/testing/base.py b/qsprpred/utils/testing/base.py
new file mode 100644
index 00000000..71eba57c
--- /dev/null
+++ b/qsprpred/utils/testing/base.py
@@ -0,0 +1,14 @@
+import logging
+import os
+from unittest import TestCase
+
+from ...logs import logger, setLogger
+
+
+class QSPRTestCase(TestCase):
+    def setUp(self):
+        self.nCPU = os.cpu_count()
+        self.GPUs = [0]
+        self.chunkSize = None
+        logger.setLevel(logging.DEBUG)
+        setLogger(logger)
diff --git a/qsprpred/utils/testing/check_mixins.py b/qsprpred/utils/testing/check_mixins.py
new file mode 100644
index 00000000..a00078fa
--- /dev/null
+++ b/qsprpred/utils/testing/check_mixins.py
@@ -0,0 +1,583 @@
+import logging
+import os
+from copy import deepcopy
+from os.path import exists
+from typing import Literal
+
+import numpy as np
+import pandas as pd
+from sklearn.model_selection import KFold
+
+from .path_mixins import ModelDataSetsPathMixIn
+from ... import TargetTasks
+from ...data import QSPRDataset
+from ...data.descriptors.sets import DescriptorSet
+from ...data.processing.feature_standardizers import SKLearnStandardizer
+from ...models import (
+    QSPRModel,
+    OptunaOptimization,
+    CrossValAssessor,
+    EarlyStoppingMode,
+    SklearnMetrics,
+    GridSearchOptimization,
+    TestSetAssessor,
+    HyperparameterOptimizationMonitor,
+    AssessorMonitor,
+    FitMonitor,
+    BaseMonitor,
+    FileMonitor,
+)
+from ...models.monitors import ListMonitor
+from ...tasks import TargetProperty
+
+
+class DescriptorCheckMixIn:
+    """Mixin class for common descriptor checks."""
+
+    def checkFeatures(self, ds: QSPRDataset, expected_length: int):
+        """Check if the feature names and the feature matrix of a data set is consistent
+        with expected number of variables.
+
+        Args:
+            ds (QSPRDataset): The data set to check.
+            expected_length (int): The expected number of features.
+
+        Raises:
+            AssertionError: If the feature names or the feature matrix is not consistent
+        """
+        self.assertEqual(len(ds.featureNames), expected_length)
+        self.assertEqual(len(ds.getFeatureNames()), expected_length)
+        if expected_length > 0:
+            features = ds.getFeatures(concat=True)
+        else:
+            self.assertRaises(ValueError, ds.getFeatures, concat=True)
+            features = pd.concat([ds.X, ds.X_ind])
+        self.assertEqual(features.shape[0], len(ds))
+        self.assertEqual(features.shape[1], expected_length)
+        self.assertEqual(ds.X.shape[1], expected_length)
+        self.assertEqual(ds.X_ind.shape[1], expected_length)
+        if expected_length > 0:
+            for fold in ds.iterFolds(split=KFold(n_splits=5)):
+                self.assertIsInstance(fold, tuple)
+                self.assertEqual(fold[0].shape[1], expected_length)
+                self.assertEqual(fold[1].shape[1], expected_length)
+        else:
+            self.assertRaises(
+                ValueError, lambda: list(ds.iterFolds(split=KFold(n_splits=5)))
+            )
+
+        # check if outliers are dropped
+        if "TestOutlier" in ds.df.columns:
+            num_dropped = ds.df.TestOutlier.sum()
+            # expected number of samples is the total number of samples minus the number
+            # of samples in the training set, minus the number of dropped
+            expected_num_samples = len(ds) - (len(ds.X)) - num_dropped
+            X, X_ind = ds.getFeatures(concat=False)
+            self.assertEqual(X_ind.shape[0], expected_num_samples)
+
+    def checkDescriptors(
+        self, dataset: QSPRDataset, target_props: list[dict | TargetProperty]
+    ):
+        """
+        Check if information about descriptors is consistent in the data set. Checks
+        if calculators are consistent with the descriptors contained in the data set.
+        This is tested also before and after serialization.
+
+        Args:
+            dataset (QSPRDataset): The data set to check.
+            target_props (List of dicts or TargetProperty): list of target properties
+
+        Raises:
+            AssertionError: If the consistency check fails.
+
+        """
+
+        # test some basic consistency rules on the resulting features
+        expected_length = 0
+        for calc in dataset.descriptorSets:
+            expected_length += len(calc.descriptors)
+        self.checkFeatures(dataset, expected_length)
+        # save to file, check if it can be loaded, and if the features are consistent
+        dataset.save()
+        ds_loaded = dataset.__class__.fromFile(dataset.metaFile)
+        self.assertEqual(ds_loaded.nJobs, dataset.nJobs)
+        self.assertEqual(ds_loaded.chunkSize, dataset.chunkSize)
+        self.assertEqual(ds_loaded.randomState, dataset.randomState)
+        for ds_loaded_prop, target_prop in zip(
+            ds_loaded.targetProperties, target_props
+        ):
+            if ds_loaded_prop.task.isClassification():
+                self.assertEqual(ds_loaded_prop.name, target_prop["name"])
+                self.assertEqual(ds_loaded_prop.task, target_prop["task"])
+        self.assertTrue(ds_loaded.descriptorSets)
+        for calc in ds_loaded.descriptors:
+            calc = calc.calculator
+            self.assertTrue(isinstance(calc, DescriptorSet))
+        self.checkFeatures(dataset, expected_length)
+
+
+class DataPrepCheckMixIn(DescriptorCheckMixIn):
+    """Mixin for testing data preparation."""
+
+    def checkPrep(
+        self,
+        dataset,
+        feature_calculators,
+        split,
+        feature_standardizer,
+        feature_filter,
+        data_filter,
+        applicability_domain,
+        expected_target_props,
+    ):
+        """Check the consistency of the dataset after preparation."""
+        name = dataset.name
+        # if a split needs a dataset, give it one
+        if split and hasattr(split, "setDataSet"):
+            split.setDataSet(None)
+            self.assertRaises(ValueError, split.getDataSet)
+            split.setDataSet(dataset)
+            self.assertEquals(dataset, split.getDataSet())
+
+        # prepare the dataset and check consistency
+        dataset.prepareDataset(
+            feature_calculators=feature_calculators,
+            split=split if split else None,
+            feature_standardizer=feature_standardizer if feature_standardizer else None,
+            feature_filters=[feature_filter] if feature_filter else None,
+            data_filters=[data_filter] if data_filter else None,
+            applicability_domain=applicability_domain,
+            drop_outliers=True if applicability_domain is not None else False,
+        )
+        expected_feature_count = len(dataset.featureNames)
+        original_features = dataset.featureNames
+        train, test = dataset.getFeatures()
+        self.checkFeatures(dataset, expected_feature_count)
+        # save the dataset
+        dataset.save()
+        # reload the dataset and check consistency again
+        dataset = dataset.__class__.fromFile(dataset.metaFile)
+        self.assertEqual(dataset.name, name)
+        self.assertEqual(dataset.targetProperties[0].task, TargetTasks.REGRESSION)
+        for idx, prop in enumerate(expected_target_props):
+            self.assertEqual(dataset.targetProperties[idx].name, prop)
+        for calc in dataset.descriptors:
+            calc = calc.calculator
+            self.assertIsInstance(calc, DescriptorSet)
+        if feature_standardizer is not None:
+            self.assertIsInstance(dataset.featureStandardizer, SKLearnStandardizer)
+        else:
+            self.assertIsNone(dataset.featureStandardizer)
+        self.checkFeatures(dataset, expected_feature_count)
+        # verify prep results are the same after reloading
+        dataset.prepareDataset(
+            feature_calculators=feature_calculators,
+            split=split if split else None,
+            feature_standardizer=feature_standardizer if feature_standardizer else None,
+            feature_filters=[feature_filter] if feature_filter else None,
+            data_filters=[data_filter] if data_filter else None,
+            applicability_domain=applicability_domain,
+            drop_outliers=True if applicability_domain is not None else False,
+        )
+        self.checkFeatures(dataset, expected_feature_count)
+        self.assertListEqual(sorted(dataset.featureNames), sorted(original_features))
+        train2, test2 = dataset.getFeatures()
+        self.assertTrue(train.index.equals(train2.index))
+        self.assertTrue(test.index.equals(test2.index))
+
+
+class DescriptorInDataCheckMixIn(DescriptorCheckMixIn):
+    """Mixin for testing descriptor sets in data sets."""
+
+    @staticmethod
+    def getDatSetName(desc_set, target_props):
+        """Get a unique name for a data set."""
+        target_props_id = [
+            f"{target_prop['name']}_{target_prop['task']}"
+            for target_prop in target_props
+        ]
+        return f"{desc_set}_{target_props_id}"
+
+    def checkDataSetContainsDescriptorSet(
+        self, dataset, desc_set, prep_combo, target_props
+    ):
+        """Check if a descriptor set is in a data set."""
+        # run the preparation
+        logging.debug(f"Testing descriptor set: {desc_set} in data set: {dataset.name}")
+        preparation = {}
+        preparation.update(prep_combo)
+        preparation["feature_calculators"] = [desc_set]
+        dataset.prepareDataset(**preparation)
+        # test consistency
+        self.checkDescriptors(dataset, target_props)
+
+
+class ModelCheckMixIn:
+    """This class holds the tests for the QSPRmodel class."""
+
+    @property
+    def gridFile(self):
+        return f"{os.path.dirname(__file__)}/test_files/search_space_test.json"
+
+    def getParamGrid(self, model: QSPRModel, grid: str) -> dict:
+        """Get the parameter grid for a model.
+
+        Args:
+            model (QSPRModel): The model to get the parameter grid for.
+            grid (str): The grid type to get the parameter grid for.
+
+        Returns:
+            dict: The parameter grid.
+        """
+
+        mname = model.name.split("_")[0]
+        grid_params = model.__class__.loadParamsGrid(self.gridFile, grid, mname)
+        return grid_params[grid_params[:, 0] == mname, 1][0]
+
+    def fitTest(self, model: QSPRModel, ds: QSPRDataset):
+        """Test model fitting, optimization and evaluation.
+
+        Args:
+            model (QSPRModel): The model to test.
+            ds (QSPRDataset): The dataset to use for testing.
+        """
+        # perform bayes optimization
+        model.initFromDataset(ds)
+        score_func = "r2" if model.task.isRegression() else "roc_auc_ovr"
+        search_space_bs = self.getParamGrid(model, "bayes")
+        bayesoptimizer = OptunaOptimization(
+            param_grid=search_space_bs,
+            n_trials=1,
+            model_assessor=CrossValAssessor(
+                scoring=score_func, mode=EarlyStoppingMode.NOT_RECORDING
+            ),
+        )
+        best_params = bayesoptimizer.optimize(model, ds)
+        model.setParams(best_params)
+        model.save()
+        model_new = model.__class__.fromFile(model.metaFile)
+        for param in best_params:
+            self.assertEqual(model_new.parameters[param], best_params[param])
+        # perform grid search
+        search_space_gs = self.getParamGrid(model, "grid")
+        if model.task.isClassification():
+            score_func = SklearnMetrics("accuracy")
+        gridsearcher = GridSearchOptimization(
+            param_grid=search_space_gs,
+            score_aggregation=np.median,
+            model_assessor=TestSetAssessor(
+                scoring=score_func,
+                use_proba=False,
+                mode=EarlyStoppingMode.NOT_RECORDING,
+            ),
+        )
+        best_params = gridsearcher.optimize(model, ds)
+        model_new = model.__class__.fromFile(model.metaFile)
+        for param in best_params:
+            self.assertEqual(model_new.parameters[param], best_params[param])
+        model.cleanFiles()
+        # perform crossvalidation
+        score_func = "r2" if model.task.isRegression() else "roc_auc_ovr"
+        n_folds = 5
+        scores = CrossValAssessor(
+            mode=EarlyStoppingMode.RECORDING,
+            scoring=score_func,
+            split_multitask_scores=model.isMultiTask,
+            split=KFold(n_splits=n_folds, shuffle=True, random_state=model.randomState),
+        )(model, ds)
+        if model.isMultiTask:
+            self.assertEqual(scores.shape, (n_folds, len(model.targetProperties)))
+        scores = TestSetAssessor(
+            mode=EarlyStoppingMode.NOT_RECORDING,
+            scoring=score_func,
+            split_multitask_scores=model.isMultiTask,
+        )(model, ds)
+        if model.isMultiTask:
+            self.assertEqual(scores.shape, (len(model.targetProperties),))
+        self.assertTrue(exists(f"{model.outDir}/{model.name}.ind.tsv"))
+        self.assertTrue(exists(f"{model.outDir}/{model.name}.cv.tsv"))
+        # train the model on all data
+        path = model.fitDataset(ds)
+        self.assertTrue(exists(path))
+        self.assertTrue(exists(model.metaFile))
+        self.assertEqual(path, model.metaFile)
+
+    def predictorTest(
+        self,
+        model: QSPRModel,
+        dataset: QSPRDataset,
+        comparison_model: QSPRModel | None = None,
+        expect_equal_result=True,
+        **pred_kwargs,
+    ):
+        """Test model predictions.
+
+        Checks if the shape of the predictions is as expected and if the predictions
+        of the predictMols function are consistent with the predictions of the
+        predict/predictProba functions. Also checks if the predictions of the model are
+        the same as the predictions of the comparison model if given.
+
+        Args:
+            model (QSPRModel): The model to make predictions with.
+            dataset (QSPRDataset): The dataset to make predictions for.
+            comparison_model (QSPRModel): another model to compare the predictions with.
+            expect_equal_result (bool): Whether the expected result should be equal or
+                not equal to the predictions of the comparison model.
+            **pred_kwargs:
+                Extra keyword arguments to pass to the predictor's `predictMols` method.
+        """
+
+        # define checks of the shape of the predictions
+        def check_shape(predictions, model, num_smiles, use_probas):
+            if model.task.isClassification() and use_probas:
+                # check predictions are a list of arrays of shape (n_smiles, n_classes)
+                self.assertEqual(len(predictions), len(model.targetProperties))
+                for i in range(len(model.targetProperties)):
+                    self.assertEqual(
+                        predictions[i].shape,
+                        (num_smiles, model.targetProperties[i].nClasses),
+                    )
+            else:
+                # check predictions are an array of shape (n_smiles, n_targets)
+                self.assertEqual(
+                    predictions.shape,
+                    (num_smiles, len(model.targetProperties)),
+                )
+
+        # define check for comparing predictions with expected result
+        def check_predictions(predictions, expected_result, expect_equal_result):
+            # check if predictions are almost equal to expected result (rtol=1e-5)
+            check_outcome = self.assertTrue if expect_equal_result else self.assertFalse
+            if isinstance(expected_result, list):
+                for i in range(len(expected_result)):
+                    check_outcome(np.allclose(predictions[i], expected_result[i]))
+            else:
+                check_outcome(np.allclose(predictions, expected_result))
+
+        # Check if the predictMols function gives the same result as the
+        # predict/predictProba function
+        # get the expected result from the basic predict function
+        features = dataset.getFeatures(
+            concat=True, ordered=True, refit_standardizer=False
+        )
+        expected_result = model.predict(features)
+        # make predictions with the predictMols function and check with previous result
+        smiles = list(dataset.smiles)
+        num_smiles = len(smiles)
+        predictions = model.predictMols(smiles, use_probas=False, **pred_kwargs)
+        check_shape(predictions, model, num_smiles, use_probas=False)
+        check_predictions(predictions, expected_result, True)
+        # do the same for the predictProba function
+        predictions_proba = None
+        if model.task.isClassification():
+            expected_result_proba = model.predictProba(features)
+            predictions_proba = model.predictMols(
+                smiles, use_probas=True, **pred_kwargs
+            )
+            check_shape(predictions_proba, model, len(smiles), use_probas=True)
+            check_predictions(predictions_proba, expected_result_proba, True)
+        # check if the predictions are (not) the same as of the comparison model
+        if comparison_model is not None:
+            predictions_comparison = comparison_model.predictMols(
+                smiles, use_probas=False, **pred_kwargs
+            )
+            check_predictions(predictions, predictions_comparison, expect_equal_result)
+            if predictions_proba is not None:
+                predictions_comparison_proba = comparison_model.predictMols(
+                    smiles, use_probas=True, **pred_kwargs
+                )
+                check_predictions(
+                    predictions_proba, predictions_comparison_proba, expect_equal_result
+                )
+
+
+class MonitorsCheckMixIn(ModelDataSetsPathMixIn, ModelCheckMixIn):
+    def trainModelWithMonitoring(
+        self,
+        model: QSPRModel,
+        ds: QSPRDataset,
+        hyperparam_monitor: HyperparameterOptimizationMonitor,
+        crossval_monitor: AssessorMonitor,
+        test_monitor: AssessorMonitor,
+        fit_monitor: FitMonitor,
+    ) -> (
+        HyperparameterOptimizationMonitor,
+        AssessorMonitor,
+        AssessorMonitor,
+        FitMonitor,
+    ):
+        score_func = (
+            "r2" if ds.targetProperties[0].task.isRegression() else "roc_auc_ovr"
+        )
+        search_space_gs = self.getParamGrid(model, "grid")
+        gridsearcher = GridSearchOptimization(
+            param_grid=search_space_gs,
+            model_assessor=CrossValAssessor(
+                scoring=score_func,
+                mode=EarlyStoppingMode.NOT_RECORDING,
+            ),
+            monitor=hyperparam_monitor,
+        )
+        best_params = gridsearcher.optimize(model, ds)
+        model.setParams(best_params)
+        model.save()
+        # perform crossvalidation
+        CrossValAssessor(
+            mode=EarlyStoppingMode.RECORDING,
+            scoring=score_func,
+            monitor=crossval_monitor,
+        )(model, ds)
+        TestSetAssessor(
+            mode=EarlyStoppingMode.NOT_RECORDING,
+            scoring=score_func,
+            monitor=test_monitor,
+        )(model, ds)
+        # train the model on all data
+        model.fitDataset(ds, monitor=fit_monitor)
+        return hyperparam_monitor, crossval_monitor, test_monitor, fit_monitor
+
+    def baseMonitorTest(
+        self,
+        monitor: BaseMonitor,
+        monitor_type: Literal["hyperparam", "crossval", "test", "fit"],
+        neural_net: bool,
+    ):
+        """Test the base monitor."""
+
+        def check_fit_empty(monitor):
+            self.assertEqual(len(monitor.fitLog), 0)
+            self.assertEqual(len(monitor.batchLog), 0)
+            self.assertIsNone(monitor.currentEpoch)
+            self.assertIsNone(monitor.currentBatch)
+            self.assertIsNone(monitor.bestEstimator)
+            self.assertIsNone(monitor.bestEpoch)
+
+        def check_assessment_empty(monitor):
+            self.assertIsNone(monitor.assessmentModel)
+            self.assertIsNone(monitor.asssessmentDataset)
+            self.assertDictEqual(monitor.foldData, {})
+            self.assertIsNone(monitor.predictions)
+            self.assertDictEqual(monitor.estimators, {})
+
+        def check_hyperparam_monitor(monitor):
+            # calculate number of iterations from config
+            n_iter = np.prod([len(v) for v in monitor.config["param_grid"].values()])
+            self.assertGreater(n_iter, 0)
+            self.assertEqual(len(monitor.assessments), n_iter)
+            self.assertEqual(len(monitor.parameters), n_iter)
+            self.assertEqual(monitor.scores.shape, (n_iter, 2))  # agg score + scores
+            self.assertEqual(
+                max(monitor.scores.aggregated_score),
+                monitor.bestScore,
+            )
+            self.assertDictEqual(
+                monitor.bestParameters,
+                monitor.parameters[monitor.scores.aggregated_score.argmax()],
+            )
+            check_assessment_empty(monitor)
+            check_fit_empty(monitor)
+
+        def check_assessor_monitor(monitor, n_folds, len_y):
+            self.assertEqual(
+                monitor.predictions.shape,
+                (len_y, 3 if n_folds > 1 else 2),  # labels + preds (+ fold)
+            )
+            self.assertEqual(len(monitor.foldData), n_folds)
+            self.assertEqual(len(monitor.fits), n_folds)
+            self.assertEqual(len(monitor.estimators), n_folds)
+            check_fit_empty(monitor)
+
+        def check_fit_monitor(monitor):
+            self.assertGreater(len(monitor.fitLog), 0)
+            self.assertGreater(len(monitor.batchLog), 0)
+            self.assertTrue(isinstance(monitor.bestEstimator, monitor.fitModel.alg))
+            self.assertIsNotNone(monitor.currentEpoch)
+            self.assertIsNotNone(monitor.currentBatch)
+
+        if monitor_type == "hyperparam":
+            check_hyperparam_monitor(monitor)
+        elif monitor_type == "crossval":
+            check_assessor_monitor(monitor, 5, len(monitor.assessmentDataset.y))
+        elif monitor_type == "test":
+            check_assessor_monitor(monitor, 1, len(monitor.assessmentDataset.y_ind))
+        elif monitor_type == "fit":
+            if neural_net:
+                check_fit_monitor(monitor)
+            else:
+                check_fit_empty(monitor)
+        else:
+            raise ValueError(f"Unknown monitor type {monitor_type}")
+
+    def fileMonitorTest(
+        self,
+        monitor: FileMonitor,
+        monitor_type: Literal["hyperparam", "crossval", "test", "fit"],
+        neural_net: bool,
+    ):
+        """Test if the correct files are generated"""
+
+        def check_fit_files(path):
+            self.assertTrue(os.path.exists(f"{path}/fit_log.tsv"))
+            self.assertTrue(os.path.exists(f"{path}/batch_log.tsv"))
+
+        def check_assessment_files(path, monitor):
+            output_path = f"{path}/{monitor.assessmentType}"
+            self.assertTrue(os.path.exists(output_path))
+            self.assertTrue(
+                os.path.exists(
+                    f"{output_path}/{monitor.assessmentType}_predictions.tsv"
+                )
+            )
+
+            if monitor.saveFits and neural_net:
+                for fold in monitor.foldData:
+                    check_fit_files(f"{output_path}/fold_{fold}")
+
+        def check_hyperparam_files(path, monitor):
+            output_path = f"{path}/GridSearchOptimization"
+            self.assertTrue(os.path.exists(output_path))
+            self.assertTrue(
+                os.path.exists(f"{output_path}/GridSearchOptimization_scores.tsv")
+            )
+
+            if monitor.saveAssessments:
+                for assessment in monitor.assessments:
+                    check_assessment_files(
+                        f"{output_path}/iteration_{assessment}", monitor
+                    )
+
+        if monitor_type == "hyperparam":
+            check_hyperparam_files(monitor.outDir, monitor)
+        elif monitor_type in ["crossval", "test"]:
+            check_assessment_files(monitor.outDir, monitor)
+        elif monitor_type == "fit" and neural_net:
+            check_fit_files(monitor.outDir)
+
+    def listMonitorTest(
+        self,
+        monitor: ListMonitor,
+        monitor_type: Literal["hyperparam", "crossval", "test", "fit"],
+        neural_net: bool,
+    ):
+        self.baseMonitorTest(monitor.monitors[0], monitor_type, neural_net)
+        self.fileMonitorTest(monitor.monitors[1], monitor_type, neural_net)
+
+    def runMonitorTest(
+        self, model, data, monitor_type, test_method, nerual_net, *args, **kwargs
+    ):
+        hyperparam_monitor = monitor_type(*args, **kwargs)
+        crossval_monitor = deepcopy(hyperparam_monitor)
+        test_monitor = deepcopy(hyperparam_monitor)
+        fit_monitor = deepcopy(hyperparam_monitor)
+        (
+            hyperparam_monitor,
+            crossval_monitor,
+            test_monitor,
+            fit_monitor,
+        ) = self.trainModelWithMonitoring(
+            model, data, hyperparam_monitor, crossval_monitor, test_monitor, fit_monitor
+        )
+        test_method(hyperparam_monitor, "hyperparam", nerual_net)
+        test_method(crossval_monitor, "crossval", nerual_net)
+        test_method(test_monitor, "test", nerual_net)
+        test_method(fit_monitor, "fit", nerual_net)
diff --git a/qsprpred/utils/testing/path_mixins.py b/qsprpred/utils/testing/path_mixins.py
new file mode 100644
index 00000000..86e873d1
--- /dev/null
+++ b/qsprpred/utils/testing/path_mixins.py
@@ -0,0 +1,404 @@
+import copy
+import itertools
+import os
+import shutil
+import tempfile
+from typing import Iterable
+
+import pandas as pd
+from mlchemad.applicability_domains import TopKatApplicabilityDomain
+from sklearn.preprocessing import StandardScaler
+
+from ...data import RandomSplit, QSPRDataset
+from ...data.descriptors.fingerprints import (
+    AtomPairFP,
+    AvalonFP,
+    LayeredFP,
+    MaccsFP,
+    MorganFP,
+    PatternFP,
+    RDKitFP,
+    RDKitMACCSFP,
+    TopologicalFP,
+)
+from ...data.descriptors.sets import (
+    RDKitDescs,
+    DrugExPhyschem,
+    PredictorDesc,
+    TanimotoDistances,
+)
+from ...data.processing.data_filters import RepeatsFilter
+from ...data.processing.feature_filters import HighCorrelationFilter, LowVarianceFilter
+from ...data.processing.feature_standardizers import SKLearnStandardizer
+from ...models import SklearnModel
+from ...tasks import TargetTasks
+
+
+class PathMixIn:
+    """Mix-in class that provides paths to test files and directories and handles their
+    creation and deletion.
+
+    Attributes:
+        generatedPath (str):
+            path to the directory where generated files are stored, this directory is
+            created before and cleared after each test
+
+    """
+    def setUpPaths(self):
+        """Create the directories that are used for testing."""
+        self.generatedPath = tempfile.mkdtemp(prefix="qsprpred_test_")
+        self.clearGenerated()
+        if not os.path.exists(self.generatedPath):
+            os.makedirs(self.generatedPath)
+
+    def tearDown(self):
+        """Remove all files and directories that are used for testing."""
+        self.clearGenerated()
+
+    def clearGenerated(self):
+        """Remove the directories that are used for testing."""
+        if os.path.exists(self.generatedPath):
+            shutil.rmtree(self.generatedPath)
+
+
+class DataSetsPathMixIn(PathMixIn):
+    """Mix-in class that provides a small and large testing data set and some common
+    preparation settings to use in tests."""
+    def setUpPaths(self):
+        """Create the directories that are used for testing."""
+        super().setUpPaths()
+        self.inputBasePath = f"{os.path.dirname(__file__)}/test_files"
+        self.inputDataPath = f"{self.inputBasePath}/data/"
+        self.generatedDataPath = f"{self.generatedPath}/datasets"
+        if not os.path.exists(self.generatedDataPath):
+            os.makedirs(self.generatedDataPath)
+
+    @staticmethod
+    def getDefaultPrep():
+        """Return a dictionary with default preparation settings."""
+        return {
+            "feature_calculators": [MorganFP(radius=2, nBits=128)],
+            "split": RandomSplit(test_fraction=0.1),
+            "feature_standardizer": StandardScaler(),
+            "feature_filters": [LowVarianceFilter(0.05),
+                                HighCorrelationFilter(0.8)],
+        }
+
+    @classmethod
+    def getAllDescriptors(cls):
+        """Return a list of (ideally) all available descriptor sets. For now
+        they need to be added manually to the list below.
+
+        TODO: would be nice to create the list automatically by implementing a
+        descriptor set registry that would hold all installed descriptor sets.
+
+        Returns:
+            list: `list` of `DescriptorCalculator` objects
+        """
+        descriptor_sets = [
+            RDKitDescs(),
+            DrugExPhyschem(),
+            PredictorDesc(
+                SklearnModel.fromFile(
+                    f"{os.path.dirname(__file__)}/test_files/test_predictor/"
+                    f"RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json"
+                )
+            ),
+            TanimotoDistances(
+                list_of_smiles=["C", "CC", "CCC"],
+                fingerprint_type=MorganFP(radius=2, nBits=128),
+                radius=2,
+                nBits=128,
+            ),
+            AtomPairFP(nBits=128),
+            AvalonFP(nBits=128),
+            LayeredFP(nBits=128),
+            MaccsFP(),
+            MorganFP(radius=2, nBits=128),
+            PatternFP(nBits=128),
+            RDKitFP(nBits=128),
+            RDKitMACCSFP(),
+            TopologicalFP(nBits=128),
+        ]
+
+        return descriptor_sets
+
+    @classmethod
+    def getDefaultCalculatorCombo(cls):
+        """
+        Makes a list of default descriptor calculators that can be used in tests.
+        It creates a calculator with only morgan fingerprints and rdkit descriptors,
+        but also one with them both to test behaviour with multiple descriptor sets.
+        Override this method if you want to test with other descriptor sets and
+        calculator combinations.
+
+        Returns:
+            list: `list` of created `DescriptorCalculator` objects
+        """
+        feature_sets = [
+            MorganFP(radius=3, nBits=128),
+            RDKitDescs(),
+        ]
+        mol_descriptor_calculators = list(
+            itertools.combinations(feature_sets, 1)
+        ) + list(itertools.combinations(feature_sets, 2))
+        return mol_descriptor_calculators
+
+    @classmethod
+    def getDataPrepGrid(cls):
+        """Return a list of many possible combinations of descriptor calculators,
+        splits, feature standardizers, feature filters and data filters. Again, this is
+        not exhaustive, but should cover a lot of cases.
+
+        Returns:
+            grid:
+                a generator that yields tuples of all possible combinations as stated
+                above, each tuple is defined as: (descriptor_calculator, split,
+                feature_standardizer, feature_filters, data_filters)
+        """
+        # get the feature calculators
+        descriptor_calculators = cls.getDefaultCalculatorCombo()
+        # lists with common preparation settings
+        splits = [None, RandomSplit(test_fraction=0.1)]
+        feature_standardizers = [None, StandardScaler()]
+        feature_filters = [None, HighCorrelationFilter(0.9)]
+        applicability_domains = [None, TopKatApplicabilityDomain()]
+        data_filters = [
+            None,
+            RepeatsFilter(),
+            # CategoryFilter(
+            # FIXME: this needs to be made more general and not specific to one dataset
+            #     name="moka_ionState7.4",
+            #     values=["cationic"]
+            # ),
+        ]
+        # All combinations of the above preparation settings (passed to prepareDataset)
+        return (
+            # deep copy to avoid conflicts cayed by operating on one instance twice
+            copy.deepcopy(combo) for combo in itertools.product(
+                descriptor_calculators,
+                splits,
+                feature_standardizers,
+                feature_filters,
+                data_filters,
+                applicability_domains,
+            )
+        )
+
+    @classmethod
+    def getPrepCombos(cls):
+        """
+        Return a list of all possible preparation combinations as generated by
+        `getDataPrepGrid` as well as their names. The generated list can be used
+        to parameterize tests with the given named combinations.
+
+        Returns:
+            list: `list` of `list`s of all possible combinations of preparation
+        """
+        def get_name(obj: object):
+            """
+            Get the name of a data preparation object,
+            or its class name if it is not a string.
+
+            Args:
+                obj: the object to get name for
+
+            Returns:
+                str: the generated name of the object
+            """
+            return (
+                str(None)
+                if obj is None
+                else obj.__class__.__name__
+                if (not isinstance(obj, SKLearnStandardizer))
+                else str(obj)
+            )
+
+        def get_name_list(obj: Iterable | object):
+            """
+            Parse an generator of data preparation objects and return a string.
+            Note that the method proceeds recursively so nested iterables are also
+            parsed.
+
+            Args:
+                obj: the object or an generator of objects to get name for
+
+            Returns:
+                str: the generated name of the object or a list of objects
+            """
+            if isinstance(obj, Iterable):
+                return "_".join([get_name_list(i) for i in obj])
+            else:
+                return get_name(obj)
+
+        ret = [2 * [get_name_list(x)] + list(x) for x in cls.getDataPrepGrid()]
+        return ret
+
+    def getBigDF(self):
+        """Get a large data frame for testing purposes.
+
+        Returns:
+            pd.DataFrame: a `pandas.DataFrame` containing the dataset
+        """
+        return pd.read_csv(f"{self.inputDataPath}/test_data_large.tsv", sep="\t")
+
+    def getSmallDF(self):
+        """Get a small data frame for testing purposes.
+
+        Returns:
+            pd.DataFrame: a `pandas.DataFrame` containing the dataset
+        """
+        return pd.read_csv(f"{self.inputDataPath}/test_data.tsv", sep="\t").sample(10)
+
+    def createLargeTestDataSet(
+        self,
+        name="QSPRDataset_test_large",
+        target_props=[{
+            "name": "CL",
+            "task": TargetTasks.REGRESSION
+        }],
+        preparation_settings=None,
+        random_state=42,
+        n_jobs=1,
+        chunk_size=None,
+    ):
+        """Create a large dataset for testing purposes.
+
+        Args:
+            name (str): name of the dataset
+            target_props (List of dicts or TargetProperty): list of target properties
+            random_state (int): random state to use for splitting and shuffling
+            preparation_settings (dict): dictionary containing preparation settings
+
+        Returns:
+            QSPRDataset: a `QSPRDataset` object
+        """
+        return self.createTestDataSetFromFrame(
+            self.getBigDF(),
+            name=name,
+            target_props=target_props,
+            prep=preparation_settings,
+            random_state=random_state,
+            n_jobs=n_jobs,
+            chunk_size=chunk_size,
+        )
+
+    def createSmallTestDataSet(
+        self,
+        name="QSPRDataset_test_small",
+        target_props=[{
+            "name": "CL",
+            "task": TargetTasks.REGRESSION
+        }],
+        preparation_settings=None,
+        random_state=42,
+    ):
+        """Create a small dataset for testing purposes.
+
+        Args:
+            name (str): name of the dataset
+            target_props (List of dicts or TargetProperty): list of target properties
+            random_state (int): random state to use for splitting and shuffling
+            preparation_settings (dict): dictionary containing preparation settings
+
+        Returns:
+            QSPRDataset: a `QSPRDataset` object
+        """
+        return self.createTestDataSetFromFrame(
+            self.getSmallDF(),
+            name=name,
+            target_props=target_props,
+            random_state=random_state,
+            prep=preparation_settings,
+        )
+
+    def createTestDataSetFromFrame(
+        self,
+        df,
+        name="QSPRDataset_test",
+        target_props=[{
+            "name": "CL",
+            "task": TargetTasks.REGRESSION
+        }],
+        random_state=None,
+        prep=None,
+        n_jobs=1,
+        chunk_size=None,
+    ):
+        """Create a dataset for testing purposes from the given data frame.
+
+        Args:
+            df (pd.DataFrame): data frame containing the dataset
+            name (str): name of the dataset
+            target_props (List of dicts or TargetProperty): list of target properties
+            random_state (int): random state to use for splitting and shuffling
+            prep (dict): dictionary containing preparation settings
+
+        Returns:
+            QSPRDataset: a `QSPRDataset` object
+        """
+        ret = QSPRDataset(
+            name,
+            target_props=target_props,
+            df=df,
+            store_dir=self.generatedDataPath,
+            random_state=random_state,
+            n_jobs=n_jobs,
+            chunk_size=chunk_size,
+        )
+        if prep:
+            ret.prepareDataset(**prep)
+        return ret
+
+    def createLargeMultitaskDataSet(
+        self,
+        name="QSPRDataset_multi_test",
+        target_props=[
+            {
+                "name": "HBD",
+                "task": TargetTasks.MULTICLASS,
+                "th": [-1, 1, 2, 100]
+            },
+            {
+                "name": "CL",
+                "task": TargetTasks.REGRESSION
+            },
+        ],
+        preparation_settings=None,
+        random_state=42,
+    ):
+        """Create a large dataset for testing purposes.
+
+        Args:
+            name (str): name of the dataset
+            target_props (List of dicts or TargetProperty): list of target properties
+            preparation_settings (dict): dictionary containing preparation settings
+            random_state (int): random state to use for splitting and shuffling
+
+        Returns:
+            QSPRDataset: a `QSPRDataset` object
+        """
+        return self.createTestDataSetFromFrame(
+            self.getBigDF(),
+            name=name,
+            target_props=target_props,
+            random_state=random_state,
+            prep=preparation_settings,
+        )
+
+    def validate_split(self, dataset):
+        """Check if the split has the data it should have after splitting."""
+        self.assertTrue(dataset.X is not None)
+        self.assertTrue(dataset.X_ind is not None)
+        self.assertTrue(dataset.y is not None)
+        self.assertTrue(dataset.y_ind is not None)
+
+
+class ModelDataSetsPathMixIn(DataSetsPathMixIn):
+    """This class sets up the datasets for the model tests."""
+    def setUpPaths(self):
+        """Set up the test environment."""
+        super().setUpPaths()
+        self.generatedModelsPath = f"{self.generatedPath}/models/"
+        if not os.path.exists(self.generatedModelsPath):
+            os.makedirs(self.generatedModelsPath)
diff --git a/qsprpred/data/test_files/data/test_data.tsv b/qsprpred/utils/testing/test_files/data/test_data.tsv
similarity index 100%
rename from qsprpred/data/test_files/data/test_data.tsv
rename to qsprpred/utils/testing/test_files/data/test_data.tsv
diff --git a/qsprpred/data/test_files/data/test_data_large.tsv b/qsprpred/utils/testing/test_files/data/test_data_large.tsv
similarity index 100%
rename from qsprpred/data/test_files/data/test_data_large.tsv
rename to qsprpred/utils/testing/test_files/data/test_data_large.tsv
diff --git a/qsprpred/models/test_files/earlystopping.json b/qsprpred/utils/testing/test_files/earlystopping.json
similarity index 100%
rename from qsprpred/models/test_files/earlystopping.json
rename to qsprpred/utils/testing/test_files/earlystopping.json
diff --git a/qsprpred/models/test_files/parameters.json b/qsprpred/utils/testing/test_files/parameters.json
similarity index 100%
rename from qsprpred/models/test_files/parameters.json
rename to qsprpred/utils/testing/test_files/parameters.json
diff --git a/qsprpred/models/test_files/search_space_test.json b/qsprpred/utils/testing/test_files/search_space_test.json
similarity index 97%
rename from qsprpred/models/test_files/search_space_test.json
rename to qsprpred/utils/testing/test_files/search_space_test.json
index 25ad734d..dab516f2 100644
--- a/qsprpred/models/test_files/search_space_test.json
+++ b/qsprpred/utils/testing/test_files/search_space_test.json
@@ -43,6 +43,8 @@
         "weights": ["categorical", ["uniform", "distance"]],
         "metric": ["categorical", ["euclidean","manhattan",
                     "chebyshev","minkowski"]]}, "bayes"],
+["RandomModel", {}, "grid"],
+["RandomModel", {}, "bayes"],
 ["NB", {"var_smoothing": [1.00000000e+00, 1.00000000e-09]}, "grid"],
 ["NB", {"var_smoothing": ["loguniform", 1e-10, 1]}, "bayes"],
 ["PLSR", {"n_components": [1, 81]}, "grid"],
diff --git a/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv
new file mode 100644
index 00000000..18e2c727
--- /dev/null
+++ b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.cv.tsv
@@ -0,0 +1,160 @@
+QSPRID	CL_Label	CL_Prediction	CL_ProbabilityClass_0	CL_ProbabilityClass_1	Fold
+PredictorDescriptorDataset_119	True	0	0.65	0.35	0.0
+PredictorDescriptorDataset_123	True	0	0.52	0.48	0.0
+PredictorDescriptorDataset_140	False	0	0.68	0.32	0.0
+PredictorDescriptorDataset_096	False	0	0.53	0.47	0.0
+PredictorDescriptorDataset_197	True	1	0.44	0.56	0.0
+PredictorDescriptorDataset_169	False	0	0.52	0.48	0.0
+PredictorDescriptorDataset_116	True	0	0.62	0.38	0.0
+PredictorDescriptorDataset_051	False	0	0.61	0.39	0.0
+PredictorDescriptorDataset_105	True	0	0.58	0.42	0.0
+PredictorDescriptorDataset_162	False	0	0.52	0.48	0.0
+PredictorDescriptorDataset_011	True	0	0.5	0.5	0.0
+PredictorDescriptorDataset_027	False	0	0.7	0.3	0.0
+PredictorDescriptorDataset_187	False	0	0.6	0.4	0.0
+PredictorDescriptorDataset_145	False	0	0.58	0.42	0.0
+PredictorDescriptorDataset_118	False	0	0.64	0.36	0.0
+PredictorDescriptorDataset_040	False	0	0.53	0.47	0.0
+PredictorDescriptorDataset_155	False	1	0.46	0.54	0.0
+PredictorDescriptorDataset_138	False	0	0.57	0.43	0.0
+PredictorDescriptorDataset_003	True	0	0.53	0.47	0.0
+PredictorDescriptorDataset_106	True	0	0.75	0.25	0.0
+PredictorDescriptorDataset_134	True	0	0.59	0.41	0.0
+PredictorDescriptorDataset_185	False	0	0.6	0.4	0.0
+PredictorDescriptorDataset_108	True	0	0.57	0.43	0.0
+PredictorDescriptorDataset_050	True	0	0.58	0.42	0.0
+PredictorDescriptorDataset_058	True	0	0.56	0.44	0.0
+PredictorDescriptorDataset_130	True	0	0.68	0.32	0.0
+PredictorDescriptorDataset_150	False	0	0.53	0.47	0.0
+PredictorDescriptorDataset_100	False	0	0.59	0.41	0.0
+PredictorDescriptorDataset_088	False	1	0.46	0.54	0.0
+PredictorDescriptorDataset_020	True	1	0.44	0.56	0.0
+PredictorDescriptorDataset_189	False	0	0.75	0.25	0.0
+PredictorDescriptorDataset_014	True	0	0.6	0.4	0.0
+PredictorDescriptorDataset_024	False	0	0.56	0.44	1.0
+PredictorDescriptorDataset_142	False	0	0.71	0.29	1.0
+PredictorDescriptorDataset_005	True	0	0.53	0.47	1.0
+PredictorDescriptorDataset_012	False	1	0.43	0.57	1.0
+PredictorDescriptorDataset_073	True	0	0.59	0.41	1.0
+PredictorDescriptorDataset_137	True	1	0.49	0.51	1.0
+PredictorDescriptorDataset_041	False	0	0.79	0.21	1.0
+PredictorDescriptorDataset_133	True	1	0.41	0.59	1.0
+PredictorDescriptorDataset_046	False	1	0.3	0.7	1.0
+PredictorDescriptorDataset_113	True	1	0.46	0.54	1.0
+PredictorDescriptorDataset_036	False	0	0.52	0.48	1.0
+PredictorDescriptorDataset_146	False	0	0.62	0.38	1.0
+PredictorDescriptorDataset_179	False	0	0.56	0.44	1.0
+PredictorDescriptorDataset_153	False	1	0.47	0.53	1.0
+PredictorDescriptorDataset_028	True	0	0.72	0.28	1.0
+PredictorDescriptorDataset_023	True	0	0.54	0.46	1.0
+PredictorDescriptorDataset_151	True	0	0.73	0.27	1.0
+PredictorDescriptorDataset_109	False	0	0.58	0.42	1.0
+PredictorDescriptorDataset_080	True	0	0.69	0.31	1.0
+PredictorDescriptorDataset_047	True	0	0.5	0.5	1.0
+PredictorDescriptorDataset_007	True	1	0.49	0.51	1.0
+PredictorDescriptorDataset_176	False	0	0.56	0.44	1.0
+PredictorDescriptorDataset_008	False	0	0.81	0.19	1.0
+PredictorDescriptorDataset_072	False	0	0.82	0.18	1.0
+PredictorDescriptorDataset_054	False	0	0.55	0.45	1.0
+PredictorDescriptorDataset_196	False	0	0.59	0.41	1.0
+PredictorDescriptorDataset_192	False	0	0.64	0.36	1.0
+PredictorDescriptorDataset_158	False	1	0.41	0.59	1.0
+PredictorDescriptorDataset_188	False	0	0.66	0.34	1.0
+PredictorDescriptorDataset_052	True	0	0.5	0.5	1.0
+PredictorDescriptorDataset_117	False	1	0.39	0.61	1.0
+PredictorDescriptorDataset_199	False	0	0.54	0.46	1.0
+PredictorDescriptorDataset_184	True	0	0.59	0.41	2.0
+PredictorDescriptorDataset_056	False	0	0.5	0.5	2.0
+PredictorDescriptorDataset_035	False	0	0.51	0.49	2.0
+PredictorDescriptorDataset_042	False	0	0.61	0.39	2.0
+PredictorDescriptorDataset_136	False	0	0.7	0.3	2.0
+PredictorDescriptorDataset_115	False	0	0.71	0.29	2.0
+PredictorDescriptorDataset_002	False	0	0.79	0.21	2.0
+PredictorDescriptorDataset_077	True	0	0.53	0.47	2.0
+PredictorDescriptorDataset_139	False	1	0.44	0.56	2.0
+PredictorDescriptorDataset_022	False	0	0.56	0.44	2.0
+PredictorDescriptorDataset_195	False	0	0.71	0.29	2.0
+PredictorDescriptorDataset_144	True	0	0.69	0.31	2.0
+PredictorDescriptorDataset_062	True	0	0.64	0.36	2.0
+PredictorDescriptorDataset_000	True	0	0.59	0.41	2.0
+PredictorDescriptorDataset_044	True	1	0.44	0.56	2.0
+PredictorDescriptorDataset_156	False	0	0.66	0.34	2.0
+PredictorDescriptorDataset_082	True	1	0.49	0.51	2.0
+PredictorDescriptorDataset_043	True	1	0.44	0.56	2.0
+PredictorDescriptorDataset_053	True	0	0.69	0.31	2.0
+PredictorDescriptorDataset_034	True	1	0.44	0.56	2.0
+PredictorDescriptorDataset_084	False	0	0.73	0.27	2.0
+PredictorDescriptorDataset_090	False	0	0.59	0.41	2.0
+PredictorDescriptorDataset_171	False	1	0.43	0.57	2.0
+PredictorDescriptorDataset_017	False	1	0.21	0.79	2.0
+PredictorDescriptorDataset_175	True	0	0.6	0.4	2.0
+PredictorDescriptorDataset_063	False	0	0.62	0.38	2.0
+PredictorDescriptorDataset_021	True	0	0.61	0.39	2.0
+PredictorDescriptorDataset_161	True	0	0.65	0.35	2.0
+PredictorDescriptorDataset_131	False	1	0.47	0.53	2.0
+PredictorDescriptorDataset_074	False	0	0.59	0.41	2.0
+PredictorDescriptorDataset_107	False	0	0.66	0.34	2.0
+PredictorDescriptorDataset_180	True	1	0.43	0.57	2.0
+PredictorDescriptorDataset_143	True	1	0.48	0.52	3.0
+PredictorDescriptorDataset_029	False	0	0.54	0.46	3.0
+PredictorDescriptorDataset_019	False	1	0.45	0.55	3.0
+PredictorDescriptorDataset_170	True	1	0.38	0.62	3.0
+PredictorDescriptorDataset_128	False	0	0.58	0.42	3.0
+PredictorDescriptorDataset_114	True	1	0.48	0.52	3.0
+PredictorDescriptorDataset_172	False	0	0.78	0.22	3.0
+PredictorDescriptorDataset_110	False	0	0.81	0.19	3.0
+PredictorDescriptorDataset_026	False	0	0.75	0.25	3.0
+PredictorDescriptorDataset_166	True	1	0.49	0.51	3.0
+PredictorDescriptorDataset_186	False	1	0.27	0.73	3.0
+PredictorDescriptorDataset_061	True	1	0.36	0.64	3.0
+PredictorDescriptorDataset_099	False	0	0.62	0.38	3.0
+PredictorDescriptorDataset_159	False	0	0.65	0.35	3.0
+PredictorDescriptorDataset_101	True	0	0.74	0.26	3.0
+PredictorDescriptorDataset_070	False	1	0.44	0.56	3.0
+PredictorDescriptorDataset_064	False	1	0.45	0.55	3.0
+PredictorDescriptorDataset_126	False	0	0.78	0.22	3.0
+PredictorDescriptorDataset_025	False	1	0.45	0.55	3.0
+PredictorDescriptorDataset_147	True	0	0.54	0.46	3.0
+PredictorDescriptorDataset_168	False	1	0.34	0.66	3.0
+PredictorDescriptorDataset_095	False	1	0.34	0.66	3.0
+PredictorDescriptorDataset_157	False	0	0.54	0.46	3.0
+PredictorDescriptorDataset_181	False	1	0.38	0.62	3.0
+PredictorDescriptorDataset_013	True	0	0.55	0.45	3.0
+PredictorDescriptorDataset_059	False	1	0.33	0.67	3.0
+PredictorDescriptorDataset_135	False	0	0.61	0.39	3.0
+PredictorDescriptorDataset_183	True	0	0.58	0.42	3.0
+PredictorDescriptorDataset_037	True	0	0.64	0.36	3.0
+PredictorDescriptorDataset_001	True	0	0.51	0.49	3.0
+PredictorDescriptorDataset_152	True	0	0.53	0.47	3.0
+PredictorDescriptorDataset_104	True	1	0.44	0.56	3.0
+PredictorDescriptorDataset_038	False	0	0.62	0.38	4.0
+PredictorDescriptorDataset_094	False	0	0.89	0.11	4.0
+PredictorDescriptorDataset_141	False	0	0.57	0.43	4.0
+PredictorDescriptorDataset_031	False	0	0.6	0.4	4.0
+PredictorDescriptorDataset_098	True	0	0.6	0.4	4.0
+PredictorDescriptorDataset_163	True	1	0.47	0.53	4.0
+PredictorDescriptorDataset_033	True	0	0.6	0.4	4.0
+PredictorDescriptorDataset_194	False	0	0.52	0.48	4.0
+PredictorDescriptorDataset_006	True	1	0.41	0.59	4.0
+PredictorDescriptorDataset_004	True	0	0.53	0.47	4.0
+PredictorDescriptorDataset_032	True	0	0.52	0.48	4.0
+PredictorDescriptorDataset_010	False	0	0.79	0.21	4.0
+PredictorDescriptorDataset_120	True	0	0.51	0.49	4.0
+PredictorDescriptorDataset_182	True	0	0.6	0.4	4.0
+PredictorDescriptorDataset_085	False	1	0.24	0.76	4.0
+PredictorDescriptorDataset_039	False	0	0.77	0.23	4.0
+PredictorDescriptorDataset_154	True	0	0.63	0.37	4.0
+PredictorDescriptorDataset_198	False	0	0.74	0.26	4.0
+PredictorDescriptorDataset_049	True	0	0.56	0.44	4.0
+PredictorDescriptorDataset_081	True	0	0.56	0.44	4.0
+PredictorDescriptorDataset_111	False	0	0.61	0.39	4.0
+PredictorDescriptorDataset_092	True	1	0.44	0.56	4.0
+PredictorDescriptorDataset_132	True	0	0.65	0.35	4.0
+PredictorDescriptorDataset_167	True	0	0.67	0.33	4.0
+PredictorDescriptorDataset_048	False	0	0.62	0.38	4.0
+PredictorDescriptorDataset_089	True	0	0.7	0.3	4.0
+PredictorDescriptorDataset_057	False	1	0.49	0.51	4.0
+PredictorDescriptorDataset_122	True	0	0.63	0.37	4.0
+PredictorDescriptorDataset_071	False	1	0.49	0.51	4.0
+PredictorDescriptorDataset_093	True	0	0.67	0.33	4.0
+PredictorDescriptorDataset_103	False	0	0.86	0.14	4.0
diff --git a/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv
new file mode 100644
index 00000000..c42d1777
--- /dev/null
+++ b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.ind.tsv
@@ -0,0 +1,41 @@
+QSPRID	CL_Label	CL_Prediction	CL_ProbabilityClass_0	CL_ProbabilityClass_1
+PredictorDescriptorDataset_083	False	0	0.73	0.27
+PredictorDescriptorDataset_015	False	0	0.5	0.5
+PredictorDescriptorDataset_112	False	0	0.66	0.34
+PredictorDescriptorDataset_178	True	1	0.46	0.54
+PredictorDescriptorDataset_076	False	1	0.41	0.59
+PredictorDescriptorDataset_164	False	0	0.77	0.23
+PredictorDescriptorDataset_068	True	1	0.48	0.52
+PredictorDescriptorDataset_067	False	0	0.52	0.48
+PredictorDescriptorDataset_121	False	0	0.71	0.29
+PredictorDescriptorDataset_174	False	1	0.47	0.53
+PredictorDescriptorDataset_177	True	0	0.51	0.49
+PredictorDescriptorDataset_149	True	0	0.5	0.5
+PredictorDescriptorDataset_065	True	0	0.52	0.48
+PredictorDescriptorDataset_030	True	1	0.43	0.57
+PredictorDescriptorDataset_087	False	0	0.76	0.24
+PredictorDescriptorDataset_086	False	0	0.77	0.23
+PredictorDescriptorDataset_055	False	1	0.34	0.66
+PredictorDescriptorDataset_060	True	1	0.13	0.87
+PredictorDescriptorDataset_091	False	0	0.52	0.48
+PredictorDescriptorDataset_160	False	0	0.62	0.38
+PredictorDescriptorDataset_016	True	0	0.72	0.28
+PredictorDescriptorDataset_125	True	0	0.51	0.49
+PredictorDescriptorDataset_097	True	1	0.47	0.53
+PredictorDescriptorDataset_173	True	1	0.36	0.64
+PredictorDescriptorDataset_066	True	0	0.59	0.41
+PredictorDescriptorDataset_190	False	1	0.28	0.72
+PredictorDescriptorDataset_148	False	1	0.48	0.52
+PredictorDescriptorDataset_009	True	1	0.31	0.69
+PredictorDescriptorDataset_018	False	1	0.49	0.51
+PredictorDescriptorDataset_129	False	0	0.77	0.23
+PredictorDescriptorDataset_191	False	1	0.4	0.6
+PredictorDescriptorDataset_045	False	0	0.56	0.44
+PredictorDescriptorDataset_193	True	0	0.64	0.36
+PredictorDescriptorDataset_165	False	1	0.49	0.51
+PredictorDescriptorDataset_102	False	0	0.72	0.28
+PredictorDescriptorDataset_069	True	0	0.61	0.39
+PredictorDescriptorDataset_127	False	0	0.66	0.34
+PredictorDescriptorDataset_124	True	1	0.42	0.58
+PredictorDescriptorDataset_075	False	0	0.51	0.49
+PredictorDescriptorDataset_079	False	0	0.53	0.47
diff --git a/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json
new file mode 100644
index 00000000..1e4c72a3
--- /dev/null
+++ b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS.json
@@ -0,0 +1 @@
+{"meta": "rf", "max_depth": null, "min_samples_split": 2, "min_samples_leaf": 1, "min_weight_fraction_leaf": 0.0, "max_features": "sqrt", "max_leaf_nodes": null, "min_impurity_decrease": 0.0, "n_features_in_": 2048, "n_outputs_": 1, "estimators_": [{"meta": "decision-tree", "feature_importances_": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.017588383838383837, 0.0, 0.0, 0.0, 0.0, 0.0, 0.011964886964886965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 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diff --git a/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json
new file mode 100644
index 00000000..49e1402b
--- /dev/null
+++ b/qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json
@@ -0,0 +1,4153 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "RFC_SINGLECLASS",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "CL",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
+                            }
+                        ]
+                    },
+                    "_th": [
+                        6.5
+                    ],
+                    "_nClasses": 2,
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.fingerprints.MorganFP",
+                "py/state": {
+                    "idProp": "QSPRID",
+                    "_usedBits": [
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+                        "MorganFP_1717",
+                        "MorganFP_1718",
+                        "MorganFP_1719",
+                        "MorganFP_1720",
+                        "MorganFP_1721",
+                        "MorganFP_1722",
+                        "MorganFP_1723",
+                        "MorganFP_1724",
+                        "MorganFP_1725",
+                        "MorganFP_1726",
+                        "MorganFP_1727",
+                        "MorganFP_1728",
+                        "MorganFP_1729",
+                        "MorganFP_1730",
+                        "MorganFP_1731",
+                        "MorganFP_1732",
+                        "MorganFP_1733",
+                        "MorganFP_1734",
+                        "MorganFP_1735",
+                        "MorganFP_1736",
+                        "MorganFP_1737",
+                        "MorganFP_1738",
+                        "MorganFP_1739",
+                        "MorganFP_1740",
+                        "MorganFP_1741",
+                        "MorganFP_1742",
+                        "MorganFP_1743",
+                        "MorganFP_1744",
+                        "MorganFP_1745",
+                        "MorganFP_1746",
+                        "MorganFP_1747",
+                        "MorganFP_1748",
+                        "MorganFP_1749",
+                        "MorganFP_1750",
+                        "MorganFP_1751",
+                        "MorganFP_1752",
+                        "MorganFP_1753",
+                        "MorganFP_1754",
+                        "MorganFP_1755",
+                        "MorganFP_1756",
+                        "MorganFP_1757",
+                        "MorganFP_1758",
+                        "MorganFP_1759",
+                        "MorganFP_1760",
+                        "MorganFP_1761",
+                        "MorganFP_1762",
+                        "MorganFP_1763",
+                        "MorganFP_1764",
+                        "MorganFP_1765",
+                        "MorganFP_1766",
+                        "MorganFP_1767",
+                        "MorganFP_1768",
+                        "MorganFP_1769",
+                        "MorganFP_1770",
+                        "MorganFP_1771",
+                        "MorganFP_1772",
+                        "MorganFP_1773",
+                        "MorganFP_1774",
+                        "MorganFP_1775",
+                        "MorganFP_1776",
+                        "MorganFP_1777",
+                        "MorganFP_1778",
+                        "MorganFP_1779",
+                        "MorganFP_1780",
+                        "MorganFP_1781",
+                        "MorganFP_1782",
+                        "MorganFP_1783",
+                        "MorganFP_1784",
+                        "MorganFP_1785",
+                        "MorganFP_1786",
+                        "MorganFP_1787",
+                        "MorganFP_1788",
+                        "MorganFP_1789",
+                        "MorganFP_1790",
+                        "MorganFP_1791",
+                        "MorganFP_1792",
+                        "MorganFP_1793",
+                        "MorganFP_1794",
+                        "MorganFP_1795",
+                        "MorganFP_1796",
+                        "MorganFP_1797",
+                        "MorganFP_1798",
+                        "MorganFP_1799",
+                        "MorganFP_1800",
+                        "MorganFP_1801",
+                        "MorganFP_1802",
+                        "MorganFP_1803",
+                        "MorganFP_1804",
+                        "MorganFP_1805",
+                        "MorganFP_1806",
+                        "MorganFP_1807",
+                        "MorganFP_1808",
+                        "MorganFP_1809",
+                        "MorganFP_1810",
+                        "MorganFP_1811",
+                        "MorganFP_1812",
+                        "MorganFP_1813",
+                        "MorganFP_1814",
+                        "MorganFP_1815",
+                        "MorganFP_1816",
+                        "MorganFP_1817",
+                        "MorganFP_1818",
+                        "MorganFP_1819",
+                        "MorganFP_1820",
+                        "MorganFP_1821",
+                        "MorganFP_1822",
+                        "MorganFP_1823",
+                        "MorganFP_1824",
+                        "MorganFP_1825",
+                        "MorganFP_1826",
+                        "MorganFP_1827",
+                        "MorganFP_1828",
+                        "MorganFP_1829",
+                        "MorganFP_1830",
+                        "MorganFP_1831",
+                        "MorganFP_1832",
+                        "MorganFP_1833",
+                        "MorganFP_1834",
+                        "MorganFP_1835",
+                        "MorganFP_1836",
+                        "MorganFP_1837",
+                        "MorganFP_1838",
+                        "MorganFP_1839",
+                        "MorganFP_1840",
+                        "MorganFP_1841",
+                        "MorganFP_1842",
+                        "MorganFP_1843",
+                        "MorganFP_1844",
+                        "MorganFP_1845",
+                        "MorganFP_1846",
+                        "MorganFP_1847",
+                        "MorganFP_1848",
+                        "MorganFP_1849",
+                        "MorganFP_1850",
+                        "MorganFP_1851",
+                        "MorganFP_1852",
+                        "MorganFP_1853",
+                        "MorganFP_1854",
+                        "MorganFP_1855",
+                        "MorganFP_1856",
+                        "MorganFP_1857",
+                        "MorganFP_1858",
+                        "MorganFP_1859",
+                        "MorganFP_1860",
+                        "MorganFP_1861",
+                        "MorganFP_1862",
+                        "MorganFP_1863",
+                        "MorganFP_1864",
+                        "MorganFP_1865",
+                        "MorganFP_1866",
+                        "MorganFP_1867",
+                        "MorganFP_1868",
+                        "MorganFP_1869",
+                        "MorganFP_1870",
+                        "MorganFP_1871",
+                        "MorganFP_1872",
+                        "MorganFP_1873",
+                        "MorganFP_1874",
+                        "MorganFP_1875",
+                        "MorganFP_1876",
+                        "MorganFP_1877",
+                        "MorganFP_1878",
+                        "MorganFP_1879",
+                        "MorganFP_1880",
+                        "MorganFP_1881",
+                        "MorganFP_1882",
+                        "MorganFP_1883",
+                        "MorganFP_1884",
+                        "MorganFP_1885",
+                        "MorganFP_1886",
+                        "MorganFP_1887",
+                        "MorganFP_1888",
+                        "MorganFP_1889",
+                        "MorganFP_1890",
+                        "MorganFP_1891",
+                        "MorganFP_1892",
+                        "MorganFP_1893",
+                        "MorganFP_1894",
+                        "MorganFP_1895",
+                        "MorganFP_1896",
+                        "MorganFP_1897",
+                        "MorganFP_1898",
+                        "MorganFP_1899",
+                        "MorganFP_1900",
+                        "MorganFP_1901",
+                        "MorganFP_1902",
+                        "MorganFP_1903",
+                        "MorganFP_1904",
+                        "MorganFP_1905",
+                        "MorganFP_1906",
+                        "MorganFP_1907",
+                        "MorganFP_1908",
+                        "MorganFP_1909",
+                        "MorganFP_1910",
+                        "MorganFP_1911",
+                        "MorganFP_1912",
+                        "MorganFP_1913",
+                        "MorganFP_1914",
+                        "MorganFP_1915",
+                        "MorganFP_1916",
+                        "MorganFP_1917",
+                        "MorganFP_1918",
+                        "MorganFP_1919",
+                        "MorganFP_1920",
+                        "MorganFP_1921",
+                        "MorganFP_1922",
+                        "MorganFP_1923",
+                        "MorganFP_1924",
+                        "MorganFP_1925",
+                        "MorganFP_1926",
+                        "MorganFP_1927",
+                        "MorganFP_1928",
+                        "MorganFP_1929",
+                        "MorganFP_1930",
+                        "MorganFP_1931",
+                        "MorganFP_1932",
+                        "MorganFP_1933",
+                        "MorganFP_1934",
+                        "MorganFP_1935",
+                        "MorganFP_1936",
+                        "MorganFP_1937",
+                        "MorganFP_1938",
+                        "MorganFP_1939",
+                        "MorganFP_1940",
+                        "MorganFP_1941",
+                        "MorganFP_1942",
+                        "MorganFP_1943",
+                        "MorganFP_1944",
+                        "MorganFP_1945",
+                        "MorganFP_1946",
+                        "MorganFP_1947",
+                        "MorganFP_1948",
+                        "MorganFP_1949",
+                        "MorganFP_1950",
+                        "MorganFP_1951",
+                        "MorganFP_1952",
+                        "MorganFP_1953",
+                        "MorganFP_1954",
+                        "MorganFP_1955",
+                        "MorganFP_1956",
+                        "MorganFP_1957",
+                        "MorganFP_1958",
+                        "MorganFP_1959",
+                        "MorganFP_1960",
+                        "MorganFP_1961",
+                        "MorganFP_1962",
+                        "MorganFP_1963",
+                        "MorganFP_1964",
+                        "MorganFP_1965",
+                        "MorganFP_1966",
+                        "MorganFP_1967",
+                        "MorganFP_1968",
+                        "MorganFP_1969",
+                        "MorganFP_1970",
+                        "MorganFP_1971",
+                        "MorganFP_1972",
+                        "MorganFP_1973",
+                        "MorganFP_1974",
+                        "MorganFP_1975",
+                        "MorganFP_1976",
+                        "MorganFP_1977",
+                        "MorganFP_1978",
+                        "MorganFP_1979",
+                        "MorganFP_1980",
+                        "MorganFP_1981",
+                        "MorganFP_1982",
+                        "MorganFP_1983",
+                        "MorganFP_1984",
+                        "MorganFP_1985",
+                        "MorganFP_1986",
+                        "MorganFP_1987",
+                        "MorganFP_1988",
+                        "MorganFP_1989",
+                        "MorganFP_1990",
+                        "MorganFP_1991",
+                        "MorganFP_1992",
+                        "MorganFP_1993",
+                        "MorganFP_1994",
+                        "MorganFP_1995",
+                        "MorganFP_1996",
+                        "MorganFP_1997",
+                        "MorganFP_1998",
+                        "MorganFP_1999",
+                        "MorganFP_2000",
+                        "MorganFP_2001",
+                        "MorganFP_2002",
+                        "MorganFP_2003",
+                        "MorganFP_2004",
+                        "MorganFP_2005",
+                        "MorganFP_2006",
+                        "MorganFP_2007",
+                        "MorganFP_2008",
+                        "MorganFP_2009",
+                        "MorganFP_2010",
+                        "MorganFP_2011",
+                        "MorganFP_2012",
+                        "MorganFP_2013",
+                        "MorganFP_2014",
+                        "MorganFP_2015",
+                        "MorganFP_2016",
+                        "MorganFP_2017",
+                        "MorganFP_2018",
+                        "MorganFP_2019",
+                        "MorganFP_2020",
+                        "MorganFP_2021",
+                        "MorganFP_2022",
+                        "MorganFP_2023",
+                        "MorganFP_2024",
+                        "MorganFP_2025",
+                        "MorganFP_2026",
+                        "MorganFP_2027",
+                        "MorganFP_2028",
+                        "MorganFP_2029",
+                        "MorganFP_2030",
+                        "MorganFP_2031",
+                        "MorganFP_2032",
+                        "MorganFP_2033",
+                        "MorganFP_2034",
+                        "MorganFP_2035",
+                        "MorganFP_2036",
+                        "MorganFP_2037",
+                        "MorganFP_2038",
+                        "MorganFP_2039",
+                        "MorganFP_2040",
+                        "MorganFP_2041",
+                        "MorganFP_2042",
+                        "MorganFP_2043",
+                        "MorganFP_2044",
+                        "MorganFP_2045",
+                        "MorganFP_2046",
+                        "MorganFP_2047"
+                    ]
+                }
+            }
+        ],
+        "featureStandardizer": null,
+        "earlyStopping": null,
+        "parameters": {
+            "random_state": 42
+        },
+        "alg": "sklearn.ensemble._forest.RandomForestClassifier",
+        "randomState": 42,
+        "estimator": "./RFC_SINGLECLASS/RFC_SINGLECLASS.json"
+    }
+}
\ No newline at end of file
diff --git a/qsprpred/utils/tests.py b/qsprpred/utils/tests.py
new file mode 100644
index 00000000..6e72a1b1
--- /dev/null
+++ b/qsprpred/utils/tests.py
@@ -0,0 +1,94 @@
+import time
+from concurrent import futures
+
+from parameterized import parameterized
+
+from .parallel import parallel_jit_generator, batched_generator
+from .testing.base import QSPRTestCase
+
+
+class TestParallel(QSPRTestCase):
+
+    @staticmethod
+    def func(x):
+        return x**2
+
+    @staticmethod
+    def func_batched(x):
+        return [i**2 for i in x]
+
+    @staticmethod
+    def func_timeout(x):
+        time.sleep(x)
+        return x**2
+
+    @staticmethod
+    def func_args(x, *args, **kwargs):
+        return x, args, kwargs
+
+    @parameterized.expand([
+        (None, "multiprocessing"),
+        (1, "pebble"),
+    ])
+    def test_simple(self, timeout, pool_type):
+        generator = (x for x in range(10))
+        self.assertListEqual(
+            [0, 1, 4, 9, 16, 25, 36, 49, 64, 81],
+            list(parallel_jit_generator(
+                    generator,
+                    self.func,
+                    self.nCPU,
+                    pool_type=pool_type,
+                    timeout=timeout,
+                 ))
+        )
+
+    @parameterized.expand([
+        (None, "multiprocessing"),
+        (1, "pebble"),
+    ])
+    def test_batched(self, timeout, pool_type):
+        generator = batched_generator(range(10), 2)
+        self.assertListEqual(
+            [[0, 1], [4, 9], [16, 25], [36, 49], [64, 81]],
+            list(parallel_jit_generator(
+                generator,
+                self.func_batched,
+                self.nCPU,
+                pool_type,
+                timeout=timeout,
+            ))
+        )
+
+    def test_timeout(self):
+        generator = (x for x in [1, 2, 10])
+        timeout = 4
+        result = list(parallel_jit_generator(
+            generator,
+            self.func_timeout,
+            self.nCPU,
+            pool_type="pebble",
+            timeout=timeout
+        ))
+        self.assertListEqual([1, 4], result[0:-1])
+        self.assertIsInstance(result[-1], futures.TimeoutError)
+        self.assertTrue(str(timeout) in str(result[-1]))
+
+    @parameterized.expand([
+        ((0,), {"A": 1}),
+        (None, {"A": 1}),
+        ((0,), None),
+    ])
+    def test_arguments(self, args, kwargs):
+        generator = (x for x in range(10))
+        for idx, result in enumerate(parallel_jit_generator(
+            generator,
+            self.func_args,
+            self.nCPU,
+            args=args,
+            kwargs=kwargs,
+        )):
+            self.assertEqual(
+                (idx, args if args else (), kwargs if kwargs else {}),
+                result
+            )
diff --git a/style.sh b/style.sh
index ad1cdc37..36820ea7 100755
--- a/style.sh
+++ b/style.sh
@@ -10,7 +10,6 @@ function format_qspr {
     ruff --config "${QSPR}/pyproject.toml" "$1"
 }
 
-
 # check if argument is given
 if [ $# -eq 0 ]; then
     echo "No arguments supplied"
diff --git a/testing/README.md b/testing/README.md
new file mode 100644
index 00000000..e4e21641
--- /dev/null
+++ b/testing/README.md
@@ -0,0 +1,20 @@
+# Testing  QSPRpred
+
+This is the directory to run various tests on QSPRpred. You can run all tests with
+the [`./run.sh`](./run.sh) script. There are a couple environment variables that you can
+set to control which tests are run and how:
+
+- `QSPPRED_TEST_TUTORIAL`: Whether to run all tutorial code. Default: `true`.
+- `QSPPRED_TEST_SPLIT_UNITS`: Whether to run all unit tests at once or split them to
+  smaller chunks. Default: `false`. This is mainly to prevent memory hogging on GitLab
+  runners.
+- `QSPPRED_TEST_EXTRAS`: Whether to run unit tests for the `qsprpred.extra` module as
+  well. Default: `true`.
+
+All tests should be located in a folder with the `test_` prefix and have their
+own `run.sh` script that can be used to run them individually or modify behavior.
+
+A Docker-based test runner is also provided in [`./runner`](./runner). This can be used
+to run the whole test pipeline locally for given git tags or commits. It is a
+replacement for when CI runners are not available. See the
+[README](./runner/README.md) for more information.
\ No newline at end of file
diff --git a/testing/run.sh b/testing/run.sh
new file mode 100755
index 00000000..736e9497
--- /dev/null
+++ b/testing/run.sh
@@ -0,0 +1,15 @@
+#!/bin/bash
+
+set -e
+
+WD=$(pwd)
+export QSPPRED_TEST_TUTORIAL=${QSPPRED_TEST_TUTORIAL:-true}
+echo "Setting QSPPRED_TEST_TUTORIAL=$QSPPRED_TEST_TUTORIAL"
+
+cd test_pytest && ./run.sh && cd "$WD"
+cd test_cli && ./run.sh && cd "$WD"
+cd test_tutorial && ./prepare.sh && cd "$WD"
+cd test_consistency && ./run.sh && cd "$WD"
+if [ "$QSPPRED_TEST_TUTORIAL" == "true" ]; then
+  cd test_tutorial && ./run.sh && cd "$WD"
+fi
\ No newline at end of file
diff --git a/testing/runner/.gitignore b/testing/runner/.gitignore
new file mode 100644
index 00000000..47b70ed1
--- /dev/null
+++ b/testing/runner/.gitignore
@@ -0,0 +1,3 @@
+logs/*
+*.out
+.env
diff --git a/testing/runner/Dockerfile b/testing/runner/Dockerfile
new file mode 100644
index 00000000..f2bed486
--- /dev/null
+++ b/testing/runner/Dockerfile
@@ -0,0 +1,25 @@
+ARG BASE_IMAGE_TAG=${BASE_IMAGE_TAG}
+
+FROM nvidia/cuda:${BASE_IMAGE_TAG}
+
+# install packages
+RUN apt-get update && apt-get install -y --no-install-recommends wget git libxrender1 libxext-dev && rm -rf /var/lib/apt/lists/*
+
+# install miniconda
+RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh && \
+    bash Miniconda3-latest-Linux-x86_64.sh -b -p /opt/conda && \
+    rm Miniconda3-latest-Linux-x86_64.sh
+
+# create user
+RUN useradd -m test-runner
+
+ENV PATH /opt/conda/bin:$PATH
+
+# copy entrypoint
+COPY entrypoint.sh /entrypoint.sh
+
+# copy test files
+
+COPY --chown=test-runner:test-runner tests.sh /home/test-runner/tests.sh
+
+WORKDIR /home/test-runner
diff --git a/testing/runner/README.md b/testing/runner/README.md
new file mode 100644
index 00000000..f2331ae7
--- /dev/null
+++ b/testing/runner/README.md
@@ -0,0 +1,35 @@
+# Docker Test Runner
+
+Run unit and other tests for in GPU-enabled Docker containers.
+
+```bash
+# define important variables
+export NVIDIA_VISIBLE_DEVICES=0 # ids of the GPUs to use
+export BASE_IMAGE_TAG="12.0.1-cudnn8-runtime-ubuntu22.04" # cuda base image tag, translated to nvidia/cuda:12.0.1-cudnn8-runtime-ubuntu22.04
+export PYTHON_VERSION="3.10" # python version for the conda base environment
+export QSPRPRED_REPO="https://<username>:<access-token>@your_hosting_service.com/QSPRPred.git"
+export QSPRPRED_REVISION="main" # can be branch, commit ID or a tag
+
+# spawn a runner with the given settings
+./runner.sh # make sure you are in the 'docker' group so that you have correct permissions
+```
+
+A few tips:
+
+- Access tokens can be generated in GitLab under `Settings > Access Tokens` separately
+  for your user account and for each project. You can also adjust permissions to
+  read-only for testing.
+- Use any repo URLs format that git will understand, but remember the docker image will
+  not have access to your ssh keys by default.
+- You can customize the [`tests.sh`](./tests.sh) script to change what tests to run or
+  do other stuff inside the runner container.
+- When you run the `runner.sh` script logs are saved to the `logs` folder in the current
+  directory.
+- It is possible to permanently set the environment variables in a `.env` file that you
+  can save in this directory. In this case, it would have the following contents:
+
+    ```bash
+    NVIDIA_VISIBLE_DEVICES=0
+    QSPRPRED_REPO=https://<gitlab-username>:<access-token>@<gitlab-repo-url>
+    QSPRPRED_REVISION=main
+    ```
\ No newline at end of file
diff --git a/testing/runner/docker-compose.yml b/testing/runner/docker-compose.yml
new file mode 100644
index 00000000..8fc4fd72
--- /dev/null
+++ b/testing/runner/docker-compose.yml
@@ -0,0 +1,33 @@
+# Use root/example as user/password credentials
+version: '3.1'
+
+services:
+
+  qsprpred-test-runner:
+    image: qsprpred-test-runner-${TIMESTAMP:-timestamp}:latest
+    logging:
+        driver: journald
+        options:
+            tag: qsprpred-test-runner-${TIMESTAMP:-timestamp}
+    build:
+      context: .
+      dockerfile: Dockerfile
+      args:
+        - BASE_IMAGE_TAG=${BASE_IMAGE_TAG}
+    container_name: ${CONTAINER_NAME}-python${PYTHON_VERSION}-${TIMESTAMP:-timestamp}
+    entrypoint: /entrypoint.sh
+    command: bash tests.sh
+    environment:
+      - NVIDIA_VISIBLE_DEVICES=${NVIDIA_VISIBLE_DEVICES}
+      - PYTHON_VERSION=${PYTHON_VERSION}
+      - QSPRPRED_REPO=${QSPRPRED_REPO}
+      - QSPRPRED_REVISION=${QSPRPRED_REVISION}
+      - RUNNER_NAME=${CONTAINER_NAME}-python${PYTHON_VERSION}-${TIMESTAMP:-timestamp}
+    deploy:
+      resources:
+        reservations:
+          devices:
+            - driver: nvidia
+              capabilities: [ gpu ]
+
+
diff --git a/testing/runner/entrypoint.sh b/testing/runner/entrypoint.sh
new file mode 100755
index 00000000..f89dc907
--- /dev/null
+++ b/testing/runner/entrypoint.sh
@@ -0,0 +1,7 @@
+#!/bin/bash
+
+set -e
+
+exec runuser -u  test-runner -- "$@"
+
+
diff --git a/testing/runner/runner.sh b/testing/runner/runner.sh
new file mode 100755
index 00000000..b4f84a24
--- /dev/null
+++ b/testing/runner/runner.sh
@@ -0,0 +1,14 @@
+#!/bin/bash
+
+export TIMESTAMP=$(date +%Y%m%d%H%M%S)
+
+docker-compose -p "test-runner-${TIMESTAMP}" rm -f
+echo "Spawning Runner... TIMESTAMP=${TIMESTAMP}"
+mkdir -p logs
+docker-compose -p "test-runner-${TIMESTAMP}" config >> "logs/${TIMESTAMP}.log"
+docker-compose -p "test-runner-${TIMESTAMP}" up --force-recreate
+docker-compose -p "test-runner-${TIMESTAMP}" logs >> "logs/${TIMESTAMP}.log"
+echo "Logs saved in logs/${TIMESTAMP}.log"
+echo "Cleaning up..."
+docker-compose -p "test-runner-${TIMESTAMP}" rm -f
+docker image rm "qsprpred-test-runner-${TIMESTAMP}"
diff --git a/testing/runner/tests.sh b/testing/runner/tests.sh
new file mode 100755
index 00000000..4beb4f8f
--- /dev/null
+++ b/testing/runner/tests.sh
@@ -0,0 +1,33 @@
+#!/bin/bash
+
+set -e
+
+CONDA_ROOT=/opt/conda/bin
+ACTIVATE_CMD="source ${CONDA_ROOT}/activate"
+ENV_NAME="qsprpred"
+RUN_CMD="${ACTIVATE_CMD} && conda activate ${ENV_NAME}"
+WD=`pwd`
+
+# setting up environments
+echo "Creating environment: ${ENV_NAME}"
+bash -c "${ACTIVATE_CMD} && conda create -n ${ENV_NAME} python=${PYTHON_VERSION}"
+bash -c "${RUN_CMD} && conda install -c bioconda clustalo"
+bash -c "${RUN_CMD} && conda install -c biocore mafft"
+bash -c "${RUN_CMD} && conda install cudatoolkit"
+bash -c "${RUN_CMD} && pip install cupy-cuda11x" # FIXME: do not hardcode version here
+bash -c "${RUN_CMD} && pip install jupyterlab pytest"
+git clone "${QSPRPRED_REPO}"
+cd QSPRpred
+git checkout "${QSPRPRED_REVISION}"
+bash -c "${RUN_CMD} && pip install .[full]"
+echo "Checking for CUDA..."
+bash -c "${RUN_CMD} && python -c 'import torch; print(torch.cuda.is_available())'"
+echo "Checking for qsprpred version..."
+bash -c "${RUN_CMD} && python -c 'import qsprpred; print(qsprpred.__version__)'"
+
+# running tests
+echo "Running tests..."
+cd testing
+bash -c "${RUN_CMD} && ./run.sh"
+
+echo "All tests finished successfully. Exiting..."
diff --git a/clitest/data/search_space/search_space_test.json b/testing/test_cli/data/search_space/search_space_test.json
similarity index 100%
rename from clitest/data/search_space/search_space_test.json
rename to testing/test_cli/data/search_space/search_space_test.json
diff --git a/clitest/data/test_data_large.tsv b/testing/test_cli/data/test_data_large.tsv
similarity index 100%
rename from clitest/data/test_data_large.tsv
rename to testing/test_cli/data/test_data_large.tsv
diff --git a/clitest/run.sh b/testing/test_cli/run.sh
similarity index 86%
rename from clitest/run.sh
rename to testing/test_cli/run.sh
index da00128d..79c1fe07 100755
--- a/clitest/run.sh
+++ b/testing/test_cli/run.sh
@@ -6,7 +6,7 @@ export PYTHONPATH=".."
 
 # input data and base directory
 export TEST_BASE="."
-export TEST_DATA='data/test_data_large.tsv'
+export TEST_DATA="${TEST_BASE}/data/test_data_large.tsv"
 
 function cleanup() {
   rm -rf ${TEST_BASE}/data/backup_*;
@@ -45,7 +45,7 @@ python -m qsprpred.data_CLI \
 -st 2000 \
 -fe Morgan \
 -fe RDkit \
--pd ../qsprpred/data/test_files/test_predictor/qspr/models/SVC_MULTICLASS/SVC_MULTICLASS_meta.json \
+-pd ../../qsprpred/utils/testing/test_files/test_predictor/RFC_SINGLECLASS/RFC_SINGLECLASS_meta.json \
 -lv 0.01 \
 -hc 0.9 \
 -fv 0.0
@@ -56,7 +56,7 @@ python -m qsprpred.data_CLI \
 python -m qsprpred.model_CLI \
 -o ${TEST_BASE}/qspr/models \
 -de \
--dp ${TEST_BASE}/qspr/data/CL_fu_SINGLECLASS_df.pkl \
+-dp ${TEST_BASE}/qspr/data/CL_fu_SINGLECLASS/CL_fu_SINGLECLASS_meta.json \
 -ncpu ${N_CPUS} \
 --model_types RF \
 -s \
diff --git a/testing/test_consistency/.gitignore b/testing/test_consistency/.gitignore
new file mode 100644
index 00000000..249cda96
--- /dev/null
+++ b/testing/test_consistency/.gitignore
@@ -0,0 +1 @@
+/data
\ No newline at end of file
diff --git a/testing/test_consistency/check_results.py b/testing/test_consistency/check_results.py
new file mode 100644
index 00000000..93dc047f
--- /dev/null
+++ b/testing/test_consistency/check_results.py
@@ -0,0 +1,86 @@
+"""
+This is a simple script to check that the results of the tutorial match the
+expected results. It is not part of the tutorial itself, but is used by the
+CI/CD pipeline to check that the tutorial is up-to-date and that the models
+are consistent with previous ones.
+"""
+import json
+import os
+import sys
+import traceback
+
+import numpy as np
+import pandas as pd
+
+models_base = "./data/models"
+
+success = True
+failed_files = []
+for f in os.listdir("expected"):
+    for type in ["ind", "cv"]:
+        file_name = f"{f}.{type}.tsv"
+        try:
+            print(f"Comparing file contents of {file_name}")
+            relative_file_path = f"{f}/{file_name}"
+
+            expected_file_path = f"expected/{relative_file_path}"
+            actual_file_path = f"{models_base}/{relative_file_path}"
+
+            expected_values = (
+                pd.read_csv(expected_file_path, sep="\t")
+                .set_index("QSPRID", drop=True)
+                .sort_index()
+            )
+            actual_values = (
+                pd.read_csv(actual_file_path, sep="\t")
+                .set_index("QSPRID", drop=True)
+                .sort_index()
+            )
+            assert expected_values.columns.equals(
+                actual_values.columns
+            ), f"Column names do not match for file {file_name}."
+            assert expected_values.index.equals(
+                actual_values.index
+            ), f"Index values do not match for file {file_name}."
+            try:
+                assert expected_values.equals(
+                    actual_values
+                ), f"Values do not match for file {file_name}."
+            except AssertionError as e:
+                sys.stderr.write(f"Comparison error in values of: {file_name}\n")
+                # check and print which values are different
+                diff = expected_values.compare(actual_values)
+                overviews = []
+                for idx, row in diff.iterrows():
+                    overview = dict()
+                    for col in diff.columns:
+                        name = col[0]
+                        if name not in overview:
+                            overview[name] = {"idx": idx}
+                        if col[1] == "self":
+                            overview[name]["expected"] = row[col]
+                        else:
+                            overview[name]["true"] = row[col]
+                    overview = {
+                        k: v
+                        for k, v in overview.items()
+                        if not (np.isnan(v["true"]) and np.isnan(v["expected"]))
+                    }
+                    overviews.append(overview)
+                sys.stderr.write(json.dumps(overviews, indent=4))
+                raise e
+        except AssertionError as e:
+            # print  stack trace
+            traceback.print_exc()
+            success = False
+            failed_files.append(file_name)
+            continue
+
+if not success:
+    sys.stderr.write(
+        "Comparison of benchmark outputs failed! "
+        "One or more files did not match:\n" + "\t\n".join(failed_files) + "\n"
+    )
+    sys.exit(1)
+else:
+    print("Comparison of benchmark outputs successful!")
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv
new file mode 100644
index 00000000..93ddc994
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_004	True	True	0.0
+ConsistencyChecks_011	True	False	0.0
+ConsistencyChecks_076	True	True	0.0
+ConsistencyChecks_236	True	False	0.0
+ConsistencyChecks_026	False	False	0.0
+ConsistencyChecks_093	True	False	0.0
+ConsistencyChecks_089	True	True	0.0
+ConsistencyChecks_196	True	True	0.0
+ConsistencyChecks_169	True	False	0.0
+ConsistencyChecks_000	False	True	0.0
+ConsistencyChecks_023	False	False	0.0
+ConsistencyChecks_262	False	False	0.0
+ConsistencyChecks_103	False	True	0.0
+ConsistencyChecks_129	False	False	0.0
+ConsistencyChecks_206	False	False	0.0
+ConsistencyChecks_277	True	False	0.0
+ConsistencyChecks_134	True	False	0.0
+ConsistencyChecks_062	True	False	0.0
+ConsistencyChecks_185	True	True	0.0
+ConsistencyChecks_091	False	False	0.0
+ConsistencyChecks_215	False	False	0.0
+ConsistencyChecks_295	True	True	0.0
+ConsistencyChecks_137	True	True	0.0
+ConsistencyChecks_258	False	False	0.0
+ConsistencyChecks_153	False	False	0.0
+ConsistencyChecks_037	True	True	0.0
+ConsistencyChecks_275	False	False	0.0
+ConsistencyChecks_226	True	False	0.0
+ConsistencyChecks_108	True	False	0.0
+ConsistencyChecks_235	False	True	0.0
+ConsistencyChecks_018	True	True	0.0
+ConsistencyChecks_201	True	True	0.0
+ConsistencyChecks_216	True	True	0.0
+ConsistencyChecks_213	True	False	0.0
+ConsistencyChecks_127	True	True	0.0
+ConsistencyChecks_131	False	False	0.0
+ConsistencyChecks_092	True	False	0.0
+ConsistencyChecks_045	True	True	0.0
+ConsistencyChecks_028	True	True	0.0
+ConsistencyChecks_210	False	True	0.0
+ConsistencyChecks_130	True	True	0.0
+ConsistencyChecks_248	True	True	0.0
+ConsistencyChecks_219	False	False	0.0
+ConsistencyChecks_121	False	False	0.0
+ConsistencyChecks_096	True	False	0.0
+ConsistencyChecks_234	False	True	0.0
+ConsistencyChecks_171	True	False	0.0
+ConsistencyChecks_008	True	True	0.0
+ConsistencyChecks_063	False	True	1.0
+ConsistencyChecks_261	False	False	1.0
+ConsistencyChecks_180	False	False	1.0
+ConsistencyChecks_218	False	True	1.0
+ConsistencyChecks_066	False	False	1.0
+ConsistencyChecks_172	False	False	1.0
+ConsistencyChecks_191	True	False	1.0
+ConsistencyChecks_152	True	True	1.0
+ConsistencyChecks_090	False	False	1.0
+ConsistencyChecks_157	True	True	1.0
+ConsistencyChecks_003	True	False	1.0
+ConsistencyChecks_168	False	True	1.0
+ConsistencyChecks_020	True	False	1.0
+ConsistencyChecks_038	True	False	1.0
+ConsistencyChecks_116	True	True	1.0
+ConsistencyChecks_139	False	False	1.0
+ConsistencyChecks_039	True	False	1.0
+ConsistencyChecks_181	False	True	1.0
+ConsistencyChecks_239	True	False	1.0
+ConsistencyChecks_284	True	True	1.0
+ConsistencyChecks_001	True	False	1.0
+ConsistencyChecks_085	False	False	1.0
+ConsistencyChecks_156	False	False	1.0
+ConsistencyChecks_125	False	False	1.0
+ConsistencyChecks_043	True	True	1.0
+ConsistencyChecks_214	False	True	1.0
+ConsistencyChecks_237	True	False	1.0
+ConsistencyChecks_041	False	False	1.0
+ConsistencyChecks_022	False	True	1.0
+ConsistencyChecks_055	True	False	1.0
+ConsistencyChecks_240	False	False	1.0
+ConsistencyChecks_084	False	False	1.0
+ConsistencyChecks_268	False	False	1.0
+ConsistencyChecks_243	False	False	1.0
+ConsistencyChecks_274	True	True	1.0
+ConsistencyChecks_029	True	True	1.0
+ConsistencyChecks_100	True	True	1.0
+ConsistencyChecks_251	True	True	1.0
+ConsistencyChecks_154	False	False	1.0
+ConsistencyChecks_183	False	False	1.0
+ConsistencyChecks_042	False	True	1.0
+ConsistencyChecks_267	True	True	1.0
+ConsistencyChecks_086	False	True	1.0
+ConsistencyChecks_060	False	False	1.0
+ConsistencyChecks_198	True	True	1.0
+ConsistencyChecks_052	True	True	1.0
+ConsistencyChecks_057	True	True	1.0
+ConsistencyChecks_211	True	True	1.0
+ConsistencyChecks_010	True	False	2.0
+ConsistencyChecks_229	True	True	2.0
+ConsistencyChecks_111	True	False	2.0
+ConsistencyChecks_056	False	False	2.0
+ConsistencyChecks_115	False	True	2.0
+ConsistencyChecks_161	True	False	2.0
+ConsistencyChecks_088	False	False	2.0
+ConsistencyChecks_142	True	True	2.0
+ConsistencyChecks_162	True	True	2.0
+ConsistencyChecks_194	True	True	2.0
+ConsistencyChecks_167	True	True	2.0
+ConsistencyChecks_054	True	True	2.0
+ConsistencyChecks_220	False	False	2.0
+ConsistencyChecks_187	False	True	2.0
+ConsistencyChecks_197	True	True	2.0
+ConsistencyChecks_294	True	True	2.0
+ConsistencyChecks_098	False	True	2.0
+ConsistencyChecks_174	True	False	2.0
+ConsistencyChecks_140	False	False	2.0
+ConsistencyChecks_260	False	False	2.0
+ConsistencyChecks_177	True	True	2.0
+ConsistencyChecks_170	True	False	2.0
+ConsistencyChecks_242	True	True	2.0
+ConsistencyChecks_264	True	True	2.0
+ConsistencyChecks_189	False	True	2.0
+ConsistencyChecks_202	False	False	2.0
+ConsistencyChecks_199	True	True	2.0
+ConsistencyChecks_033	False	False	2.0
+ConsistencyChecks_297	True	True	2.0
+ConsistencyChecks_221	False	False	2.0
+ConsistencyChecks_123	True	True	2.0
+ConsistencyChecks_044	False	False	2.0
+ConsistencyChecks_269	True	True	2.0
+ConsistencyChecks_164	True	True	2.0
+ConsistencyChecks_087	False	False	2.0
+ConsistencyChecks_280	False	True	2.0
+ConsistencyChecks_145	True	True	2.0
+ConsistencyChecks_249	False	True	2.0
+ConsistencyChecks_071	False	True	2.0
+ConsistencyChecks_296	True	True	2.0
+ConsistencyChecks_053	False	True	2.0
+ConsistencyChecks_046	True	True	2.0
+ConsistencyChecks_281	True	True	2.0
+ConsistencyChecks_227	True	True	2.0
+ConsistencyChecks_285	False	False	2.0
+ConsistencyChecks_079	False	True	2.0
+ConsistencyChecks_002	True	True	2.0
+ConsistencyChecks_212	True	True	2.0
+ConsistencyChecks_005	True	True	3.0
+ConsistencyChecks_141	True	True	3.0
+ConsistencyChecks_006	True	False	3.0
+ConsistencyChecks_224	True	True	3.0
+ConsistencyChecks_299	True	False	3.0
+ConsistencyChecks_009	True	True	3.0
+ConsistencyChecks_228	True	True	3.0
+ConsistencyChecks_286	True	True	3.0
+ConsistencyChecks_190	True	True	3.0
+ConsistencyChecks_298	False	True	3.0
+ConsistencyChecks_179	True	False	3.0
+ConsistencyChecks_283	True	True	3.0
+ConsistencyChecks_124	True	True	3.0
+ConsistencyChecks_252	False	False	3.0
+ConsistencyChecks_128	True	True	3.0
+ConsistencyChecks_259	False	True	3.0
+ConsistencyChecks_014	False	True	3.0
+ConsistencyChecks_077	True	False	3.0
+ConsistencyChecks_021	False	False	3.0
+ConsistencyChecks_255	True	True	3.0
+ConsistencyChecks_117	False	True	3.0
+ConsistencyChecks_035	True	False	3.0
+ConsistencyChecks_290	True	True	3.0
+ConsistencyChecks_256	True	False	3.0
+ConsistencyChecks_291	False	False	3.0
+ConsistencyChecks_192	False	True	3.0
+ConsistencyChecks_204	False	False	3.0
+ConsistencyChecks_272	False	False	3.0
+ConsistencyChecks_016	False	False	3.0
+ConsistencyChecks_133	True	True	3.0
+ConsistencyChecks_203	False	True	3.0
+ConsistencyChecks_015	True	True	3.0
+ConsistencyChecks_246	True	False	3.0
+ConsistencyChecks_238	False	True	3.0
+ConsistencyChecks_094	True	True	3.0
+ConsistencyChecks_112	True	False	3.0
+ConsistencyChecks_270	True	False	3.0
+ConsistencyChecks_105	False	True	3.0
+ConsistencyChecks_278	False	False	3.0
+ConsistencyChecks_013	False	False	3.0
+ConsistencyChecks_135	False	False	3.0
+ConsistencyChecks_070	True	True	3.0
+ConsistencyChecks_147	True	True	3.0
+ConsistencyChecks_110	True	False	3.0
+ConsistencyChecks_186	False	True	3.0
+ConsistencyChecks_232	False	True	3.0
+ConsistencyChecks_047	False	False	3.0
+ConsistencyChecks_282	True	True	3.0
+ConsistencyChecks_069	False	False	4.0
+ConsistencyChecks_148	False	False	4.0
+ConsistencyChecks_155	False	False	4.0
+ConsistencyChecks_222	True	False	4.0
+ConsistencyChecks_178	True	True	4.0
+ConsistencyChecks_024	True	True	4.0
+ConsistencyChecks_109	False	True	4.0
+ConsistencyChecks_051	False	True	4.0
+ConsistencyChecks_132	True	False	4.0
+ConsistencyChecks_209	True	True	4.0
+ConsistencyChecks_027	True	True	4.0
+ConsistencyChecks_176	True	True	4.0
+ConsistencyChecks_265	True	True	4.0
+ConsistencyChecks_225	True	True	4.0
+ConsistencyChecks_173	True	True	4.0
+ConsistencyChecks_017	True	False	4.0
+ConsistencyChecks_143	False	True	4.0
+ConsistencyChecks_200	True	True	4.0
+ConsistencyChecks_166	True	True	4.0
+ConsistencyChecks_074	True	True	4.0
+ConsistencyChecks_263	True	True	4.0
+ConsistencyChecks_205	True	True	4.0
+ConsistencyChecks_163	True	True	4.0
+ConsistencyChecks_118	True	True	4.0
+ConsistencyChecks_019	True	True	4.0
+ConsistencyChecks_030	True	True	4.0
+ConsistencyChecks_289	True	False	4.0
+ConsistencyChecks_067	False	False	4.0
+ConsistencyChecks_231	True	False	4.0
+ConsistencyChecks_114	False	True	4.0
+ConsistencyChecks_245	False	True	4.0
+ConsistencyChecks_149	False	False	4.0
+ConsistencyChecks_040	True	True	4.0
+ConsistencyChecks_049	True	True	4.0
+ConsistencyChecks_182	False	True	4.0
+ConsistencyChecks_025	False	True	4.0
+ConsistencyChecks_184	True	True	4.0
+ConsistencyChecks_061	False	True	4.0
+ConsistencyChecks_106	True	True	4.0
+ConsistencyChecks_271	False	True	4.0
+ConsistencyChecks_083	False	True	4.0
+ConsistencyChecks_144	True	False	4.0
+ConsistencyChecks_159	False	False	4.0
+ConsistencyChecks_138	True	True	4.0
+ConsistencyChecks_080	False	False	4.0
+ConsistencyChecks_250	True	False	4.0
+ConsistencyChecks_050	False	False	4.0
+ConsistencyChecks_217	True	True	4.0
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv
new file mode 100644
index 00000000..baeb3db1
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_193	True	False
+ConsistencyChecks_292	True	True
+ConsistencyChecks_207	True	False
+ConsistencyChecks_288	True	True
+ConsistencyChecks_158	False	False
+ConsistencyChecks_119	True	True
+ConsistencyChecks_160	False	False
+ConsistencyChecks_012	True	True
+ConsistencyChecks_081	True	True
+ConsistencyChecks_102	True	True
+ConsistencyChecks_254	False	True
+ConsistencyChecks_058	True	True
+ConsistencyChecks_266	True	True
+ConsistencyChecks_034	True	True
+ConsistencyChecks_244	True	True
+ConsistencyChecks_151	True	False
+ConsistencyChecks_146	False	False
+ConsistencyChecks_230	True	True
+ConsistencyChecks_247	True	True
+ConsistencyChecks_195	True	True
+ConsistencyChecks_082	False	False
+ConsistencyChecks_257	True	True
+ConsistencyChecks_136	False	False
+ConsistencyChecks_113	True	True
+ConsistencyChecks_064	False	False
+ConsistencyChecks_107	False	False
+ConsistencyChecks_072	False	True
+ConsistencyChecks_101	True	True
+ConsistencyChecks_095	True	True
+ConsistencyChecks_150	True	True
+ConsistencyChecks_104	True	True
+ConsistencyChecks_287	True	True
+ConsistencyChecks_273	True	False
+ConsistencyChecks_099	True	True
+ConsistencyChecks_048	True	True
+ConsistencyChecks_122	True	True
+ConsistencyChecks_253	True	False
+ConsistencyChecks_279	True	True
+ConsistencyChecks_120	True	False
+ConsistencyChecks_065	True	True
+ConsistencyChecks_175	True	True
+ConsistencyChecks_097	True	False
+ConsistencyChecks_293	True	True
+ConsistencyChecks_165	True	True
+ConsistencyChecks_073	True	True
+ConsistencyChecks_007	False	False
+ConsistencyChecks_036	True	True
+ConsistencyChecks_223	False	True
+ConsistencyChecks_126	True	True
+ConsistencyChecks_208	True	True
+ConsistencyChecks_075	False	True
+ConsistencyChecks_276	False	True
+ConsistencyChecks_188	True	True
+ConsistencyChecks_233	True	False
+ConsistencyChecks_068	True	True
+ConsistencyChecks_032	False	False
+ConsistencyChecks_059	True	True
+ConsistencyChecks_078	True	True
+ConsistencyChecks_031	True	False
+ConsistencyChecks_241	True	True
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json
new file mode 100644
index 00000000..477e27e4
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["sklearn.naive_bayes", "GaussianNB"], "params": {"priors": null, "var_smoothing": 1e-09}, "versions": ["sklearn", "1.2.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json
new file mode 100644
index 00000000..113b5963
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json
@@ -0,0 +1,1617 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksCLS_107420369",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
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+                                "Descriptor_FingerprintSet_MorganFP_125",
+                                "Descriptor_FingerprintSet_MorganFP_126",
+                                "Descriptor_FingerprintSet_MorganFP_127",
+                                "Descriptor_FingerprintSet_MorganFP_128",
+                                "Descriptor_FingerprintSet_MorganFP_129",
+                                "Descriptor_FingerprintSet_MorganFP_131",
+                                "Descriptor_FingerprintSet_MorganFP_132",
+                                "Descriptor_FingerprintSet_MorganFP_133",
+                                "Descriptor_FingerprintSet_MorganFP_134",
+                                "Descriptor_FingerprintSet_MorganFP_135",
+                                "Descriptor_FingerprintSet_MorganFP_136",
+                                "Descriptor_FingerprintSet_MorganFP_137",
+                                "Descriptor_FingerprintSet_MorganFP_138",
+                                "Descriptor_FingerprintSet_MorganFP_139",
+                                "Descriptor_FingerprintSet_MorganFP_140",
+                                "Descriptor_FingerprintSet_MorganFP_141",
+                                "Descriptor_FingerprintSet_MorganFP_142",
+                                "Descriptor_FingerprintSet_MorganFP_144",
+                                "Descriptor_FingerprintSet_MorganFP_145",
+                                "Descriptor_FingerprintSet_MorganFP_146",
+                                "Descriptor_FingerprintSet_MorganFP_147",
+                                "Descriptor_FingerprintSet_MorganFP_148",
+                                "Descriptor_FingerprintSet_MorganFP_149",
+                                "Descriptor_FingerprintSet_MorganFP_150",
+                                "Descriptor_FingerprintSet_MorganFP_151",
+                                "Descriptor_FingerprintSet_MorganFP_152",
+                                "Descriptor_FingerprintSet_MorganFP_153",
+                                "Descriptor_FingerprintSet_MorganFP_154",
+                                "Descriptor_FingerprintSet_MorganFP_155",
+                                "Descriptor_FingerprintSet_MorganFP_156",
+                                "Descriptor_FingerprintSet_MorganFP_157",
+                                "Descriptor_FingerprintSet_MorganFP_158",
+                                "Descriptor_FingerprintSet_MorganFP_160",
+                                "Descriptor_FingerprintSet_MorganFP_161",
+                                "Descriptor_FingerprintSet_MorganFP_162",
+                                "Descriptor_FingerprintSet_MorganFP_163",
+                                "Descriptor_FingerprintSet_MorganFP_164",
+                                "Descriptor_FingerprintSet_MorganFP_165",
+                                "Descriptor_FingerprintSet_MorganFP_166",
+                                "Descriptor_FingerprintSet_MorganFP_167",
+                                "Descriptor_FingerprintSet_MorganFP_168",
+                                "Descriptor_FingerprintSet_MorganFP_169",
+                                "Descriptor_FingerprintSet_MorganFP_170",
+                                "Descriptor_FingerprintSet_MorganFP_172",
+                                "Descriptor_FingerprintSet_MorganFP_173",
+                                "Descriptor_FingerprintSet_MorganFP_174",
+                                "Descriptor_FingerprintSet_MorganFP_175",
+                                "Descriptor_FingerprintSet_MorganFP_177",
+                                "Descriptor_FingerprintSet_MorganFP_178",
+                                "Descriptor_FingerprintSet_MorganFP_179",
+                                "Descriptor_FingerprintSet_MorganFP_182",
+                                "Descriptor_FingerprintSet_MorganFP_183",
+                                "Descriptor_FingerprintSet_MorganFP_184",
+                                "Descriptor_FingerprintSet_MorganFP_185",
+                                "Descriptor_FingerprintSet_MorganFP_186",
+                                "Descriptor_FingerprintSet_MorganFP_187",
+                                "Descriptor_FingerprintSet_MorganFP_188",
+                                "Descriptor_FingerprintSet_MorganFP_189",
+                                "Descriptor_FingerprintSet_MorganFP_191",
+                                "Descriptor_FingerprintSet_MorganFP_192",
+                                "Descriptor_FingerprintSet_MorganFP_193",
+                                "Descriptor_FingerprintSet_MorganFP_194",
+                                "Descriptor_FingerprintSet_MorganFP_195",
+                                "Descriptor_FingerprintSet_MorganFP_196",
+                                "Descriptor_FingerprintSet_MorganFP_197",
+                                "Descriptor_FingerprintSet_MorganFP_198",
+                                "Descriptor_FingerprintSet_MorganFP_199",
+                                "Descriptor_FingerprintSet_MorganFP_200",
+                                "Descriptor_FingerprintSet_MorganFP_201",
+                                "Descriptor_FingerprintSet_MorganFP_202",
+                                "Descriptor_FingerprintSet_MorganFP_203",
+                                "Descriptor_FingerprintSet_MorganFP_204",
+                                "Descriptor_FingerprintSet_MorganFP_205",
+                                "Descriptor_FingerprintSet_MorganFP_206",
+                                "Descriptor_FingerprintSet_MorganFP_207",
+                                "Descriptor_FingerprintSet_MorganFP_208",
+                                "Descriptor_FingerprintSet_MorganFP_209",
+                                "Descriptor_FingerprintSet_MorganFP_210",
+                                "Descriptor_FingerprintSet_MorganFP_211",
+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA2",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumAromaticRings",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_Al_OH",
+                                "Descriptor_RDkit_fr_Al_OH_noTert",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_Ar_NH",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_Nhpyrrole",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_para_hydroxylation",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": null,
+        "alg": "sklearn.naive_bayes.GaussianNB",
+        "randomState": 107420369,
+        "estimator": "./ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json
new file mode 100644
index 00000000..b1697cad
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksCLS",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
+                    },
+                    "_keepindices": [
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+                    ]
+                }
+            },
+            {
+                "py/object": "qsprpred.data.descriptors.sets.RDKitDescs",
+                "py/state": {
+                    "_isFP": false,
+                    "_descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ],
+                    "include3D": false,
+                    "descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ]
+                }
+            }
+        ],
+        "targetProps": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
+                            }
+                        ]
+                    },
+                    "_th": [
+                        6.5
+                    ],
+                    "_nClasses": 2,
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "prepSettings": {
+            "py/object": "qsprpred.benchmarks.settings.data_prep.DataPrepSettings",
+            "data_filters": {
+                "py/tuple": [
+                    {
+                        "py/object": "qsprpred.data.processing.data_filters.RepeatsFilter",
+                        "keep": true,
+                        "timeCol": null,
+                        "additionalCols": []
+                    }
+                ]
+            },
+            "split": {
+                "py/object": "qsprpred.data.sampling.splits.RandomSplit",
+                "dataSet": null,
+                "seed": null,
+                "testFraction": 0.2
+            },
+            "smiles_standardizer": "chembl",
+            "feature_filters": [
+                {
+                    "py/object": "qsprpred.data.processing.feature_filters.LowVarianceFilter",
+                    "th": 0.05
+                }
+            ],
+            "feature_standardizer": {
+                "py/object": "sklearn.preprocessing._data.StandardScaler",
+                "py/state": {
+                    "with_mean": true,
+                    "with_std": true,
+                    "copy": true,
+                    "_sklearn_version": "1.2.1"
+                }
+            },
+            "feature_fill_value": 0.0,
+            "shuffle": true
+        },
+        "optimizer": null,
+        "assessors": [
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._ThresholdScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._ranking.roc_auc_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "roc_auc_score"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": false,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._classification.matthews_corrcoef"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "matthews_corrcoef"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._ThresholdScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._ranking.roc_auc_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "roc_auc_score"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": false,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._classification.matthews_corrcoef"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "matthews_corrcoef"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            }
+        ],
+        "randomSeed": 107420369,
+        "model": "/home/sichom/projects/QSPRpred/testing/test_consistency/data/models/ConsistencyChecksCLS_107420369/ConsistencyChecksCLS_107420369_meta.json",
+        "ds": null,
+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.cv.tsv
new file mode 100644
index 00000000..58b83de3
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_132	True	False	0.0
+ConsistencyChecks_051	False	True	0.0
+ConsistencyChecks_215	False	False	0.0
+ConsistencyChecks_283	True	True	0.0
+ConsistencyChecks_251	True	True	0.0
+ConsistencyChecks_198	True	True	0.0
+ConsistencyChecks_006	True	False	0.0
+ConsistencyChecks_296	True	True	0.0
+ConsistencyChecks_000	False	False	0.0
+ConsistencyChecks_279	True	True	0.0
+ConsistencyChecks_005	True	True	0.0
+ConsistencyChecks_187	False	True	0.0
+ConsistencyChecks_153	False	True	0.0
+ConsistencyChecks_200	True	True	0.0
+ConsistencyChecks_082	False	False	0.0
+ConsistencyChecks_024	True	True	0.0
+ConsistencyChecks_130	True	True	0.0
+ConsistencyChecks_081	True	True	0.0
+ConsistencyChecks_063	False	True	0.0
+ConsistencyChecks_216	True	True	0.0
+ConsistencyChecks_289	True	True	0.0
+ConsistencyChecks_246	True	False	0.0
+ConsistencyChecks_032	False	False	0.0
+ConsistencyChecks_001	True	False	0.0
+ConsistencyChecks_112	True	False	0.0
+ConsistencyChecks_266	True	True	0.0
+ConsistencyChecks_007	False	False	0.0
+ConsistencyChecks_097	True	True	0.0
+ConsistencyChecks_237	True	True	0.0
+ConsistencyChecks_159	False	True	0.0
+ConsistencyChecks_143	False	False	0.0
+ConsistencyChecks_013	False	True	0.0
+ConsistencyChecks_250	True	True	0.0
+ConsistencyChecks_292	True	True	0.0
+ConsistencyChecks_012	True	True	0.0
+ConsistencyChecks_088	False	False	0.0
+ConsistencyChecks_269	True	True	0.0
+ConsistencyChecks_183	False	False	0.0
+ConsistencyChecks_105	False	True	0.0
+ConsistencyChecks_070	True	True	0.0
+ConsistencyChecks_022	False	False	0.0
+ConsistencyChecks_142	True	False	0.0
+ConsistencyChecks_188	True	False	0.0
+ConsistencyChecks_233	True	False	0.0
+ConsistencyChecks_018	True	True	0.0
+ConsistencyChecks_285	False	False	0.0
+ConsistencyChecks_238	False	True	0.0
+ConsistencyChecks_116	True	True	0.0
+ConsistencyChecks_059	True	True	1.0
+ConsistencyChecks_221	False	True	1.0
+ConsistencyChecks_020	True	True	1.0
+ConsistencyChecks_048	True	True	1.0
+ConsistencyChecks_189	False	True	1.0
+ConsistencyChecks_277	True	False	1.0
+ConsistencyChecks_225	True	True	1.0
+ConsistencyChecks_067	False	False	1.0
+ConsistencyChecks_084	False	False	1.0
+ConsistencyChecks_140	False	True	1.0
+ConsistencyChecks_085	False	False	1.0
+ConsistencyChecks_133	True	False	1.0
+ConsistencyChecks_126	True	True	1.0
+ConsistencyChecks_267	True	True	1.0
+ConsistencyChecks_146	False	False	1.0
+ConsistencyChecks_107	False	True	1.0
+ConsistencyChecks_228	True	True	1.0
+ConsistencyChecks_121	False	False	1.0
+ConsistencyChecks_079	False	False	1.0
+ConsistencyChecks_236	True	True	1.0
+ConsistencyChecks_125	False	True	1.0
+ConsistencyChecks_040	True	True	1.0
+ConsistencyChecks_196	True	True	1.0
+ConsistencyChecks_290	True	True	1.0
+ConsistencyChecks_046	True	True	1.0
+ConsistencyChecks_165	True	True	1.0
+ConsistencyChecks_016	False	False	1.0
+ConsistencyChecks_170	True	True	1.0
+ConsistencyChecks_176	True	True	1.0
+ConsistencyChecks_152	True	True	1.0
+ConsistencyChecks_201	True	True	1.0
+ConsistencyChecks_260	False	False	1.0
+ConsistencyChecks_217	True	True	1.0
+ConsistencyChecks_158	False	False	1.0
+ConsistencyChecks_113	True	True	1.0
+ConsistencyChecks_108	True	False	1.0
+ConsistencyChecks_162	True	True	1.0
+ConsistencyChecks_033	False	True	1.0
+ConsistencyChecks_098	False	True	1.0
+ConsistencyChecks_010	True	True	1.0
+ConsistencyChecks_114	False	True	1.0
+ConsistencyChecks_039	True	True	1.0
+ConsistencyChecks_118	True	True	1.0
+ConsistencyChecks_254	False	True	1.0
+ConsistencyChecks_259	False	False	1.0
+ConsistencyChecks_091	False	False	1.0
+ConsistencyChecks_103	False	False	1.0
+ConsistencyChecks_174	True	False	1.0
+ConsistencyChecks_072	False	True	2.0
+ConsistencyChecks_177	True	True	2.0
+ConsistencyChecks_029	True	True	2.0
+ConsistencyChecks_015	True	True	2.0
+ConsistencyChecks_178	True	True	2.0
+ConsistencyChecks_167	True	True	2.0
+ConsistencyChecks_295	True	True	2.0
+ConsistencyChecks_203	False	True	2.0
+ConsistencyChecks_123	True	True	2.0
+ConsistencyChecks_211	True	True	2.0
+ConsistencyChecks_299	True	True	2.0
+ConsistencyChecks_265	True	True	2.0
+ConsistencyChecks_186	False	False	2.0
+ConsistencyChecks_219	False	False	2.0
+ConsistencyChecks_227	True	True	2.0
+ConsistencyChecks_173	True	True	2.0
+ConsistencyChecks_025	False	True	2.0
+ConsistencyChecks_052	True	True	2.0
+ConsistencyChecks_089	True	True	2.0
+ConsistencyChecks_058	True	True	2.0
+ConsistencyChecks_208	True	True	2.0
+ConsistencyChecks_041	False	False	2.0
+ConsistencyChecks_202	False	True	2.0
+ConsistencyChecks_160	False	False	2.0
+ConsistencyChecks_111	True	True	2.0
+ConsistencyChecks_141	True	True	2.0
+ConsistencyChecks_101	True	True	2.0
+ConsistencyChecks_163	True	True	2.0
+ConsistencyChecks_166	True	True	2.0
+ConsistencyChecks_194	True	True	2.0
+ConsistencyChecks_030	True	True	2.0
+ConsistencyChecks_249	False	True	2.0
+ConsistencyChecks_066	False	False	2.0
+ConsistencyChecks_243	False	False	2.0
+ConsistencyChecks_014	False	True	2.0
+ConsistencyChecks_060	False	True	2.0
+ConsistencyChecks_034	True	True	2.0
+ConsistencyChecks_239	True	True	2.0
+ConsistencyChecks_083	False	True	2.0
+ConsistencyChecks_281	True	True	2.0
+ConsistencyChecks_139	False	False	2.0
+ConsistencyChecks_028	True	True	2.0
+ConsistencyChecks_043	True	True	2.0
+ConsistencyChecks_137	True	True	2.0
+ConsistencyChecks_075	False	True	2.0
+ConsistencyChecks_181	False	False	2.0
+ConsistencyChecks_138	True	True	2.0
+ConsistencyChecks_119	True	True	2.0
+ConsistencyChecks_026	False	False	3.0
+ConsistencyChecks_256	True	True	3.0
+ConsistencyChecks_092	True	True	3.0
+ConsistencyChecks_149	False	True	3.0
+ConsistencyChecks_220	False	True	3.0
+ConsistencyChecks_213	True	False	3.0
+ConsistencyChecks_284	True	True	3.0
+ConsistencyChecks_214	False	False	3.0
+ConsistencyChecks_002	True	True	3.0
+ConsistencyChecks_199	True	True	3.0
+ConsistencyChecks_242	True	True	3.0
+ConsistencyChecks_197	True	True	3.0
+ConsistencyChecks_298	False	True	3.0
+ConsistencyChecks_003	True	True	3.0
+ConsistencyChecks_106	True	True	3.0
+ConsistencyChecks_023	False	False	3.0
+ConsistencyChecks_102	True	True	3.0
+ConsistencyChecks_094	True	True	3.0
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+ConsistencyChecks_282	True	True	3.0
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+ConsistencyChecks_272	False	True	3.0
+ConsistencyChecks_019	True	True	3.0
+ConsistencyChecks_117	False	True	3.0
+ConsistencyChecks_207	True	True	3.0
+ConsistencyChecks_263	True	False	3.0
+ConsistencyChecks_080	False	False	3.0
+ConsistencyChecks_271	False	True	3.0
+ConsistencyChecks_175	True	True	3.0
+ConsistencyChecks_172	False	True	3.0
+ConsistencyChecks_157	True	True	3.0
+ConsistencyChecks_230	True	True	3.0
+ConsistencyChecks_155	False	False	3.0
+ConsistencyChecks_009	True	True	3.0
+ConsistencyChecks_276	False	False	3.0
+ConsistencyChecks_115	False	True	3.0
+ConsistencyChecks_021	False	False	3.0
+ConsistencyChecks_065	True	True	3.0
+ConsistencyChecks_206	False	False	3.0
+ConsistencyChecks_110	True	True	3.0
+ConsistencyChecks_077	True	False	3.0
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+ConsistencyChecks_071	False	True	3.0
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+ConsistencyChecks_223	False	True	4.0
+ConsistencyChecks_037	True	True	4.0
+ConsistencyChecks_145	True	True	4.0
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+ConsistencyChecks_045	True	True	4.0
+ConsistencyChecks_136	False	False	4.0
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+ConsistencyChecks_209	True	True	4.0
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+ConsistencyChecks_096	True	False	4.0
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+ConsistencyChecks_262	False	False	4.0
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+ConsistencyChecks_191	True	True	4.0
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+ConsistencyChecks_226	True	False	4.0
+ConsistencyChecks_294	True	True	4.0
+ConsistencyChecks_054	True	True	4.0
+ConsistencyChecks_053	False	True	4.0
+ConsistencyChecks_049	True	True	4.0
+ConsistencyChecks_124	True	False	4.0
+ConsistencyChecks_204	False	False	4.0
+ConsistencyChecks_031	True	True	4.0
+ConsistencyChecks_253	True	True	4.0
+ConsistencyChecks_252	False	False	4.0
+ConsistencyChecks_061	False	False	4.0
+ConsistencyChecks_147	True	True	4.0
+ConsistencyChecks_131	False	False	4.0
+ConsistencyChecks_076	True	True	4.0
+ConsistencyChecks_086	False	True	4.0
+ConsistencyChecks_287	True	True	4.0
+ConsistencyChecks_062	True	True	4.0
+ConsistencyChecks_100	True	True	4.0
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.ind.tsv
new file mode 100644
index 00000000..d2b41370
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_222	True	True
+ConsistencyChecks_011	True	True
+ConsistencyChecks_154	False	False
+ConsistencyChecks_291	False	True
+ConsistencyChecks_127	True	True
+ConsistencyChecks_218	False	True
+ConsistencyChecks_255	True	True
+ConsistencyChecks_182	False	False
+ConsistencyChecks_179	True	True
+ConsistencyChecks_109	False	True
+ConsistencyChecks_042	False	True
+ConsistencyChecks_120	True	True
+ConsistencyChecks_036	True	True
+ConsistencyChecks_095	True	False
+ConsistencyChecks_192	False	True
+ConsistencyChecks_288	True	False
+ConsistencyChecks_134	True	True
+ConsistencyChecks_168	False	False
+ConsistencyChecks_248	True	True
+ConsistencyChecks_286	True	True
+ConsistencyChecks_229	True	True
+ConsistencyChecks_278	False	False
+ConsistencyChecks_004	True	True
+ConsistencyChecks_195	True	True
+ConsistencyChecks_027	True	True
+ConsistencyChecks_150	True	True
+ConsistencyChecks_044	False	False
+ConsistencyChecks_180	False	True
+ConsistencyChecks_235	False	False
+ConsistencyChecks_135	False	True
+ConsistencyChecks_093	True	False
+ConsistencyChecks_268	False	False
+ConsistencyChecks_144	True	False
+ConsistencyChecks_184	True	True
+ConsistencyChecks_293	True	True
+ConsistencyChecks_087	False	False
+ConsistencyChecks_064	False	False
+ConsistencyChecks_122	True	True
+ConsistencyChecks_244	True	True
+ConsistencyChecks_129	False	False
+ConsistencyChecks_270	True	True
+ConsistencyChecks_232	False	True
+ConsistencyChecks_247	True	True
+ConsistencyChecks_245	False	False
+ConsistencyChecks_161	True	True
+ConsistencyChecks_171	True	True
+ConsistencyChecks_297	True	True
+ConsistencyChecks_099	True	True
+ConsistencyChecks_074	True	True
+ConsistencyChecks_078	True	True
+ConsistencyChecks_057	True	True
+ConsistencyChecks_258	False	False
+ConsistencyChecks_234	False	True
+ConsistencyChecks_068	True	True
+ConsistencyChecks_274	True	True
+ConsistencyChecks_193	True	False
+ConsistencyChecks_185	True	True
+ConsistencyChecks_038	True	False
+ConsistencyChecks_073	True	True
+ConsistencyChecks_273	True	False
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.json b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.json
new file mode 100644
index 00000000..3d0a756c
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["sklearn.ensemble._forest", "ExtraTreesClassifier"], "params": {"bootstrap": false, "ccp_alpha": 0.0, "class_weight": null, "criterion": "gini", "max_depth": null, "max_features": "sqrt", "max_leaf_nodes": null, "max_samples": null, "min_impurity_decrease": 0.0, "min_samples_leaf": 1, "min_samples_split": 2, "min_weight_fraction_leaf": 0.0, "n_estimators": 100, "n_jobs": null, "oob_score": false, "random_state": 2746317213, "verbose": 0, "warm_start": false}, "versions": ["sklearn", "1.2.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_meta.json b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_meta.json
new file mode 100644
index 00000000..60ec5286
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_meta.json
@@ -0,0 +1,1625 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksCLS_2746317213",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
+                            }
+                        ]
+                    },
+                    "_th": [
+                        6.5
+                    ],
+                    "_nClasses": 2,
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.calculators.MoleculeDescriptorsCalculator",
+                "py/state": {
+                    "descSets": [
+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                            "py/state": {
+                                "_isFP": true,
+                                "fingerprintType": "MorganFP",
+                                "_args": {
+                                    "py/tuple": []
+                                },
+                                "_kwargs": {
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+                                    "nBits": 256
+                                },
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+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.RDKitDescs",
+                            "py/state": {
+                                "_isFP": false,
+                                "_descriptors": [
+                                    "BCUT2D_CHGLO",
+                                    "EState_VSA1",
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+                                    "SlogP_VSA12",
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+                                    "fr_Ndealkylation1",
+                                    "fr_Nhpyrrole",
+                                    "fr_aryl_methyl",
+                                    "fr_ester",
+                                    "fr_ether",
+                                    "fr_furan",
+                                    "fr_imidazole",
+                                    "fr_piperzine",
+                                    "fr_thiazole"
+                                ],
+                                "include3D": false,
+                                "descriptors": [
+                                    "BCUT2D_CHGLO",
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+                                    "EState_VSA10",
+                                    "EState_VSA2",
+                                    "EState_VSA5",
+                                    "EState_VSA7",
+                                    "FractionCSP3",
+                                    "MaxAbsEStateIndex",
+                                    "MaxEStateIndex",
+                                    "MinPartialCharge",
+                                    "NumSaturatedHeterocycles",
+                                    "PEOE_VSA11",
+                                    "PEOE_VSA4",
+                                    "PEOE_VSA5",
+                                    "PEOE_VSA6",
+                                    "SMR_VSA9",
+                                    "SlogP_VSA12",
+                                    "SlogP_VSA4",
+                                    "fr_ArN",
+                                    "fr_Ar_NH",
+                                    "fr_NH2",
+                                    "fr_Ndealkylation1",
+                                    "fr_Nhpyrrole",
+                                    "fr_aryl_methyl",
+                                    "fr_ester",
+                                    "fr_ether",
+                                    "fr_furan",
+                                    "fr_imidazole",
+                                    "fr_piperzine",
+                                    "fr_thiazole"
+                                ]
+                            }
+                        }
+                    ],
+                    "noParallelization": false
+                }
+            }
+        ],
+        "featureStandardizer": {
+            "py/object": "qsprpred.data.processing.feature_standardizers.SKLearnStandardizer",
+            "py/state": {
+                "scaler": {
+                    "meta": "standard-scaler",
+                    "n_features_in_": 252,
+                    "params": {
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+                        "with_mean": true,
+                        "with_std": true
+                    },
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+                    ],
+                    "n_samples_seen_": 240,
+                    "feature_names_in_": {
+                        "py/tuple": [
+                            [
+                                "Descriptor_FingerprintSet_MorganFP_0",
+                                "Descriptor_FingerprintSet_MorganFP_1",
+                                "Descriptor_FingerprintSet_MorganFP_2",
+                                "Descriptor_FingerprintSet_MorganFP_3",
+                                "Descriptor_FingerprintSet_MorganFP_4",
+                                "Descriptor_FingerprintSet_MorganFP_5",
+                                "Descriptor_FingerprintSet_MorganFP_7",
+                                "Descriptor_FingerprintSet_MorganFP_8",
+                                "Descriptor_FingerprintSet_MorganFP_9",
+                                "Descriptor_FingerprintSet_MorganFP_11",
+                                "Descriptor_FingerprintSet_MorganFP_12",
+                                "Descriptor_FingerprintSet_MorganFP_13",
+                                "Descriptor_FingerprintSet_MorganFP_14",
+                                "Descriptor_FingerprintSet_MorganFP_15",
+                                "Descriptor_FingerprintSet_MorganFP_16",
+                                "Descriptor_FingerprintSet_MorganFP_17",
+                                "Descriptor_FingerprintSet_MorganFP_18",
+                                "Descriptor_FingerprintSet_MorganFP_20",
+                                "Descriptor_FingerprintSet_MorganFP_21",
+                                "Descriptor_FingerprintSet_MorganFP_22",
+                                "Descriptor_FingerprintSet_MorganFP_23",
+                                "Descriptor_FingerprintSet_MorganFP_24",
+                                "Descriptor_FingerprintSet_MorganFP_25",
+                                "Descriptor_FingerprintSet_MorganFP_26",
+                                "Descriptor_FingerprintSet_MorganFP_27",
+                                "Descriptor_FingerprintSet_MorganFP_28",
+                                "Descriptor_FingerprintSet_MorganFP_29",
+                                "Descriptor_FingerprintSet_MorganFP_30",
+                                "Descriptor_FingerprintSet_MorganFP_31",
+                                "Descriptor_FingerprintSet_MorganFP_32",
+                                "Descriptor_FingerprintSet_MorganFP_33",
+                                "Descriptor_FingerprintSet_MorganFP_34",
+                                "Descriptor_FingerprintSet_MorganFP_36",
+                                "Descriptor_FingerprintSet_MorganFP_37",
+                                "Descriptor_FingerprintSet_MorganFP_38",
+                                "Descriptor_FingerprintSet_MorganFP_39",
+                                "Descriptor_FingerprintSet_MorganFP_40",
+                                "Descriptor_FingerprintSet_MorganFP_41",
+                                "Descriptor_FingerprintSet_MorganFP_42",
+                                "Descriptor_FingerprintSet_MorganFP_43",
+                                "Descriptor_FingerprintSet_MorganFP_44",
+                                "Descriptor_FingerprintSet_MorganFP_45",
+                                "Descriptor_FingerprintSet_MorganFP_46",
+                                "Descriptor_FingerprintSet_MorganFP_47",
+                                "Descriptor_FingerprintSet_MorganFP_48",
+                                "Descriptor_FingerprintSet_MorganFP_50",
+                                "Descriptor_FingerprintSet_MorganFP_51",
+                                "Descriptor_FingerprintSet_MorganFP_52",
+                                "Descriptor_FingerprintSet_MorganFP_53",
+                                "Descriptor_FingerprintSet_MorganFP_54",
+                                "Descriptor_FingerprintSet_MorganFP_56",
+                                "Descriptor_FingerprintSet_MorganFP_57",
+                                "Descriptor_FingerprintSet_MorganFP_58",
+                                "Descriptor_FingerprintSet_MorganFP_59",
+                                "Descriptor_FingerprintSet_MorganFP_60",
+                                "Descriptor_FingerprintSet_MorganFP_61",
+                                "Descriptor_FingerprintSet_MorganFP_62",
+                                "Descriptor_FingerprintSet_MorganFP_63",
+                                "Descriptor_FingerprintSet_MorganFP_65",
+                                "Descriptor_FingerprintSet_MorganFP_66",
+                                "Descriptor_FingerprintSet_MorganFP_67",
+                                "Descriptor_FingerprintSet_MorganFP_68",
+                                "Descriptor_FingerprintSet_MorganFP_69",
+                                "Descriptor_FingerprintSet_MorganFP_70",
+                                "Descriptor_FingerprintSet_MorganFP_71",
+                                "Descriptor_FingerprintSet_MorganFP_72",
+                                "Descriptor_FingerprintSet_MorganFP_73",
+                                "Descriptor_FingerprintSet_MorganFP_74",
+                                "Descriptor_FingerprintSet_MorganFP_75",
+                                "Descriptor_FingerprintSet_MorganFP_77",
+                                "Descriptor_FingerprintSet_MorganFP_79",
+                                "Descriptor_FingerprintSet_MorganFP_80",
+                                "Descriptor_FingerprintSet_MorganFP_82",
+                                "Descriptor_FingerprintSet_MorganFP_83",
+                                "Descriptor_FingerprintSet_MorganFP_84",
+                                "Descriptor_FingerprintSet_MorganFP_85",
+                                "Descriptor_FingerprintSet_MorganFP_86",
+                                "Descriptor_FingerprintSet_MorganFP_87",
+                                "Descriptor_FingerprintSet_MorganFP_88",
+                                "Descriptor_FingerprintSet_MorganFP_89",
+                                "Descriptor_FingerprintSet_MorganFP_90",
+                                "Descriptor_FingerprintSet_MorganFP_91",
+                                "Descriptor_FingerprintSet_MorganFP_92",
+                                "Descriptor_FingerprintSet_MorganFP_94",
+                                "Descriptor_FingerprintSet_MorganFP_95",
+                                "Descriptor_FingerprintSet_MorganFP_96",
+                                "Descriptor_FingerprintSet_MorganFP_98",
+                                "Descriptor_FingerprintSet_MorganFP_99",
+                                "Descriptor_FingerprintSet_MorganFP_101",
+                                "Descriptor_FingerprintSet_MorganFP_102",
+                                "Descriptor_FingerprintSet_MorganFP_103",
+                                "Descriptor_FingerprintSet_MorganFP_104",
+                                "Descriptor_FingerprintSet_MorganFP_105",
+                                "Descriptor_FingerprintSet_MorganFP_106",
+                                "Descriptor_FingerprintSet_MorganFP_108",
+                                "Descriptor_FingerprintSet_MorganFP_109",
+                                "Descriptor_FingerprintSet_MorganFP_110",
+                                "Descriptor_FingerprintSet_MorganFP_111",
+                                "Descriptor_FingerprintSet_MorganFP_112",
+                                "Descriptor_FingerprintSet_MorganFP_113",
+                                "Descriptor_FingerprintSet_MorganFP_114",
+                                "Descriptor_FingerprintSet_MorganFP_115",
+                                "Descriptor_FingerprintSet_MorganFP_117",
+                                "Descriptor_FingerprintSet_MorganFP_118",
+                                "Descriptor_FingerprintSet_MorganFP_119",
+                                "Descriptor_FingerprintSet_MorganFP_120",
+                                "Descriptor_FingerprintSet_MorganFP_121",
+                                "Descriptor_FingerprintSet_MorganFP_122",
+                                "Descriptor_FingerprintSet_MorganFP_123",
+                                "Descriptor_FingerprintSet_MorganFP_124",
+                                "Descriptor_FingerprintSet_MorganFP_125",
+                                "Descriptor_FingerprintSet_MorganFP_126",
+                                "Descriptor_FingerprintSet_MorganFP_127",
+                                "Descriptor_FingerprintSet_MorganFP_128",
+                                "Descriptor_FingerprintSet_MorganFP_129",
+                                "Descriptor_FingerprintSet_MorganFP_131",
+                                "Descriptor_FingerprintSet_MorganFP_132",
+                                "Descriptor_FingerprintSet_MorganFP_133",
+                                "Descriptor_FingerprintSet_MorganFP_134",
+                                "Descriptor_FingerprintSet_MorganFP_135",
+                                "Descriptor_FingerprintSet_MorganFP_136",
+                                "Descriptor_FingerprintSet_MorganFP_137",
+                                "Descriptor_FingerprintSet_MorganFP_138",
+                                "Descriptor_FingerprintSet_MorganFP_139",
+                                "Descriptor_FingerprintSet_MorganFP_140",
+                                "Descriptor_FingerprintSet_MorganFP_141",
+                                "Descriptor_FingerprintSet_MorganFP_142",
+                                "Descriptor_FingerprintSet_MorganFP_144",
+                                "Descriptor_FingerprintSet_MorganFP_145",
+                                "Descriptor_FingerprintSet_MorganFP_146",
+                                "Descriptor_FingerprintSet_MorganFP_147",
+                                "Descriptor_FingerprintSet_MorganFP_148",
+                                "Descriptor_FingerprintSet_MorganFP_149",
+                                "Descriptor_FingerprintSet_MorganFP_150",
+                                "Descriptor_FingerprintSet_MorganFP_151",
+                                "Descriptor_FingerprintSet_MorganFP_152",
+                                "Descriptor_FingerprintSet_MorganFP_153",
+                                "Descriptor_FingerprintSet_MorganFP_155",
+                                "Descriptor_FingerprintSet_MorganFP_156",
+                                "Descriptor_FingerprintSet_MorganFP_157",
+                                "Descriptor_FingerprintSet_MorganFP_158",
+                                "Descriptor_FingerprintSet_MorganFP_160",
+                                "Descriptor_FingerprintSet_MorganFP_161",
+                                "Descriptor_FingerprintSet_MorganFP_162",
+                                "Descriptor_FingerprintSet_MorganFP_163",
+                                "Descriptor_FingerprintSet_MorganFP_164",
+                                "Descriptor_FingerprintSet_MorganFP_165",
+                                "Descriptor_FingerprintSet_MorganFP_166",
+                                "Descriptor_FingerprintSet_MorganFP_167",
+                                "Descriptor_FingerprintSet_MorganFP_168",
+                                "Descriptor_FingerprintSet_MorganFP_169",
+                                "Descriptor_FingerprintSet_MorganFP_170",
+                                "Descriptor_FingerprintSet_MorganFP_172",
+                                "Descriptor_FingerprintSet_MorganFP_173",
+                                "Descriptor_FingerprintSet_MorganFP_174",
+                                "Descriptor_FingerprintSet_MorganFP_175",
+                                "Descriptor_FingerprintSet_MorganFP_177",
+                                "Descriptor_FingerprintSet_MorganFP_178",
+                                "Descriptor_FingerprintSet_MorganFP_179",
+                                "Descriptor_FingerprintSet_MorganFP_182",
+                                "Descriptor_FingerprintSet_MorganFP_183",
+                                "Descriptor_FingerprintSet_MorganFP_184",
+                                "Descriptor_FingerprintSet_MorganFP_185",
+                                "Descriptor_FingerprintSet_MorganFP_186",
+                                "Descriptor_FingerprintSet_MorganFP_187",
+                                "Descriptor_FingerprintSet_MorganFP_188",
+                                "Descriptor_FingerprintSet_MorganFP_189",
+                                "Descriptor_FingerprintSet_MorganFP_191",
+                                "Descriptor_FingerprintSet_MorganFP_192",
+                                "Descriptor_FingerprintSet_MorganFP_193",
+                                "Descriptor_FingerprintSet_MorganFP_194",
+                                "Descriptor_FingerprintSet_MorganFP_195",
+                                "Descriptor_FingerprintSet_MorganFP_196",
+                                "Descriptor_FingerprintSet_MorganFP_197",
+                                "Descriptor_FingerprintSet_MorganFP_198",
+                                "Descriptor_FingerprintSet_MorganFP_199",
+                                "Descriptor_FingerprintSet_MorganFP_200",
+                                "Descriptor_FingerprintSet_MorganFP_201",
+                                "Descriptor_FingerprintSet_MorganFP_202",
+                                "Descriptor_FingerprintSet_MorganFP_203",
+                                "Descriptor_FingerprintSet_MorganFP_204",
+                                "Descriptor_FingerprintSet_MorganFP_205",
+                                "Descriptor_FingerprintSet_MorganFP_206",
+                                "Descriptor_FingerprintSet_MorganFP_207",
+                                "Descriptor_FingerprintSet_MorganFP_208",
+                                "Descriptor_FingerprintSet_MorganFP_209",
+                                "Descriptor_FingerprintSet_MorganFP_210",
+                                "Descriptor_FingerprintSet_MorganFP_211",
+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_254",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA10",
+                                "Descriptor_RDkit_EState_VSA2",
+                                "Descriptor_RDkit_EState_VSA5",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_PEOE_VSA5",
+                                "Descriptor_RDkit_PEOE_VSA6",
+                                "Descriptor_RDkit_SMR_VSA9",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_Ar_NH",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_Nhpyrrole",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_ester",
+                                "Descriptor_RDkit_fr_ether",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": {
+            "random_state": 2746317213
+        },
+        "alg": "sklearn.ensemble._forest.ExtraTreesClassifier",
+        "randomState": 2746317213,
+        "estimator": "./ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_replica.json b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_replica.json
new file mode 100644
index 00000000..906611c0
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksCLS",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
+                    },
+                    "_keepindices": [
+                        0,
+                        1,
+                        2,
+                        3,
+                        4,
+                        5,
+                        6,
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+                        "NumAromaticRings",
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+                        "fr_phenol",
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+                        "fr_tetrazole",
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+                        "fr_thiophene",
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+                        "fr_urea",
+                        "qed"
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+                    "name": "roc_auc_score"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": false,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._classification.matthews_corrcoef"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "matthews_corrcoef"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            }
+        ],
+        "randomSeed": 2746317213,
+        "model": "/home/sichom/projects/QSPRpred/testing/test_consistency/data/models/ConsistencyChecksCLS_2746317213/ConsistencyChecksCLS_2746317213_meta.json",
+        "ds": null,
+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv
new file mode 100644
index 00000000..3bb6e979
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_057	True	1	0.0
+ConsistencyChecks_166	True	1	0.0
+ConsistencyChecks_040	True	1	0.0
+ConsistencyChecks_097	True	0	0.0
+ConsistencyChecks_056	False	1	0.0
+ConsistencyChecks_242	True	1	0.0
+ConsistencyChecks_181	False	0	0.0
+ConsistencyChecks_021	False	0	0.0
+ConsistencyChecks_277	True	0	0.0
+ConsistencyChecks_117	False	1	0.0
+ConsistencyChecks_018	True	1	0.0
+ConsistencyChecks_229	True	1	0.0
+ConsistencyChecks_265	True	0	0.0
+ConsistencyChecks_130	True	1	0.0
+ConsistencyChecks_270	True	1	0.0
+ConsistencyChecks_296	True	1	0.0
+ConsistencyChecks_264	True	0	0.0
+ConsistencyChecks_275	False	0	0.0
+ConsistencyChecks_134	True	1	0.0
+ConsistencyChecks_014	False	0	0.0
+ConsistencyChecks_106	True	0	0.0
+ConsistencyChecks_218	False	0	0.0
+ConsistencyChecks_262	False	0	0.0
+ConsistencyChecks_171	True	1	0.0
+ConsistencyChecks_282	True	1	0.0
+ConsistencyChecks_267	True	1	0.0
+ConsistencyChecks_158	False	0	0.0
+ConsistencyChecks_016	False	0	0.0
+ConsistencyChecks_015	True	1	0.0
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+ConsistencyChecks_176	True	1	0.0
+ConsistencyChecks_163	True	1	0.0
+ConsistencyChecks_111	True	0	0.0
+ConsistencyChecks_102	True	1	0.0
+ConsistencyChecks_274	True	1	0.0
+ConsistencyChecks_003	True	1	0.0
+ConsistencyChecks_289	True	0	0.0
+ConsistencyChecks_224	True	1	0.0
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+ConsistencyChecks_010	True	0	0.0
+ConsistencyChecks_131	False	0	0.0
+ConsistencyChecks_230	True	1	0.0
+ConsistencyChecks_280	False	0	0.0
+ConsistencyChecks_031	True	0	0.0
+ConsistencyChecks_293	True	0	0.0
+ConsistencyChecks_020	True	1	0.0
+ConsistencyChecks_194	True	1	0.0
+ConsistencyChecks_028	True	1	0.0
+ConsistencyChecks_295	True	1	1.0
+ConsistencyChecks_005	True	1	1.0
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+ConsistencyChecks_196	True	1	4.0
+ConsistencyChecks_065	True	1	4.0
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+ConsistencyChecks_118	True	1	4.0
+ConsistencyChecks_017	True	1	4.0
+ConsistencyChecks_232	False	1	4.0
+ConsistencyChecks_239	True	1	4.0
+ConsistencyChecks_240	False	1	4.0
+ConsistencyChecks_243	False	0	4.0
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diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv
new file mode 100644
index 00000000..da53c58b
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_249	False	1
+ConsistencyChecks_238	False	1
+ConsistencyChecks_197	True	0
+ConsistencyChecks_036	True	1
+ConsistencyChecks_177	True	1
+ConsistencyChecks_254	False	1
+ConsistencyChecks_226	True	0
+ConsistencyChecks_155	False	1
+ConsistencyChecks_211	True	1
+ConsistencyChecks_012	True	1
+ConsistencyChecks_192	False	1
+ConsistencyChecks_156	False	0
+ConsistencyChecks_038	True	1
+ConsistencyChecks_064	False	0
+ConsistencyChecks_070	True	1
+ConsistencyChecks_077	True	0
+ConsistencyChecks_001	True	0
+ConsistencyChecks_062	True	1
+ConsistencyChecks_228	True	1
+ConsistencyChecks_009	True	1
+ConsistencyChecks_100	True	1
+ConsistencyChecks_233	True	0
+ConsistencyChecks_072	False	1
+ConsistencyChecks_116	True	1
+ConsistencyChecks_105	False	0
+ConsistencyChecks_160	False	0
+ConsistencyChecks_042	False	1
+ConsistencyChecks_044	False	0
+ConsistencyChecks_169	True	0
+ConsistencyChecks_162	True	0
+ConsistencyChecks_227	True	1
+ConsistencyChecks_115	False	0
+ConsistencyChecks_071	False	1
+ConsistencyChecks_235	False	1
+ConsistencyChecks_067	False	0
+ConsistencyChecks_087	False	1
+ConsistencyChecks_294	True	1
+ConsistencyChecks_276	False	0
+ConsistencyChecks_154	False	0
+ConsistencyChecks_207	True	1
+ConsistencyChecks_225	True	1
+ConsistencyChecks_103	False	0
+ConsistencyChecks_259	False	1
+ConsistencyChecks_209	True	1
+ConsistencyChecks_180	False	1
+ConsistencyChecks_074	True	0
+ConsistencyChecks_066	False	1
+ConsistencyChecks_083	False	1
+ConsistencyChecks_170	True	1
+ConsistencyChecks_084	False	1
+ConsistencyChecks_051	False	1
+ConsistencyChecks_123	True	1
+ConsistencyChecks_216	True	1
+ConsistencyChecks_033	False	1
+ConsistencyChecks_231	True	1
+ConsistencyChecks_256	True	1
+ConsistencyChecks_284	True	1
+ConsistencyChecks_091	False	0
+ConsistencyChecks_113	True	1
+ConsistencyChecks_008	True	1
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json
new file mode 100644
index 00000000..3801d20e
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["xgboost.sklearn", "XGBClassifier"], "params": {"objective": "binary:logistic", "base_score": null, "booster": null, "callbacks": null, "colsample_bylevel": null, "colsample_bynode": null, "colsample_bytree": null, "device": null, "early_stopping_rounds": null, "enable_categorical": false, "eval_metric": null, "feature_types": null, "gamma": null, "grow_policy": null, "importance_type": null, "interaction_constraints": null, "learning_rate": null, "max_bin": null, "max_cat_threshold": null, "max_cat_to_onehot": null, "max_delta_step": null, "max_depth": null, "max_leaves": null, "min_child_weight": null, "missing": NaN, "monotone_constraints": null, "multi_strategy": null, "n_estimators": null, "n_jobs": null, "num_parallel_tree": null, "random_state": null, "reg_alpha": null, "reg_lambda": null, "sampling_method": null, "scale_pos_weight": null, "subsample": null, "tree_method": null, "validate_parameters": null, "verbosity": null, "seed": 478163327}, "versions": ["xgboost", "2.0.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json
new file mode 100644
index 00000000..8bcd3744
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json
@@ -0,0 +1,1589 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksCLS_478163327",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
+                            }
+                        ]
+                    },
+                    "_th": [
+                        6.5
+                    ],
+                    "_nClasses": 2,
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.calculators.MoleculeDescriptorsCalculator",
+                "py/state": {
+                    "descSets": [
+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                            "py/state": {
+                                "_isFP": true,
+                                "fingerprintType": "MorganFP",
+                                "_args": {
+                                    "py/tuple": []
+                                },
+                                "_kwargs": {
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+                                    "nBits": 256
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+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_254",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA10",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole",
+                                "Descriptor_RDkit_fr_thiophene"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": {
+            "seed": 478163327
+        },
+        "alg": "xgboost.sklearn.XGBClassifier",
+        "randomState": 478163327,
+        "estimator": "./ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json
new file mode 100644
index 00000000..4f4f971e
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksCLS",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
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+                }
+            },
+            {
+                "py/object": "qsprpred.data.descriptors.sets.RDKitDescs",
+                "py/state": {
+                    "_isFP": false,
+                    "_descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ],
+                    "include3D": false,
+                    "descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ]
+                }
+            }
+        ],
+        "targetProps": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "SINGLECLASS"
+                                ]
+                            }
+                        ]
+                    },
+                    "_th": [
+                        6.5
+                    ],
+                    "_nClasses": 2,
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "prepSettings": {
+            "py/object": "qsprpred.benchmarks.settings.data_prep.DataPrepSettings",
+            "data_filters": {
+                "py/tuple": [
+                    {
+                        "py/object": "qsprpred.data.processing.data_filters.RepeatsFilter",
+                        "keep": true,
+                        "timeCol": null,
+                        "additionalCols": []
+                    }
+                ]
+            },
+            "split": {
+                "py/object": "qsprpred.data.sampling.splits.RandomSplit",
+                "dataSet": null,
+                "seed": null,
+                "testFraction": 0.2
+            },
+            "smiles_standardizer": "chembl",
+            "feature_filters": [
+                {
+                    "py/object": "qsprpred.data.processing.feature_filters.LowVarianceFilter",
+                    "th": 0.05
+                }
+            ],
+            "feature_standardizer": {
+                "py/object": "sklearn.preprocessing._data.StandardScaler",
+                "py/state": {
+                    "with_mean": true,
+                    "with_std": true,
+                    "copy": true,
+                    "_sklearn_version": "1.2.1"
+                }
+            },
+            "feature_fill_value": 0.0,
+            "shuffle": true
+        },
+        "optimizer": null,
+        "assessors": [
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._ThresholdScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._ranking.roc_auc_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "roc_auc_score"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": false,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._classification.matthews_corrcoef"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "matthews_corrcoef"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._ThresholdScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._ranking.roc_auc_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "roc_auc_score"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": false,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._classification.matthews_corrcoef"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "matthews_corrcoef"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            }
+        ],
+        "randomSeed": 478163327,
+        "model": "/home/sichom/projects/QSPRpred/testing/test_consistency/data/models/ConsistencyChecksCLS_478163327/ConsistencyChecksCLS_478163327_meta.json",
+        "ds": null,
+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv
new file mode 100644
index 00000000..b5ab2d25
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_004	7.01	6.81197	0.0
+ConsistencyChecks_011	7.29	7.4107	0.0
+ConsistencyChecks_076	8.52	6.67533	0.0
+ConsistencyChecks_236	7.77	6.53035	0.0
+ConsistencyChecks_026	4.38	5.71777	0.0
+ConsistencyChecks_093	6.7	5.92402	0.0
+ConsistencyChecks_089	8.6	7.79692	0.0
+ConsistencyChecks_196	7.44	8.10769	0.0
+ConsistencyChecks_169	7.32	6.46617	0.0
+ConsistencyChecks_000	5.77	6.43872	0.0
+ConsistencyChecks_023	6.1	5.89839	0.0
+ConsistencyChecks_262	6.4	6.39329	0.0
+ConsistencyChecks_103	4.47	6.89985	0.0
+ConsistencyChecks_129	5.34	5.50956	0.0
+ConsistencyChecks_206	6.26	5.93672	0.0
+ConsistencyChecks_277	7.09	6.31129	0.0
+ConsistencyChecks_134	7.44	6.45402	0.0
+ConsistencyChecks_062	6.56	6.09002	0.0
+ConsistencyChecks_185	8.89	8.40499	0.0
+ConsistencyChecks_091	5.16	6.06448	0.0
+ConsistencyChecks_215	5.01	5.6864	0.0
+ConsistencyChecks_295	8.48	6.08099	0.0
+ConsistencyChecks_137	8.15	7.74658	0.0
+ConsistencyChecks_258	5.42	5.7581	0.0
+ConsistencyChecks_153	5.31	6.15301	0.0
+ConsistencyChecks_037	6.6	6.66774	0.0
+ConsistencyChecks_275	5.66	5.03254	0.0
+ConsistencyChecks_226	6.77	6.01965	0.0
+ConsistencyChecks_108	7.17	6.46317	0.0
+ConsistencyChecks_235	4.95	6.03341	0.0
+ConsistencyChecks_018	9.37	7.74266	0.0
+ConsistencyChecks_201	7.34	7.98848	0.0
+ConsistencyChecks_216	6.76	6.6938	0.0
+ConsistencyChecks_213	7.28	6.41397	0.0
+ConsistencyChecks_127	7.96	7.58219	0.0
+ConsistencyChecks_131	5.22	6.53551	0.0
+ConsistencyChecks_092	7.35	5.77232	0.0
+ConsistencyChecks_045	7.4	8.69542	0.0
+ConsistencyChecks_028	7.38	8.03606	0.0
+ConsistencyChecks_210	6.4	6.73617	0.0
+ConsistencyChecks_130	8.7	8.41079	0.0
+ConsistencyChecks_248	7.4	8.57587	0.0
+ConsistencyChecks_219	4.62	6.14487	0.0
+ConsistencyChecks_121	6.11	6.04267	0.0
+ConsistencyChecks_096	7.102	6.53007	0.0
+ConsistencyChecks_234	5.86	6.37122	0.0
+ConsistencyChecks_171	6.93	6.46341	0.0
+ConsistencyChecks_008	9.0	8.59519	0.0
+ConsistencyChecks_063	6.24	6.87123	1.0
+ConsistencyChecks_261	5.82	6.52694	1.0
+ConsistencyChecks_180	6.08	5.95403	1.0
+ConsistencyChecks_218	6.47	6.46248	1.0
+ConsistencyChecks_066	6.39667	5.53473	1.0
+ConsistencyChecks_172	5.8	5.89747	1.0
+ConsistencyChecks_191	8.835	6.73422	1.0
+ConsistencyChecks_152	6.67	8.22724	1.0
+ConsistencyChecks_090	5.43	7.11086	1.0
+ConsistencyChecks_157	6.54	6.74575	1.0
+ConsistencyChecks_003	6.94	6.33031	1.0
+ConsistencyChecks_168	4.53	6.48634	1.0
+ConsistencyChecks_020	7.11	6.82791	1.0
+ConsistencyChecks_038	6.98	6.17866	1.0
+ConsistencyChecks_116	7.3	7.10907	1.0
+ConsistencyChecks_139	5.17	6.34842	1.0
+ConsistencyChecks_039	7.12	6.82361	1.0
+ConsistencyChecks_181	5.32	6.27422	1.0
+ConsistencyChecks_239	7.48	6.88649	1.0
+ConsistencyChecks_284	7.08	7.23496	1.0
+ConsistencyChecks_001	6.64	6.48423	1.0
+ConsistencyChecks_085	6.38	6.47735	1.0
+ConsistencyChecks_156	5.97	5.25874	1.0
+ConsistencyChecks_125	5.65	6.01626	1.0
+ConsistencyChecks_043	7.3	6.59	1.0
+ConsistencyChecks_214	5.22	6.60213	1.0
+ConsistencyChecks_237	8.31	6.64458	1.0
+ConsistencyChecks_041	6.1	5.61632	1.0
+ConsistencyChecks_022	6.16	6.3346	1.0
+ConsistencyChecks_055	7.07	6.24052	1.0
+ConsistencyChecks_240	4.75	5.92232	1.0
+ConsistencyChecks_084	6.21	6.1931	1.0
+ConsistencyChecks_268	5.36	5.74064	1.0
+ConsistencyChecks_243	5.63	5.44045	1.0
+ConsistencyChecks_274	7.92	8.08771	1.0
+ConsistencyChecks_029	8.92	6.80587	1.0
+ConsistencyChecks_100	8.72	8.69538	1.0
+ConsistencyChecks_251	7.75	7.09652	1.0
+ConsistencyChecks_154	5.54	6.50514	1.0
+ConsistencyChecks_183	4.89	6.84809	1.0
+ConsistencyChecks_042	6.5	8.04398	1.0
+ConsistencyChecks_267	6.75	7.28003	1.0
+ConsistencyChecks_086	6.18	6.94658	1.0
+ConsistencyChecks_060	6.46	5.68868	1.0
+ConsistencyChecks_198	7.65	8.83354	1.0
+ConsistencyChecks_052	6.69	7.98348	1.0
+ConsistencyChecks_057	9.085	8.39208	1.0
+ConsistencyChecks_211	8.22	7.14026	1.0
+ConsistencyChecks_010	6.89	6.26579	2.0
+ConsistencyChecks_229	6.62	6.96342	2.0
+ConsistencyChecks_111	7.47	6.56696	2.0
+ConsistencyChecks_056	5.37	6.67872	2.0
+ConsistencyChecks_115	5.17	6.40227	2.0
+ConsistencyChecks_161	7.82	6.05025	2.0
+ConsistencyChecks_088	5.11	6.02848	2.0
+ConsistencyChecks_142	6.52	6.46237	2.0
+ConsistencyChecks_162	7.06	7.06489	2.0
+ConsistencyChecks_194	7.48	7.04175	2.0
+ConsistencyChecks_167	6.66	6.94555	2.0
+ConsistencyChecks_054	9.23	6.91944	2.0
+ConsistencyChecks_220	5.18	6.19214	2.0
+ConsistencyChecks_187	4.37	6.89695	2.0
+ConsistencyChecks_197	7.66	7.27363	2.0
+ConsistencyChecks_294	8.54	7.24175	2.0
+ConsistencyChecks_098	6.47	8.20279	2.0
+ConsistencyChecks_174	6.96	5.53921	2.0
+ConsistencyChecks_140	6.0	6.77786	2.0
+ConsistencyChecks_260	5.51	6.26048	2.0
+ConsistencyChecks_177	7.61	7.06648	2.0
+ConsistencyChecks_170	7.0	7.21188	2.0
+ConsistencyChecks_242	7.52	8.02657	2.0
+ConsistencyChecks_264	8.18	6.43687	2.0
+ConsistencyChecks_189	6.43	7.53512	2.0
+ConsistencyChecks_202	6.33	6.37175	2.0
+ConsistencyChecks_199	6.88	7.16845	2.0
+ConsistencyChecks_033	5.4	6.60703	2.0
+ConsistencyChecks_297	8.3	7.15022	2.0
+ConsistencyChecks_221	5.93	6.66337	2.0
+ConsistencyChecks_123	8.13	7.44148	2.0
+ConsistencyChecks_044	4.66667	5.88045	2.0
+ConsistencyChecks_269	7.1	7.2318	2.0
+ConsistencyChecks_164	8.33	8.14423	2.0
+ConsistencyChecks_087	5.57	6.19537	2.0
+ConsistencyChecks_280	4.96	7.30787	2.0
+ConsistencyChecks_145	8.19	6.75277	2.0
+ConsistencyChecks_249	5.94	6.60326	2.0
+ConsistencyChecks_071	5.95	7.79157	2.0
+ConsistencyChecks_296	9.555	8.52967	2.0
+ConsistencyChecks_053	5.46	7.26831	2.0
+ConsistencyChecks_046	9.7	7.76934	2.0
+ConsistencyChecks_281	8.03	8.44579	2.0
+ConsistencyChecks_227	7.92	7.66163	2.0
+ConsistencyChecks_285	5.27	5.45346	2.0
+ConsistencyChecks_079	4.85	6.88888	2.0
+ConsistencyChecks_002	7.88	8.30699	2.0
+ConsistencyChecks_212	9.22	8.95869	2.0
+ConsistencyChecks_005	6.96	6.95846	3.0
+ConsistencyChecks_141	7.07	8.23681	3.0
+ConsistencyChecks_006	7.24	6.21237	3.0
+ConsistencyChecks_224	6.87	6.74892	3.0
+ConsistencyChecks_299	7.6	6.17811	3.0
+ConsistencyChecks_009	7.08	6.67345	3.0
+ConsistencyChecks_228	7.03	7.43507	3.0
+ConsistencyChecks_286	8.7	7.62235	3.0
+ConsistencyChecks_190	9.15	7.87679	3.0
+ConsistencyChecks_298	6.11	6.58674	3.0
+ConsistencyChecks_179	7.0	5.64246	3.0
+ConsistencyChecks_283	8.17	8.46688	3.0
+ConsistencyChecks_124	6.93	6.16382	3.0
+ConsistencyChecks_252	5.7	6.1955	3.0
+ConsistencyChecks_128	8.34	7.30262	3.0
+ConsistencyChecks_259	5.48	6.97323	3.0
+ConsistencyChecks_014	5.99	6.30362	3.0
+ConsistencyChecks_077	6.7	5.26845	3.0
+ConsistencyChecks_021	5.89	5.66245	3.0
+ConsistencyChecks_255	7.52	6.80326	3.0
+ConsistencyChecks_117	6.42	7.98043	3.0
+ConsistencyChecks_035	6.745	5.33263	3.0
+ConsistencyChecks_290	7.27	8.07237	3.0
+ConsistencyChecks_256	7.31	6.50203	3.0
+ConsistencyChecks_291	5.97	6.32253	3.0
+ConsistencyChecks_192	5.04	6.84737	3.0
+ConsistencyChecks_204	5.375	5.7102	3.0
+ConsistencyChecks_272	4.99	6.57017	3.0
+ConsistencyChecks_016	5.92	5.46025	3.0
+ConsistencyChecks_133	6.79	6.49455	3.0
+ConsistencyChecks_203	6.35	7.27597	3.0
+ConsistencyChecks_015	7.04	7.73427	3.0
+ConsistencyChecks_246	6.52	5.58757	3.0
+ConsistencyChecks_238	6.37	6.32627	3.0
+ConsistencyChecks_094	6.53	6.1556	3.0
+ConsistencyChecks_112	7.32	6.60842	3.0
+ConsistencyChecks_270	6.57	7.01037	3.0
+ConsistencyChecks_105	5.84	6.50089	3.0
+ConsistencyChecks_278	6.46	6.18133	3.0
+ConsistencyChecks_013	5.82	5.77952	3.0
+ConsistencyChecks_135	5.4	5.89846	3.0
+ConsistencyChecks_070	6.69	7.38799	3.0
+ConsistencyChecks_147	9.14538	7.14836	3.0
+ConsistencyChecks_110	6.64	5.90664	3.0
+ConsistencyChecks_186	5.01	6.97099	3.0
+ConsistencyChecks_232	6.22	6.77947	3.0
+ConsistencyChecks_047	5.76	5.7995	3.0
+ConsistencyChecks_282	7.85	7.35605	3.0
+ConsistencyChecks_069	6.05	6.07196	4.0
+ConsistencyChecks_148	5.85	6.24246	4.0
+ConsistencyChecks_155	6.43	6.41523	4.0
+ConsistencyChecks_222	7.03	5.82989	4.0
+ConsistencyChecks_178	7.6	8.16567	4.0
+ConsistencyChecks_024	6.66	6.61406	4.0
+ConsistencyChecks_109	6.45	7.05461	4.0
+ConsistencyChecks_051	5.01	6.86885	4.0
+ConsistencyChecks_132	7.24	6.57693	4.0
+ConsistencyChecks_209	7.48	7.12767	4.0
+ConsistencyChecks_027	7.775	7.40308	4.0
+ConsistencyChecks_176	7.21	6.66371	4.0
+ConsistencyChecks_265	6.86	7.08672	4.0
+ConsistencyChecks_225	6.97	7.54007	4.0
+ConsistencyChecks_173	7.8	6.69958	4.0
+ConsistencyChecks_017	6.57	6.16976	4.0
+ConsistencyChecks_143	6.41	6.64483	4.0
+ConsistencyChecks_200	8.19	7.4032	4.0
+ConsistencyChecks_166	9.71	7.9782	4.0
+ConsistencyChecks_074	7.07	6.85022	4.0
+ConsistencyChecks_263	7.0	6.56213	4.0
+ConsistencyChecks_205	8.71	7.79589	4.0
+ConsistencyChecks_163	6.96	7.30893	4.0
+ConsistencyChecks_118	8.54	8.00672	4.0
+ConsistencyChecks_019	7.0	7.27841	4.0
+ConsistencyChecks_030	7.51	7.45101	4.0
+ConsistencyChecks_289	9.4	6.15672	4.0
+ConsistencyChecks_067	6.0	6.22049	4.0
+ConsistencyChecks_231	6.72	5.7508	4.0
+ConsistencyChecks_114	6.5	6.93993	4.0
+ConsistencyChecks_245	6.31	6.96925	4.0
+ConsistencyChecks_149	6.25	6.0826	4.0
+ConsistencyChecks_040	7.52	7.32814	4.0
+ConsistencyChecks_049	9.1	8.6454	4.0
+ConsistencyChecks_182	5.65	6.36332	4.0
+ConsistencyChecks_025	6.46	6.63082	4.0
+ConsistencyChecks_184	7.27	6.69795	4.0
+ConsistencyChecks_061	6.42	6.70335	4.0
+ConsistencyChecks_106	9.0	6.65419	4.0
+ConsistencyChecks_271	5.31	6.92285	4.0
+ConsistencyChecks_083	6.0	7.21811	4.0
+ConsistencyChecks_144	7.76	6.71807	4.0
+ConsistencyChecks_159	6.04	6.0474	4.0
+ConsistencyChecks_138	6.94	6.94221	4.0
+ConsistencyChecks_080	5.61	5.76087	4.0
+ConsistencyChecks_250	6.93	5.97339	4.0
+ConsistencyChecks_050	6.13	6.24645	4.0
+ConsistencyChecks_217	8.52	7.69315	4.0
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv
new file mode 100644
index 00000000..33b0b331
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_193	6.68	6.5236
+ConsistencyChecks_292	9.05	7.643
+ConsistencyChecks_207	9.92	6.71305
+ConsistencyChecks_288	6.58	6.115
+ConsistencyChecks_158	5.09	6.46332
+ConsistencyChecks_119	8.35	8.96036
+ConsistencyChecks_160	5.89	5.55204
+ConsistencyChecks_012	7.24	7.23984
+ConsistencyChecks_081	8.79	7.04638
+ConsistencyChecks_102	7.64	7.78963
+ConsistencyChecks_254	6.2475	7.00825
+ConsistencyChecks_058	6.77	6.99547
+ConsistencyChecks_266	7.54	6.82676
+ConsistencyChecks_034	7.01	6.94647
+ConsistencyChecks_244	7.32	6.65079
+ConsistencyChecks_151	7.79	6.60474
+ConsistencyChecks_146	5.18	5.99648
+ConsistencyChecks_230	9.0	8.0894
+ConsistencyChecks_247	6.92	6.29193
+ConsistencyChecks_195	7.48	7.5616
+ConsistencyChecks_082	5.0	5.92513
+ConsistencyChecks_257	8.24	8.15045
+ConsistencyChecks_136	5.225	5.27612
+ConsistencyChecks_113	7.04	7.13866
+ConsistencyChecks_064	6.3	6.06881
+ConsistencyChecks_107	5.96	6.18213
+ConsistencyChecks_072	6.23	7.01686
+ConsistencyChecks_101	6.99091	7.29958
+ConsistencyChecks_095	7.46	6.4292
+ConsistencyChecks_150	7.64	6.63431
+ConsistencyChecks_104	8.03	7.52696
+ConsistencyChecks_287	7.04	6.96033
+ConsistencyChecks_273	7.88	6.72431
+ConsistencyChecks_099	8.28	6.78645
+ConsistencyChecks_048	8.32	7.6886
+ConsistencyChecks_122	8.4	8.10864
+ConsistencyChecks_253	7.79	7.06426
+ConsistencyChecks_279	8.7	7.62821
+ConsistencyChecks_120	9.345	6.44211
+ConsistencyChecks_065	9.4	9.30884
+ConsistencyChecks_175	8.72	9.00932
+ConsistencyChecks_097	7.82	6.22745
+ConsistencyChecks_293	8.84	6.68132
+ConsistencyChecks_165	6.68	6.4223
+ConsistencyChecks_073	7.75	6.52666
+ConsistencyChecks_007	6.34	5.76618
+ConsistencyChecks_036	7.88	6.6531
+ConsistencyChecks_223	5.12	6.21956
+ConsistencyChecks_126	7.37	7.10901
+ConsistencyChecks_208	6.62	8.09455
+ConsistencyChecks_075	6.06	6.62849
+ConsistencyChecks_276	5.24	6.16423
+ConsistencyChecks_188	7.13	6.97435
+ConsistencyChecks_233	6.69	6.51874
+ConsistencyChecks_068	7.96	7.60087
+ConsistencyChecks_032	4.2	5.54883
+ConsistencyChecks_059	7.58	7.5064
+ConsistencyChecks_078	6.65	7.06566
+ConsistencyChecks_031	7.04	6.07112
+ConsistencyChecks_241	6.59	7.23493
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json
new file mode 100644
index 00000000..0c01f7f9
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["sklearn.cross_decomposition._pls", "PLSRegression"], "params": {"copy": true, "max_iter": 500, "n_components": 2, "scale": true, "tol": 1e-06}, "versions": ["sklearn", "1.2.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json
new file mode 100644
index 00000000..9b3187db
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_meta.json
@@ -0,0 +1,1613 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksREG_107420369",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "REGRESSION"
+                                ]
+                            }
+                        ]
+                    },
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.calculators.MoleculeDescriptorsCalculator",
+                "py/state": {
+                    "descSets": [
+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                            "py/state": {
+                                "_isFP": true,
+                                "fingerprintType": "MorganFP",
+                                "_args": {
+                                    "py/tuple": []
+                                },
+                                "_kwargs": {
+                                    "radius": 2,
+                                    "nBits": 256
+                                },
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+                            "py/state": {
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+                                "_descriptors": [
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+                                    "EState_VSA1",
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+                                    "fr_aryl_methyl",
+                                    "fr_furan",
+                                    "fr_imidazole",
+                                    "fr_para_hydroxylation",
+                                    "fr_piperzine",
+                                    "fr_thiazole"
+                                ],
+                                "include3D": false,
+                                "descriptors": [
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+                                    "EState_VSA7",
+                                    "FractionCSP3",
+                                    "MaxAbsEStateIndex",
+                                    "MaxEStateIndex",
+                                    "MinPartialCharge",
+                                    "NumAromaticRings",
+                                    "NumSaturatedHeterocycles",
+                                    "PEOE_VSA11",
+                                    "PEOE_VSA4",
+                                    "SlogP_VSA12",
+                                    "SlogP_VSA4",
+                                    "fr_Al_OH",
+                                    "fr_Al_OH_noTert",
+                                    "fr_ArN",
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+                                    "fr_NH2",
+                                    "fr_Ndealkylation1",
+                                    "fr_Nhpyrrole",
+                                    "fr_aryl_methyl",
+                                    "fr_furan",
+                                    "fr_imidazole",
+                                    "fr_para_hydroxylation",
+                                    "fr_piperzine",
+                                    "fr_thiazole"
+                                ]
+                            }
+                        }
+                    ],
+                    "noParallelization": false
+                }
+            }
+        ],
+        "featureStandardizer": {
+            "py/object": "qsprpred.data.processing.feature_standardizers.SKLearnStandardizer",
+            "py/state": {
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+                    "params": {
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+                    "n_samples_seen_": 240,
+                    "feature_names_in_": {
+                        "py/tuple": [
+                            [
+                                "Descriptor_FingerprintSet_MorganFP_0",
+                                "Descriptor_FingerprintSet_MorganFP_1",
+                                "Descriptor_FingerprintSet_MorganFP_2",
+                                "Descriptor_FingerprintSet_MorganFP_3",
+                                "Descriptor_FingerprintSet_MorganFP_4",
+                                "Descriptor_FingerprintSet_MorganFP_5",
+                                "Descriptor_FingerprintSet_MorganFP_6",
+                                "Descriptor_FingerprintSet_MorganFP_7",
+                                "Descriptor_FingerprintSet_MorganFP_8",
+                                "Descriptor_FingerprintSet_MorganFP_9",
+                                "Descriptor_FingerprintSet_MorganFP_11",
+                                "Descriptor_FingerprintSet_MorganFP_12",
+                                "Descriptor_FingerprintSet_MorganFP_13",
+                                "Descriptor_FingerprintSet_MorganFP_14",
+                                "Descriptor_FingerprintSet_MorganFP_15",
+                                "Descriptor_FingerprintSet_MorganFP_16",
+                                "Descriptor_FingerprintSet_MorganFP_17",
+                                "Descriptor_FingerprintSet_MorganFP_18",
+                                "Descriptor_FingerprintSet_MorganFP_20",
+                                "Descriptor_FingerprintSet_MorganFP_21",
+                                "Descriptor_FingerprintSet_MorganFP_22",
+                                "Descriptor_FingerprintSet_MorganFP_23",
+                                "Descriptor_FingerprintSet_MorganFP_24",
+                                "Descriptor_FingerprintSet_MorganFP_25",
+                                "Descriptor_FingerprintSet_MorganFP_26",
+                                "Descriptor_FingerprintSet_MorganFP_27",
+                                "Descriptor_FingerprintSet_MorganFP_28",
+                                "Descriptor_FingerprintSet_MorganFP_29",
+                                "Descriptor_FingerprintSet_MorganFP_30",
+                                "Descriptor_FingerprintSet_MorganFP_31",
+                                "Descriptor_FingerprintSet_MorganFP_32",
+                                "Descriptor_FingerprintSet_MorganFP_33",
+                                "Descriptor_FingerprintSet_MorganFP_34",
+                                "Descriptor_FingerprintSet_MorganFP_36",
+                                "Descriptor_FingerprintSet_MorganFP_37",
+                                "Descriptor_FingerprintSet_MorganFP_38",
+                                "Descriptor_FingerprintSet_MorganFP_39",
+                                "Descriptor_FingerprintSet_MorganFP_40",
+                                "Descriptor_FingerprintSet_MorganFP_41",
+                                "Descriptor_FingerprintSet_MorganFP_42",
+                                "Descriptor_FingerprintSet_MorganFP_43",
+                                "Descriptor_FingerprintSet_MorganFP_44",
+                                "Descriptor_FingerprintSet_MorganFP_45",
+                                "Descriptor_FingerprintSet_MorganFP_46",
+                                "Descriptor_FingerprintSet_MorganFP_47",
+                                "Descriptor_FingerprintSet_MorganFP_48",
+                                "Descriptor_FingerprintSet_MorganFP_50",
+                                "Descriptor_FingerprintSet_MorganFP_51",
+                                "Descriptor_FingerprintSet_MorganFP_52",
+                                "Descriptor_FingerprintSet_MorganFP_54",
+                                "Descriptor_FingerprintSet_MorganFP_55",
+                                "Descriptor_FingerprintSet_MorganFP_56",
+                                "Descriptor_FingerprintSet_MorganFP_57",
+                                "Descriptor_FingerprintSet_MorganFP_58",
+                                "Descriptor_FingerprintSet_MorganFP_59",
+                                "Descriptor_FingerprintSet_MorganFP_60",
+                                "Descriptor_FingerprintSet_MorganFP_61",
+                                "Descriptor_FingerprintSet_MorganFP_62",
+                                "Descriptor_FingerprintSet_MorganFP_63",
+                                "Descriptor_FingerprintSet_MorganFP_65",
+                                "Descriptor_FingerprintSet_MorganFP_66",
+                                "Descriptor_FingerprintSet_MorganFP_67",
+                                "Descriptor_FingerprintSet_MorganFP_68",
+                                "Descriptor_FingerprintSet_MorganFP_69",
+                                "Descriptor_FingerprintSet_MorganFP_71",
+                                "Descriptor_FingerprintSet_MorganFP_72",
+                                "Descriptor_FingerprintSet_MorganFP_73",
+                                "Descriptor_FingerprintSet_MorganFP_74",
+                                "Descriptor_FingerprintSet_MorganFP_75",
+                                "Descriptor_FingerprintSet_MorganFP_77",
+                                "Descriptor_FingerprintSet_MorganFP_78",
+                                "Descriptor_FingerprintSet_MorganFP_79",
+                                "Descriptor_FingerprintSet_MorganFP_80",
+                                "Descriptor_FingerprintSet_MorganFP_82",
+                                "Descriptor_FingerprintSet_MorganFP_83",
+                                "Descriptor_FingerprintSet_MorganFP_84",
+                                "Descriptor_FingerprintSet_MorganFP_85",
+                                "Descriptor_FingerprintSet_MorganFP_86",
+                                "Descriptor_FingerprintSet_MorganFP_87",
+                                "Descriptor_FingerprintSet_MorganFP_88",
+                                "Descriptor_FingerprintSet_MorganFP_89",
+                                "Descriptor_FingerprintSet_MorganFP_90",
+                                "Descriptor_FingerprintSet_MorganFP_91",
+                                "Descriptor_FingerprintSet_MorganFP_92",
+                                "Descriptor_FingerprintSet_MorganFP_93",
+                                "Descriptor_FingerprintSet_MorganFP_94",
+                                "Descriptor_FingerprintSet_MorganFP_95",
+                                "Descriptor_FingerprintSet_MorganFP_96",
+                                "Descriptor_FingerprintSet_MorganFP_98",
+                                "Descriptor_FingerprintSet_MorganFP_99",
+                                "Descriptor_FingerprintSet_MorganFP_101",
+                                "Descriptor_FingerprintSet_MorganFP_102",
+                                "Descriptor_FingerprintSet_MorganFP_103",
+                                "Descriptor_FingerprintSet_MorganFP_104",
+                                "Descriptor_FingerprintSet_MorganFP_105",
+                                "Descriptor_FingerprintSet_MorganFP_106",
+                                "Descriptor_FingerprintSet_MorganFP_108",
+                                "Descriptor_FingerprintSet_MorganFP_109",
+                                "Descriptor_FingerprintSet_MorganFP_110",
+                                "Descriptor_FingerprintSet_MorganFP_111",
+                                "Descriptor_FingerprintSet_MorganFP_112",
+                                "Descriptor_FingerprintSet_MorganFP_113",
+                                "Descriptor_FingerprintSet_MorganFP_114",
+                                "Descriptor_FingerprintSet_MorganFP_115",
+                                "Descriptor_FingerprintSet_MorganFP_117",
+                                "Descriptor_FingerprintSet_MorganFP_118",
+                                "Descriptor_FingerprintSet_MorganFP_119",
+                                "Descriptor_FingerprintSet_MorganFP_120",
+                                "Descriptor_FingerprintSet_MorganFP_121",
+                                "Descriptor_FingerprintSet_MorganFP_122",
+                                "Descriptor_FingerprintSet_MorganFP_123",
+                                "Descriptor_FingerprintSet_MorganFP_124",
+                                "Descriptor_FingerprintSet_MorganFP_125",
+                                "Descriptor_FingerprintSet_MorganFP_126",
+                                "Descriptor_FingerprintSet_MorganFP_127",
+                                "Descriptor_FingerprintSet_MorganFP_128",
+                                "Descriptor_FingerprintSet_MorganFP_129",
+                                "Descriptor_FingerprintSet_MorganFP_131",
+                                "Descriptor_FingerprintSet_MorganFP_132",
+                                "Descriptor_FingerprintSet_MorganFP_133",
+                                "Descriptor_FingerprintSet_MorganFP_134",
+                                "Descriptor_FingerprintSet_MorganFP_135",
+                                "Descriptor_FingerprintSet_MorganFP_136",
+                                "Descriptor_FingerprintSet_MorganFP_137",
+                                "Descriptor_FingerprintSet_MorganFP_138",
+                                "Descriptor_FingerprintSet_MorganFP_139",
+                                "Descriptor_FingerprintSet_MorganFP_140",
+                                "Descriptor_FingerprintSet_MorganFP_141",
+                                "Descriptor_FingerprintSet_MorganFP_142",
+                                "Descriptor_FingerprintSet_MorganFP_144",
+                                "Descriptor_FingerprintSet_MorganFP_145",
+                                "Descriptor_FingerprintSet_MorganFP_146",
+                                "Descriptor_FingerprintSet_MorganFP_147",
+                                "Descriptor_FingerprintSet_MorganFP_148",
+                                "Descriptor_FingerprintSet_MorganFP_149",
+                                "Descriptor_FingerprintSet_MorganFP_150",
+                                "Descriptor_FingerprintSet_MorganFP_151",
+                                "Descriptor_FingerprintSet_MorganFP_152",
+                                "Descriptor_FingerprintSet_MorganFP_153",
+                                "Descriptor_FingerprintSet_MorganFP_154",
+                                "Descriptor_FingerprintSet_MorganFP_155",
+                                "Descriptor_FingerprintSet_MorganFP_156",
+                                "Descriptor_FingerprintSet_MorganFP_157",
+                                "Descriptor_FingerprintSet_MorganFP_158",
+                                "Descriptor_FingerprintSet_MorganFP_160",
+                                "Descriptor_FingerprintSet_MorganFP_161",
+                                "Descriptor_FingerprintSet_MorganFP_162",
+                                "Descriptor_FingerprintSet_MorganFP_163",
+                                "Descriptor_FingerprintSet_MorganFP_164",
+                                "Descriptor_FingerprintSet_MorganFP_165",
+                                "Descriptor_FingerprintSet_MorganFP_166",
+                                "Descriptor_FingerprintSet_MorganFP_167",
+                                "Descriptor_FingerprintSet_MorganFP_168",
+                                "Descriptor_FingerprintSet_MorganFP_169",
+                                "Descriptor_FingerprintSet_MorganFP_170",
+                                "Descriptor_FingerprintSet_MorganFP_172",
+                                "Descriptor_FingerprintSet_MorganFP_173",
+                                "Descriptor_FingerprintSet_MorganFP_174",
+                                "Descriptor_FingerprintSet_MorganFP_175",
+                                "Descriptor_FingerprintSet_MorganFP_177",
+                                "Descriptor_FingerprintSet_MorganFP_178",
+                                "Descriptor_FingerprintSet_MorganFP_179",
+                                "Descriptor_FingerprintSet_MorganFP_182",
+                                "Descriptor_FingerprintSet_MorganFP_183",
+                                "Descriptor_FingerprintSet_MorganFP_184",
+                                "Descriptor_FingerprintSet_MorganFP_185",
+                                "Descriptor_FingerprintSet_MorganFP_186",
+                                "Descriptor_FingerprintSet_MorganFP_187",
+                                "Descriptor_FingerprintSet_MorganFP_188",
+                                "Descriptor_FingerprintSet_MorganFP_189",
+                                "Descriptor_FingerprintSet_MorganFP_191",
+                                "Descriptor_FingerprintSet_MorganFP_192",
+                                "Descriptor_FingerprintSet_MorganFP_193",
+                                "Descriptor_FingerprintSet_MorganFP_194",
+                                "Descriptor_FingerprintSet_MorganFP_195",
+                                "Descriptor_FingerprintSet_MorganFP_196",
+                                "Descriptor_FingerprintSet_MorganFP_197",
+                                "Descriptor_FingerprintSet_MorganFP_198",
+                                "Descriptor_FingerprintSet_MorganFP_199",
+                                "Descriptor_FingerprintSet_MorganFP_200",
+                                "Descriptor_FingerprintSet_MorganFP_201",
+                                "Descriptor_FingerprintSet_MorganFP_202",
+                                "Descriptor_FingerprintSet_MorganFP_203",
+                                "Descriptor_FingerprintSet_MorganFP_204",
+                                "Descriptor_FingerprintSet_MorganFP_205",
+                                "Descriptor_FingerprintSet_MorganFP_206",
+                                "Descriptor_FingerprintSet_MorganFP_207",
+                                "Descriptor_FingerprintSet_MorganFP_208",
+                                "Descriptor_FingerprintSet_MorganFP_209",
+                                "Descriptor_FingerprintSet_MorganFP_210",
+                                "Descriptor_FingerprintSet_MorganFP_211",
+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA2",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumAromaticRings",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_Al_OH",
+                                "Descriptor_RDkit_fr_Al_OH_noTert",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_Ar_NH",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_Nhpyrrole",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_para_hydroxylation",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": null,
+        "alg": "sklearn.cross_decomposition._pls.PLSRegression",
+        "randomState": 107420369,
+        "estimator": "./ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json
new file mode 100644
index 00000000..66b612d5
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_107420369/ConsistencyChecksREG_107420369_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksREG",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
+                    },
+                    "_keepindices": [
+                        0,
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+                        "fr_lactam",
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+                        "fr_oxazole",
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+                        "fr_para_hydroxylation",
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+                        "NumHDonors",
+                        "NumHeteroatoms",
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+                        "NumRotatableBonds",
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+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
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+                        "fr_Imine",
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+                        "fr_Ndealkylation2",
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+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
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+                        "fr_aniline",
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+                        "fr_azo",
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+                        "fr_dihydropyridine",
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+                        "fr_halogen",
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+                        "fr_imidazole",
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+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
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+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
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+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ]
+                }
+            }
+        ],
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+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.cv.tsv
new file mode 100644
index 00000000..6cced4ec
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_132	7.24	8.3415	0.0
+ConsistencyChecks_051	5.01	6.022	0.0
+ConsistencyChecks_215	5.01	6.07843	0.0
+ConsistencyChecks_283	8.17	7.9369	0.0
+ConsistencyChecks_251	7.75	7.3549	0.0
+ConsistencyChecks_198	7.65	9.6427	0.0
+ConsistencyChecks_006	7.24	6.03355	0.0
+ConsistencyChecks_296	9.555	7.023	0.0
+ConsistencyChecks_000	5.77	5.91547	0.0
+ConsistencyChecks_279	8.7	6.4899	0.0
+ConsistencyChecks_005	6.96	6.8703	0.0
+ConsistencyChecks_187	4.37	6.9176	0.0
+ConsistencyChecks_153	5.31	6.75053	0.0
+ConsistencyChecks_200	8.19	6.89077	0.0
+ConsistencyChecks_082	5.0	5.0678	0.0
+ConsistencyChecks_024	6.66	6.93832	0.0
+ConsistencyChecks_130	8.7	9.3928	0.0
+ConsistencyChecks_081	8.79	6.8071	0.0
+ConsistencyChecks_063	6.24	7.18237	0.0
+ConsistencyChecks_216	6.76	7.30825	0.0
+ConsistencyChecks_289	9.4	5.67788	0.0
+ConsistencyChecks_246	6.52	5.36852	0.0
+ConsistencyChecks_032	4.2	6.79562	0.0
+ConsistencyChecks_001	6.64	5.4839	0.0
+ConsistencyChecks_112	7.32	6.02687	0.0
+ConsistencyChecks_266	7.54	8.50705	0.0
+ConsistencyChecks_007	6.34	6.2273	0.0
+ConsistencyChecks_097	7.82	7.07005	0.0
+ConsistencyChecks_237	8.31	7.45021	0.0
+ConsistencyChecks_159	6.04	6.62505	0.0
+ConsistencyChecks_143	6.41	6.5994	0.0
+ConsistencyChecks_013	5.82	5.97535	0.0
+ConsistencyChecks_250	6.93	5.74166	0.0
+ConsistencyChecks_292	9.05	6.92852	0.0
+ConsistencyChecks_012	7.24	6.5783	0.0
+ConsistencyChecks_088	5.11	5.7125	0.0
+ConsistencyChecks_269	7.1	7.23511	0.0
+ConsistencyChecks_183	4.89	6.69189	0.0
+ConsistencyChecks_105	5.84	7.25727	0.0
+ConsistencyChecks_070	6.69	7.16809	0.0
+ConsistencyChecks_022	6.16	5.6527	0.0
+ConsistencyChecks_142	6.52	7.26617	0.0
+ConsistencyChecks_188	7.13	6.8903	0.0
+ConsistencyChecks_233	6.69	5.97547	0.0
+ConsistencyChecks_018	9.37	7.367	0.0
+ConsistencyChecks_285	5.27	5.9111	0.0
+ConsistencyChecks_238	6.37	6.65865	0.0
+ConsistencyChecks_116	7.3	7.50949	0.0
+ConsistencyChecks_059	7.58	8.4941	1.0
+ConsistencyChecks_221	5.93	5.84752	1.0
+ConsistencyChecks_020	7.11	7.37375	1.0
+ConsistencyChecks_048	8.32	8.0992	1.0
+ConsistencyChecks_189	6.43	7.64625	1.0
+ConsistencyChecks_277	7.09	6.34875	1.0
+ConsistencyChecks_225	6.97	6.5142	1.0
+ConsistencyChecks_067	6.0	5.98597	1.0
+ConsistencyChecks_084	6.21	6.46687	1.0
+ConsistencyChecks_140	6.0	6.62387	1.0
+ConsistencyChecks_085	6.38	6.38897	1.0
+ConsistencyChecks_133	6.79	6.7178	1.0
+ConsistencyChecks_126	7.37	7.4964	1.0
+ConsistencyChecks_267	6.75	7.769	1.0
+ConsistencyChecks_146	5.18	6.06403	1.0
+ConsistencyChecks_107	5.96	5.41465	1.0
+ConsistencyChecks_228	7.03	6.4693	1.0
+ConsistencyChecks_121	6.11	6.5527	1.0
+ConsistencyChecks_079	4.85	5.0386	1.0
+ConsistencyChecks_236	7.77	7.3268	1.0
+ConsistencyChecks_125	5.65	6.48435	1.0
+ConsistencyChecks_040	7.52	6.7178	1.0
+ConsistencyChecks_196	7.44	7.4641	1.0
+ConsistencyChecks_290	7.27	9.17015	1.0
+ConsistencyChecks_046	9.7	7.07712	1.0
+ConsistencyChecks_165	6.68	6.4489	1.0
+ConsistencyChecks_016	5.92	6.68932	1.0
+ConsistencyChecks_170	7.0	6.57491	1.0
+ConsistencyChecks_176	7.21	7.11525	1.0
+ConsistencyChecks_152	6.67	7.30387	1.0
+ConsistencyChecks_201	7.34	9.16115	1.0
+ConsistencyChecks_260	5.51	7.0916	1.0
+ConsistencyChecks_217	8.52	7.76381	1.0
+ConsistencyChecks_158	5.09	6.2303	1.0
+ConsistencyChecks_113	7.04	6.97353	1.0
+ConsistencyChecks_108	7.17	6.9395	1.0
+ConsistencyChecks_162	7.06	6.78385	1.0
+ConsistencyChecks_033	5.4	6.74662	1.0
+ConsistencyChecks_098	6.47	7.2564	1.0
+ConsistencyChecks_010	6.89	5.51913	1.0
+ConsistencyChecks_114	6.5	6.88931	1.0
+ConsistencyChecks_039	7.12	6.84448	1.0
+ConsistencyChecks_118	8.54	7.0273	1.0
+ConsistencyChecks_254	6.2475	7.05503	1.0
+ConsistencyChecks_259	5.48	6.8984	1.0
+ConsistencyChecks_091	5.16	6.43505	1.0
+ConsistencyChecks_103	4.47	7.5295	1.0
+ConsistencyChecks_174	6.96	5.99152	1.0
+ConsistencyChecks_072	6.23	7.0899	2.0
+ConsistencyChecks_177	7.61	6.788	2.0
+ConsistencyChecks_029	8.92	8.3283	2.0
+ConsistencyChecks_015	7.04	8.0518	2.0
+ConsistencyChecks_178	7.6	7.4688	2.0
+ConsistencyChecks_167	6.66	7.7835	2.0
+ConsistencyChecks_295	8.48	6.2538	2.0
+ConsistencyChecks_203	6.35	7.6033	2.0
+ConsistencyChecks_123	8.13	8.183	2.0
+ConsistencyChecks_211	8.22	7.5173	2.0
+ConsistencyChecks_299	7.6	7.0759	2.0
+ConsistencyChecks_265	6.86	7.23713	2.0
+ConsistencyChecks_186	5.01	6.13202	2.0
+ConsistencyChecks_219	4.62	6.2584	2.0
+ConsistencyChecks_227	7.92	7.3043	2.0
+ConsistencyChecks_173	7.8	7.7288	2.0
+ConsistencyChecks_025	6.46	6.8189	2.0
+ConsistencyChecks_052	6.69	6.2137	2.0
+ConsistencyChecks_089	8.6	8.73867	2.0
+ConsistencyChecks_058	6.77	6.9223	2.0
+ConsistencyChecks_208	6.62	8.3163	2.0
+ConsistencyChecks_041	6.1	6.33564	2.0
+ConsistencyChecks_202	6.33	6.9232	2.0
+ConsistencyChecks_160	5.89	6.2996	2.0
+ConsistencyChecks_111	7.47	7.3601	2.0
+ConsistencyChecks_141	7.07	8.92728	2.0
+ConsistencyChecks_101	6.99091	7.4169	2.0
+ConsistencyChecks_163	6.96	8.5515	2.0
+ConsistencyChecks_166	9.71	7.585	2.0
+ConsistencyChecks_194	7.48	6.6958	2.0
+ConsistencyChecks_030	7.51	6.97715	2.0
+ConsistencyChecks_249	5.94	6.5412	2.0
+ConsistencyChecks_066	6.39667	5.74419	2.0
+ConsistencyChecks_243	5.63	5.88105	2.0
+ConsistencyChecks_014	5.99	5.93137	2.0
+ConsistencyChecks_060	6.46	6.7649	2.0
+ConsistencyChecks_034	7.01	8.3273	2.0
+ConsistencyChecks_239	7.48	7.68125	2.0
+ConsistencyChecks_083	6.0	7.4574	2.0
+ConsistencyChecks_281	8.03	8.3361	2.0
+ConsistencyChecks_139	5.17	5.8333	2.0
+ConsistencyChecks_028	7.38	7.81737	2.0
+ConsistencyChecks_043	7.3	6.64789	2.0
+ConsistencyChecks_137	8.15	7.87696	2.0
+ConsistencyChecks_075	6.06	6.30935	2.0
+ConsistencyChecks_181	5.32	6.4683	2.0
+ConsistencyChecks_138	6.94	6.91628	2.0
+ConsistencyChecks_119	8.35	8.8735	2.0
+ConsistencyChecks_026	4.38	6.30425	3.0
+ConsistencyChecks_256	7.31	6.42975	3.0
+ConsistencyChecks_092	7.35	5.1019	3.0
+ConsistencyChecks_149	6.25	6.3126	3.0
+ConsistencyChecks_220	5.18	5.93947	3.0
+ConsistencyChecks_213	7.28	6.59359	3.0
+ConsistencyChecks_284	7.08	7.4351	3.0
+ConsistencyChecks_214	5.22	5.75775	3.0
+ConsistencyChecks_002	7.88	7.6112	3.0
+ConsistencyChecks_199	6.88	7.6137	3.0
+ConsistencyChecks_242	7.52	7.41192	3.0
+ConsistencyChecks_197	7.66	7.49447	3.0
+ConsistencyChecks_298	6.11	7.05549	3.0
+ConsistencyChecks_003	6.94	7.3019	3.0
+ConsistencyChecks_106	9.0	6.4613	3.0
+ConsistencyChecks_023	6.1	5.41893	3.0
+ConsistencyChecks_102	7.64	7.311	3.0
+ConsistencyChecks_094	6.53	6.6216	3.0
+ConsistencyChecks_090	5.43	6.74642	3.0
+ConsistencyChecks_257	8.24	7.41596	3.0
+ConsistencyChecks_282	7.85	7.11382	3.0
+ConsistencyChecks_205	8.71	8.58922	3.0
+ConsistencyChecks_272	4.99	7.0817	3.0
+ConsistencyChecks_019	7.0	7.077	3.0
+ConsistencyChecks_117	6.42	5.95605	3.0
+ConsistencyChecks_207	9.92	7.61162	3.0
+ConsistencyChecks_263	7.0	6.0786	3.0
+ConsistencyChecks_080	5.61	6.20044	3.0
+ConsistencyChecks_271	5.31	6.57203	3.0
+ConsistencyChecks_175	8.72	7.55906	3.0
+ConsistencyChecks_172	5.8	6.6438	3.0
+ConsistencyChecks_157	6.54	6.9109	3.0
+ConsistencyChecks_230	9.0	7.22301	3.0
+ConsistencyChecks_155	6.43	6.1004	3.0
+ConsistencyChecks_009	7.08	6.2453	3.0
+ConsistencyChecks_276	5.24	5.73737	3.0
+ConsistencyChecks_115	5.17	7.4226	3.0
+ConsistencyChecks_021	5.89	6.9985	3.0
+ConsistencyChecks_065	9.4	9.17006	3.0
+ConsistencyChecks_206	6.26	6.00445	3.0
+ConsistencyChecks_110	6.64	5.20645	3.0
+ConsistencyChecks_077	6.7	6.58555	3.0
+ConsistencyChecks_008	9.0	8.32414	3.0
+ConsistencyChecks_148	5.85	6.7176	3.0
+ConsistencyChecks_280	4.96	5.44782	3.0
+ConsistencyChecks_071	5.95	8.26094	3.0
+ConsistencyChecks_224	6.87	7.0528	3.0
+ConsistencyChecks_164	8.33	7.22581	3.0
+ConsistencyChecks_017	6.57	6.0649	4.0
+ConsistencyChecks_156	5.97	5.8761	4.0
+ConsistencyChecks_223	5.12	6.23707	4.0
+ConsistencyChecks_037	6.6	7.05587	4.0
+ConsistencyChecks_145	8.19	6.8795	4.0
+ConsistencyChecks_128	8.34	7.6919	4.0
+ConsistencyChecks_151	7.79	6.90075	4.0
+ConsistencyChecks_045	7.4	7.8567	4.0
+ConsistencyChecks_136	5.225	5.5718	4.0
+ConsistencyChecks_035	6.745	6.69565	4.0
+ConsistencyChecks_209	7.48	7.1144	4.0
+ConsistencyChecks_190	9.15	9.3482	4.0
+ConsistencyChecks_104	8.03	8.2917	4.0
+ConsistencyChecks_096	7.102	5.728	4.0
+ConsistencyChecks_241	6.59	7.8365	4.0
+ConsistencyChecks_262	6.4	5.3139	4.0
+ConsistencyChecks_261	5.82	7.4217	4.0
+ConsistencyChecks_210	6.4	6.92992	4.0
+ConsistencyChecks_169	7.32	7.483	4.0
+ConsistencyChecks_050	6.13	4.9937	4.0
+ConsistencyChecks_275	5.66	5.5757	4.0
+ConsistencyChecks_191	8.835	5.9385	4.0
+ConsistencyChecks_055	7.07	5.6482	4.0
+ConsistencyChecks_264	8.18	6.0854	4.0
+ConsistencyChecks_212	9.22	8.8977	4.0
+ConsistencyChecks_047	5.76	6.47258	4.0
+ConsistencyChecks_056	5.37	5.6205	4.0
+ConsistencyChecks_231	6.72	6.4369	4.0
+ConsistencyChecks_240	4.75	5.8547	4.0
+ConsistencyChecks_069	6.05	6.3082	4.0
+ConsistencyChecks_226	6.77	6.4418	4.0
+ConsistencyChecks_294	8.54	8.0688	4.0
+ConsistencyChecks_054	9.23	6.878	4.0
+ConsistencyChecks_053	5.46	6.7465	4.0
+ConsistencyChecks_049	9.1	9.3453	4.0
+ConsistencyChecks_124	6.93	5.74757	4.0
+ConsistencyChecks_204	5.375	5.6709	4.0
+ConsistencyChecks_031	7.04	6.5869	4.0
+ConsistencyChecks_253	7.79	6.0553	4.0
+ConsistencyChecks_252	5.7	6.2735	4.0
+ConsistencyChecks_061	6.42	5.7399	4.0
+ConsistencyChecks_147	9.14538	8.3618	4.0
+ConsistencyChecks_131	5.22	5.3434	4.0
+ConsistencyChecks_076	8.52	7.2487	4.0
+ConsistencyChecks_086	6.18	7.0758	4.0
+ConsistencyChecks_287	7.04	7.617	4.0
+ConsistencyChecks_062	6.56	6.4947	4.0
+ConsistencyChecks_100	8.72	9.1189	4.0
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.ind.tsv
new file mode 100644
index 00000000..643866d2
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_222	7.03	6.5149
+ConsistencyChecks_011	7.29	8.63698
+ConsistencyChecks_154	5.54	6.28168
+ConsistencyChecks_291	5.97	6.34525
+ConsistencyChecks_127	7.96	7.5628
+ConsistencyChecks_218	6.47	6.75235
+ConsistencyChecks_255	7.52	6.8596
+ConsistencyChecks_182	5.65	6.27587
+ConsistencyChecks_179	7.0	6.45713
+ConsistencyChecks_109	6.45	6.65339
+ConsistencyChecks_042	6.5	6.25612
+ConsistencyChecks_120	9.345	6.538
+ConsistencyChecks_036	7.88	6.9054
+ConsistencyChecks_095	7.46	7.0696
+ConsistencyChecks_192	5.04	5.74516
+ConsistencyChecks_288	6.58	6.8365
+ConsistencyChecks_134	7.44	7.09615
+ConsistencyChecks_168	4.53	5.91553
+ConsistencyChecks_248	7.4	9.2173
+ConsistencyChecks_286	8.7	8.4496
+ConsistencyChecks_229	6.62	6.7813
+ConsistencyChecks_278	6.46	5.70552
+ConsistencyChecks_004	7.01	7.7379
+ConsistencyChecks_195	7.48	8.6303
+ConsistencyChecks_027	7.775	5.4861
+ConsistencyChecks_150	7.64	5.4503
+ConsistencyChecks_044	4.66667	6.2749
+ConsistencyChecks_180	6.08	6.7788
+ConsistencyChecks_235	4.95	5.76607
+ConsistencyChecks_135	5.4	6.5711
+ConsistencyChecks_093	6.7	6.22905
+ConsistencyChecks_268	5.36	5.43047
+ConsistencyChecks_144	7.76	6.17287
+ConsistencyChecks_184	7.27	7.7014
+ConsistencyChecks_293	8.84	6.9909
+ConsistencyChecks_087	5.57	5.70062
+ConsistencyChecks_064	6.3	6.71232
+ConsistencyChecks_122	8.4	6.64
+ConsistencyChecks_244	7.32	7.28146
+ConsistencyChecks_129	5.34	5.45695
+ConsistencyChecks_270	6.57	5.8779
+ConsistencyChecks_232	6.22	8.8354
+ConsistencyChecks_247	6.92	7.1617
+ConsistencyChecks_245	6.31	6.4215
+ConsistencyChecks_161	7.82	7.73386
+ConsistencyChecks_171	6.93	7.784
+ConsistencyChecks_297	8.3	6.07067
+ConsistencyChecks_099	8.28	5.8294
+ConsistencyChecks_074	7.07	5.76184
+ConsistencyChecks_078	6.65	7.6295
+ConsistencyChecks_057	9.085	8.9038
+ConsistencyChecks_258	5.42	5.8019
+ConsistencyChecks_234	5.86	6.59242
+ConsistencyChecks_068	7.96	9.14625
+ConsistencyChecks_274	7.92	8.76322
+ConsistencyChecks_193	6.68	5.9504
+ConsistencyChecks_185	8.89	7.63825
+ConsistencyChecks_038	6.98	5.7834
+ConsistencyChecks_073	7.75	7.2572
+ConsistencyChecks_273	7.88	6.1173
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.json b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.json
new file mode 100644
index 00000000..e960b8eb
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["sklearn.ensemble._forest", "ExtraTreesRegressor"], "params": {"bootstrap": false, "ccp_alpha": 0.0, "criterion": "squared_error", "max_depth": null, "max_features": 1.0, "max_leaf_nodes": null, "max_samples": null, "min_impurity_decrease": 0.0, "min_samples_leaf": 1, "min_samples_split": 2, "min_weight_fraction_leaf": 0.0, "n_estimators": 100, "n_jobs": null, "oob_score": false, "random_state": 2746317213, "verbose": 0, "warm_start": false}, "versions": ["sklearn", "1.2.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_meta.json b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_meta.json
new file mode 100644
index 00000000..62cc6cd7
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_meta.json
@@ -0,0 +1,1621 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksREG_2746317213",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "REGRESSION"
+                                ]
+                            }
+                        ]
+                    },
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.calculators.MoleculeDescriptorsCalculator",
+                "py/state": {
+                    "descSets": [
+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                            "py/state": {
+                                "_isFP": true,
+                                "fingerprintType": "MorganFP",
+                                "_args": {
+                                    "py/tuple": []
+                                },
+                                "_kwargs": {
+                                    "radius": 2,
+                                    "nBits": 256
+                                },
+                                "_keepindices": [
+                                    0,
+                                    1,
+                                    2,
+                                    3,
+                                    4,
+                                    5,
+                                    7,
+                                    8,
+                                    9,
+                                    11,
+                                    12,
+                                    13,
+                                    14,
+                                    15,
+                                    16,
+                                    17,
+                                    18,
+                                    20,
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+                                "Descriptor_FingerprintSet_MorganFP_138",
+                                "Descriptor_FingerprintSet_MorganFP_139",
+                                "Descriptor_FingerprintSet_MorganFP_140",
+                                "Descriptor_FingerprintSet_MorganFP_141",
+                                "Descriptor_FingerprintSet_MorganFP_142",
+                                "Descriptor_FingerprintSet_MorganFP_144",
+                                "Descriptor_FingerprintSet_MorganFP_145",
+                                "Descriptor_FingerprintSet_MorganFP_146",
+                                "Descriptor_FingerprintSet_MorganFP_147",
+                                "Descriptor_FingerprintSet_MorganFP_148",
+                                "Descriptor_FingerprintSet_MorganFP_149",
+                                "Descriptor_FingerprintSet_MorganFP_150",
+                                "Descriptor_FingerprintSet_MorganFP_151",
+                                "Descriptor_FingerprintSet_MorganFP_152",
+                                "Descriptor_FingerprintSet_MorganFP_153",
+                                "Descriptor_FingerprintSet_MorganFP_155",
+                                "Descriptor_FingerprintSet_MorganFP_156",
+                                "Descriptor_FingerprintSet_MorganFP_157",
+                                "Descriptor_FingerprintSet_MorganFP_158",
+                                "Descriptor_FingerprintSet_MorganFP_160",
+                                "Descriptor_FingerprintSet_MorganFP_161",
+                                "Descriptor_FingerprintSet_MorganFP_162",
+                                "Descriptor_FingerprintSet_MorganFP_163",
+                                "Descriptor_FingerprintSet_MorganFP_164",
+                                "Descriptor_FingerprintSet_MorganFP_165",
+                                "Descriptor_FingerprintSet_MorganFP_166",
+                                "Descriptor_FingerprintSet_MorganFP_167",
+                                "Descriptor_FingerprintSet_MorganFP_168",
+                                "Descriptor_FingerprintSet_MorganFP_169",
+                                "Descriptor_FingerprintSet_MorganFP_170",
+                                "Descriptor_FingerprintSet_MorganFP_172",
+                                "Descriptor_FingerprintSet_MorganFP_173",
+                                "Descriptor_FingerprintSet_MorganFP_174",
+                                "Descriptor_FingerprintSet_MorganFP_175",
+                                "Descriptor_FingerprintSet_MorganFP_177",
+                                "Descriptor_FingerprintSet_MorganFP_178",
+                                "Descriptor_FingerprintSet_MorganFP_179",
+                                "Descriptor_FingerprintSet_MorganFP_182",
+                                "Descriptor_FingerprintSet_MorganFP_183",
+                                "Descriptor_FingerprintSet_MorganFP_184",
+                                "Descriptor_FingerprintSet_MorganFP_185",
+                                "Descriptor_FingerprintSet_MorganFP_186",
+                                "Descriptor_FingerprintSet_MorganFP_187",
+                                "Descriptor_FingerprintSet_MorganFP_188",
+                                "Descriptor_FingerprintSet_MorganFP_189",
+                                "Descriptor_FingerprintSet_MorganFP_191",
+                                "Descriptor_FingerprintSet_MorganFP_192",
+                                "Descriptor_FingerprintSet_MorganFP_193",
+                                "Descriptor_FingerprintSet_MorganFP_194",
+                                "Descriptor_FingerprintSet_MorganFP_195",
+                                "Descriptor_FingerprintSet_MorganFP_196",
+                                "Descriptor_FingerprintSet_MorganFP_197",
+                                "Descriptor_FingerprintSet_MorganFP_198",
+                                "Descriptor_FingerprintSet_MorganFP_199",
+                                "Descriptor_FingerprintSet_MorganFP_200",
+                                "Descriptor_FingerprintSet_MorganFP_201",
+                                "Descriptor_FingerprintSet_MorganFP_202",
+                                "Descriptor_FingerprintSet_MorganFP_203",
+                                "Descriptor_FingerprintSet_MorganFP_204",
+                                "Descriptor_FingerprintSet_MorganFP_205",
+                                "Descriptor_FingerprintSet_MorganFP_206",
+                                "Descriptor_FingerprintSet_MorganFP_207",
+                                "Descriptor_FingerprintSet_MorganFP_208",
+                                "Descriptor_FingerprintSet_MorganFP_209",
+                                "Descriptor_FingerprintSet_MorganFP_210",
+                                "Descriptor_FingerprintSet_MorganFP_211",
+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_254",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA10",
+                                "Descriptor_RDkit_EState_VSA2",
+                                "Descriptor_RDkit_EState_VSA5",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_PEOE_VSA5",
+                                "Descriptor_RDkit_PEOE_VSA6",
+                                "Descriptor_RDkit_SMR_VSA9",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_Ar_NH",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_Nhpyrrole",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_ester",
+                                "Descriptor_RDkit_fr_ether",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": {
+            "random_state": 2746317213
+        },
+        "alg": "sklearn.ensemble._forest.ExtraTreesRegressor",
+        "randomState": 2746317213,
+        "estimator": "./ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_replica.json b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_replica.json
new file mode 100644
index 00000000..dc4788fe
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksREG",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
+                    },
+                    "_keepindices": [
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+                        "100",
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+                        "252",
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+                        "255"
+                    ]
+                }
+            },
+            {
+                "py/object": "qsprpred.data.descriptors.sets.RDKitDescs",
+                "py/state": {
+                    "_isFP": false,
+                    "_descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ],
+                    "include3D": false,
+                    "descriptors": [
+                        "AvgIpc",
+                        "BCUT2D_CHGHI",
+                        "BCUT2D_CHGLO",
+                        "BCUT2D_LOGPHI",
+                        "BCUT2D_LOGPLOW",
+                        "BCUT2D_MRHI",
+                        "BCUT2D_MRLOW",
+                        "BCUT2D_MWHI",
+                        "BCUT2D_MWLOW",
+                        "BalabanJ",
+                        "BertzCT",
+                        "Chi0",
+                        "Chi0n",
+                        "Chi0v",
+                        "Chi1",
+                        "Chi1n",
+                        "Chi1v",
+                        "Chi2n",
+                        "Chi2v",
+                        "Chi3n",
+                        "Chi3v",
+                        "Chi4n",
+                        "Chi4v",
+                        "EState_VSA1",
+                        "EState_VSA10",
+                        "EState_VSA11",
+                        "EState_VSA2",
+                        "EState_VSA3",
+                        "EState_VSA4",
+                        "EState_VSA5",
+                        "EState_VSA6",
+                        "EState_VSA7",
+                        "EState_VSA8",
+                        "EState_VSA9",
+                        "ExactMolWt",
+                        "FpDensityMorgan1",
+                        "FpDensityMorgan2",
+                        "FpDensityMorgan3",
+                        "FractionCSP3",
+                        "HallKierAlpha",
+                        "HeavyAtomCount",
+                        "HeavyAtomMolWt",
+                        "Ipc",
+                        "Kappa1",
+                        "Kappa2",
+                        "Kappa3",
+                        "LabuteASA",
+                        "MaxAbsEStateIndex",
+                        "MaxAbsPartialCharge",
+                        "MaxEStateIndex",
+                        "MaxPartialCharge",
+                        "MinAbsEStateIndex",
+                        "MinAbsPartialCharge",
+                        "MinEStateIndex",
+                        "MinPartialCharge",
+                        "MolLogP",
+                        "MolMR",
+                        "MolWt",
+                        "NHOHCount",
+                        "NOCount",
+                        "NumAliphaticCarbocycles",
+                        "NumAliphaticHeterocycles",
+                        "NumAliphaticRings",
+                        "NumAromaticCarbocycles",
+                        "NumAromaticHeterocycles",
+                        "NumAromaticRings",
+                        "NumHAcceptors",
+                        "NumHDonors",
+                        "NumHeteroatoms",
+                        "NumRadicalElectrons",
+                        "NumRotatableBonds",
+                        "NumSaturatedCarbocycles",
+                        "NumSaturatedHeterocycles",
+                        "NumSaturatedRings",
+                        "NumValenceElectrons",
+                        "PEOE_VSA1",
+                        "PEOE_VSA10",
+                        "PEOE_VSA11",
+                        "PEOE_VSA12",
+                        "PEOE_VSA13",
+                        "PEOE_VSA14",
+                        "PEOE_VSA2",
+                        "PEOE_VSA3",
+                        "PEOE_VSA4",
+                        "PEOE_VSA5",
+                        "PEOE_VSA6",
+                        "PEOE_VSA7",
+                        "PEOE_VSA8",
+                        "PEOE_VSA9",
+                        "RingCount",
+                        "SMR_VSA1",
+                        "SMR_VSA10",
+                        "SMR_VSA2",
+                        "SMR_VSA3",
+                        "SMR_VSA4",
+                        "SMR_VSA5",
+                        "SMR_VSA6",
+                        "SMR_VSA7",
+                        "SMR_VSA8",
+                        "SMR_VSA9",
+                        "SPS",
+                        "SlogP_VSA1",
+                        "SlogP_VSA10",
+                        "SlogP_VSA11",
+                        "SlogP_VSA12",
+                        "SlogP_VSA2",
+                        "SlogP_VSA3",
+                        "SlogP_VSA4",
+                        "SlogP_VSA5",
+                        "SlogP_VSA6",
+                        "SlogP_VSA7",
+                        "SlogP_VSA8",
+                        "SlogP_VSA9",
+                        "TPSA",
+                        "VSA_EState1",
+                        "VSA_EState10",
+                        "VSA_EState2",
+                        "VSA_EState3",
+                        "VSA_EState4",
+                        "VSA_EState5",
+                        "VSA_EState6",
+                        "VSA_EState7",
+                        "VSA_EState8",
+                        "VSA_EState9",
+                        "fr_Al_COO",
+                        "fr_Al_OH",
+                        "fr_Al_OH_noTert",
+                        "fr_ArN",
+                        "fr_Ar_COO",
+                        "fr_Ar_N",
+                        "fr_Ar_NH",
+                        "fr_Ar_OH",
+                        "fr_COO",
+                        "fr_COO2",
+                        "fr_C_O",
+                        "fr_C_O_noCOO",
+                        "fr_C_S",
+                        "fr_HOCCN",
+                        "fr_Imine",
+                        "fr_NH0",
+                        "fr_NH1",
+                        "fr_NH2",
+                        "fr_N_O",
+                        "fr_Ndealkylation1",
+                        "fr_Ndealkylation2",
+                        "fr_Nhpyrrole",
+                        "fr_SH",
+                        "fr_aldehyde",
+                        "fr_alkyl_carbamate",
+                        "fr_alkyl_halide",
+                        "fr_allylic_oxid",
+                        "fr_amide",
+                        "fr_amidine",
+                        "fr_aniline",
+                        "fr_aryl_methyl",
+                        "fr_azide",
+                        "fr_azo",
+                        "fr_barbitur",
+                        "fr_benzene",
+                        "fr_benzodiazepine",
+                        "fr_bicyclic",
+                        "fr_diazo",
+                        "fr_dihydropyridine",
+                        "fr_epoxide",
+                        "fr_ester",
+                        "fr_ether",
+                        "fr_furan",
+                        "fr_guanido",
+                        "fr_halogen",
+                        "fr_hdrzine",
+                        "fr_hdrzone",
+                        "fr_imidazole",
+                        "fr_imide",
+                        "fr_isocyan",
+                        "fr_isothiocyan",
+                        "fr_ketone",
+                        "fr_ketone_Topliss",
+                        "fr_lactam",
+                        "fr_lactone",
+                        "fr_methoxy",
+                        "fr_morpholine",
+                        "fr_nitrile",
+                        "fr_nitro",
+                        "fr_nitro_arom",
+                        "fr_nitro_arom_nonortho",
+                        "fr_nitroso",
+                        "fr_oxazole",
+                        "fr_oxime",
+                        "fr_para_hydroxylation",
+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
+                        "fr_phos_acid",
+                        "fr_phos_ester",
+                        "fr_piperdine",
+                        "fr_piperzine",
+                        "fr_priamide",
+                        "fr_prisulfonamd",
+                        "fr_pyridine",
+                        "fr_quatN",
+                        "fr_sulfide",
+                        "fr_sulfonamd",
+                        "fr_sulfone",
+                        "fr_term_acetylene",
+                        "fr_tetrazole",
+                        "fr_thiazole",
+                        "fr_thiocyan",
+                        "fr_thiophene",
+                        "fr_unbrch_alkane",
+                        "fr_urea",
+                        "qed"
+                    ]
+                }
+            }
+        ],
+        "targetProps": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "REGRESSION"
+                                ]
+                            }
+                        ]
+                    },
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "prepSettings": {
+            "py/object": "qsprpred.benchmarks.settings.data_prep.DataPrepSettings",
+            "data_filters": {
+                "py/tuple": [
+                    {
+                        "py/object": "qsprpred.data.processing.data_filters.RepeatsFilter",
+                        "keep": true,
+                        "timeCol": null,
+                        "additionalCols": []
+                    }
+                ]
+            },
+            "split": {
+                "py/object": "qsprpred.data.sampling.splits.RandomSplit",
+                "dataSet": null,
+                "seed": null,
+                "testFraction": 0.2
+            },
+            "smiles_standardizer": "chembl",
+            "feature_filters": [
+                {
+                    "py/object": "qsprpred.data.processing.feature_filters.LowVarianceFilter",
+                    "th": 0.05
+                }
+            ],
+            "feature_standardizer": {
+                "py/object": "sklearn.preprocessing._data.StandardScaler",
+                "py/state": {
+                    "with_mean": true,
+                    "with_std": true,
+                    "copy": true,
+                    "_sklearn_version": "1.2.1"
+                }
+            },
+            "feature_fill_value": 0.0,
+            "shuffle": true
+        },
+        "optimizer": null,
+        "assessors": [
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.r2_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "r2_score"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {
+                            "squared": false
+                        },
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.mean_squared_error"
+                        },
+                        "_sign": -1
+                    },
+                    "name": "mean_squared_error"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.r2_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "r2_score"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {
+                            "squared": false
+                        },
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.mean_squared_error"
+                        },
+                        "_sign": -1
+                    },
+                    "name": "mean_squared_error"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            }
+        ],
+        "randomSeed": 2746317213,
+        "model": "/home/sichom/projects/QSPRpred/testing/test_consistency/data/models/ConsistencyChecksREG_2746317213/ConsistencyChecksREG_2746317213_meta.json",
+        "ds": null,
+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.cv.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.cv.tsv
new file mode 100644
index 00000000..50da8be7
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.cv.tsv
@@ -0,0 +1,241 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction	Fold
+ConsistencyChecks_057	9.085	8.36157	0.0
+ConsistencyChecks_166	9.71	7.61076	0.0
+ConsistencyChecks_040	7.52	6.87843	0.0
+ConsistencyChecks_097	7.82	6.76942	0.0
+ConsistencyChecks_056	5.37	7.57176	0.0
+ConsistencyChecks_242	7.52	7.38251	0.0
+ConsistencyChecks_181	5.32	6.54936	0.0
+ConsistencyChecks_021	5.89	6.15416	0.0
+ConsistencyChecks_277	7.09	5.94649	0.0
+ConsistencyChecks_117	6.42	6.86681	0.0
+ConsistencyChecks_018	9.37	7.82964	0.0
+ConsistencyChecks_229	6.62	6.73128	0.0
+ConsistencyChecks_265	6.86	6.32126	0.0
+ConsistencyChecks_130	8.7	8.44017	0.0
+ConsistencyChecks_270	6.57	6.25083	0.0
+ConsistencyChecks_296	9.555	8.46516	0.0
+ConsistencyChecks_264	8.18	7.08958	0.0
+ConsistencyChecks_275	5.66	5.51028	0.0
+ConsistencyChecks_134	7.44	6.45994	0.0
+ConsistencyChecks_014	5.99	7.01392	0.0
+ConsistencyChecks_106	9.0	6.4022	0.0
+ConsistencyChecks_218	6.47	6.30954	0.0
+ConsistencyChecks_262	6.4	5.57612	0.0
+ConsistencyChecks_171	6.93	7.00434	0.0
+ConsistencyChecks_282	7.85	7.61206	0.0
+ConsistencyChecks_267	6.75	7.99117	0.0
+ConsistencyChecks_158	5.09	7.21985	0.0
+ConsistencyChecks_016	5.92	6.16032	0.0
+ConsistencyChecks_015	7.04	7.71771	0.0
+ConsistencyChecks_213	7.28	6.01088	0.0
+ConsistencyChecks_176	7.21	6.41804	0.0
+ConsistencyChecks_163	6.96	7.0902	0.0
+ConsistencyChecks_111	7.47	6.22993	0.0
+ConsistencyChecks_102	7.64	7.51414	0.0
+ConsistencyChecks_274	7.92	8.51522	0.0
+ConsistencyChecks_003	6.94	5.9459	0.0
+ConsistencyChecks_289	9.4	5.87701	0.0
+ConsistencyChecks_224	6.87	6.72461	0.0
+ConsistencyChecks_292	9.05	6.28393	0.0
+ConsistencyChecks_010	6.89	5.96024	0.0
+ConsistencyChecks_131	5.22	6.12057	0.0
+ConsistencyChecks_230	9.0	7.87374	0.0
+ConsistencyChecks_280	4.96	5.04507	0.0
+ConsistencyChecks_031	7.04	6.47222	0.0
+ConsistencyChecks_293	8.84	6.45516	0.0
+ConsistencyChecks_020	7.11	7.27606	0.0
+ConsistencyChecks_194	7.48	6.78031	0.0
+ConsistencyChecks_028	7.38	8.50345	0.0
+ConsistencyChecks_295	8.48	6.75974	1.0
+ConsistencyChecks_005	6.96	6.93817	1.0
+ConsistencyChecks_058	6.77	7.31255	1.0
+ConsistencyChecks_298	6.11	6.51032	1.0
+ConsistencyChecks_191	8.835	7.19266	1.0
+ConsistencyChecks_159	6.04	6.43748	1.0
+ConsistencyChecks_188	7.13	6.35075	1.0
+ConsistencyChecks_120	9.345	7.68511	1.0
+ConsistencyChecks_024	6.66	7.17951	1.0
+ConsistencyChecks_089	8.6	8.38017	1.0
+ConsistencyChecks_073	7.75	6.3645	1.0
+ConsistencyChecks_151	7.79	7.15501	1.0
+ConsistencyChecks_193	6.68	7.44348	1.0
+ConsistencyChecks_157	6.54	6.06812	1.0
+ConsistencyChecks_006	7.24	7.63737	1.0
+ConsistencyChecks_184	7.27	7.38798	1.0
+ConsistencyChecks_122	8.4	7.34102	1.0
+ConsistencyChecks_027	7.775	6.93287	1.0
+ConsistencyChecks_252	5.7	6.78323	1.0
+ConsistencyChecks_206	6.26	6.33882	1.0
+ConsistencyChecks_222	7.03	6.43695	1.0
+ConsistencyChecks_168	4.53	7.19812	1.0
+ConsistencyChecks_046	9.7	8.04878	1.0
+ConsistencyChecks_142	6.52	6.61385	1.0
+ConsistencyChecks_287	7.04	6.84027	1.0
+ConsistencyChecks_183	4.89	6.19598	1.0
+ConsistencyChecks_268	5.36	5.41472	1.0
+ConsistencyChecks_141	7.07	8.66105	1.0
+ConsistencyChecks_139	5.17	5.87292	1.0
+ConsistencyChecks_050	6.13	6.10986	1.0
+ConsistencyChecks_039	7.12	7.06167	1.0
+ConsistencyChecks_023	6.1	5.5112	1.0
+ConsistencyChecks_205	8.71	8.70674	1.0
+ConsistencyChecks_258	5.42	6.48882	1.0
+ConsistencyChecks_189	6.43	7.25933	1.0
+ConsistencyChecks_208	6.62	8.41197	1.0
+ConsistencyChecks_146	5.18	6.37353	1.0
+ConsistencyChecks_279	8.7	7.99914	1.0
+ConsistencyChecks_244	7.32	6.83395	1.0
+ConsistencyChecks_288	6.58	6.22393	1.0
+ConsistencyChecks_241	6.59	7.10257	1.0
+ConsistencyChecks_129	5.34	5.53574	1.0
+ConsistencyChecks_152	6.67	7.85415	1.0
+ConsistencyChecks_086	6.18	7.04634	1.0
+ConsistencyChecks_110	6.64	6.46194	1.0
+ConsistencyChecks_088	5.11	6.10867	1.0
+ConsistencyChecks_217	8.52	7.15584	1.0
+ConsistencyChecks_099	8.28	7.06804	1.0
+ConsistencyChecks_043	7.3	5.59541	2.0
+ConsistencyChecks_165	6.68	7.25732	2.0
+ConsistencyChecks_153	5.31	6.76613	2.0
+ConsistencyChecks_045	7.4	7.77999	2.0
+ConsistencyChecks_147	9.14538	8.09041	2.0
+ConsistencyChecks_299	7.6	6.90406	2.0
+ConsistencyChecks_135	5.4	6.77235	2.0
+ConsistencyChecks_148	5.85	7.18801	2.0
+ConsistencyChecks_260	5.51	6.08268	2.0
+ConsistencyChecks_172	5.8	6.68951	2.0
+ConsistencyChecks_095	7.46	7.56416	2.0
+ConsistencyChecks_245	6.31	6.56372	2.0
+ConsistencyChecks_094	6.53	6.71751	2.0
+ConsistencyChecks_187	4.37	6.91715	2.0
+ConsistencyChecks_195	7.48	7.86416	2.0
+ConsistencyChecks_011	7.29	8.40813	2.0
+ConsistencyChecks_035	6.745	6.09855	2.0
+ConsistencyChecks_128	8.34	8.29834	2.0
+ConsistencyChecks_237	8.31	7.15227	2.0
+ConsistencyChecks_114	6.5	6.98878	2.0
+ConsistencyChecks_283	8.17	7.9706	2.0
+ConsistencyChecks_174	6.96	5.96321	2.0
+ConsistencyChecks_049	9.1	8.65082	2.0
+ConsistencyChecks_200	8.19	7.70397	2.0
+ConsistencyChecks_149	6.25	6.10189	2.0
+ConsistencyChecks_220	5.18	6.42642	2.0
+ConsistencyChecks_204	5.375	5.3359	2.0
+ConsistencyChecks_082	5.0	6.04768	2.0
+ConsistencyChecks_109	6.45	6.87502	2.0
+ConsistencyChecks_096	7.102	7.02249	2.0
+ConsistencyChecks_132	7.24	6.72198	2.0
+ConsistencyChecks_029	8.92	7.68124	2.0
+ConsistencyChecks_178	7.6	7.752	2.0
+ConsistencyChecks_164	8.33	8.64226	2.0
+ConsistencyChecks_059	7.58	7.27794	2.0
+ConsistencyChecks_182	5.65	6.46499	2.0
+ConsistencyChecks_126	7.37	7.36162	2.0
+ConsistencyChecks_278	6.46	6.39293	2.0
+ConsistencyChecks_063	6.24	6.64729	2.0
+ConsistencyChecks_093	6.7	6.83846	2.0
+ConsistencyChecks_167	6.66	7.07747	2.0
+ConsistencyChecks_273	7.88	6.75283	2.0
+ConsistencyChecks_078	6.65	7.31557	2.0
+ConsistencyChecks_214	5.22	7.33499	2.0
+ConsistencyChecks_269	7.1	7.96814	2.0
+ConsistencyChecks_143	6.41	6.90497	2.0
+ConsistencyChecks_124	6.93	6.62652	2.0
+ConsistencyChecks_055	7.07	6.03404	2.0
+ConsistencyChecks_053	5.46	7.33764	3.0
+ConsistencyChecks_186	5.01	7.51176	3.0
+ConsistencyChecks_297	8.3	7.09631	3.0
+ConsistencyChecks_179	7.0	5.52984	3.0
+ConsistencyChecks_246	6.52	6.41159	3.0
+ConsistencyChecks_075	6.06	7.28736	3.0
+ConsistencyChecks_253	7.79	6.87631	3.0
+ConsistencyChecks_215	5.01	6.44364	3.0
+ConsistencyChecks_219	4.62	6.36525	3.0
+ConsistencyChecks_150	7.64	6.43591	3.0
+ConsistencyChecks_140	6.0	7.69965	3.0
+ConsistencyChecks_190	9.15	8.45676	3.0
+ConsistencyChecks_004	7.01	8.28876	3.0
+ConsistencyChecks_052	6.69	7.77893	3.0
+ConsistencyChecks_210	6.4	6.884	3.0
+ConsistencyChecks_271	5.31	7.12538	3.0
+ConsistencyChecks_261	5.82	6.43873	3.0
+ConsistencyChecks_125	5.65	6.76176	3.0
+ConsistencyChecks_175	8.72	8.52426	3.0
+ConsistencyChecks_013	5.82	5.75906	3.0
+ConsistencyChecks_144	7.76	6.71744	3.0
+ConsistencyChecks_137	8.15	7.43134	3.0
+ConsistencyChecks_101	6.99091	6.67865	3.0
+ConsistencyChecks_032	4.2	6.3658	3.0
+ConsistencyChecks_145	8.19	6.83765	3.0
+ConsistencyChecks_108	7.17	6.59321	3.0
+ConsistencyChecks_060	6.46	6.76791	3.0
+ConsistencyChecks_090	5.43	6.69952	3.0
+ConsistencyChecks_133	6.79	6.72293	3.0
+ConsistencyChecks_285	5.27	5.97739	3.0
+ConsistencyChecks_281	8.03	7.79095	3.0
+ConsistencyChecks_079	4.85	5.52791	3.0
+ConsistencyChecks_119	8.35	8.18486	3.0
+ConsistencyChecks_138	6.94	6.89528	3.0
+ConsistencyChecks_272	4.99	8.17512	3.0
+ConsistencyChecks_286	8.7	8.28915	3.0
+ConsistencyChecks_085	6.38	6.68118	3.0
+ConsistencyChecks_266	7.54	6.87623	3.0
+ConsistencyChecks_061	6.42	6.08514	3.0
+ConsistencyChecks_250	6.93	6.23146	3.0
+ConsistencyChecks_034	7.01	7.34375	3.0
+ConsistencyChecks_234	5.86	6.88604	3.0
+ConsistencyChecks_201	7.34	8.2588	3.0
+ConsistencyChecks_107	5.96	6.51878	3.0
+ConsistencyChecks_291	5.97	6.84193	3.0
+ConsistencyChecks_069	6.05	6.75803	3.0
+ConsistencyChecks_263	7.0	6.99158	3.0
+ConsistencyChecks_026	4.38	5.89804	3.0
+ConsistencyChecks_076	8.52	6.93034	4.0
+ConsistencyChecks_212	9.22	8.52787	4.0
+ConsistencyChecks_185	8.89	8.35116	4.0
+ConsistencyChecks_199	6.88	6.54863	4.0
+ConsistencyChecks_290	7.27	8.57297	4.0
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+ConsistencyChecks_025	6.46	7.44625	4.0
+ConsistencyChecks_257	8.24	6.9415	4.0
+ConsistencyChecks_030	7.51	7.11318	4.0
+ConsistencyChecks_173	7.8	6.95695	4.0
+ConsistencyChecks_098	6.47	8.06528	4.0
+ConsistencyChecks_112	7.32	6.16537	4.0
+ConsistencyChecks_251	7.75	6.31968	4.0
+ConsistencyChecks_022	6.16	6.0126	4.0
+ConsistencyChecks_248	7.4	8.61353	4.0
+ConsistencyChecks_080	5.61	5.77958	4.0
+ConsistencyChecks_104	8.03	8.1145	4.0
+ConsistencyChecks_221	5.93	7.31553	4.0
+ConsistencyChecks_136	5.225	5.43922	4.0
+ConsistencyChecks_121	6.11	5.92702	4.0
+ConsistencyChecks_247	6.92	5.4227	4.0
+ConsistencyChecks_041	6.1	5.98001	4.0
+ConsistencyChecks_068	7.96	7.74676	4.0
+ConsistencyChecks_203	6.35	7.69805	4.0
+ConsistencyChecks_002	7.88	7.48915	4.0
+ConsistencyChecks_198	7.65	9.45334	4.0
+ConsistencyChecks_202	6.33	6.06785	4.0
+ConsistencyChecks_007	6.34	6.49108	4.0
+ConsistencyChecks_019	7.0	6.69946	4.0
+ConsistencyChecks_037	6.6	6.89492	4.0
+ConsistencyChecks_048	8.32	8.42831	4.0
+ConsistencyChecks_081	8.79	7.40421	4.0
+ConsistencyChecks_236	7.77	7.18973	4.0
+ConsistencyChecks_223	5.12	6.1714	4.0
+ConsistencyChecks_000	5.77	6.00847	4.0
+ConsistencyChecks_092	7.35	5.42272	4.0
+ConsistencyChecks_196	7.44	8.01139	4.0
+ConsistencyChecks_065	9.4	8.98782	4.0
+ConsistencyChecks_047	5.76	7.58443	4.0
+ConsistencyChecks_118	8.54	9.36094	4.0
+ConsistencyChecks_017	6.57	7.07068	4.0
+ConsistencyChecks_232	6.22	6.7405	4.0
+ConsistencyChecks_239	7.48	7.3009	4.0
+ConsistencyChecks_240	4.75	6.18581	4.0
+ConsistencyChecks_243	5.63	5.50179	4.0
+ConsistencyChecks_127	7.96	7.50592	4.0
+ConsistencyChecks_054	9.23	6.43774	4.0
+ConsistencyChecks_161	7.82	7.2169	4.0
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.ind.tsv b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.ind.tsv
new file mode 100644
index 00000000..f58c5259
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.ind.tsv
@@ -0,0 +1,61 @@
+QSPRID	pchembl_value_Mean_Label	pchembl_value_Mean_Prediction
+ConsistencyChecks_249	5.94	6.44725
+ConsistencyChecks_238	6.37	6.74216
+ConsistencyChecks_197	7.66	6.59327
+ConsistencyChecks_036	7.88	6.59651
+ConsistencyChecks_177	7.61	6.056
+ConsistencyChecks_254	6.2475	6.69754
+ConsistencyChecks_226	6.77	5.86827
+ConsistencyChecks_155	6.43	7.02132
+ConsistencyChecks_211	8.22	7.12314
+ConsistencyChecks_012	7.24	7.01073
+ConsistencyChecks_192	5.04	6.21819
+ConsistencyChecks_156	5.97	5.35271
+ConsistencyChecks_038	6.98	7.54889
+ConsistencyChecks_064	6.3	6.3207
+ConsistencyChecks_070	6.69	6.56501
+ConsistencyChecks_077	6.7	6.15736
+ConsistencyChecks_001	6.64	6.85571
+ConsistencyChecks_062	6.56	6.72293
+ConsistencyChecks_228	7.03	8.85968
+ConsistencyChecks_009	7.08	6.59844
+ConsistencyChecks_100	8.72	8.49998
+ConsistencyChecks_233	6.69	7.28546
+ConsistencyChecks_072	6.23	6.80491
+ConsistencyChecks_116	7.3	7.39091
+ConsistencyChecks_105	5.84	7.49641
+ConsistencyChecks_160	5.89	5.50213
+ConsistencyChecks_042	6.5	6.83326
+ConsistencyChecks_044	4.66667	6.37867
+ConsistencyChecks_169	7.32	6.83755
+ConsistencyChecks_162	7.06	6.09169
+ConsistencyChecks_227	7.92	7.85022
+ConsistencyChecks_115	5.17	7.19281
+ConsistencyChecks_071	5.95	7.33436
+ConsistencyChecks_235	4.95	6.33097
+ConsistencyChecks_067	6.0	6.77751
+ConsistencyChecks_087	5.57	7.61597
+ConsistencyChecks_294	8.54	7.4695
+ConsistencyChecks_276	5.24	5.37173
+ConsistencyChecks_154	5.54	6.01098
+ConsistencyChecks_207	9.92	7.40954
+ConsistencyChecks_225	6.97	7.42665
+ConsistencyChecks_103	4.47	6.88775
+ConsistencyChecks_259	5.48	6.99571
+ConsistencyChecks_209	7.48	7.20783
+ConsistencyChecks_180	6.08	6.87077
+ConsistencyChecks_074	7.07	7.8056
+ConsistencyChecks_066	6.39667	6.02305
+ConsistencyChecks_083	6.0	6.85906
+ConsistencyChecks_170	7.0	7.73509
+ConsistencyChecks_084	6.21	6.65129
+ConsistencyChecks_051	5.01	7.73814
+ConsistencyChecks_123	8.13	7.48334
+ConsistencyChecks_216	6.76	6.06756
+ConsistencyChecks_033	5.4	7.23499
+ConsistencyChecks_231	6.72	6.3501
+ConsistencyChecks_256	7.31	6.74457
+ConsistencyChecks_284	7.08	7.61294
+ConsistencyChecks_091	5.16	6.36689
+ConsistencyChecks_113	7.04	7.07436
+ConsistencyChecks_008	9.0	8.5723
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json
new file mode 100644
index 00000000..bde9faaf
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json
@@ -0,0 +1 @@
+{"unfitted": true, "meta": ["xgboost.sklearn", "XGBRegressor"], "params": {"objective": "reg:squarederror", "base_score": null, "booster": null, "callbacks": null, "colsample_bylevel": null, "colsample_bynode": null, "colsample_bytree": null, "device": null, "early_stopping_rounds": null, "enable_categorical": false, "eval_metric": null, "feature_types": null, "gamma": null, "grow_policy": null, "importance_type": null, "interaction_constraints": null, "learning_rate": null, "max_bin": null, "max_cat_threshold": null, "max_cat_to_onehot": null, "max_delta_step": null, "max_depth": null, "max_leaves": null, "min_child_weight": null, "missing": NaN, "monotone_constraints": null, "multi_strategy": null, "n_estimators": null, "n_jobs": null, "num_parallel_tree": null, "random_state": null, "reg_alpha": null, "reg_lambda": null, "sampling_method": null, "scale_pos_weight": null, "subsample": null, "tree_method": null, "validate_parameters": null, "verbosity": null, "seed": 478163327}, "versions": ["xgboost", "2.0.1"]}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json
new file mode 100644
index 00000000..1d372d20
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json
@@ -0,0 +1,1585 @@
+{
+    "py/object": "qsprpred.models.scikit_learn.SklearnModel",
+    "py/state": {
+        "name": "ConsistencyChecksREG_478163327",
+        "baseDir": ".",
+        "targetProperties": [
+            {
+                "py/object": "qsprpred.tasks.TargetProperty",
+                "py/state": {
+                    "name": "pchembl_value_Mean",
+                    "task": {
+                        "py/reduce": [
+                            {
+                                "py/type": "qsprpred.tasks.TargetTasks"
+                            },
+                            {
+                                "py/tuple": [
+                                    "REGRESSION"
+                                ]
+                            }
+                        ]
+                    },
+                    "transformer": null,
+                    "imputer": null
+                }
+            }
+        ],
+        "nTargets": 1,
+        "featureCalculators": [
+            {
+                "py/object": "qsprpred.data.descriptors.calculators.MoleculeDescriptorsCalculator",
+                "py/state": {
+                    "descSets": [
+                        {
+                            "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                            "py/state": {
+                                "_isFP": true,
+                                "fingerprintType": "MorganFP",
+                                "_args": {
+                                    "py/tuple": []
+                                },
+                                "_kwargs": {
+                                    "radius": 2,
+                                    "nBits": 256
+                                },
+                                "_keepindices": [
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+                    "n_samples_seen_": 240,
+                    "feature_names_in_": {
+                        "py/tuple": [
+                            [
+                                "Descriptor_FingerprintSet_MorganFP_0",
+                                "Descriptor_FingerprintSet_MorganFP_1",
+                                "Descriptor_FingerprintSet_MorganFP_2",
+                                "Descriptor_FingerprintSet_MorganFP_3",
+                                "Descriptor_FingerprintSet_MorganFP_4",
+                                "Descriptor_FingerprintSet_MorganFP_5",
+                                "Descriptor_FingerprintSet_MorganFP_7",
+                                "Descriptor_FingerprintSet_MorganFP_8",
+                                "Descriptor_FingerprintSet_MorganFP_9",
+                                "Descriptor_FingerprintSet_MorganFP_11",
+                                "Descriptor_FingerprintSet_MorganFP_12",
+                                "Descriptor_FingerprintSet_MorganFP_13",
+                                "Descriptor_FingerprintSet_MorganFP_14",
+                                "Descriptor_FingerprintSet_MorganFP_15",
+                                "Descriptor_FingerprintSet_MorganFP_16",
+                                "Descriptor_FingerprintSet_MorganFP_17",
+                                "Descriptor_FingerprintSet_MorganFP_18",
+                                "Descriptor_FingerprintSet_MorganFP_20",
+                                "Descriptor_FingerprintSet_MorganFP_21",
+                                "Descriptor_FingerprintSet_MorganFP_22",
+                                "Descriptor_FingerprintSet_MorganFP_23",
+                                "Descriptor_FingerprintSet_MorganFP_24",
+                                "Descriptor_FingerprintSet_MorganFP_25",
+                                "Descriptor_FingerprintSet_MorganFP_26",
+                                "Descriptor_FingerprintSet_MorganFP_27",
+                                "Descriptor_FingerprintSet_MorganFP_28",
+                                "Descriptor_FingerprintSet_MorganFP_29",
+                                "Descriptor_FingerprintSet_MorganFP_30",
+                                "Descriptor_FingerprintSet_MorganFP_31",
+                                "Descriptor_FingerprintSet_MorganFP_32",
+                                "Descriptor_FingerprintSet_MorganFP_33",
+                                "Descriptor_FingerprintSet_MorganFP_34",
+                                "Descriptor_FingerprintSet_MorganFP_35",
+                                "Descriptor_FingerprintSet_MorganFP_36",
+                                "Descriptor_FingerprintSet_MorganFP_37",
+                                "Descriptor_FingerprintSet_MorganFP_38",
+                                "Descriptor_FingerprintSet_MorganFP_39",
+                                "Descriptor_FingerprintSet_MorganFP_40",
+                                "Descriptor_FingerprintSet_MorganFP_41",
+                                "Descriptor_FingerprintSet_MorganFP_42",
+                                "Descriptor_FingerprintSet_MorganFP_43",
+                                "Descriptor_FingerprintSet_MorganFP_44",
+                                "Descriptor_FingerprintSet_MorganFP_45",
+                                "Descriptor_FingerprintSet_MorganFP_46",
+                                "Descriptor_FingerprintSet_MorganFP_47",
+                                "Descriptor_FingerprintSet_MorganFP_48",
+                                "Descriptor_FingerprintSet_MorganFP_50",
+                                "Descriptor_FingerprintSet_MorganFP_51",
+                                "Descriptor_FingerprintSet_MorganFP_52",
+                                "Descriptor_FingerprintSet_MorganFP_53",
+                                "Descriptor_FingerprintSet_MorganFP_54",
+                                "Descriptor_FingerprintSet_MorganFP_55",
+                                "Descriptor_FingerprintSet_MorganFP_56",
+                                "Descriptor_FingerprintSet_MorganFP_57",
+                                "Descriptor_FingerprintSet_MorganFP_58",
+                                "Descriptor_FingerprintSet_MorganFP_59",
+                                "Descriptor_FingerprintSet_MorganFP_60",
+                                "Descriptor_FingerprintSet_MorganFP_61",
+                                "Descriptor_FingerprintSet_MorganFP_62",
+                                "Descriptor_FingerprintSet_MorganFP_63",
+                                "Descriptor_FingerprintSet_MorganFP_65",
+                                "Descriptor_FingerprintSet_MorganFP_66",
+                                "Descriptor_FingerprintSet_MorganFP_67",
+                                "Descriptor_FingerprintSet_MorganFP_68",
+                                "Descriptor_FingerprintSet_MorganFP_69",
+                                "Descriptor_FingerprintSet_MorganFP_71",
+                                "Descriptor_FingerprintSet_MorganFP_72",
+                                "Descriptor_FingerprintSet_MorganFP_73",
+                                "Descriptor_FingerprintSet_MorganFP_74",
+                                "Descriptor_FingerprintSet_MorganFP_75",
+                                "Descriptor_FingerprintSet_MorganFP_77",
+                                "Descriptor_FingerprintSet_MorganFP_79",
+                                "Descriptor_FingerprintSet_MorganFP_80",
+                                "Descriptor_FingerprintSet_MorganFP_82",
+                                "Descriptor_FingerprintSet_MorganFP_83",
+                                "Descriptor_FingerprintSet_MorganFP_84",
+                                "Descriptor_FingerprintSet_MorganFP_85",
+                                "Descriptor_FingerprintSet_MorganFP_86",
+                                "Descriptor_FingerprintSet_MorganFP_87",
+                                "Descriptor_FingerprintSet_MorganFP_88",
+                                "Descriptor_FingerprintSet_MorganFP_89",
+                                "Descriptor_FingerprintSet_MorganFP_90",
+                                "Descriptor_FingerprintSet_MorganFP_91",
+                                "Descriptor_FingerprintSet_MorganFP_92",
+                                "Descriptor_FingerprintSet_MorganFP_93",
+                                "Descriptor_FingerprintSet_MorganFP_94",
+                                "Descriptor_FingerprintSet_MorganFP_95",
+                                "Descriptor_FingerprintSet_MorganFP_96",
+                                "Descriptor_FingerprintSet_MorganFP_99",
+                                "Descriptor_FingerprintSet_MorganFP_101",
+                                "Descriptor_FingerprintSet_MorganFP_102",
+                                "Descriptor_FingerprintSet_MorganFP_103",
+                                "Descriptor_FingerprintSet_MorganFP_104",
+                                "Descriptor_FingerprintSet_MorganFP_105",
+                                "Descriptor_FingerprintSet_MorganFP_106",
+                                "Descriptor_FingerprintSet_MorganFP_108",
+                                "Descriptor_FingerprintSet_MorganFP_109",
+                                "Descriptor_FingerprintSet_MorganFP_110",
+                                "Descriptor_FingerprintSet_MorganFP_111",
+                                "Descriptor_FingerprintSet_MorganFP_112",
+                                "Descriptor_FingerprintSet_MorganFP_113",
+                                "Descriptor_FingerprintSet_MorganFP_114",
+                                "Descriptor_FingerprintSet_MorganFP_115",
+                                "Descriptor_FingerprintSet_MorganFP_117",
+                                "Descriptor_FingerprintSet_MorganFP_118",
+                                "Descriptor_FingerprintSet_MorganFP_119",
+                                "Descriptor_FingerprintSet_MorganFP_120",
+                                "Descriptor_FingerprintSet_MorganFP_121",
+                                "Descriptor_FingerprintSet_MorganFP_122",
+                                "Descriptor_FingerprintSet_MorganFP_123",
+                                "Descriptor_FingerprintSet_MorganFP_124",
+                                "Descriptor_FingerprintSet_MorganFP_125",
+                                "Descriptor_FingerprintSet_MorganFP_126",
+                                "Descriptor_FingerprintSet_MorganFP_127",
+                                "Descriptor_FingerprintSet_MorganFP_128",
+                                "Descriptor_FingerprintSet_MorganFP_129",
+                                "Descriptor_FingerprintSet_MorganFP_131",
+                                "Descriptor_FingerprintSet_MorganFP_132",
+                                "Descriptor_FingerprintSet_MorganFP_133",
+                                "Descriptor_FingerprintSet_MorganFP_134",
+                                "Descriptor_FingerprintSet_MorganFP_135",
+                                "Descriptor_FingerprintSet_MorganFP_136",
+                                "Descriptor_FingerprintSet_MorganFP_137",
+                                "Descriptor_FingerprintSet_MorganFP_138",
+                                "Descriptor_FingerprintSet_MorganFP_139",
+                                "Descriptor_FingerprintSet_MorganFP_140",
+                                "Descriptor_FingerprintSet_MorganFP_141",
+                                "Descriptor_FingerprintSet_MorganFP_142",
+                                "Descriptor_FingerprintSet_MorganFP_144",
+                                "Descriptor_FingerprintSet_MorganFP_145",
+                                "Descriptor_FingerprintSet_MorganFP_146",
+                                "Descriptor_FingerprintSet_MorganFP_147",
+                                "Descriptor_FingerprintSet_MorganFP_148",
+                                "Descriptor_FingerprintSet_MorganFP_149",
+                                "Descriptor_FingerprintSet_MorganFP_150",
+                                "Descriptor_FingerprintSet_MorganFP_151",
+                                "Descriptor_FingerprintSet_MorganFP_152",
+                                "Descriptor_FingerprintSet_MorganFP_153",
+                                "Descriptor_FingerprintSet_MorganFP_154",
+                                "Descriptor_FingerprintSet_MorganFP_155",
+                                "Descriptor_FingerprintSet_MorganFP_156",
+                                "Descriptor_FingerprintSet_MorganFP_157",
+                                "Descriptor_FingerprintSet_MorganFP_158",
+                                "Descriptor_FingerprintSet_MorganFP_160",
+                                "Descriptor_FingerprintSet_MorganFP_161",
+                                "Descriptor_FingerprintSet_MorganFP_162",
+                                "Descriptor_FingerprintSet_MorganFP_163",
+                                "Descriptor_FingerprintSet_MorganFP_164",
+                                "Descriptor_FingerprintSet_MorganFP_165",
+                                "Descriptor_FingerprintSet_MorganFP_166",
+                                "Descriptor_FingerprintSet_MorganFP_167",
+                                "Descriptor_FingerprintSet_MorganFP_168",
+                                "Descriptor_FingerprintSet_MorganFP_169",
+                                "Descriptor_FingerprintSet_MorganFP_170",
+                                "Descriptor_FingerprintSet_MorganFP_172",
+                                "Descriptor_FingerprintSet_MorganFP_173",
+                                "Descriptor_FingerprintSet_MorganFP_174",
+                                "Descriptor_FingerprintSet_MorganFP_175",
+                                "Descriptor_FingerprintSet_MorganFP_177",
+                                "Descriptor_FingerprintSet_MorganFP_178",
+                                "Descriptor_FingerprintSet_MorganFP_179",
+                                "Descriptor_FingerprintSet_MorganFP_182",
+                                "Descriptor_FingerprintSet_MorganFP_183",
+                                "Descriptor_FingerprintSet_MorganFP_184",
+                                "Descriptor_FingerprintSet_MorganFP_185",
+                                "Descriptor_FingerprintSet_MorganFP_186",
+                                "Descriptor_FingerprintSet_MorganFP_187",
+                                "Descriptor_FingerprintSet_MorganFP_188",
+                                "Descriptor_FingerprintSet_MorganFP_189",
+                                "Descriptor_FingerprintSet_MorganFP_191",
+                                "Descriptor_FingerprintSet_MorganFP_192",
+                                "Descriptor_FingerprintSet_MorganFP_193",
+                                "Descriptor_FingerprintSet_MorganFP_194",
+                                "Descriptor_FingerprintSet_MorganFP_195",
+                                "Descriptor_FingerprintSet_MorganFP_196",
+                                "Descriptor_FingerprintSet_MorganFP_197",
+                                "Descriptor_FingerprintSet_MorganFP_198",
+                                "Descriptor_FingerprintSet_MorganFP_199",
+                                "Descriptor_FingerprintSet_MorganFP_200",
+                                "Descriptor_FingerprintSet_MorganFP_201",
+                                "Descriptor_FingerprintSet_MorganFP_202",
+                                "Descriptor_FingerprintSet_MorganFP_203",
+                                "Descriptor_FingerprintSet_MorganFP_204",
+                                "Descriptor_FingerprintSet_MorganFP_205",
+                                "Descriptor_FingerprintSet_MorganFP_206",
+                                "Descriptor_FingerprintSet_MorganFP_207",
+                                "Descriptor_FingerprintSet_MorganFP_208",
+                                "Descriptor_FingerprintSet_MorganFP_209",
+                                "Descriptor_FingerprintSet_MorganFP_210",
+                                "Descriptor_FingerprintSet_MorganFP_211",
+                                "Descriptor_FingerprintSet_MorganFP_212",
+                                "Descriptor_FingerprintSet_MorganFP_213",
+                                "Descriptor_FingerprintSet_MorganFP_214",
+                                "Descriptor_FingerprintSet_MorganFP_215",
+                                "Descriptor_FingerprintSet_MorganFP_216",
+                                "Descriptor_FingerprintSet_MorganFP_217",
+                                "Descriptor_FingerprintSet_MorganFP_218",
+                                "Descriptor_FingerprintSet_MorganFP_219",
+                                "Descriptor_FingerprintSet_MorganFP_221",
+                                "Descriptor_FingerprintSet_MorganFP_226",
+                                "Descriptor_FingerprintSet_MorganFP_228",
+                                "Descriptor_FingerprintSet_MorganFP_229",
+                                "Descriptor_FingerprintSet_MorganFP_230",
+                                "Descriptor_FingerprintSet_MorganFP_231",
+                                "Descriptor_FingerprintSet_MorganFP_232",
+                                "Descriptor_FingerprintSet_MorganFP_233",
+                                "Descriptor_FingerprintSet_MorganFP_234",
+                                "Descriptor_FingerprintSet_MorganFP_235",
+                                "Descriptor_FingerprintSet_MorganFP_237",
+                                "Descriptor_FingerprintSet_MorganFP_239",
+                                "Descriptor_FingerprintSet_MorganFP_241",
+                                "Descriptor_FingerprintSet_MorganFP_242",
+                                "Descriptor_FingerprintSet_MorganFP_243",
+                                "Descriptor_FingerprintSet_MorganFP_244",
+                                "Descriptor_FingerprintSet_MorganFP_245",
+                                "Descriptor_FingerprintSet_MorganFP_246",
+                                "Descriptor_FingerprintSet_MorganFP_247",
+                                "Descriptor_FingerprintSet_MorganFP_248",
+                                "Descriptor_FingerprintSet_MorganFP_249",
+                                "Descriptor_FingerprintSet_MorganFP_250",
+                                "Descriptor_FingerprintSet_MorganFP_251",
+                                "Descriptor_FingerprintSet_MorganFP_252",
+                                "Descriptor_FingerprintSet_MorganFP_254",
+                                "Descriptor_FingerprintSet_MorganFP_255",
+                                "Descriptor_RDkit_BCUT2D_CHGLO",
+                                "Descriptor_RDkit_EState_VSA1",
+                                "Descriptor_RDkit_EState_VSA7",
+                                "Descriptor_RDkit_FractionCSP3",
+                                "Descriptor_RDkit_MaxAbsEStateIndex",
+                                "Descriptor_RDkit_MaxEStateIndex",
+                                "Descriptor_RDkit_MinPartialCharge",
+                                "Descriptor_RDkit_NumSaturatedHeterocycles",
+                                "Descriptor_RDkit_PEOE_VSA10",
+                                "Descriptor_RDkit_PEOE_VSA11",
+                                "Descriptor_RDkit_PEOE_VSA4",
+                                "Descriptor_RDkit_SlogP_VSA12",
+                                "Descriptor_RDkit_SlogP_VSA4",
+                                "Descriptor_RDkit_fr_ArN",
+                                "Descriptor_RDkit_fr_NH2",
+                                "Descriptor_RDkit_fr_Ndealkylation1",
+                                "Descriptor_RDkit_fr_aryl_methyl",
+                                "Descriptor_RDkit_fr_furan",
+                                "Descriptor_RDkit_fr_imidazole",
+                                "Descriptor_RDkit_fr_piperzine",
+                                "Descriptor_RDkit_fr_thiazole",
+                                "Descriptor_RDkit_fr_thiophene"
+                            ]
+                        ]
+                    },
+                    "versions": {
+                        "py/tuple": [
+                            "sklearn",
+                            "1.2.1"
+                        ]
+                    }
+                }
+            }
+        },
+        "earlyStopping": null,
+        "parameters": {
+            "seed": 478163327
+        },
+        "alg": "xgboost.sklearn.XGBRegressor",
+        "randomState": 478163327,
+        "estimator": "./ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327.json"
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_replica.json b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_replica.json
new file mode 100644
index 00000000..1e5b54ec
--- /dev/null
+++ b/testing/test_consistency/expected/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_replica.json
@@ -0,0 +1,1135 @@
+{
+    "py/object": "qsprpred.benchmarks.replica.Replica",
+    "py/state": {
+        "idx": 1,
+        "name": "ConsistencyChecksREG",
+        "dataSource": {
+            "py/object": "__main__.DataSourceTesting",
+            "name": "ConsistencyChecks",
+            "storeDir": "./data//data"
+        },
+        "descriptors": [
+            {
+                "py/object": "qsprpred.data.descriptors.sets.FingerprintSet",
+                "py/state": {
+                    "_isFP": true,
+                    "fingerprintType": "MorganFP",
+                    "_args": {
+                        "py/tuple": []
+                    },
+                    "_kwargs": {
+                        "radius": 2,
+                        "nBits": 256
+                    },
+                    "_keepindices": [
+                        0,
+                        1,
+                        2,
+                        3,
+                        4,
+                        5,
+                        6,
+                        7,
+                        8,
+                        9,
+                        10,
+                        11,
+                        12,
+                        13,
+                        14,
+                        15,
+                        16,
+                        17,
+                        18,
+                        19,
+                        20,
+                        21,
+                        22,
+                        23,
+                        24,
+                        25,
+                        26,
+                        27,
+                        28,
+                        29,
+                        30,
+                        31,
+                        32,
+                        33,
+                        34,
+                        35,
+                        36,
+                        37,
+                        38,
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+                        40,
+                        41,
+                        42,
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+                        44,
+                        45,
+                        46,
+                        47,
+                        48,
+                        49,
+                        50,
+                        51,
+                        52,
+                        53,
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+                        56,
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+                        58,
+                        59,
+                        60,
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+                        65,
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+                        71,
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+                        "fr_phenol",
+                        "fr_phenol_noOrthoHbond",
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+                        "fr_phos_ester",
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+                        "fr_priamide",
+                        "fr_prisulfonamd",
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+                        "fr_thiophene",
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+                        "fr_urea",
+                        "qed"
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+                }
+            },
+            "feature_fill_value": 0.0,
+            "shuffle": true
+        },
+        "optimizer": null,
+        "assessors": [
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.r2_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "r2_score"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.CrossValAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {
+                            "squared": false
+                        },
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.mean_squared_error"
+                        },
+                        "_sign": -1
+                    },
+                    "name": "mean_squared_error"
+                },
+                "splitMultitaskScores": false,
+                "split": null,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {},
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.r2_score"
+                        },
+                        "_sign": 1
+                    },
+                    "name": "r2_score"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            },
+            {
+                "py/object": "qsprpred.models.assessment_methods.TestSetAssessor",
+                "monitor": {
+                    "py/object": "qsprpred.models.monitors.NullMonitor"
+                },
+                "useProba": true,
+                "mode": null,
+                "scoreFunc": {
+                    "py/object": "qsprpred.models.metrics.SklearnMetrics",
+                    "scorer": {
+                        "py/object": "sklearn.metrics._scorer._PredictScorer",
+                        "_kwargs": {
+                            "squared": false
+                        },
+                        "_score_func": {
+                            "py/function": "sklearn.metrics._regression.mean_squared_error"
+                        },
+                        "_sign": -1
+                    },
+                    "name": "mean_squared_error"
+                },
+                "splitMultitaskScores": false,
+                "round": 5
+            }
+        ],
+        "randomSeed": 478163327,
+        "model": "/home/sichom/projects/QSPRpred/testing/test_consistency/data/models/ConsistencyChecksREG_478163327/ConsistencyChecksREG_478163327_meta.json",
+        "ds": null,
+        "results": null
+    }
+}
\ No newline at end of file
diff --git a/testing/test_consistency/run.sh b/testing/test_consistency/run.sh
new file mode 100755
index 00000000..c494015f
--- /dev/null
+++ b/testing/test_consistency/run.sh
@@ -0,0 +1,11 @@
+#!/bin/bash
+
+set -e
+
+WD=$(pwd)
+
+cd ../test_tutorial && ./prepare.sh && cd "$WD"
+rm -rf ./data
+
+python run_benchmarks.py
+python check_results.py
diff --git a/testing/test_consistency/run_benchmarks.py b/testing/test_consistency/run_benchmarks.py
new file mode 100644
index 00000000..3fa95998
--- /dev/null
+++ b/testing/test_consistency/run_benchmarks.py
@@ -0,0 +1,152 @@
+import os
+
+import pandas as pd
+from sklearn.cross_decomposition import PLSRegression
+from sklearn.ensemble import ExtraTreesClassifier, ExtraTreesRegressor
+from sklearn.naive_bayes import GaussianNB
+from sklearn.preprocessing import StandardScaler
+from xgboost import XGBClassifier, XGBRegressor
+
+from qsprpred import TargetProperty, TargetTasks
+from qsprpred.benchmarks import BenchmarkSettings, DataPrepSettings, BenchmarkRunner
+from qsprpred.data import MoleculeTable, RandomSplit
+from qsprpred.data.descriptors.fingerprints import MorganFP
+from qsprpred.data.descriptors.sets import RDKitDescs
+from qsprpred.data.processing.feature_filters import LowVarianceFilter
+from qsprpred.data.sources import DataSource
+from qsprpred.models import SklearnModel, TestSetAssessor, CrossValAssessor
+
+BASE_DIR = "./data/"
+os.makedirs(BASE_DIR, exist_ok=True)
+SEED = 42
+
+
+class DataSourceTesting(DataSource):
+    """
+    Just a simple wrapper around our tutorial data set.
+    """
+
+    def __init__(self, name: str, store_dir: str):
+        self.name = name
+        self.storeDir = store_dir
+
+    def getData(self, name: str | None = None, **kwargs) -> MoleculeTable:
+        """We just need to fetch a simple `MoleculeTable`.
+        Defining target properties is not necessary. We just need to
+        make sure that the data set contains the target properties we
+        want to use for benchmarking later.
+
+        To make things faster we will sample only 100 molecules each time.
+        This code could also be simplified so that reloading of the file is not necessary.
+        """
+        name = name or self.name
+        return MoleculeTable(
+            df=pd.read_table("../../tutorials/tutorial_data/A2A_LIGANDS.tsv").sample(
+                300, random_state=SEED
+            ),
+            name=name,
+            store_dir=self.storeDir,
+            store_format="csv",
+            **kwargs,
+        )
+
+
+# run classification
+source = DataSourceTesting("ConsistencyChecks", f"{BASE_DIR}/data")
+settings = BenchmarkSettings(
+    name="ConsistencyChecksCLS",
+    n_replicas=1,
+    random_seed=SEED,
+    data_sources=[source],
+    descriptors=[
+        [
+            MorganFP(radius=2, nBits=256),
+            RDKitDescs(),
+        ],
+    ],
+    target_props=[
+        # one or more properties to model
+        [
+            TargetProperty.fromDict(
+                {
+                    "name": "pchembl_value_Mean",
+                    "task": TargetTasks.SINGLECLASS,
+                    "th": [6.5],
+                }
+            )
+        ],
+    ],
+    prep_settings=[
+        DataPrepSettings(
+            split=RandomSplit(test_fraction=0.2),  # random split
+            feature_filters=[LowVarianceFilter(0.05)],
+            feature_standardizer=StandardScaler(),
+        ),
+    ],
+    models=[
+        SklearnModel(
+            name="ExtraTreesClassifier",
+            alg=ExtraTreesClassifier,
+            base_dir=f"{BASE_DIR}/models",
+        ),
+        SklearnModel(
+            name="XGBClassifier",
+            alg=XGBClassifier,
+            base_dir=f"{BASE_DIR}/models",
+        ),
+        SklearnModel(
+            name="GaussianNB",
+            alg=GaussianNB,
+            base_dir=f"{BASE_DIR}/models",
+        ),
+    ],
+    assessors=[
+        CrossValAssessor(scoring="roc_auc"),
+        CrossValAssessor(scoring="matthews_corrcoef", use_proba=False),
+        TestSetAssessor(scoring="roc_auc"),
+        TestSetAssessor(scoring="matthews_corrcoef", use_proba=False),
+    ],
+    optimizers=[],
+)
+runner = BenchmarkRunner(settings, data_dir=f"{BASE_DIR}/CLS")
+runner.run(raise_errors=True)
+
+
+# run regression
+settings.name = "ConsistencyChecksREG"
+settings.target_props = [
+    # one or more properties to model
+    [
+        TargetProperty.fromDict(
+            {
+                "name": "pchembl_value_Mean",
+                "task": TargetTasks.REGRESSION,
+            }
+        )
+    ],
+]
+settings.assessors = [
+    CrossValAssessor(scoring="r2"),
+    CrossValAssessor(scoring="neg_root_mean_squared_error"),
+    TestSetAssessor(scoring="r2"),
+    TestSetAssessor(scoring="neg_root_mean_squared_error"),
+]
+settings.models = [
+    SklearnModel(
+        name="ExtraTreesRegressor",
+        alg=ExtraTreesRegressor,
+        base_dir=f"{BASE_DIR}/models",
+    ),
+    SklearnModel(
+        name="XGBRegressor",
+        alg=XGBRegressor,
+        base_dir=f"{BASE_DIR}/models",
+    ),
+    SklearnModel(
+        name="PLSRegression",
+        alg=PLSRegression,
+        base_dir=f"{BASE_DIR}/models",
+    ),
+]
+runner = BenchmarkRunner(settings, data_dir=f"{BASE_DIR}/REG")
+runner.run(raise_errors=True)
diff --git a/testing/test_pytest/.gitignore b/testing/test_pytest/.gitignore
new file mode 100644
index 00000000..b284d54b
--- /dev/null
+++ b/testing/test_pytest/.gitignore
@@ -0,0 +1 @@
+*_report.xml
\ No newline at end of file
diff --git a/testing/test_pytest/run.sh b/testing/test_pytest/run.sh
new file mode 100755
index 00000000..9fc22fce
--- /dev/null
+++ b/testing/test_pytest/run.sh
@@ -0,0 +1,17 @@
+#!/bin/bash
+
+set -e
+
+export QSPPRED_TEST_SPLIT_UNITS=${QSPPRED_TEST_SPLIT_UNITS:-false}
+export QSPPRED_TEST_EXTRAS=${QSPPRED_TEST_EXTRAS:-true}
+echo "Setting QSPPRED_TEST_SPLIT_UNITS=$QSPPRED_TEST_SPLIT_UNITS"
+echo "Setting QSPPRED_TEST_EXTRAS=$QSPPRED_TEST_EXTRAS"
+
+# run all if QSPPRED_TEST_SPLIT_UNITS is false, otherwise run split
+if [ "$QSPPRED_TEST_SPLIT_UNITS" != "true" ]; then
+  echo "Running all tests at once."
+  ./run_all.sh
+else
+  echo "Running tests in split units."
+  ./run_split.sh
+fi
\ No newline at end of file
diff --git a/testing/test_pytest/run_all.sh b/testing/test_pytest/run_all.sh
new file mode 100755
index 00000000..c64b594a
--- /dev/null
+++ b/testing/test_pytest/run_all.sh
@@ -0,0 +1,14 @@
+#!/bin/bash
+
+set -e
+
+PYTEST_ARGS="-xv"
+REPO_ROOT=$(git rev-parse --show-toplevel)
+IGNORE_ARGS="--ignore=$REPO_ROOT/qsprpred/extra"
+REPORT_FILE="test_report.xml"
+
+# add extra if QSPPRED_TEST_EXTRAS is true
+if [ "$QSPPRED_TEST_EXTRAS" == "true" ]; then
+  IGNORE_ARGS=""
+fi
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred --junitxml="$REPORT_FILE" "$IGNORE_ARGS"
diff --git a/testing/test_pytest/run_split.sh b/testing/test_pytest/run_split.sh
new file mode 100755
index 00000000..effefbad
--- /dev/null
+++ b/testing/test_pytest/run_split.sh
@@ -0,0 +1,19 @@
+#!/bin/bash
+
+set -e
+
+PYTEST_ARGS="-xv"
+REPO_ROOT=$(git rev-parse --show-toplevel)
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/benchmarks
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/data
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/models
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/plotting
+pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/utils
+# only run extras if explicitly requested
+if [ "$QSPPRED_TEST_EXTRAS" == "true" ]; then
+  pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/extra/data/descriptors
+  pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/extra/data/sampling
+  pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/extra/data/tables
+  pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/extra/gpu
+  pytest "${PYTEST_ARGS}" "$REPO_ROOT"/qsprpred/extra/models
+fi
\ No newline at end of file
diff --git a/testing/test_tutorial/prepare.sh b/testing/test_tutorial/prepare.sh
new file mode 100755
index 00000000..4f3e6fe7
--- /dev/null
+++ b/testing/test_tutorial/prepare.sh
@@ -0,0 +1,11 @@
+#!/bin/bash
+
+# prepare tutorial data
+set -e
+
+export DATA_DIR="../../tutorials/tutorial_data"
+
+# Create the dataset if it doesn't exist
+if [ ! -d "${DATA_DIR}/papyrus" ]; then
+    python "${DATA_DIR}/create_tutorial_data.py"
+fi
\ No newline at end of file
diff --git a/testing/test_tutorial/run.sh b/testing/test_tutorial/run.sh
new file mode 100755
index 00000000..12772b1a
--- /dev/null
+++ b/testing/test_tutorial/run.sh
@@ -0,0 +1,14 @@
+#!/bin/bash
+
+# Run all jupyter notebooks in the tutorial directory
+set -e
+
+# prepare tutorial data
+./prepare.sh
+
+# Run each notebook in the directory
+export TUTORIAL_BASE="../../tutorials"
+find $TUTORIAL_BASE -name "*.ipynb" | while read notebook
+do
+    jupyter nbconvert --to notebook --execute "$notebook"
+done
\ No newline at end of file
diff --git a/tutorial/.gitignore b/tutorial/.gitignore
deleted file mode 100644
index 5716ad81..00000000
--- a/tutorial/.gitignore
+++ /dev/null
@@ -1,5 +0,0 @@
-/qspr/
-/figures/
-/CLI/
-/data/
-*.nbconvert.ipynb
\ No newline at end of file
diff --git a/tutorial/README.md b/tutorial/README.md
deleted file mode 100644
index 75ad07a0..00000000
--- a/tutorial/README.md
+++ /dev/null
@@ -1,9 +0,0 @@
-# Tutorial
-
-In the few tutorials listed below, you will learn the basics of the QSPRPred package:
-
-- [Data Preparation](./data_preparation.ipynb) - basic introduction into common QSPRPred data structures
-- [Data Preparation (Advanced)](./data_preparation_advanced.ipynb) - showcase of more advanced data preparation techniques
-- [Model Training](./tutorial_training.ipynb) - showcase of basic model training
-- [Model Prediction](./tutorial_usage.ipynb) - using QSPRPred models in the wild
-- [PCM Modelling](./pcm.ipynb) - a quick guide to PCM modeling
\ No newline at end of file
diff --git a/tutorial/adding_new_components.ipynb b/tutorial/adding_new_components.ipynb
deleted file mode 100644
index fd5141e2..00000000
--- a/tutorial/adding_new_components.ipynb
+++ /dev/null
@@ -1,913 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "# Adding new components\n",
-    "\n",
-    "In this tutorial we will show how to add new components to the QSPRpred package. \n",
-    "QSPRpred is designed to be modular, so that new components can be added easily.\n",
-    "Here we will give some general explanation on how to add new components and give two examples (adding a new descriptor and a new model)."
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## General explanation\n",
-    "\n",
-    "Each module in QSPRpred has a `interfaces.py` file that contains base classes for the components of that module.\n",
-    "These base classes are used to define the interface of the components and to ensure that the components are compatible with the rest of the package.\n",
-    "The base classes are not meant to be used directly, but rather to be subclassed by the user to create new components.\n",
-    "You can see the base classes as a template that you can use to create your own components.\n",
-    "\n",
-    "Steps to add a new component:\n",
-    "1. Find the base class for the component you want to add in the `interfaces.py` file of the module you want to add the component to.\n",
-    "2. Create a new class that inherits from the base class.\n",
-    "3. Implement the abstract methods of the base class in your new class.\n",
-    "4. Check the inputs and outputs of the new methods match the ones defined in the base class (see the docstrings of the base class).\n",
-    "5. Check that your new class is compatible with the rest of the package by running the tests."
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Adding a new descriptor"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Adding a new model"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "Here we will show how to create a new `QSPRModel` that uses GZIP-KNN as the underlying estimator.\n",
-    "Below I added the code for the Gzip KNN algorithm as described in [1], which is a _k_-nearest neighbors algorithm that uses the ncd (normalized compression distance) as the distance metric.\n",
-    "\n",
-    "[1] Jiang, Zhiying et al. 2023. “‘Low-Resource’ Text Classification: A Parameter-Free Classification Method with Compressors.” In Findings of the Association for Computational Linguistics: ACL 2023, Toronto, Canada: Association for Computational Linguistics, 6810–28. https://aclanthology.org/2023.findings-acl.426 (July 14, 2023)."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "['ClassB', 'ClassA', 'ClassB', 'ClassA']\n"
-     ]
-    }
-   ],
-   "source": [
-    "import gzip\n",
-    "import numpy as np\n",
-    "\n",
-    "def gzip_knn(X_train: np.ndarray, y_train: np.ndarray, X_test, k: int = 3):\n",
-    "    \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
-    "    \n",
-    "    Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
-    "\n",
-    "    Args:\n",
-    "        X_train (np.ndarray): training set input (SMILES strings)\n",
-    "        y_train (np.ndarray): training set output (class labels)\n",
-    "        X_train (np.ndarray): test set input (SMILES strings)\n",
-    "        k (int): number of nearest neighbors to consider\n",
-    "        \n",
-    "    Returns:\n",
-    "        predict_class (list[str]): predicted class for each test instance\n",
-    "    \"\"\"\n",
-    "    predicted_class = []\n",
-    "    for (x1) in X_test: \n",
-    "        Cx1 = len(gzip.compress(x1.encode()))\n",
-    "        distance_from_x1 = []\n",
-    "        for (x2) in X_train: \n",
-    "            Cx2 = len(gzip.compress(x2.encode()))\n",
-    "            x1x2 = \"\".join([x1 , x2])\n",
-    "            Cx1x2 = len(gzip.compress(x1x2.encode()))\n",
-    "            ncd = (Cx1x2 - min ( Cx1 , Cx2 )) / max (Cx1 , Cx2)\n",
-    "            distance_from_x1.append(ncd)\n",
-    "        sorted_idx = np.argsort(np.array(distance_from_x1))\n",
-    "        top_k_class = y_train[sorted_idx[:k]]\n",
-    "        predicted_class.append(max(set(top_k_class), key = list(top_k_class).count))\n",
-    "    return predicted_class\n",
-    "\n",
-    "\n",
-    "# Example training set\n",
-    "smiles_train = np.array([\"c1ccccc1\", \"c1ccccc1C\",\"c1ccccc1CC\",\"c1ccccc1CCC\",\"Fc1ccccc1F\",\"Clc1ccccc1Cl\"])\n",
-    "train_class = np.array([\"ClassA\", \"ClassB\", \"ClassA\", \"ClassB\", \"ClassB\", \"ClassB\"])\n",
-    "smiles_test = np.array([\"c1ccccc1\", \"c1ccccc1C\", \"c1ccccc1F\", \"CCX\"])\n",
-    "\n",
-    "print(gzip_knn(X_train=smiles_train, y_train=train_class, X_test=smiles_test))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "As we want to use this algorithm to do cross-validation and hyperparameter optimization, let's have a quick look if we can speed up the algorithm by replacing the double for loop with a vectorized implementation. Also we will return the class probabilities in addition to the predicted class, by dividing the number of neighbors of each class by the total number of neighbors in the majority voting."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 7,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "from itertools import product\n",
-    "\n",
-    "def gzip_knn_fast(X_train, y_train, X_test, k: int = 3):\n",
-    "    \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
-    "    \n",
-    "    Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
-    "\n",
-    "    Args:\n",
-    "        X_train (np.ndarray): training set input (SMILES strings)\n",
-    "        y_train (np.ndarray): training set output (class labels)\n",
-    "        X_train (np.ndarray): test set input (SMILES strings)\n",
-    "        k (int): number of nearest neighbors to consider\n",
-    "        \n",
-    "    Returns:\n",
-    "        predict_class (list[str]): predicted class for each test instance\n",
-    "    \"\"\"\n",
-    "    classes = np.unique(y_train)\n",
-    "    class_label_map = {c: i for i, c in enumerate(classes)}\n",
-    "    class_probabilities = []\n",
-    "    predicted_class = []\n",
-    "\n",
-    "    # Convert class labels to integers\n",
-    "    training_labels = np.array([class_label_map[label] for label in y_train])\n",
-    "\n",
-    "    # Compute compressed lengths for training set and test set\n",
-    "    training_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in X_train])\n",
-    "    test_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in X_test])\n",
-    "\n",
-    "    # Combine sets and compute compressed lengths\n",
-    "    combined_strings = np.array(list(map(''.join, product(X_test, X_train))))\n",
-    "    combined_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in combined_strings]).reshape(len(X_test), len(X_train))\n",
-    "\n",
-    "    # Compute NCD matrix\n",
-    "    ncd_matrix = (combined_compressed_lengths - np.minimum.outer(test_compressed_lengths, training_compressed_lengths)) / np.maximum.outer(test_compressed_lengths, training_compressed_lengths)\n",
-    "\n",
-    "    # Find the top-k classes for each test instance\n",
-    "    top_k_indices = np.argsort(ncd_matrix, axis=1)[:, :k]\n",
-    "    top_k_classes = training_labels[top_k_indices]\n",
-    "\n",
-    "    # Compute predicted class and class probabilities\n",
-    "    predicted_class = np.array([np.argmax(np.bincount(row)) for row in top_k_classes])\n",
-    "    class_probabilities = np.array([np.bincount(row, minlength=len(classes)) / k for row in top_k_classes])\n",
-    "\n",
-    "    # Map predicted class back to original labels\n",
-    "    predicted_class = np.array([classes[label] for label in predicted_class])\n",
-    "\n",
-    "    return predicted_class, class_probabilities"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "2.5843652000185102\n",
-      "1.2907820999389514\n"
-     ]
-    }
-   ],
-   "source": [
-    "# test speed of gzip_knn\n",
-    "\n",
-    "# create larger training set\n",
-    "TRAIN_SIZE, TEST_SIZE, REPEATS = 1000, 100, 1\n",
-    "smiles_train_large = np.array([\"c1ccccc1\"] * TRAIN_SIZE)\n",
-    "train_class_large = np.array([np.random.choice([\"ClassA\", \"ClassB\", \"ClassC\"]) for i in range(TRAIN_SIZE)])\n",
-    "smiles_test_large = np.array([\"c1ccccc1\"] * TEST_SIZE)\n",
-    "\n",
-    "# original gzip_knn\n",
-    "import timeit\n",
-    "print(timeit.timeit(lambda: gzip_knn(X_train=smiles_train_large, y_train=train_class_large, X_test=smiles_test_large), number=REPEATS) / REPEATS)\n",
-    "\n",
-    "# faster gzip_knn\n",
-    "print(timeit.timeit(lambda: gzip_knn_fast(X_train=smiles_train_large, y_train=train_class_large, X_test=smiles_test_large), number=REPEATS) / REPEATS)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "This significantly speeds up the algorithm, so let's continue with the second implementation. \n",
-    "\n",
-    "Now for the implementation of the `QSPRModel` Gzip KNN, we find the base class for models `QSPRModels` in the `interfaces.py` file of the `models` module.\n",
-    "In the `models.py` file of the `models` module you can also find an example of a model that inherits from the base class `QSPRSklearn`, which uses estimators from the `scikit-learn` package.\n",
-    "\n",
-    "There are six abstract methods that need to be implemented from `QSPRModel` class in our new class `GzipKNNModel`:\n",
-    "- `fit`, which trains the model\n",
-    "- `predict`, which makes predictions with the trained model\n",
-    "- `predictProba`, which makes probability predictions with the trained model (classification only)\n",
-    "- `loadEstimator`, which loads a new estimator instance from given parameters\n",
-    "- `loadEstimatorFromFile`, wich loads a new estimator instance from a file\n",
-    "- `saveEstimator`, which saves the estimator instance to a file\n",
-    "\n",
-    "But before we implement these methods, we just re-write the algorithm as a class so that we can use it as an estimator in the `GzipKNNModel` class. The only thing that is added here is an `__init__` method, to save some parameters of the algorithm, for example to use in the `saveEstimator` method."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "(array(['ClassB', 'ClassA', 'ClassB', 'ClassA'], dtype='<U6'), array([[0.33333333, 0.66666667],\n",
-      "       [0.66666667, 0.33333333],\n",
-      "       [0.33333333, 0.66666667],\n",
-      "       [0.66666667, 0.33333333]]))\n"
-     ]
-    }
-   ],
-   "source": [
-    "import gzip\n",
-    "import numpy as np\n",
-    "from typing import Tuple\n",
-    "from itertools import product\n",
-    "\n",
-    "class GzipKNNAlgorithm():\n",
-    "    \"\"\"A KNN algorithm using the NCD metric to calculate the distance between two strings.\n",
-    "    \n",
-    "    Attributes:\n",
-    "        k (int): number of nearest neighbors to consider\n",
-    "        X_train (np.ndarray): training set input (SMILES strings)\n",
-    "        y_train (np.ndarray): training set output (class labels)\n",
-    "    \"\"\"\n",
-    "    \n",
-    "    def __init__(self, k: int = 3):\n",
-    "        \"\"\"Initialize the gzip knn algorithm.\n",
-    "        \n",
-    "        Args:\n",
-    "            k (int): number of nearest neighbors to consider\n",
-    "        \"\"\"\n",
-    "        self.k = k\n",
-    "        self.X_train = None\n",
-    "        self.y_train = None\n",
-    "    \n",
-    "    def __call__(self, X_test: np.ndarray) -> Tuple[list[str | int], list[list[float]]]:\n",
-    "        \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
-    "    \n",
-    "        Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
-    "        \n",
-    "        Args:\n",
-    "            X_test (np.ndarray): test set input (SMILES strings)\n",
-    "            \n",
-    "        Returns:\n",
-    "            predict_class (list): predicted class for each test instance\n",
-    "            class_probabilities (list): probability of each class for each test instance\n",
-    "        \"\"\"\n",
-    "        # Convert class labels to integers\n",
-    "        classes = np.unique(self.y_train)\n",
-    "        class_label_map = {c: i for i, c in enumerate(classes)}\n",
-    "        class_probabilities = []\n",
-    "        predicted_class = []\n",
-    "\n",
-    "        # Convert class labels to integers\n",
-    "        training_labels = np.array([class_label_map[label] for label in self.y_train])\n",
-    "\n",
-    "        # Compute compressed lengths for training set and test set\n",
-    "        training_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in self.X_train])\n",
-    "        test_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in X_test])\n",
-    "\n",
-    "        # Combine sets and compute compressed lengths\n",
-    "        combined_strings = np.array(list(map(''.join, product(X_test, self.X_train))))\n",
-    "        combined_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in combined_strings]).reshape(len(X_test), len(self.X_train))\n",
-    "\n",
-    "        # Compute NCD matrix\n",
-    "        ncd_matrix = (combined_compressed_lengths - np.minimum.outer(test_compressed_lengths, training_compressed_lengths)) / np.maximum.outer(test_compressed_lengths, training_compressed_lengths)\n",
-    "\n",
-    "        # Find the top-k classes for each test instance\n",
-    "        top_k_indices = np.argsort(ncd_matrix, axis=1)[:, :self.k]\n",
-    "        top_k_classes = training_labels[top_k_indices]\n",
-    "\n",
-    "        # Compute predicted class and class probabilities\n",
-    "        predicted_class = np.array([np.argmax(np.bincount(row)) for row in top_k_classes])\n",
-    "        class_probabilities = np.array([np.bincount(row, minlength=len(classes)) / self.k for row in top_k_classes])\n",
-    "\n",
-    "        # Map predicted class back to original labels\n",
-    "        predicted_class = np.array([classes[label] for label in predicted_class])\n",
-    "\n",
-    "        return predicted_class, class_probabilities\n",
-    "\n",
-    "k = 3\n",
-    "gzip_knn = GzipKNNAlgorithm(k)\n",
-    "gzip_knn.X_train = smiles_train\n",
-    "gzip_knn.y_train = train_class\n",
-    "print(gzip_knn(X_test=smiles_test))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "Finally, we create the `GzipKNNModel` class that inherits from the `QSPRModel` class and implements the six methods mentioned above.\n",
-    "\n",
-    "For each method we make sure the inputs and output correspond with the types given in the abstract methods in `QSPRModel`. The methods are implemented as follows:\n",
-    "- `fit`: as this is a lazy learner, we only need to save the training data\n",
-    "- `predict`: we use the `call` method of the `GzipKNNAlgorithm` class to make predictions for the test data,\n",
-    "             we also make sure that the input data is in the correct format (numpy array) and a new estimator instance is created if needed.\n",
-    "- `predictProba`: The same as `predict`, but here we use the returned class_probabilities instead of the predicted class,\n",
-    "                  and we make sure these are returned as a list of numpy arrays.\n",
-    "- `loadEstimator`: we instantiate a new `GzipKNNAlgorithm` instance with the given parameters.\n",
-    "- `loadEstimatorFromFile`: we load a new estimator instance from file, using the json file saved with the             `saveEstimator`  method. It will also load the attached training data if the `fit` method was called before saving.\n",
-    "- `saveEstimator`: we save the estimator instance to a json file, so that it can be loaded later with the `loadEstimatorFromFile` method.\n",
-    "\n",
-    "We also add an __init__ method to the `GzipKNNModel` class, to specify that this model can only be used for single task classification.\n"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "from qsprpred.data.data import QSPRDataset\n",
-    "from qsprpred.models.interfaces import QSPRModel\n",
-    "from qsprpred.models.tasks import ModelTasks\n",
-    "import numpy as np\n",
-    "import pandas as pd\n",
-    "from typing import Any, Optional, Type\n",
-    "import os\n",
-    "import json\n",
-    "\n",
-    "class GzipKNNModel(QSPRModel):\n",
-    "    \"\"\"GzipKNNModel class for K-Nearest Neighbors with NCD distance metric.\"\"\"\n",
-    "    \n",
-    "    def __init__(\n",
-    "        self,\n",
-    "        base_dir: str,\n",
-    "        data: Optional[QSPRDataset] = None,\n",
-    "        name: Optional[str] = None,\n",
-    "        parameters: Optional[dict] = None,\n",
-    "        autoload=True\n",
-    "    ):\n",
-    "        \"\"\"Initialize a QSPR model instance.\n",
-    "\n",
-    "        If the model is loaded from file, the data set is not required.\n",
-    "        Note that the data set is required for fitting and optimization.\n",
-    "\n",
-    "        Args:\n",
-    "            base_dir (str):\n",
-    "                base directory of the model,\n",
-    "                the model files are stored in a subdirectory `{baseDir}/{outDir}/`\n",
-    "            data (QSPRDataset): data set used to train the model\n",
-    "            name (str): name of the model\n",
-    "            parameters (dict): dictionary of algorithm specific parameters\n",
-    "            autoload (bool):\n",
-    "                if `True`, the estimator is loaded from the serialized file\n",
-    "                if it exists, otherwise a new instance of alg is created\n",
-    "        \"\"\"\n",
-    "        super().__init__(base_dir, GzipKNNAlgorithm, data, name, parameters, autoload)\n",
-    "        \n",
-    "        # assert modeltask is one of the supported tasks\n",
-    "        assert self.task in [ModelTasks.SINGLECLASS, ModelTasks.MULTICLASS], f\"Model task {self.task} is not supported by this model.\"\n",
-    "    \n",
-    "    @property\n",
-    "    def supportsEarlyStopping(self) -> bool:\n",
-    "        \"\"\"Check if the model supports early stopping.\n",
-    "        \n",
-    "        Returns:\n",
-    "            (bool): whether the model supports early stopping or not\n",
-    "        \"\"\"\n",
-    "        return False\n",
-    "\n",
-    "    def fit(\n",
-    "        self,\n",
-    "        X: pd.DataFrame | np.ndarray | QSPRDataset,\n",
-    "        y: pd.DataFrame | np.ndarray | QSPRDataset,\n",
-    "        estimator: Type[GzipKNNAlgorithm] = None,\n",
-    "        mode: Any = None,\n",
-    "        **kwargs\n",
-    "    ) -> GzipKNNAlgorithm:\n",
-    "        \"\"\"Fit the model to the given data matrix or `QSPRDataset`.\n",
-    "\n",
-    "        Args:\n",
-    "            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to fit\n",
-    "            y (pd.DataFrame, np.ndarray, QSPRDataset): target matrix to fit\n",
-    "            estimator (Any): estimator instance to use for fitting\n",
-    "            early_stopping (bool): if True, early stopping is used\n",
-    "            kwargs: additional keyword arguments for the fit function\n",
-    "\n",
-    "        Returns:\n",
-    "            (GzipKNNAlgorithm): fitted estimator instance\n",
-    "        \"\"\"\n",
-    "        estimator = self.estimator if estimator is None else estimator\n",
-    "        X, y = self.convertToNumpy(X, y)\n",
-    "        \n",
-    "        # set training set in estimator\n",
-    "        estimator.X_train = X.flatten()\n",
-    "        estimator.y_train = y.flatten()\n",
-    "        \n",
-    "        return estimator\n",
-    "\n",
-    "    def predict(\n",
-    "        self,\n",
-    "        X: pd.DataFrame | np.ndarray | QSPRDataset,\n",
-    "        estimator: Any = None\n",
-    "    ) -> np.ndarray:\n",
-    "        \"\"\"Make predictions for the given data matrix or `QSPRDataset`.\n",
-    "\n",
-    "        Args:\n",
-    "            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to predict\n",
-    "            estimator (Any): estimator instance to use for fitting\n",
-    "\n",
-    "        Returns:\n",
-    "            np.ndarray:\n",
-    "                2D array containing the predictions, where each row corresponds\n",
-    "                to a sample in the data and each column to a target property\n",
-    "        \"\"\"\n",
-    "        estimator = self.estimator if estimator is None else estimator\n",
-    "        X = self.convertToNumpy(X)\n",
-    "        \n",
-    "        preds, _ = estimator(X.flatten())\n",
-    "        return preds\n",
-    "    \n",
-    "    def predictProba(\n",
-    "        self,\n",
-    "        X: pd.DataFrame | np.ndarray | QSPRDataset,\n",
-    "        estimator: Any = None\n",
-    "    ):\n",
-    "        \"\"\"See `QSPRModel.predictProba`.\"\"\"\n",
-    "        estimator = self.estimator if estimator is None else estimator\n",
-    "        X = self.convertToNumpy(X)\n",
-    "        \n",
-    "        _, proba = estimator(X.flatten())\n",
-    "        return [proba] # list of np.ndarray\n",
-    "    \n",
-    "    def loadEstimator(self, params: Optional[dict] = None) -> object:\n",
-    "        \"\"\"Initialize estimator instance with the given parameters.\n",
-    "\n",
-    "        If `params` is `None`, the default parameters will be used.\n",
-    "\n",
-    "        Arguments:\n",
-    "            params (dict): algorithm parameters\n",
-    "\n",
-    "        Returns:\n",
-    "            object: initialized estimator instance\n",
-    "        \"\"\"\n",
-    "        new_parameters = self.getParameters(params) # combine self.parameters and params\n",
-    "        if new_parameters is not None:\n",
-    "            return self.alg(**new_parameters)\n",
-    "        else:\n",
-    "            return self.alg()\n",
-    "\n",
-    "    def loadEstimatorFromFile(self, params: Optional[dict] = None, fallback_load=True) -> object:\n",
-    "        \"\"\"Load estimator instance from file and apply the given parameters.\n",
-    "\n",
-    "        Args:\n",
-    "            params (dict): algorithm parameters\n",
-    "\n",
-    "        Returns:\n",
-    "            object: initialized estimator instance\n",
-    "        \"\"\"\n",
-    "        path = f\"{self.outPrefix}.json\"\n",
-    "        if os.path.isfile(path):\n",
-    "            with open(path, \"r\") as f:\n",
-    "                loaded_dict = json.load(f)\n",
-    "                X_train = np.array(loaded_dict[\"X_train\"]) if loaded_dict[\"X_train\"] is not None else None\n",
-    "                y_train = np.array(loaded_dict[\"y_train\"]) if loaded_dict[\"y_train\"] is not None else None\n",
-    "                loaded_params = loaded_dict[\"parameters\"]\n",
-    "            if params is not None:\n",
-    "                loaded_params.update(params)\n",
-    "            \n",
-    "            estimator = self.loadEstimator(loaded_params)\n",
-    "            estimator.X_train = X_train\n",
-    "            estimator.y_train = y_train\n",
-    "        elif fallback_load:\n",
-    "            return self.loadEstimator(params)\n",
-    "        else:\n",
-    "            raise FileNotFoundError(\n",
-    "                f\"No estimator found at {path}, loading estimator from file failed.\"\n",
-    "            )\n",
-    "\n",
-    "    def saveEstimator(self) -> str:\n",
-    "        \"\"\"Save the underlying estimator to file.\n",
-    "\n",
-    "        Returns:\n",
-    "            path (str): path to the saved estimator\n",
-    "        \"\"\"\n",
-    "        estimator_path = f\"{self.outPrefix}.json\"\n",
-    "        \n",
-    "        param_dictionary = {\"parameters\": {\"k\" : self.estimator.k},\n",
-    "                            \"X_train\": self.estimator.X_train.tolist() if self.estimator.X_train is not None else None,\n",
-    "                            \"y_train\": self.estimator.y_train.tolist() if self.estimator.y_train is not None else None}\n",
-    "        \n",
-    "        with open(estimator_path, \"w\") as outfile:\n",
-    "            json.dump(param_dictionary, outfile)\n",
-    "        \n",
-    "        return estimator_path\n"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Try it out\n",
-    "\n",
-    "Now that we have added a new model, we can try it out on the dataset we used in the previous tutorial\n",
-    "and have a look at the performance."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 3\n",
-      "Total size: 33.0MB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "42de4f942d1b4b65bd0b7f42021026a9",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Using existing data from data\\A2A_LIGANDS.tsv...\n",
-      "Number of samples loaded: 4082\n"
-     ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Could not convert descriptor values to <class 'numpy.float32'>. Keeping original dtype.\n",
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Number of samples train set: 3265\n",
-      "Number of samples test set: 817, 20.014698677119057%\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.datasplitters import ScaffoldSplit\n",
-    "from qsprpred.data.utils.descriptorcalculator import CustomDescriptorsCalculator, DescriptorsCalculator\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "from qsprpred.data.utils.descriptorsets import DataFrameDescriptorSet, SmilesDesc\n",
-    "from qsprpred.data.utils.scaffolds import Murcko\n",
-    "\n",
-    "from datasets import A2AR\n",
-    "\n",
-    "# intialize the dataset\n",
-    "dataset = A2AR()\n",
-    "\n",
-    "dataset.prepareDataset(\n",
-    "    feature_calculators=[MoleculeDescriptorsCalculator(desc_sets= [SmilesDesc()])],\n",
-    "    split=ScaffoldSplit(dataset=dataset, scaffold=Murcko(), test_fraction=0.2),\n",
-    ")\n",
-    "\n",
-    "# save the data set if you do not want to recalculate descriptors\n",
-    "dataset.save()\n",
-    "\n",
-    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
-    "print(f\"Number of samples test set: {len(dataset.y_ind)}, {len(dataset.y_ind) / len(dataset.df) * 100}%\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "import logging\n",
-    "logging.basicConfig(level=logging.INFO,\n",
-    "                    force = True)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "INFO:qsprpred:Model fit started: 2023-08-08 16:06:02\n",
-      "INFO:qsprpred:Model fit ended: 2023-08-08 16:06:02\n",
-      "INFO:qsprpred:saving model parameters to file: qspr/models/GzipKNN/GzipKNN_params.json\n",
-      "INFO:qsprpred:saving model metadata to file: qspr/models/GzipKNN/GzipKNN_meta.json\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "'qspr/models/GzipKNN/GzipKNN_meta.json'"
-      ]
-     },
-     "execution_count": 11,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.hyperparam_optimization import GridSearchOptimization\n",
-    "from qsprpred.models.assessment_methods import CrossValAssessor, TestSetAssessor\n",
-    "from qsprpred.models.metrics import SklearnMetric\n",
-    "\n",
-    "model = GzipKNNModel(\n",
-    "    base_dir='qspr/models/',\n",
-    "    data=dataset, \n",
-    "    name=\"GzipKNN\"\n",
-    ")\n",
-    "\n",
-    "model.loadEstimatorFromFile()\n",
-    "score_func = SklearnMetric.getDefaultMetric(model.task)\n",
-    "\n",
-    "# hyperparameter optimization is commented out because it takes a long time, but you can uncomment it to try it out\n",
-    "# params = {'k': [3,5,8,10]}\n",
-    "# gridsearcher = GridSearchOptimization(scoring = score_func, param_grid=params)\n",
-    "# best_params = gridsearcher.optimize(model)\n",
-    "\n",
-    "CrossValAssessor()(model)\n",
-    "TestSetAssessor()(model)\n",
-    "model.fitAttached()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 12,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 12,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import ROCPlot\n",
-    "\n",
-    "plot = ROCPlot([model])\n",
-    "plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"cv\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 13,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import ROCPlot\n",
-    "\n",
-    "plot = ROCPlot([model])\n",
-    "plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"ind\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 14,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import MetricsPlot\n",
-    "\n",
-    "plot = MetricsPlot([model])\n",
-    "figs, summary = plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", out_dir=\"qspr/models/\")"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "qsprpred",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.11"
-  },
-  "orig_nbformat": 4
- },
- "nbformat": 4,
- "nbformat_minor": 2
-}
diff --git a/tutorial/data/parkinsons_dp_original.csv b/tutorial/data/parkinsons_dp_original.csv
deleted file mode 100644
index 190ddba7..00000000
--- a/tutorial/data/parkinsons_dp_original.csv
+++ /dev/null
@@ -1,23547 +0,0 @@
-Activity_ID,Quality,source,CID,SMILES,connectivity,InChIKey,InChI,InChI_AuxInfo,target_id,accession,Protein_Type,AID,doc_id,Year,all_doc_ids,all_years,type_IC50,type_EC50,type_KD,type_Ki,type_other,Activity_class,relation,pchembl_value,pchembl_value_Mean,pchembl_value_StdDev,pchembl_value_SEM,pchembl_value_N,pchembl_value_Median,pchembl_value_MAD
-AADIDHFXTKJENY_on_Q14833_WT,High,ChEMBL30,CHEMBL4243630,Cn1ncc2c1ccc(Nc1c3ncccc3n[nH]1)c2,AADIDHFXTKJENY,AADIDHFXTKJENY-UHFFFAOYSA-N,"InChI=1S/C14H12N6/c1-20-12-5-4-10(7-9(12)8-16-20)17-14-13-11(18-19-14)3-2-6-15-13/h2-8H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,15,16,8,7,14,20,4,5,9,17,6,12,11,13,3,10,18,19,2/rA:20CNNCCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-AAFSKEFGDRAMBU_on_P18507_WT,Low,ChEMBL30,CHEMBL566357,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(F)c3)-n2cn1,AAFSKEFGDRAMBU,AAFSKEFGDRAMBU-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-AAFSKEFGDRAMBU_on_P28472_WT,Low,ChEMBL30,CHEMBL566357,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(F)c3)-n2cn1,AAFSKEFGDRAMBU,AAFSKEFGDRAMBU-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-AAFSKEFGDRAMBU_on_P31644_WT,Low,ChEMBL30,CHEMBL566357,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(F)c3)-n2cn1,AAFSKEFGDRAMBU,AAFSKEFGDRAMBU-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-AAFXZNIGLSLXPH_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681887,Fc1c(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cccc1,AAFXZNIGLSLXPH,AAFXZNIGLSLXPH-UHFFFAOYSA-N,"InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2","""AuxInfo=1/0/N:13,23,14,28,22,27,12,24,15,29,21,26,18,10,11,25,7,16,2,20,3,6,8,17,1,19,5,4,9/rA:29FCCNNCCCOCCCCCCCClCNCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s16;s7;d18;s19;d20;s21;d22;s23;s6s20d24;s3;d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AAFXZNIGLSLXPH_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681887,Fc1c(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cccc1,AAFXZNIGLSLXPH,AAFXZNIGLSLXPH-UHFFFAOYSA-N,"InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2","""AuxInfo=1/0/N:13,23,14,28,22,27,12,24,15,29,21,26,18,10,11,25,7,16,2,20,3,6,8,17,1,19,5,4,9/rA:29FCCNNCCCOCCCCCCCClCNCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s16;s7;d18;s19;d20;s21;d22;s23;s6s20d24;s3;d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-AAHOKZZOQDIZPP_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647574,COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F,AAHOKZZOQDIZPP,AAHOKZZOQDIZPP-UHFFFAOYSA-N,"InChI=1S/C24H23FN4O3S/c1-14(2)33(30,31)17-7-8-18(22(11-17)32-3)19-10-15(4-9-21(19)25)20-12-27-28-24-23(20)26-13-29(24)16-5-6-16/h4,7-14,16H,5-6H2,1-3H3","""AuxInfo=1/0/N:10,11,1,30,28,29,12,13,31,16,4,19,25,9,17,27,5,14,15,18,32,3,23,22,33,24,20,21,26,7,8,2,6/E:(1,2)(5,6)(30,31)/CRV:33.6/rA:33COCCCSOOCCCCCCCCCCCNNCCNCNCCCCCCF/rB:s1;s2;d3;s4;s5;d6;d6;s6;s9;s9;d5;s12;s3d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s22s25;s26;s27;s27s28;d17;s30;s15d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-AAKLRBVEVQENTE_on_O15399_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_O60391_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_Q05586_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_Q12879_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_Q13224_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AAKLRBVEVQENTE_on_Q14957_WT,Low,ChEMBL30,CHEMBL314469,NC1=Nc2c(cccc2)CN1c1ccccc1,AAKLRBVEVQENTE,AAKLRBVEVQENTE-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c15-14-16-13-9-5-4-6-11(13)10-17(14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,15,16)","""AuxInfo=1/1/N:15,14,16,7,8,6,13,17,9,10,5,12,4,2,1,3,11/E:(2,3)(7,8)/rA:17NCNCCCCCCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;s2s10;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AANJEGNNNSDLGW_on_O00591_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_O14764_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P14867_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P18505_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P18507_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P28472_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P31644_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P34903_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P47869_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P47870_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P48169_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_P78334_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_Q16445_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AANJEGNNNSDLGW_on_Q99928_WT,Low,ChEMBL30,CHEMBL32364,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2,AANJEGNNNSDLGW,AANJEGNNNSDLGW-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-11-5-2-6-13-15(11)12(18)8-14(21-13)9-3-1-4-10(7-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,20,13,11,19,21,6,3,5,7,17,2,15,4,16,18,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCBrCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685383,PMID:10780899,2000.0,PMID:10780899,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AAOVKJBEBIDNHE_on_O00591_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287;CHEMBL654251;CHEMBL650829;CHEMBL678606;CHEMBL839964;CHEMBL857664;CHEMBL654255,PMID:6127410,1982.0,PMID:6127410;DOI:10.1016/0960-894X(95)00418-S;PMID:12477354;DOI:10.1016/S0960-894X(01)80991-4;PMID:15828832;PMID:16250647;DOI:10.1016/0960-894X(95)00417-R,1982;1995;2002;1993;2005;2005;1995,1;1;0;1;0;1;1,0,0,0;0;1;0;1;0;0,0,,=,  8.090;  7.850;  8.000;  4.130;  8.000;  7.920;  7.850,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_O14764_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606;CHEMBL839964;CHEMBL857664;CHEMBL654255;CHEMBL650829;CHEMBL883287;CHEMBL654251,PMID:6127410,1982.0,DOI:10.1016/S0960-894X(01)80991-4;PMID:15828832;PMID:16250647;DOI:10.1016/0960-894X(95)00417-R;PMID:12477354;PMID:6127410;DOI:10.1016/0960-894X(95)00418-S,1993;2005;2005;1995;2002;1982;1995,1;0;1;1;0;1;1,0,0,0;1;0;0;1;0;0,0,,=,  4.130;  8.000;  7.920;  7.850;  8.000;  8.090;  7.850,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_P14867_WT,High,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:6127410,1982.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-AAOVKJBEBIDNHE_on_P18505_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654255;CHEMBL650829;CHEMBL857664;CHEMBL839964;CHEMBL678606;CHEMBL654251;CHEMBL883287;CHEMBL861815,PMID:6127410,1982.0,DOI:10.1016/0960-894X(95)00417-R;PMID:12477354;PMID:16250647;PMID:15828832;DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00418-S;PMID:6127410;PMID:16610795,1995;2002;2005;2005;1993;1995;1982;2006,1;0;1;0;1;1;1;0,0,0,0;1;0;1;0;0;0;1,0,,=,  7.850;  8.000;  7.920;  8.000;  4.130;  7.850;  8.090;  7.920,7.47,1.265,0.478,8.0,7.92,0.075
-AAOVKJBEBIDNHE_on_P18507_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680431;CHEMBL678745;CHEMBL681841;CHEMBL678329;CHEMBL829005;CHEMBL4716928;CHEMBL678606;CHEMBL677847;CHEMBL680669;CHEMBL683022;CHEMBL677034;CHEMBL883287;CHEMBL864004;CHEMBL677024;CHEMBL654251;CHEMBL680432;CHEMBL682709;CHEMBL830420;CHEMBL861816;CHEMBL1638615;CHEMBL1638616;CHEMBL1638613;CHEMBL1638614;CHEMBL681248;CHEMBL861815;CHEMBL839964;CHEMBL864003;CHEMBL853070;CHEMBL676826;CHEMBL682251;CHEMBL2327962;CHEMBL864005;CHEMBL654255;CHEMBL682708;CHEMBL681480;CHEMBL864002;CHEMBL857664;CHEMBL829006;CHEMBL830421;CHEMBL919087;CHEMBL919088;CHEMBL919089;CHEMBL853068;CHEMBL678741;CHEMBL650829,PMID:6127410,1982.0,PMID:10890169;PMID:15027873;PMID:15027873;PMID:10633039;PMID:15743180;PMID:26791864;DOI:10.1016/S0960-894X(01)80991-4;PMID:10890169;PMID:15214791;PMID:8568803;PMID:15214791;PMID:6127410;PMID:16392789;PMID:8568803;DOI:10.1016/0960-894X(95)00418-S;PMID:15214791;PMID:15214791;PMID:15743180;PMID:16610795;PMID:20980155;PMID:20980155;PMID:20980155;PMID:20980155;PMID:10633039;PMID:16610795;PMID:15828832;PMID:16392789;PMID:16480260;PMID:15027873;PMID:10633039;PMID:23121096;PMID:16392789;DOI:10.1016/0960-894X(95)00417-R;PMID:10890169;PMID:10633039;PMID:16392789;PMID:16250647;PMID:15743180;PMID:15743180;PMID:16279764;PMID:16279764;PMID:16279764;PMID:16480260;PMID:15027873;PMID:12477354,2000;2004;2004;2000;2005;2016;1993;2000;2004;1996;2004;1982;2006;1996;1995;2004;2004;2005;2006;2010;2010;2010;2010;2000;2006;2005;2006;2006;2004;2000;2013;2006;1995;2000;2000;2006;2005;2005;2005;2005;2005;2005;2006;2004;2002,0;0;0;0;0;0;1;0;0;0;0;1;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;0;1;0;0;0;1;0;0;0;0;0;0;0;0,0;0;0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;1;1;1;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,1;1;1;1;1;0;0;1;1;1;1;0;1;1;0;1;1;1;1;0;0;0;0;1;1;1;1;1;1;1;0;1;0;1;1;1;0;1;1;1;1;1;1;1;1,0,,=,  7.480;  7.960;  7.700;  7.850;  8.180;  7.000;  4.130;  7.920;  7.950;  8.000;  7.840;  8.090;  7.480;  7.890;  7.850;  7.620;  7.580;  7.480;  7.850;  6.880;  7.350;  7.070;  7.460;  7.700;  7.920;  8.000;  8.180;  7.480;  7.850;  7.820;  7.770;  7.960;  7.850;  8.180;  7.960;  7.890;  7.920;  7.890;  7.960;  7.850;  7.700;  7.820;  7.890;  7.820;  8.000,7.689,0.608,0.092,45.0,7.85,0.11
-AAOVKJBEBIDNHE_on_P28472_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919089;CHEMBL919088;CHEMBL919087;CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432;CHEMBL883287;CHEMBL654251;CHEMBL853070;CHEMBL853068;CHEMBL864003;CHEMBL1638615;CHEMBL1638616;CHEMBL864004;CHEMBL1638614;CHEMBL864005;CHEMBL2327962;CHEMBL678606;CHEMBL650829;CHEMBL681480;CHEMBL864002;CHEMBL682708;CHEMBL681248;CHEMBL681841;CHEMBL680431;CHEMBL678329;CHEMBL676826;CHEMBL682251;CHEMBL829006;CHEMBL830421;CHEMBL839964;CHEMBL678745;CHEMBL857664;CHEMBL678741;CHEMBL830420;CHEMBL829005;CHEMBL654255,PMID:6127410,1982.0,PMID:16279764;PMID:16279764;PMID:16279764;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:6127410;DOI:10.1016/0960-894X(95)00418-S;PMID:16480260;PMID:16480260;PMID:16392789;PMID:20980155;PMID:20980155;PMID:16392789;PMID:20980155;PMID:16392789;PMID:23121096;DOI:10.1016/S0960-894X(01)80991-4;PMID:12477354;PMID:10633039;PMID:16392789;PMID:10890169;PMID:10633039;PMID:15027873;PMID:10890169;PMID:10633039;PMID:15027873;PMID:10633039;PMID:15743180;PMID:15743180;PMID:15828832;PMID:15027873;PMID:16250647;PMID:15027873;PMID:15743180;PMID:15743180;DOI:10.1016/0960-894X(95)00417-R,2005;2005;2005;2004;2004;2004;2004;1982;1995;2006;2006;2006;2010;2010;2006;2010;2006;2013;1993;2002;2000;2006;2000;2000;2004;2000;2000;2004;2000;2005;2005;2005;2004;2005;2004;2005;2005;1995,0;0;0;0;0;0;0;1;1;0;0;0;0;0;0;0;0;1;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;0;0;0;1,0;0;0;0;0;0;0;0;0;0;0;0;1;1;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,1;1;1;1;1;1;1;0;0;1;1;1;0;0;1;0;1;0;0;1;1;1;1;1;1;1;1;1;1;1;1;1;1;0;1;1;1;0,0,,=,  7.820;  7.700;  7.850;  7.950;  7.840;  7.580;  7.620;  8.090;  7.850;  7.480;  7.890;  8.180;  6.880;  7.350;  7.480;  7.460;  7.960;  7.770;  4.130;  8.000;  7.960;  7.890;  8.180;  7.700;  7.700;  7.480;  7.850;  7.850;  7.820;  7.890;  7.960;  8.000;  7.960;  7.920;  7.820;  7.480;  8.180;  7.850,7.694,0.639,0.105,38.0,7.85,0.13
-AAOVKJBEBIDNHE_on_P31644_WT,High,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:6127410,1982.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-AAOVKJBEBIDNHE_on_P34903_WT,High,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:6127410,1982.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-AAOVKJBEBIDNHE_on_P47869_WT,High,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:6127410,1982.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-AAOVKJBEBIDNHE_on_P47870_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL857664;CHEMBL839964;CHEMBL883287;CHEMBL654255;CHEMBL650829;CHEMBL677024;CHEMBL683022;CHEMBL677847;CHEMBL654251;CHEMBL1638613;CHEMBL861816;CHEMBL678606;CHEMBL4716928,PMID:6127410,1982.0,PMID:16250647;PMID:15828832;PMID:6127410;DOI:10.1016/0960-894X(95)00417-R;PMID:12477354;PMID:8568803;PMID:8568803;PMID:10890169;DOI:10.1016/0960-894X(95)00418-S;PMID:20980155;PMID:16610795;DOI:10.1016/S0960-894X(01)80991-4;PMID:26791864,2005;2005;1982;1995;2002;1996;1996;2000;1995;2010;2006;1993;2016,1;0;1;1;0;0;0;0;1;0;0;1;0,0;0;0;0;0;0;0;0;0;1;0;0;1,0,0;1;0;0;1;1;1;1;0;0;1;0;0,0,,=,  7.920;  8.000;  8.090;  7.850;  8.000;  7.890;  8.000;  7.920;  7.850;  7.070;  7.850;  4.130;  7.000,7.505,1.0290000000000001,0.297,13.0,7.89,0.11
-AAOVKJBEBIDNHE_on_P48169_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606;CHEMBL654255;CHEMBL857664;CHEMBL839964;CHEMBL650829;CHEMBL654251;CHEMBL883287,PMID:6127410,1982.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00417-R;PMID:16250647;PMID:15828832;PMID:12477354;DOI:10.1016/0960-894X(95)00418-S;PMID:6127410,1993;1995;2005;2005;2002;1995;1982,1;1;1;0;0;1;1,0,0,0;0;0;1;1;0;0,0,,=,  4.130;  7.850;  7.920;  8.000;  8.000;  7.850;  8.090,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_P78334_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606;CHEMBL650829;CHEMBL654255;CHEMBL857664;CHEMBL839964;CHEMBL654251;CHEMBL883287,PMID:6127410,1982.0,DOI:10.1016/S0960-894X(01)80991-4;PMID:12477354;DOI:10.1016/0960-894X(95)00417-R;PMID:16250647;PMID:15828832;DOI:10.1016/0960-894X(95)00418-S;PMID:6127410,1993;2002;1995;2005;2005;1995;1982,1;0;1;1;0;1;1,0,0,0;1;0;0;1;0;0,0,,=,  4.130;  8.000;  7.850;  7.920;  8.000;  7.850;  8.090,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251;CHEMBL883287;CHEMBL654255;CHEMBL678606;CHEMBL650829;CHEMBL839964;CHEMBL857664,PMID:6127410,1982.0,DOI:10.1016/0960-894X(95)00418-S;PMID:6127410;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/S0960-894X(01)80991-4;PMID:12477354;PMID:15828832;PMID:16250647,1995;1982;1995;1993;2002;2005;2005,1;1;1;1;0;0;1,0,0,0;0;0;0;1;1;0,0,,=,  7.850;  8.090;  7.850;  4.130;  8.000;  8.000;  7.920,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606;CHEMBL839964;CHEMBL654255;CHEMBL883287;CHEMBL650829;CHEMBL857664;CHEMBL654251,PMID:6127410,1982.0,DOI:10.1016/S0960-894X(01)80991-4;PMID:15828832;DOI:10.1016/0960-894X(95)00417-R;PMID:6127410;PMID:12477354;PMID:16250647;DOI:10.1016/0960-894X(95)00418-S,1993;2005;1995;1982;2002;2005;1995,1;0;1;1;0;1;1,0,0,0;1;0;0;1;0;0,0,,=,  4.130;  8.000;  7.850;  8.090;  8.000;  7.920;  7.850,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_Q16445_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829;CHEMBL678606;CHEMBL654255;CHEMBL839964;CHEMBL883287;CHEMBL857664;CHEMBL654251,PMID:6127410,1982.0,PMID:12477354;DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00417-R;PMID:15828832;PMID:6127410;PMID:16250647;DOI:10.1016/0960-894X(95)00418-S,2002;1993;1995;2005;1982;2005;1995,0;1;1;0;1;1;1,0,0,1;0;0;1;0;0;0,0,,=,  8.000;  4.130;  7.850;  8.000;  8.090;  7.920;  7.850,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAOVKJBEBIDNHE_on_Q99928_WT,Low,ChEMBL30,CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2,AAOVKJBEBIDNHE,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829;CHEMBL678606;CHEMBL654251;CHEMBL654255;CHEMBL883287;CHEMBL839964;CHEMBL857664,PMID:6127410,1982.0,PMID:12477354;DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;PMID:6127410;PMID:15828832;PMID:16250647,2002;1993;1995;1995;1982;2005;2005,0;1;1;1;1;0;1,0,0,1;0;0;0;0;1;0,0,,=,  8.000;  4.130;  7.850;  7.850;  8.090;  8.000;  7.920,7.406000000000001,1.34,0.547,7.0,7.92,0.08
-AAQAEWBPCIXLCR_on_Q14416_WT,High,ChEMBL30,CHEMBL3977508,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2ncc[nH]2)C2C(C(=O)O)C21,AAQAEWBPCIXLCR,AAQAEWBPCIXLCR-UHFFFAOYSA-N,"InChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)","""AuxInfo=1/1/N:10,11,21,22,16,8,9,12,14,24,25,29,17,6,26,3,19,2,13,15,1,20,23,27,28,4,5,7,18/E:(3,4)(22,23)(24,25)(26,27)/rA:29NCCOOCOCCCCCClCClCCSCNCCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s18;d19;s20;d21;s19s22;s17;s24;s25;d26;s26;s2s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-AAQAEWBPCIXLCR_on_Q14832_WT,High,ChEMBL30,CHEMBL3977508,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2ncc[nH]2)C2C(C(=O)O)C21,AAQAEWBPCIXLCR,AAQAEWBPCIXLCR-UHFFFAOYSA-N,"InChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)","""AuxInfo=1/1/N:10,11,21,22,16,8,9,12,14,24,25,29,17,6,26,3,19,2,13,15,1,20,23,27,28,4,5,7,18/E:(3,4)(22,23)(24,25)(26,27)/rA:29NCCOOCOCCCCCClCClCCSCNCCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s18;d19;s20;d21;s19s22;s17;s24;s25;d26;s26;s2s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-AAQLGZRECZLSBE_on_Q14833_WT,High,ChEMBL30,CHEMBL2023454,Fc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,AAQLGZRECZLSBE,AAQLGZRECZLSBE-UHFFFAOYSA-N,InChI=1S/C18H12FN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H,"""AuxInfo=1/0/N:13,12,14,11,15,3,4,18,19,22,17,8,7,2,10,6,5,21,1,20,16,9/E:(2,3)(4,5)/rA:22FCCCCCCCNCCCCCCNCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s7d16;d6;s18;d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-AAUBLVWQSXZMKT_on_Q05586_WT,Medium,ChEMBL30,CHEMBL351649,O=C(O)c1c(CN2CCN(c3ccccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,AAUBLVWQSXZMKT,AAUBLVWQSXZMKT-UHFFFAOYSA-N,"InChI=1S/C19H15Cl2N3O3/c20-11-8-14(21)16-13(17(18(25)26)22-15(16)9-11)10-23-6-7-24(19(23)27)12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10H2,(H,25,26)","""AuxInfo=1/1/N:14,13,15,12,16,8,9,24,21,6,22,11,5,25,20,19,4,2,17,23,26,27,7,10,1,3,18/E:(2,3)(4,5)(25,26)/rA:27OCOCCCNCCNCCCCCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s7s10;d17;s5;d19;s20;d21;s22;s22;s19d24;s25;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-AAXUJXGZIUCCTL_on_Q14416_WT,High,ChEMBL30,CHEMBL3765337,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(S(C)(=O)=O)ccc1)cc2,AAXUJXGZIUCCTL,AAXUJXGZIUCCTL-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3S/c1-19(2,3)12-22-16-10-9-15(20-17(16)21(4)18(22)23)13-7-6-8-14(11-13)26(5,24)25/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:8,9,10,1,19,23,24,22,25,26,16,6,15,17,14,11,12,3,7,13,2,5,4,20,21,18/E:(1,2,3)(24,25)/CRV:26.6/rA:26CNCONCCCCCCCNCCCCSCOOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;s17;s18;d18;d18;d17;s22;s15d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-AAZDRULOWGVHPB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215957;11323067,Cc1nc(C#CCOc2ccc(C(C)C)cc2)ccc1,AAZDRULOWGVHPB,AAZDRULOWGVHPB-UHFFFAOYSA-N,"InChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3","""AuxInfo=1/0/N:14,15,1,19,6,20,18,5,11,16,10,17,7,13,2,12,4,9,3,8/E:(1,2)(9,10)(11,12)/rA:20CCNCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  7.080;  7.081,7.081,0.0,0.0,2.0,7.081,0.001
-AAZYXOJZFFSUBA_on_P14867_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-AAZYXOJZFFSUBA_on_P18507_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800;  6.720;  6.700;  6.660,6.72,0.051,0.028999999999999998,4.0,6.71,0.03
-AAZYXOJZFFSUBA_on_P28472_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800;  6.700;  6.660;  6.720,6.72,0.051,0.028999999999999998,4.0,6.71,0.03
-AAZYXOJZFFSUBA_on_P31644_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-AAZYXOJZFFSUBA_on_P34903_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-AAZYXOJZFFSUBA_on_P47869_WT,Low,ChEMBL30,CHEMBL300867,COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,AAZYXOJZFFSUBA,AAZYXOJZFFSUBA-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-16(12-14-18)15-29-23-20-10-6-5-9-19(20)22-25-24-21(27(22)26-23)17-7-3-2-4-8-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,5,28,4,29,7,6,13,3,22,23,12,21,9,19,20,10,11,2,8/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-AAZZHVGTJVXBFR_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,71452648;CHEMBL338911,CS(=O)(=O)c1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,AAZZHVGTJVXBFR,AAZZHVGTJVXBFR-UHFFFAOYSA-N,"InChI=1S/C15H19NO6S/c1-23(21,22)10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,7,8,6,10,11,23,18,9,5,19,17,20,14,12,13,21,22,15,16,3,4,2/E:(17,18)(19,20)(21,22)/CRV:23.6/rA:23CSOOCCCCCCCCNCOOCCCCOOC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s12;d14;s14;s12;s17;s17s18;s19;d20;s20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:108816;CHEMBL717203,PMID:9464367,1998.0,PubChemAID:108816;PMID:9464367,2010;1998,0;1,0,0,0,1;0,,=,  6.721;  6.720,6.72,0.0,0.0,2.0,6.72,0.001
-AAZZHVGTJVXBFR_on_Q14832_WT,High,ExCAPE-DB;ChEMBL30,71452648;CHEMBL338911,CS(=O)(=O)c1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,AAZZHVGTJVXBFR,AAZZHVGTJVXBFR-UHFFFAOYSA-N,"InChI=1S/C15H19NO6S/c1-23(21,22)10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,7,8,6,10,11,23,18,9,5,19,17,20,14,12,13,21,22,15,16,3,4,2/E:(17,18)(19,20)(21,22)/CRV:23.6/rA:23CSOOCCCCCCCCNCOOCCCCOOC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s12;d14;s14;s12;s17;s17s18;s19;d20;s20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:109157;CHEMBL718350,PMID:9464367,1998.0,PubChemAID:109157;PMID:9464367,2010;1998,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-ABGOEQBTRNKWDB_on_P41594_WT,Low,ChEMBL30,CHEMBL3655617,N#Cc1cc(C(=O)Nc2ccnc(Oc3cncnc3)c2)ccc1,ABGOEQBTRNKWDB,ABGOEQBTRNKWDB-UHFFFAOYSA-N,"InChI=1S/C17H11N5O2/c18-8-12-2-1-3-13(6-12)17(23)22-14-4-5-21-16(7-14)24-15-9-19-11-20-10-15/h1-7,9-11H,(H,21,22,23)","""AuxInfo=1/1/N:23,24,22,10,11,4,21,2,16,20,18,3,5,9,15,13,6,1,17,19,12,8,7,14/E:(9,10)(19,20)/rA:24NCCCCCONCCCNCOCCNCNCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ABIRJSXDDHUMAD_on_P14867_WT,Low,ChEMBL30,CHEMBL299995,COc1ccc(-c2nnc3c4c(cccc4)c(=O)n(Cc4ccccc4)n23)cc1,ABIRJSXDDHUMAD,ABIRJSXDDHUMAD-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(28)26(27(21)22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,15,14,22,26,16,13,5,28,4,29,20,21,6,3,11,12,7,10,17,8,9,19,27,18,2/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;d17;s17;s19;s20;d21;s22;d23;s24;s21d25;s7s10s19;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ABIRJSXDDHUMAD_on_P31644_WT,Low,ChEMBL30,CHEMBL299995,COc1ccc(-c2nnc3c4c(cccc4)c(=O)n(Cc4ccccc4)n23)cc1,ABIRJSXDDHUMAD,ABIRJSXDDHUMAD-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(28)26(27(21)22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,15,14,22,26,16,13,5,28,4,29,20,21,6,3,11,12,7,10,17,8,9,19,27,18,2/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;d17;s17;s19;s20;d21;s22;d23;s24;s21d25;s7s10s19;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ABIRJSXDDHUMAD_on_P34903_WT,Low,ChEMBL30,CHEMBL299995,COc1ccc(-c2nnc3c4c(cccc4)c(=O)n(Cc4ccccc4)n23)cc1,ABIRJSXDDHUMAD,ABIRJSXDDHUMAD-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(28)26(27(21)22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,15,14,22,26,16,13,5,28,4,29,20,21,6,3,11,12,7,10,17,8,9,19,27,18,2/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;d17;s17;s19;s20;d21;s22;d23;s24;s21d25;s7s10s19;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ABIRJSXDDHUMAD_on_P47869_WT,Low,ChEMBL30,CHEMBL299995,COc1ccc(-c2nnc3c4c(cccc4)c(=O)n(Cc4ccccc4)n23)cc1,ABIRJSXDDHUMAD,ABIRJSXDDHUMAD-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(28)26(27(21)22)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,15,14,22,26,16,13,5,28,4,29,20,21,6,3,11,12,7,10,17,8,9,19,27,18,2/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;d17;s17;s19;s20;d21;s22;d23;s24;s21d25;s7s10s19;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ABJFBJGGLJVMAQ_on_O15399_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_O60391_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJFBJGGLJVMAQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL282672,Oc1c(O)nc2ccccc2n1,ABJFBJGGLJVMAQ,ABJFBJGGLJVMAQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)","""AuxInfo=1/1/N:8,9,7,10,6,11,3,2,5,12,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12OCCONCCCCCCN/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s6s10;s2d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ABJHPDKSDCWPPH_on_P41594_WT,High,ChEMBL30,CHEMBL2151617,O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1,ABJHPDKSDCWPPH,ABJHPDKSDCWPPH-UHFFFAOYSA-N,"InChI=1S/C18H18F3N3O2/c19-14-3-1-2-12(8-14)15-22-16(26-23-15)13-9-24(10-13)17(25)11-4-6-18(20,21)7-5-11/h1-3,8,11,13H,4-7,9-10H2","""AuxInfo=1/0/N:19,18,20,4,10,5,9,23,12,26,3,17,13,21,16,14,2,6,22,7,8,15,24,11,1,25/E:(4,5)(6,7)(9,10)(20,21)/rA:26OCCCCCFFCCNCCCNCCCCCCFCNOC/rB:d1;s2;s3;s4;s5;s6;s6;s6;s3s9;s2;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-ABKLJTMXGVJGDB_on_P31644_WT,High,ChEMBL30,CHEMBL3676528,Cc1c(COc2ccc(C(=O)N3CCCn4nccc34)cn2)c(-c2ccccc2)no1,ABKLJTMXGVJGDB,ABKLJTMXGVJGDB-UHFFFAOYSA-N,"InChI=1S/C23H21N5O3/c1-16-19(22(26-31-16)17-6-3-2-4-7-17)15-30-20-9-8-18(14-24-20)23(29)27-12-5-13-28-21(27)10-11-25-28/h2-4,6-11,14H,5,12-13,15H2,1H3","""AuxInfo=1/0/N:1,27,26,28,14,25,29,8,7,19,18,13,15,21,4,2,24,9,3,6,20,23,10,22,17,30,12,16,11,5,31/E:(3,4)(6,7)/rA:31CCCCOCCCCCONCCCNNCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;s12s16d19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-ABKWRNOGFQFNRG_on_O00591_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_O14764_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P14867_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P18505_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P18507_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P28472_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P31644_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P34903_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P47869_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P47870_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P48169_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_P78334_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.310;  4.320,4.315,0.005,0.005,2.0,4.315,0.005
-ABKWRNOGFQFNRG_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322883,CNC1=NCC(C(=O)O)CC1,ABKWRNOGFQFNRG,ABKWRNOGFQFNRG-UHFFFAOYSA-N,"InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;w?3;s4;s5;s6;d7;s7;s6;s3s10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.320;  4.310,4.315,0.005,0.005,2.0,4.315,0.005
-ABKYTSSASLYMLC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3939625,O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1,ABKYTSSASLYMLC,ABKYTSSASLYMLC-UHFFFAOYSA-N,"InChI=1S/C16H11Cl2N3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)","""AuxInfo=1/1/N:23,24,22,13,14,25,17,6,11,12,15,18,21,7,2,4,16,19,26,5,3,1,9,10,20,8/E:(23,24)/CRV:26.6/rA:26OCNCNCCSOOCCCCCClCCClSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s15;s12d17;s18;s4s7;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-ABQZRCMHCPNASC_on_P41594_WT,Medium,ChEMBL30,CHEMBL246041,Cc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1,ABQZRCMHCPNASC,ABQZRCMHCPNASC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-9-4-2-5-10(8-9)16-14(18)11-6-3-7-12-13(11)17-15(19)20-12/h2-8H,1H3,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:1,4,12,3,5,11,13,20,2,6,10,14,15,8,17,7,16,9,18,19/rA:20CCCCCCNCOCCCCCCNCOOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s15;d16;s17;s14s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885913;CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,1;0,0,0,0;1,0,,=,  6.980;  6.960,6.97,0.01,0.01,2.0,6.97,0.01
-ABSPBXVLXKIHEO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3982481,CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)nn2)CC1(C)C,ABSPBXVLXKIHEO,ABSPBXVLXKIHEO-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)12-16(18(24)23(19)3)17-11-10-15(21-22-17)9-6-13-4-7-14(20)8-5-13/h4-5,7-8,10-11,16H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,13,18,11,14,17,10,8,7,21,12,15,9,5,6,3,22,16,19,20,2,4/E:(1,2)(4,5)(7,8)/rA:24CNCOCCCCCCCCCCCFCCNNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-ABSTXSZPGHDTAF_on_O00591_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL683062;CHEMBL683060;CHEMBL683064;CHEMBL683060;CHEMBL683061;CHEMBL683065;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683061;CHEMBL683064;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,1;0;1;0;1;1;1;1;1;1;1;1,0;1;0;1;0;0;0;0;0;0;0;0,0,0,0,,=,  4.680;  3.260;  5.210;  3.387;  5.300;  5.600;  5.600;  4.620;  5.370;  5.330;  5.280;  5.540,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_O14764_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683060;CHEMBL683064;CHEMBL683060;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683063;CHEMBL683062;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;0;1;1;1;1;1;1,0;0;0;1;0;1;0;0;0;0;0;0,0,0,0,,=,  5.600;  5.210;  5.300;  3.387;  5.280;  3.260;  4.680;  5.330;  5.540;  5.600;  4.620;  5.370,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P14867_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL683063;CHEMBL683061;CHEMBL683062;CHEMBL683061;CHEMBL683064;CHEMBL683060;CHEMBL683060;CHEMBL683064;CHEMBL683065;CHEMBL683062;CHEMBL683063;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;0;0;1;1;1;1;1,0;0;0;0;0;1;1;0;0;0;0;0,0,0,0,,=,  5.600;  5.300;  4.680;  5.330;  5.210;  3.387;  3.260;  5.280;  5.370;  4.620;  5.540;  5.600,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P18505_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL683061;CHEMBL683065;CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683063;CHEMBL683063;CHEMBL683062;CHEMBL683061;CHEMBL683064;CHEMBL683060;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0;0,0;0;0;0;0;0;0;0;0;0;1;1,0,0,0,,=,  5.330;  5.600;  5.210;  4.620;  5.370;  5.600;  5.540;  4.680;  5.300;  5.280;  3.387;  3.260,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P18507_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683064;CHEMBL683063;CHEMBL683060;CHEMBL683062;CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;0;1;1;1;1;1;1;1;1;0,0;0;1;0;0;0;0;0;0;0;0;1,0,0,0,,=,  5.280;  5.600;  3.260;  4.680;  5.370;  5.300;  5.540;  4.620;  5.600;  5.210;  5.330;  3.387,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P28472_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683060;CHEMBL683060;CHEMBL683061;CHEMBL683062;CHEMBL683064;CHEMBL683063;CHEMBL683061;CHEMBL683062;CHEMBL683064;CHEMBL683065;CHEMBL683065;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,0;0;1;1;1;1;1;1;1;1;1;1,1;1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.260;  3.387;  5.330;  4.620;  5.280;  5.600;  5.300;  4.680;  5.210;  5.600;  5.370;  5.540,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P31644_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL683060;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683065;CHEMBL683062;CHEMBL683063;CHEMBL683063;CHEMBL683061;CHEMBL683064;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1;0,1;0;0;0;0;0;0;0;0;0;0;1,0,0,0,,=,  3.260;  5.330;  5.280;  4.680;  5.600;  5.370;  4.620;  5.540;  5.600;  5.300;  5.210;  3.387,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P34903_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683062;CHEMBL683063;CHEMBL683065;CHEMBL683062;CHEMBL683064;CHEMBL683061;CHEMBL683064;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683060;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0;0,0;0;0;0;0;0;0;0;0;0;1;1,0,0,0,,=,  4.680;  5.600;  5.370;  4.620;  5.210;  5.300;  5.280;  5.330;  5.540;  5.600;  3.260;  3.387,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P47869_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683065;CHEMBL683063;CHEMBL683064;CHEMBL683060;CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683064;CHEMBL683062;CHEMBL683062;CHEMBL683060;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;1;1;1;1;1;0;1,0;0;0;1;0;0;0;0;0;0;1;0,0,0,0,,=,  5.370;  5.540;  5.280;  3.260;  5.600;  5.330;  5.600;  5.210;  4.620;  4.680;  3.387;  5.300,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P47870_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL683063;CHEMBL683061;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683064;CHEMBL683065;CHEMBL683064;CHEMBL683060;CHEMBL683060;CHEMBL683062;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;0;0;1;1,0;0;0;0;0;0;0;0;1;1;0;0,0,0,0,,=,  5.540;  5.300;  5.600;  4.680;  5.600;  5.210;  5.370;  5.280;  3.387;  3.260;  4.620;  5.330,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P48169_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL683060;CHEMBL683060;CHEMBL683062;CHEMBL683064;CHEMBL683065;CHEMBL683064;CHEMBL683065;CHEMBL683061;CHEMBL683061;CHEMBL683062;CHEMBL683063;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,0;0;1;1;1;1;1;1;1;1;1;1,1;1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.387;  3.260;  4.620;  5.210;  5.370;  5.280;  5.600;  5.330;  5.300;  4.680;  5.540;  5.600,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_P78334_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL683065;CHEMBL683062;CHEMBL683064;CHEMBL683061;CHEMBL683065;CHEMBL683060;CHEMBL683064;CHEMBL683060;CHEMBL683063;CHEMBL683061;CHEMBL683063;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;0;1;0;1;1;1;1,0;0;0;0;0;1;0;1;0;0;0;0,0,0,0,,=,  5.600;  4.620;  5.280;  5.330;  5.370;  3.387;  5.210;  3.260;  5.600;  5.300;  5.540;  4.680,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL683062;CHEMBL683063;CHEMBL683063;CHEMBL683065;CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683061;CHEMBL683060;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0;0,0;0;0;0;0;0;0;0;0;0;1;1,0,0,0,,=,  4.680;  5.540;  5.600;  5.600;  5.210;  4.620;  5.370;  5.280;  5.330;  5.300;  3.260;  3.387,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL683061;CHEMBL683065;CHEMBL683063;CHEMBL683064;CHEMBL683062;CHEMBL683062;CHEMBL683063;CHEMBL683064;CHEMBL683061;CHEMBL683065;CHEMBL683060;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0;0,0;0;0;0;0;0;0;0;0;0;1;1,0,0,0,,=,  5.300;  5.600;  5.600;  5.210;  4.620;  4.680;  5.540;  5.280;  5.330;  5.370;  3.260;  3.387,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_Q16445_WT,Low,ChEMBL30,CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683064;CHEMBL683065;CHEMBL683060;CHEMBL683060;CHEMBL683064;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683063;CHEMBL683062;CHEMBL683061;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;0;0;1;1;1;1;1;1;1;1,0;0;1;1;0;0;0;0;0;0;0;0,0,0,0,,=,  5.280;  5.370;  3.260;  3.387;  5.210;  5.600;  4.680;  5.600;  5.540;  4.620;  5.330;  5.300,4.931,0.779,0.235,12.0,5.29,0.28
-ABSTXSZPGHDTAF_on_Q99928_WT,Low,ChEMBL30,CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL281098;CHEMBL284327;CHEMBL281098;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL284327;CHEMBL281098;CHEMBL281098,CC(N)CCC(=O)O,ABSTXSZPGHDTAF,ABSTXSZPGHDTAF-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;/rC:;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683064;CHEMBL683064;CHEMBL683062;CHEMBL683062;CHEMBL683061;CHEMBL683065;CHEMBL683060;CHEMBL683060;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;0;0;1,0;0;0;0;0;0;0;0;0;1;1;0,0,0,0,,=,  5.300;  5.540;  5.370;  5.210;  5.280;  4.680;  4.620;  5.330;  5.600;  3.260;  3.387;  5.600,4.931,0.779,0.235,12.0,5.29,0.28
-ABUZOTKQQBPGAC_on_P41594_WT,High,ChEMBL30,CHEMBL2440630,COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1,ABUZOTKQQBPGAC,ABUZOTKQQBPGAC-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4O3/c1-24-16-4-2-3-15(21-16)22-17(23)11-5-12(18)7-13(6-11)25-14-8-19-10-20-9-14/h2-10H,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,5,6,4,12,24,15,19,23,21,11,13,16,18,7,3,9,14,20,22,25,8,10,2,17/E:(8,9)(19,20)/rA:25COCCCCCNCOCCCClCCOCCNCNCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-ABVSSWQQOYSVAR_on_P41594_WT,Medium,ChEMBL30,CHEMBL184047,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Sc2cnccc2)c1,ABVSSWQQOYSVAR,ABVSSWQQOYSVAR-UHFFFAOYSA-N,InChI=1S/C17H11FN6S/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H,"""AuxInfo=1/0/N:13,12,23,24,14,22,11,3,25,16,20,2,4,19,17,9,8,1,21,10,7,15,6,5,18/rA:25FCCCNNNCCNCCCCNCCSCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;s18;d19;s20;d21;s22;s19d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-ABXCABAFMUGXHR_on_P14867_WT,Low,ChEMBL30,CHEMBL3138293,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(C=O)cc5)CCC4(C)C3CCC12C,ABXCABAFMUGXHR,ABXCABAFMUGXHR-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,28,33,18,24,19,23,10,9,5,6,16,30,31,15,26,25,12,21,2,17,20,11,8,4,7,29,27,32,13,22,3,14/E:(4,5)(6,7)/rA:33CCOCCCCCCCCCCOCCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;d21;s20;s17d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ABXCABAFMUGXHR_on_P18507_WT,Low,ChEMBL30,CHEMBL3138293,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(C=O)cc5)CCC4(C)C3CCC12C,ABXCABAFMUGXHR,ABXCABAFMUGXHR-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,28,33,18,24,19,23,10,9,5,6,16,30,31,15,26,25,12,21,2,17,20,11,8,4,7,29,27,32,13,22,3,14/E:(4,5)(6,7)/rA:33CCOCCCCCCCCCCOCCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;d21;s20;s17d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ABXCABAFMUGXHR_on_P47870_WT,Low,ChEMBL30,CHEMBL3138293,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(C=O)cc5)CCC4(C)C3CCC12C,ABXCABAFMUGXHR,ABXCABAFMUGXHR-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,28,33,18,24,19,23,10,9,5,6,16,30,31,15,26,25,12,21,2,17,20,11,8,4,7,29,27,32,13,22,3,14/E:(4,5)(6,7)/rA:33CCOCCCCCCCCCCOCCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;d21;s20;s17d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ABYVXJXTOJUFEC_on_O15399_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_O60391_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_Q12879_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ABYVXJXTOJUFEC_on_Q14957_WT,Low,ChEMBL30,CHEMBL1189757,N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,ABYVXJXTOJUFEC,ABYVXJXTOJUFEC-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-11,19-21H,12-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ACBDSZDCBYPWDD_on_Q13255_WT,High,ChEMBL30,CHEMBL3634421,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(F)c2)occ1,ACBDSZDCBYPWDD,ACBDSZDCBYPWDD-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.460;  7.460,7.46,0.0,0.0,2.0,7.46,0.0
-ACBDSZDCBYPWDD_on_Q14833_WT,High,ChEMBL30,CHEMBL3634421,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(F)c2)occ1,ACBDSZDCBYPWDD,ACBDSZDCBYPWDD-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-ACFWGVXFEVIFIS_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010882,O=C(c1cccc2c1nc(-c1ccccc1)[nH]2)N1CCCCC1,ACFWGVXFEVIFIS,ACFWGVXFEVIFIS-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c23-19(22-12-5-2-6-13-22)15-10-7-11-16-17(15)21-18(20-16)14-8-3-1-4-9-14/h1,3-4,7-11H,2,5-6,12-13H2,(H,20,21)","""AuxInfo=1/1/N:14,21,13,15,20,22,5,12,16,4,6,19,23,11,3,7,8,10,2,17,9,18,1/E:(3,4)(5,6)(8,9)(12,13)/rA:23OCCCCCCCNCCCCCCCNNCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s2;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-ACHBHNFIMNZOOZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681520,Cc1c(COc2ccc(C(=O)NCCCCO)cn2)c(-c2ccccc2)no1,ACHBHNFIMNZOOZ,ACHBHNFIMNZOOZ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-15-18(20(24-28-15)16-7-3-2-4-8-16)14-27-19-10-9-17(13-23-19)21(26)22-11-5-6-12-25/h2-4,7-10,13,25H,5-6,11-12,14H2,1H3,(H,22,26)","""AuxInfo=1/1/N:1,24,23,25,14,15,22,26,8,7,13,16,18,4,2,21,9,3,6,20,10,12,19,27,17,11,5,28/E:(3,4)(7,8)/rA:28CCCCOCCCCCONCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-ACHPNNOYBNCORU_on_P14867_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.560,8.56,0.0,0.0,1.0,8.56,0.0
-ACHPNNOYBNCORU_on_P18507_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273620;CHEMBL1273619;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  8.130;  8.560;  7.610;  8.050;  6.000,7.392,1.022,0.457,6.0,7.83,0.515
-ACHPNNOYBNCORU_on_P28472_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273618;CHEMBL1273617;CHEMBL1273616;CHEMBL1273619;CHEMBL1273615;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  7.610;  8.050;  8.130;  8.560;  6.000,7.392,1.022,0.457,6.0,7.83,0.515
-ACHPNNOYBNCORU_on_P31644_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-ACHPNNOYBNCORU_on_P34903_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-ACHPNNOYBNCORU_on_P47869_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-ACHPNNOYBNCORU_on_P48169_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ACHPNNOYBNCORU_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270539,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1,ACHPNNOYBNCORU,ACHPNNOYBNCORU-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3","""AuxInfo=1/0/N:18,19,20,1,3,4,21,22,15,24,10,16,14,23,13,8,11,6,17,2,9,12,7,5/E:(1,2,3)(4,5,6)/rA:24CCCCOCOCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s11s14;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ACMMBKKGADSOBX_on_P31644_WT,High,ChEMBL30,CHEMBL3681477,Cc1c(CNc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)cc2)no1,ACMMBKKGADSOBX,ACMMBKKGADSOBX-UHFFFAOYSA-N,"InChI=1S/C19H16F4N4O2/c1-11-15(17(27-29-11)12-2-5-14(20)6-3-12)9-25-16-7-4-13(8-24-16)18(28)26-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,24,25)(H,26,28)","""AuxInfo=1/1/N:1,22,27,8,23,26,7,18,4,13,2,21,9,24,3,6,20,10,14,25,15,16,17,19,5,12,28,11,29/E:(2,3)(5,6)(21,22,23)/rA:29CCCCNCCCCCONCCFFFCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-ACMQMUZDLQDWTK_on_O00591_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_O14764_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P14867_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P18505_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P18507_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P28472_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P31644_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P34903_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P47869_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P47870_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P48169_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_P78334_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_Q16445_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACMQMUZDLQDWTK_on_Q99928_WT,Low,ChEMBL30,CHEMBL91702,O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1,ACMQMUZDLQDWTK,ACMQMUZDLQDWTK-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-ACPUCHLYONVNTK_on_O00591_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_O14764_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P14867_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P18505_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P18507_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P28472_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P31644_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P34903_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P47869_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P47870_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P48169_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_P78334_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_Q16445_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACPUCHLYONVNTK_on_Q99928_WT,Low,ChEMBL30,CHEMBL327668,O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1,ACPUCHLYONVNTK,ACPUCHLYONVNTK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c19-13-16-9-5-2-1-3-6-10(9)18(13)14-17-12-11(20-14)7-4-8-15-12/h4,7-10H,1-3,5-6H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,17,5,9,16,18,4,10,15,14,2,12,19,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ACSHXOLSUYKZPQ_on_Q14416_WT,High,ChEMBL30,CHEMBL1669389,CCCn1ccc2c(c(Cl)cc(-c3ccc(N4CCOCC4)nc3)c2)c1=O,ACSHXOLSUYKZPQ,ACSHXOLSUYKZPQ-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O2/c1-2-6-25-7-5-15-12-17(13-18(22)20(15)21(25)26)16-3-4-19(23-14-16)24-8-10-27-11-9-24/h3-5,7,12-14H,2,6,8-11H2,1H3","""AuxInfo=1/0/N:1,2,14,15,6,3,5,18,22,19,21,25,11,24,7,13,12,9,16,8,26,10,23,17,4,27,20/E:(8,9)(10,11)/rA:27CCCNCCCCCClCCCCCCNCCOCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;s19;s20;s17s21;s16;s13d23;s7d12;s4s8;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-ACUNYYFYYWOKOD_on_P14867_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-ACUNYYFYYWOKOD_on_P18507_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL681480;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.930;  6.650;  7.960;  8.470,7.752999999999999,0.672,0.38799999999999996,4.0,7.945,0.27
-ACUNYYFYYWOKOD_on_P28472_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.960;  7.930;  8.470;  6.650,7.752999999999999,0.672,0.38799999999999996,4.0,7.945,0.27
-ACUNYYFYYWOKOD_on_P31644_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-ACUNYYFYYWOKOD_on_P34903_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-ACUNYYFYYWOKOD_on_P47869_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-ACUNYYFYYWOKOD_on_Q16445_WT,Low,ChEMBL30,CHEMBL141039,COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,ACUNYYFYYWOKOD,ACUNYYFYYWOKOD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,21,19,22,8,7,4,14,3,18,6,17,5,13,12,9,10,15,16,11,2/rA:22COCCCCCCCCNCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;d9;s5s10;s10;d12;s13;s9d14;s13;s16;s12d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ACUZFUJPTKCPTR_on_P41594_WT,High,ChEMBL30,CHEMBL3736163,Cc1ncc(-c2noc(C3CCc4c(C3)nnn4C(C)(C)C)n2)cc1,ACUZFUJPTKCPTR,ACUZFUJPTKCPTR-UHFFFAOYSA-N,"InChI=1S/C18H22N6O/c1-11-5-6-13(10-19-11)16-20-17(25-22-16)12-7-8-15-14(9-12)21-23-24(15)18(2,3)4/h5-6,10,12H,7-9H2,1-4H3","""AuxInfo=1/0/N:1,20,21,22,25,24,11,12,15,4,2,10,5,14,13,6,9,19,3,23,16,7,17,18,8/E:(2,3,4)/rA:25CCNCCCNOCCCCCCCNNNCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s10s14;s14;d16;s13s17;s18;s19;s19;s19;s6d9;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-ACVCREFNDLDKHC_on_Q14416_WT,High,ChEMBL30,CHEMBL3913414,CC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,ACVCREFNDLDKHC,ACVCREFNDLDKHC-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,21,22,27,19,2,20,23,25,6,7,11,5,17,8,14,12,24,26,13,4,3,9,10,15,16,18/E:(23,24)(25,26)/rA:27CCONCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;d14;s14;s5s12;s17;s18;s19;d20;s21;d22;s23;s23;s25;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-ACVCREFNDLDKHC_on_Q14832_WT,High,ChEMBL30,CHEMBL3913414,CC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,ACVCREFNDLDKHC,ACVCREFNDLDKHC-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,21,22,27,19,2,20,23,25,6,7,11,5,17,8,14,12,24,26,13,4,3,9,10,15,16,18/E:(23,24)(25,26)/rA:27CCONCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;d14;s14;s5s12;s17;s18;s19;d20;s21;d22;s23;s23;s25;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-ACVGNKYJVGNLIL_on_O00591_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_O14764_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P14867_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387;CHEMBL2423449;CHEMBL1799216;CHEMBL4481484;CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:16480274;PMID:23855889;PMID:21664131;PMID:30763084;PMID:1331456;PMID:1331456,2006;2013;2011;2019;1992;1992,0;1;1;1;1;1,0,0,1;0;0;0;0;0,0,,=,  6.620;  6.620;  6.460;  6.620;  8.100;  6.850,6.877999999999999,0.5579999999999999,0.25,6.0,6.62,0.08
-ACVGNKYJVGNLIL_on_P18505_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P18507_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL2423449;CHEMBL681951;CHEMBL4481484;CHEMBL1799216;CHEMBL866387,PMID:1331456,1992.0,PMID:1331456;PMID:23855889;PMID:1331456;PMID:30763084;PMID:21664131;PMID:16480274,1992;2013;1992;2019;2011;2006,1;1;1;1;1;0,0,0,0;0;0;0;0;1,0,,=,  8.100;  6.620;  6.850;  6.620;  6.460;  6.620,6.877999999999999,0.5579999999999999,0.25,6.0,6.62,0.08
-ACVGNKYJVGNLIL_on_P28472_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951;CHEMBL866387,PMID:1331456,1992.0,PMID:1331456;PMID:1331456;PMID:16480274,1992;1992;2006,1;1;0,0,0,0;0;1,0,,=,  8.100;  6.850;  6.620,7.19,0.65,0.46,3.0,6.85,0.23
-ACVGNKYJVGNLIL_on_P31644_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P34903_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P47869_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P47870_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449;CHEMBL681949;CHEMBL1799216;CHEMBL681951;CHEMBL4481484,PMID:1331456,1992.0,PMID:23855889;PMID:1331456;PMID:21664131;PMID:1331456;PMID:30763084,2013;1992;2011;1992;2019,1,0,0,0,0,,=,  6.620;  8.100;  6.460;  6.850;  6.620,6.93,0.598,0.299,5.0,6.62,0.16
-ACVGNKYJVGNLIL_on_P48169_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_P78334_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_Q16445_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.100;  6.850,7.475,0.625,0.625,2.0,7.475,0.625
-ACVGNKYJVGNLIL_on_Q99928_WT,Low,ChEMBL30,CHEMBL32503,COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,ACVGNKYJVGNLIL,ACVGNKYJVGNLIL-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,11,12,5,20,4,21,19,18,10,6,3,7,16,13,17,8,9,14,15,2/E:(4,5)(6,7)(19,20)/rA:21COCCCCCNNCCCCOOCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s13;s9;d16;s16;s7d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.850;  8.100,7.475,0.625,0.625,2.0,7.475,0.625
-ACWINKCBLAHDLC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3977560,COc1cc(Nc2c3ncccc3n[nH]2)ccc1F,ACWINKCBLAHDLC,ACWINKCBLAHDLC-UHFFFAOYSA-N,"InChI=1S/C13H11FN4O/c1-19-11-7-8(4-5-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,11,12,16,17,10,4,5,18,13,3,8,7,19,9,6,14,15,2/rA:19COCCCNCCNCCCCNNCCCF/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-ACZAFEQDAPBKEG_on_P31644_WT,High,ChEMBL30,CHEMBL3676429;CHEMBL3681494;CHEMBL3681504;CHEMBL3676429;CHEMBL3681499;CHEMBL3681503,Cc1c(COc2ccc(C(=O)NC3CCCCC3O)cn2)c(-c2ccccc2)no1,ACZAFEQDAPBKEG,ACZAFEQDAPBKEG-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-18(22(26-30-15)16-7-3-2-4-8-16)14-29-21-12-11-17(13-24-21)23(28)25-19-9-5-6-10-20(19)27/h2-4,7-8,11-13,19-20,27H,5-6,9-10,14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,15,16,24,28,14,17,8,7,20,4,2,23,9,3,13,18,6,22,10,21,12,29,19,11,5,30/E:(3,4)(7,8)/rA:30CCCCOCCCCCONCCCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.550;  8.540;  8.360;  7.960;  8.190;  8.320,8.32,0.204,0.091,6.0,8.34,0.175
-ADBAFBGWAUYPGA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2346732;71720798,Cc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1,ADBAFBGWAUYPGA,ADBAFBGWAUYPGA-UHFFFAOYSA-N,"InChI=1S/C18H14F4N4O/c1-10-16(23-11(2)26(10)13-8-6-12(19)7-9-13)17(27)25-15-5-3-4-14(24-15)18(20,21)22/h3-9H,1-2H3,(H,24,25,27)","""AuxInfo=1/1/N:19,1,10,11,9,23,26,22,27,18,2,24,21,12,8,4,5,13,25,14,15,16,3,17,7,20,6/E:(6,7)(8,9)(20,21,22)/rA:27CCNCCONCCCCCCFFFNCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;s13;s13;s13;s8d12;d4;s18;s2s18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953;PubChemAID:738966,PMID:23434029,2013.0,PMID:23434029;PubChemAID:738966,2013,1;0,0,0,0,0;1,,=,  6.760;  6.762,6.761,0.001,0.001,2.0,6.761,0.001
-ADCBPOFFPQYZOO_on_O00222_WT,Low,ChEMBL30,CHEMBL4095462,NC(CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O,ADCBPOFFPQYZOO,ADCBPOFFPQYZOO-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,17,11,18,3,4,13,10,2,14,19,8,1,15,16,20,21,9,6,7,5/E:(1,2)(3,4)(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.851,3.8510000000000004,0.0,0.0,1.0,3.8510000000000004,0.0
-ADCBPOFFPQYZOO_on_O15303_WT,High,ChEMBL30,CHEMBL4095462,NC(CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O,ADCBPOFFPQYZOO,ADCBPOFFPQYZOO-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,17,11,18,3,4,13,10,2,14,19,8,1,15,16,20,21,9,6,7,5/E:(1,2)(3,4)(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-ADCBPOFFPQYZOO_on_Q14831_WT,Low,ChEMBL30,CHEMBL4095462,NC(CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O,ADCBPOFFPQYZOO,ADCBPOFFPQYZOO-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,17,11,18,3,4,13,10,2,14,19,8,1,15,16,20,21,9,6,7,5/E:(1,2)(3,4)(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037497,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.772,3.772,0.0,0.0,1.0,3.772,0.0
-ADCBPOFFPQYZOO_on_Q14833_WT,High,ChEMBL30,CHEMBL4095462,NC(CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O,ADCBPOFFPQYZOO,ADCBPOFFPQYZOO-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,17,11,18,3,4,13,10,2,14,19,8,1,15,16,20,21,9,6,7,5/E:(1,2)(3,4)(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ADCZCHGZOJHXPU_on_O00591_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_O14764_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P14867_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P18505_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P18507_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P28472_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P31644_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P34903_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P47869_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P47870_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P48169_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_P78334_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_Q16445_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADCZCHGZOJHXPU_on_Q99928_WT,Low,ChEMBL30,CHEMBL292757,Oc1c2CCNCCc2no1,ADCZCHGZOJHXPU,ADCZCHGZOJHXPU-UHFFFAOYSA-N,"InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2","""AuxInfo=1/0/N:4,8,5,7,3,9,2,6,10,1,11/rA:11OCCCCNCCCNO/rB:s1;d2;s3;s4;s5;s6;s7;s3s8;d9;s2s10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-ADEWMBXHOGJXEG_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784103,COCc1c2c(N)c(C(=O)c3ccc(F)cc3)oc2nc(C)c1Cl,ADEWMBXHOGJXEG,ADEWMBXHOGJXEG-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN2O3/c1-8-13(18)11(7-23-2)12-14(20)16(24-17(12)21-8)15(22)9-3-5-10(19)6-4-9/h3-6H,7,20H2,1-2H3","""AuxInfo=1/0/N:22,1,12,17,13,16,3,21,11,14,4,5,23,6,9,8,19,24,15,7,20,10,2,18/E:(3,4)(5,6)/rA:24COCCCCNCCOCCCCFCCOCNCCCCl/rB:s1;s2;s3;d4;s5;s6;d6;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s8;s5s18;d19;s20;s21;s4d21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786294,PMID:19443219,2009.0,PMID:19443219,2009,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-ADFOVFQKGCCYAY_on_P31644_WT,High,ChEMBL30,CHEMBL3686277,CC(C)(c1ccc(C(N)=O)cn1)C(O)OCc1conc1-c1ccc(F)cn1,ADFOVFQKGCCYAY,ADFOVFQKGCCYAY-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O4/c1-19(2,15-6-3-11(7-23-15)17(21)25)18(26)27-9-12-10-28-24-16(12)14-5-4-13(20)8-22-14/h3-8,10,18,26H,9H2,1-2H3,(H2,21,25)","""AuxInfo=1/1/N:1,3,6,24,23,5,11,27,16,18,7,17,25,22,4,21,8,13,2,26,9,28,12,20,10,14,15,19/E:(1,2)/rA:28CCCCCCCCNOCNCOOCCCONCCCCCFCN/rB:s1;s2;s2;d4;s5;d6;s7;s8;d8;s7;s4d11;s2;s13;s13;s15;s16;d17;s18;s19;s17d20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ADINGBRUPHABQB_on_O00222_WT,High,ChEMBL30,CHEMBL4082769,COc1c(O)c([N+](=O)[O-])cc(C(N)P(=O)(O)CCC(N)C(=O)O)c1,ADINGBRUPHABQB,ADINGBRUPHABQB-UHFFFAOYSA-N,"InChI=1S/C12H18N3O8P/c1-23-9-5-6(4-8(10(9)16)15(19)20)11(14)24(21,22)3-2-7(13)12(17)18/h4-5,7,11,16H,2-3,13-14H2,1H3,(H,17,18)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,12,21,20,13,7,5,22,23,8,9,15,16,2,14/E:(17,18)(19,20)(21,22)/CRV:15.5/rA:24COCCOCN+OO-CCCNPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-ADINGBRUPHABQB_on_O15303_WT,Low,ChEMBL30,CHEMBL4082769,COc1c(O)c([N+](=O)[O-])cc(C(N)P(=O)(O)CCC(N)C(=O)O)c1,ADINGBRUPHABQB,ADINGBRUPHABQB-UHFFFAOYSA-N,"InChI=1S/C12H18N3O8P/c1-23-9-5-6(4-8(10(9)16)15(19)20)11(14)24(21,22)3-2-7(13)12(17)18/h4-5,7,11,16H,2-3,13-14H2,1H3,(H,17,18)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,12,21,20,13,7,5,22,23,8,9,15,16,2,14/E:(17,18)(19,20)(21,22)/CRV:15.5/rA:24COCCOCN+OO-CCCNPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ADINGBRUPHABQB_on_Q14833_WT,High,ChEMBL30,CHEMBL4082769,COc1c(O)c([N+](=O)[O-])cc(C(N)P(=O)(O)CCC(N)C(=O)O)c1,ADINGBRUPHABQB,ADINGBRUPHABQB-UHFFFAOYSA-N,"InChI=1S/C12H18N3O8P/c1-23-9-5-6(4-8(10(9)16)15(19)20)11(14)24(21,22)3-2-7(13)12(17)18/h4-5,7,11,16H,2-3,13-14H2,1H3,(H,17,18)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,12,21,20,13,7,5,22,23,8,9,15,16,2,14/E:(17,18)(19,20)(21,22)/CRV:15.5/rA:24COCCOCN+OO-CCCNPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-ADOZDJQXPOGXEV_on_P41594_WT,Low,ChEMBL30,CHEMBL224615,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2)c1=O,ADOZDJQXPOGXEV,ADOZDJQXPOGXEV-UHFFFAOYSA-N,"InChI=1S/C17H14N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,8,14,16,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ADOZDJQXPOGXEV_on_Q13255_WT,High,ChEMBL30,CHEMBL224615,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2)c1=O,ADOZDJQXPOGXEV,ADOZDJQXPOGXEV-UHFFFAOYSA-N,"InChI=1S/C17H14N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,8,14,16,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ADVBRTUBUIPIQA_on_P14867_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ADVBRTUBUIPIQA_on_P18507_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-ADVBRTUBUIPIQA_on_P28472_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-ADVBRTUBUIPIQA_on_P31644_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-ADVBRTUBUIPIQA_on_P34903_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ADVBRTUBUIPIQA_on_P47869_WT,Low,ChEMBL30,CHEMBL69945,COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ADVBRTUBUIPIQA,ADVBRTUBUIPIQA-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19COCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ADXKROCQFVLHGK_on_O15399_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-ADXKROCQFVLHGK_on_O60391_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-ADXKROCQFVLHGK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-ADXKROCQFVLHGK_on_Q05586_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750;  7.410,7.58,0.17,0.17,2.0,7.58,0.17
-ADXKROCQFVLHGK_on_Q12879_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-ADXKROCQFVLHGK_on_Q13224_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750;  7.410,7.58,0.17,0.17,2.0,7.58,0.17
-ADXKROCQFVLHGK_on_Q14957_WT,Low,ChEMBL30,CHEMBL124873,O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,ADXKROCQFVLHGK,ADXKROCQFVLHGK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,8,19,23,7,9,15,24,14,25,17,4,18,16,5,6,3,10,2,12,13,11,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCCCCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-AEGIKRBMUJASTE_on_P31644_WT,High,ChEMBL30,CHEMBL3676433,Cc1c(COc2ccc(C(=O)NCCO)cn2)c(C2CCCCN2)no1,AEGIKRBMUJASTE,AEGIKRBMUJASTE-UHFFFAOYSA-N,"InChI=1S/C18H24N4O4/c1-12-14(17(22-26-12)15-4-2-3-7-19-15)11-25-16-6-5-13(10-21-16)18(24)20-8-9-23/h5-6,10,15,19,23H,2-4,7-9,11H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,21,22,20,8,7,23,13,14,16,4,2,9,3,19,6,18,10,24,12,17,25,15,11,5,26/rA:26CCCCOCCCCCONCCOCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;s19;s20;s21;s22;s19s23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-AEOIZSSKEQUNLG_on_O15399_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_O60391_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_Q05586_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_Q12879_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_Q13224_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEOIZSSKEQUNLG_on_Q14957_WT,Low,ChEMBL30,CHEMBL41399,CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,AEOIZSSKEQUNLG,AEOIZSSKEQUNLG-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4S/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCSCCN+OO-CCCCClNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-AEPFXRGRJZMVIF_on_O00591_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_O14764_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P14867_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P18505_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P18507_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P28472_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P31644_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P34903_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P41594_WT,High,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  6.590;  6.410,6.5,0.09,0.09,2.0,6.5,0.09
-AEPFXRGRJZMVIF_on_P47869_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P47870_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P48169_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_P78334_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEPFXRGRJZMVIF_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410212,C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1,AEPFXRGRJZMVIF,AEPFXRGRJZMVIF-UHFFFAOYSA-N,"InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2","""AuxInfo=1/0/N:10,11,18,17,9,12,1,2,19,21,5,14,16,3,8,4,7,20,15,13,6/rA:21CCCCCOCCCCCCNCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AEQRNCMYEJOFBY_on_Q05586_WT,Low,ChEMBL30,CHEMBL159306,N=C(NCc1c(Cl)cccc1)c1cc2c(cccc2)cc1,AEQRNCMYEJOFBY,AEQRNCMYEJOFBY-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)","""AuxInfo=1/1/N:17,18,10,9,16,19,11,8,20,21,13,4,15,14,12,5,6,2,7,1,3/rA:21NCNCCCClCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;d14;s15;d16;s17;s14d18;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-AEQRNCMYEJOFBY_on_Q13224_WT,Low,ChEMBL30,CHEMBL159306,N=C(NCc1c(Cl)cccc1)c1cc2c(cccc2)cc1,AEQRNCMYEJOFBY,AEQRNCMYEJOFBY-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)","""AuxInfo=1/1/N:17,18,10,9,16,19,11,8,20,21,13,4,15,14,12,5,6,2,7,1,3/rA:21NCNCCCClCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;d14;s15;d16;s17;s14d18;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-AETXHLUBKZXEAA_on_P18507_WT,Low,ChEMBL30,CHEMBL1079090,Clc1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,AETXHLUBKZXEAA,AETXHLUBKZXEAA-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-14-13-6-21-15(17-7-19-21)11-5-10(9-1-2-9)3-4-12(11)20(13)8-18-14/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:16,17,13,12,18,4,7,20,15,14,10,11,3,2,9,1,8,21,6,19,5/E:(1,2)/rA:21ClCCCNNCNCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15s16;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-AETXHLUBKZXEAA_on_P28472_WT,Low,ChEMBL30,CHEMBL1079090,Clc1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,AETXHLUBKZXEAA,AETXHLUBKZXEAA-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-14-13-6-21-15(17-7-19-21)11-5-10(9-1-2-9)3-4-12(11)20(13)8-18-14/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:16,17,13,12,18,4,7,20,15,14,10,11,3,2,9,1,8,21,6,19,5/E:(1,2)/rA:21ClCCCNNCNCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15s16;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-AETXHLUBKZXEAA_on_P31644_WT,Low,ChEMBL30,CHEMBL1079090,Clc1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,AETXHLUBKZXEAA,AETXHLUBKZXEAA-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-14-13-6-21-15(17-7-19-21)11-5-10(9-1-2-9)3-4-12(11)20(13)8-18-14/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:16,17,13,12,18,4,7,20,15,14,10,11,3,2,9,1,8,21,6,19,5/E:(1,2)/rA:21ClCCCNNCNCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15s16;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-AEULCOQYMJLJAL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3904529,N#Cc1nc2c(ccc(CN3C(=O)CCC3=O)c2)c(-c2ccc(F)cc2)c1,AEULCOQYMJLJAL,AEULCOQYMJLJAL-UHFFFAOYSA-N,"InChI=1S/C21H14FN3O2/c22-15-4-2-14(3-5-15)18-10-16(11-23)24-19-9-13(1-6-17(18)19)12-25-20(26)7-8-21(25)27/h1-6,9-10H,7-8,12H2","""AuxInfo=1/0/N:8,21,26,22,25,7,14,15,18,27,2,10,9,20,23,3,6,19,5,12,16,24,1,4,11,13,17/E:(2,3)(4,5)(7,8)(20,21)(26,27)/rA:27NCCNCCCCCCNCOCCCOCCCCCCFCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;d12;s12;s14;s11s15;d16;s5d9;s6;s19;d20;s21;d22;s23;s23;s20d25;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-AEVHVTXUXXHKKE_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830907;53388191,N#Cc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,AEVHVTXUXXHKKE,AEVHVTXUXXHKKE-UHFFFAOYSA-N,"InChI=1S/C15H12N6S/c16-7-9-3-1-6-13(18-9)19-15-20-14-10-8-17-21-11(10)4-2-5-12(14)22-15/h1,3,6,8H,2,4-5H2,(H,17,21)(H,18,19,20)","""AuxInfo=1/1/N:5,14,4,15,13,6,2,18,3,17,16,12,7,11,9,1,19,22,8,10,20,21/rA:22NCCCCCCNCNCCCCCCCCNNSN/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;s11d16;s17;d18;s16s19;s9s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  5.310;  5.310,5.31,0.0,0.0,2.0,5.31,0.0
-AEWQMIPGNFXAOS_on_Q05586_WT,Medium,ChEMBL30,CHEMBL115761,C(#Cc1ccc2[nH]nnc2c1)CN1CCC(Cc2ccccc2)CC1,AEWQMIPGNFXAOS,AEWQMIPGNFXAOS-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-2-5-17(6-3-1)15-19-10-13-25(14-11-19)12-4-7-18-8-9-20-21(16-18)23-24-22-20/h1-3,5-6,8-9,16,19H,10-15H2,(H,22,23,24)","""AuxInfo=1/1/N:21,20,22,1,19,23,2,4,5,15,24,12,14,25,17,11,18,3,16,6,10,7,9,8,13/E:(2,3)(5,6)(10,11)(13,14)/rA:25CCCCCCNNNCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s6s9;s3d10;s1;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-AEYNYSGQGPCHKG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760307,O=C1NCCC1(c1ccccc1)N1CCCCC1,AEYNYSGQGPCHKG,AEYNYSGQGPCHKG-UHFFFAOYSA-N,"InChI=1S/C15H20N2O/c18-14-15(9-10-16-14,13-7-3-1-4-8-13)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,5,4,14,18,7,2,6,3,13,1/E:(3,4)(5,6)(7,8)(11,12)/rA:18OCNCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160;CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.600;  4.200,4.4,0.2,0.2,2.0,4.4,0.2
-AEYNYSGQGPCHKG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760307,O=C1NCCC1(c1ccccc1)N1CCCCC1,AEYNYSGQGPCHKG,AEYNYSGQGPCHKG-UHFFFAOYSA-N,"InChI=1S/C15H20N2O/c18-14-15(9-10-16-14,13-7-3-1-4-8-13)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,5,4,14,18,7,2,6,3,13,1/E:(3,4)(5,6)(7,8)(11,12)/rA:18OCNCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-AEYNYSGQGPCHKG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760307,O=C1NCCC1(c1ccccc1)N1CCCCC1,AEYNYSGQGPCHKG,AEYNYSGQGPCHKG-UHFFFAOYSA-N,"InChI=1S/C15H20N2O/c18-14-15(9-10-16-14,13-7-3-1-4-8-13)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,5,4,14,18,7,2,6,3,13,1/E:(3,4)(5,6)(7,8)(11,12)/rA:18OCNCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-AEYRTFCCYIWUJJ_on_O00591_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_O14764_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P14867_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P18505_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P18507_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P28472_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P31644_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P34903_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P47869_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P47870_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P48169_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_P78334_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AEYRTFCCYIWUJJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL329222,O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1,AEYRTFCCYIWUJJ,AEYRTFCCYIWUJJ-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-11-13(7-9(8)17)22-15(19-11)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,16,19,17,4,14,10,15,2,12,20,18,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCFCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s19;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AFAFVADNSQWWID_on_P41594_WT,Medium,ChEMBL30,CHEMBL3940876,CN1C(=O)N(c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C,AFAFVADNSQWWID,AFAFVADNSQWWID-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O/c1-19(2)13-23(18(24)22(19)3)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-12H,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,19,21,12,9,16,6,3,22,17,20,2,5,4/E:(1,2)/rA:24CNCONCCCCCCCCCCCClCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-AFGGLHHFLRPCNP_on_Q13255_WT,High,ChEMBL30,CHEMBL578580,CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1,AFGGLHHFLRPCNP,AFGGLHHFLRPCNP-UHFFFAOYSA-N,"InChI=1S/C16H12FN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,20,17,19,21,15,5,8,14,3,12,9,18,13,2,4,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22CNCOCCCCFCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-AFHDFFVGTGXNPL_on_O15399_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_O60391_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_Q05586_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_Q12879_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_Q13224_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFHDFFVGTGXNPL_on_Q14957_WT,Low,ChEMBL30,CHEMBL42805,O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,AFHDFFVGTGXNPL,AFHDFFVGTGXNPL-UHFFFAOYSA-N,"InChI=1S/C14H8ClN3O4/c15-8-5-10-12(16-6-8)13(19)11(14(20)17-10)7-2-1-3-9(4-7)18(21)22/h1-6H,(H2,17,19,20)","""AuxInfo=1/1/N:6,7,5,22,14,17,8,15,4,13,9,12,10,20,16,18,19,2,11,21,1,3/E:(21,22)/CRV:18.5/rA:22ON+O-CCCCCCCOCCCCClCNNCOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s13;s9d19;s20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AFJRYPJIKHMNGL_on_P14867_WT,High,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-AFJRYPJIKHMNGL_on_P18507_WT,Low,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111367;CHEMBL1111355;CHEMBL1111365;CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.100;  8.340;  6.760;  6.730,7.232,0.6559999999999999,0.379,4.0,6.93,0.185
-AFJRYPJIKHMNGL_on_P28472_WT,Low,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111367;CHEMBL1111366;CHEMBL1111365;CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.100;  6.730;  6.760;  8.340,7.232,0.6559999999999999,0.379,4.0,6.93,0.185
-AFJRYPJIKHMNGL_on_P31644_WT,High,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-AFJRYPJIKHMNGL_on_P34903_WT,High,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-AFJRYPJIKHMNGL_on_P47869_WT,High,ChEMBL30,CHEMBL1080588,FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,AFJRYPJIKHMNGL,AFJRYPJIKHMNGL-UHFFFAOYSA-N,"InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-AFKSTFXIAKZKBK_on_P41594_WT,Low,ChEMBL30,CHEMBL1783868,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,AFKSTFXIAKZKBK,AFKSTFXIAKZKBK-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(26-19)20(25)24(11-23-17)14-6-4-13(3)5-7-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)","""AuxInfo=1/1/N:1,3,22,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,9,5,15,17,26,12/E:(4,5)(6,7)/rA:26CCCCNCCCNCCSCCNCNCCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-AFKSTFXIAKZKBK_on_Q13255_WT,High,ChEMBL30,CHEMBL1783868,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,AFKSTFXIAKZKBK,AFKSTFXIAKZKBK-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(26-19)20(25)24(11-23-17)14-6-4-13(3)5-7-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)","""AuxInfo=1/1/N:1,3,22,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,9,5,15,17,26,12/E:(4,5)(6,7)/rA:26CCCCNCCCNCCSCCNCNCCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-AFLMEDYILBVTLD_on_O15399_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-AFLMEDYILBVTLD_on_O60391_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-AFLMEDYILBVTLD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-AFLMEDYILBVTLD_on_Q05586_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.620;  6.450,7.035,0.585,0.585,2.0,7.035,0.585
-AFLMEDYILBVTLD_on_Q12879_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-AFLMEDYILBVTLD_on_Q13224_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.620;  6.450,7.035,0.585,0.585,2.0,7.035,0.585
-AFLMEDYILBVTLD_on_Q14957_WT,Low,ChEMBL30,CHEMBL339570,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1,AFLMEDYILBVTLD,AFLMEDYILBVTLD-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,15,25,14,26,4,7,19,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(10,11)(12,13)/rA:26OCCCCCCCOCCNNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-AFPAAPCKUXCHGN_on_O00222_WT,High,ChEMBL30,CHEMBL4076857,NC(CCP(=O)(O)C(O)c1ccnc(O)c1)C(=O)O,AFPAAPCKUXCHGN,AFPAAPCKUXCHGN-UHFFFAOYSA-N,"InChI=1S/C10H15N2O6P/c11-7(9(14)15)2-4-19(17,18)10(16)6-1-3-12-8(13)5-6/h1,3,5,7,10,16H,2,4,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,3,12,4,16,10,2,14,17,8,1,13,15,18,19,9,6,7,5/E:(14,15)(17,18)/rA:19NCCCPOOCOCCCNCOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s10d14;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-AFPAAPCKUXCHGN_on_Q14833_WT,High,ChEMBL30,CHEMBL4076857,NC(CCP(=O)(O)C(O)c1ccnc(O)c1)C(=O)O,AFPAAPCKUXCHGN,AFPAAPCKUXCHGN-UHFFFAOYSA-N,"InChI=1S/C10H15N2O6P/c11-7(9(14)15)2-4-19(17,18)10(16)6-1-3-12-8(13)5-6/h1,3,5,7,10,16H,2,4,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,3,12,4,16,10,2,14,17,8,1,13,15,18,19,9,6,7,5/E:(14,15)(17,18)/rA:19NCCCPOOCOCCCNCOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s10d14;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-AFRDXYQVLBIYMU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403653;71713610,O=S(=O)(N1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,AFRDXYQVLBIYMU,AFRDXYQVLBIYMU-UHFFFAOYSA-N,"InChI=1S/C18H19N3O2S2/c22-25(23,20-11-4-5-12-20)21-13-10-16-17(14-21)24-18(19-16)9-8-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2","""AuxInfo=1/0/N:22,21,23,6,7,20,24,18,17,11,5,8,10,14,19,12,13,16,25,4,9,1,3,15,2/E:(2,3)(4,5)(6,7)(11,12)(22,23)/CRV:25.6/rA:25OSONCCCCNCCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s4s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  7.440;  7.444,7.442,0.002,0.002,2.0,7.442,0.002
-AGALLFGKUGSMHT_on_Q14416_WT,High,ChEMBL30,CHEMBL4089955,Cc1cc(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc(C)n1,AGALLFGKUGSMHT,AGALLFGKUGSMHT-UHFFFAOYSA-N,"InChI=1S/C24H20F4N4O/c1-13-9-17(10-14(2)29-13)33-20-6-5-16(12-19(20)25)18-7-8-32-21(11-15-3-4-15)30-31-23(32)22(18)24(26,27)28/h5-10,12,15H,3-4,11H2,1-2H3","""AuxInfo=1/0/N:1,32,23,24,28,29,27,26,3,30,21,9,2,31,22,10,4,11,7,6,20,12,17,13,8,14,15,16,33,19,18,25,5/E:(1,2)(3,4)(9,10)(13,14)(26,27,28)/rA:33CCCCOCCFCCCCCFFFCNNCCCCCNCCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s13;s13;s12;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s11d26;s10;s6d28;d4;s30;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.000;  7.190;  7.940,7.71,0.369,0.261,3.0,7.94,0.06
-AGFXVEKKLZNIOD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3951983,NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1,AGFXVEKKLZNIOD,AGFXVEKKLZNIOD-UHFFFAOYSA-N,"InChI=1S/C21H15F2N3O3/c22-13-3-1-11(2-4-13)14-9-18(21(24)29)25-17-7-12(16(23)8-15(14)17)10-26-19(27)5-6-20(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)","""AuxInfo=1/1/N:8,13,9,12,23,24,27,15,5,19,7,18,10,6,14,16,28,4,21,25,2,11,17,1,29,20,22,26,3/E:(1,2)(3,4)(5,6)(19,20)(27,28)/rA:29NCOCCCCCCCFCCCCCFCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s16;s18;s19;s20;d21;s21;s23;s20s24;d25;d18;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-AGGCYLLVYLDGAX_on_P31644_WT,High,ChEMBL30,CHEMBL3681563,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cc(F)ccc2F)no1,AGGCYLLVYLDGAX,AGGCYLLVYLDGAX-UHFFFAOYSA-N,"InChI=1S/C22H21F2N3O4/c1-13-18(21(27-31-13)17-10-15(23)3-4-19(17)24)12-30-20-5-2-14(11-25-20)22(28)26-16-6-8-29-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,8,26,27,7,14,18,15,17,23,19,4,2,9,24,13,22,3,28,6,21,10,25,29,20,12,30,11,16,5,31/E:(6,7)(8,9)/rA:31CCCCOCCCCCONCCCOCCCNCCCCFCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;s24;d24;s26;s22d27;s28;d21;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-AGGSMRWOSSYYHD_on_O15399_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_O60391_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGGSMRWOSSYYHD_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194817,N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3,AGGSMRWOSSYYHD,AGGSMRWOSSYYHD-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,16,14,21,18,19,15,17,13,20,5,4,12,2,6,1,3,11/E:(6,7,8,9)(10,11)(12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AGJYDFYYJUQKHZ_on_O15399_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_O60391_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGJYDFYYJUQKHZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365640,N=C(N)NN=Cc1ccc(F)cc1F,AGJYDFYYJUQKHZ,AGJYDFYYJUQKHZ-UHFFFAOYSA-N,"InChI=1S/C8H8F2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCFCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-AGNLIGOLIXPXKY_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159530,N=C(NCc1ccccc1)c1ccc(C(F)(F)F)cc1,AGNLIGOLIXPXKY,AGNLIGOLIXPXKY-UHFFFAOYSA-N,"InChI=1S/C15H13F3N2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,12,20,13,19,4,5,11,14,2,15,16,17,18,1,3/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:20NCNCCCCCCCCCCCCFFFCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s15;s15;s15;s14;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  6.320;  6.440,6.38,0.06,0.06,2.0,6.38,0.06
-AGRUDEKFABIJBU_on_P41594_WT,High,ChEMBL30,CHEMBL2403667,O=C1c2c(CN1C1CCCC1)nc(C#Cc1ccccc1)s2,AGRUDEKFABIJBU,AGRUDEKFABIJBU-UHFFFAOYSA-N,"InChI=1S/C18H16N2OS/c21-18-17-15(12-20(18)14-8-4-5-9-14)19-16(22-17)11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-9,12H2","""AuxInfo=1/0/N:19,18,20,9,10,17,21,8,11,15,14,5,16,7,4,13,3,2,12,6,1,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22OCCCCNCCCCCNCCCCCCCCCS/rB:d1;s2;d3;s4;s2s5;s6;s7;s8;s9;s7s10;s4;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-AGSFVTKORUUQJP_on_P14867_WT,Low,ChEMBL30,CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332;CHEMBL678329;CHEMBL822165;CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039,2004;2000;1998;1998;2000,0,0,0,1,0,,=,  7.230;  6.550;  6.550;  7.230;  7.230,6.957999999999999,0.33299999999999996,0.16699999999999998,5.0,7.23,0.0
-AGSFVTKORUUQJP_on_P18507_WT,Low,ChEMBL30,CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL682251;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681248;CHEMBL683045;CHEMBL683045;CHEMBL678329;CHEMBL822165;CHEMBL823916;CHEMBL3058328;CHEMBL3058330;CHEMBL824296;CHEMBL3058327;CHEMBL3058331;CHEMBL685338;CHEMBL3058332;CHEMBL683047;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:9767648;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;2000;2000;2000;2000;2000;1998;1998;2004;2004;1998;2004;2004;1998;2004;1998;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  8.890;  6.990;  8.140;  7.570;  6.500;  6.550;  7.360;  7.210;  6.900;  7.230;  6.550;  6.990;  8.890;  7.570;  6.500;  6.900;  7.360;  8.140;  7.230;  7.210;  6.900;  7.230;  7.360;  8.890;  7.570,7.385,0.6970000000000001,0.142,25.0,7.23,0.33
-AGSFVTKORUUQJP_on_P28472_WT,Low,ChEMBL30,CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL133112;CHEMBL133112;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL339163;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL683047;CHEMBL682251;CHEMBL685338;CHEMBL3058332;CHEMBL3058330;CHEMBL3058327;CHEMBL3058328;CHEMBL823916;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL678329;CHEMBL822165;CHEMBL3058331;CHEMBL822165;CHEMBL824296;CHEMBL683047;CHEMBL824296;CHEMBL823916;CHEMBL685338;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039,2000;2000;1998;2000;1998;2004;2004;2004;2004;1998;2000;2000;2000;2000;2000;2000;1998;2004;1998;1998;1998;1998;1998;1998;2000,0,0,0,1,0,,=,  8.890;  7.360;  7.210;  7.570;  8.140;  7.230;  7.570;  6.900;  8.890;  6.990;  7.210;  8.140;  6.990;  6.500;  6.550;  7.230;  7.230;  7.360;  6.550;  6.500;  6.900;  7.360;  7.570;  8.890;  6.900,7.385,0.6970000000000001,0.142,25.0,7.23,0.33
-AGSFVTKORUUQJP_on_P31644_WT,Low,ChEMBL30,CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL133112;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL3058328;CHEMBL685338;CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:10633039;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:9767648;PMID:10633039,2000;2004;1998;1998;2000,0,0,0,1,0,,=,  8.140;  8.890;  8.890;  8.140;  8.890,8.59,0.36700000000000005,0.184,5.0,8.89,0.0
-AGSFVTKORUUQJP_on_P34903_WT,Low,ChEMBL30,CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL3058330;CHEMBL823916;CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:10633039;PMID:9767648,2000;2004;1998;2000;1998,0,0,0,1,0,,=,  6.990;  7.570;  6.990;  7.570;  7.570,7.337999999999999,0.284,0.142,5.0,7.57,0.0
-AGSFVTKORUUQJP_on_P47869_WT,Low,ChEMBL30,CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL339163;CHEMBL133112,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331;CHEMBL681248;CHEMBL824296;CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648,2004;2000;1998;2000;1998,0,0,0,1,0,,=,  7.360;  6.500;  7.360;  7.360;  6.500,7.016,0.42100000000000004,0.21100000000000002,5.0,7.36,0.0
-AGSFVTKORUUQJP_on_Q16445_WT,Low,ChEMBL30,CHEMBL339163;CHEMBL133112;CHEMBL339163;CHEMBL133112;CHEMBL339163,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21,AGSFVTKORUUQJP,AGSFVTKORUUQJP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,24,3,7,6,15,17,16,9,18,23,11,25,10,19,20/rA:25CCCCCCCCCONCCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s17;d23;s6s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327;CHEMBL683045;CHEMBL683045;CHEMBL683047;CHEMBL683047,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648,2004;2000;2000;1998;1998,0,0,0,1,0,,=,  6.900;  7.210;  6.900;  7.210;  6.900,7.024,0.152,0.076,5.0,6.9,0.0
-AGWSNYOZTIPZLY_on_P41594_WT,High,ChEMBL30,CHEMBL595943,O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1,AGWSNYOZTIPZLY,AGWSNYOZTIPZLY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)","""AuxInfo=1/1/N:20,19,21,4,10,13,9,14,5,18,22,16,3,11,8,6,2,12,15,7,17,1/E:(2,3)(5,6)(7,8)(10,11)/rA:22OCCCCCNCCCCClCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-AHCAIHMKRAQOER_on_Q14833_WT,High,ChEMBL30,CHEMBL1209518,COc1cc(C=Cc2ccccc2)nc(N)n1,AHCAIHMKRAQOER,AHCAIHMKRAQOER-UHFFFAOYSA-N,"InChI=1S/C13H13N3O/c1-17-12-9-11(15-13(14)16-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,7,6,4,8,5,3,15,16,14,17,2/E:(3,4)(5,6)/rA:17COCCCCCCCCCCCNCNN/rB:s1;s2;d3;s4;s5;w?6;s7;d8;s9;d10;s11;s8d12;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-AHDLOWPJHUIHGF_on_O15399_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_O60391_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHDLOWPJHUIHGF_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365639,N#Cc1ccc(C=NNC(=N)N)cc1,AHDLOWPJHUIHGF,AHDLOWPJHUIHGF-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:4,14,5,13,2,7,3,6,10,1,11,12,8,9/E:(1,2)(3,4)(11,12)/rA:14NCCCCCCNNCNNCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.640,3.64,0.0,0.0,1.0,3.64,0.0
-AHEXZJGFKHLNFI_on_Q14833_WT,High,ChEMBL30,CHEMBL4062426,CN(C)C1CCN(CCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1,AHEXZJGFKHLNFI,AHEXZJGFKHLNFI-UHFFFAOYSA-N,"InChI=1S/C25H29N5O3/c1-28(2)18-7-10-29(11-8-18)12-13-32-20-5-6-24-21(15-20)22(27-31)16-25(33-24)23-14-19-4-3-9-30(19)17-26-23/h3-6,9,14-18,31H,7-8,10-13H2,1-2H3","""AuxInfo=1/0/N:1,3,21,20,12,13,5,33,22,6,32,8,9,18,31,26,24,4,19,11,30,27,17,14,16,25,28,2,7,23,29,10,15/E:(1,2)(7,8)(10,11)/rA:33CNCCCCNCCOCCCCOCCCCCCCNCNCCNOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s19s22;s23;s17d24;d16;s26;w?27;s28;s14s27;s11d30;s7;s4s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-AHHSTGLUTRNWRJ_on_P14867_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-AHHSTGLUTRNWRJ_on_P18507_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865018;CHEMBL870713;CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.590;  8.340;  8.300;  8.290,8.38,0.12300000000000001,0.071,4.0,8.32,0.025
-AHHSTGLUTRNWRJ_on_P28472_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865018;CHEMBL870713;CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.590;  8.340;  8.300;  8.290,8.38,0.12300000000000001,0.071,4.0,8.32,0.025
-AHHSTGLUTRNWRJ_on_P31644_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-AHHSTGLUTRNWRJ_on_P34903_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-AHHSTGLUTRNWRJ_on_P47869_WT,Low,ChEMBL30,CHEMBL203896,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1,AHHSTGLUTRNWRJ,AHHSTGLUTRNWRJ-UHFFFAOYSA-N,InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H,"""AuxInfo=1/0/N:10,9,27,13,18,21,30,26,3,11,12,19,2,6,7,16,22,28,14,15,5,20,1,8,17,23,29,4,25,24/E:(5,6)(16,17)(25,26)/rA:30FCCNCCCFCCCCCCCCFCCFCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s22;d14;s24;s12d25;s6d11;s5;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL870713,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-AHHXPJLZHPSYLT_on_Q13255_WT,High,ChEMBL30,CHEMBL576121,CN(C(=O)c1ccccc1)c1nc(-c2ccncc2)cs1,AHHXPJLZHPSYLT,AHHXPJLZHPSYLT-UHFFFAOYSA-N,"InChI=1S/C16H13N3OS/c1-19(15(20)13-5-3-2-4-6-13)16-18-14(11-21-16)12-7-9-17-10-8-12/h2-11H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,15,19,16,18,20,14,5,13,3,11,17,12,2,4,21/E:(3,4)(5,6)(7,8)(9,10)/rA:21CNCOCCCCCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s2;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-AHMIAXSHMNRUDM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787159,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)nccc1,AHMIAXSHMNRUDM,AHMIAXSHMNRUDM-UHFFFAOYSA-N,"InChI=1S/C21H15Cl2N3O2/c1-12-4-3-9-24-19(12)20(27)25-14-7-8-17(16(23)10-14)26-11-13-5-2-6-15(22)18(13)21(26)28/h2-10H,11H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,21,27,28,22,20,24,23,26,8,13,2,14,7,18,9,11,15,3,4,16,19,10,25,6,12,5,17/rA:28CCCCONCCCClCNCCCCOCClCCCCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s12s15;d16;s15;s18;d18;s20;s14d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-AHNRUDWDLSZAGN_on_Q14833_WT,High,ChEMBL30,CHEMBL2022873,c1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1,AHNRUDWDLSZAGN,AHNRUDWDLSZAGN-UHFFFAOYSA-N,InChI=1S/C16H11N3S/c1-2-5-15-14(4-1)13(7-8-17-15)12-10-18-19(11-12)16-6-3-9-20-16/h1-11H,"""AuxInfo=1/0/N:15,14,1,16,13,20,9,10,2,18,6,7,8,17,12,4,11,19,5,3/rA:20CCSCNCCCCCNCCCCCCCNC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s7;s5d18;s1d4;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-AHQUYLCMIRTGRZ_on_P41594_WT,High,ChEMBL30,CHEMBL1808881,Cc1c(C2CCCN2C(=O)C2CCC2)cnc(-c2cccc(Cl)c2)c1,AHQUYLCMIRTGRZ,AHQUYLCMIRTGRZ-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O/c1-14-11-19(16-7-3-8-17(22)12-16)23-13-18(14)20-9-4-10-24(20)21(25)15-5-2-6-15/h3,7-8,11-13,15,20H,2,4-6,9-10H2,1H3","""AuxInfo=1/0/N:1,13,20,6,12,14,19,21,5,7,25,24,15,2,11,18,22,3,17,4,9,23,16,8,10/E:(5,6)/rA:25CCCCCCCNCOCCCCCNCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;s11;s12;s11s13;s3;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  7.960;  7.820,7.89,0.07,0.07,2.0,7.89,0.07
-AHTXTFPELOVMKB_on_P14867_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-AHTXTFPELOVMKB_on_P18507_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680432;CHEMBL682709;CHEMBL677034;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.770;  8.540;  7.760;  9.360,8.607000000000001,0.573,0.331,4.0,8.655,0.41
-AHTXTFPELOVMKB_on_P28472_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680432;CHEMBL682709;CHEMBL677034;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.770;  8.540;  7.760;  9.360,8.607000000000001,0.573,0.331,4.0,8.655,0.41
-AHTXTFPELOVMKB_on_P31644_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.360,9.36,0.0,0.0,1.0,9.36,0.0
-AHTXTFPELOVMKB_on_P34903_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-AHTXTFPELOVMKB_on_P47869_WT,Low,ChEMBL30,CHEMBL120838,Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1,AHTXTFPELOVMKB,AHTXTFPELOVMKB-UHFFFAOYSA-N,"InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,22,27,29,26,30,17,14,2,28,25,16,15,10,11,9,6,12,5,18,31,8,7,23,3,24,13,4/E:(6,7)(8,9)/rA:31CCNOCCNNCCCCOCCCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;t17;s16;d19;s20;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-AHUSPBKZGQZHQB_on_P31644_WT,High,ChEMBL30,CHEMBL3686275,O=C(NCCO)c1ccc(OCc2conc2-c2ccccn2)nc1,AHUSPBKZGQZHQB,AHUSPBKZGQZHQB-UHFFFAOYSA-N,"InChI=1S/C17H16N4O4/c22-8-7-19-17(23)12-4-5-15(20-9-12)24-10-13-11-25-21-16(13)14-3-1-2-6-18-14/h1-6,9,11,22H,7-8,10H2,(H,19,23)","""AuxInfo=1/1/N:20,21,19,8,9,22,4,5,25,12,14,7,13,18,10,17,2,23,3,24,16,6,1,11,15/rA:25OCNCCOCCCCOCCCONCCCCCCNNC/rB:d1;s2;s3;s4;s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s18d22;s10;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-AHWOEIYYKQUHSN_on_P31644_WT,High,ChEMBL30,CHEMBL3681485,Cc1c(COc2ccc(NC(=O)C3CC3)cn2)c(-c2ccccc2)no1,AHWOEIYYKQUHSN,AHWOEIYYKQUHSN-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-13-17(19(23-26-13)14-5-3-2-4-6-14)12-25-18-10-9-16(11-21-18)22-20(24)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,22,21,23,20,24,14,15,8,7,16,4,2,19,13,9,3,6,18,11,17,10,25,12,5,26/E:(3,4)(5,6)(7,8)/rA:26CCCCOCCCCNCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s11;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-AIASBFLKLNIZOK_on_Q14833_WT,High,ExCAPE-DB,56587913,Clc1ccc2[nH]c(-c3ccccn3)nc2c1,AIASBFLKLNIZOK,AIASBFLKLNIZOK-UHFFFAOYSA-N,"InChI=1S/C12H8ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)","""AuxInfo=1/1/N:10,11,9,3,4,12,16,2,5,8,15,7,1,13,6,14/rA:16ClCCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-AIEXJBMFNJWAKC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3970177,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCCCC3)cc2n1,AIEXJBMFNJWAKC,AIEXJBMFNJWAKC-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O2/c23-16-7-4-14(5-8-16)18-13-20(21(24)27)25-19-12-15(6-9-17(18)19)22(28)26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11H2,(H2,24,27)","""AuxInfo=1/1/N:23,22,24,8,13,16,9,12,15,21,25,26,5,7,17,10,14,6,27,4,2,18,11,1,28,20,3,19/E:(2,3)(4,5)(7,8)(10,11)/rA:28NCOCCCCCCCFCCCCCCCONCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-AIEYCJQSSISNCJ_on_P41594_WT,Low,ChEMBL30,CHEMBL3655594,Cc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1,AIEYCJQSSISNCJ,AIEYCJQSSISNCJ-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-12-5-6-15(9-21-12)25-17-11-20-10-16(22-17)23-18(24)14-4-2-3-13(7-14)8-19/h2-7,9-11H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,17,18,16,3,4,22,20,24,10,8,2,19,15,5,11,7,13,21,9,25,23,12,14,6/rA:25CCCCCOCCNCCNCOCCCCCCNCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s15d19;s7d11;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-AIFRHYZBTHREPW_on_O00591_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_O14764_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P14867_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P18505_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P18507_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P28472_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P31644_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P34903_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P47869_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P47870_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P48169_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_P78334_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_Q16445_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIFRHYZBTHREPW_on_Q99928_WT,Low,ChEMBL30,CHEMBL275224,c1cc2c(cc1)c1c(cncc1)[nH]2,AIFRHYZBTHREPW,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H","""AuxInfo=1/0/N:6,1,5,2,12,11,9,4,7,3,8,10,13/rA:13CCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s3s8;/rC:;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-AIKMKUBZPSFYFF_on_Q13255_WT,High,ChEMBL30,CHEMBL1951882,O=c1c2c(ccn1-c1ccc(Br)cc1)c1c(nccc1NC1CC1)s2,AIKMKUBZPSFYFF,AIKMKUBZPSFYFF-UHFFFAOYSA-N,"InChI=1S/C19H14BrN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)","""AuxInfo=1/1/N:10,13,23,24,9,14,19,5,18,6,11,22,8,4,20,15,3,16,2,12,17,21,7,1,25/E:(1,2)(3,4)(5,6)/rA:25OCCCCCNCCCCBrCCCCNCCCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s22s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-AIMMPGMZHVMWCT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44393040;CHEMBL185813,Cc1ccc(C#Cc2csc(C)n2)cc1,AIMMPGMZHVMWCT,AIMMPGMZHVMWCT-UHFFFAOYSA-N,"InChI=1S/C13H11NS/c1-10-3-5-12(6-4-10)7-8-13-9-15-11(2)14-13/h3-6,9H,1-2H3","""AuxInfo=1/0/N:1,12,3,15,4,14,6,7,9,2,11,5,8,13,10/E:(3,4)(5,6)/rA:15CCCCCCCCCSCCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;s8d11;s5;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242195;CHEMBL828431,PMID:15225713,2004.0,PubChemAID:242195;PMID:15225713,2010;2004,0;1,0,0,0,1;0,,=,  6.073;  6.070,6.072,0.002,0.002,2.0,6.072,0.002
-AITBHINBCNTNCN_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023452;70694002,Cc1c(-c2ccnc3ccccc23)cnn1-c1ccccc1,AITBHINBCNTNCN,AITBHINBCNTNCN-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-14-18(13-21-22(14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3","""AuxInfo=1/0/N:1,20,19,21,11,10,18,22,12,9,5,6,14,2,17,4,13,3,8,7,15,16/E:(3,4)(7,8)/rA:22CCCCCCNCCCCCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s3;d14;s2s15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  6.170;  6.174,6.172000000000001,0.002,0.002,2.0,6.172000000000001,0.002
-AIWVTTHGPMLGPT_on_O14764_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-AIWVTTHGPMLGPT_on_P14867_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-AIWVTTHGPMLGPT_on_P18507_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-AIWVTTHGPMLGPT_on_P28472_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-AIWVTTHGPMLGPT_on_P47870_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-AIWVTTHGPMLGPT_on_P48169_WT,Low,ChEMBL30,CHEMBL4103751,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1,AIWVTTHGPMLGPT,AIWVTTHGPMLGPT-UHFFFAOYSA-N,"InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,4,13,32,27,21,19,7,22,6,11,10,31,16,17,2,14,23,24,25,26,28,20,18,3/E:(26,27,28)/rA:32CCOCCCCCCCCCCCCCCOCNCCCFFFCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s23;s23;s22;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-AIXGBGVZTRXQPV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106932,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F,AIXGBGVZTRXQPV,AIXGBGVZTRXQPV-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O3/c1-13-9-17(10-14(2)27-13)21-18-7-8-31-15(3)12-29(18)22(28-21)16-5-6-19(30-4)20(11-16)32-23(24,25)26/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:13,16,23,1,5,4,19,20,11,17,26,24,12,15,22,6,10,18,3,27,9,7,29,30,31,32,14,8,25,2,21,28/E:(1,2)(9,10)(13,14)(24,25,26)/rA:32COCCCCCNCCCCCNCCCCCCOCCCNCCOCFFF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-AJASJCCJLLTPOF_on_P41594_WT,Low,ChEMBL30,CHEMBL131922,NC(CCc1nsnc1O)C(=O)O,AJASJCCJLLTPOF,AJASJCCJLLTPOF-UHFFFAOYSA-N,"InChI=1S/C6H9N3O3S/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:3,4,2,5,9,11,1,6,8,10,12,13,7/E:(11,12)/rA:13NCCCCNSNCOCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3391363,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,1,0,0,0,,=,  3.721,3.721,0.0,0.0,1.0,3.721,0.0
-AJASJCCJLLTPOF_on_Q14416_WT,High,ChEMBL30,CHEMBL334842;CHEMBL131922,NC(CCc1nsnc1O)C(=O)O,AJASJCCJLLTPOF,AJASJCCJLLTPOF-UHFFFAOYSA-N,"InChI=1S/C6H9N3O3S/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:3,4,2,5,9,11,1,6,8,10,12,13,7/E:(11,12)/rA:13NCCCCNSNCOCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3391360,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,1,0,0,0,,=,  4.430;  4.400,4.415,0.015,0.015,2.0,4.415,0.015
-AJBNCPAXQVKUKD_on_P41594_WT,High,ChEMBL30,CHEMBL2113099,O=C1c2c(cccc2)C(=O)N1C1C=C(C#Cc2ncccc2)CCC1,AJBNCPAXQVKUKD,AJBNCPAXQVKUKD-UHFFFAOYSA-N,"InChI=1S/C21H16N2O2/c24-20-18-9-1-2-10-19(18)21(25)23(20)17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-4,7,9-10,13-14,17H,5-6,8H2","""AuxInfo=1/0/N:6,7,21,20,24,23,22,25,5,8,15,16,19,13,14,17,12,4,3,9,2,18,11,10,1/E:(1,2)(9,10)(18,19)(20,21)(24,25)/rA:25OCCCCCCCCONCCCCCCNCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s23;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-AJDOCVSDQVAAMU_on_P41594_WT,High,ChEMBL30,CHEMBL1779857,CN1CCc2c(ccc(C#Cc3cccs3)n2)C1=O,AJDOCVSDQVAAMU,AJDOCVSDQVAAMU-UHFFFAOYSA-N,"InChI=1S/C15H12N2OS/c1-17-9-8-14-13(15(17)18)7-5-11(16-14)4-6-12-3-2-10-19-12/h2-3,5,7,10H,8-9H2,1H3","""AuxInfo=1/0/N:1,14,13,10,8,11,7,4,3,15,9,12,6,5,18,17,2,19,16/rA:19CNCCCCCCCCCCCCCSNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s12s15;s5d9;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,1;0,0,0,0;1,0,,=,  6.350;  5.660,6.005,0.345,0.345,2.0,6.005,0.345
-AJFNPHWKEFNPOB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3939809,CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cc2F)CC1(C)C,AJFNPHWKEFNPOB,AJFNPHWKEFNPOB-UHFFFAOYSA-N,"InChI=1S/C20H18F2N2O/c1-20(2)11-16(19(25)24(20)3)18-17(22)10-14(12-23-18)8-7-13-5-4-6-15(21)9-13/h4-6,9-10,12,16H,11H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,18,19,22,8,12,9,16,5,20,6,3,23,17,21,7,2,4/E:(1,2)/rA:25CNCOCCNCCCCCCCCCFCCCFCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s20;s5;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-AJFPECGYRXUAHZ_on_Q14833_WT,High,ChEMBL30,CHEMBL3809272,Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F,AJFPECGYRXUAHZ,AJFPECGYRXUAHZ-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O3S/c1-12-10-14(5-6-15(12)18)25(23,24)21-9-7-13(11-21)20-17(22)16-4-2-3-8-19-16/h2-11H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,17,18,16,22,23,10,19,9,3,21,2,11,4,24,15,13,25,20,12,8,14,6,7,5/E:(23,24)/CRV:25.6/rA:25CCCCSOONCCCNCOCCCCCNCCCCF/rB:s1;d2;s3;s4;d5;d5;s5;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s8d11;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.570;  6.570,6.57,0.0,0.0,2.0,6.57,0.0
-AJGDMXXEZHXEQN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3916737,CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)C1O,AJGDMXXEZHXEQN,AJGDMXXEZHXEQN-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-19(2)13-21(18(23)17(19)22)16-11-10-15(12-20-16)9-8-14-6-4-3-5-7-14/h3-7,10-12,17,22H,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,8,7,18,4,12,9,6,22,20,2,19,5,23,21/E:(1,2)(4,5)(6,7)/rA:23CCCCNCCCCCCCCCCCCCNCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-AJHMHTJMLSRTHL_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799697,CCN(Cc1cc(=O)n2c(-c3cnccc3)c(C)sc2n1)c1ccc(F)cc1,AJHMHTJMLSRTHL,AJHMHTJMLSRTHL-UHFFFAOYSA-N,"InChI=1S/C21H19FN4OS/c1-3-25(18-8-6-16(22)7-9-18)13-17-11-19(27)26-20(14(2)28-21(26)24-17)15-5-4-10-23-12-15/h4-12H,3,13H2,1-2H3","""AuxInfo=1/0/N:1,18,2,15,16,24,27,23,28,14,6,12,4,17,11,25,5,22,7,10,20,26,13,21,3,9,8,19/E:(6,7)(8,9)/rA:28CCNCCCCONCCCNCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-AJHMHTJMLSRTHL_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799697,CCN(Cc1cc(=O)n2c(-c3cnccc3)c(C)sc2n1)c1ccc(F)cc1,AJHMHTJMLSRTHL,AJHMHTJMLSRTHL-UHFFFAOYSA-N,"InChI=1S/C21H19FN4OS/c1-3-25(18-8-6-16(22)7-9-18)13-17-11-19(27)26-20(14(2)28-21(26)24-17)15-5-4-10-23-12-15/h4-12H,3,13H2,1-2H3","""AuxInfo=1/0/N:1,18,2,15,16,24,27,23,28,14,6,12,4,17,11,25,5,22,7,10,20,26,13,21,3,9,8,19/E:(6,7)(8,9)/rA:28CCNCCCCONCCCNCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-AJLMTLAHHZNLEA_on_P41594_WT,High,ChEMBL30,CHEMBL181424,Cc1cccc(NC(=O)c2nc(C)ccc2N)n1,AJLMTLAHHZNLEA,AJLMTLAHHZNLEA-UHFFFAOYSA-N,"InChI=1S/C13H14N4O/c1-8-4-3-5-11(15-8)17-13(18)12-10(14)7-6-9(2)16-12/h3-7H,14H2,1-2H3,(H,15,17,18)","""AuxInfo=1/1/N:1,13,4,3,5,14,15,2,12,16,6,10,8,17,18,11,7,9/rA:18CCCCCCNCOCNCCCCCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AJLRUYZRQDKJFI_on_Q14416_WT,High,ChEMBL30,CHEMBL3899832,CC(=O)c1c(O)c(C)c(OCc2ccc(Oc3nccc(-c4n[nH]nn4)c3)cc2)cc1,AJLRUYZRQDKJFI,AJLRUYZRQDKJFI-UHFFFAOYSA-N,"InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)","""AuxInfo=1/1/N:8,1,13,29,14,28,31,30,20,19,27,11,7,2,12,21,15,4,9,17,5,22,18,23,26,24,25,3,6,10,16/E:(3,4)(5,6)(24,25)(26,27)/rA:31CCOCCOCCCOCCCCCOCNCCCCNNNNCCCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s23;s24;s22d25;s17d21;s15;s12d28;s9;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-AJNXCTFYCKDBPU_on_O15399_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.090;  6.450,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_O60391_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.090;  6.450,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.450;  6.090,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_Q05586_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.090;  6.450,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_Q12879_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.450;  6.090,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_Q13224_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.450;  6.090,6.27,0.18,0.18,2.0,6.27,0.18
-AJNXCTFYCKDBPU_on_Q14957_WT,Low,ChEMBL30,CHEMBL310170,CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1,AJNXCTFYCKDBPU,AJNXCTFYCKDBPU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-9-5-7-11-15(13)19-17(18)20-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,12,2,11,19,14,18,15,20,13,17,16,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCNCNNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.450;  6.090,6.27,0.18,0.18,2.0,6.27,0.18
-AJOCWRNYTHRILU_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836709;CHEMBL1830903,Fc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,AJOCWRNYTHRILU,AJOCWRNYTHRILU-UHFFFAOYSA-N,"InChI=1S/C14H12FN5S/c15-11-5-2-6-12(17-11)18-14-19-13-8-7-16-20-9(8)3-1-4-10(13)21-14/h2,5-7H,1,3-4H2,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:11,20,12,10,21,19,15,14,13,9,2,4,8,6,1,16,3,5,7,17,18/rA:21FCNCNCNCCCCCCCCNNSCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.979;  6.980,6.979,0.001,0.001,2.0,6.979,0.001
-AJPICTKFMAOCMJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681527,COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,AJPICTKFMAOCMJ,AJPICTKFMAOCMJ-UHFFFAOYSA-N,"InChI=1S/C27H25N3O5/c1-18-22(25(30-35-18)20-11-7-4-8-12-20)17-34-24-14-13-21(16-28-24)26(31)29-23(27(32)33-2)15-19-9-5-3-6-10-19/h3-14,16,23H,15,17H2,1-2H3,(H,29,31)","""AuxInfo=1/1/N:24,1,10,31,9,11,30,32,8,12,29,33,17,18,6,35,21,23,7,28,16,22,5,19,27,14,3,34,13,26,15,4,2,20,25/E:(5,6)(7,8)(9,10)(11,12)/rA:35COCOCCCCCCCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5;s13;d14;s14;d16;s17;d18;s19;s20;s21;d22;s23;s23;s25;s22d26;s27;d28;s29;d30;s31;s28d32;s19;s16d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-AJRROKWDGJEDCW_on_Q14416_WT,High,ChEMBL30,CHEMBL4287326,Cc1cccc(-c2ccc(OCC3Cn4cc(C)c(=O)nc4O3)cc2)c1C,AJRROKWDGJEDCW,AJRROKWDGJEDCW-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-11-15(2)21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3","""AuxInfo=1/0/N:1,18,27,4,3,5,8,25,9,24,16,14,12,2,17,26,7,10,13,6,19,22,21,15,20,11,23/E:(7,8)(9,10)/rA:27CCCCCCCCCCOCCCNCCCCONCOCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;d16;s17;s17;d19;s19;s15d21;s13s22;s10;s7d24;s2d6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-AJSOPCTYDMXEJW_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16038352;CHEMBL238262,Cc1ccc(-n2cnc3c(sc4c3c3n[nH]cc3cn4)c2=O)cc1,AJSOPCTYDMXEJW,AJSOPCTYDMXEJW-UHFFFAOYSA-N,"InChI=1S/C17H11N5OS/c1-9-2-4-11(5-3-9)22-8-19-14-12-13-10(7-20-21-13)6-18-16(12)24-15(14)17(22)23/h2-8H,1H3,(H,20,21)","""AuxInfo=1/1/N:1,3,24,4,23,19,17,7,2,18,5,13,14,9,10,12,21,20,8,16,15,6,22,11/E:(2,3)(4,5)/rA:24CCCCCNCNCCSCCCNNCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;s14d17;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:302748;CHEMBL899859,PMID:17929793,2007.0,PubChemAID:302748;PMID:17929793,2010;2007,0;1,0,0,0,1;0,,=,  7.775;  7.780,7.777,0.003,0.003,2.0,7.777,0.002
-AJTHQFDFQAZPKC_on_P14867_WT,Low,ChEMBL30,CHEMBL608389,COc1ccc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,AJTHQFDFQAZPKC,AJTHQFDFQAZPKC-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3","""AuxInfo=1/0/N:19,1,12,13,11,14,5,21,4,22,15,18,6,10,3,9,16,7,20,2,17,8/E:(7,8)(9,10)/rA:22COCCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s10;s7s15;s16;s17;s18;d18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-AJTHQFDFQAZPKC_on_P18507_WT,Low,ChEMBL30,CHEMBL608389,COc1ccc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,AJTHQFDFQAZPKC,AJTHQFDFQAZPKC-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3","""AuxInfo=1/0/N:19,1,12,13,11,14,5,21,4,22,15,18,6,10,3,9,16,7,20,2,17,8/E:(7,8)(9,10)/rA:22COCCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s10;s7s15;s16;s17;s18;d18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-AJTHQFDFQAZPKC_on_P47870_WT,Low,ChEMBL30,CHEMBL608389,COc1ccc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,AJTHQFDFQAZPKC,AJTHQFDFQAZPKC-UHFFFAOYSA-N,"InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3","""AuxInfo=1/0/N:19,1,12,13,11,14,5,21,4,22,15,18,6,10,3,9,16,7,20,2,17,8/E:(7,8)(9,10)/rA:22COCCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s10;s7s15;s16;s17;s18;d18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-AJTIJRUGVRMRDN_on_P14867_WT,Low,ChEMBL30,CHEMBL50763,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21,AJTIJRUGVRMRDN,AJTIJRUGVRMRDN-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2","""AuxInfo=1/0/N:26,27,25,18,19,4,8,5,7,10,22,17,28,24,11,12,30,13,16,2,29,21,20,14,3,9,23,1,6,15/E:(4,5)(6,7)(8,9)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCCFC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s28;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-AJTIJRUGVRMRDN_on_P18507_WT,Low,ChEMBL30,CHEMBL50763,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21,AJTIJRUGVRMRDN,AJTIJRUGVRMRDN-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2","""AuxInfo=1/0/N:26,27,25,18,19,4,8,5,7,10,22,17,28,24,11,12,30,13,16,2,29,21,20,14,3,9,23,1,6,15/E:(4,5)(6,7)(8,9)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCCFC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s28;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683024;CHEMBL685347;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.290;  7.890;  9.770,8.982999999999999,0.7979999999999999,0.564,3.0,9.29,0.48
-AJTIJRUGVRMRDN_on_P34903_WT,Low,ChEMBL30,CHEMBL50763,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21,AJTIJRUGVRMRDN,AJTIJRUGVRMRDN-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2","""AuxInfo=1/0/N:26,27,25,18,19,4,8,5,7,10,22,17,28,24,11,12,30,13,16,2,29,21,20,14,3,9,23,1,6,15/E:(4,5)(6,7)(8,9)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCCFC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s28;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.290,9.29,0.0,0.0,1.0,9.29,0.0
-AJTIJRUGVRMRDN_on_P47870_WT,Low,ChEMBL30,CHEMBL50763,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21,AJTIJRUGVRMRDN,AJTIJRUGVRMRDN-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2","""AuxInfo=1/0/N:26,27,25,18,19,4,8,5,7,10,22,17,28,24,11,12,30,13,16,2,29,21,20,14,3,9,23,1,6,15/E:(4,5)(6,7)(8,9)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCCFC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s28;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL683024;CHEMBL685347;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.290;  7.890;  9.770,8.982999999999999,0.7979999999999999,0.564,3.0,9.29,0.48
-AJTIJRUGVRMRDN_on_Q16445_WT,Low,ChEMBL30,CHEMBL50763,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21,AJTIJRUGVRMRDN,AJTIJRUGVRMRDN-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2","""AuxInfo=1/0/N:26,27,25,18,19,4,8,5,7,10,22,17,28,24,11,12,30,13,16,2,29,21,20,14,3,9,23,1,6,15/E:(4,5)(6,7)(8,9)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCCFC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s28;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685347,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-AJUOQAFFUYWDQQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3986465,N#Cc1nc2c(ccc(CN3C(=O)COC3=O)c2)c(-c2ccc(F)cc2)c1,AJUOQAFFUYWDQQ,AJUOQAFFUYWDQQ-UHFFFAOYSA-N,"InChI=1S/C20H12FN3O3/c21-14-4-2-13(3-5-14)17-8-15(9-22)23-18-7-12(1-6-16(17)18)10-24-19(25)11-27-20(24)26/h1-8H,10-11H2","""AuxInfo=1/0/N:8,21,26,22,25,7,18,27,2,10,14,9,20,23,3,6,19,5,12,16,24,1,4,11,13,17,15/E:(2,3)(4,5)/rA:27NCCNCCCCCCNCOCOCOCCCCCCFCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;d12;s12;s14;s11s15;d16;s5d9;s6;s19;d20;s21;d22;s23;s23;s20d25;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-AJWPZYMLAILYCO_on_P14867_WT,Low,ChEMBL30,CHEMBL382412,N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,AJWPZYMLAILYCO,AJWPZYMLAILYCO-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H","""AuxInfo=1/0/N:5,4,6,14,13,26,27,29,2,17,15,3,10,11,7,16,21,9,19,22,12,8,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCCFCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s3d7;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-AJWPZYMLAILYCO_on_P18507_WT,Low,ChEMBL30,CHEMBL382412,N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,AJWPZYMLAILYCO,AJWPZYMLAILYCO-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H","""AuxInfo=1/0/N:5,4,6,14,13,26,27,29,2,17,15,3,10,11,7,16,21,9,19,22,12,8,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCCFCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s3d7;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004;CHEMBL864002;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.420;  9.060;  9.300,9.26,0.15,0.106,3.0,9.3,0.12
-AJWPZYMLAILYCO_on_P28472_WT,Low,ChEMBL30,CHEMBL382412,N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,AJWPZYMLAILYCO,AJWPZYMLAILYCO-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H","""AuxInfo=1/0/N:5,4,6,14,13,26,27,29,2,17,15,3,10,11,7,16,21,9,19,22,12,8,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCCFCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s3d7;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL864005;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.420;  9.300;  9.060,9.26,0.15,0.106,3.0,9.3,0.12
-AJWPZYMLAILYCO_on_P31644_WT,Low,ChEMBL30,CHEMBL382412,N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,AJWPZYMLAILYCO,AJWPZYMLAILYCO-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H","""AuxInfo=1/0/N:5,4,6,14,13,26,27,29,2,17,15,3,10,11,7,16,21,9,19,22,12,8,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCCFCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s3d7;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-AJWPZYMLAILYCO_on_P34903_WT,Low,ChEMBL30,CHEMBL382412,N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,AJWPZYMLAILYCO,AJWPZYMLAILYCO-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H","""AuxInfo=1/0/N:5,4,6,14,13,26,27,29,2,17,15,3,10,11,7,16,21,9,19,22,12,8,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCCFCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s3d7;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-AJZJXPNIFWAHHT_on_O15399_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.400;  4.310,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_O60391_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.400;  4.310,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.400;  4.310,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.310;  5.400,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.310;  5.400,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.310;  5.400,4.855,0.545,0.545,2.0,4.855,0.545
-AJZJXPNIFWAHHT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1162346,N=C(N)NCc1cccc(CNC(=N)N)n1,AJZJXPNIFWAHHT,AJZJXPNIFWAHHT-UHFFFAOYSA-N,"InChI=1S/C9H15N7/c10-8(11)14-4-6-2-1-3-7(16-6)5-15-9(12)13/h1-3H,4-5H2,(H4,10,11,14)(H4,12,13,15)","""AuxInfo=1/1/N:8,7,9,5,11,6,10,2,13,1,3,14,15,4,12,16/E:(2,3)(4,5)(6,7)(8,9)(10,11,12,13)(14,15)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.310;  5.400,4.855,0.545,0.545,2.0,4.855,0.545
-AJZOJMKFJGGDFM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3955723,CC1(C)CC(=O)N(c2ccc(C#Cc3cccnc3)cn2)C1,AJZOJMKFJGGDFM,AJZOJMKFJGGDFM-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-18(2)10-17(22)21(13-18)16-8-7-15(12-20-16)6-5-14-4-3-9-19-11-14/h3-4,7-9,11-12H,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,13,12,10,9,17,4,19,20,22,14,11,8,5,2,18,21,7,6/E:(1,2)/rA:22CCCCCONCCCCCCCCCCNCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-AKCGNQRHTCXVRF_on_P41594_WT,High,ChEMBL30,CHEMBL212724,Cc1cccc(C(=O)Nc2cccc(C)n2)c1,AKCGNQRHTCXVRF,AKCGNQRHTCXVRF-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-10-5-3-7-12(9-10)14(17)16-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,15,4,12,3,13,5,11,17,2,14,6,10,7,16,9,8/rA:17CCCCCCCONCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-AKDSPRXIQQMVKS_on_P14867_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-AKDSPRXIQQMVKS_on_P18507_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.410;  7.090;  7.470;  7.580,7.6370000000000005,0.48200000000000004,0.278,4.0,7.525,0.245
-AKDSPRXIQQMVKS_on_P28472_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.470;  7.090;  8.410;  7.580,7.6370000000000005,0.48200000000000004,0.278,4.0,7.525,0.245
-AKDSPRXIQQMVKS_on_P31644_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-AKDSPRXIQQMVKS_on_P34903_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-AKDSPRXIQQMVKS_on_P47869_WT,Low,ChEMBL30,CHEMBL361200,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1,AKDSPRXIQQMVKS,AKDSPRXIQQMVKS-UHFFFAOYSA-N,"InChI=1S/C26H22N6O/c1-2-6-18(7-3-1)24-29-30-25-22-16-10-12-17(13-11-16)23(22)26(31-32(24)25)33-15-19-14-27-20-8-4-5-9-21(20)28-19/h1-9,14,16-17H,10-13,15H2","""AuxInfo=1/0/N:1,2,33,19,20,3,32,18,21,28,30,27,31,23,13,29,26,4,14,17,16,9,10,5,8,11,22,15,6,7,24,25,12/E:(2,3)(6,7)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-AKHPGLXRXQHYOE_on_Q12879_WT,Low,ChEMBL30,CHEMBL147201,Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,AKHPGLXRXQHYOE,AKHPGLXRXQHYOE-UHFFFAOYSA-N,"InChI=1S/C18H25N3S2/c1-15-19-20-18(23-15)22-13-5-10-21-11-8-17(9-12-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,3,4,10,6,23/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-AKHPGLXRXQHYOE_on_Q13224_WT,Medium,ChEMBL30,CHEMBL147201,Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,AKHPGLXRXQHYOE,AKHPGLXRXQHYOE-UHFFFAOYSA-N,"InChI=1S/C18H25N3S2/c1-15-19-20-18(23-15)22-13-5-10-21-11-8-17(9-12-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,3,4,10,6,23/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-AKHPGLXRXQHYOE_on_Q14957_WT,Low,ChEMBL30,CHEMBL147201,Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,AKHPGLXRXQHYOE,AKHPGLXRXQHYOE-UHFFFAOYSA-N,"InChI=1S/C18H25N3S2/c1-15-19-20-18(23-15)22-13-5-10-21-11-8-17(9-12-21)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,3,4,10,6,23/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-AKHQVIZELNFWSQ_on_O00591_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_O14764_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P14867_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075;CHEMBL678329;CHEMBL822162,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:9651158,1997;2000;1998,1;0;0,0,0,0;1;1,0,,=,  6.290;  6.550;  6.550,6.462999999999999,0.12300000000000001,0.087,3.0,6.55,0.0
-AKHQVIZELNFWSQ_on_P18505_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P18507_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL678329;CHEMBL822162,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:9651158,1997;2000;1998,1;0;0,0,0,0;1;1,0,,=,  6.290;  6.550;  6.550,6.462999999999999,0.12300000000000001,0.087,3.0,6.55,0.0
-AKHQVIZELNFWSQ_on_P28472_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075;CHEMBL678329;CHEMBL822162,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:9651158,1997;2000;1998,1;0;0,0,0,0;1;1,0,,=,  6.290;  6.550;  6.550,6.462999999999999,0.12300000000000001,0.087,3.0,6.55,0.0
-AKHQVIZELNFWSQ_on_P31644_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P34903_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P47869_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P47870_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P48169_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_P78334_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKHQVIZELNFWSQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL67421,CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,AKHQVIZELNFWSQ,AKHQVIZELNFWSQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14/h3-9,16H,1-2H3","""AuxInfo=1/0/N:1,3,13,14,12,15,17,7,2,11,16,10,8,5,6,9,4/E:(1,2)/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-AKNJXYTVPQMGQF_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798907,CCN(Cc1cc(=O)n2c(N3CCOCC3)c(C)sc2n1)c1ccc(F)cc1,AKNJXYTVPQMGQF,AKNJXYTVPQMGQF-UHFFFAOYSA-N,"InChI=1S/C20H23FN4O2S/c1-3-23(17-6-4-15(21)5-7-17)13-16-12-18(26)25-19(14(2)28-20(25)22-16)24-8-10-27-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,18,2,24,27,23,28,12,16,13,15,6,4,17,25,5,22,7,10,20,26,21,3,11,9,8,14,19/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCNCCCCONCNCCOCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-AKNJXYTVPQMGQF_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798907,CCN(Cc1cc(=O)n2c(N3CCOCC3)c(C)sc2n1)c1ccc(F)cc1,AKNJXYTVPQMGQF,AKNJXYTVPQMGQF-UHFFFAOYSA-N,"InChI=1S/C20H23FN4O2S/c1-3-23(17-6-4-15(21)5-7-17)13-16-12-18(26)25-19(14(2)28-20(25)22-16)24-8-10-27-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,18,2,24,27,23,28,12,16,13,15,6,4,17,25,5,22,7,10,20,26,21,3,11,9,8,14,19/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCNCCCCONCNCCOCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-AKPIPDYJVYYOIY_on_O15399_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_O60391_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_Q05586_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_Q12879_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_Q13224_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKPIPDYJVYYOIY_on_Q14957_WT,Low,ChEMBL30,CHEMBL422495,CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1,AKPIPDYJVYYOIY,AKPIPDYJVYYOIY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2S2/c1-20(11-5-4-6-12(9-11)23(2)21)16(18)19-15-10-13(24(3)22)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,20,10,23,24,22,12,13,17,7,16,18,8,14,6,3,15,4,5,2,21,11,19,9/rA:24CNCNNCCCS+CO-CCCClCCCS+CO-CCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;s9;s9;d8;s12;s6d13;s14;s2;d16;s17;s18;s19;s19;d18;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-AKQCXZGTHURUGU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11696595;CHEMBL224322,CN(C)c1ccnc2c1c1c(s2)c(=O)n(C23CC4CC(CC(C4)C2)C3)cn1,AKQCXZGTHURUGU,AKQCXZGTHURUGU-UHFFFAOYSA-N,"InChI=1S/C21H24N4OS/c1-24(2)15-3-4-22-19-16(15)17-18(27-19)20(26)25(11-23-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h3-4,11-14H,5-10H2,1-2H3","""AuxInfo=1/0/N:1,3,5,6,19,21,23,25,17,24,26,20,18,22,4,9,10,11,8,13,16,7,27,2,15,14,12/E:(1,2)(5,6,7)(8,9,10)(12,13,14)/rA:27CNCCCCNCCCCSCONCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;s15;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.812;  6.810,6.811,0.001,0.001,2.0,6.811,0.001
-AKQCXZGTHURUGU_on_Q13255_WT,High,ChEMBL30,CHEMBL224322,CN(C)c1ccnc2c1c1c(s2)c(=O)n(C23CC4CC(CC(C4)C2)C3)cn1,AKQCXZGTHURUGU,AKQCXZGTHURUGU-UHFFFAOYSA-N,"InChI=1S/C21H24N4OS/c1-24(2)15-3-4-22-19-16(15)17-18(27-19)20(26)25(11-23-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h3-4,11-14H,5-10H2,1-2H3","""AuxInfo=1/0/N:1,3,5,6,19,21,23,25,17,24,26,20,18,22,4,9,10,11,8,13,16,7,27,2,15,14,12/E:(1,2)(5,6,7)(8,9,10)(12,13,14)/rA:27CNCCCCNCCCCSCONCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;s15;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-AKRBCPCYMFKJLQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,46226029;CHEMBL594296,CC1CCCN(C(=O)c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)C1,AKRBCPCYMFKJLQ,AKRBCPCYMFKJLQ-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O/c1-12-3-2-8-23(11-12)18(24)13-9-16(20)17(21-10-13)22-15-6-4-14(19)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,4,3,17,20,16,21,5,10,23,24,2,9,18,15,11,13,7,19,12,22,14,6,8/E:(4,5)(6,7)/rA:24CCCCCNCOCCCClCNCCCCClCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;s18;s15d20;s13;s9d22;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451779;CHEMBL1065281,PMID:19931453,2010.0,PubChemAID:451779;PMID:19931453,2010,0;1,0,0,0,1;0,,=,  7.022;  7.020,7.021,0.001,0.001,2.0,7.021,0.001
-AKROTTPUGAYNBQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53246601;CHEMBL2426602;CHEMBL2426602,O=C1c2c(CCN1CC1CCOCC1)nc(COc1ccccc1)s2,AKROTTPUGAYNBQ,AKROTTPUGAYNBQ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O3S/c22-19-18-16(6-9-21(19)12-14-7-10-23-11-8-14)20-17(25-18)13-24-15-4-2-1-3-5-15/h1-5,14H,6-13H2","""AuxInfo=1/0/N:22,21,23,20,24,5,10,14,6,11,13,8,17,9,19,4,16,3,2,15,7,1,12,18,25/E:(2,3)(4,5)(7,8)(10,11)/rA:25OCCCCCNCCCCOCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;s9s13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:770257;CHEMBL2426830;CHEMBL2426830,PMID:23947773,2013.0,PubChemAID:770257;PMID:23947773;PMID:23947773,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  6.070;  6.070;  6.070,6.07,0.0,0.0,3.0,6.07,0.0
-AKRXCNKGZVHBKU_on_P18507_WT,Low,ChEMBL30,CHEMBL576667,c1ccc2c(c1)-c1ncnn1Cc1cncn-21,AKRXCNKGZVHBKU,AKRXCNKGZVHBKU-UHFFFAOYSA-N,"InChI=1S/C12H9N5/c1-2-4-11-10(3-1)12-14-7-15-17(12)6-9-5-13-8-16(9)11/h1-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,6,3,14,12,9,16,13,5,4,7,15,8,10,17,11/rA:17CCCCCCCNCNNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;s4s13s16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361;CHEMBL1040216,PMID:19726184,2009.0,PMID:19762240;PMID:19726184,2009,0,0,0,1,0,,=,  8.190;  8.190,8.19,0.0,0.0,2.0,8.19,0.0
-AKRXCNKGZVHBKU_on_P28472_WT,Low,ChEMBL30,CHEMBL576667,c1ccc2c(c1)-c1ncnn1Cc1cncn-21,AKRXCNKGZVHBKU,AKRXCNKGZVHBKU-UHFFFAOYSA-N,"InChI=1S/C12H9N5/c1-2-4-11-10(3-1)12-14-7-15-17(12)6-9-5-13-8-16(9)11/h1-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,6,3,14,12,9,16,13,5,4,7,15,8,10,17,11/rA:17CCCCCCCNCNNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;s4s13s16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216;CHEMBL1111361,PMID:19726184,2009.0,PMID:19726184;PMID:19762240,2009,0,0,0,1,0,,=,  8.190;  8.190,8.19,0.0,0.0,2.0,8.19,0.0
-AKRXCNKGZVHBKU_on_P31644_WT,Low,ChEMBL30,CHEMBL576667,c1ccc2c(c1)-c1ncnn1Cc1cncn-21,AKRXCNKGZVHBKU,AKRXCNKGZVHBKU-UHFFFAOYSA-N,"InChI=1S/C12H9N5/c1-2-4-11-10(3-1)12-14-7-15-17(12)6-9-5-13-8-16(9)11/h1-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,6,3,14,12,9,16,13,5,4,7,15,8,10,17,11/rA:17CCCCCCCNCNNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;s4s13s16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361;CHEMBL1040216,PMID:19726184,2009.0,PMID:19762240;PMID:19726184,2009,0,0,0,1,0,,=,  8.190;  8.190,8.19,0.0,0.0,2.0,8.19,0.0
-AKSJTVFPGONAJS_on_P41594_WT,High,ChEMBL30,CHEMBL3941385,Cc1cccc(-c2cc(C(C)Oc3nnc(-c4cnnc(O)c4)n3C)no2)c1,AKSJTVFPGONAJS,AKSJTVFPGONAJS-UHFFFAOYSA-N,"InChI=1S/C19H18N6O3/c1-11-5-4-6-13(7-11)16-9-15(24-28-16)12(2)27-19-23-22-18(25(19)3)14-8-17(26)21-20-10-14/h4-10,12H,1-3H3,(H,21,26)","""AuxInfo=1/1/N:1,11,25,4,3,5,28,23,8,18,2,10,6,17,9,7,21,16,13,19,20,15,14,26,24,22,12,27/rA:28CCCCCCCCCCCOCNNCCCNNCOCNCNOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s10;s12;d13;s14;d15;s16;d17;s18;d19;s20;s21;s17d21;s13s16;s24;d9;s7s26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-AKXCOQICNDOOTF_on_P41594_WT,Low,ChEMBL30,CHEMBL386408,C[N+](C)([O-])c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O,AKXCOQICNDOOTF,AKXCOQICNDOOTF-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,21,19,22,10,9,18,23,15,5,6,13,12,7,24,8,14,17,16,2,25,4,11/E:(1,2)(3,4)(5,6)(9,10)/CRV:22+1,24-1/rA:25CN+CO-CCCNCCSCCNCNNCCCCCCCO/rB:s1;s2;s2;s2;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s17s22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-AKXCOQICNDOOTF_on_Q13255_WT,High,ChEMBL30,CHEMBL386408,C[N+](C)([O-])c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O,AKXCOQICNDOOTF,AKXCOQICNDOOTF-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2S/c1-22(2,24)12-7-8-18-16-13(12)14-15(25-16)17(23)21(11-19-14)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,21,19,22,10,9,18,23,15,5,6,13,12,7,24,8,14,17,16,2,25,4,11/E:(1,2)(3,4)(5,6)(9,10)/CRV:22+1,24-1/rA:25CN+CO-CCCNCCSCCNCNNCCCCCCCO/rB:s1;s2;s2;s2;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s17s22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-AKZGCDNVTSOAIC_on_P41594_WT,Low,ChEMBL30,CHEMBL239604,O=C(Nc1cc(Cl)ccc1)c1cccc2c1nn[nH]2,AKZGCDNVTSOAIC,AKZGCDNVTSOAIC-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4O/c14-8-3-1-4-9(7-8)15-13(19)10-5-2-6-11-12(10)17-18-16-11/h1-7H,(H,15,19)(H,16,17,18)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,15,16,2,7,3,19,17,18,1/rA:19OCNCCCClCCCCCCCCCNNN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ALAHLCCSSRTDAZ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL326742,Oc1nc2c(ccc(C#CCN3CCC(O)(Cc4ccccc4)CC3)c2)[nH]1,ALAHLCCSSRTDAZ,ALAHLCCSSRTDAZ-UHFFFAOYSA-N,"InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)","""AuxInfo=1/1/N:21,20,22,10,19,23,9,7,6,14,24,11,13,25,26,17,8,18,5,4,2,15,27,3,12,1,16/E:(2,3)(5,6)(10,11)(13,14)/rA:27OCNCCCCCCCCNCCCOCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s15;s17;d18;s19;d20;s21;s18d22;s15;s12s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-ALBKMJDFBZVHAK_on_P14867_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822162,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  8.390;  8.390,8.39,0.0,0.0,2.0,8.39,0.0
-ALBKMJDFBZVHAK_on_P18507_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681480;CHEMBL823761;CHEMBL685337;CHEMBL822162;CHEMBL824294;CHEMBL682251;CHEMBL681248,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039,2000;2000;1998;1998;1998;1998;2000;2000,0,0,0,1,0,,=,  8.390;  8.350;  8.220;  8.350;  8.390;  8.380;  8.220;  8.380,8.335,0.068,0.026000000000000002,8.0,8.365,0.02
-ALBKMJDFBZVHAK_on_P28472_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL678329;CHEMBL824294;CHEMBL682251;CHEMBL681248;CHEMBL823761;CHEMBL685337;CHEMBL822162,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158,2000;2000;1998;2000;2000;1998;1998;1998,0,0,0,1,0,,=,  8.350;  8.390;  8.380;  8.220;  8.380;  8.220;  8.350;  8.390,8.335,0.068,0.026000000000000002,8.0,8.365,0.02
-ALBKMJDFBZVHAK_on_P31644_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.350;  8.350,8.35,0.0,0.0,2.0,8.35,0.0
-ALBKMJDFBZVHAK_on_P34903_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-ALBKMJDFBZVHAK_on_P47869_WT,Low,ChEMBL30,CHEMBL1518572,CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1,ALBKMJDFBZVHAK,ALBKMJDFBZVHAK-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3","""AuxInfo=1/0/N:1,10,2,25,24,26,23,27,28,29,18,13,21,8,22,19,17,7,16,12,11,6,4,14,15,5,9,3,20/E:(5,6)(7,8)/rA:29CCOCOCCCOCCCCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s7;d11;s12;s6d13;s12;s15;s11d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.380;  8.380,8.38,0.0,0.0,2.0,8.38,0.0
-ALDADKORIIAEHP_on_P41594_WT,High,ChEMBL30,CHEMBL2338601,Cc1cc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)ncc1,ALDADKORIIAEHP,ALDADKORIIAEHP-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O2/c1-13-8-9-22-18(10-13)20(26)24-17-7-3-6-16(12-17)23-19(25)14-4-2-5-15(21)11-14/h2,4-5,8-11,16-17H,3,6-7,12H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,21,10,22,20,11,9,26,25,3,17,23,2,16,18,12,8,4,14,5,19,24,13,7,15,6/rA:26CCCCCONCCCCCNCOCCCClCCCCNCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;s18;d18;s20;s16d21;s8s12;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-ALFNOINJYBDOSD_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3899239,Clc1cc(N(c2ncccn2)c2c3ncccc3n[nH]2)ccc1Oc1ncccn1,ALFNOINJYBDOSD,ALFNOINJYBDOSD-UHFFFAOYSA-N,"InChI=1S/C20H13ClN8O/c21-14-12-13(5-6-16(14)30-20-25-10-3-11-26-20)29(19-23-8-2-9-24-19)18-17-15(27-28-18)4-1-7-22-17/h1-12H,(H,27,28)","""AuxInfo=1/1/N:16,9,28,17,21,22,15,8,10,27,29,3,4,2,18,23,13,12,6,25,1,14,7,11,26,30,19,20,5,24/E:(8,9)(10,11)(23,24)(25,26)/rA:30ClCCCNCNCCCNCCNCCCCNNCCCOCNCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;d16;s13s17;d18;s12s19;d4;s21;s2d22;s23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-ALGXISBPUKJBRP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2208408;4384110;CHEMBL2208408,CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl,ALGXISBPUKJBRP,ALGXISBPUKJBRP-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)","""AuxInfo=1/1/N:1,13,12,14,19,18,11,15,20,17,6,10,21,16,7,22,9,5,8,3,4,2/E:(3,4)(7,8)(20,21)/CRV:22.6/rA:22CSOONCCONCCCCCCCCCCCCCl/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s5;d16;s17;d18;s19;s16d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2215796;PubChemAID:719497;CHEMBL2215796,PMID:23142615,2012.0,PMID:23142615;PubChemAID:719497;PMID:23142615,2012;2013;2012,0,1;0;1,0,0,0;1;0,,=,  5.860;  5.860;  5.860,5.86,0.0,0.0,3.0,5.86,0.0
-ALHVRPXIXOGVEB_on_P41594_WT,High,ChEMBL30,CHEMBL2151622,CC1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1,ALHVRPXIXOGVEB,ALHVRPXIXOGVEB-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O2/c1-12-4-3-7-22(9-12)18(24)23-10-14(11-23)17-20-16(21-25-17)13-5-2-6-15(19)8-13/h2,5-6,8,12,14H,3-4,7,9-11H2,1H3","""AuxInfo=1/0/N:1,17,4,3,16,18,5,21,25,10,24,2,15,11,19,14,12,7,20,13,22,6,9,8,23/E:(10,11)/rA:25CCCCCNCONCCCNCCCCCCClCNOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-ALIHXEMWTHYKGH_on_Q14833_WT,High,ChEMBL30,CHEMBL1698378,O=C(Nc1cc(Cl)c(N2C(=O)c3c(C2=O)c(Cl)ccc3)cc1)c1ncccc1,ALIHXEMWTHYKGH,ALIHXEMWTHYKGH-UHFFFAOYSA-N,"InChI=1S/C20H11Cl2N3O3/c21-13-5-3-4-12-17(13)20(28)25(19(12)27)16-8-7-11(10-14(16)22)24-18(26)15-6-1-2-9-23-15/h1-10H,(H,24,26)","""AuxInfo=1/1/N:27,26,19,20,18,28,22,21,25,5,4,12,16,6,23,8,13,2,10,14,17,7,24,3,9,1,11,15/rA:28OCNCCCClCNCOCCCOCClCCCCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;d12;s9s13;d14;s13;s16;d16;s18;s12d19;s8;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PubChemAID:2197,2009.0,PMID:21966889,2011,0,1,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ALMACYDZFBMGOR_on_Q14416_WT,High,ChEMBL30,CHEMBL108939,COc1c(Oc2ccc(N(Cc3cnccc3)S(=O)(=O)CC(F)(F)F)cc2)cccc1,ALMACYDZFBMGOR,ALMACYDZFBMGOR-UHFFFAOYSA-N,"InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3","""AuxInfo=1/0/N:1,30,29,16,17,31,28,8,26,7,27,15,13,11,21,12,9,6,3,4,22,23,24,25,14,10,19,20,2,5,18/E:(8,9)(10,11)(22,23,24)(27,28)/CRV:31.6/rA:31COCCOCCCCNCCCNCCCSOOCCFFFCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s10;d18;d18;s18;s21;s22;s22;s22;s9;s6d26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:12852748,2003.0,PMID:15501058,2004,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-ALOZKWJMOSIUDQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL322465,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OCC(F)(F)F)ccc1,ALOZKWJMOSIUDQ,ALOZKWJMOSIUDQ-UHFFFAOYSA-N,"InChI=1S/C16H14F6N2O3S/c17-15(18,19)10-27-14-5-1-4-13(7-14)24(9-12-3-2-6-23-8-12)28(25,26)11-16(20,21)22/h1-8H,9-11H2","""AuxInfo=1/0/N:27,15,16,28,26,14,18,12,10,21,4,11,17,19,22,5,23,24,25,6,7,8,13,9,1,3,20,2/E:(17,18,19)(20,21,22)(25,26)/CRV:28.6/rA:28OSOCCFFFNCCCNCCCCCCOCCFFFCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;s22;s22;s22;d19;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-ALQOZYARLZZBFA_on_P18505_WT,Low,ChEMBL30,CHEMBL4247210,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(NS(=O)(=O)c1ccccc1)c1ccccc1,ALQOZYARLZZBFA,ALQOZYARLZZBFA-UHFFFAOYSA-N,"InChI=1S/C25H27F2NO3S/c26-25(27,23(29)24-14-17-11-18(15-24)13-19(12-17)16-24)22(20-7-3-1-4-8-20)28-32(30,31)21-9-5-2-6-10-21/h1-10,17-19,22,28H,11-16H2","""AuxInfo=1/0/N:30,24,29,31,23,25,28,32,22,26,6,8,10,12,4,11,7,5,9,27,21,16,2,3,13,14,15,17,1,19,20,18/E:(3,4)(5,6)(7,8)(9,10)(11,12,13)(14,15,16)(17,18,19)(26,27)(30,31)/CRV:32.6/rA:32OCCCCCCCCCCCCFFCNSOOCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s17;d18;d18;s18;d21;s22;d23;s24;s21d25;s16;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ALQOZYARLZZBFA_on_P47870_WT,Low,ChEMBL30,CHEMBL4247210,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(NS(=O)(=O)c1ccccc1)c1ccccc1,ALQOZYARLZZBFA,ALQOZYARLZZBFA-UHFFFAOYSA-N,"InChI=1S/C25H27F2NO3S/c26-25(27,23(29)24-14-17-11-18(15-24)13-19(12-17)16-24)22(20-7-3-1-4-8-20)28-32(30,31)21-9-5-2-6-10-21/h1-10,17-19,22,28H,11-16H2","""AuxInfo=1/0/N:30,24,29,31,23,25,28,32,22,26,6,8,10,12,4,11,7,5,9,27,21,16,2,3,13,14,15,17,1,19,20,18/E:(3,4)(5,6)(7,8)(9,10)(11,12,13)(14,15,16)(17,18,19)(26,27)(30,31)/CRV:32.6/rA:32OCCCCCCCCCCCCFFCNSOOCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s17;d18;d18;s18;d21;s22;d23;s24;s21d25;s16;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ALSMBMGEQNFGHV_on_P18507_WT,Low,ChEMBL30,CHEMBL194513,c1ccc(-c2nncc(-c3cccc(-n4cnnc4)c3)c2)cc1,ALSMBMGEQNFGHV,ALSMBMGEQNFGHV-UHFFFAOYSA-N,InChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H,"""AuxInfo=1/0/N:1,2,23,12,3,22,11,13,20,21,8,16,19,4,10,9,14,5,7,17,18,6,15/E:(2,3)(5,6)(12,13)(20,21)/rA:23CCCCCNNCCCCCCCNCNNCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s5d9;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.390;  7.920,7.655,0.265,0.265,2.0,7.655,0.265
-ALSMBMGEQNFGHV_on_P28472_WT,Low,ChEMBL30,CHEMBL194513,c1ccc(-c2nncc(-c3cccc(-n4cnnc4)c3)c2)cc1,ALSMBMGEQNFGHV,ALSMBMGEQNFGHV-UHFFFAOYSA-N,InChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H,"""AuxInfo=1/0/N:1,2,23,12,3,22,11,13,20,21,8,16,19,4,10,9,14,5,7,17,18,6,15/E:(2,3)(5,6)(12,13)(20,21)/rA:23CCCCCNNCCCCCCCNCNNCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s5d9;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920;  7.390,7.655,0.265,0.265,2.0,7.655,0.265
-ALSMBMGEQNFGHV_on_P31644_WT,Low,ChEMBL30,CHEMBL194513,c1ccc(-c2nncc(-c3cccc(-n4cnnc4)c3)c2)cc1,ALSMBMGEQNFGHV,ALSMBMGEQNFGHV-UHFFFAOYSA-N,InChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H,"""AuxInfo=1/0/N:1,2,23,12,3,22,11,13,20,21,8,16,19,4,10,9,14,5,7,17,18,6,15/E:(2,3)(5,6)(12,13)(20,21)/rA:23CCCCCNNCCCCCCCNCNNCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s5d9;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ALSMBMGEQNFGHV_on_P34903_WT,Low,ChEMBL30,CHEMBL194513,c1ccc(-c2nncc(-c3cccc(-n4cnnc4)c3)c2)cc1,ALSMBMGEQNFGHV,ALSMBMGEQNFGHV-UHFFFAOYSA-N,InChI=1S/C18H13N5/c1-2-5-14(6-3-1)18-10-16(11-19-22-18)15-7-4-8-17(9-15)23-12-20-21-13-23/h1-13H,"""AuxInfo=1/0/N:1,2,23,12,3,22,11,13,20,21,8,16,19,4,10,9,14,5,7,17,18,6,15/E:(2,3)(5,6)(12,13)(20,21)/rA:23CCCCCNNCCCCCCCNCNNCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s5d9;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-ALTIRUHSTCYURC_on_P41594_WT,High,ChEMBL30,CHEMBL3122214,Cn1nc(-c2ncccc2OC(F)F)c2c1nc(OCc1ccccn1)cn2,ALTIRUHSTCYURC,ALTIRUHSTCYURC-UHFFFAOYSA-N,"InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3","""AuxInfo=1/0/N:1,23,24,8,22,9,25,7,27,20,21,10,18,5,4,15,16,12,13,14,26,6,28,17,3,2,19,11/E:(19,20)/rA:28CNNCCNCCCCOCFFCCNCOCCCCCCNCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s12;s4;s2d15;s16;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s18;s15d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-ALTJGNDYZQYJSC_on_O15303_WT,High,ChEMBL30,CHEMBL565502,Cc1c(-c2ccccc2)sc(N)c1C#N,ALTJGNDYZQYJSC,ALTJGNDYZQYJSC-UHFFFAOYSA-N,"InChI=1S/C12H10N2S/c1-8-10(7-13)12(14)15-11(8)9-5-3-2-4-6-9/h2-6H,14H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,14,2,4,13,3,11,15,12,10/E:(3,4)(5,6)/rA:15CCCCCCCCCSCNCCN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s2d11;s13;t14;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-ALVAVNDRCKJBPX_on_P31644_WT,High,ChEMBL30,CHEMBL3676533,Cc1c(COc2ccc(C(=O)OC(C)C)cn2)c(-c2ccccc2)no1,ALVAVNDRCKJBPX,ALVAVNDRCKJBPX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O4/c1-13(2)25-20(23)16-9-10-18(21-11-16)24-12-17-14(3)26-22-19(17)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3","""AuxInfo=1/0/N:14,15,1,22,21,23,20,24,8,7,16,4,13,2,19,9,3,6,18,10,17,25,11,5,12,26/E:(1,2)(5,6)(7,8)/rA:26CCCCOCCCCCOOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-ALVBRASOHCPGLK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907349,Cc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(C#N)c1,ALVBRASOHCPGLK,ALVBRASOHCPGLK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-11-6-7-13(12(8-11)10-19)15-9-17(18(20)22)21-16-5-3-2-4-14(15)16/h2-9H,1H3,(H2,20,22)","""AuxInfo=1/1/N:1,16,17,15,18,3,4,22,7,20,2,19,5,14,6,13,8,9,21,10,12,11/rA:22CCCCCCCCCNONCCCCCCCCNC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s13d17;s5;s19;t20;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ALXDNMSKBLJSRY_on_P41594_WT,Low,ChEMBL30,CHEMBL3979618,CC(Oc1ccccc1)c1nn2CCN(C(=O)c3ccc(F)cc3)Cc2c1,ALXDNMSKBLJSRY,ALXDNMSKBLJSRY-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15(27-19-5-3-2-4-6-19)20-13-18-14-24(11-12-25(18)23-20)21(26)16-7-9-17(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,19,24,20,23,14,13,27,25,2,18,21,26,4,10,16,22,11,15,12,17,3/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCOCCCCCCCNNCCNCOCCCCFCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s21;s18d23;s15;s12s25;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-AMADNKXMEDYTCS_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL607689;CHEMBL607689;24815439;CHEMBL607689,Cn1c(CN2CCC(c3ccccc3F)CC2)nc2c1cccc2,AMADNKXMEDYTCS,AMADNKXMEDYTCS-UHFFFAOYSA-N,"InChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3","""AuxInfo=1/0/N:1,11,12,23,22,10,13,24,21,7,16,6,17,4,8,9,14,19,20,3,15,18,2,5/E:(10,11)(12,13)/rA:24CNCCNCCCCCCCCCFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s14;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917;PubChemAID:453995;CHEMBL4722649,PMID:20005096,2010.0,PMID:20005096;PMID:20005096;PubChemAID:453995;PMID:31780081,2010;2010;2010;2020,0,1;1;0;1,0,0,0;0;1;0,,=,  6.900;  5.400;  6.900;  6.890,6.522,0.648,0.374,4.0,6.895,0.005
-AMAVJINBCBZRCC_on_P41594_WT,High,ChEMBL30,CHEMBL3605277,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,AMAVJINBCBZRCC,AMAVJINBCBZRCC-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O3/c21-14-6-4-13(5-7-14)20(25)24-9-8-17-18(11-24)27-19(23-17)12-26-16-3-1-2-15(22)10-16/h1-7,10H,8-9,11-12H2","""AuxInfo=1/0/N:25,24,26,4,9,5,8,12,11,21,15,18,3,6,22,20,13,14,17,2,7,23,27,10,1,19,16/E:(4,5)(6,7)/rA:27OCCCCCFCCNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;s22;d22;s24;s20d25;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.620;  6.620,6.62,0.0,0.0,2.0,6.62,0.0
-AMBQPEZXLSICEE_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1209746;49862698,CCOC(=O)C(=O)Nc1nc(C=Cc2ccccc2)ccn1,AMBQPEZXLSICEE,AMBQPEZXLSICEE-UHFFFAOYSA-N,"InChI=1S/C16H15N3O3/c1-2-22-15(21)14(20)19-16-17-11-10-13(18-16)9-8-12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18,19,20)","""AuxInfo=1/1/N:1,2,17,16,18,15,19,13,12,20,21,14,11,6,4,9,22,10,8,7,5,3/E:(4,5)(6,7)/rA:22CCOCOCONCNCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;w?12;s13;d14;s15;d16;s17;s14d18;d11;s20;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365;PubChemAID:494939,PMID:20638279,2010.0,PMID:20638279;PubChemAID:494939,2010;2011,0,1;0,0,0,0;1,,=,  5.300;  5.301,5.3,0.001,0.001,2.0,5.3,0.001
-AMBUFGVLRBBGHJ_on_Q14416_WT,High,ChEMBL30,CHEMBL2179324,FC(F)(F)c1c(N2Cc3c(cccc3)C2)ccn2c(CC3CC3)nnc12,AMBUFGVLRBBGHJ,AMBUFGVLRBBGHJ-UHFFFAOYSA-N,"InChI=1S/C19H17F3N4/c20-19(21,22)17-15(25-10-13-3-1-2-4-14(13)11-25)7-8-26-16(9-12-5-6-12)23-24-18(17)26/h1-4,7-8,12H,5-6,9-11H2","""AuxInfo=1/0/N:12,13,11,14,22,23,16,17,20,15,8,21,10,9,6,19,5,26,2,1,3,4,24,25,7,18/E:(1,2)(3,4)(5,6)(10,11)(13,14)(20,21,22)/rA:26FCFFCCNCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s6;d16;s17;s18;s19;s20;s21;s21s22;d19;s24;s5s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-AMCCIZZHSRTGNW_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684105,O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CC1CC1,AMCCIZZHSRTGNW,AMCCIZZHSRTGNW-UHFFFAOYSA-N,"InChI=1S/C21H19NO/c23-21-20-11-10-17(7-6-16-4-2-1-3-5-16)14-19(20)12-13-22(21)15-18-8-9-18/h1-5,10-11,14,18H,8-9,12-13,15H2","""AuxInfo=1/0/N:12,11,13,10,14,8,7,22,23,15,16,17,18,5,20,9,6,21,4,3,2,19,1/E:(2,3)(4,5)(8,9)/rA:23OCCCCCCCCCCCCCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;s17;s2s18;s19;s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-AMCMPOSHPVAYCI_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771682,O=C(C1CCCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,AMCMPOSHPVAYCI,AMCMPOSHPVAYCI-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2/c20-15-9-5-8-14(12-15)17-21-18(25-22-17)16-10-3-4-11-23(16)19(24)13-6-1-2-7-13/h5,8-9,12-13,16H,1-4,6-7,10-11H2","""AuxInfo=1/0/N:5,6,11,10,19,4,7,18,20,12,9,23,3,17,21,13,16,14,2,22,15,24,8,1,25/E:(1,2)(6,7)/rA:25OCCCCCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;s11;s8s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772555,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-AMCWZTJNWRMWDN_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159498,N=C(NCc1cc(Cl)ccc1)c1ccccc1,AMCWZTJNWRMWDN,AMCWZTJNWRMWDN-UHFFFAOYSA-N,"InChI=1S/C14H13ClN2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,17)","""AuxInfo=1/1/N:15,14,16,10,11,13,17,9,6,4,5,12,7,2,8,1,3/E:(2,3)(6,7)/rA:17NCNCCCCClCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-AMDFLGLICMQTET_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628092,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]nn1,AMDFLGLICMQTET,AMDFLGLICMQTET-UHFFFAOYSA-N,"InChI=1S/C17H10ClN5O3/c18-12-7-9(20-15(24)13-8-19-22-21-13)5-6-14(12)23-16(25)10-3-1-2-4-11(10)17(23)26/h1-8H,(H,20,24)(H,19,21,22)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,4,12,11,19,22,7,2,17,9,20,24,3,26,25,8,1,18,10/E:(1,2)(3,4)(10,11)(16,17)(25,26)/rA:26OCNCCCCNCOCCCCCCCOCClCCCNNN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-AMFDWAQBEWPZKV_on_P41594_WT,High,ChEMBL30,CHEMBL2153782,Cc1nc(NC(=O)c2nc(C)cc3c2[nH]cc3)ccc1,AMFDWAQBEWPZKV,AMFDWAQBEWPZKV-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-9-4-3-5-12(17-9)19-15(20)14-13-11(6-7-16-13)8-10(2)18-14/h3-8,16H,1-2H3,(H,17,19,20)","""AuxInfo=1/1/N:1,11,19,20,18,17,16,12,2,10,13,4,14,8,6,15,3,9,5,7/rA:20CCNCNCOCNCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;s14;s15;s13d16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156749;CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,0;1,0,0,1;0,0,,=,  7.370;  7.890,7.63,0.26,0.26,2.0,7.63,0.26
-AMKOCUCZZIHADS_on_P41594_WT,High,ChEMBL30,CHEMBL3603928,N#Cc1cccc(-c2cc(-c3ncncc3)ncn2)c1,AMKOCUCZZIHADS,AMKOCUCZZIHADS-UHFFFAOYSA-N,"InChI=1S/C15H9N5/c16-8-11-2-1-3-12(6-11)14-7-15(20-10-19-14)13-4-5-17-9-18-13/h1-7,9-10H","""AuxInfo=1/0/N:5,4,6,16,15,20,9,2,13,18,3,7,11,8,10,1,14,12,19,17/rA:20NCCCCCCCCCCNCNCCNCNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  7.500;  8.300,7.9,0.4,0.4,2.0,7.9,0.4
-AMKXJSONOHLWKD_on_Q05586_WT,Low,ChEMBL30,CHEMBL4276754,CN(CCCc1ccccc1)C1CCc2c(CC1)nccc2,AMKXJSONOHLWKD,AMKXJSONOHLWKD-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-22(16-6-9-17-7-3-2-4-8-17)19-12-11-18-10-5-15-21-20(18)14-13-19/h2-5,7-8,10,15,19H,6,9,11-14,16H2,1H3","""AuxInfo=1/0/N:1,9,8,10,21,4,7,11,5,22,14,13,18,17,20,3,6,15,12,16,19,2/E:(3,4)(7,8)/rA:22CNCCCCCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;d15;s16;s12s17;s16;d19;s20;s15d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AMKXJSONOHLWKD_on_Q13224_WT,Low,ChEMBL30,CHEMBL4276754,CN(CCCc1ccccc1)C1CCc2c(CC1)nccc2,AMKXJSONOHLWKD,AMKXJSONOHLWKD-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-22(16-6-9-17-7-3-2-4-8-17)19-12-11-18-10-5-15-21-20(18)14-13-19/h2-5,7-8,10,15,19H,6,9,11-14,16H2,1H3","""AuxInfo=1/0/N:1,9,8,10,21,4,7,11,5,22,14,13,18,17,20,3,6,15,12,16,19,2/E:(3,4)(7,8)/rA:22CNCCCCCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;d15;s16;s12s17;s16;d19;s20;s15d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-AMMFQNCXSHAZJB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3986822,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1,AMMFQNCXSHAZJB,AMMFQNCXSHAZJB-UHFFFAOYSA-N,"InChI=1S/C17H11ClF3N3O3S2/c18-11-6-2-1-5-10(11)9-29(26,27)15-13(17(19,20)21)23-16(28-15)24-14(25)12-7-3-4-8-22-12/h1-8H,9H2,(H,23,24,25)","""AuxInfo=1/1/N:18,19,26,27,17,20,25,28,15,16,21,24,6,2,11,4,7,22,8,9,10,29,5,3,1,13,14,23,12/E:(19,20,21)(26,27)/CRV:29.6/rA:29OCNCNCCFFFCSOOCCCCCCCClSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;d18;s19;s16d20;s21;s4s11;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-AMQMWUAQWGQTGJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676489,Cc1c(COc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2)c(-c2ccccc2)no1,AMQMWUAQWGQTGJ,AMQMWUAQWGQTGJ-UHFFFAOYSA-N,"InChI=1S/C29H30N4O3/c1-21-26(28(32-36-21)23-10-6-3-7-11-23)20-35-27-13-12-24(18-30-27)29(34)31-25-14-16-33(17-15-25)19-22-8-4-2-5-9-22/h2-13,18,25H,14-17,19-20H2,1H3,(H,31,34)","""AuxInfo=1/1/N:1,21,32,20,22,31,33,19,23,30,34,8,7,14,25,15,24,26,17,4,2,18,29,9,13,3,6,28,10,27,12,35,16,11,5,36/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:36CCCCOCCCCCONCCCNCCCCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s9;s6d26;s3;s28;d29;s30;d31;s32;s29d33;d28;s2s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-AMWBCTJDWPRVAG_on_P41594_WT,High,ChEMBL30,CHEMBL3605300,CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2c1nc(COc1ccccc1)o2,AMWBCTJDWPRVAG,AMWBCTJDWPRVAG-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O3/c1-22(2)14-25(21(26)15-8-10-16(23)11-9-15)12-18-20(22)24-19(28-18)13-27-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,25,24,26,23,27,9,14,10,13,15,20,4,8,11,22,16,19,17,6,2,12,18,5,7,21,28/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CCCCNCOCCCCFCCCCCNCCOCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s2d16;s17;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.760;  6.770,6.765,0.005,0.005,2.0,6.765,0.005
-AMXQQNOPZVBITB_on_P41594_WT,High,ChEMBL30,CHEMBL207097,Cc1cc(N(C)c2cncnc2)cc(OCc2cccc(Cl)c2)n1,AMXQQNOPZVBITB,AMXQQNOPZVBITB-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-13-6-16(23(2)17-9-20-12-21-10-17)8-18(22-13)24-11-14-4-3-5-15(19)7-14/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,18,20,3,23,13,8,12,16,10,2,17,21,4,7,14,22,9,11,24,5,15/E:(9,10)(20,21)/rA:24CCCCNCCCNCNCCCOCCCCCCClCN/rB:s1;d2;s3;s4;s5;s5;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-ANBBLLOZDHXSOE_on_Q14833_WT,High,ChEMBL30,CHEMBL3357575,Cc1c2C(=O)N(c3ccc(NC(=O)c4ncccc4)cc3Cl)C(=O)c2ccc1,ANBBLLOZDHXSOE,ANBBLLOZDHXSOE-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)","""AuxInfo=1/1/N:1,18,17,27,28,26,19,9,8,16,20,2,10,25,21,14,7,3,12,23,4,22,15,11,6,13,24,5/rA:28CCCCONCCCCNCOCNCCCCCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610660;CHEMBL3385816,PMID:25330258,2014.0,PMID:26231155;PMID:25330258,2015;2014,0;1,1;0,0,0,0,,=,  7.360;  7.960,7.66,0.3,0.3,2.0,7.66,0.3
-ANCWBXJZUCHVHL_on_P14867_WT,Low,ChEMBL30,CHEMBL79325,NC1=NC(CC(=O)O)CS1,ANCWBXJZUCHVHL,ANCWBXJZUCHVHL-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;w?2;s3;s4;s5;d6;s6;s4;s2s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4398029,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  5.730;  5.750,5.74,0.01,0.01,2.0,5.74,0.01
-ANCWBXJZUCHVHL_on_P18507_WT,Low,ChEMBL30,CHEMBL79325,NC1=NC(CC(=O)O)CS1,ANCWBXJZUCHVHL,ANCWBXJZUCHVHL-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;w?2;s3;s4;s5;d6;s6;s4;s2s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4398035;CHEMBL4398033;CHEMBL4398029;CHEMBL4398033;CHEMBL4398029;CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  6.660;  5.880;  5.750;  5.890;  5.730;  6.660,6.095,0.40399999999999997,0.18100000000000002,6.0,5.885,0.145
-ANCWBXJZUCHVHL_on_P31644_WT,Low,ChEMBL30,CHEMBL79325,NC1=NC(CC(=O)O)CS1,ANCWBXJZUCHVHL,ANCWBXJZUCHVHL-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;w?2;s3;s4;s5;d6;s6;s4;s2s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  6.660;  6.660,6.66,0.0,0.0,2.0,6.66,0.0
-ANCWBXJZUCHVHL_on_P47870_WT,Low,ChEMBL30,CHEMBL79325,NC1=NC(CC(=O)O)CS1,ANCWBXJZUCHVHL,ANCWBXJZUCHVHL-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;w?2;s3;s4;s5;d6;s6;s4;s2s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4398033;CHEMBL4398029;CHEMBL4398035;CHEMBL4398029;CHEMBL4398035;CHEMBL4398033,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  5.890;  5.730;  6.660;  5.750;  6.660;  5.880,6.095,0.40399999999999997,0.18100000000000002,6.0,5.885,0.145
-ANCWBXJZUCHVHL_on_P48169_WT,Low,ChEMBL30,CHEMBL79325,NC1=NC(CC(=O)O)CS1,ANCWBXJZUCHVHL,ANCWBXJZUCHVHL-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;w?2;s3;s4;s5;d6;s6;s4;s2s9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4398033,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  5.880;  5.890,5.885,0.005,0.005,2.0,5.885,0.005
-ANIACALCXMZPED_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003372;CHEMBL1909433,O=C(Nc1ccc(NC(=O)c2cncs2)c(Cl)c1)c1ccccn1,ANIACALCXMZPED,ANIACALCXMZPED-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2S/c17-11-7-10(20-15(22)13-3-1-2-6-19-13)4-5-12(11)21-16(23)14-8-18-9-24-14/h1-9H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:21,22,20,5,6,23,18,12,14,4,16,7,19,11,2,9,17,13,24,3,8,1,10,15/rA:24OCNCCCCNCOCCNCSCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;s4d16;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  5.662;  5.660,5.6610000000000005,0.001,0.001,2.0,5.6610000000000005,0.001
-ANJUXADOTBHXPQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771692,O=C(c1c(F)cc(F)cc1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,ANJUXADOTBHXPQ,ANJUXADOTBHXPQ-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O2/c21-13-5-3-4-12(10-13)18-24-19(28-25-18)17-6-1-2-9-26(17)20(27)15-8-7-14(22)11-16(15)23/h3-5,7-8,10-11,17H,1-2,6,9H2","""AuxInfo=1/0/N:14,13,22,21,23,15,9,10,12,26,6,20,24,7,3,4,16,19,17,2,25,8,5,18,27,11,1,28/rA:28OCCCFCCFCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;s4;d6;s7;s7;s3d9;s2;s11;s12;s13;s14;s11s15;s16;d17;s18;s19;d20;s21;d22;s23;s24;s20d24;d19;s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ANKFABXSPKCYOQ_on_P14867_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-ANKFABXSPKCYOQ_on_P18507_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.170;  7.600;  6.820;  8.190,7.445,0.511,0.295,4.0,7.385,0.39
-ANKFABXSPKCYOQ_on_P28472_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.820;  7.170;  8.190;  7.600,7.445,0.511,0.295,4.0,7.385,0.39
-ANKFABXSPKCYOQ_on_P31644_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-ANKFABXSPKCYOQ_on_P34903_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ANKFABXSPKCYOQ_on_P47869_WT,Low,ChEMBL30,CHEMBL362421,c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1,ANKFABXSPKCYOQ,ANKFABXSPKCYOQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-18(7-3-1)21-25-26-22-19-16-8-10-17(11-9-16)20(19)23(27-28(21)22)29-14-15-5-4-12-24-13-15/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:1,2,29,18,19,3,28,24,26,23,27,17,15,13,14,25,22,4,9,10,5,8,11,16,6,7,20,21,12/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-ANKHAIGVTCEXMT_on_P41594_WT,Medium,ChEMBL30,CHEMBL4113135;CHEMBL4114594;CHEMBL3924488;CHEMBL4113135,CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCCC21,ANKHAIGVTCEXMT,ANKHAIGVTCEXMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,23,24,14,13,15,22,25,11,10,8,7,18,19,12,9,16,21,6,26,5,3,17,20,2,4/rA:26CNCOCCCCCCCCCCCCFCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s22;s23;s24;s2s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.160;  6.850;  7.170;  7.050,7.057,0.129,0.07400000000000001,4.0,7.105,0.06
-ANLQEDUVRYARCX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786967,O=C(Nc1cc(Cl)c(N2Cc3c(cccc3)C2=O)cc1)c1c(Cl)cccn1,ANLQEDUVRYARCX,ANLQEDUVRYARCX-UHFFFAOYSA-N,"InChI=1S/C20H13Cl2N3O2/c21-15-6-3-9-23-18(15)19(26)24-13-7-8-17(16(22)10-13)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11H2,(H,24,26)","""AuxInfo=1/1/N:15,14,25,16,13,24,20,19,26,5,10,11,4,12,22,6,8,21,2,17,23,7,27,3,9,1,18/rA:27OCNCCCClCNCCCCCCCCOCCCCClCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;d17;s8;s4d19;s2;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-ANTSCNMPPGJYLG_on_P14867_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036;CHEMBL829842;CHEMBL677037;CHEMBL681637,PMID:11960500,2002.0,PMID:15125950;PMID:15537339;PMID:15084116;PMID:11960500,2004;2004;2004;2002,0,0,0,1,0,,=,  6.220;  6.220;  6.110;  6.250,6.2,0.053,0.031,4.0,6.22,0.015
-ANTSCNMPPGJYLG_on_P18507_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681483;CHEMBL681637;CHEMBL681249;CHEMBL682711;CHEMBL680671;CHEMBL677036;CHEMBL680434;CHEMBL677037;CHEMBL680435;CHEMBL682712;CHEMBL829844;CHEMBL829845;CHEMBL829843;CHEMBL682082;CHEMBL829842;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500;PMID:11960500;PMID:11960500;PMID:15125950;PMID:15125950;PMID:15125950;PMID:15125950;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15537339;PMID:15537339;PMID:15537339;PMID:15084116;PMID:15537339;PMID:11960500,2002;2002;2002;2004;2004;2004;2004;2004;2004;2004;2004;2004;2004;2004;2004;2002,0,0,0,1,0,,=,  6.500;  6.250;  6.340;  6.410;  6.430;  6.220;  6.330;  6.110;  6.130;  6.340;  6.330;  6.430;  6.410;  6.280;  6.220;  6.560,6.331,0.122,0.031,16.0,6.335,0.09
-ANTSCNMPPGJYLG_on_P28472_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680671;CHEMBL682711;CHEMBL677036;CHEMBL681637;CHEMBL680434;CHEMBL677037;CHEMBL682712;CHEMBL681249;CHEMBL682082;CHEMBL829842;CHEMBL682252;CHEMBL681483;CHEMBL829844;CHEMBL829843;CHEMBL680435;CHEMBL829845,PMID:11960500,2002.0,PMID:15125950;PMID:15125950;PMID:15125950;PMID:11960500;PMID:15125950;PMID:15084116;PMID:15084116;PMID:11960500;PMID:15084116;PMID:15537339;PMID:11960500;PMID:11960500;PMID:15537339;PMID:15537339;PMID:15084116;PMID:15537339,2004;2004;2004;2002;2004;2004;2004;2002;2004;2004;2002;2002;2004;2004;2004;2004,0,0,0,1,0,,=,  6.430;  6.410;  6.220;  6.250;  6.330;  6.110;  6.340;  6.340;  6.280;  6.220;  6.560;  6.500;  6.330;  6.410;  6.130;  6.430,6.331,0.122,0.031,16.0,6.335,0.09
-ANTSCNMPPGJYLG_on_P31644_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680671;CHEMBL681483;CHEMBL829845;CHEMBL682082,PMID:11960500,2002.0,PMID:15125950;PMID:11960500;PMID:15537339;PMID:15084116,2004;2002;2004;2004,0,0,0,1,0,,=,  6.430;  6.500;  6.430;  6.280,6.41,0.08,0.046,4.0,6.43,0.035
-ANTSCNMPPGJYLG_on_P34903_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434;CHEMBL829844;CHEMBL682252;CHEMBL680435,PMID:11960500,2002.0,PMID:15125950;PMID:15537339;PMID:11960500;PMID:15084116,2004;2004;2002;2004,0,0,0,1,0,,=,  6.330;  6.330;  6.560;  6.130,6.337000000000001,0.152,0.08800000000000001,4.0,6.33,0.1
-ANTSCNMPPGJYLG_on_P47869_WT,Low,ChEMBL30,CHEMBL451,CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1,ANTSCNMPPGJYLG,ANTSCNMPPGJYLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,16,15,17,14,18,10,11,7,21,13,8,6,5,3,12,9,2,4,19,20/E:(3,4)(5,6)/CRV:20.5/rA:21CNCNCCCCClCCCCCCCCCN+O-C/rB:s1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s6;s12;d13;s14;d15;s16;s13d17;w?12;s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682712;CHEMBL829843;CHEMBL681249;CHEMBL682711,PMID:11960500,2002.0,PMID:15084116;PMID:15537339;PMID:11960500;PMID:15125950,2004;2004;2002;2004,0,0,0,1,0,,=,  6.340;  6.410;  6.340;  6.410,6.375,0.035,0.02,4.0,6.375,0.035
-ANUWUXXDMUXDKK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3984622,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(F)(F)F)c3)n2)cc(C)n1,ANUWUXXDMUXDKK,ANUWUXXDMUXDKK-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(10-14(2)27-13)20-18-5-7-30-8-6-29(18)21(28-20)15-3-4-17(23)19(11-15)31-12-22(24,25)26/h3-4,9-11H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,7,11,8,10,3,28,26,21,2,29,14,4,17,6,19,5,13,22,18,23,24,25,31,27,12,9,20/E:(1,2)(9,10)(13,14)(24,25,26)/rA:31CCCCCCCCOCCNCCCCCFCOCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s22;s22;s14d19;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-ANXSGXNESLKHJQ_on_P14867_WT,Low,ChEMBL30,CHEMBL1093500,On1cc(C2CCNCC2)c(-c2ccccc2)n1,ANXSGXNESLKHJQ,ANXSGXNESLKHJQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:15,14,16,13,17,6,10,7,9,3,5,12,4,11,8,18,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.730,5.725,0.005,0.005,2.0,5.725,0.005
-ANXSGXNESLKHJQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1093500,On1cc(C2CCNCC2)c(-c2ccccc2)n1,ANXSGXNESLKHJQ,ANXSGXNESLKHJQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:15,14,16,13,17,6,10,7,9,3,5,12,4,11,8,18,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.730,5.725,0.005,0.005,2.0,5.725,0.005
-ANXSGXNESLKHJQ_on_P47870_WT,Low,ChEMBL30,CHEMBL1093500,On1cc(C2CCNCC2)c(-c2ccccc2)n1,ANXSGXNESLKHJQ,ANXSGXNESLKHJQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:15,14,16,13,17,6,10,7,9,3,5,12,4,11,8,18,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.730,5.725,0.005,0.005,2.0,5.725,0.005
-AOAATWDCZOERLJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606067,COc1cc2c(cc1)n(CCCCCCCCCn1c3ccc(OC)cc3c3c1cc[n+](C)c3)c1c2c[n+](C)cc1,AOAATWDCZOERLJ,AOAATWDCZOERLJ-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-17,20-25H,5-11,18-19H2,1-4H3/q+2","""AuxInfo=1/0/N:33,39,25,1,14,15,13,16,12,17,11,22,8,21,7,30,41,18,10,31,40,26,4,34,37,23,3,27,5,28,36,20,6,29,35,32,38,19,9,24,2/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41COCCCCCCNCCCCCCCCCNCCCCOCCCCCCCN+CCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s24;s23;s20d26;s27;s19d28;s29;d30;s31;s32;s28d32;s9;s5d35;s36;d37;s38;s38;s35d40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608120;CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.620;  5.130,5.375,0.245,0.245,2.0,5.375,0.245
-AOAATWDCZOERLJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606067,COc1cc2c(cc1)n(CCCCCCCCCn1c3ccc(OC)cc3c3c1cc[n+](C)c3)c1c2c[n+](C)cc1,AOAATWDCZOERLJ,AOAATWDCZOERLJ-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-17,20-25H,5-11,18-19H2,1-4H3/q+2","""AuxInfo=1/0/N:33,39,25,1,14,15,13,16,12,17,11,22,8,21,7,30,41,18,10,31,40,26,4,34,37,23,3,27,5,28,36,20,6,29,35,32,38,19,9,24,2/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41COCCCCCCNCCCCCCCCCNCCCCOCCCCCCCN+CCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s24;s23;s20d26;s27;s19d28;s29;d30;s31;s32;s28d32;s9;s5d35;s36;d37;s38;s38;s35d40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-AOAATWDCZOERLJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606067,COc1cc2c(cc1)n(CCCCCCCCCn1c3ccc(OC)cc3c3c1cc[n+](C)c3)c1c2c[n+](C)cc1,AOAATWDCZOERLJ,AOAATWDCZOERLJ-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-17,20-25H,5-11,18-19H2,1-4H3/q+2","""AuxInfo=1/0/N:33,39,25,1,14,15,13,16,12,17,11,22,8,21,7,30,41,18,10,31,40,26,4,34,37,23,3,27,5,28,36,20,6,29,35,32,38,19,9,24,2/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41COCCCCCCNCCCCCCCCCNCCCCOCCCCCCCN+CCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s24;s23;s20d26;s27;s19d28;s29;d30;s31;s32;s28d32;s9;s5d35;s36;d37;s38;s38;s35d40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-AOAOBNWIOKLMKL_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209663,N#Cc1cc(C=Cc2nc(N)ncc2)ccc1,AOAOBNWIOKLMKL,AOAOBNWIOKLMKL-UHFFFAOYSA-N,"InChI=1S/C13H10N4/c14-9-11-3-1-2-10(8-11)4-5-12-6-7-16-13(15)17-12/h1-8H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,6,7,14,13,4,2,5,3,8,10,1,11,12,9/rA:17NCCCCCCCNCNNCCCCC/rB:t1;s2;d3;s4;s5;w?6;s7;d8;s9;s10;d10;s12;s8d13;d5;s15;s3d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-AOFDBBDIASJRCC_on_P41594_WT,Low,ChEMBL30,CHEMBL239597,CC(=O)Nc1c(C(=O)Nc2cc(Cl)ccc2)cccc1,AOFDBBDIASJRCC,AOFDBBDIASJRCC-UHFFFAOYSA-N,"InChI=1S/C15H13ClN2O2/c1-10(19)17-14-8-3-2-7-13(14)15(20)18-12-6-4-5-11(16)9-12/h2-9H,1H3,(H,17,19)(H,18,20)","""AuxInfo=1/1/N:1,18,19,15,14,16,17,20,11,2,12,10,6,5,7,13,4,9,3,8/rA:20CCONCCCONCCCClCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s6;d17;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOFDTVQSPBZZNQ_on_Q14833_WT,High,ChEMBL30,CHEMBL1672256,O=C(Nc1ccc2c(c1)ccn2C(=O)c1ccc(F)cc1Cl)c1ncccc1,AOFDTVQSPBZZNQ,AOFDTVQSPBZZNQ-UHFFFAOYSA-N,"InChI=1S/C21H13ClFN3O2/c22-17-12-14(23)4-6-16(17)21(28)26-10-8-13-11-15(5-7-19(13)26)25-20(27)18-3-1-2-9-24-18/h1-12H,(H,25,27)","""AuxInfo=1/1/N:27,26,28,17,5,16,6,10,25,11,9,20,8,18,4,15,21,23,7,2,13,22,19,24,3,12,1,14/rA:28OCNCCCCCCCCNCOCCCCFCCClCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s7s11;s12;d13;s13;d15;s16;d17;s18;s18;s15d20;s21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-AOHAYPVSFSBLRJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634415,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2)occ1,AOHAYPVSFSBLRJ,AOHAYPVSFSBLRJ-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-4-3-5-16-17(12)21(26)23(20(16)25)15-8-6-14(7-9-15)22-19(24)18-13(2)10-11-27-18/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,8,24,9,23,27,26,18,2,7,10,14,15,3,4,12,16,6,11,5,13,17,25/E:(6,7)(8,9)/rA:27CCCCONCCCCNCOCCCOCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.790;  7.800,7.795,0.005,0.005,2.0,7.795,0.005
-AOHAYPVSFSBLRJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634415,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2)occ1,AOHAYPVSFSBLRJ,AOHAYPVSFSBLRJ-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-4-3-5-16-17(12)21(26)23(20(16)25)15-8-6-14(7-9-15)22-19(24)18-13(2)10-11-27-18/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,8,24,9,23,27,26,18,2,7,10,14,15,3,4,12,16,6,11,5,13,17,25/E:(6,7)(8,9)/rA:27CCCCONCCCCNCOCCCOCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-AOKFYLVAJDLEJH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112889,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)c1,AOKFYLVAJDLEJH,AOKFYLVAJDLEJH-UHFFFAOYSA-N,"InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-21-5-6-21)25-28-24(19-11-16(2)27-20(12-19)13-26)22-8-9-30-17(3)14-29(22)25/h4,7,10-12,17,21H,5-6,8-9,13-14H2,1-3H3","""AuxInfo=1/0/N:28,1,15,20,25,26,21,11,12,29,31,7,5,16,27,2,14,19,8,4,24,10,22,9,18,6,3,30,17,13,23/E:(5,6)/rA:31CCNCCFCCCCCCOCCCNCCCCCOCCCCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24s25;s22;s27;s19d27;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-AONHSWKVTDQGAU_on_Q14416_WT,High,ChEMBL30,CHEMBL4073628,FC(F)(F)c1c(-c2cc(Cl)c(NC3CC3)cc2)ccn2c(CC3CC3)nnc12,AONHSWKVTDQGAU,AONHSWKVTDQGAU-UHFFFAOYSA-N,"InChI=1S/C20H18ClF3N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2","""AuxInfo=1/0/N:24,25,17,14,15,16,18,19,22,8,23,7,13,6,9,11,21,5,28,2,10,1,3,4,12,26,27,20/E:(1,2)(4,5)(22,23,24)/rA:28FCFFCCCCCClCNCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d9;s11;s12;s13;s13s14;s11;s7d16;s6;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s5s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040510;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;0;1,0;1;0,0,,=,  8.110;  8.650;  8.920,8.56,0.337,0.23800000000000002,3.0,8.65,0.27
-AOOAPFRKSGWOER_on_O00222_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2426819,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOAPFRKSGWOER_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2426616;CHEMBL2426616;67246999,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PMID:23947773;PubChemAID:770257,2013;2013;2014,0,1;1;0,0,0,0;0;1,,=,  5.920;  5.920;  5.923,5.921,0.001,0.001,3.0,5.92,0.0
-AOOAPFRKSGWOER_on_Q13255_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2426825,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOAPFRKSGWOER_on_Q14416_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2426824,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOAPFRKSGWOER_on_Q14831_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2426820,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOAPFRKSGWOER_on_Q14832_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2426822,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOAPFRKSGWOER_on_Q14833_WT,Low,ChEMBL30,CHEMBL2426616,CN1CCc2c(sc(COc3ccccc3)n2)C1=O,AOOAPFRKSGWOER,AOOAPFRKSGWOER-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,9,11,5,8,6,18,17,2,19,10,7/E:(3,4)(5,6)/rA:19CNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2426823,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AOOUGBGXTABIRZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3913806,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1,AOOUGBGXTABIRZ,AOOUGBGXTABIRZ-UHFFFAOYSA-N,"InChI=1S/C22H19F4N3O/c23-15-6-4-14(5-7-15)17-11-19(21(27)30)28-18-10-13(3-8-16(17)18)12-29-9-1-2-20(29)22(24,25)26/h3-8,10-11,20H,1-2,9,12H2,(H2,27,30)","""AuxInfo=1/1/N:21,22,16,8,13,9,12,15,20,28,5,18,17,7,10,14,6,29,4,23,2,24,11,25,26,27,1,30,19,3/E:(4,5)(6,7)(24,25,26)/rA:30NCOCCCCCCCFCCCCCCCNCCCCCFFFCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s19s22;s23;s24;s24;s24;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-AOQOJIJLIFNFFB_on_P14867_WT,High,ExCAPE-DB,15951053,CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)ncn-21,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,38,12,29,2,37,20,4,35,5,34,19,21,8,39,13,27,44,41,3,36,7,32,6,33,14,26,15,25,9,30,16,23,43,42,11,28,45,40,10,31,17,24,18,22/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCCONCCCCCOOCCCOCOCCCNCCOCCCCCCCCNCNNCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s20;s21;s22;d23;s23;d25;s26;s27;s28;s28;d30;s30;d32;s33;d34;s35;s36;s37;s32d36;s26s33;s40;s25d41;s15;d43;s6s14s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,PubChemAID:349341,PMID:18790643,2008.0,PubChemAID:349341,2010,0,0,0,0,1,,=,  5.732,5.732,0.0,0.0,1.0,5.732,0.0
-AOQOJIJLIFNFFB_on_P18507_WT,Low,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999414;CHEMBL999410;CHEMBL999409;CHEMBL999413,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.300;  5.330;  5.730;  7.000,5.84,0.691,0.39899999999999997,4.0,5.53,0.215
-AOQOJIJLIFNFFB_on_P28472_WT,Low,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999413;CHEMBL999414;CHEMBL999409;CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.000;  5.300;  5.730;  5.330,5.84,0.691,0.39899999999999997,4.0,5.53,0.215
-AOQOJIJLIFNFFB_on_P31644_WT,Low,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL999413,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-AOQOJIJLIFNFFB_on_P34903_WT,High,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-AOQOJIJLIFNFFB_on_P47869_WT,Low,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-AOQOJIJLIFNFFB_on_Q16445_WT,Low,ChEMBL30,CHEMBL443736,CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O,AOQOJIJLIFNFFB,AOQOJIJLIFNFFB-UHFFFAOYSA-N,"InChI=1S/C33H34N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h8-11,14-15,18-19H,5-7,12-13,16-17H2,1-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;s34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-AOUUMBPBMVOBSP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,1489963;CHEMBL1630057,Cc1c(C(C)OC(=O)Nc2ccccc2)sc2ncnn12,AOUUMBPBMVOBSP,AOUUMBPBMVOBSP-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,19,2,4,10,3,17,7,18,20,9,21,8,6,16/E:(4,5)(6,7)/rA:21CCCCCOCONCCCCCCSCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:546886;CHEMBL1639082,PMID:21051228,2010.0,PubChemAID:546886;PMID:21051228,2011;2010,0;1,0,0,0,1;0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-AOXJCLIMCPUIMY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3916497,CC1CN(C(=O)c2cc(F)cc(C#N)c2)Cc2cc(COc3ccccc3)nn21,AOXJCLIMCPUIMY,AOXJCLIMCPUIMY-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O2/c1-15-12-26(22(28)17-7-16(11-24)8-18(23)9-17)13-20-10-19(25-27(15)20)14-29-21-5-3-2-4-6-21/h2-10,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,25,24,26,23,27,15,11,8,18,13,3,16,20,2,12,7,9,19,17,22,5,10,14,28,4,29,6,21/E:(3,4)(5,6)/rA:29CCCNCOCCCFCCCNCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;d9;s11;s12;t13;s7d12;s4;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-AOZALWRGTMILIK_on_P14867_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-AOZALWRGTMILIK_on_P18507_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680672;CHEMBL680434;CHEMBL682711;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.300;  8.350;  8.270;  8.640,8.64,0.405,0.23399999999999999,4.0,8.495,0.185
-AOZALWRGTMILIK_on_P28472_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672;CHEMBL680434;CHEMBL682711;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.300;  8.350;  8.270;  8.640,8.64,0.405,0.23399999999999999,4.0,8.495,0.185
-AOZALWRGTMILIK_on_P31644_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-AOZALWRGTMILIK_on_P34903_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-AOZALWRGTMILIK_on_P47869_WT,Low,ChEMBL30,CHEMBL95746,CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1,AOZALWRGTMILIK,AOZALWRGTMILIK-UHFFFAOYSA-N,"InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,22,15,21,16,17,12,23,8,3,2,9,7,10,4,18,20,6,11,5,24,19/rA:24CCCCOCCCCCNCCCCCCCSCCCCS/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s13;s10d14;d9;s16;s6d17;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-AOZFFWYQEXPUBJ_on_Q14416_WT,High,ChEMBL30,CHEMBL1669380,CCCn1ccc2c(c(Cl)cc(-c3ccncc3)c2)c1=O,AOZFFWYQEXPUBJ,AOZFFWYQEXPUBJ-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O/c1-2-8-20-9-5-13-10-14(12-3-6-19-7-4-12)11-15(18)16(13)17(20)21/h3-7,9-11H,2,8H2,1H3","""AuxInfo=1/0/N:1,2,14,18,6,15,17,3,5,19,11,13,7,12,9,8,20,10,16,4,21/E:(3,4)(6,7)/rA:21CCCNCCCCCClCCCCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s13d17;s7d12;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-APAUJASDVVDRFR_on_P41594_WT,Low,ChEMBL30,CHEMBL1783862,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)c(OC)c2)c1=O,APAUJASDVVDRFR,APAUJASDVVDRFR-UHFFFAOYSA-N,"InChI=1S/C19H15FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-12(20)14(9-11)26-2/h3-6,8-10H,1,7H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,24,2,18,19,10,3,9,25,15,17,20,5,22,6,13,12,7,26,21,4,8,14,16,27,23,11/rA:27CCCNCCCNCCSCCNCNCCCCFCOCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s22;s23;s17d22;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-APAUJASDVVDRFR_on_Q13255_WT,High,ChEMBL30,CHEMBL1783862,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)c(OC)c2)c1=O,APAUJASDVVDRFR,APAUJASDVVDRFR-UHFFFAOYSA-N,"InChI=1S/C19H15FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-12(20)14(9-11)26-2/h3-6,8-10H,1,7H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,24,2,18,19,10,3,9,25,15,17,20,5,22,6,13,12,7,26,21,4,8,14,16,27,23,11/rA:27CCCNCCCNCCSCCNCNCCCCFCOCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s22;s23;s17d22;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-APBBKQVVTLIZLG_on_P18507_WT,Low,ChEMBL30,CHEMBL569056,c1ccc2c(c1)-c1c(cncn1)Cc1cncn-21,APBBKQVVTLIZLG,APBBKQVVTLIZLG-UHFFFAOYSA-N,"InChI=1S/C14H10N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-4,6-9H,5H2","""AuxInfo=1/0/N:1,2,6,3,13,9,15,11,17,8,14,5,4,7,10,16,12,18/rA:18CCCCCCCCCNCNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s10;s7d11;s8;s13;d14;s15;d16;s4s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-APBBKQVVTLIZLG_on_P28472_WT,Low,ChEMBL30,CHEMBL569056,c1ccc2c(c1)-c1c(cncn1)Cc1cncn-21,APBBKQVVTLIZLG,APBBKQVVTLIZLG-UHFFFAOYSA-N,"InChI=1S/C14H10N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-4,6-9H,5H2","""AuxInfo=1/0/N:1,2,6,3,13,9,15,11,17,8,14,5,4,7,10,16,12,18/rA:18CCCCCCCCCNCNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s10;s7d11;s8;s13;d14;s15;d16;s4s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-APBBKQVVTLIZLG_on_P31644_WT,Low,ChEMBL30,CHEMBL569056,c1ccc2c(c1)-c1c(cncn1)Cc1cncn-21,APBBKQVVTLIZLG,APBBKQVVTLIZLG-UHFFFAOYSA-N,"InChI=1S/C14H10N4/c1-2-4-13-12(3-1)14-10(6-15-8-17-14)5-11-7-16-9-18(11)13/h1-4,6-9H,5H2","""AuxInfo=1/0/N:1,2,6,3,13,9,15,11,17,8,14,5,4,7,10,16,12,18/rA:18CCCCCCCCCNCNCCCNCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s8;d9;s10;s7d11;s8;s13;d14;s15;d16;s4s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-APCHCMVJUVMQNL_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,49865452;CHEMBL1223384,O=C(Nc1ccc(S(=O)(=O)Cc2ccccc2Cl)cc1)c1ccccn1,APCHCMVJUVMQNL,APCHCMVJUVMQNL-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O3S/c20-17-6-2-1-5-14(17)13-26(24,25)16-10-8-15(9-11-16)22-19(23)18-7-3-4-12-21-18/h1-12H,13H2,(H,22,23)","""AuxInfo=1/1/N:14,15,23,24,13,16,22,5,20,6,19,25,11,12,4,7,17,21,2,18,26,3,1,9,10,8/E:(8,9)(10,11)(24,25)/CRV:26.6/rA:26OCNCCCCSOOCCCCCCCClCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s17;s7;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:501614;CHEMBL3810871,PMID:20667732,2010.0,PubChemAID:501614;PMID:27234146,2011;2016,0,0;1,0,0,1;0,,=,  6.625;  6.620,6.622999999999999,0.003,0.003,2.0,6.622999999999999,0.002
-APIWERDIKNFDLK_on_P41594_WT,High,ChEMBL30,CHEMBL1682791,O=C1COc2c1ccc(C#Cc1ccccc1)c2,APIWERDIKNFDLK,APIWERDIKNFDLK-UHFFFAOYSA-N,"InChI=1S/C16H10O2/c17-15-11-18-16-10-13(8-9-14(15)16)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2","""AuxInfo=1/0/N:15,14,16,13,17,11,10,8,7,18,3,12,9,6,2,5,1,4/E:(2,3)(4,5)/rA:18OCCOCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.040;  7.040,7.04,0.0,0.0,2.0,7.04,0.0
-APKCIUSODJJQDP_on_Q14833_WT,High,ChEMBL30,CHEMBL4246041,Cn1nc(C(F)(F)F)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,APKCIUSODJJQDP,APKCIUSODJJQDP-UHFFFAOYSA-N,"InChI=1S/C15H11F3N6/c1-24-11-7-8(4-5-9(11)13(23-24)15(16,17)18)20-14-12-10(21-22-14)3-2-6-19-12/h2-7H,1H3,(H2,20,21,22)","""AuxInfo=1/1/N:1,18,19,23,24,17,11,12,9,20,10,15,4,14,5,6,7,8,16,13,21,22,3,2/E:(16,17,18)/rA:24CNNCCFFFCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s5;s5;s4;s2d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-APMWPHBIJMOMCH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110444,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F,APMWPHBIJMOMCH,APMWPHBIJMOMCH-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-9-17(10-14(2)27-13)21-19-7-8-31-15(3)12-29(19)22(28-21)16-5-6-18(23(24,25)26)20(11-16)30-4/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,27,17,3,8,6,28,29,30,31,13,7,24,2,20/E:(1,2)(9,10)(13,14)(24,25,26)/rA:31COCCCCNCCCCCNCCCCCCOCCCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-APPBGPRMFVUPRH_on_P14867_WT,Low,ChEMBL30,CHEMBL1090918,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1,APPBGPRMFVUPRH,APPBGPRMFVUPRH-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-19(18(13-21-22)16-7-9-20-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:19,20,18,21,15,16,7,11,8,10,23,13,4,14,17,6,22,5,12,9,3,2,1/E:(7,8)(9,10)/rA:23ONNCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-APPBGPRMFVUPRH_on_P18507_WT,Low,ChEMBL30,CHEMBL1090918,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1,APPBGPRMFVUPRH,APPBGPRMFVUPRH-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-19(18(13-21-22)16-7-9-20-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:19,20,18,21,15,16,7,11,8,10,23,13,4,14,17,6,22,5,12,9,3,2,1/E:(7,8)(9,10)/rA:23ONNCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-APPBGPRMFVUPRH_on_P47870_WT,Low,ChEMBL30,CHEMBL1090918,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1,APPBGPRMFVUPRH,APPBGPRMFVUPRH-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-19(18(13-21-22)16-7-9-20-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:19,20,18,21,15,16,7,11,8,10,23,13,4,14,17,6,22,5,12,9,3,2,1/E:(7,8)(9,10)/rA:23ONNCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-APQYJFMBVORRMT_on_O15399_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_O60391_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APQYJFMBVORRMT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1183848,Cc1ccc(C=NN=C(N)N)cc1,APQYJFMBVORRMT,APQYJFMBVORRMT-UHFFFAOYSA-N,"InChI=1S/C9H12N4/c1-7-2-4-8(5-3-7)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,3,13,4,12,6,2,5,9,10,11,7,8/E:(2,3)(4,5)(10,11)/rA:13CCCCCCNNCNNCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-APSUVHKHPGHZAV_on_Q14833_WT,High,ChEMBL30,CHEMBL4237744,Cn1nnc2c1cc(Nc1c3ncccc3n[nH]1)cc2,APSUVHKHPGHZAV,APSUVHKHPGHZAV-UHFFFAOYSA-N,"InChI=1S/C13H11N7/c1-20-11-7-8(4-5-9(11)17-19-20)15-13-12-10(16-18-13)3-2-6-14-12/h2-7H,1H3,(H2,15,16,18)","""AuxInfo=1/1/N:1,14,15,19,20,13,7,8,5,16,6,11,10,12,9,17,4,18,3,2/rA:20CNNNCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-APVFKMKRUZMGMK_on_P41594_WT,Low,ChEMBL30,CHEMBL3633967,CC(=O)N1CCCn2nc(COc3ccncc3)cc12,APVFKMKRUZMGMK,APVFKMKRUZMGMK-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3","""AuxInfo=1/0/N:1,6,14,18,15,17,5,7,19,11,2,10,13,20,16,9,4,8,3,12/E:(3,4)(5,6)/rA:20CCONCCCNNCCOCCCNCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-APWZIFIAVVFPNT_on_P14867_WT,Low,ChEMBL30,CHEMBL4297317,CC(C(N)=O)C(N)c1nc2c(ccc(C(C)(C)C)c2)[nH]1,APWZIFIAVVFPNT,APWZIFIAVVFPNT-UHFFFAOYSA-N,"InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)","""AuxInfo=1/1/N:1,16,17,18,13,12,19,2,14,11,10,6,3,8,15,7,4,20,9,5/E:(2,3,4)/rA:20CCCNOCNCNCCCCCCCCCCN/rB:s1;s2;s3;d3;s2;s6;s6;d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s10d14;s8s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4331801,PMID:30538065,2019.0,PMID:30538065,2019,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-APWZIFIAVVFPNT_on_P18507_WT,Low,ChEMBL30,CHEMBL4297317,CC(C(N)=O)C(N)c1nc2c(ccc(C(C)(C)C)c2)[nH]1,APWZIFIAVVFPNT,APWZIFIAVVFPNT-UHFFFAOYSA-N,"InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)","""AuxInfo=1/1/N:1,16,17,18,13,12,19,2,14,11,10,6,3,8,15,7,4,20,9,5/E:(2,3,4)/rA:20CCCNOCNCNCCCCCCCCCCN/rB:s1;s2;s3;d3;s2;s6;s6;d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s10d14;s8s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4331801,PMID:30538065,2019.0,PMID:30538065,2019,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-APXVOEZTGMASLV_on_Q05586_WT,Low,ChEMBL30,CHEMBL595564,CS(=O)(=O)Nc1ccc(CCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1,APXVOEZTGMASLV,APXVOEZTGMASLV-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)22-15-6-4-14(5-7-15)3-2-10-23-11-12-24(19(23)25)16-8-9-17(20)18(21)13-16/h4-9,13,22H,2-3,10-12H2,1H3","""AuxInfo=1/0/N:1,11,10,8,27,7,28,18,19,12,14,15,24,9,6,17,20,22,25,21,23,5,13,16,26,3,4,2/E:(4,5)(6,7)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCNCCNCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;s13s16;d25;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-APXVOEZTGMASLV_on_Q13224_WT,Low,ChEMBL30,CHEMBL595564,CS(=O)(=O)Nc1ccc(CCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1,APXVOEZTGMASLV,APXVOEZTGMASLV-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)22-15-6-4-14(5-7-15)3-2-10-23-11-12-24(19(23)25)16-8-9-17(20)18(21)13-16/h4-9,13,22H,2-3,10-12H2,1H3","""AuxInfo=1/0/N:1,11,10,8,27,7,28,18,19,12,14,15,24,9,6,17,20,22,25,21,23,5,13,16,26,3,4,2/E:(4,5)(6,7)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCNCCNCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;s13s16;d25;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-APZIMAYYQKOWFP_on_O00222_WT,High,ChEMBL30,CHEMBL2381649,CC(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,APZIMAYYQKOWFP,APZIMAYYQKOWFP-UHFFFAOYSA-N,"InChI=1S/C10H14N2O5/c1-3(13)12-4-2-10(11,9(16)17)7-5(4)6(7)8(14)15/h4-7H,2,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:1,6,2,5,17,13,12,14,9,7,8,4,3,15,16,10,11/E:(14,15)(16,17)/rA:17CCONCCCNCOOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s7;d9;s9;s7;s12;s13;d14;s14;s5s12s13;/rC:;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2382523,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-APZIMAYYQKOWFP_on_O15303_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2381648;70051296;CHEMBL2381649,CC(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,APZIMAYYQKOWFP,APZIMAYYQKOWFP-UHFFFAOYSA-N,"InChI=1S/C10H14N2O5/c1-3(13)12-4-2-10(11,9(16)17)7-5(4)6(7)8(14)15/h4-7H,2,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:1,6,2,5,17,13,12,14,9,7,8,4,3,15,16,10,11/E:(14,15)(16,17)/rA:17CCONCCCNCOOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s7;d9;s9;s7;s12;s13;d14;s14;s5s12s13;/rC:;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382646;PubChemAID:748163;CHEMBL2382646,PMID:23675965,2013.0,PMID:23675965;PubChemAID:748163;PMID:23675965,2013;2014;2013,0,1;0;1,0,0,0;1;0,,=,  5.170;  5.175;  6.150,5.497999999999999,0.461,0.326,3.0,5.175,0.005
-APZIMAYYQKOWFP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2381649;70051296;CHEMBL2381649;60096211;CHEMBL2381648,CC(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,APZIMAYYQKOWFP,APZIMAYYQKOWFP-UHFFFAOYSA-N,"InChI=1S/C10H14N2O5/c1-3(13)12-4-2-10(11,9(16)17)7-5(4)6(7)8(14)15/h4-7H,2,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:1,6,2,5,17,13,12,14,9,7,8,4,3,15,16,10,11/E:(14,15)(16,17)/rA:17CCONCCCNCOOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s7;d9;s9;s7;s12;s13;d14;s14;s5s12s13;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;PubChemAID:748169;CHEMBL4023217;PubChemAID:748171;CHEMBL2383346,PMID:23675965,2013.0,PMID:29350927;PubChemAID:748169;PMID:29350927;PubChemAID:748171;PMID:23675965,2018;2014;2018;2014;2013,0;0;0;0;1,1;0;0;0;0,0,0;0;1;0;0,0;1;0;1;0,,=,  6.590;  5.302;  6.050;  6.590;  5.300,5.966,0.578,0.289,5.0,6.05,0.54
-APZIMAYYQKOWFP_on_Q14832_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2381649;CHEMBL2381649;CHEMBL2381648;60096211,CC(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,APZIMAYYQKOWFP,APZIMAYYQKOWFP-UHFFFAOYSA-N,"InChI=1S/C10H14N2O5/c1-3(13)12-4-2-10(11,9(16)17)7-5(4)6(7)8(14)15/h4-7H,2,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:1,6,2,5,17,13,12,14,9,7,8,4,3,15,16,10,11/E:(14,15)(16,17)/rA:17CCONCCCNCOOCCCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s7;d9;s9;s7;s12;s13;d14;s14;s5s12s13;/rC:;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218;CHEMBL2382648;PubChemAID:748167,PMID:23675965,2013.0,PMID:29350927;PMID:29350927;PMID:23675965;PubChemAID:748167,2018;2018;2013;2014,0;0;1;0,1;0;0;0,0,0;1;0;0,0;0;0;1,,=,  6.710;  6.750;  5.470;  6.714,6.4110000000000005,0.544,0.314,4.0,6.712000000000001,0.02
-AQCRJOWGCAFEAA_on_Q14416_WT,High,ChEMBL30,CHEMBL4093017,NC1(C(=O)O)CC(NC(=O)CC2CCCCC2)C2C(C(=O)O)C21,AQCRJOWGCAFEAA,AQCRJOWGCAFEAA-UHFFFAOYSA-N,"InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:15,14,16,13,17,11,6,12,7,9,18,19,23,20,3,2,1,8,10,21,22,4,5/E:(2,3)(4,5)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023222;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,1;0,0,0,0;1,0,,=,  5.120;  6.200,5.66,0.54,0.54,2.0,5.66,0.54
-AQCRJOWGCAFEAA_on_Q14832_WT,High,ChEMBL30,CHEMBL4093017,NC1(C(=O)O)CC(NC(=O)CC2CCCCC2)C2C(C(=O)O)C21,AQCRJOWGCAFEAA,AQCRJOWGCAFEAA-UHFFFAOYSA-N,"InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:15,14,16,13,17,11,6,12,7,9,18,19,23,20,3,2,1,8,10,21,22,4,5/E:(2,3)(4,5)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-AQDSFWRZDWJAPF_on_P31644_WT,High,ChEMBL30,CHEMBL3681484,Cc1c(COc2ccc(NC(=O)C(C)C)cn2)c(-c2ccccc2)no1,AQDSFWRZDWJAPF,AQDSFWRZDWJAPF-UHFFFAOYSA-N,"InChI=1S/C20H21N3O3/c1-13(2)20(24)22-16-9-10-18(21-11-16)25-12-17-14(3)26-23-19(17)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,22,21,23,20,24,8,7,16,4,13,2,19,9,3,6,18,11,17,10,25,12,5,26/E:(1,2)(5,6)(7,8)/rA:26CCCCOCCCCNCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s11;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-AQHDPZJWXRAEAB_on_P41594_WT,Low,ChEMBL30,CHEMBL1630072,Cc1c(COC(=O)Nc2ccccc2)sc2ncnn12,AQHDPZJWXRAEAB,AQHDPZJWXRAEAB-UHFFFAOYSA-N,"InChI=1S/C13H12N4O2S/c1-9-11(20-12-14-8-15-17(9)12)7-19-13(18)16-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,12,11,13,10,14,4,18,2,9,3,16,6,17,19,8,20,7,5,15/E:(3,4)(5,6)/rA:20CCCCOCONCCCCCCSCNCNN/rB:s1;d2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s9d13;s3;s15;d16;s17;d18;s2s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-AQHFEYIJYHPEOR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3973565,O=C(c1ccccc1F)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,AQHFEYIJYHPEOR,AQHFEYIJYHPEOR-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O/c20-14-10-11(23-19-17-16(24-25-19)6-3-9-22-17)7-8-12(14)18(26)13-4-1-2-5-15(13)21/h1-10H,(H2,23,24,25)","""AuxInfo=1/1/N:5,6,19,4,7,20,12,11,18,24,13,10,3,25,8,21,16,2,15,26,9,17,14,22,23,1/rA:26OCCCCCCCFCCCCNCCNCCCCNNCCCl/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s16s20;d21;s15s22;s13;s10d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-AQINBUDFKZIGCN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL2068815,COCCN(C)Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1,AQINBUDFKZIGCN,AQINBUDFKZIGCN-UHFFFAOYSA-N,"InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3","""AuxInfo=1/0/N:6,19,1,23,22,24,21,25,9,10,4,3,29,7,26,8,20,11,28,15,16,13,12,5,18,27,17,2,14/E:(5,6)(7,8)/rA:29COCCNCCCCCCNCSCCONCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;d16;s16;s18;s18;s20;s21;s22;s23;s20s24;d15;s13s26;s11s27;s8d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1647365;CHEMBL1772533,PMID:21172734,2011.0,PMID:21172734;PMID:21470858,2011,0,0,0,1,0,,=,  8.320;  8.320,8.32,0.0,0.0,2.0,8.32,0.0
-AQJILTBAHDGOBA_on_P31644_WT,High,ChEMBL30,CHEMBL3681544,CSc1ccc(OCc2c(C)onc2-c2ccccc2)nc1,AQJILTBAHDGOBA,AQJILTBAHDGOBA-UHFFFAOYSA-N,"InChI=1S/C17H16N2O2S/c1-12-15(11-20-16-9-8-14(22-2)10-18-16)17(19-21-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:11,1,18,17,19,16,20,4,5,22,8,10,15,3,9,6,14,21,13,7,12,2/E:(4,5)(6,7)/rA:22CSCCCCOCCCCONCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s10;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-AQKFCEWRKDXGMK_on_O00591_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_O14764_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P14867_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P18505_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P18507_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P28472_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P31644_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P34903_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P47869_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P47870_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P48169_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_P78334_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_Q16445_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQKFCEWRKDXGMK_on_Q99928_WT,Low,ChEMBL30,CHEMBL348367,COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,AQKFCEWRKDXGMK,AQKFCEWRKDXGMK-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-16-5-3-2-4-11(16)10-27-18(24)13-9-20-22-15-8-12(19)6-7-14(15)23(25)21-17(13)22/h2-9,13,17H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,16,15,19,10,5,4,17,9,14,13,3,23,7,18,11,22,12,20,8,21,2,6/CRV:23.5/rA:27COCCCOCOCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AQLKYCITPJVXMD_on_P31644_WT,High,ChEMBL30,CHEMBL3676552,COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cc2)nc1,AQLKYCITPJVXMD,AQLKYCITPJVXMD-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O4/c1-11-15(17(21-25-11)12-3-6-14(19)7-4-12)10-24-16-8-5-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,18,23,6,19,22,7,25,10,12,17,5,20,11,8,16,3,21,24,15,4,2,9,14/E:(3,4)(6,7)/rA:25COCOCCCCOCCCCONCCCCCFCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s20;s17d22;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-AQPUHGUBCHMZEI_on_P41594_WT,High,ChEMBL30,CHEMBL3917793,CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)n1,AQPUHGUBCHMZEI,AQPUHGUBCHMZEI-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O3/c1-10(15-21-17(28-24-15)12-4-3-5-13(19)8-12)27-18-23-22-16(25(18)2)11-6-7-20-14(26)9-11/h3-10H,1-2H3,(H,20,26)","""AuxInfo=1/1/N:1,16,26,27,25,9,10,22,14,2,8,21,23,12,17,7,20,4,24,11,28,6,5,18,15,13,3,19/rA:28CCOCNNCCCCNCOCNCCNOCCCCClCCCN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-ARALODMXRQSQDE_on_P41594_WT,Low,ChEMBL30,CHEMBL1290788,O=C(COCc1ccccc1)N1CCN(c2ccncc2)CC1,ARALODMXRQSQDE,ARALODMXRQSQDE-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c22-18(15-23-14-16-4-2-1-3-5-16)21-12-10-20(11-13-21)17-6-8-19-9-7-17/h1-9H,10-15H2","""AuxInfo=1/0/N:9,8,10,7,11,17,21,18,20,14,22,13,23,5,3,6,16,2,19,15,12,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23OCCOCCCCCCCNCCNCCCNCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.602,4.602,0.0,0.0,1.0,4.602,0.0
-ARBLJOFSCMJCAL_on_P31644_WT,High,ChEMBL30,CHEMBL3676426,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccc(Cl)cn2)no1,ARBLJOFSCMJCAL,ARBLJOFSCMJCAL-UHFFFAOYSA-N,"InChI=1S/C19H17ClN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,8,21,14,15,20,7,16,24,4,2,9,22,13,3,19,6,18,10,23,25,17,12,26,11,5,27/E:(4,5)/rA:27CCCCOCCCCCONCCCCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-ARBXYFIBGCCVTN_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681890,Clc1ccc(-n2nc3c4c(CCCCC4)ncc3c2OCc2ccccc2Cl)cc1,ARBXYFIBGCCVTN,ARBXYFIBGCCVTN-UHFFFAOYSA-N,"InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2","""AuxInfo=1/0/N:13,14,12,24,25,23,15,26,11,3,30,4,29,17,21,22,2,5,9,18,27,10,8,19,1,28,16,7,6,20/E:(10,11)(12,13)/rA:30ClCCCCNNCCCCCCCCNCCCOCCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;d16;s8s17;s6d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-ARBXYFIBGCCVTN_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681890,Clc1ccc(-n2nc3c4c(CCCCC4)ncc3c2OCc2ccccc2Cl)cc1,ARBXYFIBGCCVTN,ARBXYFIBGCCVTN-UHFFFAOYSA-N,"InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2","""AuxInfo=1/0/N:13,14,12,24,25,23,15,26,11,3,30,4,29,17,21,22,2,5,9,18,27,10,8,19,1,28,16,7,6,20/E:(10,11)(12,13)/rA:30ClCCCCNNCCCCCCCCNCCCOCCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;d16;s8s17;s6d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-ARCJBXYEOMXBSZ_on_O00591_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_O14764_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P14867_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P18505_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P28472_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P31644_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P34903_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P47869_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P47870_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P48169_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_P78334_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARCJBXYEOMXBSZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL187479,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,ARCJBXYEOMXBSZ,ARCJBXYEOMXBSZ-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2F9N3S/c1-34-16-13(7-2-8(17(22,23)24)4-9(3-7)18(25,26)27)15(31)33(32-16)14-11(20)5-10(6-12(14)21)19(28,29)30/h2-6H,31H2,1H3","""AuxInfo=1/0/N:1,22,34,28,9,15,21,23,29,10,7,16,20,6,18,3,24,30,11,8,17,25,26,27,31,32,33,12,13,14,19,4,5,2/E:(2,3)(5,6)(8,9)(11,12)(17,18)(20,21)(22,23,24,25,26,27)(28,29,30)/rA:34CSCNNCCClCCCFFFCCClCNCCCCCFFFCCCFFFC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s29;s30;s30;s30;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-ARDYJJNVORDHRK_on_O00222_WT,High,ChEMBL30,CHEMBL4060099,NC(CCP(=O)(O)C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O,ARDYJJNVORDHRK,ARDYJJNVORDHRK-UHFFFAOYSA-N,"InChI=1S/C18H22N3O6P/c19-16(18(22)23)9-10-28(26,27)17(20-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)21(24)25/h1-8,11,16-17,20H,9-10,12,19H2,(H,22,23)(H,26,27)","""AuxInfo=1/1/N:14,13,15,19,12,16,18,20,3,4,25,10,11,17,21,2,8,26,1,9,22,27,28,23,24,6,7,5/E:(2,3)(5,6)(22,23)(24,25)(26,27)/CRV:21.5/rA:28NCCCPOOCNCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;d11;s12;d13;s14;s11d15;s8;d17;s18;d19;s20;s21;d22;s22;s17d21;s2;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.530,4.53,0.0,0.0,1.0,4.53,0.0
-ARDYJJNVORDHRK_on_Q14833_WT,High,ChEMBL30,CHEMBL4060099,NC(CCP(=O)(O)C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O,ARDYJJNVORDHRK,ARDYJJNVORDHRK-UHFFFAOYSA-N,"InChI=1S/C18H22N3O6P/c19-16(18(22)23)9-10-28(26,27)17(20-12-13-5-2-1-3-6-13)14-7-4-8-15(11-14)21(24)25/h1-8,11,16-17,20H,9-10,12,19H2,(H,22,23)(H,26,27)","""AuxInfo=1/1/N:14,13,15,19,12,16,18,20,3,4,25,10,11,17,21,2,8,26,1,9,22,27,28,23,24,6,7,5/E:(2,3)(5,6)(22,23)(24,25)(26,27)/CRV:21.5/rA:28NCCCPOOCNCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;d11;s12;d13;s14;s11d15;s8;d17;s18;d19;s20;s21;d22;s22;s17d21;s2;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-AREDGFWKVCUPTH_on_Q14416_WT,High,ChEMBL30,CHEMBL2206449,COc1c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)c(F)ccc1F,AREDGFWKVCUPTH,AREDGFWKVCUPTH-UHFFFAOYSA-N,"InChI=1S/C23H23F5N4O/c1-33-21-16(25)5-4-15(24)19(21)14-6-9-31(10-7-14)17-8-11-32-18(12-13-2-3-13)29-30-22(32)20(17)23(26,27)28/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,21,22,30,31,6,27,25,7,26,24,19,20,5,28,32,9,18,4,10,3,15,11,29,33,12,13,14,17,16,8,23,2/E:(2,3)(6,7)(9,10)(26,27,28)/rA:33COCCCCCNCCCFFFCNNCCCCCNCCCCCFCCCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s9d24;s8;s5s26;s4;s28;d28;s30;s3d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-ARJNDUZQSPLLTL_on_P18507_WT,Low,ChEMBL30,CHEMBL198306,N#Cc1c(-c2cc(-c3ccccc3)nnc2)cccc1,ARJNDUZQSPLLTL,ARJNDUZQSPLLTL-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H","""AuxInfo=1/0/N:11,10,12,19,18,9,13,20,17,6,2,16,8,3,5,4,7,1,15,14/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCNNCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.360;  6.490,6.425,0.065,0.065,2.0,6.425,0.065
-ARJNDUZQSPLLTL_on_P28472_WT,Low,ChEMBL30,CHEMBL198306,N#Cc1c(-c2cc(-c3ccccc3)nnc2)cccc1,ARJNDUZQSPLLTL,ARJNDUZQSPLLTL-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H","""AuxInfo=1/0/N:11,10,12,19,18,9,13,20,17,6,2,16,8,3,5,4,7,1,15,14/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCNNCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.360;  6.490,6.425,0.065,0.065,2.0,6.425,0.065
-ARJNDUZQSPLLTL_on_P31644_WT,Low,ChEMBL30,CHEMBL198306,N#Cc1c(-c2cc(-c3ccccc3)nnc2)cccc1,ARJNDUZQSPLLTL,ARJNDUZQSPLLTL-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H","""AuxInfo=1/0/N:11,10,12,19,18,9,13,20,17,6,2,16,8,3,5,4,7,1,15,14/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCNNCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-ARJNDUZQSPLLTL_on_P34903_WT,Low,ChEMBL30,CHEMBL198306,N#Cc1c(-c2cc(-c3ccccc3)nnc2)cccc1,ARJNDUZQSPLLTL,ARJNDUZQSPLLTL-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H","""AuxInfo=1/0/N:11,10,12,19,18,9,13,20,17,6,2,16,8,3,5,4,7,1,15,14/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCNNCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-ARKOFPWBWBXGLK_on_P41594_WT,High,ChEMBL30,CHEMBL610918,CC1CCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)CC1,ARKOFPWBWBXGLK,ARKOFPWBWBXGLK-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c1-13-8-10-22(11-9-13)18(23)14-2-7-17(20-12-14)21-16-5-3-15(19)4-6-16/h2-7,12-13H,8-11H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,9,15,18,14,19,10,3,23,4,22,21,2,8,16,13,11,6,17,20,12,5,7/E:(3,4)(5,6)(8,9)(10,11)/rA:23CCCCNCOCCCCNCCCCClCCNCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s8d20;s5;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-ARMOVYXWYVHALH_on_P41594_WT,High,ChEMBL30,CHEMBL3633978,CC(=O)N1c2cc(COc3ccccc3)nn2CCC1c1ccccc1,ARMOVYXWYVHALH,ARMOVYXWYVHALH-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2/c1-16(25)24-20(17-8-4-2-5-9-17)12-13-23-21(24)14-18(22-23)15-26-19-10-6-3-7-11-19/h2-11,14,20H,12-13,15H2,1H3","""AuxInfo=1/0/N:1,24,13,23,25,12,14,22,26,11,15,19,18,6,8,2,21,7,10,20,5,16,17,4,3,9/E:(4,5)(6,7)(8,9)(10,11)/rA:26CCONCCCCOCCCCCCNNCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;d7;s5s16;s17;s18;s4s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-ARPNTBIJGIBFLQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3895394,CC(C)(C)c1cccc(Nc2c3ncccc3n[nH]2)c1,ARPNTBIJGIBFLQ,ARPNTBIJGIBFLQ-UHFFFAOYSA-N,"InChI=1S/C16H18N4/c1-16(2,3)11-6-4-7-12(10-11)18-15-14-13(19-20-15)8-5-9-17-14/h4-10H,1-3H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,3,4,7,15,6,8,16,14,20,5,9,17,12,11,2,13,10,18,19/E:(1,2,3)/rA:20CCCCCCCCCNCCNCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ARQMDSGPKJNMDQ_on_P14867_WT,Low,ChEMBL30,CHEMBL2315220,CCc1nn(O)cc1CN,ARQMDSGPKJNMDQ,ARQMDSGPKJNMDQ-UHFFFAOYSA-N,"InChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,9,7,8,3,10,4,5,6/rA:10CCCNNOCCCN/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-ARQMDSGPKJNMDQ_on_P18507_WT,Low,ChEMBL30,CHEMBL2315220,CCc1nn(O)cc1CN,ARQMDSGPKJNMDQ,ARQMDSGPKJNMDQ-UHFFFAOYSA-N,"InChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,9,7,8,3,10,4,5,6/rA:10CCCNNOCCCN/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-ARQMDSGPKJNMDQ_on_P47870_WT,Low,ChEMBL30,CHEMBL2315220,CCc1nn(O)cc1CN,ARQMDSGPKJNMDQ,ARQMDSGPKJNMDQ-UHFFFAOYSA-N,"InChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,9,7,8,3,10,4,5,6/rA:10CCCNNOCCCN/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-ARRMBCFAIUOQDM_on_Q14833_WT,High,ChEMBL30,CHEMBL4060429,ON=c1cc(-c2cnc3ccccc3c2)oc2c1cccc2,ARRMBCFAIUOQDM,ARRMBCFAIUOQDM-UHFFFAOYSA-N,"InChI=1S/C18H12N2O2/c21-20-16-10-18(22-17-8-4-2-6-14(16)17)13-9-12-5-1-3-7-15(12)19-11-13/h1-11,21H","""AuxInfo=1/0/N:12,20,11,21,13,19,10,22,15,4,7,14,6,18,9,3,17,5,8,2,1,16/rA:22ONCCCCCNCCCCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-ARURJSLYUICTPW_on_O15399_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_O60391_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_Q05586_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_Q12879_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_Q13224_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARURJSLYUICTPW_on_Q14957_WT,Low,ChEMBL30,CHEMBL424261,NCCCCC12CC3CC(CC(C3)C1)C2,ARURJSLYUICTPW,ARURJSLYUICTPW-UHFFFAOYSA-N,"InChI=1S/C14H25N/c15-4-2-1-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,15H2","""AuxInfo=1/0/N:4,3,5,2,9,11,13,15,7,14,10,8,12,6,1/E:(5,6,7)(8,9,10)(11,12,13)/rA:15NCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s6s12;s6s10;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ARYUXFNGXHNNDM_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,44191096;CHEMBL562551;CHEMBL562551;CHEMBL562551,COc1cc(NC(=O)c2ccccn2)ccc1Cl,ARYUXFNGXHNNDM,ARYUXFNGXHNNDM-UHFFFAOYSA-N,"InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,12,10,15,16,13,4,5,17,9,3,7,18,14,6,8,2/rA:18COCCCNCOCCCCCNCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2180;CHEMBL1831599;CHEMBL3610662;CHEMBL3610662,PubChemAID:2197,2009.0,PubChemAID:2180;PMID:21688779;PMID:26231155;PMID:26231155,2009;2011;2015;2015,0;0;1;1,0;1;0;0,0,0,1;0;0;0,,=, 12.419;  6.620;  8.290;  8.290,8.905,2.14,1.236,4.0,8.29,0.835
-ASCXKRMXEFOMII_on_O15399_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_O60391_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_Q05586_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_Q12879_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_Q13224_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASCXKRMXEFOMII_on_Q14957_WT,Low,ChEMBL30,CHEMBL297310,COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,ASCXKRMXEFOMII,ASCXKRMXEFOMII-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c1-21-10-4-2-3-8(5-10)12-14(19)13-11(18-15(12)20)6-9(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,5,6,4,21,13,16,7,14,3,12,8,11,9,19,15,17,18,10,20,2/rA:21COCCCCCCCOCCCCClCNNCOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s12;s8d18;s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-ASDDLGURTBAWBW_on_P41594_WT,High,ChEMBL30,CHEMBL2349537,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)c(F)c3)c2C)ccc1,ASDDLGURTBAWBW,ASDDLGURTBAWBW-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:1,22,11,24,25,23,14,15,20,2,21,13,16,18,4,8,12,6,17,19,3,5,9,10,7/rA:25CCNCNCOCNNCCCCCCFCFCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s18;s13d18;s8d12;s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-ASEXGBOOLPFOOK_on_P41594_WT,High,ChEMBL30,CHEMBL3122219,Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12,ASEXGBOOLPFOOK,ASEXGBOOLPFOOK-UHFFFAOYSA-N,"InChI=1S/C20H18N6O/c1-13-7-9-21-10-16(13)18-19-20(26(25-18)15-5-6-15)24-17(11-23-19)27-12-14-4-2-3-8-22-14/h2-4,7-11,15H,5-6,12H2,1H3","""AuxInfo=1/0/N:1,21,22,20,12,13,3,23,4,6,25,18,2,19,11,7,16,8,27,14,5,24,26,15,9,10,17/E:(5,6)/rA:27CCCCNCCCNNCCCCNCOCCCCCCNCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s11;s11s12;s10;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s25;s8s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-ASNFTDCKZKHJSW_on_P41594_WT,High,ChEMBL30,CHEMBL279956,NC(Cn1oc(=O)[nH]c1=O)C(=O)O,ASNFTDCKZKHJSW,ASNFTDCKZKHJSW-UHFFFAOYSA-N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)","""AuxInfo=1/1/N:3,2,11,9,6,1,8,4,12,13,10,7,5/E:(9,10)/rA:13NCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4371657,PMID:7738999,1995.0,PMID:29939744,2018,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-ASNFTDCKZKHJSW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL279956,NC(Cn1oc(=O)[nH]c1=O)C(=O)O,ASNFTDCKZKHJSW,ASNFTDCKZKHJSW-UHFFFAOYSA-N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)","""AuxInfo=1/1/N:3,2,11,9,6,1,8,4,12,13,10,7,5/E:(9,10)/rA:13NCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076;CHEMBL717335,PMID:8831765,1996.0,PMID:10893301;PMID:8831765,2000;1996,0,0;1,0,1;0,0,,=,  5.960;  6.700,6.33,0.37,0.37,2.0,6.33,0.37
-ASNFTDCKZKHJSW_on_Q14416_WT,Low,ChEMBL30,CHEMBL279956,NC(Cn1oc(=O)[nH]c1=O)C(=O)O,ASNFTDCKZKHJSW,ASNFTDCKZKHJSW-UHFFFAOYSA-N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)","""AuxInfo=1/1/N:3,2,11,9,6,1,8,4,12,13,10,7,5/E:(9,10)/rA:13NCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718222,PMID:12109902,2002.0,PMID:12109902,2002,0,0,0,1,0,,=,  3.947,3.947,0.0,0.0,1.0,3.947,0.0
-ASNFTDCKZKHJSW_on_Q14832_WT,Medium,ChEMBL30,CHEMBL279956,NC(Cn1oc(=O)[nH]c1=O)C(=O)O,ASNFTDCKZKHJSW,ASNFTDCKZKHJSW-UHFFFAOYSA-N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)","""AuxInfo=1/1/N:3,2,11,9,6,1,8,4,12,13,10,7,5/E:(9,10)/rA:13NCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-ASNFTDCKZKHJSW_on_Q14833_WT,Low,ChEMBL30,CHEMBL279956,NC(Cn1oc(=O)[nH]c1=O)C(=O)O,ASNFTDCKZKHJSW,ASNFTDCKZKHJSW-UHFFFAOYSA-N,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)","""AuxInfo=1/1/N:3,2,11,9,6,1,8,4,12,13,10,7,5/E:(9,10)/rA:13NCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s8;d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL714668,PMID:7738999,1995.0,PMID:12109902,2002,0,0,0,1,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-ASOMIBIVSUWZCJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3221847,CCCn1ccc2c(cccc2N(Cl)Cc2cccc(OC)c2)c1=O,ASOMIBIVSUWZCJ,ASOMIBIVSUWZCJ-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O2/c1-3-11-22-12-10-17-18(20(22)24)8-5-9-19(17)23(21)14-15-6-4-7-16(13-15)25-2/h4-10,12-13H,3,11,14H2,1-2H3","""AuxInfo=1/0/N:1,22,2,18,10,17,19,9,11,6,3,5,23,15,16,20,7,8,12,24,14,4,13,25,21/rA:25CCCNCCCCCCCCNClCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s13;s15;d16;s17;d18;s19;s20;s21;s16d20;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-ASPZLOAYQGNTOO_on_O15303_WT,High,ChEMBL30,CHEMBL568515,CCCOC(=O)c1c(N)sc(-c2ccccc2)c1C,ASPZLOAYQGNTOO,ASPZLOAYQGNTOO-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S/c1-3-9-18-15(17)12-10(2)13(19-14(12)16)11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3","""AuxInfo=1/0/N:1,19,2,15,14,16,13,17,3,18,12,7,11,8,5,9,6,4,10/E:(5,6)(7,8)/rA:19CCCOCOCCNSCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-ASRGZPHCBUGDSD_on_P41594_WT,Low,ChEMBL30,CHEMBL215746,Cc1nc(C#CC(=O)Nc2ccccc2)ccc1,ASRGZPHCBUGDSD,ASRGZPHCBUGDSD-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c1-12-6-5-9-14(16-12)10-11-15(18)17-13-7-3-2-4-8-13/h2-9H,1H3,(H,17,18)","""AuxInfo=1/1/N:1,13,12,14,17,18,11,15,16,5,6,2,10,4,7,3,9,8/E:(3,4)(7,8)/rA:18CCNCCCCONCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASTYVHDYHCSBJG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3958116,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1,ASTYVHDYHCSBJG,ASTYVHDYHCSBJG-UHFFFAOYSA-N,"InChI=1S/C17H11F4N3O3S2/c18-11-6-2-1-5-10(11)9-29(26,27)15-13(17(19,20)21)23-16(28-15)24-14(25)12-7-3-4-8-22-12/h1-8H,9H2,(H,23,24,25)","""AuxInfo=1/1/N:18,19,26,27,17,20,25,28,15,16,21,24,6,2,11,4,7,22,8,9,10,29,5,3,1,13,14,23,12/E:(19,20,21)(26,27)/CRV:29.6/rA:29OCNCNCCFFFCSOOCCCCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;d18;s19;s16d20;s21;s4s11;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ASUUYVGZXHIQJW_on_P41594_WT,Low,ChEMBL30,CHEMBL1289784,Clc1cc(Cl)c(N2CCN(CCOCc3ccccc3)CC2)cc1,ASUUYVGZXHIQJW,ASUUYVGZXHIQJW-UHFFFAOYSA-N,"InChI=1S/C19H22Cl2N2O/c20-17-6-7-19(18(21)14-17)23-10-8-22(9-11-23)12-13-24-15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2","""AuxInfo=1/0/N:18,17,19,16,20,24,23,9,21,8,22,11,12,3,14,15,2,4,6,1,5,10,7,13/E:(2,3)(4,5)(8,9)(10,11)/rA:24ClCCCClCNCCNCCOCCCCCCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s7s21;s6;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.602,4.602,0.0,0.0,1.0,4.602,0.0
-ASUXILMTDDVWPD_on_P14867_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-ASUXILMTDDVWPD_on_P18507_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682253;CHEMBL685339;CHEMBL681641;CHEMBL685340;CHEMBL680293;CHEMBL683015;CHEMBL681090;CHEMBL681405,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794,2003;2003;2003;2002;2002;2002;2002;2003,0,0,0,1,0,,=,  7.620;  8.540;  7.510;  8.540;  7.510;  7.680;  7.620;  7.680,7.837999999999999,0.41,0.155,8.0,7.65,0.085
-ASUXILMTDDVWPD_on_P28472_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683015;CHEMBL681090;CHEMBL680293;CHEMBL685340;CHEMBL681641;CHEMBL682253;CHEMBL685339;CHEMBL681405,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.680;  7.620;  7.510;  8.540;  7.510;  7.620;  8.540;  7.680,7.837999999999999,0.41,0.155,8.0,7.65,0.085
-ASUXILMTDDVWPD_on_P31644_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.540;  8.540,8.54,0.0,0.0,2.0,8.54,0.0
-ASUXILMTDDVWPD_on_P34903_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.620;  7.620,7.62,0.0,0.0,2.0,7.62,0.0
-ASUXILMTDDVWPD_on_P47869_WT,Low,ChEMBL30,CHEMBL17466,CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1,ASUXILMTDDVWPD,ASUXILMTDDVWPD-UHFFFAOYSA-N,"InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,19,18,11,10,21,4,20,15,5,7,14,8,2,17,16,12,6,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.680;  7.680,7.68,0.0,0.0,2.0,7.68,0.0
-ASVIRPJBVKLRRZ_on_P41594_WT,High,ChEMBL30,CHEMBL511355,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1,ASVIRPJBVKLRRZ,ASVIRPJBVKLRRZ-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)16-13-22(20-19-16)15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,17,19,16,20,10,23,9,24,13,11,15,12,6,2,22,21,8,14,7,5/E:(1,2,3)(5,6)(7,8)/rA:24CCCCOCONCCCCCNCCCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-ASVIRPJBVKLRRZ_on_Q13255_WT,High,ChEMBL30,CHEMBL511355,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1,ASVIRPJBVKLRRZ,ASVIRPJBVKLRRZ-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)16-13-22(20-19-16)15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,17,19,16,20,10,23,9,24,13,11,15,12,6,2,22,21,8,14,7,5/E:(1,2,3)(5,6)(7,8)/rA:24CCCCOCONCCCCCNCCCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-ASXSNATYQDGTAJ_on_O15399_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_O60391_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_P41594_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ASXSNATYQDGTAJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL4171187,COc1ccc(-n2nc(C)c3conc3c2=O)cc1,ASXSNATYQDGTAJ,ASXSNATYQDGTAJ-UHFFFAOYSA-N,"InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3","""AuxInfo=1/0/N:10,1,5,18,4,19,12,9,6,3,11,15,16,8,14,7,17,2,13/E:(3,4)(5,6)/rA:19COCCCCNNCCCCONCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s11d14;s7s15;d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ATANXXIRELYOTO_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647579,COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F,ATANXXIRELYOTO,ATANXXIRELYOTO-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-13(2)27-12-24-21-18(11-25-26-22(21)27)14-5-8-19(23)17(9-14)16-7-6-15(31(4,28)29)10-20(16)30-3/h5-13H,1-4H3","""AuxInfo=1/0/N:26,27,1,7,28,10,11,29,14,4,17,23,25,15,5,12,13,16,30,3,21,20,31,22,18,19,24,8,9,2,6/E:(1,2)(28,29)/CRV:31.6/rA:31COCCCSCOOCCCCCCCCNNCCNCNCCCCCCF/rB:s1;s2;d3;s4;s5;s6;d6;d6;d5;s10;s3d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s20s23;s24;s25;s25;d15;s28;s13d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-ATBFJRPOJMEYFO_on_P41594_WT,Low,ChEMBL30,CHEMBL407707,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(NS(C)(=O)=O)ccc2)n1,ATBFJRPOJMEYFO,ATBFJRPOJMEYFO-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O2S/c1-12-10-24-11-14(18(19,20)21)9-17(24)16(22-12)7-6-13-4-3-5-15(8-13)23-27(2,25)26/h3-5,8-11,23H,1-2H3","""AuxInfo=1/0/N:1,21,25,26,24,15,14,17,11,3,5,2,16,6,18,13,12,7,8,9,10,27,19,4,22,23,20/E:(19,20,21)(25,26)/CRV:27.6/rA:27CCCNCCCFFFCCCCCCCCNSCOOCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;s19;s20;d20;d20;d18;s24;s16d25;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-ATCGGRVKBBGEQY_on_P14867_WT,Low,ChEMBL30,CHEMBL52014,COc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,ATCGGRVKBBGEQY,ATCGGRVKBBGEQY-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-20-14-8-5-11-17(20)15-29-23-19-13-7-6-12-18(19)22-25-24-21(27(22)26-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,14,13,15,27,24,23,28,12,16,26,25,22,29,5,11,4,20,21,3,10,19,7,17,18,8,9,2,6/E:(3,4)(9,10)/rA:29COCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATCGGRVKBBGEQY_on_P31644_WT,Low,ChEMBL30,CHEMBL52014,COc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,ATCGGRVKBBGEQY,ATCGGRVKBBGEQY-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-20-14-8-5-11-17(20)15-29-23-19-13-7-6-12-18(19)22-25-24-21(27(22)26-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,14,13,15,27,24,23,28,12,16,26,25,22,29,5,11,4,20,21,3,10,19,7,17,18,8,9,2,6/E:(3,4)(9,10)/rA:29COCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATCGGRVKBBGEQY_on_P34903_WT,Low,ChEMBL30,CHEMBL52014,COc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,ATCGGRVKBBGEQY,ATCGGRVKBBGEQY-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-20-14-8-5-11-17(20)15-29-23-19-13-7-6-12-18(19)22-25-24-21(27(22)26-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,14,13,15,27,24,23,28,12,16,26,25,22,29,5,11,4,20,21,3,10,19,7,17,18,8,9,2,6/E:(3,4)(9,10)/rA:29COCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATCGGRVKBBGEQY_on_P47869_WT,Low,ChEMBL30,CHEMBL52014,COc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,ATCGGRVKBBGEQY,ATCGGRVKBBGEQY-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-20-14-8-5-11-17(20)15-29-23-19-13-7-6-12-18(19)22-25-24-21(27(22)26-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,14,13,15,27,24,23,28,12,16,26,25,22,29,5,11,4,20,21,3,10,19,7,17,18,8,9,2,6/E:(3,4)(9,10)/rA:29COCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATESSTJCVXDGTE_on_P41594_WT,High,ChEMBL30,CHEMBL363062,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1,ATESSTJCVXDGTE,ATESSTJCVXDGTE-UHFFFAOYSA-N,"InChI=1S/C22H16ClN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,22,27,23,26,5,7,21,24,15,6,4,2,25,3,13,14,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27OCNCCCCCCCCCNNCCCCCCCCCCClCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ATFSSOIYERKWIZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3979288,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(CC(F)(F)F)C2)c3)cn1,ATFSSOIYERKWIZ,ATFSSOIYERKWIZ-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O2/c1-28-11-14(9-26-28)17-7-19(20(25)30)27-18-6-13(2-3-16(17)18)10-29-4-5-31-15(12-29)8-21(22,23)24/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,15,14,19,20,29,6,23,30,17,3,28,16,4,22,13,5,12,7,8,24,25,26,27,9,31,11,2,18,10,21/E:(22,23,24)/rA:31CNCCCCCCNONCCCCCCNCCOCCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s18s22;s12d16;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ATMHOFAAZQHBFU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112202,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)ccn1,ATMHOFAAZQHBFU,ATMHOFAAZQHBFU-UHFFFAOYSA-N,"InChI=1S/C20H19ClFN3O/c1-12-9-14(5-7-23-12)19-18-6-8-26-13(2)11-25(18)20(24-19)15-3-4-16(21)17(22)10-15/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,24,7,25,8,3,22,12,2,10,4,15,18,20,6,5,14,19,21,26,23,13,9/rA:26CCCCCCCCOCCCNCCCCCClCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ATPSAOLGMWJQNL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16659966;CHEMBL235975,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1,ATPSAOLGMWJQNL,ATPSAOLGMWJQNL-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2S/c1-10-2-4-11(5-3-10)22-9-21-15-13-14-12(24-7-6-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,20,19,16,7,2,5,15,13,14,9,10,12,22,21,17,8,6,23,18,11/E:(2,3)(4,5)/rA:25CCCCCNCNCCSCCCCCNOCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s14s20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:302749;CHEMBL899860,PMID:17929793,2007.0,PubChemAID:302749;PMID:17929793,2010;2007,0;1,0,0,0,1;0,,=,  6.154;  6.150,6.152,0.002,0.002,2.0,6.152,0.002
-ATPSAOLGMWJQNL_on_Q13255_WT,High,ChEMBL30,CHEMBL235975,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1,ATPSAOLGMWJQNL,ATPSAOLGMWJQNL-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2S/c1-10-2-4-11(5-3-10)22-9-21-15-13-14-12(24-7-6-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,20,19,16,7,2,5,15,13,14,9,10,12,22,21,17,8,6,23,18,11/E:(2,3)(4,5)/rA:25CCCCCNCNCCSCCCCCNOCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s14s20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-ATQAQBDNEQGMEP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL181869;11691077,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cc(-c3n[nH]nn3)ccc1)c2,ATQAQBDNEQGMEP,ATQAQBDNEQGMEP-UHFFFAOYSA-N,"InChI=1S/C23H22Cl2N4O2/c1-23(16-7-2-3-8-16)11-15-10-17(19(24)20(25)18(15)21(23)30)31-12-13-5-4-6-14(9-13)22-26-28-29-27-22/h4-6,9-10,16H,2-3,7-8,11-12H2,1H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,5,6,29,30,28,4,7,21,31,8,19,20,22,9,3,17,10,15,13,11,23,2,16,14,24,27,25,26,12,18/E:(2,3)(7,8)(26,27)(28,29)/rA:31CCCCCCCCCCCOCClCClCOCCCCCNNNNCCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;s22;d23;s24;s25;s23d26;d22;s28;s20d29;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.430;  6.431,6.431,0.0,0.0,2.0,6.431,0.001
-ATRKWQYRPBFBDA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114910,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(OC(F)(F)F)c3)n2)cc(C)n1,ATRKWQYRPBFBDA,ATRKWQYRPBFBDA-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c1-12-8-16(9-13(2)27-12)20-18-6-7-30-14(3)11-29(18)21(28-20)15-4-5-17(23)19(10-15)31-22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,2,29,10,15,4,18,6,20,5,14,22,19,23,24,25,31,27,13,9,21/E:(1,2)(8,9)(12,13)(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCClCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s22;s22;s15d20;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-ATSQUXDTANOYQX_on_P14867_WT,Low,ChEMBL30,CHEMBL180575,CN1CCCCC1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ATSQUXDTANOYQX,ATSQUXDTANOYQX-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-14-6-5-9-19(28)15-30-24-21-17-12-10-16(11-13-17)20(21)23-26-25-22(29(23)27-24)18-7-3-2-4-8-18/h2-4,7-8,16-17,19H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,4,15,19,6,27,29,26,30,3,8,28,25,14,7,23,24,13,22,10,20,21,11,2,12,9/E:(3,4)(7,8)(10,11)(12,13)/rA:30CNCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATSQUXDTANOYQX_on_P31644_WT,Low,ChEMBL30,CHEMBL180575,CN1CCCCC1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ATSQUXDTANOYQX,ATSQUXDTANOYQX-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-14-6-5-9-19(28)15-30-24-21-17-12-10-16(11-13-17)20(21)23-26-25-22(29(23)27-24)18-7-3-2-4-8-18/h2-4,7-8,16-17,19H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,4,15,19,6,27,29,26,30,3,8,28,25,14,7,23,24,13,22,10,20,21,11,2,12,9/E:(3,4)(7,8)(10,11)(12,13)/rA:30CNCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATSQUXDTANOYQX_on_P34903_WT,Low,ChEMBL30,CHEMBL180575,CN1CCCCC1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ATSQUXDTANOYQX,ATSQUXDTANOYQX-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-14-6-5-9-19(28)15-30-24-21-17-12-10-16(11-13-17)20(21)23-26-25-22(29(23)27-24)18-7-3-2-4-8-18/h2-4,7-8,16-17,19H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,4,15,19,6,27,29,26,30,3,8,28,25,14,7,23,24,13,22,10,20,21,11,2,12,9/E:(3,4)(7,8)(10,11)(12,13)/rA:30CNCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATSQUXDTANOYQX_on_P47869_WT,Low,ChEMBL30,CHEMBL180575,CN1CCCCC1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ATSQUXDTANOYQX,ATSQUXDTANOYQX-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-14-6-5-9-19(28)15-30-24-21-17-12-10-16(11-13-17)20(21)23-26-25-22(29(23)27-24)18-7-3-2-4-8-18/h2-4,7-8,16-17,19H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,4,15,19,6,27,29,26,30,3,8,28,25,14,7,23,24,13,22,10,20,21,11,2,12,9/E:(3,4)(7,8)(10,11)(12,13)/rA:30CNCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ATUWQNWKWUCHNT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL483561,CC1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)O1,ATUWQNWKWUCHNT,ATUWQNWKWUCHNT-UHFFFAOYSA-N,"InChI=1S/C18H16F3NO3/c1-12-10-22(17(23)24-12)11-13-2-4-14(5-3-13)15-6-8-16(9-7-15)25-18(19,20)21/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,7,22,8,21,11,20,12,19,3,5,2,6,9,10,13,23,15,16,17,18,4,24,25,14/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:25CCCNCCCCCCCCCOCFFFCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s13;s10d19;s9;s6d21;s4;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-ATXBXIQFGFGNFK_on_P41594_WT,High,ChEMBL30,CHEMBL1630064,Cc1c(C(C)OC(=O)Nc2cc(F)ccc2)oc2ncnn12,ATXBXIQFGFGNFK,ATXBXIQFGFGNFK-UHFFFAOYSA-N,"InChI=1S/C14H13FN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,18,20)","""AuxInfo=1/1/N:1,5,15,14,16,11,20,2,4,12,10,3,18,7,13,19,21,9,22,8,6,17/rA:22CCCCCOCONCCCFCCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-AUDNYCYOYQBLEH_on_Q14833_WT,High,ExCAPE-DB,56587823,Fc1cccc(Nc2noc3cccnc23)c1,AUDNYCYOYQBLEH,AUDNYCYOYQBLEH-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11/h1-7H,(H,15,16)","""AuxInfo=1/1/N:4,13,3,5,12,14,17,2,6,11,16,8,1,15,7,9,10/rA:17FCCCCCNCNOCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.924,5.9239999999999995,0.0,0.0,1.0,5.9239999999999995,0.0
-AUHOJMFHOZABMV_on_Q14833_WT,High,ChEMBL30,CHEMBL4244458,CN1CCC(Oc2nn(C)c3c2ccc(Nc2c4ncccc4n[nH]2)c3)CC1,AUHOJMFHOZABMV,AUHOJMFHOZABMV-UHFFFAOYSA-N,"InChI=1S/C20H23N7O/c1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,10,21,22,14,13,4,27,20,3,28,26,15,5,12,23,11,18,17,7,19,16,24,25,8,2,9,6/E:(7,8)(10,11)/rA:28CNCCCOCNNCCCCCCNCCNCCCCNNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s9;s7d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s18s22;d23;s17s24;s11d15;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-AUQNTNHCDSPWDV_on_P41594_WT,High,ChEMBL30,CHEMBL362217,Cc1nc(C#Cc2cnc(-c3ncccc3)cc2)cs1,AUQNTNHCDSPWDV,AUQNTNHCDSPWDV-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-14(11-20-12)7-5-13-6-8-16(18-10-13)15-4-2-3-9-17-15/h2-4,6,8-11H,1H3","""AuxInfo=1/0/N:1,15,14,16,6,18,5,17,13,8,19,2,7,4,11,10,12,9,3,20/rA:20CCNCCCCCNCCNCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AURFQZURADYOGD_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771621;CHEMBL1771622,Cc1cccc(-c2noc(C3CCCN(C(=O)C4CCC4)C3)n2)c1,AURFQZURADYOGD,AURFQZURADYOGD-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,4,20,13,3,19,21,5,12,14,24,22,2,18,6,11,7,10,16,23,8,15,17,9/E:(6,7)/rA:24CCCCCCCNOCCCCCNCOCCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;s19;s18s20;s11s15;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  6.160;  5.330,5.745,0.415,0.415,2.0,5.745,0.415
-AURFZBICLPNKBZ_on_O00591_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AURFZBICLPNKBZ_on_O14764_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856;CHEMBL3430052,PMID:25799373,2015.0,PMID:28753313;PMID:25799373,2017;2015,0;1,1;0,0,0,0,,=,  7.120;  7.660,7.39,0.27,0.27,2.0,7.39,0.27
-AURFZBICLPNKBZ_on_P14867_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL822946;CHEMBL3430053;CHEMBL4040854;CHEMBL3430052,PMID:9016329,1997.0,PMID:25799373;PMID:9016329;PMID:25799373;PMID:28753313;PMID:25799373,2015;1997;2015;2017;2015,0;0;0;0;1,1;1;1;1;0,0,0,0,,=,  7.120;  6.800;  6.620;  6.620;  7.660,6.9639999999999995,0.39299999999999996,0.19699999999999998,5.0,6.8,0.18
-AURFZBICLPNKBZ_on_P18505_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.660;  6.620;  7.120,7.132999999999999,0.425,0.3,3.0,7.12,0.5
-AURFZBICLPNKBZ_on_P18507_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854;CHEMBL822946;CHEMBL3430052,PMID:9016329,1997.0,PMID:28753313;PMID:9016329;PMID:25799373,2017;1997;2015,0;0;1,1;1;0,0,0,0,,=,  6.620;  6.800;  7.660,7.027,0.45399999999999996,0.321,3.0,6.8,0.18
-AURFZBICLPNKBZ_on_P28472_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL4040856,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2015;2017,0;0;1;0,1;1;0;1,0,0,0,,=,  6.620;  7.120;  7.660;  7.120,7.13,0.368,0.212,4.0,7.12,0.25
-AURFZBICLPNKBZ_on_P31644_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.660;  6.620;  7.120,7.132999999999999,0.425,0.3,3.0,7.12,0.5
-AURFZBICLPNKBZ_on_P34903_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.660;  7.120;  6.620,7.132999999999999,0.425,0.3,3.0,7.12,0.5
-AURFZBICLPNKBZ_on_P47869_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.620;  7.120;  7.660,7.132999999999999,0.425,0.3,3.0,7.12,0.5
-AURFZBICLPNKBZ_on_P47870_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL822946;CHEMBL4040854;CHEMBL3430053;CHEMBL3427980,PMID:9016329,1997.0,PMID:25799373;PMID:9016329;PMID:28753313;PMID:25799373;PMID:25799373,2015;1997;2017;2015;2015,1;0;0;0;0,0;1;1;1;1,0,0,0,,=,  7.660;  6.800;  6.620;  6.620;  7.120,6.9639999999999995,0.39299999999999996,0.19699999999999998,5.0,6.8,0.18
-AURFZBICLPNKBZ_on_P48169_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL4040856,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2015;2017,0;0;1;0,1;1;0;1,0,0,0,,=,  7.120;  6.620;  7.660;  7.120,7.13,0.368,0.212,4.0,7.12,0.25
-AURFZBICLPNKBZ_on_P78334_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AURFZBICLPNKBZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AURFZBICLPNKBZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AURFZBICLPNKBZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  7.120;  6.620;  7.660,7.132999999999999,0.425,0.3,3.0,7.12,0.5
-AURFZBICLPNKBZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL207538,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,AURFZBICLPNKBZ,AURFZBICLPNKBZ-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,20,16,21,12,2,11,13,8,4,7,19,17,22,3,14/rA:23CCOCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-AUSBOPQXKDERQI_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647580,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(Cl)c1,AUSBOPQXKDERQI,AUSBOPQXKDERQI-UHFFFAOYSA-N,"InChI=1S/C22H20ClFN4O2S/c1-4-31(29,30)15-6-7-16(19(23)10-15)17-9-14(5-8-20(17)24)18-11-26-27-22-21(18)25-12-28(22)13(2)3/h5-13H,4H2,1-3H3","""AuxInfo=1/0/N:1,23,24,2,25,7,8,26,11,31,14,20,22,12,6,9,10,13,29,27,18,17,30,28,19,15,16,21,4,5,3/E:(2,3)(29,30)/CRV:31.6/rA:31CCSOOCCCCCCCCCNNCCNCNCCCCCCFCClC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s29;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-AUSRFKVPUCQCCN_on_P14867_WT,Low,ChEMBL30,CHEMBL111198,CCc1c(N=C=O)c(CC)ccc1,AUSRFKVPUCQCCN,AUSRFKVPUCQCCN-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.600;  4.600,4.1,0.5,0.5,2.0,4.1,0.5
-AUSRFKVPUCQCCN_on_P18507_WT,Low,ChEMBL30,CHEMBL111198,CCc1c(N=C=O)c(CC)ccc1,AUSRFKVPUCQCCN,AUSRFKVPUCQCCN-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.600;  4.600,4.1,0.5,0.5,2.0,4.1,0.5
-AUSRFKVPUCQCCN_on_P47870_WT,Low,ChEMBL30,CHEMBL111198,CCc1c(N=C=O)c(CC)ccc1,AUSRFKVPUCQCCN,AUSRFKVPUCQCCN-UHFFFAOYSA-N,"InChI=1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.600;  4.600,4.1,0.5,0.5,2.0,4.1,0.5
-AUSVDSQFCRIAEX_on_Q14833_WT,High,ExCAPE-DB,56587912,Fc1ccc2[nH]c(-c3ccccn3)nc2c1,AUSVDSQFCRIAEX,AUSVDSQFCRIAEX-UHFFFAOYSA-N,"InChI=1S/C12H8FN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)","""AuxInfo=1/1/N:10,11,9,3,4,12,16,2,5,8,15,7,1,13,6,14/rA:16FCCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AUUPSFFSNGOHPV_on_Q13255_WT,High,ChEMBL30,CHEMBL3786739,Cc1c(C(=O)Nc2ccc(N3Cc4c(cccc4Cl)C3=O)cc2)occ1,AUUPSFFSNGOHPV,AUUPSFFSNGOHPV-UHFFFAOYSA-N,"InChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-13-5-7-14(8-6-13)23-11-16-15(20(23)25)3-2-4-17(16)21/h2-10H,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,16,15,17,8,23,9,22,26,25,12,2,7,10,14,13,18,3,4,20,19,6,11,5,21,24/E:(5,6)(7,8)/rA:26CCCCONCCCCNCCCCCCCClCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s11s14;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.610;  6.610,6.61,0.0,0.0,2.0,6.61,0.0
-AUWQGNKAKYHFEN_on_Q14416_WT,High,ChEMBL30,CHEMBL1096713,CC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,AUWQGNKAKYHFEN,AUWQGNKAKYHFEN-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-20(2,3)15-9-11-17(12-10-15)23-14-18-13-21(19(22)24-18)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,16,18,15,19,6,24,7,23,12,10,5,14,8,11,20,2,13,21,9,22/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:24CCCCCCCCOCCCNCCCCCCCOOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s11s20;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-AUXHDGOHOFFSHN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3902298,O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1)c1ccccn1,AUXHDGOHOFFSHN,AUXHDGOHOFFSHN-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,11,12,24,17,19,5,4,10,13,15,20,2,14,16,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCClCClCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-AUXZOHKLYLUPRZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,49782804;CHEMBL1257504,N#Cc1cc(N2CCCc3c(C2)nc(-c2ccccn2)o3)ccc1,AUXZOHKLYLUPRZ,AUXZOHKLYLUPRZ-UHFFFAOYSA-N,"InChI=1S/C19H16N4O/c20-12-14-5-3-6-15(11-14)23-10-4-8-18-17(13-23)22-19(24-18)16-7-1-2-9-21-16/h1-3,5-7,9,11H,4,8,10,13H2","""AuxInfo=1/0/N:17,18,23,8,24,22,16,9,19,7,4,2,12,3,5,15,11,10,14,1,20,13,6,21/rA:24NCCCCNCCCCCCNCCCCCCNOCCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s6s11;s11;d13;s14;d15;s16;d17;s18;s15d19;s10s14;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:516922;CHEMBL1259400,PMID:20809633,2010.0,PubChemAID:516922;PMID:20809633,2011;2010,0;1,0,0,0,1;0,,=,  7.244;  7.240,7.242000000000001,0.002,0.002,2.0,7.242000000000001,0.002
-AUYYCJSJGJYCDS_on_O00591_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_O14764_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P14867_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P18505_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P18507_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P28472_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P31644_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P34903_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P47869_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P47870_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P48169_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_P78334_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_Q16445_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYCJSJGJYCDS_on_Q99928_WT,Low,ChEMBL30,CHEMBL1544,NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O,AUYYCJSJGJYCDS,AUYYCJSJGJYCDS-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)","""AuxInfo=1/1/N:17,16,5,20,3,11,4,10,12,6,18,2,14,8,21,13,7,19,1,15,22,23,9/E:(3,4)(10,11)(17,18)(21,22)/rA:23NCCCCCICOCCCICOCCCICCOO/rB:s1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s11;s12;d12;s14;s14;s10d16;s8;s18;s4d18;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL840316,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-AUYYURKZHOUDGE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3930906,Cc1ccc(F)c(Nc2c3ncccc3n[nH]2)c1,AUYYURKZHOUDGE,AUYYURKZHOUDGE-UHFFFAOYSA-N,"InChI=1S/C13H11FN4/c1-8-4-5-9(14)11(7-8)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,13,14,3,4,12,18,2,5,15,7,10,9,6,11,8,16,17/rA:18CCCCCFCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s5;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-AUZWVLIWYTXJPL_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786738,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(nccn4)C3=O)cc2)occ1,AUZWVLIWYTXJPL,AUZWVLIWYTXJPL-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-10-4-7-26-16(10)17(24)22-11-2-3-14(12(19)8-11)23-9-13-15(18(23)25)21-6-5-20-13/h2-8H,9H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,23,22,26,18,17,25,8,13,2,7,9,14,11,15,3,4,20,10,19,16,6,12,5,21,24/rA:26CCCCONCCCClCNCCCNCCNCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-AVBSIKMUAFYZAV_on_O15399_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_O60391_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_Q05586_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_Q12879_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_Q13224_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVBSIKMUAFYZAV_on_Q14957_WT,Low,ChEMBL30,CHEMBL284028,Oc1nc2c(cc(Cl)c(Cl)c2)nc1O,AVBSIKMUAFYZAV,AVBSIKMUAFYZAV-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:6,11,7,9,5,4,13,2,8,10,12,3,14,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCNCCCCClCClCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s2d12;s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-AVDUGNCTZRCAHH_on_O00222_WT,High,ChEMBL30,CHEMBL375611,NC1(C(=O)O)CS(=O)(=O)C2C(C(=O)O)C21,AVDUGNCTZRCAHH,AVDUGNCTZRCAHH-UHFFFAOYSA-N,"InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,11,15,10,12,3,2,1,13,14,4,5,8,9,7/E:(9,10)(11,12)(13,14)/CRV:15.6/rA:15NCCOOCSOOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;d7;s7;s10;s11;d12;s12;s2s10s11;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL912291,PMID:17228865,2007.0,PMID:17228865,2007,0,1,0,0,0,,=,  4.320,4.32,0.0,0.0,1.0,4.32,0.0
-AVDUGNCTZRCAHH_on_Q14416_WT,High,ChEMBL30,CHEMBL375611,NC1(C(=O)O)CS(=O)(=O)C2C(C(=O)O)C21,AVDUGNCTZRCAHH,AVDUGNCTZRCAHH-UHFFFAOYSA-N,"InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,11,15,10,12,3,2,1,13,14,4,5,8,9,7/E:(9,10)(11,12)(13,14)/CRV:15.6/rA:15NCCOOCSOOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;d7;s7;s10;s11;d12;s12;s2s10s11;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL910519;CHEMBL910533,PMID:17228865,2007.0,PMID:17228865,2007,0,0;1,0,1;0,0,,=,  6.830;  7.630,7.23,0.4,0.4,2.0,7.23,0.4
-AVDUGNCTZRCAHH_on_Q14832_WT,High,ChEMBL30,CHEMBL375611,NC1(C(=O)O)CS(=O)(=O)C2C(C(=O)O)C21,AVDUGNCTZRCAHH,AVDUGNCTZRCAHH-UHFFFAOYSA-N,"InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,11,15,10,12,3,2,1,13,14,4,5,8,9,7/E:(9,10)(11,12)(13,14)/CRV:15.6/rA:15NCCOOCSOOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;d7;s7;s10;s11;d12;s12;s2s10s11;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL910532;CHEMBL907027,PMID:17228865,2007.0,PMID:17228865,2007,0,0;1,0,1;0,0,,=,  7.040;  7.320,7.18,0.14,0.14,2.0,7.18,0.14
-AVEIMNFUPXGCJQ_on_O15399_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_O60391_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVEIMNFUPXGCJQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL42430,COc1c(OC)cc2nc(O)c(O)nc2c1,AVEIMNFUPXGCJQ,AVEIMNFUPXGCJQ-UHFFFAOYSA-N,"InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,16,7,15,8,3,4,12,10,14,9,13,11,2,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16COCCOCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-AVIICAXRUXSBKI_on_P41594_WT,High,ChEMBL30,CHEMBL1779862,CC(C)N1CCc2c(ccc(C#Cc3ccccc3Cl)n2)C1=O,AVIICAXRUXSBKI,AVIICAXRUXSBKI-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O/c1-13(2)22-12-11-18-16(19(22)23)10-9-15(21-18)8-7-14-5-3-4-6-17(14)20/h3-6,9-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,13,12,10,9,6,5,2,14,11,8,19,7,22,20,21,4,23/E:(1,2)/rA:23CCCNCCCCCCCCCCCCCCCClNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s19;s7d11;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,1;0,0,0,0;1,0,,=,  5.600;  5.250,5.425,0.175,0.175,2.0,5.425,0.175
-AVJJIBOWEKYOER_on_P41594_WT,Low,ChEMBL30,CHEMBL388087,CN(C)c1c2c(ncc1)sc1c2ncn(Cc2ccccc2)c1=O,AVJJIBOWEKYOER,AVJJIBOWEKYOER-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,9,8,16,14,17,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(4,5)(6,7)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-AVJJIBOWEKYOER_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL388087;657896,CN(C)c1c2c(ncc1)sc1c2ncn(Cc2ccccc2)c1=O,AVJJIBOWEKYOER,AVJJIBOWEKYOER-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,9,8,16,14,17,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(4,5)(6,7)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  6.550;  6.551,6.55,0.001,0.001,2.0,6.55,0.001
-AVNBTTBHBVNICL_on_P41594_WT,High,ChEMBL30,CHEMBL2408564,CC1(C)CC(=O)c2c(C1)nc(Nc1ccc(C#N)cc1)nc2,AVNBTTBHBVNICL,AVNBTTBHBVNICL-UHFFFAOYSA-N,"InChI=1S/C17H16N4O/c1-17(2)7-14-13(15(22)8-17)10-19-16(21-14)20-12-5-3-11(9-18)4-6-12/h3-6,10H,7-8H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,3,15,19,14,20,9,4,17,22,16,13,7,8,5,11,2,18,21,12,10,6/E:(1,2)(3,4)(5,6)/rA:22CCCCCOCCCNCNCCCCCNCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s2s8;s8;d10;s11;s12;d13;s14;d15;s16;t17;s16;s13d19;s11;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-AVNIJTATMLPIDY_on_Q14416_WT,High,ChEMBL30,CHEMBL3763395,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1)cc2,AVNIJTATMLPIDY,AVNIJTATMLPIDY-UHFFFAOYSA-N,"InChI=1S/C18H21N3O/c1-18(2,3)12-21-15-11-10-14(13-8-6-5-7-9-13)19-16(15)20(4)17(21)22/h5-11H,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,16,20,21,22,6,15,14,11,12,3,7,13,2,5,4/E:(1,2,3)(6,7)(8,9)/rA:22CNCONCCCCCCCNCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-AVNXOZAFFHLRIQ_on_P31644_WT,High,ChEMBL30,CHEMBL3681588,Cc1c(COC(O)Cc2ccc(C(N)=O)cn2)c(-c2ccc(Cl)cn2)no1,AVNXOZAFFHLRIQ,AVNXOZAFFHLRIQ-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O4/c1-10-14(17(23-27-10)15-5-3-12(19)8-22-15)9-26-16(24)6-13-4-2-11(7-21-13)18(20)25/h2-5,7-8,16,24H,6,9H2,1H3,(H2,20,25)","""AuxInfo=1/1/N:1,11,21,10,20,8,16,24,4,2,12,22,9,3,19,6,18,13,23,14,17,25,26,7,15,5,27/rA:27CCCCOCOCCCCCCNOCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;s6;s6;s8;d9;s10;d11;s12;s13;d13;s12;s9d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-AVRJHPYDUIGZED_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118126;CHEMBL1951670,COc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)cc1,AVRJHPYDUIGZED,AVRJHPYDUIGZED-UHFFFAOYSA-N,"InChI=1S/C18H14N2O3S/c1-22-12-5-3-11(4-6-12)20-10-8-13-15-14(23-2)7-9-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3","""AuxInfo=1/0/N:1,17,5,23,4,24,18,9,19,8,6,3,10,15,14,11,13,21,20,7,22,2,16,12/E:(3,4)(5,6)/rA:24COCCCCNCCCCSCCCOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d15;s18;s13d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  8.201;  8.200,8.2,0.001,0.001,2.0,8.2,0.001
-AVTLMBPIMBWFQW_on_P41594_WT,High,ChEMBL30,CHEMBL2408579,Cc1cccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)c1,AVTLMBPIMBWFQW,AVTLMBPIMBWFQW-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(20-16)7-8-17(2,3)15(13)21/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,15,16,4,3,5,18,17,21,10,2,6,11,19,12,8,14,9,7,20,13/E:(2,3)/rA:21CCCCCCNCNCCCOCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s14;s14;s17;s11s18;s8d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410490,PMID:23856046,2013.0,PMID:23856046,2013,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-AVUGQCGDCQGXBZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684101,CN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O,AVUGQCGDCQGXBZ,AVUGQCGDCQGXBZ-UHFFFAOYSA-N,"InChI=1S/C18H15NO/c1-19-12-11-16-13-15(9-10-17(16)18(19)20)8-7-14-5-3-2-4-6-14/h2-6,9-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,8,7,4,3,18,12,9,5,6,19,2,20/E:(3,4)(5,6)/rA:20CNCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-AWDRAHDWMICWJM_on_P41594_WT,Medium,ChEMBL30,CHEMBL420533,COCc1cc(C#Cc2csc(C)n2)cnc1,AWDRAHDWMICWJM,AWDRAHDWMICWJM-UHFFFAOYSA-N,"InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3","""AuxInfo=1/0/N:13,1,7,8,5,15,17,3,10,12,6,4,9,16,14,2,11/rA:17COCCCCCCCCSCCNCNC/rB:s1;s2;s3;d4;s5;s6;t7;s8;d9;s10;s11;s12;s9d12;d6;s15;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715724;CHEMBL715728,PMID:12565928,2003.0,PMID:12565928,2003,1,0,0,0,0,,=,  7.330;  8.150,7.74,0.41,0.41,2.0,7.74,0.41
-AWEXOUBZDKRZHQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3974101,Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c1,AWEXOUBZDKRZHQ,AWEXOUBZDKRZHQ-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3S/c1-12-5-4-6-14(9-12)24(22,23)20-11-13(10-18-20)19-16(21)15-7-2-3-8-17-15/h2-11H,1H3,(H,19,21)","""AuxInfo=1/1/N:1,18,19,4,3,5,17,20,24,22,11,2,12,6,16,14,21,23,13,10,15,8,9,7/E:(22,23)/CRV:24.6/rA:24CCCCCCSOONCCNCOCCCCCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s10d22;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-AWFVJEIOLHTEOU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628098,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(Cl)o1,AWFVJEIOLHTEOU,AWFVJEIOLHTEOU-UHFFFAOYSA-N,"InChI=1S/C19H10Cl2N2O4/c20-13-9-10(22-17(24)15-7-8-16(21)27-15)5-6-14(13)23-18(25)11-3-1-2-4-12(11)19(23)26/h1-9H,(H,22,24)","""AuxInfo=1/1/N:14,15,13,16,5,6,23,24,21,4,12,11,19,7,22,25,2,17,9,20,26,3,8,1,18,10,27/E:(1,2)(3,4)(11,12)(18,19)(25,26)/rA:27OCNCCCCNCOCCCCCCCOCClCCCCCClO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-AWGRHEDNWXKCFJ_on_O00222_WT,Low,ChEMBL30,CHEMBL300330,CN1CC(N)(C(=O)O)CC1C(=O)O,AWGRHEDNWXKCFJ,AWGRHEDNWXKCFJ-UHFFFAOYSA-N,"InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,9,3,10,11,6,4,5,2,12,13,7,8/E:(10,11)(12,13)/rA:13CNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-AWGRHEDNWXKCFJ_on_P41594_WT,Low,ChEMBL30,CHEMBL300330,CN1CC(N)(C(=O)O)CC1C(=O)O,AWGRHEDNWXKCFJ,AWGRHEDNWXKCFJ-UHFFFAOYSA-N,"InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,9,3,10,11,6,4,5,2,12,13,7,8/E:(10,11)(12,13)/rA:13CNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-AWGRHEDNWXKCFJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL300330,CN1CC(N)(C(=O)O)CC1C(=O)O,AWGRHEDNWXKCFJ,AWGRHEDNWXKCFJ-UHFFFAOYSA-N,"InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,9,3,10,11,6,4,5,2,12,13,7,8/E:(10,11)(12,13)/rA:13CNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-AWGRHEDNWXKCFJ_on_Q14416_WT,Low,ChEMBL30,CHEMBL300330,CN1CC(N)(C(=O)O)CC1C(=O)O,AWGRHEDNWXKCFJ,AWGRHEDNWXKCFJ-UHFFFAOYSA-N,"InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,9,3,10,11,6,4,5,2,12,13,7,8/E:(10,11)(12,13)/rA:13CNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-AWGRHEDNWXKCFJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL300330,CN1CC(N)(C(=O)O)CC1C(=O)O,AWGRHEDNWXKCFJ,AWGRHEDNWXKCFJ-UHFFFAOYSA-N,"InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,9,3,10,11,6,4,5,2,12,13,7,8/E:(10,11)(12,13)/rA:13CNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-AWJWSLQQMDYKEK_on_Q14416_WT,High,ChEMBL30,CHEMBL4085882,CCc1cc(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)ccn1,AWJWSLQQMDYKEK,AWJWSLQQMDYKEK-UHFFFAOYSA-N,"InChI=1S/C23H20ClFN4O/c1-2-16-13-17(7-9-26-16)30-20-6-5-15(12-19(20)25)18-8-10-29-21(11-14-3-4-14)27-28-23(29)22(18)24/h5-10,12-14H,2-4,11H2,1H3","""AuxInfo=1/0/N:1,2,21,22,26,27,28,25,29,24,19,10,4,20,11,3,5,12,8,7,18,13,15,14,9,30,17,16,23,6/E:(3,4)/rA:30CCCCCOCCFCCCCClCNNCCCCCNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s12d24;s11;s7d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,0;1;0,1;0;0,0,,=,  7.730;  7.630;  7.000,7.452999999999999,0.32299999999999995,0.228,3.0,7.63,0.1
-AWNCAUIWMWPQMB_on_P14867_WT,Low,ChEMBL30,CHEMBL4174166,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)CC12C,AWNCAUIWMWPQMB,AWNCAUIWMWPQMB-UHFFFAOYSA-N,"InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,39,10,9,5,6,15,16,12,37,2,11,13,8,4,7,20,24,19,25,35,27,33,29,22,17,38,26,36,28,34,32,30,31,3,14,23,21/E:(21,22)(23,24)(29,30)(31,32)/CRV:35.5/rA:39CCOCCCCCCCCCCOCCCCCCOCOCCFCFCNN+N-CFCFCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s21;d22;s22;d24;s25;s25;s27;d27;s29;d30;d31;s29;s33;s24d33;s35;s20;s4s7s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4139381;CHEMBL4139379;CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  7.160;  6.300;  6.110,6.523,0.457,0.32299999999999995,3.0,6.3,0.19
-AWNCAUIWMWPQMB_on_P18507_WT,Low,ChEMBL30,CHEMBL4174166,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)CC12C,AWNCAUIWMWPQMB,AWNCAUIWMWPQMB-UHFFFAOYSA-N,"InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,39,10,9,5,6,15,16,12,37,2,11,13,8,4,7,20,24,19,25,35,27,33,29,22,17,38,26,36,28,34,32,30,31,3,14,23,21/E:(21,22)(23,24)(29,30)(31,32)/CRV:35.5/rA:39CCOCCCCCCCCCCOCCCCCCOCOCCFCFCNN+N-CFCFCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s21;d22;s22;d24;s25;s25;s27;d27;s29;d30;d31;s29;s33;s24d33;s35;s20;s4s7s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4139381;CHEMBL4139382;CHEMBL4139379,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  7.160;  6.110;  6.300,6.523,0.457,0.32299999999999995,3.0,6.3,0.19
-AWNCAUIWMWPQMB_on_P28472_WT,Low,ChEMBL30,CHEMBL4174166,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)CC12C,AWNCAUIWMWPQMB,AWNCAUIWMWPQMB-UHFFFAOYSA-N,"InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,39,10,9,5,6,15,16,12,37,2,11,13,8,4,7,20,24,19,25,35,27,33,29,22,17,38,26,36,28,34,32,30,31,3,14,23,21/E:(21,22)(23,24)(29,30)(31,32)/CRV:35.5/rA:39CCOCCCCCCCCCCOCCCCCCOCOCCFCFCNN+N-CFCFCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s21;d22;s22;d24;s25;s25;s27;d27;s29;d30;d31;s29;s33;s24d33;s35;s20;s4s7s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-AWNCAUIWMWPQMB_on_P47870_WT,Low,ChEMBL30,CHEMBL4174166,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)CC12C,AWNCAUIWMWPQMB,AWNCAUIWMWPQMB-UHFFFAOYSA-N,"InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,39,10,9,5,6,15,16,12,37,2,11,13,8,4,7,20,24,19,25,35,27,33,29,22,17,38,26,36,28,34,32,30,31,3,14,23,21/E:(21,22)(23,24)(29,30)(31,32)/CRV:35.5/rA:39CCOCCCCCCCCCCOCCCCCCOCOCCFCFCNN+N-CFCFCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s21;d22;s22;d24;s25;s25;s27;d27;s29;d30;d31;s29;s33;s24d33;s35;s20;s4s7s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4139381;CHEMBL4139379,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  7.160;  6.300,6.73,0.43,0.43,2.0,6.73,0.43
-AWOOMIRCBITDFK_on_P14867_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-AWOOMIRCBITDFK_on_P18507_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864003;CHEMBL864002;CHEMBL864005;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.480;  8.570; 10.000;  8.890,8.985,0.605,0.35,4.0,8.73,0.205
-AWOOMIRCBITDFK_on_P28472_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864002;CHEMBL864005;CHEMBL864003;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.570; 10.000;  8.480;  8.890,8.985,0.605,0.35,4.0,8.73,0.205
-AWOOMIRCBITDFK_on_P31644_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-AWOOMIRCBITDFK_on_P34903_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-AWOOMIRCBITDFK_on_P47869_WT,Low,ChEMBL30,CHEMBL436768,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1,AWOOMIRCBITDFK,AWOOMIRCBITDFK-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,29,28,19,12,21,9,11,20,17,14,13,23,10,5,7,2,18,24,22,8,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL864003,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-AWOSYYCAGCWGCT_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL213102;11414108,COc1cccc(OCC#Cc2cccc(C)n2)c1,AWOSYYCAGCWGCT,AWOSYYCAGCWGCT-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:17,1,14,5,10,15,13,11,4,6,9,19,16,12,3,7,18,2,8/rA:19COCCCCCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  6.400;  6.401,6.401,0.0,0.0,2.0,6.401,0.0
-AWOSYYCAGCWGCT_on_Q13255_WT,Low,ChEMBL30,CHEMBL213102,COc1cccc(OCC#Cc2cccc(C)n2)c1,AWOSYYCAGCWGCT,AWOSYYCAGCWGCT-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:17,1,14,5,10,15,13,11,4,6,9,19,16,12,3,7,18,2,8/rA:19COCCCCCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL864286,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AWQLLPVALMFTAN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3928057,O=C(c1c(F)cccc1F)N1CCn2nc(COc3ccccc3)cc2C1,AWQLLPVALMFTAN,AWQLLPVALMFTAN-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-17-7-4-8-18(22)19(17)20(26)24-9-10-25-15(12-24)11-14(23-25)13-27-16-5-2-1-3-6-16/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:22,21,23,7,20,24,6,8,12,13,25,27,17,16,26,19,4,9,3,2,5,10,15,11,14,1,18/E:(2,3)(5,6)(7,8)(17,18)(21,22)/rA:27OCCCFCCCCFNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s14d25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-AWQSDFYHCFZOJA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269131,NCCCNCCCCNCCCNC(=O)C(CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1,AWQSDFYHCFZOJA,AWQSDFYHCFZOJA-UHFFFAOYSA-N,"InChI=1S/C31H48N6O3/c32-18-11-21-33-19-9-10-20-34-22-12-24-36-31(40)28(37-30(39)27-15-5-2-6-16-27)17-7-8-23-35-29(38)25-26-13-3-1-4-14-26/h1-6,13-16,28,33-34H,7-12,17-25,32H2,(H,35,38)(H,36,40)(H,37,39)","""AuxInfo=1/1/N:29,38,28,30,37,39,19,20,7,8,3,12,27,31,36,40,18,2,6,9,4,11,21,13,25,26,35,17,23,33,15,1,5,10,22,14,32,24,34,16/E:(3,4)(5,6)(13,14)(15,16)/rA:40NCCCNCCCCNCCCNCOCCCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;s29;s26d30;s17;s32;d33;s33;d35;s36;d37;s38;s35d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-AWQSDFYHCFZOJA_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269131,NCCCNCCCCNCCCNC(=O)C(CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1,AWQSDFYHCFZOJA,AWQSDFYHCFZOJA-UHFFFAOYSA-N,"InChI=1S/C31H48N6O3/c32-18-11-21-33-19-9-10-20-34-22-12-24-36-31(40)28(37-30(39)27-15-5-2-6-16-27)17-7-8-23-35-29(38)25-26-13-3-1-4-14-26/h1-6,13-16,28,33-34H,7-12,17-25,32H2,(H,35,38)(H,36,40)(H,37,39)","""AuxInfo=1/1/N:29,38,28,30,37,39,19,20,7,8,3,12,27,31,36,40,18,2,6,9,4,11,21,13,25,26,35,17,23,33,15,1,5,10,22,14,32,24,34,16/E:(3,4)(5,6)(13,14)(15,16)/rA:40NCCCNCCCCNCCCNCOCCCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;s29;s26d30;s17;s32;d33;s33;d35;s36;d37;s38;s35d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-AWSWSDJGJTXACL_on_O15399_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_O60391_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_Q05586_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_Q12879_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_Q13224_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWSWSDJGJTXACL_on_Q14957_WT,Low,ChEMBL30,CHEMBL169695,Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1,AWSWSDJGJTXACL,AWSWSDJGJTXACL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,14,13,15,12,9,8,5,18,16,2,10,11,3,6,4,17,7/rA:18CCCNCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AWXYEIJJUZPXHD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109004,CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1CC,AWXYEIJJUZPXHD,AWXYEIJJUZPXHD-UHFFFAOYSA-N,"InChI=1S/C25H31N3O2/c1-6-19-8-9-20(14-23(19)29-7-2)25-27-24(21-12-16(3)26-17(4)13-21)22-10-11-30-18(5)15-28(22)25/h8-9,12-14,18H,6-7,10-11,15H2,1-5H3","""AuxInfo=1/0/N:30,1,13,16,23,29,2,27,26,19,20,11,17,5,24,12,15,22,28,6,10,18,4,9,7,14,8,25,3,21/E:(3,4)(12,13)(16,17)/rA:30CCOCCCCNCCCCCNCCCCCCOCCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;d6;s26;s4d27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-AXDXFTQUQRRHCN_on_P41594_WT,High,ChEMBL30,CHEMBL3644417,COC(C)c1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21,AXDXFTQUQRRHCN,AXDXFTQUQRRHCN-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-13(26-3)14-5-4-6-16-15(14)7-10-24-19(16)11-18(21-12-20(24)25)17-8-9-23(2)22-17/h4-6,8-9,11,13H,7,10,12H2,1-3H3","""AuxInfo=1/0/N:4,22,1,7,6,8,11,24,23,12,25,16,3,5,10,9,19,18,26,14,17,20,21,13,15,2/rA:26COCCCCCCCCCCNCOCNCCNNCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;d19;s20;s21;s21;s19d23;s18;s9s13w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-AXDXFTQUQRRHCN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644417,COC(C)c1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21,AXDXFTQUQRRHCN,AXDXFTQUQRRHCN-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-13(26-3)14-5-4-6-16-15(14)7-10-24-19(16)11-18(21-12-20(24)25)17-8-9-23(2)22-17/h4-6,8-9,11,13H,7,10,12H2,1-3H3","""AuxInfo=1/0/N:4,22,1,7,6,8,11,24,23,12,25,16,3,5,10,9,19,18,26,14,17,20,21,13,15,2/rA:26COCCCCCCCCCCNCOCNCCNNCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;d19;s20;s21;s21;s19d23;s18;s9s13w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-AXENZJZBRWBLOQ_on_P41594_WT,High,ChEMBL30,CHEMBL1808880,Cc1c(C2CCCN2C(=O)c2ccncc2)cnc(-c2cc(Cl)ccc2)c1,AXENZJZBRWBLOQ,AXENZJZBRWBLOQ-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O/c1-15-12-20(17-4-2-5-18(23)13-17)25-14-19(15)21-6-3-11-26(21)22(27)16-7-9-24-10-8-16/h2,4-5,7-10,12-14,21H,3,6,11H2,1H3","""AuxInfo=1/0/N:1,25,6,26,24,5,12,16,13,15,7,27,21,17,2,11,20,22,3,19,4,9,23,14,18,8,10/E:(7,8)(9,10)/rA:27CCCCCCCNCOCCCNCCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  7.170;  6.750,6.96,0.21,0.21,2.0,6.96,0.21
-AXIQDNJOMGBWRL_on_P41594_WT,High,ChEMBL30,CHEMBL3671840,Cc1cccc(NC(=O)C23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1,AXIQDNJOMGBWRL,AXIQDNJOMGBWRL-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)","""AuxInfo=1/1/N:1,4,20,12,3,19,21,5,11,13,26,25,24,27,2,18,22,6,16,8,10,14,23,28,7,15,17,9/rA:28CCCCCCNCOCCCCCNCOCCCCCClCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s14;s10s25;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706069;CHEMBL3706070,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,1;0,0,0,0;1,0,,=,  7.480;  6.300,6.89,0.59,0.59,2.0,6.89,0.59
-AXPGZURVLRWNBR_on_O00591_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_O14764_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P14867_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P18505_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P18507_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P28472_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P31644_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P34903_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P47869_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P47870_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P48169_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_P78334_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_Q16445_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPGZURVLRWNBR_on_Q99928_WT,Low,ChEMBL30,CHEMBL330116,Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12,AXPGZURVLRWNBR,AXPGZURVLRWNBR-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)","""AuxInfo=1/1/N:16,15,17,7,8,14,18,6,9,13,5,4,12,10,2,3,11,19,20,1/E:(2,3)(6,7)/rA:20OCNCCCCCCCNCCCCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s2s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-AXPJTEPRVLKIKC_on_Q13224_WT,High,ChEMBL30,CHEMBL3736502,O=[N+]([O-])c1ccc2CCC(NCCCCc3ccccc3)CCc2c1,AXPJTEPRVLKIKC,AXPJTEPRVLKIKC-UHFFFAOYSA-N,"InChI=1S/C21H26N2O2/c24-23(25)21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22H,4-5,8-10,12-13,15H2","""AuxInfo=1/0/N:19,18,20,14,13,17,21,15,8,23,6,9,22,5,12,25,16,7,24,10,4,11,2,1,3/E:(2,3)(6,7)(24,25)/CRV:23.5/rA:25ON+O-CCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10;s22;s7s23;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3737377,PMID:26531150,2015.0,PMID:26531150,2015,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-AXPKFWPLTXHKSI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787140,COc1c2CN(c3c(Cl)cc(NC(=O)c4c(C)cco4)cc3)C(=O)c2ccc1,AXPKFWPLTXHKSI,AXPKFWPLTXHKSI-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O4/c1-12-8-9-28-19(12)20(25)23-13-6-7-17(16(22)10-13)24-11-15-14(21(24)26)4-3-5-18(15)27-2/h3-10H,11H2,1-2H3,(H,23,25)","""AuxInfo=1/1/N:17,1,27,26,28,21,22,18,19,10,5,16,11,25,4,8,7,3,15,13,23,9,12,6,14,24,2,20/rA:28COCCCNCCClCCNCOCCCCCOCCCOCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;s16;d18;s15s19;s11;s7d21;s6;d23;s4s23;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-AXPVOPNKHPVYOZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936050,Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1,AXPVOPNKHPVYOZ,AXPVOPNKHPVYOZ-UHFFFAOYSA-N,"InChI=1S/C26H26FN5O/c1-17-14-32(16-29-17)21-8-10-31(11-9-21)15-18-2-7-22-23(19-3-5-20(27)6-4-19)13-25(26(28)33)30-24(22)12-18/h2-7,12-14,16,21H,8-11,15H2,1H3,(H2,28,33)","""AuxInfo=1/1/N:1,11,16,21,17,20,12,6,31,7,30,29,22,3,9,32,2,10,15,18,5,13,14,28,23,24,19,25,33,27,8,4,26/E:(3,4)(5,6)(8,9)(10,11)/rA:33CCCNCCCNCCCCCCCCCCFCCCCCNONCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s8;s5s30;s4;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-AXPZCYBTZQITGT_on_P41594_WT,High,ChEMBL30,CHEMBL3655598,N#Cc1cc(C(=O)Nc2cccc(Oc3cncnc3)n2)ccc1,AXPZCYBTZQITGT,AXPZCYBTZQITGT-UHFFFAOYSA-N,"InChI=1S/C17H11N5O2/c18-8-12-3-1-4-13(7-12)17(23)22-15-5-2-6-16(21-15)24-14-9-19-11-20-10-14/h1-7,9-11H,(H,21,22,23)","""AuxInfo=1/1/N:23,11,24,22,10,12,4,2,16,20,18,3,5,15,9,13,6,1,17,19,21,8,7,14/E:(9,10)(19,20)/rA:24NCCCCCONCCCCCOCCNCNCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-AXRFPZWPWOAYCB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106958,COc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(OC)c3)n2)cc(C)n1,AXRFPZWPWOAYCB,AXRFPZWPWOAYCB-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O3/c1-13-9-16(11-20(24-13)28-4)21-18-7-8-29-14(2)12-26(18)22(25-21)15-5-6-17(23)19(10-15)27-3/h5-6,9-11,14H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:28,12,23,1,17,18,8,9,26,24,4,13,27,11,16,5,19,7,21,3,6,15,20,29,25,14,22,2,10/rA:29COCCCCCCCOCCCNCCCCCClCOCCNCCCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s11;s11;s7s13;s14;s15;d16;s17;d18;s19;s19;s21;s22;s16d21;s6d15;d5;s26;s27;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-AXSNSFLHODCXTA_on_P31644_WT,High,ChEMBL30,CHEMBL3681532;CHEMBL3681531,Cc1c(COc2ccc(C(=O)NC(C)C(F)(F)F)cn2)c(-c2ccccc2)no1,AXSNSFLHODCXTA,AXSNSFLHODCXTA-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,14,25,24,26,23,27,8,7,19,4,2,13,22,9,3,6,21,10,15,16,17,18,20,12,28,11,5,29/E:(4,5)(6,7)(21,22,23)/rA:29CCCCOCCCCCONCCCFFFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s15;s15;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.720;  9.220,8.97,0.25,0.25,2.0,8.97,0.25
-AXSOUIICIQVSBZ_on_P41594_WT,Low,ChEMBL30,CHEMBL493571,Cc1nc(NC(=O)c2ccc(C#N)cc2)ccc1,AXSOUIICIQVSBZ,AXSOUIICIQVSBZ-UHFFFAOYSA-N,"InChI=1S/C14H11N3O/c1-10-3-2-4-13(16-10)17-14(18)12-7-5-11(9-15)6-8-12/h2-8H,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,17,18,16,10,14,9,15,12,2,11,8,4,6,13,3,5,7/E:(5,6)(7,8)/rA:18CCNCNCOCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;t12;s11;s8d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AXUNPUYTLRASPK_on_Q14833_WT,High,ChEMBL30,CHEMBL2023628,c1ccc(-n2cc(-c3ncnc4ccccc34)cn2)cc1,AXUNPUYTLRASPK,AXUNPUYTLRASPK-UHFFFAOYSA-N,InChI=1S/C17H12N4/c1-2-6-14(7-3-1)21-11-13(10-20-21)17-15-8-4-5-9-16(15)18-12-19-17/h1-12H,"""AuxInfo=1/0/N:1,2,21,15,14,3,20,16,13,18,6,10,7,4,17,12,8,11,9,19,5/E:(2,3)(6,7)/rA:21CCCCNCCCNCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s7;s5d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-AXUNTFVXAMALTJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3946043,CN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,AXUNTFVXAMALTJ,AXUNTFVXAMALTJ-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-20-10-14(11-21-16)5-4-13-6-8-15(19)9-7-13/h6-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,11,10,13,18,14,17,8,19,21,12,9,15,6,3,22,16,7,20,2,5,4/E:(1,2)(6,7)(8,9)(10,11)(20,21)/rA:24CNCONCNCCCCCCCCFCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-AXUWVXZRYBGRBW_on_Q05586_WT,Medium,ChEMBL30,CHEMBL113936,O=C1Nc2c(cc(C#CCCN3CCC(Cc4ccccc4)CC3)cc2)C1=O,AXUWVXZRYBGRBW,AXUWVXZRYBGRBW-UHFFFAOYSA-N,"InChI=1S/C24H24N2O2/c27-23-21-17-19(9-10-22(21)25-24(23)28)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,25,27,28)","""AuxInfo=1/1/N:20,19,21,9,10,18,22,8,25,26,14,23,11,13,24,16,6,17,7,15,5,4,27,2,3,12,28,1/E:(2,3)(6,7)(11,12)(14,15)/rA:28OCNCCCCCCCCNCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;t8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s7;s4d25;s2s5;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  5.750;  4.240,4.995,0.755,0.755,2.0,4.995,0.755
-AXVLPJHYYFHCHK_on_P41594_WT,High,ChEMBL30,CHEMBL2440659,Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1,AXVLPJHYYFHCHK,AXVLPJHYYFHCHK-UHFFFAOYSA-N,"InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,10,22,13,17,21,3,19,2,9,11,14,16,7,5,12,18,20,23,6,8,15,4/E:(5,6)(17,18)/rA:23CCCSCNCOCCCFCCOCCNCNCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d11;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d14;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2446290;CHEMBL2446282;CHEMBL3534986;CHEMBL3707570,PMID:22711749,2012.0,PMID:24074843;PMID:24074843;PMID:22711749;PATENT:US8796295B2,2013;2013;2012;2014,0;1;1;1,0,0,1;0;0;0,0,,=,  8.170;  7.310;  7.580;  7.640,7.675,0.312,0.18,4.0,7.61,0.165
-AXYSWEVLAQUWGT_on_P41594_WT,High,ChEMBL30,CHEMBL196536,COc1cccnc1Nc1nc(C)ccc1,AXYSWEVLAQUWGT,AXYSWEVLAQUWGT-UHFFFAOYSA-N,"InChI=1S/C12H13N3O/c1-9-5-3-7-11(14-9)15-12-10(16-2)6-4-8-13-12/h3-8H,1-2H3,(H,13,14,15)","""AuxInfo=1/1/N:13,1,15,5,14,4,16,6,12,3,10,8,7,11,9,2/rA:16COCCCCNCNCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;s12;d12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-AXYUBVZQTKVPPH_on_Q13255_WT,High,ChEMBL30,CHEMBL2205923,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,AXYUBVZQTKVPPH,AXYUBVZQTKVPPH-UHFFFAOYSA-N,"InChI=1S/C16H12BrN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,8,14,19,16,5,12,11,4,6,23,20,9,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCNSCCNCNCCCCBrCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-AXZSHLZFGWIKBF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909260,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2n1,AXZSHLZFGWIKBF,AXZSHLZFGWIKBF-UHFFFAOYSA-N,"InChI=1S/C29H20FN5O/c30-20-11-9-19(10-12-20)22-16-26(28(31)36)33-25-15-18(8-13-21(22)25)17-35-27-7-2-1-5-23(27)34-29(35)24-6-3-4-14-32-24/h1-16H,17H2,(H2,31,36)","""AuxInfo=1/1/N:30,31,23,24,29,22,32,16,8,13,9,12,15,25,34,5,18,17,7,10,14,6,28,21,35,4,33,2,20,11,1,26,36,27,19,3/E:(9,10)(11,12)/rA:36NCOCCCCCCCFCCCCCCCNCCCCCCNNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;d20;s27;d28;s29;d30;s31;s19s28d32;d17;s14s34;s4d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-AYAQMMIYEDUQLD_on_P41594_WT,Medium,ChEMBL30,CHEMBL248141,Cc1nc(NC(=O)c2ncc(-c3ccccn3)cc2)ccc1,AYAQMMIYEDUQLD,AYAQMMIYEDUQLD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c1-12-5-4-7-16(20-12)21-17(22)15-9-8-13(11-19-15)14-6-2-3-10-18-14/h2-11H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,14,15,21,22,13,20,18,19,16,10,2,11,12,8,4,6,17,9,3,5,7/rA:22CCNCNCOCNCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s11;s8d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL886825,PMID:17336520,2007.0,PMID:17336520,2007,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-AYAXBUXZTIVVBW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403651;71713608,CN(C)S(=O)(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,AYAXBUXZTIVVBW,AYAXBUXZTIVVBW-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2S2/c1-18(2)23(20,21)19-11-10-14-15(12-19)22-16(17-14)9-8-13-6-4-3-5-7-13/h3-7H,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,16,15,9,8,12,17,10,11,14,23,2,7,5,6,13,4/E:(1,2)(4,5)(6,7)(20,21)/CRV:23.6/rA:23CNCSOONCCCCCSCCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  8.240;  8.244,8.242,0.002,0.002,2.0,8.242,0.002
-AYEDEXXTWFFYKY_on_P41594_WT,High,ChEMBL30,CHEMBL1289895,O=C(CSCc1ccccc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1,AYEDEXXTWFFYKY,AYEDEXXTWFFYKY-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N2OS/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2","""AuxInfo=1/0/N:9,8,10,7,11,22,23,14,24,13,25,19,5,3,6,20,17,16,2,21,18,15,12,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCSCCCCCCCNCCNCCClCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;s17;d19;s20;s20;s16d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-AYFZLNGJEPJKMV_on_P31644_WT,High,ChEMBL30,CHEMBL3676523,Cc1c(COc2cccc(C#N)n2)c(-c2ccccc2)no1,AYFZLNGJEPJKMV,AYFZLNGJEPJKMV-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-12-15(11-21-16-9-5-8-14(10-18)19-16)17(20-22-12)13-6-3-2-4-7-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,18,17,19,8,16,20,9,7,11,4,2,15,10,3,6,14,12,13,21,5,22/E:(3,4)(6,7)/rA:22CCCCOCCCCCCNNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;t11;s6d10;s3;s14;d15;s16;d17;s18;s15d19;d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-AYNPWYKDGMIBKJ_on_P14867_WT,Low,ChEMBL30,CHEMBL55694,COc1ccc(-c2cc(C#N)c(OC)nc2-c2ccc(N(C)C)cc2)cc1,AYNPWYKDGMIBKJ,AYNPWYKDGMIBKJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-25(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(24-21)27-4)15-7-11-19(26-3)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:22,23,1,14,18,25,5,26,19,24,4,27,8,10,6,17,9,20,3,7,16,12,11,15,21,2,13/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCNCOCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s13;s12;s7d15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-AYNPWYKDGMIBKJ_on_P31644_WT,Low,ChEMBL30,CHEMBL55694,COc1ccc(-c2cc(C#N)c(OC)nc2-c2ccc(N(C)C)cc2)cc1,AYNPWYKDGMIBKJ,AYNPWYKDGMIBKJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-25(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(24-21)27-4)15-7-11-19(26-3)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:22,23,1,14,18,25,5,26,19,24,4,27,8,10,6,17,9,20,3,7,16,12,11,15,21,2,13/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCNCOCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s13;s12;s7d15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-AYNPWYKDGMIBKJ_on_P34903_WT,Low,ChEMBL30,CHEMBL55694,COc1ccc(-c2cc(C#N)c(OC)nc2-c2ccc(N(C)C)cc2)cc1,AYNPWYKDGMIBKJ,AYNPWYKDGMIBKJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-25(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(24-21)27-4)15-7-11-19(26-3)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:22,23,1,14,18,25,5,26,19,24,4,27,8,10,6,17,9,20,3,7,16,12,11,15,21,2,13/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCNCOCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s13;s12;s7d15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-AYNPWYKDGMIBKJ_on_P47869_WT,Low,ChEMBL30,CHEMBL55694,COc1ccc(-c2cc(C#N)c(OC)nc2-c2ccc(N(C)C)cc2)cc1,AYNPWYKDGMIBKJ,AYNPWYKDGMIBKJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-25(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(24-21)27-4)15-7-11-19(26-3)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:22,23,1,14,18,25,5,26,19,24,4,27,8,10,6,17,9,20,3,7,16,12,11,15,21,2,13/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCNCOCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s13;s12;s7d15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-AYOGHBUPIKZKBG_on_P41594_WT,Medium,ChEMBL30,CHEMBL435503,Fc1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1,AYOGHBUPIKZKBG,AYOGHBUPIKZKBG-UHFFFAOYSA-N,InChI=1S/C18H11F2N5/c19-14-5-3-4-12(8-14)13-9-15(20)11-16(10-13)25-23-18(22-24-25)17-6-1-2-7-21-17/h1-11H,"""AuxInfo=1/0/N:21,20,4,5,3,22,19,25,8,24,11,6,7,2,9,12,17,16,1,10,18,15,23,14,13/rA:25FCCCCCCCCFCCNNNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;s7d12;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-AYOYTMHHYXVDAP_on_P41594_WT,High,ChEMBL30,CHEMBL3910009,N#Cc1c(-c2ccccc2)c2c(nc1-c1ccc(Cl)cc1)[nH]nc2-c1ccccc1,AYOYTMHHYXVDAP,AYOYTMHHYXVDAP-UHFFFAOYSA-N,"InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)23-20(15-27)21(16-7-3-1-4-8-16)22-24(29-30-25(22)28-23)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)","""AuxInfo=1/1/N:8,28,7,9,27,29,6,10,26,30,16,21,17,20,2,5,25,15,18,3,4,11,14,24,12,19,1,13,23,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30NCCCCCCCCCCCNCCCCCClCCNNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s3d13;s14;d15;s16;d17;s18;s18;s15d20;s12;s22;s11d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-AYRJXCIMSHQLPG_on_P14867_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-AYRJXCIMSHQLPG_on_P18507_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273618;CHEMBL1273619;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.700;  5.840;  7.770;  7.060;  7.230,6.92,0.6409999999999999,0.32,5.0,7.06,0.36
-AYRJXCIMSHQLPG_on_P28472_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273617;CHEMBL1273619;CHEMBL1273616;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.770;  7.060;  5.840;  7.230;  6.700,6.92,0.6409999999999999,0.32,5.0,7.06,0.36
-AYRJXCIMSHQLPG_on_P31644_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-AYRJXCIMSHQLPG_on_P34903_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-AYRJXCIMSHQLPG_on_P47869_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-AYRJXCIMSHQLPG_on_P48169_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-AYRJXCIMSHQLPG_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270143,C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,AYRJXCIMSHQLPG,AYRJXCIMSHQLPG-UHFFFAOYSA-N,"InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,8,9,6,5,27,14,25,19,7,26,13,10,15,12,16,20,21,22,23,24,11,17,18,2/E:(1,2,3)(20,21,22)/rA:27CSiCCCCCCCCNCCCCCOOCCFFFNCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s16;s18;s19;s20;s20;s20;s15;s12d24;s10s13;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-AYVAVBFBOCMUHW_on_P14867_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-AYVAVBFBOCMUHW_on_P18507_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680293;CHEMBL681090;CHEMBL685340;CHEMBL683015,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  8.370;  7.320;  8.850;  7.720,8.065,0.588,0.34,4.0,8.045,0.525
-AYVAVBFBOCMUHW_on_P28472_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681090;CHEMBL683015;CHEMBL680293;CHEMBL685340,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  7.320;  7.720;  8.370;  8.850,8.065,0.588,0.34,4.0,8.045,0.525
-AYVAVBFBOCMUHW_on_P31644_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-AYVAVBFBOCMUHW_on_P34903_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681090,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-AYVAVBFBOCMUHW_on_P47869_WT,Low,ChEMBL30,CHEMBL17424,CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1,AYVAVBFBOCMUHW,AYVAVBFBOCMUHW-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,22,21,13,14,24,4,23,18,5,7,17,8,11,2,12,20,19,6,15,16,9,10/E:(1,2)/rA:24CCCCCOCCSSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;d13;s11s14;s8;s16;s17;d18;s19;s20;s18d21;s7d17;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683015,PMID:11881985,2002.0,PMID:11881985,2002,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-AYVLYDAJDALPHK_on_P41594_WT,High,ChEMBL30,CHEMBL191039,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1,AYVLYDAJDALPHK,AYVLYDAJDALPHK-UHFFFAOYSA-N,"InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1-16H,(H,23,26)","""AuxInfo=1/1/N:10,24,18,9,11,23,25,17,19,8,12,22,26,16,20,5,7,21,15,6,4,2,3,13,14,1/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26OCNCCCCCCCCCNNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-AYYDRSULPHUZRF_on_P41594_WT,High,ChEMBL30,CHEMBL2408562,N#Cc1cc(F)cc(Nc2ncc3C(=O)CCCc3n2)c1,AYYDRSULPHUZRF,AYYDRSULPHUZRF-UHFFFAOYSA-N,"InChI=1S/C15H11FN4O/c16-10-4-9(7-17)5-11(6-10)19-15-18-8-12-13(20-15)2-1-3-14(12)21/h4-6,8H,1-3H2,(H,18,19,20)","""AuxInfo=1/1/N:17,18,16,4,21,7,2,12,3,5,8,13,19,14,10,6,1,11,9,20,15/rA:21NCCCCFCCNCNCCCOCCCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;s9;d10;s11;d12;s13;d14;s14;s16;s17;s13s18;s10d19;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-AYYOBMISYJRENX_on_P41594_WT,High,ChEMBL30,CHEMBL596139,O=C(c1ccc(Nc2ccccc2)nc1)N1CCCCC1,AYYOBMISYJRENX,AYYOBMISYJRENX-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,18,19)","""AuxInfo=1/1/N:11,19,10,12,18,20,9,13,4,5,17,21,15,3,8,6,2,14,7,16,1/E:(3,4)(5,6)(7,8)(11,12)/rA:21OCCCCCNCCCCCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;s3d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-AZCTWLTXICQZTD_on_P31644_WT,High,ChEMBL30,CHEMBL3681418,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccc(F)cc2)no1,AZCTWLTXICQZTD,AZCTWLTXICQZTD-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c1-14-18(20(24-28-14)15-2-5-17(22)6-3-15)13-27-19-7-4-16(12-23-19)21(26)25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,22,27,8,23,26,7,13,17,14,16,18,4,2,21,9,24,3,6,20,10,25,19,28,12,11,5,29,15/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCOCCCCCONCCSCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-AZHSOFPRXQUGTL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1630077;44136507,Cc1c(C(C)OC(=O)Nc2ccccc2)sc2nncn12,AZHSOFPRXQUGTL,AZHSOFPRXQUGTL-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2S/c1-9-12(21-13-17-15-8-18(9)13)10(2)20-14(19)16-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,19)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,20,2,4,10,3,17,7,19,9,18,21,8,6,16/E:(4,5)(6,7)/rA:21CCCCCOCONCCCCCCSCNNCN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082;PubChemAID:546886,PMID:21051228,2010.0,PMID:21051228;PubChemAID:546886,2010;2011,1;0,0,0,0,0;1,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-AZHZTMZPROULDD_on_P41594_WT,High,ChEMBL30,CHEMBL2151492,Cc1cc(-c2noc(C3CN(C(=O)C4CCOCC4)C3)n2)ccc1,AZHZTMZPROULDD,AZHZTMZPROULDD-UHFFFAOYSA-N,"InChI=1S/C18H21N3O3/c1-12-3-2-4-14(9-12)16-19-17(24-20-16)15-10-21(11-15)18(22)13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,23,24,22,15,19,16,18,3,10,20,2,14,4,9,5,8,12,21,6,11,13,17,7/E:(5,6)(7,8)(10,11)/rA:24CCCCCNOCCCNCOCCCOCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s9s11;s5d8;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-AZIRFKLEFANUIC_on_P14867_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-AZIRFKLEFANUIC_on_P18507_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150;  8.600;  7.520;  7.680,7.987,0.423,0.244,4.0,7.915,0.315
-AZIRFKLEFANUIC_on_P28472_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680;  7.520;  8.150;  8.600,7.987,0.423,0.244,4.0,7.915,0.315
-AZIRFKLEFANUIC_on_P31644_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-AZIRFKLEFANUIC_on_P34903_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-AZIRFKLEFANUIC_on_P47869_WT,Low,ChEMBL30,CHEMBL359906,COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,AZIRFKLEFANUIC,AZIRFKLEFANUIC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O3/c1-32-25(31)18-8-5-13-26-19(18)14-33-24-21-16-11-9-15(10-12-16)20(21)23-28-27-22(30(23)29-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,32,14,18,33,26,28,25,29,31,7,27,24,13,5,6,22,23,12,21,9,3,30,19,20,10,11,4,2,8/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCOCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;d30;s31;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-AZJHYPQKIYLNJR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3964806,CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)O1,AZJHYPQKIYLNJR,AZJHYPQKIYLNJR-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2/c1-18(2)10-11-21(17(22)23-18)16-13-19-15(12-20-16)9-8-14-6-4-3-5-7-14/h3-7,12-13H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,4,5,19,8,13,10,7,21,2,9,20,6,22,23/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCNCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-AZJQUEMFTHBOCO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485336;CHEMBL484731;CHEMBL484340,CC1CN(Cc2ccc(OC(C)C3CCCCC3)cc2)C(=O)O1,AZJQUEMFTHBOCO,AZJQUEMFTHBOCO-UHFFFAOYSA-N,"InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3","""AuxInfo=1/0/N:1,12,16,15,17,14,18,7,20,8,19,3,5,2,11,6,13,9,21,4,22,23,10/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCCNCCCCCOCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s11;s13;s14;s15;s16;s13s17;s9;s6d19;s4;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.660;  8.100;  8.300,8.02,0.267,0.18899999999999997,3.0,8.1,0.2
-AZKCYSCBPAJCPT_on_O15399_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_O60391_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_Q05586_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_Q12879_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_Q13224_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKCYSCBPAJCPT_on_Q14957_WT,Low,ChEMBL30,CHEMBL166991,Nc1ccnc(N2CCc3c(cccc3)C2)c1,AZKCYSCBPAJCPT,AZKCYSCBPAJCPT-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,15,12,3,9,4,8,17,16,10,11,2,6,1,5,7/rA:17NCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-AZKKOKFQFYORRU_on_P41594_WT,High,ChEMBL30,CHEMBL3655620,O=C(Nc1cncc(Oc2cccnc2)c1)c1cc(Br)ccc1,AZKKOKFQFYORRU,AZKKOKFQFYORRU-UHFFFAOYSA-N,"InChI=1S/C17H12BrN3O2/c18-13-4-1-3-12(7-13)17(22)21-14-8-16(11-20-9-14)23-15-5-2-6-19-10-15/h1-11H,(H,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,13,18,16,5,15,7,17,19,4,10,8,2,20,14,6,3,1,9/rA:23OCNCCNCCOCCCCNCCCCCBrCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-AZKRKWMJSCDPGH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3907429,Clc1cccc(Nc2c3ncccc3n[nH]2)c1,AZKRKWMJSCDPGH,AZKRKWMJSCDPGH-UHFFFAOYSA-N,"InChI=1S/C12H9ClN4/c13-8-3-1-4-9(7-8)15-12-11-10(16-17-12)5-2-6-14-11/h1-7H,(H2,15,16,17)","""AuxInfo=1/1/N:4,12,3,5,13,11,17,2,6,14,9,8,1,10,7,15,16/rA:17ClCCCCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-AZLLXOVNVMQRNP_on_P14867_WT,Low,ChEMBL30,CHEMBL203591,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,AZLLXOVNVMQRNP,AZLLXOVNVMQRNP-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-8-9-27-16(11-24-18(27)26-17)15-7-3-6-14(25-15)13-5-2-1-4-12(13)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,17,20,21,22,23,1,16,27,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-AZLLXOVNVMQRNP_on_P18507_WT,Low,ChEMBL30,CHEMBL203591,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,AZLLXOVNVMQRNP,AZLLXOVNVMQRNP-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-8-9-27-16(11-24-18(27)26-17)15-7-3-6-14(25-15)13-5-2-1-4-12(13)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,17,20,21,22,23,1,16,27,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.340;  9.440,9.39,0.05,0.05,2.0,9.39,0.05
-AZLLXOVNVMQRNP_on_P28472_WT,Low,ChEMBL30,CHEMBL203591,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,AZLLXOVNVMQRNP,AZLLXOVNVMQRNP-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-8-9-27-16(11-24-18(27)26-17)15-7-3-6-14(25-15)13-5-2-1-4-12(13)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,17,20,21,22,23,1,16,27,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.440;  9.340,9.39,0.05,0.05,2.0,9.39,0.05
-AZLLXOVNVMQRNP_on_P34903_WT,Low,ChEMBL30,CHEMBL203591,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,AZLLXOVNVMQRNP,AZLLXOVNVMQRNP-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-8-9-27-16(11-24-18(27)26-17)15-7-3-6-14(25-15)13-5-2-1-4-12(13)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,17,20,21,22,23,1,16,27,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-AZMYNGIYMRISBA_on_Q14416_WT,High,ChEMBL30,CHEMBL603443,Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2c1cccc2,AZMYNGIYMRISBA,AZMYNGIYMRISBA-UHFFFAOYSA-N,"InChI=1S/C20H21F3N4/c1-25-18-9-5-3-7-16(18)24-19(25)14-26-10-12-27(13-11-26)17-8-4-2-6-15(17)20(21,22)23/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,12,26,11,25,13,27,10,24,6,20,7,19,4,14,22,9,23,3,15,16,17,18,21,2,5,8/E:(10,11)(12,13)(21,22,23)/rA:27CNCCNCCNCCCCCCCFFFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s14;s15;s15;s15;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-AZROCWGUGXAZOT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3958804,Clc1cc(Cl)cc(Nc2c3ncccc3n[nH]2)c1,AZROCWGUGXAZOT,AZROCWGUGXAZOT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2N4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:13,14,12,3,6,18,4,2,7,15,10,9,5,1,11,8,16,17/E:(5,6)(7,8)(13,14)/rA:18ClCCCClCCNCCNCCCCNNC/rB:s1;d2;s3;s4;d4;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-AZUIZRZHYQEQLC_on_P41594_WT,High,ChEMBL30,CHEMBL3655639,COc1ccnc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1,AZUIZRZHYQEQLC,AZUIZRZHYQEQLC-UHFFFAOYSA-N,"InChI=1S/C16H13N5O3/c1-23-12-2-3-20-15(5-12)16(22)21-11-4-13(7-17-6-11)24-14-8-18-10-19-9-14/h2-10H,1H3,(H,21,22)","""AuxInfo=1/1/N:1,4,5,23,24,12,14,18,22,20,11,3,15,17,7,8,13,19,21,6,10,9,2,16/E:(8,9)(18,19)/rA:24COCCCNCCONCCNCCOCCNCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s11d15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.350;  6.520,6.435,0.085,0.085,2.0,6.435,0.085
-BAAXXHKRHDLZMK_on_P41594_WT,High,ChEMBL30,CHEMBL2403674,CC(C)CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2,BAAXXHKRHDLZMK,BAAXXHKRHDLZMK-UHFFFAOYSA-N,"InChI=1S/C19H22N2S/c1-15(2)10-12-21-13-11-17-18(14-21)22-19(20-17)9-8-16-6-4-3-5-7-16/h3-7,15H,10-14H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,15,14,4,8,5,7,11,2,16,9,10,13,22,6,12/E:(1,2)(4,5)(6,7)/rA:22CCCCCNCCCCCSCCCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s6s10;s10;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BAFJECAQHALABW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3897362,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(F)nc2)c3)cn1,BAFJECAQHALABW,BAFJECAQHALABW-UHFFFAOYSA-N,"InChI=1S/C19H15FN6O/c1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-3,5-10H,4H2,1H3,(H2,21,27)","""AuxInfo=1/1/N:1,15,14,17,25,6,19,24,26,3,16,18,4,13,5,12,7,8,21,22,9,20,23,27,11,2,10/E:(7,8)(22,23)/rA:27CNCCCCCCNONCCCCCCCCNCFNCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s12d16;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-BAFPXHFNDNHTER_on_P41594_WT,High,ChEMBL30,CHEMBL2408565,Cc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1,BAFPXHFNDNHTER,BAFPXHFNDNHTER-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h3-6,9,11H,7-8H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,15,3,20,4,19,16,13,9,2,14,5,10,17,11,7,8,6,18,12/E:(3,4)(5,6)/rA:20CCCCCNCNCCCOCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s14;s10s16;s7d17;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  7.030;  7.070;  6.770,6.957000000000001,0.133,0.094,3.0,7.03,0.04
-BAIIBBAGVSWQTN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111773,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C)n1,BAIIBBAGVSWQTN,BAIIBBAGVSWQTN-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-8-16(4-5-20(13)31-23(25)26)22-28-21(17-9-14(2)27-15(3)10-17)19-6-7-30-18(11-24)12-29(19)22/h4-5,8-10,18,23H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:25,1,30,17,18,7,8,26,3,28,11,13,24,2,29,16,4,10,6,19,5,15,21,12,22,23,31,27,14,9,20/E:(2,3)(9,10)(14,15)(25,26)/rA:31CCCCCCCCOCCFCNCCCCCOCFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-BALGGUJCACDSLM_on_P14867_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-BALGGUJCACDSLM_on_P18507_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.110;  7.300;  7.400;  8.050,7.465,0.353,0.204,4.0,7.35,0.145
-BALGGUJCACDSLM_on_P28472_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.400;  8.050;  7.300;  7.110,7.465,0.353,0.204,4.0,7.35,0.145
-BALGGUJCACDSLM_on_P31644_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-BALGGUJCACDSLM_on_P34903_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-BALGGUJCACDSLM_on_P47869_WT,Low,ChEMBL30,CHEMBL179924,CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,BALGGUJCACDSLM,BALGGUJCACDSLM-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-14-24-18(27-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,3,8,5,28,25,14,7,23,24,13,22,10,6,20,21,31,11,4,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-BANQANUDHCJRHX_on_Q13255_WT,High,ChEMBL30,CHEMBL3787654,Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1,BANQANUDHCJRHX,BANQANUDHCJRHX-UHFFFAOYSA-N,"InChI=1S/C20H13Cl3N2O3/c1-10-7-8-28-18(10)19(26)24-13-5-6-14(17(23)16(13)22)25-9-11-3-2-4-12(21)15(11)20(25)27/h2-8H,9H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,22,23,21,25,24,28,27,14,2,15,19,7,12,16,8,10,3,4,17,20,9,11,6,13,5,18,26/rA:28CCCCONCCClCClCNCCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;s10;d10;s12;s13;s14;d15;s13s16;d17;s16;s19;d19;s21;s15d22;s12;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.180;  5.190,5.185,0.005,0.005,2.0,5.185,0.005
-BARKOPROXAJBFB_on_P41594_WT,High,ChEMBL30,CHEMBL194407,C(#Cc1ncccc1)C1=CCC(Nc2cnccc2)CC1,BARKOPROXAJBFB,BARKOPROXAJBFB-UHFFFAOYSA-N,"InChI=1S/C18H17N3/c1-2-13-20-16(4-1)9-6-15-7-10-17(11-8-15)21-18-5-3-12-19-14-18/h1-5,7,12-14,17,21H,8,10-11H2","""AuxInfo=1/0/N:7,6,18,8,19,1,10,21,2,11,20,17,5,15,9,3,12,14,16,4,13/rA:21CCCNCCCCCCCCNCCNCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-BARMYQHAEVRRFP_on_P14867_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BARMYQHAEVRRFP_on_P18507_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273619;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  6.000;  6.000;  6.000,6.0,0.0,0.0,4.0,6.0,0.0
-BARMYQHAEVRRFP_on_P28472_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273617;CHEMBL1273619;CHEMBL1273616;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  6.000;  6.000;  6.000,6.0,0.0,0.0,4.0,6.0,0.0
-BARMYQHAEVRRFP_on_P31644_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BARMYQHAEVRRFP_on_P34903_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BARMYQHAEVRRFP_on_P47869_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BARMYQHAEVRRFP_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270740,CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,BARMYQHAEVRRFP,BARMYQHAEVRRFP-UHFFFAOYSA-N,"InChI=1S/C16H13F3N2O2/c1-2-14(16(17,18)19)23-15(22)12-7-10-9-5-3-4-6-11(9)21-13(10)8-20-12/h3-8,14,21H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,9,13,18,12,7,10,3,5,20,21,22,23,8,11,6,4/E:(17,18,19)/rA:23CCCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-BASZDIYJQVPYAG_on_P41594_WT,High,ChEMBL30,CHEMBL564781,CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)nc2)CC1,BASZDIYJQVPYAG,BASZDIYJQVPYAG-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-21-11-13-22(14-12-21)19(23)17-8-10-18(20-15-17)9-7-16-5-3-2-4-6-16/h2-6,8,10,15H,11-14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,9,12,10,3,23,4,22,21,14,8,11,6,20,2,5,7/E:(3,4)(5,6)(11,12)(13,14)/rA:23CNCCNCOCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s5;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756,PMID:19443216,2009.0,PMID:19443216,2009,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-BAZUDQMMSJLVLJ_on_P41594_WT,High,ChEMBL30,CHEMBL2069395,O=C1COc2c(cccc2)N1CCc1nc(-c2cccc(Cl)c2)no1,BAZUDQMMSJLVLJ,BAZUDQMMSJLVLJ-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O3/c19-13-5-3-4-12(10-13)18-20-16(25-21-18)8-9-22-14-6-1-2-7-15(14)24-11-17(22)23/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:8,9,19,18,20,7,10,13,12,23,3,17,21,6,5,14,2,16,22,15,24,11,1,4,25/rA:25OCCOCCCCCCNCCCNCCCCCCClCNO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2s6;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-BBCTXYKYQHGQLG_on_P14867_WT,Low,ChEMBL30,CHEMBL369093,c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1,BBCTXYKYQHGQLG,BBCTXYKYQHGQLG-UHFFFAOYSA-N,"InChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,2,12,16,13,15,5,25,22,4,20,21,19,7,10,3,18,17,8,11,9,14,6/E:(4,5)(6,7)(9,10)(11,12)/rA:29CCNCCOCNNCNCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BBCTXYKYQHGQLG_on_P31644_WT,Low,ChEMBL30,CHEMBL369093,c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1,BBCTXYKYQHGQLG,BBCTXYKYQHGQLG-UHFFFAOYSA-N,"InChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,2,12,16,13,15,5,25,22,4,20,21,19,7,10,3,18,17,8,11,9,14,6/E:(4,5)(6,7)(9,10)(11,12)/rA:29CCNCCOCNNCNCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BBCTXYKYQHGQLG_on_P34903_WT,Low,ChEMBL30,CHEMBL369093,c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1,BBCTXYKYQHGQLG,BBCTXYKYQHGQLG-UHFFFAOYSA-N,"InChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,2,12,16,13,15,5,25,22,4,20,21,19,7,10,3,18,17,8,11,9,14,6/E:(4,5)(6,7)(9,10)(11,12)/rA:29CCNCCOCNNCNCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BBCTXYKYQHGQLG_on_P47869_WT,Low,ChEMBL30,CHEMBL369093,c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1,BBCTXYKYQHGQLG,BBCTXYKYQHGQLG-UHFFFAOYSA-N,"InChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,2,12,16,13,15,5,25,22,4,20,21,19,7,10,3,18,17,8,11,9,14,6/E:(4,5)(6,7)(9,10)(11,12)/rA:29CCNCCOCNNCNCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11s15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BBGQXRGCVLXCQO_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11213605;CHEMBL181364,CCCC1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cccc(CSc3ccncc3)c1)c2,BBGQXRGCVLXCQO,BBGQXRGCVLXCQO-UHFFFAOYSA-N,"InChI=1S/C25H23Cl2NO2S/c1-2-4-18-12-19-13-21(23(26)24(27)22(19)25(18)29)30-14-16-5-3-6-17(11-16)15-31-20-7-9-28-10-8-20/h3,5-11,13,18H,2,4,12,14-15H2,1H3","""AuxInfo=1/0/N:1,2,19,3,18,20,25,29,26,28,30,5,31,16,22,17,21,4,6,24,14,7,12,10,8,13,11,27,9,15,23/E:(7,8)(9,10)/rA:31CCCCCCCCOCClCClCOCCCCCCCSCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;s12;s14;s15;s16;d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;s6d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  6.730;  6.730,6.73,0.0,0.0,2.0,6.73,0.0
-BBGSOFARYXYVNU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3908290,CC(C)C1CCC(Nc2c3ncccc3n[nH]2)CC1,BBGSOFARYXYVNU,BBGSOFARYXYVNU-UHFFFAOYSA-N,"InChI=1S/C15H22N4/c1-10(2)11-5-7-12(8-6-11)17-15-14-13(18-19-15)4-3-9-16-14/h3-4,9-12H,5-8H2,1-2H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,3,13,14,5,19,6,18,12,2,4,7,15,10,9,11,8,16,17/E:(1,2)(5,6)(7,8)/rA:19CCCCCCCNCCNCCCCNNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s7;s4s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-BBGSZCOCMWDNJV_on_P41594_WT,Low,ChEMBL30,CHEMBL1784054,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,BBGSZCOCMWDNJV,BBGSZCOCMWDNJV-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,22,5,11,9,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCNSCCNCNCCCCClCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-BBGSZCOCMWDNJV_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54579958;CHEMBL1784054,C=C(C)CNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,BBGSZCOCMWDNJV,BBGSZCOCMWDNJV-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,8,25,2,21,18,11,12,13,6,10,15,22,5,7,9,26,17,16,14/E:(3,4)(5,6)/rA:26CCCCNCNCNCCCCSCONCCCCClCCCN/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s11;d12;s10s13;s13;d15;s15;s17;d18;s19;d20;s21;s21;s18d23;s17;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.114;  8.110,8.112,0.002,0.002,2.0,8.112,0.002
-BBMHENISQZYUSJ_on_Q14416_WT,High,ChEMBL30,CHEMBL183319,Cc1c(OCCCCSc2ccncc2)ccc(C(=O)CC(C)C)c1O,BBMHENISQZYUSJ,BBMHENISQZYUSJ-UHFFFAOYSA-N,"InChI=1S/C21H27NO3S/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)25-12-4-5-13-26-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,6,7,17,16,11,15,12,14,5,8,21,22,2,10,18,19,3,25,13,20,26,4,9/E:(1,2)(8,9)(10,11)/rA:26CCCOCCCCSCCCNCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s3;d16;s17;s18;d19;s19;s21;s22;s22;s2d18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-BBNKDZBMZPPMNB_on_Q14416_WT,High,ChEMBL30,CHEMBL2152108,N#Cc1c(-c2cc(Cl)c(NC3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12,BBNKDZBMZPPMNB,BBNKDZBMZPPMNB-UHFFFAOYSA-N,"InChI=1S/C21H18ClF3N4O/c22-18-9-13(1-2-19(18)28-14-4-7-30-8-5-14)16-3-6-29-15(10-21(23,24)25)12-27-20(29)17(16)11-26/h1-3,6,9,12,14,28H,4-5,7-8,10H2","""AuxInfo=1/0/N:18,17,19,12,16,20,13,15,6,23,2,28,5,11,22,4,3,7,9,30,24,8,25,26,27,1,29,10,21,14/E:(4,5)(7,8)(23,24,25)/rA:30NCCCCCCClCNCCCOCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;s12;s13;s14;s11s15;s9;s5d17;s4;d19;s20;s21;s22;s23;s24;s24;s24;d22;s28;s3s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-BBOAHBVXCYBKLC_on_O00591_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_O14764_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P14867_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P18505_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P18507_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P28472_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P31644_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P34903_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P47869_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P47870_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P48169_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_P78334_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_Q16445_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOAHBVXCYBKLC_on_Q99928_WT,Low,ChEMBL30,CHEMBL355202,O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2,BBOAHBVXCYBKLC,BBOAHBVXCYBKLC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)","""AuxInfo=1/1/N:9,8,10,26,22,25,23,27,7,11,21,13,29,14,28,17,4,24,18,6,20,16,19,2,12,3,15,5,1/E:(2,3)(9,10)(12,13)(14,15)/rA:29OCNCNCCCCCCCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2s5;s12;s13;s14;s15;s16;s17;d18;s16s19;d20;s21;d22;s19s23;d24;s25;s18d26;s15;s12s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650083,PMID:10476866,1999.0,PMID:10476866,1999,0,0,0,1,0,,>,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BBOKFBYMJJGGLL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL444778,CC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1,BBOKFBYMJJGGLL,BBOKFBYMJJGGLL-UHFFFAOYSA-N,"InChI=1S/C19H27NO3/c1-15-13-20(19(21)23-15)14-17-7-9-18(10-8-17)22-12-11-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,7,20,8,19,12,11,3,5,2,13,6,9,21,4,22,10,23/E:(3,4)(5,6)(7,8)(9,10)/rA:23CCCNCCCCCOCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s4;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-BBSNJCBFCWNPBH_on_P14867_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-BBSNJCBFCWNPBH_on_P18507_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL991890;CHEMBL991892;CHEMBL948527;CHEMBL991893;CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.840;  8.580;  8.580;  7.230;  6.710,7.587999999999999,0.828,0.414,5.0,7.23,0.52
-BBSNJCBFCWNPBH_on_P28472_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948527;CHEMBL948526;CHEMBL991893;CHEMBL991890;CHEMBL991892,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  8.580;  6.710;  7.230;  6.840;  8.580,7.587999999999999,0.828,0.414,5.0,7.23,0.52
-BBSNJCBFCWNPBH_on_P31644_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  8.580,8.58,0.0,0.0,1.0,8.58,0.0
-BBSNJCBFCWNPBH_on_P34903_WT,Medium,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL991891,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-BBSNJCBFCWNPBH_on_P47869_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL991890,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-BBSNJCBFCWNPBH_on_P48169_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL991892,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  8.580,8.58,0.0,0.0,1.0,8.58,0.0
-BBSNJCBFCWNPBH_on_Q16445_WT,Low,ChEMBL30,CHEMBL471977,CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,BBSNJCBFCWNPBH,BBSNJCBFCWNPBH-UHFFFAOYSA-N,"InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s9;s9;w?5;s13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL991893,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-BBTWNKXINIEMRQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL551632;623968,C(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1,BBTWNKXINIEMRQ,BBTWNKXINIEMRQ-UHFFFAOYSA-N,"InChI=1S/C23H26N2O2/c1-2-4-20(5-3-1)6-7-21-8-10-22(11-9-21)23(24-12-16-26-17-13-24)25-14-18-27-19-15-25/h1-5,8-11,23H,12-19H2","""AuxInfo=1/0/N:25,24,26,23,27,1,2,4,21,5,20,9,13,15,19,10,12,16,18,22,3,6,7,8,14,11,17/E:(2,3)(4,5)(8,9)(10,11)(12,13,14,15)(16,17,18,19)(24,25)(26,27)/rA:27CCCCCCCNCCOCCNCCOCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s7;s14;s15;s16;s17;s14s18;s6;s3d20;s1;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;PubChemAID:420101,PMID:19443216,2009.0,PMID:19443216;PubChemAID:420101,2009;2010,0,1;0,0,0,0;1,,=,  6.010;  6.013,6.011,0.002,0.002,2.0,6.011,0.002
-BBUARDRWADRGCR_on_Q14833_WT,High,ExCAPE-DB,56587877,O=C(c1cscn1)N1CCOc2ccc(Cl)cc21,BBUARDRWADRGCR,BBUARDRWADRGCR-UHFFFAOYSA-N,"InChI=1S/C12H9ClN2O2S/c13-8-1-2-11-10(5-8)15(3-4-17-11)12(16)9-6-18-7-14-9/h1-2,5-7H,3-4H2","""AuxInfo=1/0/N:14,13,9,10,17,4,6,15,3,18,12,2,16,7,8,1,11,5/rA:18OCCCSCNNCCOCCCCClCC/rB:d1;s2;d3;s4;s5;s3d6;s2;s8;s9;s10;s11;d12;s13;d14;s15;s15;s8s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BBWXENOGQJOESD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107872,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1,BBWXENOGQJOESD,BBWXENOGQJOESD-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c1-12-7-15(8-13(2)27-12)20-18-5-6-30-16(10-24)11-29(18)21(28-20)14-3-4-19(17(23)9-14)31-22(25)26/h3-4,7-9,16,22H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,30,17,18,7,8,3,28,26,11,13,2,29,16,4,10,24,6,19,5,15,21,25,12,22,23,31,27,14,9,20/E:(1,2)(7,8)(12,13)(25,26)/rA:31CCCCCCCCOCCFCNCCCCCOCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BCAGUHVFVFTKBX_on_P14867_WT,Low,ChEMBL30,CHEMBL2315226,NCc1cn(O)nc1-c1ccc(-c2ccccc2)cc1,BCAGUHVFVFTKBX,BCAGUHVFVFTKBX-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:16,15,17,14,18,11,19,10,20,2,4,13,12,9,3,8,1,7,5,6/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BCAGUHVFVFTKBX_on_P18507_WT,Low,ChEMBL30,CHEMBL2315226,NCc1cn(O)nc1-c1ccc(-c2ccccc2)cc1,BCAGUHVFVFTKBX,BCAGUHVFVFTKBX-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:16,15,17,14,18,11,19,10,20,2,4,13,12,9,3,8,1,7,5,6/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BCAGUHVFVFTKBX_on_P47870_WT,Low,ChEMBL30,CHEMBL2315226,NCc1cn(O)nc1-c1ccc(-c2ccccc2)cc1,BCAGUHVFVFTKBX,BCAGUHVFVFTKBX-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:16,15,17,14,18,11,19,10,20,2,4,13,12,9,3,8,1,7,5,6/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BCAYLBZLRCQCJZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713170;CHEMBL2403695,O=C(C1CCCO1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,BCAYLBZLRCQCJZ,BCAYLBZLRCQCJZ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2S/c22-19(16-7-4-12-23-16)21-11-10-15-17(13-21)24-18(20-15)9-8-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7,10-13H2","""AuxInfo=1/0/N:21,20,22,5,19,23,4,17,16,10,9,6,13,18,11,3,12,15,2,24,8,1,7,14/E:(2,3)(5,6)/rA:24OCCCCCONCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  6.102;  6.100,6.101,0.001,0.001,2.0,6.101,0.001
-BCCVQAODABZVGB_on_P41594_WT,High,ChEMBL30,CHEMBL2403654,O=S(=O)(C1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,BCCVQAODABZVGB,BCCVQAODABZVGB-UHFFFAOYSA-N,"InChI=1S/C20H22N2O2S2/c23-26(24,17-9-5-2-6-10-17)22-14-13-18-19(15-22)25-20(21-18)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-10,13-15H2","""AuxInfo=1/0/N:23,7,22,24,6,8,21,25,5,9,19,18,12,11,15,20,4,13,14,17,26,10,1,3,16,2/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:26.6/rA:26OSOCCCCCCNCCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-BCCWMGIZQOORKQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3984173,Cc1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)sc(NC(=O)c2ccccn2)n1,BCCWMGIZQOORKQ,BCCWMGIZQOORKQ-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N3O3S2/c1-10-16(27(24,25)9-11-12(18)5-4-6-13(11)19)26-17(21-10)22-15(23)14-7-2-3-8-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,12,11,13,22,25,7,2,8,9,14,21,19,3,17,10,15,26,27,18,20,5,6,16,4/E:(5,6)(12,13)(18,19)(24,25)/CRV:27.6/rA:27CCCSOOCCCClCCCCClSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-BCDCSJRVBJPNBV_on_Q05586_WT,High,ExCAPE-DB;ChEMBL30,44443075;CHEMBL248444,COCCN(c1c2nc(O)c(O)nc2cc(C)c1Cl)S(C)(=O)=O,BCDCSJRVBJPNBV,BCDCSJRVBJPNBV-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3O5S/c1-7-6-8-10(16-13(19)12(18)15-8)11(9(7)14)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19)","""AuxInfo=1/1/N:17,1,21,4,3,15,16,14,18,7,6,11,9,19,13,8,5,12,10,22,23,2,20/E:(20,21)/CRV:23.6/rA:23COCCNCCNCOCONCCCCCClSCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;s18;s5;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,PubChemAID:308473;CHEMBL887322,PMID:17562362,2007.0,PubChemAID:308473;PMID:17562362,2010;2007,0;1,0,0,0,1;0,,=,  7.114;  7.110,7.112,0.002,0.002,2.0,7.112,0.002
-BCEWAHBYIZQWJY_on_P14867_WT,Low,ChEMBL30,CHEMBL206669,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1,BCEWAHBYIZQWJY,BCEWAHBYIZQWJY-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H,"""AuxInfo=1/0/N:21,20,10,9,22,25,24,28,13,3,11,12,2,6,7,18,26,16,5,17,1,8,19,27,23,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-BCEWAHBYIZQWJY_on_P18507_WT,Low,ChEMBL30,CHEMBL206669,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1,BCEWAHBYIZQWJY,BCEWAHBYIZQWJY-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H,"""AuxInfo=1/0/N:21,20,10,9,22,25,24,28,13,3,11,12,2,6,7,18,26,16,5,17,1,8,19,27,23,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865019;CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.490;  8.770;  9.400,8.887,0.381,0.26899999999999996,3.0,8.77,0.28
-BCEWAHBYIZQWJY_on_P28472_WT,Low,ChEMBL30,CHEMBL206669,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1,BCEWAHBYIZQWJY,BCEWAHBYIZQWJY-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H,"""AuxInfo=1/0/N:21,20,10,9,22,25,24,28,13,3,11,12,2,6,7,18,26,16,5,17,1,8,19,27,23,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865019;CHEMBL865020;CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.770;  8.490;  9.400,8.887,0.381,0.26899999999999996,3.0,8.77,0.28
-BCEWAHBYIZQWJY_on_P31644_WT,Low,ChEMBL30,CHEMBL206669,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1,BCEWAHBYIZQWJY,BCEWAHBYIZQWJY-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H,"""AuxInfo=1/0/N:21,20,10,9,22,25,24,28,13,3,11,12,2,6,7,18,26,16,5,17,1,8,19,27,23,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-BCEWAHBYIZQWJY_on_P34903_WT,Low,ChEMBL30,CHEMBL206669,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1,BCEWAHBYIZQWJY,BCEWAHBYIZQWJY-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H,"""AuxInfo=1/0/N:21,20,10,9,22,25,24,28,13,3,11,12,2,6,7,18,26,16,5,17,1,8,19,27,23,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-BCHRZZNYEZLETK_on_O15399_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_O60391_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_Q05586_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_Q12879_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_Q13224_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCHRZZNYEZLETK_on_Q14957_WT,Low,ChEMBL30,CHEMBL354482,Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1,BCHRZZNYEZLETK,BCHRZZNYEZLETK-UHFFFAOYSA-N,"InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)","""AuxInfo=1/1/N:12,11,13,10,7,6,19,3,14,17,8,9,2,16,4,1,15,5,18/rA:19NCCCNCCCCCCCCCNCCOC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BCKKOUCXWSSIQF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3972441,COc1cc(-c2nc(-c3ccnc(CF)c3)c3CCOCCn23)ccc1Cl,BCKKOUCXWSSIQF,BCKKOUCXWSSIQF-UHFFFAOYSA-N,"InChI=1S/C20H19ClFN3O2/c1-26-18-11-14(2-3-16(18)21)20-24-19(13-4-6-23-15(10-13)12-22)17-5-8-27-9-7-25(17)20/h2-4,6,10-11H,5,7-9,12H2,1H3","""AuxInfo=1/0/N:1,24,25,10,18,11,22,19,21,16,4,14,9,5,13,26,17,3,8,6,27,15,12,7,23,2,20/rA:27COCCCCNCCCCNCCFCCCCOCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s14;s9d13;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-BCKXFFAUCKSSEW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3980897,CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)nn2)C2CCCC21,BCKXFFAUCKSSEW,BCKXFFAUCKSSEW-UHFFFAOYSA-N,"InChI=1S/C19H17FN4O/c1-23-16-6-3-7-17(16)24(19(23)25)18-11-10-15(21-22-18)9-8-13-4-2-5-14(20)12-13/h2,4-5,10-12,16-17H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,14,23,13,15,24,22,11,10,8,7,18,12,16,9,25,21,6,3,17,19,20,2,5,4/rA:25CNCONCCCCCCCCCCCFCNNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s22;s23;s2s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-BCLMRTYDVWUZQC_on_O15399_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_O60391_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_Q05586_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_Q12879_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_Q13224_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLMRTYDVWUZQC_on_Q14957_WT,Low,ChEMBL30,CHEMBL98723,Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1,BCLMRTYDVWUZQC,BCLMRTYDVWUZQC-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4/c1-14-3-2-12-8(14)7-5(9(15)13-18-7)4-6(11)10(16)17/h2-3,6H,4,11H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,4,3,9,8,10,7,6,15,12,11,5,17,2,16,13,14,18/E:(16,17)/rA:18CNCCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCLNCXBDWXPRAH_on_P14867_WT,Low,ChEMBL30,CHEMBL427207,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)cnn23)c1,BCLNCXBDWXPRAH,BCLNCXBDWXPRAH-UHFFFAOYSA-N,"InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H","""AuxInfo=1/0/N:14,7,8,13,4,29,2,17,26,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,27,20,28/E:(22,23,24)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCNNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.600,9.6,0.0,0.0,1.0,9.6,0.0
-BCLNCXBDWXPRAH_on_P18507_WT,Low,ChEMBL30,CHEMBL427207,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)cnn23)c1,BCLNCXBDWXPRAH,BCLNCXBDWXPRAH-UHFFFAOYSA-N,"InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H","""AuxInfo=1/0/N:14,7,8,13,4,29,2,17,26,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,27,20,28/E:(22,23,24)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCNNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.100;  9.600,9.35,0.25,0.25,2.0,9.35,0.25
-BCLNCXBDWXPRAH_on_P28472_WT,Low,ChEMBL30,CHEMBL427207,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)cnn23)c1,BCLNCXBDWXPRAH,BCLNCXBDWXPRAH-UHFFFAOYSA-N,"InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H","""AuxInfo=1/0/N:14,7,8,13,4,29,2,17,26,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,27,20,28/E:(22,23,24)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCNNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853068;CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.600;  9.100,9.35,0.25,0.25,2.0,9.35,0.25
-BCLNCXBDWXPRAH_on_P47869_WT,Low,ChEMBL30,CHEMBL427207,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)cnn23)c1,BCLNCXBDWXPRAH,BCLNCXBDWXPRAH-UHFFFAOYSA-N,"InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H","""AuxInfo=1/0/N:14,7,8,13,4,29,2,17,26,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,27,20,28/E:(22,23,24)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCNNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-BCMBPXDPYNYPQX_on_P41594_WT,High,ChEMBL30,CHEMBL3605282,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ccncc1)n2,BCMBPXDPYNYPQX,BCMBPXDPYNYPQX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3/c20-14-3-1-13(2-4-14)19(24)23-10-7-16-17(11-23)26-18(22-16)12-25-15-5-8-21-9-6-15/h1-6,8-9H,7,10-12H2","""AuxInfo=1/0/N:4,9,5,8,21,25,12,22,24,11,15,18,3,6,20,13,14,17,2,7,23,26,10,1,19,16/E:(1,2)(3,4)(5,6)(8,9)/rA:26OCCCCCFCCNCCCCCOCCOCCCNCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  5.770;  5.760,5.765,0.005,0.005,2.0,5.765,0.005
-BCMKQOREHHIJIN_on_O00222_WT,Medium,ChEMBL30,CHEMBL319279,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O,BCMKQOREHHIJIN,BCMKQOREHHIJIN-UHFFFAOYSA-N,"InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)","""AuxInfo=1/1/N:28,27,29,7,15,8,16,26,30,6,14,9,17,24,23,3,25,5,13,22,4,10,12,31,21,32,18,2,1,33,34,19,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:34NCCCCCCCCCOCCCCCCCOOCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s22;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BCMKQOREHHIJIN_on_P41594_WT,Low,ChEMBL30,CHEMBL319279,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O,BCMKQOREHHIJIN,BCMKQOREHHIJIN-UHFFFAOYSA-N,"InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)","""AuxInfo=1/1/N:28,27,29,7,15,8,16,26,30,6,14,9,17,24,23,3,25,5,13,22,4,10,12,31,21,32,18,2,1,33,34,19,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:34NCCCCCCCCCOCCCCCCCOOCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s22;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCMKQOREHHIJIN_on_Q13255_WT,Low,ChEMBL30,CHEMBL319279,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O,BCMKQOREHHIJIN,BCMKQOREHHIJIN-UHFFFAOYSA-N,"InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)","""AuxInfo=1/1/N:28,27,29,7,15,8,16,26,30,6,14,9,17,24,23,3,25,5,13,22,4,10,12,31,21,32,18,2,1,33,34,19,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:34NCCCCCCCCCOCCCCCCCOOCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s22;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BCMKQOREHHIJIN_on_Q14831_WT,Medium,ChEMBL30,CHEMBL319279,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O,BCMKQOREHHIJIN,BCMKQOREHHIJIN-UHFFFAOYSA-N,"InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)","""AuxInfo=1/1/N:28,27,29,7,15,8,16,26,30,6,14,9,17,24,23,3,25,5,13,22,4,10,12,31,21,32,18,2,1,33,34,19,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:34NCCCCCCCCCOCCCCCCCOOCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s22;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.810,4.81,0.0,0.0,1.0,4.81,0.0
-BCMKQOREHHIJIN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL319279,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O,BCMKQOREHHIJIN,BCMKQOREHHIJIN-UHFFFAOYSA-N,"InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)","""AuxInfo=1/1/N:28,27,29,7,15,8,16,26,30,6,14,9,17,24,23,3,25,5,13,22,4,10,12,31,21,32,18,2,1,33,34,19,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:34NCCCCCCCCCOCCCCCCCOOCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s22;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-BCMXQWFCCMIMID_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580125;CHEMBL2346713,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F,BCMXQWFCCMIMID,BCMXQWFCCMIMID-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:21,1,11,14,19,15,18,23,22,20,2,13,16,24,4,8,12,6,17,25,3,5,9,10,7/E:(4,5)(6,7)/rA:25CCNCNCOCNNCCCCCCFCCCCCCCF/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s8d12;s20;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.553;  7.550,7.551,0.002,0.002,2.0,7.551,0.002
-BCNKESZEJYKDPQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388896;CHEMBL2408567,CC1CC(=O)c2c(C1)nc(Nc1cc(Cl)ccc1)nc2,BCNKESZEJYKDPQ,BCNKESZEJYKDPQ-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c1-9-5-13-12(14(20)6-9)8-17-15(19-13)18-11-4-2-3-10(16)7-11/h2-4,7-9H,5-6H2,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,17,16,18,8,3,13,20,2,14,12,6,7,4,10,15,19,11,9,5/rA:20CCCCOCCCNCNCCCClCCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;s14;d14;s16;s12d17;s10;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  5.210;  5.210,5.21,0.0,0.0,2.0,5.21,0.0
-BCNKQXDDMIBITO_on_O15303_WT,High,ExCAPE-DB,4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:743421,PubChemAID:743421,2014.0,PubChemAID:743421,2014,0,0,0,0,1,,=,  6.409,6.409,0.0,0.0,1.0,6.409,0.0
-BCNKQXDDMIBITO_on_P41594_WT,High,ExCAPE-DB,4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:743419,PubChemAID:743419,2014.0,PubChemAID:743419,2014,0,0,0,0,1,,=,  6.456,6.456,0.0,0.0,1.0,6.456,0.0
-BCNKQXDDMIBITO_on_Q13255_WT,High,ExCAPE-DB,4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:743429,PubChemAID:743429,2014.0,PubChemAID:743429,2014,0,0,0,0,1,,=,  6.509,6.5089999999999995,0.0,0.0,1.0,6.5089999999999995,0.0
-BCNKQXDDMIBITO_on_Q14416_WT,High,ExCAPE-DB,4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:743433,PubChemAID:743433,2014.0,PubChemAID:743433,2014,0,0,0,0,1,,=,  6.432,6.432,0.0,0.0,1.0,6.432,0.0
-BCNKQXDDMIBITO_on_Q14832_WT,High,ExCAPE-DB,4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:743431,PubChemAID:743431,2014.0,PubChemAID:743431,2014,0,0,0,0,1,,=,  6.745,6.745,0.0,0.0,1.0,6.745,0.0
-BCNKQXDDMIBITO_on_Q14833_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1585091;CHEMBL1585091;4043841,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1,BCNKQXDDMIBITO,BCNKQXDDMIBITO-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCSCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4140822;CHEMBL4369692;PubChemAID:743393,PubChemAID:743466,2014.0,PMID:29057060;PMID:30881607;PubChemAID:743393,2017;2019;2014,0,1;1;0,0,0,0;0;1,,=,  5.500;  5.460;  5.750,5.57,0.128,0.091,3.0,5.5,0.04
-BCOWBMDVBZPNTD_on_P14867_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.240;  8.240,8.24,0.0,0.0,2.0,8.24,0.0
-BCOWBMDVBZPNTD_on_P18507_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL683045;CHEMBL678329;CHEMBL681480;CHEMBL685338;CHEMBL683047;CHEMBL823916;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  6.770;  6.490;  8.240;  8.030;  8.030;  6.490;  6.770;  8.240,7.382999999999999,0.763,0.28800000000000003,8.0,7.4,0.735
-BCOWBMDVBZPNTD_on_P28472_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL683045;CHEMBL683047;CHEMBL823916;CHEMBL822165;CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039,2000;2000;2000;1998;1998;1998;1998;2000,0,0,0,1,0,,=,  6.770;  8.240;  6.490;  6.490;  6.770;  8.240;  8.030;  8.030,7.382999999999999,0.763,0.28800000000000003,8.0,7.4,0.735
-BCOWBMDVBZPNTD_on_P31644_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.030;  8.030,8.03,0.0,0.0,2.0,8.03,0.0
-BCOWBMDVBZPNTD_on_P34903_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.770;  6.770,6.77,0.0,0.0,2.0,6.77,0.0
-BCOWBMDVBZPNTD_on_Q16445_WT,Low,ChEMBL30,CHEMBL131977,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O,BCOWBMDVBZPNTD,BCOWBMDVBZPNTD-UHFFFAOYSA-N,"InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)18-17-12-23(4)19(26)15-11-14(24-9-5-6-10-24)7-8-16(15)25(17)13-22-18/h7-8,11,13H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,22,23,25,26,21,24,18,3,14,19,17,16,4,5,27,6,9,13,2,20,15,28,7,8/E:(1,2,3)(5,6)(9,10)/rA:28CNCCCCOOCCCCNCNCCCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s20s23;s19;s16d25;s2s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.490;  6.490,6.49,0.0,0.0,2.0,6.49,0.0
-BCQVXCCWNGHILE_on_P31644_WT,High,ChEMBL30,CHEMBL3681600,CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,BCQVXCCWNGHILE,BCQVXCCWNGHILE-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O3/c1-12(2)22-19(24)14-5-8-17(21-9-14)25-10-15-11-26-23-18(15)13-3-6-16(20)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,19,24,8,20,23,9,26,12,14,2,18,7,13,21,10,17,5,22,25,4,16,6,11,15/E:(1,2)(3,4)(6,7)/rA:26CCCNCOCCCCOCCCONCCCCCFCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-BCXRNFPHFTVMNW_on_P31644_WT,High,ChEMBL30,CHEMBL3675683,Cc1c(C(=O)NC(C)C)sc(C=Cc2c(-c3ccccn3)nnn2C)n1,BCXRNFPHFTVMNW,BCXRNFPHFTVMNW-UHFFFAOYSA-N,"InChI=1S/C18H20N6OS/c1-11(2)20-18(25)17-12(3)21-15(26-17)9-8-14-16(22-23-24(14)4)13-7-5-6-10-19-13/h5-11H,1-4H3,(H,20,25)","""AuxInfo=1/1/N:8,9,1,25,18,19,17,13,12,20,7,2,16,14,11,15,3,4,21,6,26,22,23,24,5,10/E:(1,2)/rA:26CCCCONCCCSCCCCCCCCCCNNNNCN/rB:s1;d2;s3;d4;s4;s6;s7;s7;s3;s10;s11;w?12;s13;d14;s15;d16;s17;d18;s19;s16d20;s15;d22;s14s23;s24;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-BDBFKUUNGAKBKD_on_P41594_WT,Low,ChEMBL30,CHEMBL1672537,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1ccc(Cl)c2,BDBFKUUNGAKBKD,BDBFKUUNGAKBKD-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-8-28-19-7-5-15(22)10-18(19)27-21(28)14-9-17(23)20(25-11-14)26-16-6-4-13(2)24-12-16/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,17,25,18,24,3,7,28,20,13,15,6,26,12,8,22,23,10,5,27,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCCCClC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;d24;s25;s26;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-BDERYSXUUIVLID_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11530673;CHEMBL426018,CCCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,BDERYSXUUIVLID,BDERYSXUUIVLID-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-4-5-13-6-8-14(9-7-13)24-12-22-17-16-15(23(2)3)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,18,19,2,3,5,26,6,25,20,21,9,4,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(2,3)(6,7)(8,9)/rA:26CCCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;s7;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  5.690;  5.690,5.69,0.0,0.0,2.0,5.69,0.0
-BDERYSXUUIVLID_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11530673;CHEMBL426018,CCCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,BDERYSXUUIVLID,BDERYSXUUIVLID-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-4-5-13-6-8-14(9-7-13)24-12-22-17-16-15(23(2)3)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,18,19,2,3,5,26,6,25,20,21,9,4,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(2,3)(6,7)(8,9)/rA:26CCCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;s7;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-BDFFYNNARNJZMD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL233708,COCCNC(=O)c1c(C)c(C(=O)OC(C)C(C)(C)C)c[nH]1,BDFFYNNARNJZMD,BDFFYNNARNJZMD-UHFFFAOYSA-N,"InChI=1S/C16H26N2O4/c1-10-12(15(20)22-11(2)16(3,4)5)9-18-13(10)14(19)17-7-8-21-6/h9,11,18H,7-8H2,1-6H3,(H,17,19)","""AuxInfo=1/1/N:10,16,18,19,20,1,4,3,21,9,15,11,8,6,12,17,5,22,7,13,2,14/E:(3,4,5)/rA:22COCCNCOCCCCCOOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s12;s14;s15;s15;s17;s17;s17;d11;s8s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-BDFZSOMNQYUCRC_on_P14867_WT,Low,ChEMBL30,CHEMBL4098713,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(C)no3)ncn-21,BDFZSOMNQYUCRC,BDFZSOMNQYUCRC-UHFFFAOYSA-N,"InChI=1S/C21H14N6O/c1-3-14-7-8-17-15(10-14)19(16-6-4-5-9-22-16)23-11-18-20(24-12-27(17)18)21-25-13(2)26-28-21/h1,4-10,12H,11H2,2H3","""AuxInfo=1/0/N:1,23,2,12,13,11,4,5,14,8,17,27,22,3,7,10,6,18,9,19,20,15,16,26,21,24,28,25/rA:28CCCCCCCCCCCCCCNNCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;d22;s20s24;s19;d26;s6s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-BDFZSOMNQYUCRC_on_P18507_WT,Low,ChEMBL30,CHEMBL4098713,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(C)no3)ncn-21,BDFZSOMNQYUCRC,BDFZSOMNQYUCRC-UHFFFAOYSA-N,"InChI=1S/C21H14N6O/c1-3-14-7-8-17-15(10-14)19(16-6-4-5-9-22-16)23-11-18-20(24-12-27(17)18)21-25-13(2)26-28-21/h1,4-10,12H,11H2,2H3","""AuxInfo=1/0/N:1,23,2,12,13,11,4,5,14,8,17,27,22,3,7,10,6,18,9,19,20,15,16,26,21,24,28,25/rA:28CCCCCCCCCCCCCCNNCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;d22;s20s24;s19;d26;s6s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-BDFZSOMNQYUCRC_on_P28472_WT,Low,ChEMBL30,CHEMBL4098713,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(C)no3)ncn-21,BDFZSOMNQYUCRC,BDFZSOMNQYUCRC-UHFFFAOYSA-N,"InChI=1S/C21H14N6O/c1-3-14-7-8-17-15(10-14)19(16-6-4-5-9-22-16)23-11-18-20(24-12-27(17)18)21-25-13(2)26-28-21/h1,4-10,12H,11H2,2H3","""AuxInfo=1/0/N:1,23,2,12,13,11,4,5,14,8,17,27,22,3,7,10,6,18,9,19,20,15,16,26,21,24,28,25/rA:28CCCCCCCCCCCCCCNNCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;d22;s20s24;s19;d26;s6s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-BDFZSOMNQYUCRC_on_P34903_WT,Low,ChEMBL30,CHEMBL4098713,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(C)no3)ncn-21,BDFZSOMNQYUCRC,BDFZSOMNQYUCRC-UHFFFAOYSA-N,"InChI=1S/C21H14N6O/c1-3-14-7-8-17-15(10-14)19(16-6-4-5-9-22-16)23-11-18-20(24-12-27(17)18)21-25-13(2)26-28-21/h1,4-10,12H,11H2,2H3","""AuxInfo=1/0/N:1,23,2,12,13,11,4,5,14,8,17,27,22,3,7,10,6,18,9,19,20,15,16,26,21,24,28,25/rA:28CCCCCCCCCCCCCCNNCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;d22;s20s24;s19;d26;s6s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-BDGWCPYUERFMMY_on_O00591_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_O14764_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P14867_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P18505_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P18507_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P28472_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P31644_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P34903_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P47869_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P47870_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P48169_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_P78334_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_Q16445_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDGWCPYUERFMMY_on_Q99928_WT,Low,ChEMBL30,CHEMBL74589,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,BDGWCPYUERFMMY,BDGWCPYUERFMMY-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,21,4,14,5,19,22,13,16,11,2,20,15,3,12,1/E:(2,3)(4,5)/rA:22OCNCCCCCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-BDISWVKOOATATE_on_O00591_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_O14764_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P14867_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P18505_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P18507_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P28472_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P31644_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P34903_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P47869_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P47870_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P48169_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_P78334_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_Q16445_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDISWVKOOATATE_on_Q99928_WT,Low,ChEMBL30,CHEMBL346677,O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1,BDISWVKOOATATE,BDISWVKOOATATE-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2S/c16-9-3-4-12-13(6-9)20-14(19-18-12)11(7-17-20)15(21)22-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,19,20,8,16,23,4,17,5,10,14,15,11,2,18,22,13,12,21,1,3,9/rA:23OCOCCCCCSCCNNCCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s11s15;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-BDJSRYXOYVCWHM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11458873;CHEMBL425385,CCOc1c(Nc2cccc(C)n2)nccn1,BDJSRYXOYVCWHM,BDJSRYXOYVCWHM-UHFFFAOYSA-N,"InChI=1S/C12H14N4O/c1-3-17-12-11(13-7-8-14-12)16-10-6-4-5-9(2)15-10/h4-8H,3H2,1-2H3,(H,13,15,16)","""AuxInfo=1/1/N:1,12,2,9,10,8,15,16,11,7,5,4,14,17,13,6,3/rA:17CCOCCNCCCCCCNNCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s7d11;s5;d14;s15;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  6.304;  6.300,6.3020000000000005,0.002,0.002,2.0,6.3020000000000005,0.002
-BDKCBNKKZXWGBC_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684240,O=C1NCc2c1ccc(C#Cc1ccc(F)cc1)c2,BDKCBNKKZXWGBC,BDKCBNKKZXWGBC-UHFFFAOYSA-N,"InChI=1S/C16H10FNO/c17-14-6-3-11(4-7-14)1-2-12-5-8-15-13(9-12)10-18-16(15)19/h3-9H,10H2,(H,18,19)","""AuxInfo=1/1/N:11,10,13,18,8,14,17,7,19,4,12,9,5,15,6,2,16,3,1/E:(3,4)(6,7)/rA:19OCNCCCCCCCCCCCCFCCC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s5d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-BDKOCMNWFUTONP_on_Q05586_WT,Low,ChEMBL30,CHEMBL66539,O=S(=O)(Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)c1ccccc1,BDKOCMNWFUTONP,BDKOCMNWFUTONP-UHFFFAOYSA-N,"InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)","""AuxInfo=1/1/N:22,31,21,23,30,32,20,24,29,33,15,26,10,16,25,9,13,6,14,5,19,17,28,8,7,12,11,27,4,1,3,18,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(30,31)/CRV:33.6/rA:33OSONCCCCCCNCCCCCCOCCCCCCCCNCCCCCC/rB:d1;d2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;s7d12;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.310;  7.770,7.54,0.23,0.23,2.0,7.54,0.23
-BDKOCMNWFUTONP_on_Q13224_WT,Low,ChEMBL30,CHEMBL66539,O=S(=O)(Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)c1ccccc1,BDKOCMNWFUTONP,BDKOCMNWFUTONP-UHFFFAOYSA-N,"InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)","""AuxInfo=1/1/N:22,31,21,23,30,32,20,24,29,33,15,26,10,16,25,9,13,6,14,5,19,17,28,8,7,12,11,27,4,1,3,18,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(30,31)/CRV:33.6/rA:33OSONCCCCCCNCCCCCCOCCCCCCCCNCCCCCC/rB:d1;d2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;s7d12;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  7.770;  7.310,7.54,0.23,0.23,2.0,7.54,0.23
-BDLSZVUMZCCCHF_on_P14867_WT,Low,ChEMBL30,CHEMBL461924,Cc1nn(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1Br,BDLSZVUMZCCCHF,BDLSZVUMZCCCHF-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:1,21,11,10,12,17,5,18,2,20,9,13,8,6,22,23,7,3,4,14,15,16,19/E:(21,22)/CRV:20.5/rA:23CCNNCCNCCCCCCN+OO-CCSCCCBr/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;d8;s6s18;s4;s20;s2d20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BDLSZVUMZCCCHF_on_P31644_WT,Low,ChEMBL30,CHEMBL461924,Cc1nn(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1Br,BDLSZVUMZCCCHF,BDLSZVUMZCCCHF-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:1,21,11,10,12,17,5,18,2,20,9,13,8,6,22,23,7,3,4,14,15,16,19/E:(21,22)/CRV:20.5/rA:23CCNNCCNCCCCCCN+OO-CCSCCCBr/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;d8;s6s18;s4;s20;s2d20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BDMKFPIDFLVMAZ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3956107,O=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,BDMKFPIDFLVMAZ,BDMKFPIDFLVMAZ-UHFFFAOYSA-N,"InChI=1S/C17H12F3N3O3S2/c18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13/h1-7H,8-9H2,(H,22,23,24)","""AuxInfo=1/1/N:25,26,18,17,19,24,27,7,13,14,15,20,23,6,2,9,4,8,16,21,28,5,3,1,11,12,22,10/E:(4,5)(11,12)(19,20)(25,26)/CRV:28.6/rA:28OCNCNCCFCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;d6;s9;d10;d10;s10;s13;d14;s15;s15;d17;s18;s14d19;s20;s4s9;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-BDNZVCRTCLYQQP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,53321504;CHEMBL1630070,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(C(F)(F)F)nn12,BDNZVCRTCLYQQP,BDNZVCRTCLYQQP-UHFFFAOYSA-N,"InChI=1S/C15H13F3N4O3/c1-8-11(25-13-20-12(15(16,17)18)21-22(8)13)9(2)24-14(23)19-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,2,4,10,3,19,17,7,20,21,22,23,9,18,24,25,8,6,16/E:(4,5)(6,7)(16,17,18)/rA:25CCCCCOCONCCCCCCOCNCCFFFNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;s19;s20;s20;s20;d19;s2s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:546886;CHEMBL1639082,PMID:21051228,2010.0,PubChemAID:546886;PMID:21051228,2011;2010,0;1,0,0,0,1;0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-BDSXXJFSNJFFJG_on_O15399_WT,Low,ChEMBL30,CHEMBL3594112,CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,BDSXXJFSNJFFJG,BDSXXJFSNJFFJG-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h13-18H,4-12H2,1-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3594877,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-BDSXXJFSNJFFJG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594112,CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,BDSXXJFSNJFFJG,BDSXXJFSNJFFJG-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h13-18H,4-12H2,1-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594732;CHEMBL3594731;CHEMBL3594729;CHEMBL3594877,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.400;  6.220;  6.220;  6.300,6.285,0.07400000000000001,0.043,4.0,6.26,0.04
-BDSXXJFSNJFFJG_on_Q12879_WT,Low,ChEMBL30,CHEMBL3594112,CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,BDSXXJFSNJFFJG,BDSXXJFSNJFFJG-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h13-18H,4-12H2,1-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3594731,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-BDSXXJFSNJFFJG_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594112,CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,BDSXXJFSNJFFJG,BDSXXJFSNJFFJG-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h13-18H,4-12H2,1-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-BDSXXJFSNJFFJG_on_Q14957_WT,Low,ChEMBL30,CHEMBL3594112,CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,BDSXXJFSNJFFJG,BDSXXJFSNJFFJG-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h13-18H,4-12H2,1-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3594732,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-BDVBSUQDXROFTD_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779889;CHEMBL1779889;54587489,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccnc1)cc2,BDVBSUQDXROFTD,BDVBSUQDXROFTD-UHFFFAOYSA-N,"InChI=1S/C21H21N3O/c25-21-19-11-10-17(9-8-16-5-4-13-22-15-16)23-20(19)12-14-24(21)18-6-2-1-3-7-18/h4-5,10-11,13,15,18H,1-3,6-7,12,14H2","""AuxInfo=1/0/N:11,10,12,20,19,9,13,17,16,24,25,5,21,6,23,18,15,8,3,4,2,22,14,7,1/E:(2,3)(6,7)/rA:25OCCCCCNCCCCCCNCCCCCCCNCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598492,2011;2011;2012,0,1;0;0,0,0;1;0,0;0;1,,=,  6.410;  4.810;  6.412,5.877000000000001,0.755,0.534,3.0,6.41,0.002
-BDYHNCZIGYIOGJ_on_O15399_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_O60391_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748198;CHEMBL748786,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.590;  7.750,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BDYHNCZIGYIOGJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL29811,CC(=CC(N)C(=O)O)CP(=O)(O)O,BDYHNCZIGYIOGJ,BDYHNCZIGYIOGJ-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:1,3,9,2,4,6,5,7,8,11,12,13,10/E:(8,9)(10,11,12)/rA:13CCCCNCOOCPOOO/rB:s1;w?2;s3;s4;s4;d6;s6;s2;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  7.750;  7.590,7.67,0.08,0.08,2.0,7.67,0.08
-BEAZQDPVQZFXKN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3969686,COC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1,BEAZQDPVQZFXKN,BEAZQDPVQZFXKN-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O3/c1-30-22(29)15-10-25-27(12-15)11-13-2-7-17-18(14-3-5-16(23)6-4-14)9-20(21(24)28)26-19(17)8-13/h2-10,12H,11H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,28,21,30,8,6,9,14,5,17,12,13,27,22,23,3,18,24,29,26,7,25,4,2/E:(3,4)(5,6)/rA:30COCOCCNCCCCCCCCCCFCCCCCNONCCNC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-BEGSLPZGSYZQOG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107829,COc1ccc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)cc1C,BEGSLPZGSYZQOG,BEGSLPZGSYZQOG-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-13-9-16(5-6-20(13)29-4)23-27-21(19-7-8-30-15(3)12-28(19)23)17-10-14(2)26-18(11-17)22(24)25/h5-6,9-11,15,22H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:30,13,25,1,5,4,21,22,28,11,19,26,29,12,24,6,10,15,20,3,9,16,7,17,18,14,8,27,2,23/E:(24,25)/rA:30COCCCCCNCCCCCNCCFFCCCCOCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s16;s10d15;d9;s20;s21;s22;s23;s24;s24;s7s20s26;s6;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-BEHDVQNYCZMGCM_on_P18507_WT,Low,ChEMBL30,CHEMBL104174,CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12,BEHDVQNYCZMGCM,BEHDVQNYCZMGCM-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,16,15,17,14,18,22,21,3,5,10,25,13,23,11,20,8,12,24,19,4,26,9/E:(1,2)(3,4)(6,7)(8,9)(12,13)/rA:26CCCNCCCCOCCCCCCCCCNCCCCClCN/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s23;d23;s11s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-BEHDVQNYCZMGCM_on_P47869_WT,Low,ChEMBL30,CHEMBL104174,CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12,BEHDVQNYCZMGCM,BEHDVQNYCZMGCM-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,16,15,17,14,18,22,21,3,5,10,25,13,23,11,20,8,12,24,19,4,26,9/E:(1,2)(3,4)(6,7)(8,9)(12,13)/rA:26CCCNCCCCOCCCCCCCCCNCCCCClCN/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s23;d23;s11s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-BEHDVQNYCZMGCM_on_P47870_WT,Low,ChEMBL30,CHEMBL104174,CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12,BEHDVQNYCZMGCM,BEHDVQNYCZMGCM-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O/c1-3-12-24(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)23-19-11-10-17(22)15-25(18)19/h5-11,15H,3-4,12-14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,16,15,17,14,18,22,21,3,5,10,25,13,23,11,20,8,12,24,19,4,26,9/E:(1,2)(3,4)(6,7)(8,9)(12,13)/rA:26CCCNCCCCOCCCCCCCCCNCCCCClCN/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s23;d23;s11s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-BEMABQWYNJVTRG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800556,Cc1c(C2CC2CO)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,BEMABQWYNJVTRG,BEMABQWYNJVTRG-UHFFFAOYSA-N,"InChI=1S/C16H14ClF3N4O2S/c1-7-14(10-2-8(10)6-25)24-13(26)3-9(21-15(24)27-7)5-23-12(17)4-11(22-23)16(18,19)20/h3-4,8,10,25H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,5,12,22,14,7,2,6,13,4,17,23,10,3,26,18,24,19,20,21,25,16,15,9,8,11,27/E:(18,19,20)/rA:27CCCCCCCONCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-BEMABQWYNJVTRG_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800556,Cc1c(C2CC2CO)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,BEMABQWYNJVTRG,BEMABQWYNJVTRG-UHFFFAOYSA-N,"InChI=1S/C16H14ClF3N4O2S/c1-7-14(10-2-8(10)6-25)24-13(26)3-9(21-15(24)27-7)5-23-12(17)4-11(22-23)16(18,19)20/h3-4,8,10,25H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,5,12,22,14,7,2,6,13,4,17,23,10,3,26,18,24,19,20,21,25,16,15,9,8,11,27/E:(18,19,20)/rA:27CCCCCCCONCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-BEMBLBKVLJVNBD_on_P31644_WT,High,ChEMBL30,CHEMBL3681632,CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,BEMBLBKVLJVNBD,BEMBLBKVLJVNBD-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c1-13(26)22-8-9-23-20(27)15-4-7-18(24-10-15)28-11-16-12-29-25-19(16)14-2-5-17(21)6-3-14/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,27)","""AuxInfo=1/1/N:1,22,27,11,23,26,12,5,6,29,15,17,2,21,10,16,24,13,20,8,25,4,7,28,19,3,9,14,18/E:(2,3)(5,6)/rA:29CCONCCNCOCCCCOCCCONCCCCCClCCNC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-BEPYXQHMZVDWQX_on_Q13255_WT,High,ChEMBL30,CHEMBL3330817,COc1ccc(-n2cnc3c(scc3-c3c(F)cccc3)c2=O)cc1,BEPYXQHMZVDWQX,BEPYXQHMZVDWQX-UHFFFAOYSA-N,"InChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3","""AuxInfo=1/0/N:1,20,19,21,18,5,24,4,25,13,8,6,3,15,14,16,10,11,22,17,9,7,23,2,12/E:(6,7)(8,9)/rA:25COCCCCNCNCCSCCCCFCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s16;d18;s19;s15d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-BEQCXQKGDIYXBS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087513;76331684,COC(=O)N1CC2CCC1CC2(O)C#Cc1cc(C)ccc1,BEQCXQKGDIYXBS,BEQCXQKGDIYXBS-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-16-7-6-15(18)12-19(16)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3","""AuxInfo=1/0/N:19,1,21,20,22,8,9,15,14,17,11,6,18,16,7,10,3,12,5,4,13,2/rA:22COCONCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s10;s7s11;s12;s12;t14;s15;d16;s17;s18;d18;s20;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  7.070;  7.071,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-BERJRHQIPAWMTI_on_P14867_WT,Medium,ChEMBL30,CHEMBL342270,Oc1nc2c(CN(Cc3ccncc3)CC2)c2nc(-c3c(F)cccc3)cn12,BERJRHQIPAWMTI,BERJRHQIPAWMTI-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,26,23,10,14,16,11,13,15,8,6,27,9,20,5,21,4,19,17,2,22,12,18,3,7,28,1/E:(5,6)(8,9)/rA:28OCNCCCNCCCCNCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-BERJRHQIPAWMTI_on_P34903_WT,Medium,ChEMBL30,CHEMBL342270,Oc1nc2c(CN(Cc3ccncc3)CC2)c2nc(-c3c(F)cccc3)cn12,BERJRHQIPAWMTI,BERJRHQIPAWMTI-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,26,23,10,14,16,11,13,15,8,6,27,9,20,5,21,4,19,17,2,22,12,18,3,7,28,1/E:(5,6)(8,9)/rA:28OCNCCCNCCCCNCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-BERJRHQIPAWMTI_on_P47869_WT,Medium,ChEMBL30,CHEMBL342270,Oc1nc2c(CN(Cc3ccncc3)CC2)c2nc(-c3c(F)cccc3)cn12,BERJRHQIPAWMTI,BERJRHQIPAWMTI-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,26,23,10,14,16,11,13,15,8,6,27,9,20,5,21,4,19,17,2,22,12,18,3,7,28,1/E:(5,6)(8,9)/rA:28OCNCCCNCCCCNCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BETYSPUHSNAASH_on_P31644_WT,High,ChEMBL30,CHEMBL3681455,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccncc2)no1,BETYSPUHSNAASH,BETYSPUHSNAASH-UHFFFAOYSA-N,"InChI=1S/C21H22N4O4/c1-14-18(20(25-29-14)15-4-8-22-9-5-15)13-28-19-3-2-16(12-23-19)21(26)24-17-6-10-27-11-7-17/h2-5,8-9,12,17H,6-7,10-11,13H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,8,7,23,27,14,18,24,26,15,17,19,4,2,22,9,13,3,6,21,10,25,20,12,28,11,16,5,29/E:(4,5)(6,7)(8,9)(10,11)/rA:29CCCCOCCCCCONCCCOCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-BEUFUKHUURWENE_on_P18507_WT,Low,ChEMBL30,CHEMBL207892,Fc1ccc(-c2cc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)cnn2)cc1,BEUFUKHUURWENE,BEUFUKHUURWENE-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H,"""AuxInfo=1/0/N:4,27,23,3,28,22,10,7,17,24,14,5,9,8,2,15,11,20,18,6,12,1,16,21,19,13,25,26/E:(1,2)(4,5)/rA:28FCCCCCCCCCCCNCCFCCFCFCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;s20;s9d22;d8;s24;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.420;  8.250,8.335,0.085,0.085,2.0,8.335,0.085
-BEUFUKHUURWENE_on_P28472_WT,Low,ChEMBL30,CHEMBL207892,Fc1ccc(-c2cc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)cnn2)cc1,BEUFUKHUURWENE,BEUFUKHUURWENE-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H,"""AuxInfo=1/0/N:4,27,23,3,28,22,10,7,17,24,14,5,9,8,2,15,11,20,18,6,12,1,16,21,19,13,25,26/E:(1,2)(4,5)/rA:28FCCCCCCCCCCCNCCFCCFCFCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;s20;s9d22;d8;s24;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.420;  8.250,8.335,0.085,0.085,2.0,8.335,0.085
-BEUFUKHUURWENE_on_P31644_WT,Low,ChEMBL30,CHEMBL207892,Fc1ccc(-c2cc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)cnn2)cc1,BEUFUKHUURWENE,BEUFUKHUURWENE-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H,"""AuxInfo=1/0/N:4,27,23,3,28,22,10,7,17,24,14,5,9,8,2,15,11,20,18,6,12,1,16,21,19,13,25,26/E:(1,2)(4,5)/rA:28FCCCCCCCCCCCNCCFCCFCFCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;s20;s9d22;d8;s24;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-BEUFUKHUURWENE_on_P34903_WT,Low,ChEMBL30,CHEMBL207892,Fc1ccc(-c2cc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)cnn2)cc1,BEUFUKHUURWENE,BEUFUKHUURWENE-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H,"""AuxInfo=1/0/N:4,27,23,3,28,22,10,7,17,24,14,5,9,8,2,15,11,20,18,6,12,1,16,21,19,13,25,26/E:(1,2)(4,5)/rA:28FCCCCCCCCCCCNCCFCCFCFCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;s20;s9d22;d8;s24;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-BEVIABRWXULHKA_on_P31644_WT,High,ChEMBL30,CHEMBL3681623,CC(O)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,BEVIABRWXULHKA,BEVIABRWXULHKA-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O4/c1-12(24)8-22-19(25)14-4-7-17(21-9-14)26-10-15-11-27-23-18(15)13-2-5-16(20)6-3-13/h2-7,9,11-12,24H,8,10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,25,9,21,24,10,4,27,13,15,2,19,8,14,22,11,18,6,23,26,5,17,3,7,12,16/E:(2,3)(5,6)/rA:27CCOCNCOCCCCOCCCONCCCCCClCCNC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-BEYKYYPVHZJYIG_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647563,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2F)c1,BEYKYYPVHZJYIG,BEYKYYPVHZJYIG-UHFFFAOYSA-N,"InChI=1S/C22H20F2N4O2S/c1-4-28-12-25-21-18(11-26-27-22(21)28)14-5-8-19(23)17(9-14)16-7-6-15(10-20(16)24)31(29,30)13(2)3/h5-13H,4H2,1-3H3","""AuxInfo=1/0/N:1,26,27,2,13,20,19,14,31,28,10,4,25,12,21,18,17,11,15,29,6,7,16,30,5,9,8,3,23,24,22/E:(2,3)(29,30)/CRV:31.6/rA:31CCNCNCCNNCCCCCCFCCCCCSOOCCCCCFC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s25;s21;s18d28;s29;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-BEYOWLBQYUYGPR_on_Q14416_WT,High,ChEMBL30,CHEMBL191391,CCCc1c2ccn(C(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,BEYOWLBQYUYGPR,BEYOWLBQYUYGPR-UHFFFAOYSA-N,"InChI=1S/C25H31N5O2/c1-4-7-22-21-14-15-30(18(2)3)23(21)12-13-24(22)32-17-6-5-16-31-20-10-8-19(9-11-20)25-26-28-29-27-25/h8-15,18H,4-7,16-17H2,1-3H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,10,11,2,19,18,3,24,31,23,32,13,14,6,7,20,17,9,25,22,5,4,12,15,26,27,30,28,29,8,21,16/E:(2,3)(8,9)(10,11)(26,27)(28,29)/rA:32CCCCCCCNCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s9;s5s8;d12;s13;s4d14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;d26;s27;s28;s26d29;s25;s22d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-BEZUZVQSJMUBRG_on_O15399_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_O60391_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_Q05586_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_Q12879_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_Q13224_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BEZUZVQSJMUBRG_on_Q14957_WT,Low,ChEMBL30,CHEMBL78637,Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1,BEZUZVQSJMUBRG,BEZUZVQSJMUBRG-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-11-7-4-5-10-14(11)18-16(17)19-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,15,18,17,12,19,11,13,16,2,9,14,3,8,5,6,4,7/E:(2,3)(8,9)(12,13)/rA:19CCCNCNNCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-BFFSXKDARGTMMM_on_P31644_WT,High,ChEMBL30,CHEMBL3676488,Cc1c(COc2ccc(C(=O)NC3CCN(C(C)C)CC3)cn2)c(-c2ccccc2)no1,BFFSXKDARGTMMM,BFFSXKDARGTMMM-UHFFFAOYSA-N,"InChI=1S/C25H30N4O3/c1-17(2)29-13-11-21(12-14-29)27-25(30)20-9-10-23(26-15-20)31-16-22-18(3)32-28-24(22)19-7-5-4-6-8-19/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,27,30)","""AuxInfo=1/1/N:18,19,1,28,27,29,26,30,8,7,14,21,15,20,22,4,17,2,25,9,13,3,6,24,10,23,12,31,16,11,5,32/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:32CCCCOCCCCCONCCCNCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s17;s16;s13s20;s9;s6d22;s3;s24;d25;s26;d27;s28;s25d29;d24;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-BFGPEZRNJVDHQO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45268733;CHEMBL540426,O=C(NCc1cscc1)c1cnc(C#Cc2ccccc2)cc1,BFGPEZRNJVDHQO,BFGPEZRNJVDHQO-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c22-19(21-12-16-10-11-23-14-16)17-7-9-18(20-13-17)8-6-15-4-2-1-3-5-15/h1-5,7,9-11,13-14H,12H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,15,23,14,22,9,8,4,11,6,16,5,10,13,2,12,3,1,7/E:(2,3)(4,5)/rA:23OCNCCCSCCCCNCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:420101;CHEMBL1032756,PMID:19443216,2009.0,PubChemAID:420101;PMID:19443216,2010;2009,0,0;1,0,0,1;0,,=,  6.854;  6.850,6.852,0.002,0.002,2.0,6.852,0.002
-BFJIRPDDWMFRPG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3894951,FC(F)(F)c1cccc(Nc2c3ncccc3n[nH]2)c1,BFJIRPDDWMFRPG,BFJIRPDDWMFRPG-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c14-13(15,16)8-3-1-4-9(7-8)18-12-11-10(19-20-12)5-2-6-17-11/h1-7H,(H2,18,19,20)","""AuxInfo=1/1/N:7,15,6,8,16,14,20,5,9,17,12,11,2,1,3,4,13,10,18,19/E:(14,15,16)/rA:20FCFFCCCCCNCCNCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-BFKOJIBMYJQCOV_on_Q14833_WT,Low,ChEMBL30,CHEMBL479804,NC(=O)CCC(CC(N)C(=O)O)C(=O)O,BFKOJIBMYJQCOV,BFKOJIBMYJQCOV-UHFFFAOYSA-N,"InChI=1S/C8H14N2O5/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H2,10,11)(H,12,13)(H,14,15)","""AuxInfo=1/1/N:5,4,7,6,8,2,13,10,9,1,3,14,15,11,12/E:(12,13)(14,15)/rA:15NCOCCCCCNCOOCOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s8;d10;s10;s6;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1013093,PMID:18578478,2008.0,PMID:18578478,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BFMVLFRBLSHGFU_on_O15399_WT,Low,ChEMBL30,CHEMBL196828;CHEMBL196887;CHEMBL196983;CHEMBL197051;CHEMBL196983;CHEMBL196983;CHEMBL196828,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828179;CHEMBL828180;CHEMBL828291;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;0;0;1;0,0,0,0;1;0;1;1;0;1,0,,=,  3.921;  7.220;  5.340;  4.660;  5.570;  6.620;  6.420,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_O60391_WT,Low,ChEMBL30,CHEMBL196828;CHEMBL197051;CHEMBL196983;CHEMBL196983;CHEMBL196887;CHEMBL196983;CHEMBL196828,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL828180;CHEMBL828179;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,0;0;1;0;0;1;1,0,0,1;1;0;1;1;0;0,0,,=,  6.420;  4.660;  6.620;  5.570;  7.220;  5.340;  3.921,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL196828;CHEMBL196887;CHEMBL197051;CHEMBL196828;CHEMBL196983;CHEMBL196983;CHEMBL196983,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL828180;CHEMBL828180;CHEMBL828179;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,0;0;0;1;0;1;1,0,0,1;1;1;0;1;0;0,0,,=,  6.420;  7.220;  4.660;  3.921;  5.570;  5.340;  6.620,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_Q05586_WT,Low,ChEMBL30,CHEMBL196828;CHEMBL196828;CHEMBL196983;CHEMBL197051;CHEMBL196983;CHEMBL196887;CHEMBL196983,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828179;CHEMBL828291;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;0;1;0;0,0,0,0;1;0;1;0;1;1,0,,=,  3.921;  6.420;  5.340;  4.660;  6.620;  7.220;  5.570,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_Q12879_WT,Low,ChEMBL30,CHEMBL196828;CHEMBL197051;CHEMBL196983;CHEMBL196983;CHEMBL196983;CHEMBL196887;CHEMBL196828,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL828180;CHEMBL828179;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,0;0;1;0;1;0;1,0,0,1;1;0;1;0;1;0,0,,=,  6.420;  4.660;  6.620;  5.570;  5.340;  7.220;  3.921,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_Q13224_WT,Low,ChEMBL30,CHEMBL196887;CHEMBL196828;CHEMBL197051;CHEMBL196983;CHEMBL196828;CHEMBL196983;CHEMBL196983,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828180;CHEMBL828706;CHEMBL828179;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,0;1;0;1;0;0;1,0,0,1;0;1;0;1;1;0,0,,=,  7.220;  3.921;  4.660;  5.340;  6.420;  5.570;  6.620,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFMVLFRBLSHGFU_on_Q14957_WT,Low,ChEMBL30,CHEMBL196983;CHEMBL196983;CHEMBL196887;CHEMBL196983;CHEMBL197051;CHEMBL196828;CHEMBL196828,COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1,BFMVLFRBLSHGFU,BFMVLFRBLSHGFU-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-22-10-9-15-11-20(25-3)21(26-4)12-17(15)18(22)13-19(23)14-5-7-16(24-2)8-6-14/h5-8,11-12,18-19,23H,9-10,13H2,1-4H3","""AuxInfo=1/0/N:24,1,18,15,5,25,4,26,21,22,19,12,9,6,20,3,11,10,7,16,13,23,8,2,17,14/E:(5,6)(7,8)/rA:26COCCCCCOCCCCCOCCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;d11;s12;s13;s14;d13;s16;s17;s16;s11d19;s20;s21;s10s22;s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828291;CHEMBL828179;CHEMBL828180;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,1;0;0;1;0;0;1,0,0,0;1;1;0;1;1;0,0,,=,  5.340;  5.570;  7.220;  6.620;  4.660;  6.420;  3.921,5.678999999999999,1.073,0.43799999999999994,7.0,5.57,0.91
-BFNKHJQEFAZUDE_on_Q14416_WT,High,ChEMBL30,CHEMBL4072134,COc1ncc(CNc2ccc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1,BFNKHJQEFAZUDE,BFNKHJQEFAZUDE-UHFFFAOYSA-N,"InChI=1S/C23H22ClN5O/c1-30-21-9-4-16(14-26-21)13-25-18-7-5-17(6-8-18)19-10-11-29-20(12-15-2-3-15)27-28-23(29)22(19)24/h4-11,14-15,25H,2-3,12-13H2,1H3","""AuxInfo=1/0/N:1,22,23,29,11,27,10,28,30,26,25,20,7,5,21,6,12,9,13,19,3,14,16,15,8,4,18,17,24,2/E:(2,3)(5,6)(7,8)/rA:30COCNCCCNCCCCCCClCNNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s13d25;s12;s9d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,0;1;0,1;0;0,0,,=,  8.130;  7.810;  6.820,7.587000000000001,0.5579999999999999,0.39399999999999996,3.0,7.81,0.32
-BFQIOOYNLCWKIJ_on_O15399_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_O60391_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFQIOOYNLCWKIJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL283036,FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,BFQIOOYNLCWKIJ,BFQIOOYNLCWKIJ-UHFFFAOYSA-N,"InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,6,26,7,25,21,11,23,10,24,15,13,14,5,8,18,17,2,1,3,4,22,16,12,9/E:(3,4)(5,6)(8,9)(10,11)(20,21,22)/rA:26FCFFCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFRVSLMMVORKLE_on_P41594_WT,High,ChEMBL30,CHEMBL3605280,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ncccc1)n2,BFRVSLMMVORKLE,BFRVSLMMVORKLE-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3/c20-14-6-4-13(5-7-14)19(24)23-10-8-15-16(11-23)26-18(22-15)12-25-17-3-1-2-9-21-17/h1-7,9H,8,10-12H2","""AuxInfo=1/0/N:24,23,25,4,9,5,8,12,22,11,15,18,3,6,13,14,20,17,2,7,21,26,10,1,19,16/E:(4,5)(6,7)/rA:26OCCCCCFCCNCCCCCOCCOCNCCCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  5.610;  5.610,5.61,0.0,0.0,2.0,5.61,0.0
-BFSZTVJASCMEGO_on_Q14833_WT,Low,ChEMBL30,CHEMBL3960293,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1,BFSZTVJASCMEGO,BFSZTVJASCMEGO-UHFFFAOYSA-N,"InChI=1S/C19H15Cl2N3O3S2/c20-13-7-6-12(14(21)9-13)10-29(26,27)18-16(11-4-5-11)23-19(28-18)24-17(25)15-3-1-2-8-22-15/h1-3,6-9,11H,4-5,10H2,(H,23,24,25)","""AuxInfo=1/1/N:26,27,25,8,9,16,17,28,20,14,7,15,18,21,24,6,2,10,4,19,22,29,5,3,1,12,13,23,11/E:(4,5)(26,27)/CRV:29.6/rA:29OCNCNCCCCCSOOCCCCCClCCClSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;d17;s18;s18;s15d20;s21;s4s10;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_O15399_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_O60391_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUBGEOPCXZUKU_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194916,CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C,BFUBGEOPCXZUKU,BFUBGEOPCXZUKU-UHFFFAOYSA-N,"InChI=1S/C29H41N3O/c1-18-7-5-6-8-26(18)32-27(30)31-21-13-15-28(3)20(17-21)9-10-22-24-12-11-23(19(2)33)29(24,4)16-14-25(22)28/h5-9,21-25H,10-17H2,1-4H3,(H3,30,31,32)","""AuxInfo=1/1/N:20,1,28,33,22,23,21,24,10,9,5,6,25,30,26,31,12,19,2,11,13,8,4,7,29,18,15,27,32,16,14,17,3/rA:33CCOCCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;w?14;s15;s15;s17;d18;s19;s19;d21;s22;s18d23;s13;s25;s11s26;s27;s8s27;s29;s30;s4s7s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BFUGAQUBEYHYJS_on_Q14416_WT,High,ChEMBL30,CHEMBL369526,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(C(=O)NS(C)(=O)=O)cc1)c2,BFUGAQUBEYHYJS,BFUGAQUBEYHYJS-UHFFFAOYSA-N,"InChI=1S/C24H25Cl2NO5S/c1-24(17-5-3-4-6-17)12-16-11-18(20(25)21(26)19(16)22(24)28)32-13-14-7-9-15(10-8-14)23(29)27-33(2,30)31/h7-11,17H,3-6,12-13H2,1-2H3,(H,27,29)","""AuxInfo=1/1/N:1,28,5,6,4,7,21,32,22,31,33,8,19,20,23,9,3,17,10,15,13,11,24,2,16,14,26,12,25,29,30,18,27/E:(3,4)(5,6)(7,8)(9,10)(30,31)/CRV:33.6/rA:33CCCCCCCCCCCOCClCClCOCCCCCCONSCOOCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;d22;s23;d24;s24;s26;s27;d27;d27;s23;s20d31;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-BFYHWKUPUZZQOO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114183,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1F,BFYHWKUPUZZQOO,BFYHWKUPUZZQOO-UHFFFAOYSA-N,"InChI=1S/C22H24FN3O2/c1-13-9-17(10-14(2)24-13)21-19-7-8-28-15(3)12-26(19)22(25-21)16-5-6-18(23)20(11-16)27-4/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,27,17,3,8,6,28,13,7,24,2,20/E:(1,2)(9,10)(13,14)/rA:28COCCCCNCCCCCNCCCCCCOCCCNCCCF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-BFYPDGJPZRDWSM_on_Q13224_WT,High,ChEMBL30,CHEMBL4284348,Oc1ccc2CCC(NCCCCc3ccccc3)CCc2c1,BFYPDGJPZRDWSM,BFYPDGJPZRDWSM-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,11,14,16,20,22-23H,4-5,8-10,12-13,15H2","""AuxInfo=1/0/N:17,16,18,12,11,15,19,13,6,21,4,7,20,3,10,23,14,5,22,8,2,9,1/E:(2,3)(6,7)/rA:23OCCCCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s8;s20;s5s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4254520,PMID:29289890,2018.0,PMID:29289890,2018,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-BGBJKWZKWMECPO_on_P31644_WT,High,ChEMBL30,CHEMBL3681465,Cc1c(CNc2ccccn2)c(-c2ccccc2)no1,BGBJKWZKWMECPO,BGBJKWZKWMECPO-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-12-14(11-18-15-9-5-6-10-17-15)16(19-20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,16,15,17,8,9,14,18,7,10,4,2,13,3,6,12,11,5,19,20/E:(3,4)(7,8)/rA:20CCCCNCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s3;s12;d13;s14;d15;s16;s13d17;d12;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-BGBNSGJZJHYDLU_on_P31644_WT,High,ChEMBL30,CHEMBL3676473,Cc1c(COc2ccc(C(=O)NCc3nc(C#N)cs3)cn2)c(-c2ccccc2)no1,BGBNSGJZJHYDLU,BGBNSGJZJHYDLU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O3S/c1-14-18(21(27-30-14)15-5-3-2-4-6-15)12-29-19-8-7-16(10-24-19)22(28)25-11-20-26-17(9-23)13-31-20/h2-8,10,13H,11-12H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,27,26,28,25,29,8,7,17,21,13,4,19,2,24,9,16,3,6,14,23,10,18,22,12,15,30,11,5,31,20/E:(3,4)(5,6)/rA:31CCCCOCCCCCONCCNCCNCSCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;s16;t17;d16;s14s19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-BGCVQXIDOHQTKF_on_Q14833_WT,High,ChEMBL30,CHEMBL1672235,COc1cc(NC(=O)c2nccnc2)ccc1NC(=O)c1ccccc1Cl,BGCVQXIDOHQTKF,BGCVQXIDOHQTKF-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-11-21-8-9-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,23,24,22,25,15,16,12,11,4,14,5,21,26,17,9,3,19,7,27,13,10,6,18,20,8,2/rA:27COCCCNCOCNCCNCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-BGFSOIDVHVYBNO_on_Q13224_WT,High,ChEMBL30,CHEMBL221133,O=C(OC1Cc2c(cccc2)C1)N1CCC(CNc2ncccn2)CC1,BGFSOIDVHVYBNO,BGFSOIDVHVYBNO-UHFFFAOYSA-N,"InChI=1S/C20H24N4O2/c25-20(26-18-12-16-4-1-2-5-17(16)13-18)24-10-6-15(7-11-24)14-23-19-21-8-3-9-22-19/h1-5,8-9,15,18H,6-7,10-14H2,(H,21,22,23)","""AuxInfo=1/1/N:9,10,22,8,11,15,25,21,23,14,26,12,5,17,16,7,6,4,19,2,20,24,18,13,1,3/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(21,22)/rA:26OCOCCCCCCCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s4s7;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-BGGCZORPGAXQJX_on_P18507_WT,Low,ChEMBL30,CHEMBL1783274,CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,BGGCZORPGAXQJX,BGGCZORPGAXQJX-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,20,2,16,24,23,17,12,13,25,11,21,18,10,26,9,6,4,22,27,3,8,7,5,14,19/rA:27CCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s19;d10;s21;s21;d23;s9s24;s6d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-BGGCZORPGAXQJX_on_P28472_WT,Low,ChEMBL30,CHEMBL1783274,CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,BGGCZORPGAXQJX,BGGCZORPGAXQJX-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,20,2,16,24,23,17,12,13,25,11,21,18,10,26,9,6,4,22,27,3,8,7,5,14,19/rA:27CCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s19;d10;s21;s21;d23;s9s24;s6d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-BGGCZORPGAXQJX_on_P47869_WT,Low,ChEMBL30,CHEMBL1783274,CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,BGGCZORPGAXQJX,BGGCZORPGAXQJX-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,20,2,16,24,23,17,12,13,25,11,21,18,10,26,9,6,4,22,27,3,8,7,5,14,19/rA:27CCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s19;d10;s21;s21;d23;s9s24;s6d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-BGGSFRYHUXBRMW_on_P31644_WT,High,ChEMBL30,CHEMBL3681591,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccncn2)no1,BGGSFRYHUXBRMW,BGGSFRYHUXBRMW-UHFFFAOYSA-N,"InChI=1S/C18H17N5O3/c1-11-14(17(23-26-11)15-6-7-19-10-21-15)9-25-16-5-2-12(8-20-16)18(24)22-13-3-4-13/h2,5-8,10,13H,3-4,9H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,14,15,7,20,21,16,4,23,2,9,13,3,19,6,18,10,22,17,24,12,25,11,5,26/E:(3,4)/rA:26CCCCOCCCCCONCCCCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-BGKFPRIGXAVYNX_on_O15399_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_O60391_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_Q05586_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_Q12879_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_Q13224_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGKFPRIGXAVYNX_on_Q14957_WT,Low,ChEMBL30,CHEMBL50267,O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2,BGKFPRIGXAVYNX,BGKFPRIGXAVYNX-UHFFFAOYSA-N,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,16,10,14,11,6,4,8,7,2,15,12,5,9,1,3/E:(15,16)/rA:16OCOCNCCCOCCClCCClC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s4d8;s7;s11;d11;s13;s14;s6d14;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BGOFVWMHMQISHB_on_O00222_WT,High,ChEMBL30,CHEMBL3114673,NC(CCP(=O)(O)C(O)c1ccc(OCC(=O)O)cc1)C(=O)O,BGOFVWMHMQISHB,BGOFVWMHMQISHB-UHFFFAOYSA-N,"InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,20,12,19,3,4,15,10,13,2,16,21,8,1,17,18,22,23,9,6,7,14,5/E:(1,2)(3,4)(15,16)(17,18)(20,21)/rA:23NCCCPOOCOCCCCOCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;d16;s16;s13;s10d19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-BGOFVWMHMQISHB_on_O15303_WT,High,ChEMBL30,CHEMBL3114673,NC(CCP(=O)(O)C(O)c1ccc(OCC(=O)O)cc1)C(=O)O,BGOFVWMHMQISHB,BGOFVWMHMQISHB-UHFFFAOYSA-N,"InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,20,12,19,3,4,15,10,13,2,16,21,8,1,17,18,22,23,9,6,7,14,5/E:(1,2)(3,4)(15,16)(17,18)(20,21)/rA:23NCCCPOOCOCCCCOCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;d16;s16;s13;s10d19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-BGOFVWMHMQISHB_on_Q14833_WT,High,ChEMBL30,CHEMBL3114673,NC(CCP(=O)(O)C(O)c1ccc(OCC(=O)O)cc1)C(=O)O,BGOFVWMHMQISHB,BGOFVWMHMQISHB-UHFFFAOYSA-N,"InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,20,12,19,3,4,15,10,13,2,16,21,8,1,17,18,22,23,9,6,7,14,5/E:(1,2)(3,4)(15,16)(17,18)(20,21)/rA:23NCCCPOOCOCCCCOCCOOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;d16;s16;s13;s10d19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-BGRBUCCEESMYPT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111874,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1,BGRBUCCEESMYPT,BGRBUCCEESMYPT-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2FN3O/c1-12-7-15(8-13(2)25-12)20-19-5-6-28-16(10-24)11-27(19)21(26-20)14-3-4-17(22)18(23)9-14/h3-4,7-9,16H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,27,17,18,7,8,3,25,23,11,13,2,26,16,4,10,19,21,6,5,15,20,22,12,28,24,14,9/E:(1,2)(7,8)(12,13)/rA:28CCCCCCCCOCCFCNCCCCCClCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-BGVDDMWFMIAGGF_on_P14867_WT,Low,ChEMBL30,CHEMBL206620,Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F,BGVDDMWFMIAGGF,BGVDDMWFMIAGGF-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H,"""AuxInfo=1/0/N:24,15,25,14,4,3,23,16,19,18,7,5,6,20,2,26,12,10,21,11,1,27,13,22,17,8,9/rA:27FCCCCCCNNCCCFCCCNCCCCNCCCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s5;s2d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-BGVDDMWFMIAGGF_on_P18507_WT,Low,ChEMBL30,CHEMBL206620,Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F,BGVDDMWFMIAGGF,BGVDDMWFMIAGGF-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H,"""AuxInfo=1/0/N:24,15,25,14,4,3,23,16,19,18,7,5,6,20,2,26,12,10,21,11,1,27,13,22,17,8,9/rA:27FCCCCCCNNCCCFCCCNCCCCNCCCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s5;s2d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865019;CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.620;  8.850;  9.300,8.923,0.282,0.2,3.0,8.85,0.23
-BGVDDMWFMIAGGF_on_P28472_WT,Low,ChEMBL30,CHEMBL206620,Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F,BGVDDMWFMIAGGF,BGVDDMWFMIAGGF-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H,"""AuxInfo=1/0/N:24,15,25,14,4,3,23,16,19,18,7,5,6,20,2,26,12,10,21,11,1,27,13,22,17,8,9/rA:27FCCCCCCNNCCCFCCCNCCCCNCCCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s5;s2d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865018;CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300;  8.620;  8.850,8.923,0.282,0.2,3.0,8.85,0.23
-BGVDDMWFMIAGGF_on_P31644_WT,Low,ChEMBL30,CHEMBL206620,Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F,BGVDDMWFMIAGGF,BGVDDMWFMIAGGF-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H,"""AuxInfo=1/0/N:24,15,25,14,4,3,23,16,19,18,7,5,6,20,2,26,12,10,21,11,1,27,13,22,17,8,9/rA:27FCCCCCCNNCCCFCCCNCCCCNCCCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s5;s2d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-BGVDDMWFMIAGGF_on_P34903_WT,Low,ChEMBL30,CHEMBL206620,Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F,BGVDDMWFMIAGGF,BGVDDMWFMIAGGF-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H,"""AuxInfo=1/0/N:24,15,25,14,4,3,23,16,19,18,7,5,6,20,2,26,12,10,21,11,1,27,13,22,17,8,9/rA:27FCCCCCCNNCCCFCCCNCCCCNCCCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s5;s2d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-BGXTYTCBNXGQNV_on_Q12879_WT,Low,ChEMBL30,CHEMBL146764,Cc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,BGXTYTCBNXGQNV,BGXTYTCBNXGQNV-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-14-18-17(20-19-14)22-12-11-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,22,3,4,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BGXTYTCBNXGQNV_on_Q13224_WT,Medium,ChEMBL30,CHEMBL146764,Cc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,BGXTYTCBNXGQNV,BGXTYTCBNXGQNV-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-14-18-17(20-19-14)22-12-11-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,22,3,4,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-BGXTYTCBNXGQNV_on_Q14957_WT,Low,ChEMBL30,CHEMBL146764,Cc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,BGXTYTCBNXGQNV,BGXTYTCBNXGQNV-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-14-18-17(20-19-14)22-12-11-21-9-7-16(8-10-21)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,22,3,4,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BGZRYVWWMJHNHC_on_P14867_WT,Low,ChEMBL30,CHEMBL273680,c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,BGZRYVWWMJHNHC,BGZRYVWWMJHNHC-UHFFFAOYSA-N,"InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)","""AuxInfo=1/1/N:1,14,2,27,13,15,23,24,3,26,12,16,22,25,5,4,11,21,20,7,10,19,6,17,18,8,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BGZRYVWWMJHNHC_on_P31644_WT,Low,ChEMBL30,CHEMBL273680,c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,BGZRYVWWMJHNHC,BGZRYVWWMJHNHC-UHFFFAOYSA-N,"InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)","""AuxInfo=1/1/N:1,14,2,27,13,15,23,24,3,26,12,16,22,25,5,4,11,21,20,7,10,19,6,17,18,8,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BGZRYVWWMJHNHC_on_P34903_WT,Low,ChEMBL30,CHEMBL273680,c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,BGZRYVWWMJHNHC,BGZRYVWWMJHNHC-UHFFFAOYSA-N,"InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)","""AuxInfo=1/1/N:1,14,2,27,13,15,23,24,3,26,12,16,22,25,5,4,11,21,20,7,10,19,6,17,18,8,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BGZRYVWWMJHNHC_on_P47869_WT,Low,ChEMBL30,CHEMBL273680,c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,BGZRYVWWMJHNHC,BGZRYVWWMJHNHC-UHFFFAOYSA-N,"InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)","""AuxInfo=1/1/N:1,14,2,27,13,15,23,24,3,26,12,16,22,25,5,4,11,21,20,7,10,19,6,17,18,8,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BHDDREQDTGAKAN_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163916,O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1,BHDDREQDTGAKAN,BHDDREQDTGAKAN-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N2O3/c18-10-6-12(19)14-11(15(17(23)24)21-13(14)7-10)8-20-16(22)9-4-2-1-3-5-9/h1-7,21H,8H2,(H,20,22)(H,23,24)","""AuxInfo=1/1/N:22,21,23,20,24,15,12,4,19,13,5,16,11,18,6,2,7,14,17,3,10,1,8,9/E:(2,3)(4,5)(23,24)/rA:24OCNCCCCOONCCCClCCClCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s7;s6;s10;d11;s12;s13;d13;s15;s16;s5s11d16;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-BHDZUAZIRRYQON_on_P41594_WT,Low,ChEMBL30,CHEMBL224375,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C(F)(F)F)cc2)c1=O,BHDZUAZIRRYQON,BHDZUAZIRRYQON-UHFFFAOYSA-N,"InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,24,17,25,9,8,14,19,16,4,5,12,11,6,26,20,21,22,23,7,13,2,15,27,10/E:(1,2)(3,4)(5,6)(19,20,21)/rA:27CNCCCCNCCSCCNCNCCCCCFFFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s11s15;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BHDZUAZIRRYQON_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11560185;CHEMBL224375,CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(C(F)(F)F)cc2)cn1,BHDZUAZIRRYQON,BHDZUAZIRRYQON-UHFFFAOYSA-N,"InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,24,17,25,5,6,26,19,16,4,9,10,11,8,13,20,21,22,23,7,27,2,15,14,12/E:(1,2)(3,4)(5,6)(19,20,21)/rA:27CNCCCCNCCCCSCONCCCCCFFFCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s15;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  7.495;  7.500,7.497999999999999,0.002,0.002,2.0,7.497999999999999,0.002
-BHEAJYIVALSJBE_on_P31644_WT,High,ChEMBL30,CHEMBL3676534,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccc2F)no1,BHEAJYIVALSJBE,BHEAJYIVALSJBE-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O3/c1-11-14(17(26-29-11)13-4-2-3-5-15(13)20)9-28-16-7-6-12(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,24,22,25,8,7,18,4,13,2,9,21,3,26,6,20,10,14,27,15,16,17,19,12,28,11,5,29/E:(21,22,23)/rA:29CCCCOCCCCCONCCFFFCNCCCCCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;s26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-BHEYXHBTVHTOAL_on_P41594_WT,Medium,ChEMBL30,CHEMBL396691,Cc1nc(NC(=O)c2cccc3c2nc(O)o3)ccc1,BHEYXHBTVHTOAL,BHEYXHBTVHTOAL-UHFFFAOYSA-N,"InChI=1S/C14H11N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-7H,1H3,(H,17,19)(H,15,16,18)","""AuxInfo=1/1/N:1,19,10,20,9,11,18,2,8,12,4,13,6,15,3,5,14,7,16,17/rA:20CCNCNCOCCCCCCNCOOCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;d14;s15;s12s15;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912;CHEMBL885913,PMID:17189691,2007.0,PMID:17189691,2007,0;1,0,0,1;0,0,,=,  7.020;  7.220,7.12,0.1,0.1,2.0,7.12,0.1
-BHFRZNUWOWEKSC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3985799,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)cc(C)n1,BHFRZNUWOWEKSC,BHFRZNUWOWEKSC-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c1-12-9-15(10-13(2)26-12)19-18-5-7-29-8-6-28(18)20(27-19)14-3-4-17(22)16(11-14)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,19,17,6,5,13,20,18,21,22,23,29,25,12,9/E:(1,2)(9,10)(12,13)(23,24,25)/rA:29CCCCCCCCOCCNCCCCCClCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s20;s20;s14d19;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-BHJKLRZKDBSSKN_on_P14867_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-BHJKLRZKDBSSKN_on_P18507_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677847;CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.340;  6.500;  6.570,6.47,0.096,0.068,3.0,6.5,0.07
-BHJKLRZKDBSSKN_on_P28472_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.500;  6.570,6.535,0.035,0.035,2.0,6.535,0.035
-BHJKLRZKDBSSKN_on_P34903_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-BHJKLRZKDBSSKN_on_P47869_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-BHJKLRZKDBSSKN_on_P47870_WT,Low,ChEMBL30,CHEMBL281480,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC,BHJKLRZKDBSSKN,BHJKLRZKDBSSKN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,26,2,22,9,8,21,23,10,6,17,7,20,16,24,4,19,14,12,18,11,5,15,13,25,3/rA:26CCOCOCCCCCNCOCOCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-BHOLPZFHFOLKCI_on_P41594_WT,High,ChEMBL30,CHEMBL225124,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O,BHOLPZFHFOLKCI,BHOLPZFHFOLKCI-UHFFFAOYSA-N,"InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,8,14,19,16,4,5,12,11,6,23,20,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCNCNCCCCFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-BHOLPZFHFOLKCI_on_Q13255_WT,High,ChEMBL30,CHEMBL225124,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O,BHOLPZFHFOLKCI,BHOLPZFHFOLKCI-UHFFFAOYSA-N,"InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,8,14,19,16,4,5,12,11,6,23,20,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCNCNCCCCFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-BHTUUDSDKHJFKW_on_O00222_WT,High,ChEMBL30,CHEMBL4101241,Cc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],BHTUUDSDKHJFKW,BHTUUDSDKHJFKW-UHFFFAOYSA-N,"InChI=1S/C12H17N2O7P/c1-7-2-3-8(6-10(7)14(18)19)12(17)22(20,21)5-4-9(13)11(15)16/h2-3,6,9,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,3,4,12,11,18,2,5,13,19,15,6,14,20,16,17,7,21,22,9,10,8/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22CCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.250;  5.800,5.525,0.275,0.275,2.0,5.525,0.275
-BHTUUDSDKHJFKW_on_O15303_WT,High,ChEMBL30,CHEMBL4101241,Cc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],BHTUUDSDKHJFKW,BHTUUDSDKHJFKW-UHFFFAOYSA-N,"InChI=1S/C12H17N2O7P/c1-7-2-3-8(6-10(7)14(18)19)12(17)22(20,21)5-4-9(13)11(15)16/h2-3,6,9,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,3,4,12,11,18,2,5,13,19,15,6,14,20,16,17,7,21,22,9,10,8/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22CCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-BHTUUDSDKHJFKW_on_Q14833_WT,High,ChEMBL30,CHEMBL4101241,Cc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],BHTUUDSDKHJFKW,BHTUUDSDKHJFKW-UHFFFAOYSA-N,"InChI=1S/C12H17N2O7P/c1-7-2-3-8(6-10(7)14(18)19)12(17)22(20,21)5-4-9(13)11(15)16/h2-3,6,9,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,3,4,12,11,18,2,5,13,19,15,6,14,20,16,17,7,21,22,9,10,8/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22CCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.550;  5.480,5.515,0.035,0.035,2.0,5.515,0.035
-BHTWSRGXUNUBLX_on_O00591_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_O14764_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P14867_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P18505_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P18507_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P28472_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P31644_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P34903_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P47869_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P47870_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P48169_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_P78334_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHTWSRGXUNUBLX_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322872,CCCCc1nc(N)ccc1C(=O)O,BHTWSRGXUNUBLX,BHTWSRGXUNUBLX-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,8,6,13,14/E:(13,14)/rA:14CCCCCNCNCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.150;  5.150,5.15,0.0,0.0,2.0,5.15,0.0
-BHXPHZOOSSXCHR_on_O15399_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.720;  8.100,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_O60391_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.720;  8.100,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.720;  8.100,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_Q05586_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100;  7.720,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_Q12879_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100;  7.720,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_Q13224_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.720;  8.100,7.91,0.19,0.19,2.0,7.91,0.19
-BHXPHZOOSSXCHR_on_Q14957_WT,Low,ChEMBL30,CHEMBL166599,CNc1ccnc(N2CCc3c(cccc3)C2)c1,BHXPHZOOSSXCHR,BHXPHZOOSSXCHR-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,4,10,5,9,18,17,11,12,3,7,2,6,8/rA:18CNCCCNCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.720;  8.100,7.91,0.19,0.19,2.0,7.91,0.19
-BIAILNXDSFKQIR_on_O00222_WT,High,ChEMBL30,CHEMBL4076894,NC(CCP(=O)(O)C(O)c1coc(C(=O)O)c1)C(=O)O,BIAILNXDSFKQIR,BIAILNXDSFKQIR-UHFFFAOYSA-N,"InChI=1S/C10H14NO8P/c11-6(8(12)13)1-2-20(17,18)10(16)5-3-7(9(14)15)19-4-5/h3-4,6,10,16H,1-2,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,14,8,1,19,20,15,16,9,6,7,12,5/E:(12,13)(14,15)(17,18)/rA:20NCCCPOOCOCCOCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-BIAILNXDSFKQIR_on_Q14833_WT,High,ChEMBL30,CHEMBL4076894,NC(CCP(=O)(O)C(O)c1coc(C(=O)O)c1)C(=O)O,BIAILNXDSFKQIR,BIAILNXDSFKQIR-UHFFFAOYSA-N,"InChI=1S/C10H14NO8P/c11-6(8(12)13)1-2-20(17,18)10(16)5-3-7(9(14)15)19-4-5/h3-4,6,10,16H,1-2,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,14,8,1,19,20,15,16,9,6,7,12,5/E:(12,13)(14,15)(17,18)/rA:20NCCCPOOCOCCOCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-BIBRQTYVULTGSH_on_P14867_WT,Low,ChEMBL30,CHEMBL48211,Cc1c2c(ccc1)-n1cnc(-c3noc(C4CC4)n3)c1CN2C(=O)N1CCOCC1,BIBRQTYVULTGSH,BIBRQTYVULTGSH-UHFFFAOYSA-N,"InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3","""AuxInfo=1/0/N:1,6,7,5,17,18,26,30,27,29,21,9,2,16,4,20,11,3,12,15,23,10,19,13,25,22,8,24,28,14/E:(5,6)(7,8)(9,10)/rA:30CCCCCCCNCNCCNOCCCCNCCNCONCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;d9;s10;s11;d12;s13;s14;s15;s16;s16s17;s12d15;s8d11;s20;s3s21;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-BIBRQTYVULTGSH_on_P18507_WT,Low,ChEMBL30,CHEMBL48211,Cc1c2c(ccc1)-n1cnc(-c3noc(C4CC4)n3)c1CN2C(=O)N1CCOCC1,BIBRQTYVULTGSH,BIBRQTYVULTGSH-UHFFFAOYSA-N,"InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3","""AuxInfo=1/0/N:1,6,7,5,17,18,26,30,27,29,21,9,2,16,4,20,11,3,12,15,23,10,19,13,25,22,8,24,28,14/E:(5,6)(7,8)(9,10)/rA:30CCCCCCCNCNCCNOCCCCNCCNCONCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;d9;s10;s11;d12;s13;s14;s15;s16;s16s17;s12d15;s8d11;s20;s3s21;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683024;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.520;  8.330,7.925,0.405,0.405,2.0,7.925,0.405
-BIBRQTYVULTGSH_on_P34903_WT,Low,ChEMBL30,CHEMBL48211,Cc1c2c(ccc1)-n1cnc(-c3noc(C4CC4)n3)c1CN2C(=O)N1CCOCC1,BIBRQTYVULTGSH,BIBRQTYVULTGSH-UHFFFAOYSA-N,"InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3","""AuxInfo=1/0/N:1,6,7,5,17,18,26,30,27,29,21,9,2,16,4,20,11,3,12,15,23,10,19,13,25,22,8,24,28,14/E:(5,6)(7,8)(9,10)/rA:30CCCCCCCNCNCCNOCCCCNCCNCONCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;d9;s10;s11;d12;s13;s14;s15;s16;s16s17;s12d15;s8d11;s20;s3s21;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-BIBRQTYVULTGSH_on_P47870_WT,Low,ChEMBL30,CHEMBL48211,Cc1c2c(ccc1)-n1cnc(-c3noc(C4CC4)n3)c1CN2C(=O)N1CCOCC1,BIBRQTYVULTGSH,BIBRQTYVULTGSH-UHFFFAOYSA-N,"InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3","""AuxInfo=1/0/N:1,6,7,5,17,18,26,30,27,29,21,9,2,16,4,20,11,3,12,15,23,10,19,13,25,22,8,24,28,14/E:(5,6)(7,8)(9,10)/rA:30CCCCCCCNCNCCNOCCCCNCCNCONCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;d9;s10;s11;d12;s13;s14;s15;s16;s16s17;s12d15;s8d11;s20;s3s21;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL683024;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.520;  8.330,7.925,0.405,0.405,2.0,7.925,0.405
-BIFRWXWQOHESSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL397814,FC(F)(F)c1cc(Cl)c(-n2cc(-c3ccccc3)nn2)c(Cl)c1,BIFRWXWQOHESSZ,BIFRWXWQOHESSZ-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BIFRWXWQOHESSZ_on_P47869_WT,Low,ChEMBL30,CHEMBL397814,FC(F)(F)c1cc(Cl)c(-n2cc(-c3ccccc3)nn2)c(Cl)c1,BIFRWXWQOHESSZ,BIFRWXWQOHESSZ-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BIFRWXWQOHESSZ_on_P47870_WT,Low,ChEMBL30,CHEMBL397814,FC(F)(F)c1cc(Cl)c(-n2cc(-c3ccccc3)nn2)c(Cl)c1,BIFRWXWQOHESSZ,BIFRWXWQOHESSZ-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BIHMYZHWJAFHBO_on_O00591_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_O14764_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P14867_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P18505_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P18507_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P28472_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P31644_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P34903_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P47869_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P47870_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P48169_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_P78334_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_Q16445_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHMYZHWJAFHBO_on_Q99928_WT,Low,ChEMBL30,CHEMBL91000,O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1,BIHMYZHWJAFHBO,BIHMYZHWJAFHBO-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c16-9-6-7-13-11(8-9)18-15(21-13)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,17,16,20,18,4,14,10,15,2,12,19,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCCClCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650070,PMID:11133077,2000.0,PMID:11133077,2000,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-BIHSKGYQWXRSGG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3984907,CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C,BIHSKGYQWXRSGG,BIHSKGYQWXRSGG-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)10-16(18(24)23(19)3)17-21-11-14(12-22-17)8-7-13-5-4-6-15(20)9-13/h4-6,9,11-12,16H,10H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,18,21,8,19,12,9,16,5,6,3,22,17,7,20,2,4/E:(1,2)(11,12)(21,22)/rA:24CNCOCCNCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-BIHSLTSGYFDSHV_on_O15303_WT,High,ChEMBL30,CHEMBL2381646;CHEMBL2381647,NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BIHSLTSGYFDSHV,BIHSLTSGYFDSHV-UHFFFAOYSA-N,"InChI=1S/C8H12N2O4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,9-10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,2,14,10,9,11,6,4,1,5,12,13,7,8/E:(11,12)(13,14)/rA:14NCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382646,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  4.930;  5.030,4.98,0.05,0.05,2.0,4.98,0.05
-BIHSLTSGYFDSHV_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2381647;CHEMBL2381647;CHEMBL2381646;11275666,NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BIHSLTSGYFDSHV,BIHSLTSGYFDSHV-UHFFFAOYSA-N,"InChI=1S/C8H12N2O4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,9-10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,2,14,10,9,11,6,4,1,5,12,13,7,8/E:(11,12)(13,14)/rA:14NCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217;CHEMBL2383450;PubChemAID:748171,PMID:23675965,2013.0,PMID:29350927;PMID:29350927;PMID:23675965;PubChemAID:748171,2018;2018;2013;2014,0,1;0;1;0,0,0;1;0;0,0;0;0;1,,=,  7.670;  5.360;  7.320;  7.674,7.006,0.961,0.555,4.0,7.495,0.177
-BIHSLTSGYFDSHV_on_Q14832_WT,High,ChEMBL30;ExCAPE-DB;ExCAPE-DB;ChEMBL30;ChEMBL30,CHEMBL2381646;71681824;11275666;CHEMBL2381647;CHEMBL2381647,NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BIHSLTSGYFDSHV,BIHSLTSGYFDSHV-UHFFFAOYSA-N,"InChI=1S/C8H12N2O4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,9-10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,2,14,10,9,11,6,4,1,5,12,13,7,8/E:(11,12)(13,14)/rA:14NCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2383344;PubChemAID:748167;PubChemAID:748167;CHEMBL4023218;CHEMBL4023224,PMID:23675965,2013.0,PMID:23675965;PubChemAID:748167;PubChemAID:748167;PMID:29350927;PMID:29350927,2013;2014;2014;2018;2018,0,1;0;0;0;1,0,0;0;0;1;0,0;1;1;0;0,,=,  7.240;  7.243;  7.604;  6.550;  7.600,7.247000000000001,0.384,0.192,5.0,7.242999999999999,0.35700000000000004
-BIQNBHANPGMDHM_on_Q14416_WT,High,ChEMBL30,CHEMBL4066051,Cc1nc(C)c(Oc2c(Cl)cc(-c3c(C)c4nnc(CC5CC5)n4cc3)cc2)cc1,BIQNBHANPGMDHM,BIQNBHANPGMDHM-UHFFFAOYSA-N,"InChI=1S/C24H23ClN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3","""AuxInfo=1/0/N:1,15,5,30,22,23,27,29,28,26,25,20,11,2,14,4,21,12,13,9,6,8,19,16,10,3,18,17,24,7/E:(5,6)/rA:30CCNCCCOCCClCCCCCCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s13d25;s12;s8d27;s6;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040510;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,1;0;0,0;1;0,0,,=,  7.760;  7.830;  7.760,7.7829999999999995,0.033,0.023,3.0,7.76,0.0
-BITVMUKEYJGEDS_on_P41594_WT,High,ChEMBL30,CHEMBL1682816,O=C1CCOc2c1ccc(OCc1cc(F)ccc1)c2,BITVMUKEYJGEDS,BITVMUKEYJGEDS-UHFFFAOYSA-N,"InChI=1S/C16H13FO3/c17-12-3-1-2-11(8-12)10-20-13-4-5-14-15(18)6-7-19-16(14)9-13/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:18,19,17,9,8,3,4,14,20,12,13,15,10,7,2,6,16,1,5,11/rA:20OCCCOCCCCCOCCCCFCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.540;  6.590,6.565,0.025,0.025,2.0,6.565,0.025
-BIXHLDRPZYPCAH_on_P41594_WT,High,ChEMBL30,CHEMBL1290331,O=C(COCc1cscn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,BIXHLDRPZYPCAH,BIXHLDRPZYPCAH-UHFFFAOYSA-N,"InChI=1S/C16H17Cl2N3O2S/c17-12-1-2-15(14(18)7-12)20-3-5-21(6-4-20)16(22)9-23-8-13-10-24-11-19-13/h1-2,7,10-11H,3-6,8-9H2","""AuxInfo=1/0/N:17,16,13,23,12,24,20,5,3,7,9,18,6,21,15,2,19,22,10,14,11,1,4,8/E:(3,4)(5,6)/rA:24OCCOCCCSCNNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-BIXPIIQDABTEGZ_on_O00222_WT,High,ChEMBL30,CHEMBL4066249,NC(CCP(=O)(O)C(O)c1ccncc1)C(=O)O,BIXPIIQDABTEGZ,BIXPIIQDABTEGZ-UHFFFAOYSA-N,"InChI=1S/C10H15N2O5P/c11-8(9(13)14)3-6-18(16,17)10(15)7-1-4-12-5-2-7/h1-2,4-5,8,10,15H,3,6,11H2,(H,13,14)(H,16,17)","""AuxInfo=1/1/N:11,15,3,12,14,4,10,2,16,8,1,13,17,18,9,6,7,5/E:(1,2)(4,5)(13,14)(16,17)/rA:18NCCCPOOCOCCCNCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s10d14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-BIXPIIQDABTEGZ_on_Q14833_WT,High,ChEMBL30,CHEMBL4066249,NC(CCP(=O)(O)C(O)c1ccncc1)C(=O)O,BIXPIIQDABTEGZ,BIXPIIQDABTEGZ-UHFFFAOYSA-N,"InChI=1S/C10H15N2O5P/c11-8(9(13)14)3-6-18(16,17)10(15)7-1-4-12-5-2-7/h1-2,4-5,8,10,15H,3,6,11H2,(H,13,14)(H,16,17)","""AuxInfo=1/1/N:11,15,3,12,14,4,10,2,16,8,1,13,17,18,9,6,7,5/E:(1,2)(4,5)(13,14)(16,17)/rA:18NCCCPOOCOCCCNCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s10d14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-BIZATFGCHCLCSE_on_P41594_WT,High,ChEMBL30,CHEMBL3702371,COc1ccc(C)c(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,BIZATFGCHCLCSE,BIZATFGCHCLCSE-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-14-7-8-15(26-2)11-18(14)19-12-20-16-5-4-6-21(27-3)17(16)9-10-24(20)22(25)13-23-19/h4-8,11-12H,9-10,13H2,1-3H3","""AuxInfo=1/0/N:7,1,24,20,19,21,5,4,16,15,27,26,11,6,3,18,17,8,9,25,22,12,10,14,13,2,23/rA:27COCCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;w?9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s14s18;s9w?25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-BIZATFGCHCLCSE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702371,COc1ccc(C)c(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,BIZATFGCHCLCSE,BIZATFGCHCLCSE-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-14-7-8-15(26-2)11-18(14)19-12-20-16-5-4-6-21(27-3)17(16)9-10-24(20)22(25)13-23-19/h4-8,11-12H,9-10,13H2,1-3H3","""AuxInfo=1/0/N:7,1,24,20,19,21,5,4,16,15,27,26,11,6,3,18,17,8,9,25,22,12,10,14,13,2,23/rA:27COCCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;w?9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s14s18;s9w?25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BIZBKGBTDMATHV_on_Q14416_WT,High,ChEMBL30,CHEMBL1098406,O=C1OC(COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1,BIZBKGBTDMATHV,BIZBKGBTDMATHV-UHFFFAOYSA-N,"InChI=1S/C17H14F3NO3/c18-17(19,20)12-6-8-14(9-7-12)23-11-15-10-21(16(22)24-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2","""AuxInfo=1/0/N:22,21,23,20,24,9,15,8,16,17,5,10,19,7,4,2,11,12,13,14,18,1,6,3/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:24OCOCCOCCCCCFFFCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s7d15;s4;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-BJGAJTMYBFSCLX_on_Q13255_WT,High,ChEMBL30,CHEMBL3422887,N#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1ccccc1)C2,BJGAJTMYBFSCLX,BJGAJTMYBFSCLX-UHFFFAOYSA-N,"InChI=1S/C22H18FN3OS/c23-17-8-6-15(7-9-17)13-25-21-19(12-24)18-10-11-26(14-20(18)28-21)22(27)16-4-2-1-3-5-16/h1-9,25H,10-11,13-14H2","""AuxInfo=1/0/N:25,24,26,23,27,8,13,9,12,17,18,2,6,28,7,22,10,16,3,15,4,20,11,1,5,19,21,14/E:(2,3)(4,5)(6,7)(8,9)/rA:28NCCCNCCCCCFCCSCCCCNCOCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s7d12;s4;s14;s3d15;s16;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-BJHXXZFLVMWWEJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL382658;11608542,Cc1nc(C#Cc2cncc(C#CCO)c2)cs1,BJHXXZFLVMWWEJ,BJHXXZFLVMWWEJ-UHFFFAOYSA-N,"InChI=1S/C14H10N2OS/c1-11-16-14(10-18-11)5-4-13-7-12(3-2-6-17)8-15-9-13/h7-10,17H,6H2,1H3","""AuxInfo=1/0/N:1,13,12,6,5,14,16,10,8,17,2,11,7,4,9,3,15,18/rA:18CCNCCCCCNCCCCCOCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;t12;s13;s14;s7d11;d4;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  7.160;  7.164,7.162000000000001,0.002,0.002,2.0,7.162000000000001,0.002
-BJNGUNJQGGSHNX_on_Q14833_WT,Low,ChEMBL30,CHEMBL549670,O=C(Nc1cc(Cl)c(Cl)cc1)c1ccc(-c2ccccc2)o1,BJNGUNJQGGSHNX,BJNGUNJQGGSHNX-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2NO2/c18-13-7-6-12(10-14(13)19)20-17(21)16-9-8-15(22-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)","""AuxInfo=1/1/N:19,18,20,17,21,11,10,14,13,5,16,4,8,6,15,12,2,9,7,3,1,22/E:(2,3)(4,5)/rA:22OCNCCCClCClCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BJODMBLXUSZGOO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903901,CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,BJODMBLXUSZGOO,BJODMBLXUSZGOO-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O3/c1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12/h2-9H,10-11H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,9,14,19,15,18,10,27,20,7,3,8,13,16,11,12,26,21,4,22,28,17,23,25,2,6,5,24,29/E:(3,4)(5,6)/rA:29CNCCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s2s6;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-BJONIROKQJSCLF_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647559,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2)c1,BJONIROKQJSCLF,BJONIROKQJSCLF-UHFFFAOYSA-N,"InChI=1S/C21H19FN4O2S/c1-3-26-13-23-20-18(12-24-25-21(20)26)15-7-10-19(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,26,2,25,19,28,13,20,27,14,29,10,4,18,12,21,17,11,15,6,7,16,5,9,8,3,23,24,22/E:(5,6)(8,9)(27,28)/CRV:29.6/rA:29CCNCNCCNNCCCCCCFCCCCCSOOCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-BJOSRPYZPAPFLC_on_P41594_WT,Low,ChEMBL30,CHEMBL3655626,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1,BJOSRPYZPAPFLC,BJOSRPYZPAPFLC-UHFFFAOYSA-N,"InChI=1S/C16H11FN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22)","""AuxInfo=1/1/N:22,23,21,18,16,5,7,11,15,13,17,19,4,8,10,2,20,6,12,14,3,1,9/E:(8,9)(19,20)/rA:23OCNCCNCCOCCNCNCCCCCFCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BJPPTGLQJGWMJU_on_P41594_WT,Low,ChEMBL30,CHEMBL1093561,CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O,BJPPTGLQJGWMJU,BJPPTGLQJGWMJU-UHFFFAOYSA-N,"InChI=1S/C16H14N6OS/c1-8-3-5-9(6-4-8)22-7-19-11-10-13(17)20-16(18-2)21-14(10)24-12(11)15(22)23/h3-7H,1-2H3,(H3,17,18,20,21)","""AuxInfo=1/1/N:20,1,18,21,17,22,14,19,16,7,12,11,5,8,23,3,6,2,13,4,9,15,24,10/E:(3,4)(5,6)/rA:24CNCNCNCCNSCCNCNCCCCCCCCO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s8;s10;s7d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-BJPPTGLQJGWMJU_on_Q13255_WT,Low,ChEMBL30,CHEMBL1093561,CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O,BJPPTGLQJGWMJU,BJPPTGLQJGWMJU-UHFFFAOYSA-N,"InChI=1S/C16H14N6OS/c1-8-3-5-9(6-4-8)22-7-19-11-10-13(17)20-16(18-2)21-14(10)24-12(11)15(22)23/h3-7H,1-2H3,(H3,17,18,20,21)","""AuxInfo=1/1/N:20,1,18,21,17,22,14,19,16,7,12,11,5,8,23,3,6,2,13,4,9,15,24,10/E:(3,4)(5,6)/rA:24CNCNCNCCNSCCNCNCCCCCCCCO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s8;s10;s7d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BJRKRJUIRNGBEK_on_Q14833_WT,High,ChEMBL30,CHEMBL3809928,O=C(Nc1cn(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccn1,BJRKRJUIRNGBEK,BJRKRJUIRNGBEK-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-10-8-13(11-20)19-16(21)15-3-1-2-9-18-15/h1-11H,(H,19,21)","""AuxInfo=1/1/N:21,22,20,12,15,11,16,18,23,17,5,13,4,10,19,2,14,24,3,6,1,8,9,7/E:(4,5)(6,7)(22,23)/CRV:24.6/rA:24OCNCCNSOOCCCCFCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s6;s4d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.130;  6.130,6.13,0.0,0.0,2.0,6.13,0.0
-BJUAIMKVAAEGKG_on_P14867_WT,Low,ChEMBL30,CHEMBL3138315,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N)cc5)CCC4(C)C3CCC12C,BJUAIMKVAAEGKG,BJUAIMKVAAEGKG-UHFFFAOYSA-N,"InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,21,3,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BJUAIMKVAAEGKG_on_P18507_WT,Low,ChEMBL30,CHEMBL3138315,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N)cc5)CCC4(C)C3CCC12C,BJUAIMKVAAEGKG,BJUAIMKVAAEGKG-UHFFFAOYSA-N,"InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,21,3,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BJUAIMKVAAEGKG_on_P47870_WT,Low,ChEMBL30,CHEMBL3138315,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N)cc5)CCC4(C)C3CCC12C,BJUAIMKVAAEGKG,BJUAIMKVAAEGKG-UHFFFAOYSA-N,"InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,21,3,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BJWCHPTVHBYZPV_on_P18507_WT,Low,ChEMBL30,CHEMBL379788,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1,BJWCHPTVHBYZPV,BJWCHPTVHBYZPV-UHFFFAOYSA-N,"InChI=1S/C21H17FN8O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(23)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)22/h2-10,12H,11,23H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BJWCHPTVHBYZPV_on_P28472_WT,Low,ChEMBL30,CHEMBL379788,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1,BJWCHPTVHBYZPV,BJWCHPTVHBYZPV-UHFFFAOYSA-N,"InChI=1S/C21H17FN8O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(23)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)22/h2-10,12H,11,23H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BJWCHPTVHBYZPV_on_P34903_WT,Low,ChEMBL30,CHEMBL379788,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1,BJWCHPTVHBYZPV,BJWCHPTVHBYZPV-UHFFFAOYSA-N,"InChI=1S/C21H17FN8O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(23)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)22/h2-10,12H,11,23H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BJXNBMQKERYEQJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892253,CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1,BJXNBMQKERYEQJ,BJXNBMQKERYEQJ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-19(2)12-18(22)21(14-19)17-11-10-16(13-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-11,13H,12,14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,10,9,4,20,22,14,11,8,5,2,21,7,6/E:(1,2)(4,5)(6,7)/rA:22CCCCCONCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-BJYKRVMKNGJKKZ_on_P14867_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677037;CHEMBL677034,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  9.060;  9.060,9.06,0.0,0.0,2.0,9.06,0.0
-BJYKRVMKNGJKKZ_on_P18507_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682712;CHEMBL680435;CHEMBL677037;CHEMBL682082;CHEMBL682709;CHEMBL680432;CHEMBL680669;CHEMBL677034,PMID:15214791,2004.0,PMID:15084116;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791,2004,0,0,0,1,0,,=,  8.800;  8.890;  9.060;  9.100;  8.800;  8.890;  9.100;  9.060,8.963,0.12300000000000001,0.046,8.0,8.975,0.105
-BJYKRVMKNGJKKZ_on_P28472_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682712;CHEMBL677037;CHEMBL680435;CHEMBL682082;CHEMBL680432;CHEMBL677034;CHEMBL682709;CHEMBL680669,PMID:15214791,2004.0,PMID:15084116;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791,2004,0,0,0,1,0,,=,  8.800;  9.060;  8.890;  9.100;  8.890;  9.060;  8.800;  9.100,8.962,0.12300000000000001,0.046,8.0,8.975,0.105
-BJYKRVMKNGJKKZ_on_P31644_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL682082,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  9.100;  9.100,9.1,0.0,0.0,2.0,9.1,0.0
-BJYKRVMKNGJKKZ_on_P34903_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL680435,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  8.890;  8.890,8.89,0.0,0.0,2.0,8.89,0.0
-BJYKRVMKNGJKKZ_on_P47869_WT,Low,ChEMBL30,CHEMBL68490,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1,BJYKRVMKNGJKKZ,BJYKRVMKNGJKKZ-UHFFFAOYSA-N,"InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,17,26,25,4,3,5,27,24,18,7,2,16,6,22,23,13,21,12,9,28,20,19,10,14,11,8,15/rA:28CCCCCCCOCNNCCNOCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709;CHEMBL682712,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  8.800;  8.800,8.8,0.0,0.0,2.0,8.8,0.0
-BKAYOILNIKLHMI_on_P41594_WT,Low,ChEMBL30,CHEMBL2338559,CN(C(=O)c1cc(Cl)ccc1)C1CCCC(NC(=O)c2cc(Cl)ccc2)C1,BKAYOILNIKLHMI,BKAYOILNIKLHMI-UHFFFAOYSA-N,"InChI=1S/C21H22Cl2N2O2/c1-25(21(27)15-6-3-8-17(23)12-15)19-10-4-9-18(13-19)24-20(26)14-5-2-7-16(22)11-14/h2-3,5-8,11-12,18-19H,4,9-10,13H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,10,14,26,11,24,9,15,13,21,6,27,20,5,22,7,16,12,18,3,23,8,17,2,19,4/rA:27CNCOCCCClCCCCCCCCNCOCCCClCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d7;s9;s5d10;s2;s12;s13;s14;s15;s16;s17;d18;s18;d20;s21;s22;d22;s24;s20d25;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BKFHVPJRLKKUSD_on_P31644_WT,High,ChEMBL30,CHEMBL3681490,Cc1c(COc2ccc(C(=O)NCC(C)(C)CO)cn2)c(-c2ccccc2)no1,BKFHVPJRLKKUSD,BKFHVPJRLKKUSD-UHFFFAOYSA-N,"InChI=1S/C22H25N3O4/c1-15-18(20(25-29-15)16-7-5-4-6-8-16)12-28-19-10-9-17(11-23-19)21(27)24-13-22(2,3)14-26/h4-11,26H,12-14H2,1-3H3,(H,24,27)","""AuxInfo=1/1/N:1,15,16,25,24,26,23,27,8,7,19,4,13,17,2,22,9,3,6,21,10,14,20,12,28,18,11,5,29/E:(2,3)(5,6)(7,8)/rA:29CCCCOCCCCCONCCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-BKFSRIWWQZTOIW_on_P14867_WT,Low,ChEMBL30,CHEMBL383626,N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,BKFSRIWWQZTOIW,BKFSRIWWQZTOIW-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-15-8-13(16-4-2-1-3-12(16)10-25)7-14(9-15)17-11-26-19-27-18(20(22,23)24)5-6-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,25,26,28,10,13,2,16,3,9,14,11,8,15,20,18,21,12,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCCFCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-BKFSRIWWQZTOIW_on_P18507_WT,Low,ChEMBL30,CHEMBL383626,N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,BKFSRIWWQZTOIW,BKFSRIWWQZTOIW-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-15-8-13(16-4-2-1-3-12(16)10-25)7-14(9-15)17-11-26-19-27-18(20(22,23)24)5-6-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,25,26,28,10,13,2,16,3,9,14,11,8,15,20,18,21,12,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCCFCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004;CHEMBL864002;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  7.850;  8.280;  8.800,8.31,0.38799999999999996,0.275,3.0,8.28,0.43
-BKFSRIWWQZTOIW_on_P28472_WT,Low,ChEMBL30,CHEMBL383626,N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,BKFSRIWWQZTOIW,BKFSRIWWQZTOIW-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-15-8-13(16-4-2-1-3-12(16)10-25)7-14(9-15)17-11-26-19-27-18(20(22,23)24)5-6-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,25,26,28,10,13,2,16,3,9,14,11,8,15,20,18,21,12,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCCFCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864005;CHEMBL864002;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.800;  8.280;  7.850,8.31,0.38799999999999996,0.275,3.0,8.28,0.43
-BKFSRIWWQZTOIW_on_P31644_WT,Low,ChEMBL30,CHEMBL383626,N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,BKFSRIWWQZTOIW,BKFSRIWWQZTOIW-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-15-8-13(16-4-2-1-3-12(16)10-25)7-14(9-15)17-11-26-19-27-18(20(22,23)24)5-6-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,25,26,28,10,13,2,16,3,9,14,11,8,15,20,18,21,12,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCCFCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-BKFSRIWWQZTOIW_on_P34903_WT,Low,ChEMBL30,CHEMBL383626,N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1,BKFSRIWWQZTOIW,BKFSRIWWQZTOIW-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-15-8-13(16-4-2-1-3-12(16)10-25)7-14(9-15)17-11-26-19-27-18(20(22,23)24)5-6-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,25,26,28,10,13,2,16,3,9,14,11,8,15,20,18,21,12,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCCFCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BKGDQBJGYREIHW_on_P18507_WT,Low,ChEMBL30,CHEMBL577296,Cc1c2Cn3nccc3-c3c(cccc3)-n2cn1,BKGDQBJGYREIHW,BKGDQBJGYREIHW-UHFFFAOYSA-N,"InChI=1S/C14H12N4/c1-10-14-8-18-13(6-7-16-18)11-4-2-3-5-12(11)17(14)9-15-10/h2-7,9H,8H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,8,7,4,17,2,10,11,9,3,18,6,16,5/rA:18CCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-BKGDQBJGYREIHW_on_P28472_WT,Low,ChEMBL30,CHEMBL577296,Cc1c2Cn3nccc3-c3c(cccc3)-n2cn1,BKGDQBJGYREIHW,BKGDQBJGYREIHW-UHFFFAOYSA-N,"InChI=1S/C14H12N4/c1-10-14-8-18-13(6-7-16-18)11-4-2-3-5-12(11)17(14)9-15-10/h2-7,9H,8H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,8,7,4,17,2,10,11,9,3,18,6,16,5/rA:18CCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-BKGDQBJGYREIHW_on_P31644_WT,Low,ChEMBL30,CHEMBL577296,Cc1c2Cn3nccc3-c3c(cccc3)-n2cn1,BKGDQBJGYREIHW,BKGDQBJGYREIHW-UHFFFAOYSA-N,"InChI=1S/C14H12N4/c1-10-14-8-18-13(6-7-16-18)11-4-2-3-5-12(11)17(14)9-15-10/h2-7,9H,8H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,8,7,4,17,2,10,11,9,3,18,6,16,5/rA:18CCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-BKIXSCDBYYIHQI_on_P14867_WT,Low,ChEMBL30,CHEMBL204003,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1,BKIXSCDBYYIHQI,BKIXSCDBYYIHQI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,26,16,18,25,12,9,14,11,13,20,10,5,7,2,21,17,8,6,24,4/E:(1,2)(5,6)(8,9)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-BKIXSCDBYYIHQI_on_P18507_WT,Low,ChEMBL30,CHEMBL204003,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1,BKIXSCDBYYIHQI,BKIXSCDBYYIHQI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,26,16,18,25,12,9,14,11,13,20,10,5,7,2,21,17,8,6,24,4/E:(1,2)(5,6)(8,9)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.170;  8.650;  9.510,9.11,0.354,0.25,3.0,9.17,0.34
-BKIXSCDBYYIHQI_on_P28472_WT,Low,ChEMBL30,CHEMBL204003,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1,BKIXSCDBYYIHQI,BKIXSCDBYYIHQI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,26,16,18,25,12,9,14,11,13,20,10,5,7,2,21,17,8,6,24,4/E:(1,2)(5,6)(8,9)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL862572;CHEMBL863772;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.510;  9.170;  8.650,9.11,0.354,0.25,3.0,9.17,0.34
-BKIXSCDBYYIHQI_on_P31644_WT,Low,ChEMBL30,CHEMBL204003,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1,BKIXSCDBYYIHQI,BKIXSCDBYYIHQI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,26,16,18,25,12,9,14,11,13,20,10,5,7,2,21,17,8,6,24,4/E:(1,2)(5,6)(8,9)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-BKIXSCDBYYIHQI_on_P34903_WT,Low,ChEMBL30,CHEMBL204003,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1,BKIXSCDBYYIHQI,BKIXSCDBYYIHQI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,26,16,18,25,12,9,14,11,13,20,10,5,7,2,21,17,8,6,24,4/E:(1,2)(5,6)(8,9)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.650,8.65,0.0,0.0,1.0,8.65,0.0
-BKJDICAMUYQJHV_on_P18507_WT,Low,ChEMBL30,CHEMBL381670,N#Cc1cccc(-c2cc(-c3cc(F)c(F)cc3)nnc2)c1,BKJDICAMUYQJHV,BKJDICAMUYQJHV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,18,17,22,12,9,2,21,3,7,11,8,15,13,10,16,14,1,20,19/rA:22NCCCCCCCCCCCCFCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.890;  7.390,7.64,0.25,0.25,2.0,7.64,0.25
-BKJDICAMUYQJHV_on_P28472_WT,Low,ChEMBL30,CHEMBL381670,N#Cc1cccc(-c2cc(-c3cc(F)c(F)cc3)nnc2)c1,BKJDICAMUYQJHV,BKJDICAMUYQJHV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,18,17,22,12,9,2,21,3,7,11,8,15,13,10,16,14,1,20,19/rA:22NCCCCCCCCCCCCFCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.390;  7.890,7.64,0.25,0.25,2.0,7.64,0.25
-BKJDICAMUYQJHV_on_P31644_WT,Low,ChEMBL30,CHEMBL381670,N#Cc1cccc(-c2cc(-c3cc(F)c(F)cc3)nnc2)c1,BKJDICAMUYQJHV,BKJDICAMUYQJHV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,18,17,22,12,9,2,21,3,7,11,8,15,13,10,16,14,1,20,19/rA:22NCCCCCCCCCCCCFCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-BKJDICAMUYQJHV_on_P34903_WT,Low,ChEMBL30,CHEMBL381670,N#Cc1cccc(-c2cc(-c3cc(F)c(F)cc3)nnc2)c1,BKJDICAMUYQJHV,BKJDICAMUYQJHV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,18,17,22,12,9,2,21,3,7,11,8,15,13,10,16,14,1,20,19/rA:22NCCCCCCCCCCCCFCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-BKNOJJJPRAWRFA_on_Q14833_WT,High,ChEMBL30,CHEMBL4095448,ON=c1cc(C=Cc2ccccc2)oc2c1cccc2,BKNOJJJPRAWRFA,BKNOJJJPRAWRFA-UHFFFAOYSA-N,"InChI=1S/C17H13NO2/c19-18-16-12-14(11-10-13-6-2-1-3-7-13)20-17-9-5-4-8-15(16)17/h1-12,19H","""AuxInfo=1/0/N:11,10,12,18,19,9,13,17,20,7,6,4,8,5,16,3,15,2,1,14/E:(2,3)(6,7)/rA:20ONCCCCCCCCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;w?6;s7;d8;s9;d10;s11;s8d12;s5;s14;s3d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-BKOPYRHLBQSOIO_on_P41594_WT,High,ChEMBL30,CHEMBL3702413,O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(I)ccc3,BKOPYRHLBQSOIO,BKOPYRHLBQSOIO-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O2/c18-14-3-1-2-13-12(14)4-5-22-15(13)6-16(19-7-17(22)24)21-8-11(9-23)20-10-21/h1-3,6,8,10,23H,4-5,7,9H2","""AuxInfo=1/0/N:23,24,22,17,18,13,3,12,10,7,9,16,15,20,14,5,2,21,4,8,6,19,11,1/rA:24OCCNCNCNCCOCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;d20;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-BKOPYRHLBQSOIO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702413,O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(I)ccc3,BKOPYRHLBQSOIO,BKOPYRHLBQSOIO-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O2/c18-14-3-1-2-13-12(14)4-5-22-15(13)6-16(19-7-17(22)24)21-8-11(9-23)20-10-21/h1-3,6,8,10,23H,4-5,7,9H2","""AuxInfo=1/0/N:23,24,22,17,18,13,3,12,10,7,9,16,15,20,14,5,2,21,4,8,6,19,11,1/rA:24OCCNCNCNCCOCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;d20;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-BKOZTEJUHNEVPU_on_P14867_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297508;CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.460;  4.290,4.375,0.085,0.085,2.0,4.375,0.085
-BKOZTEJUHNEVPU_on_P18507_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297509;CHEMBL3297507;CHEMBL3297510;CHEMBL3297508,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.580;  4.290;  4.440;  4.460,4.4430000000000005,0.10300000000000001,0.059000000000000004,4.0,4.45,0.07
-BKOZTEJUHNEVPU_on_P28472_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3297508,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.460,4.46,0.0,0.0,1.0,4.46,0.0
-BKOZTEJUHNEVPU_on_P34903_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3297510,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.440,4.44,0.0,0.0,1.0,4.44,0.0
-BKOZTEJUHNEVPU_on_P47869_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3297509,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-BKOZTEJUHNEVPU_on_P47870_WT,Low,ChEMBL30,CHEMBL3289195,CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,BKOZTEJUHNEVPU,BKOZTEJUHNEVPU-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-3-11-19(12-4-2)18(20)8-6-5-7-15-9-10-16-17(13-15)22-14-21-16/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,11,13,10,19,18,3,5,15,21,14,17,16,8,4,9,20,22/E:(1,2)(3,4)(11,12)/rA:22CCCNCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;w?10;s11;w?12;s13;d14;s15;d16;s17;s14d18;s17;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297510;CHEMBL3297507;CHEMBL3297509,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.440;  4.290;  4.580,4.437,0.11800000000000001,0.084,3.0,4.44,0.14
-BKRXHJILYBHJGW_on_P14867_WT,Low,ChEMBL30,CHEMBL298730,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCCCC4)nn23)cc1,BKRXHJILYBHJGW,BKRXHJILYBHJGW-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2","""AuxInfo=1/0/N:21,1,20,22,2,27,13,12,19,23,3,26,14,11,17,18,4,9,10,5,8,15,6,7,24,25,16/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BKRXHJILYBHJGW_on_P31644_WT,Low,ChEMBL30,CHEMBL298730,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCCCC4)nn23)cc1,BKRXHJILYBHJGW,BKRXHJILYBHJGW-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2","""AuxInfo=1/0/N:21,1,20,22,2,27,13,12,19,23,3,26,14,11,17,18,4,9,10,5,8,15,6,7,24,25,16/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BKRXHJILYBHJGW_on_P34903_WT,Low,ChEMBL30,CHEMBL298730,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCCCC4)nn23)cc1,BKRXHJILYBHJGW,BKRXHJILYBHJGW-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2","""AuxInfo=1/0/N:21,1,20,22,2,27,13,12,19,23,3,26,14,11,17,18,4,9,10,5,8,15,6,7,24,25,16/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BKRXHJILYBHJGW_on_P47869_WT,Low,ChEMBL30,CHEMBL298730,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCCCC4)nn23)cc1,BKRXHJILYBHJGW,BKRXHJILYBHJGW-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2","""AuxInfo=1/0/N:21,1,20,22,2,27,13,12,19,23,3,26,14,11,17,18,4,9,10,5,8,15,6,7,24,25,16/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BKUIZWILNWHFHD_on_P41594_WT,High,ChEMBL30,CHEMBL190270,N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,BKUIZWILNWHFHD,BKUIZWILNWHFHD-UHFFFAOYSA-N,"InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)","""AuxInfo=1/1/N:17,25,16,18,24,26,5,4,15,19,6,23,27,28,12,2,3,14,7,22,13,11,8,1,10,20,21,9/E:(3,4)(5,6)(9,10)(12,13)/rA:28NCCCCCCCONCCCCCCCCCNNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s11s20;s21;d22;s23;d24;s25;s22d26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292091;CHEMBL829868;CHEMBL2433923;CHEMBL2426830;CHEMBL2426830,PMID:15537338,2004.0,PMID:21067920;PMID:15537338;PMID:24050755;PMID:23947773;PMID:23947773,2010;2004;2013;2013;2013,0,0;1;1;1;1,0,1;0;0;0;0,0,,=,  6.600;  8.000;  7.570;  6.750;  6.750,7.1339999999999995,0.551,0.276,5.0,6.75,0.15
-BKWXCVZIALOBBS_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL218017;10268204,O=C(OCc1ccccc1)N1CCC(CNc2ncccc2)CC1,BKWXCVZIALOBBS,BKWXCVZIALOBBS-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21)","""AuxInfo=1/1/N:8,7,9,21,20,6,10,22,13,23,19,12,24,15,4,14,5,17,2,18,16,11,1,3/E:(2,3)(6,7)(9,10)(12,13)/rA:24OCOCCCCCCCNCCCCNCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  7.430;  7.432,7.431,0.001,0.001,2.0,7.431,0.001
-BKXACALZUUCPDW_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205916;57881822,COc1ccc(-n2cnc3c(sc4c3c(NCC3CC3)ncn4)c2=O)cc1,BKXACALZUUCPDW,BKXACALZUUCPDW-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2S/c1-26-13-6-4-12(5-7-13)24-10-23-15-14-17(20-8-11-2-3-11)21-9-22-18(14)27-16(15)19(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,19,20,5,26,4,27,17,22,8,18,6,3,14,10,11,15,13,24,16,21,23,9,7,25,2,12/E:(2,3)(4,5)(6,7)/rA:27COCCCCNCNCCSCCCNCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s18s19;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  6.810;  6.812,6.811,0.001,0.001,2.0,6.811,0.001
-BKXDOLSXMJDNDB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3932339,Fc1c(Cl)cccc1Nc1c2ncccc2n[nH]1,BKXDOLSXMJDNDB,BKXDOLSXMJDNDB-UHFFFAOYSA-N,"InChI=1S/C12H8ClFN4/c13-7-3-1-4-8(10(7)14)16-12-11-9(17-18-12)5-2-6-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:6,14,5,7,15,13,3,8,16,2,11,10,4,1,12,9,17,18/rA:18FCCClCCCCNCCNCCCCNN/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BKXZRLFPGYWHTM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269126,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)Cc1cccc2ccccc12,BKXZRLFPGYWHTM,BKXZRLFPGYWHTM-UHFFFAOYSA-N,"InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,35,36,7,8,31,3,12,20,24,34,32,30,37,2,6,9,4,11,13,18,28,19,33,29,38,17,26,15,1,5,10,14,25,27,16/E:(2,3)(11,12)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;d29;s30;d31;s32;d33;s34;d35;s36;s29s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-BKXZRLFPGYWHTM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269126,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)Cc1cccc2ccccc12,BKXZRLFPGYWHTM,BKXZRLFPGYWHTM-UHFFFAOYSA-N,"InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,35,36,7,8,31,3,12,20,24,34,32,30,37,2,6,9,4,11,13,18,28,19,33,29,38,17,26,15,1,5,10,14,25,27,16/E:(2,3)(11,12)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;d29;s30;d31;s32;d33;s34;d35;s36;s29s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-BKXZRLFPGYWHTM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1269126,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)Cc1cccc2ccccc12,BKXZRLFPGYWHTM,BKXZRLFPGYWHTM-UHFFFAOYSA-N,"InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,35,36,7,8,31,3,12,20,24,34,32,30,37,2,6,9,4,11,13,18,28,19,33,29,38,17,26,15,1,5,10,14,25,27,16/E:(2,3)(11,12)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;d29;s30;d31;s32;d33;s34;d35;s36;s29s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-BKZWJBXYAXOSIJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76320761;CHEMBL3086717,COC(=O)N1CC(F)(F)C(O)(C#Cc2cccc(C)c2)C2CCCC21,BKZWJBXYAXOSIJ,BKZWJBXYAXOSIJ-UHFFFAOYSA-N,"InChI=1S/C19H21F2NO3/c1-13-5-3-6-14(11-13)9-10-18(24)15-7-4-8-16(15)22(17(23)25-2)12-19(18,20)21/h3,5-6,11,15-16,24H,4,7-8,12H2,1-2H3","""AuxInfo=1/0/N:19,1,16,23,17,15,22,24,13,12,20,6,18,14,21,25,3,10,7,8,9,5,4,11,2/E:(20,21)/rA:25COCONCCFFCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s10;s10;t12;s13;d14;s15;d16;s17;s18;s14d18;s10;s21;s22;s23;s5s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-BKZXZGWHTRCFPX_on_P14867_WT,Low,ChEMBL30,CHEMBL29790,Cc1c(O)c(C(C)(C)C)ccc1,BKZXZGWHTRCFPX,BKZXZGWHTRCFPX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3","""AuxInfo=1/0/N:1,7,8,9,11,12,10,2,5,3,6,4/E:(2,3,4)/rA:12CCCOCCCCCCCC/rB:s1;d2;s3;s3;s5;s6;s6;s6;d5;s10;s2d11;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  6.300;  4.700,5.5,0.8,0.8,2.0,5.5,0.8
-BKZXZGWHTRCFPX_on_P18507_WT,Low,ChEMBL30,CHEMBL29790,Cc1c(O)c(C(C)(C)C)ccc1,BKZXZGWHTRCFPX,BKZXZGWHTRCFPX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3","""AuxInfo=1/0/N:1,7,8,9,11,12,10,2,5,3,6,4/E:(2,3,4)/rA:12CCCOCCCCCCCC/rB:s1;d2;s3;s3;s5;s6;s6;s6;d5;s10;s2d11;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  6.300,5.5,0.8,0.8,2.0,5.5,0.8
-BKZXZGWHTRCFPX_on_P47870_WT,Low,ChEMBL30,CHEMBL29790,Cc1c(O)c(C(C)(C)C)ccc1,BKZXZGWHTRCFPX,BKZXZGWHTRCFPX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3","""AuxInfo=1/0/N:1,7,8,9,11,12,10,2,5,3,6,4/E:(2,3,4)/rA:12CCCOCCCCCCCC/rB:s1;d2;s3;s3;s5;s6;s6;s6;d5;s10;s2d11;/rC:;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  6.300,5.5,0.8,0.8,2.0,5.5,0.8
-BLIMSXQCXUBYGP_on_P41594_WT,High,ChEMBL30,CHEMBL3660209,O=C(Nc1cc(Cl)ccc1)c1cc(Oc2cccnc2)ccn1,BLIMSXQCXUBYGP,BLIMSXQCXUBYGP-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)","""AuxInfo=1/1/N:9,17,8,10,16,21,18,22,5,12,20,6,4,13,15,11,2,7,19,23,3,1,14/rA:23OCNCCCClCCCCCCOCCCCNCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-BLJPKQXXDFIIFR_on_O00591_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_O14764_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P14867_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P18505_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P18507_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P28472_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P31644_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P34903_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P47869_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P47870_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P48169_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_P78334_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_Q16445_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLJPKQXXDFIIFR_on_Q99928_WT,Low,ChEMBL30,CHEMBL419096,COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1,BLJPKQXXDFIIFR,BLJPKQXXDFIIFR-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-11-10-28-8-6-18(7-9-28)21-15-26-22-4-3-19(13-20(21)22)29-16-27-23-12-17(14-25)2-5-24(23)29/h2-5,12-13,15-16,18,26H,6-11H2,1H3","""AuxInfo=1/0/N:1,24,27,28,25,7,29,6,30,4,3,20,14,22,10,17,21,8,15,13,9,12,19,26,23,11,18,5,16,2/E:(6,7)(8,9)/rA:30COCCNCCCCCNCCCCNCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;t22;d21;s24;s16s19d25;s15;s12d27;s8;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-BLMOPJSSNJGYSZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3137990,CC(=O)C1CCC2C3CCC4CC(O)(C(F)(F)F)CCC4(C)C3CCC12C,BLMOPJSSNJGYSZ,BLMOPJSSNJGYSZ-UHFFFAOYSA-N,"InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,2,11,8,4,7,23,21,26,13,15,16,17,18,3,14/E:(23,24,25)/rA:27CCOCCCCCCCCCCOCFFFCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-BLMOPJSSNJGYSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL3137990,CC(=O)C1CCC2C3CCC4CC(O)(C(F)(F)F)CCC4(C)C3CCC12C,BLMOPJSSNJGYSZ,BLMOPJSSNJGYSZ-UHFFFAOYSA-N,"InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,2,11,8,4,7,23,21,26,13,15,16,17,18,3,14/E:(23,24,25)/rA:27CCOCCCCCCCCCCOCFFFCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-BLMOPJSSNJGYSZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3137990,CC(=O)C1CCC2C3CCC4CC(O)(C(F)(F)F)CCC4(C)C3CCC12C,BLMOPJSSNJGYSZ,BLMOPJSSNJGYSZ-UHFFFAOYSA-N,"InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,2,11,8,4,7,23,21,26,13,15,16,17,18,3,14/E:(23,24,25)/rA:27CCOCCCCCCCCCCOCFFFCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-BLMRWXDWBHLUHY_on_Q14416_WT,Low,ChEMBL30,CHEMBL1098390,CCc1ccccc1OCC1CN(c2ccccc2)C(=O)O1,BLMRWXDWBHLUHY,BLMRWXDWBHLUHY-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-2-14-8-6-7-11-17(14)21-13-16-12-19(18(20)22-16)15-9-4-3-5-10-15/h3-11,16H,2,12-13H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,5,6,4,15,19,7,12,10,3,14,11,8,20,13,21,9,22/E:(4,5)(9,10)/rA:22CCCCCCCCOCCCNCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-BLUSREMVCGEPFC_on_Q14416_WT,Low,ChEMBL30,CHEMBL1097396,Nc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,BLUSREMVCGEPFC,BLUSREMVCGEPFC-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c17-12-5-4-8-14(9-12)20-11-15-10-18(16(19)21-15)13-6-2-1-3-7-13/h1-9,15H,10-11,17H2","""AuxInfo=1/0/N:13,12,14,20,21,11,15,19,3,8,6,2,10,4,7,16,1,9,17,5,18/E:(2,3)(6,7)/rA:21NCCCOCCCNCCCCCCCOOCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;d16;s7s16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-BMDAYGAAXYBZNV_on_P31644_WT,High,ChEMBL30,CHEMBL3676466,Cc1c(COc2ccc(C(=O)NCC(C)O)cn2)c(-c2ccccc2)no1,BMDAYGAAXYBZNV,BMDAYGAAXYBZNV-UHFFFAOYSA-N,"InChI=1S/C20H21N3O4/c1-13(24)10-22-20(25)16-8-9-18(21-11-16)26-12-17-14(2)27-23-19(17)15-6-4-3-5-7-15/h3-9,11,13,24H,10,12H2,1-2H3,(H,22,25)","""AuxInfo=1/1/N:15,1,23,22,24,21,25,8,7,13,17,4,14,2,20,9,3,6,19,10,18,12,26,16,11,5,27/E:(4,5)(6,7)/rA:27CCCCOCCCCCONCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-BMDCRECBWCYQSU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112579,CCC(N)(C(=O)O)C1CC1C(=O)O,BMDCRECBWCYQSU,BMDCRECBWCYQSU-UHFFFAOYSA-N,"InChI=1S/C8H13NO4/c1-2-8(9,7(12)13)5-3-4(5)6(10)11/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,9,10,8,11,5,3,4,12,13,6,7/E:(10,11)(12,13)/rA:13CCCNCOOCCCCOO/rB:s1;s2;s3;s3;d5;s5;s3;s8;s8s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-BMDCRECBWCYQSU_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112579,CCC(N)(C(=O)O)C1CC1C(=O)O,BMDCRECBWCYQSU,BMDCRECBWCYQSU-UHFFFAOYSA-N,"InChI=1S/C8H13NO4/c1-2-8(9,7(12)13)5-3-4(5)6(10)11/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,9,10,8,11,5,3,4,12,13,6,7/E:(10,11)(12,13)/rA:13CCCNCOOCCCCOO/rB:s1;s2;s3;s3;d5;s5;s3;s8;s8s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-BMDPGHXZAPGTPR_on_P41594_WT,High,ChEMBL30,CHEMBL3634192,CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12,BMDPGHXZAPGTPR,BMDPGHXZAPGTPR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c1-11(20)18-8-5-9-19-15(18)14(16)13(17-19)10-21-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,11,2,13,10,19,21,20,9,4,8,3,12/E:(3,4)(6,7)/rA:21CCONCCCNNCCOCCCCCCCFC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s19;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.490,5.49,0.0,0.0,1.0,5.49,0.0
-BMEFLILWXUTLQN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3890746,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(C)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,BMEFLILWXUTLQN,BMEFLILWXUTLQN-UHFFFAOYSA-N,"InChI=1S/C26H25F3N4O3/c1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-16-5-7-18-19(11-21(24(30)34)32-20(18)10-16)17-6-8-22(36-3)15(2)9-17/h5-11,13-14,35H,4,12H2,1-3H3,(H2,30,34)","""AuxInfo=1/1/N:1,21,19,2,10,15,11,16,22,30,23,8,6,31,20,9,14,12,13,29,24,17,5,25,3,33,34,35,36,26,32,28,7,27,4,18/E:(27,28,29)/rA:36CCCOCCNCCCCCCCCCCOCCCCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s20;s14d20;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s7;s5d31;s3;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-BMFSKNNNHYWJQB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107975,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)ccn1,BMFSKNNNHYWJQB,BMFSKNNNHYWJQB-UHFFFAOYSA-N,"InChI=1S/C22H18F4N4O2/c1-13-8-14(4-6-28-13)20-18-5-7-31-17(10-23)12-30(18)21(29-20)15-2-3-19(16(9-15)11-27)32-22(24,25)26/h2-4,6,8-9,17H,5,7,10,12H2,1H3","""AuxInfo=1/0/N:1,17,18,30,7,31,8,3,28,11,26,13,2,4,16,25,10,6,19,5,15,21,12,22,23,24,27,32,29,14,9,20/E:(24,25,26)/rA:32CCCCCCCCOCCFCNCCCCCOCFFFCCNCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;t26;s16d25;s5d15;d4;s30;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-BMIKDIWICOAHJN_on_O00591_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_O14764_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P14867_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P18505_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P18507_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P28472_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P31644_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P34903_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P47869_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P47870_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P48169_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_P78334_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_Q16445_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMIKDIWICOAHJN_on_Q99928_WT,Low,ChEMBL30,CHEMBL422158,O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,BMIKDIWICOAHJN,BMIKDIWICOAHJN-UHFFFAOYSA-N,"InChI=1S/C16H10ClN5O3/c17-11-1-2-13-14(7-11)21-15(20-22(13)24)12(8-19-21)16(23)25-9-10-3-5-18-6-4-10/h1-8H,9H2","""AuxInfo=1/0/N:21,22,6,10,7,9,18,25,4,5,19,11,16,17,12,2,20,8,24,13,23,14,1,15,3/E:(3,4)(5,6)/CRV:22.5/rA:25OCOCCCCNCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;d16;s17;d18;s19;s19;s16d21;s12s17;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-BMKTZIFXRIUBIQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3951588,Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)cc(C)n1,BMKTZIFXRIUBIQ,BMKTZIFXRIUBIQ-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c1-12-9-15(10-13(2)26-12)19-18-5-7-29-8-6-28(18)20(27-19)14-3-4-16(17(22)11-14)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,17,22,6,5,13,18,23,19,20,21,29,25,12,9/E:(1,2)(9,10)(12,13)(23,24,25)/rA:29CCCCCCCCOCCNCCCCCCFFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-BMMAFCODBPQTPZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL423244,CCOc1c(CN=C(N)C=Cc2ccccc2)cccc1,BMMAFCODBPQTPZ,BMMAFCODBPQTPZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O/c1-2-21-17-11-7-6-10-16(17)14-20-18(19)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,19,20)","""AuxInfo=1/1/N:1,2,15,14,16,19,20,13,17,18,21,11,10,6,12,5,4,8,9,7,3/E:(4,5)(8,9)/rA:21CCOCCCNCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s8;w?10;s11;d12;s13;d14;s15;s12d16;s5;d18;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-BMMAFCODBPQTPZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL423244,CCOc1c(CN=C(N)C=Cc2ccccc2)cccc1,BMMAFCODBPQTPZ,BMMAFCODBPQTPZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O/c1-2-21-17-11-7-6-10-16(17)14-20-18(19)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,19,20)","""AuxInfo=1/1/N:1,2,15,14,16,19,20,13,17,18,21,11,10,6,12,5,4,8,9,7,3/E:(4,5)(8,9)/rA:21CCOCCCNCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s8;w?10;s11;d12;s13;d14;s15;s12d16;s5;d18;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-BMRIPGPHKZAYRU_on_O00222_WT,High,ChEMBL30,CHEMBL4168668,COc1cc(F)c(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1,BMRIPGPHKZAYRU,BMRIPGPHKZAYRU-UHFFFAOYSA-N,"InChI=1S/C16H12F5N3O/c1-7-4-12(16(19,20)21)24-15(22-7)13(8(2)23-24)14-10(17)5-9(25-3)6-11(14)18/h4-6H,1-3H3","""AuxInfo=1/0/N:12,22,1,13,4,25,11,21,3,5,23,14,8,7,9,15,6,24,16,17,18,10,20,19,2/E:(5,6)(10,11)(17,18)(19,20,21)/rA:25COCCCFCCCNCCCCCFFFNNCCCFC/rB:s1;s2;d3;s4;s5;d5;s7;d8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s9s14;s19;s8d20;s21;s7;s23;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4369696,PMID:30881607,2019.0,PMID:30881607,2019,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-BMRIPGPHKZAYRU_on_Q14831_WT,High,ChEMBL30,CHEMBL4168668,COc1cc(F)c(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1,BMRIPGPHKZAYRU,BMRIPGPHKZAYRU-UHFFFAOYSA-N,"InChI=1S/C16H12F5N3O/c1-7-4-12(16(19,20)21)24-15(22-7)13(8(2)23-24)14-10(17)5-9(25-3)6-11(14)18/h4-6H,1-3H3","""AuxInfo=1/0/N:12,22,1,13,4,25,11,21,3,5,23,14,8,7,9,15,6,24,16,17,18,10,20,19,2/E:(5,6)(10,11)(17,18)(19,20,21)/rA:25COCCCFCCCNCCCCCFFFNNCCCFC/rB:s1;s2;d3;s4;s5;d5;s7;d8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s9s14;s19;s8d20;s21;s7;s23;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4369689,PMID:30881607,2019.0,PMID:30881607,2019,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-BMRLAGDMIUKPFU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3785813,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c3cccc4)cc2)occ1,BMRLAGDMIUKPFU,BMRLAGDMIUKPFU-UHFFFAOYSA-N,"InChI=1S/C20H15ClN2O3/c1-12-8-9-26-19(12)20(25)22-14-6-7-17(15(21)11-14)23-16-5-3-2-4-13(16)10-18(23)24/h2-9,11H,10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,19,21,18,23,22,26,25,15,8,2,16,7,9,17,11,13,3,4,10,6,12,14,5,24/rA:26CCCCONCCCClCNCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;s12d16;s17;d18;s19;s16d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-BMWOBKCWJKMUAZ_on_O15399_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_O60391_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMWOBKCWJKMUAZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL285853,N=C(N)NN=Cc1ccc2ccccc2c1,BMWOBKCWJKMUAZ,BMWOBKCWJKMUAZ-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:12,13,11,14,8,9,16,6,7,10,15,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-BMXVPWUWCSXCOL_on_Q14833_WT,High,ChEMBL30,CHEMBL3808806,O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccn1,BMXVPWUWCSXCOL,BMXVPWUWCSXCOL-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-10-8-13(11-20)19-16(21)15-3-1-2-9-18-15/h1-11H,(H,19,21)","""AuxInfo=1/1/N:21,22,20,12,15,11,16,18,23,17,5,13,4,10,19,2,14,24,3,6,1,8,9,7/E:(4,5)(6,7)(22,23)/CRV:24.6/rA:24OCNCCNSOOCCCCClCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s6;s4d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-BNDIBKWJLYSUCC_on_Q05586_WT,Medium,ChEMBL30,CHEMBL113750,C(#Cc1cc2c(cc1)[nH]cc2)CN1CCC(Cc2ccccc2)CC1,BNDIBKWJLYSUCC,BNDIBKWJLYSUCC-UHFFFAOYSA-N,"InChI=1S/C23H24N2/c1-2-5-19(6-3-1)17-21-11-15-25(16-12-21)14-4-7-20-8-9-23-22(18-20)10-13-24-23/h1-3,5-6,8-10,13,18,21,24H,11-12,14-17H2","""AuxInfo=1/0/N:21,20,22,1,19,23,2,8,7,11,15,24,10,12,14,25,17,4,18,3,16,5,6,9,13/E:(2,3)(5,6)(11,12)(15,16)/rA:25CCCCCCCCNCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s5d10;s1;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-BNGHHQQJYFBBEC_on_P41594_WT,High,ChEMBL30,CHEMBL3672913,Cn1c2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)c2c1cccc2,BNGHHQQJYFBBEC,BNGHHQQJYFBBEC-UHFFFAOYSA-N,"InChI=1S/C20H18BrN5O/c1-24-17-5-3-2-4-14(17)15-6-8-25(9-7-18(15)24)20(27)16-10-19-22-11-13(21)12-26(19)23-16/h2-5,10-12H,6-9H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,5,21,6,20,19,16,13,14,22,4,10,23,3,18,8,15,17,11,2,7,12,9/rA:27CNCCCCNCOCNNCCBrCNCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;s14;d16;s12s17;s10d18;s7;s3s20;s4;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-BNJUYVSEWGRELC_on_Q14416_WT,High,ChEMBL30,CHEMBL3926416,Fc1cc(F)c(N2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,BNJUYVSEWGRELC,BNJUYVSEWGRELC-UHFFFAOYSA-N,"InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2","""AuxInfo=1/0/N:24,25,32,31,28,27,9,29,8,30,22,3,11,23,12,2,4,6,21,13,18,14,1,5,15,16,17,20,19,10,7,26/E:(1,2)(7,8)(9,10)(25,26,27)/rA:32FCCCFCNCCNCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;d12;s13;s14;s14;s14;s13;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s12d27;s10;s7s29;s6;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844;CHEMBL3858856;CHEMBL3858854;CHEMBL3858851;CHEMBL3858853;CHEMBL3858855;CHEMBL3858878,PMID:27579727,2016.0,PMID:27579727,2016,0,1;1;1;1;1;1;0,0,0;0;0;0;0;0;1,0,,=,  7.110;  5.630;  6.010;  7.340;  5.180;  5.850;  6.820,6.277,0.755,0.308,7.0,6.01,0.81
-BNKDOSFMNNDRCV_on_Q14833_WT,High,ChEMBL30,CHEMBL4064041,COCCOc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1,BNKDOSFMNNDRCV,BNKDOSFMNNDRCV-UHFFFAOYSA-N,"InChI=1S/C21H18N2O4/c1-25-8-9-26-16-6-7-20-17(11-16)18(23-24)12-21(27-20)19-10-14-4-2-3-5-15(14)13-22-19/h2-7,10-13,24H,8-9H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,7,8,3,4,21,27,22,14,20,15,6,26,23,12,9,11,13,24,25,2,5,10/rA:27COCCOCCCCOCCNCCCCCCCCCCNOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;d16;s17;d18;s15s19;s12d20;d11;s22;w?23;s24;s9s23;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-BNMGAKYFGHEJFA_on_O15399_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.360;  6.770,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_O60391_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.770;  6.360,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.770;  6.360,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_Q05586_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.360;  6.770,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_Q12879_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.360;  6.770,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_Q13224_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.770;  6.360,6.565,0.205,0.205,2.0,6.565,0.205
-BNMGAKYFGHEJFA_on_Q14957_WT,Low,ChEMBL30,CHEMBL133401,CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1,BNMGAKYFGHEJFA,BNMGAKYFGHEJFA-UHFFFAOYSA-N,"InChI=1S/C18H22N2S/c1-20-9-8-18-7-3-2-4-15(18)17(20)10-13-5-6-14(19-12-21)11-16(13)18/h5-6,11,15,17H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,21,20,6,4,3,12,15,18,13,16,10,14,11,5,17,2,19/rA:21CNCCCCCCCCCCCCCCNCSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;d17;d18;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.360;  6.770,6.565,0.205,0.205,2.0,6.565,0.205
-BNPBZINPHDCVFQ_on_P14867_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-BNPBZINPHDCVFQ_on_P18507_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL678745;CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.390;  7.100;  7.390;  7.420,7.325,0.13,0.075,4.0,7.39,0.015
-BNPBZINPHDCVFQ_on_P28472_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826;CHEMBL678741;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.100;  7.420;  7.390;  7.390,7.325,0.13,0.075,4.0,7.39,0.015
-BNPBZINPHDCVFQ_on_P31644_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-BNPBZINPHDCVFQ_on_P34903_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-BNPBZINPHDCVFQ_on_P47869_WT,Low,ChEMBL30,CHEMBL273456,COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2,BNPBZINPHDCVFQ,BNPBZINPHDCVFQ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3/c1-28-14-12-26(13-15-29-2)22-19-7-5-4-6-18(19)21-24-23-20(27(21)25-22)16-8-10-17(30-3)11-9-16/h4-11H,12-15H2,1-3H3","""AuxInfo=1/0/N:1,9,19,29,28,30,27,15,21,16,20,4,6,3,7,14,17,25,26,13,24,10,22,23,11,5,12,2,8,18/E:(1,2)(8,9)(10,11)(12,13)(14,15)(28,29)/rA:30COCCNCCOCCNNCCCCCOCCCNNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s12d23;s24;s10d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-BNPTVHTYSPQYAZ_on_Q13255_WT,High,ChEMBL30,CHEMBL2418357,CC1(C)C2CN(C(=O)N3CC4CN(c5ccccn5)CC4C3)CC21,BNPTVHTYSPQYAZ,BNPTVHTYSPQYAZ-UHFFFAOYSA-N,"InChI=1S/C19H26N4O/c1-19(2)15-11-23(12-16(15)19)18(24)22-9-13-7-21(8-14(13)10-22)17-5-3-4-6-20-17/h3-6,13-16H,7-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,12,20,10,22,5,23,11,21,4,24,14,7,2,19,13,9,6,8/E:(1,2)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:24CCCCCNCONCCCNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;s11s20;s9s21;s6;s2s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  4.920;  4.930,4.925,0.005,0.005,2.0,4.925,0.005
-BNPWTHRGFIXFRC_on_P41594_WT,High,ChEMBL30,CHEMBL2069389,CC(C)CN1CC(c2nc(-c3cc(Cl)ccc3)no2)CC1=O,BNPWTHRGFIXFRC,BNPWTHRGFIXFRC-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O2/c1-10(2)8-20-9-12(7-14(20)21)16-18-15(19-22-16)11-4-3-5-13(17)6-11/h3-6,10,12H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,12,20,4,6,2,11,7,13,21,10,8,14,9,18,5,22,19/E:(1,2)/rA:22CCCCNCCCNCCCCClCCCNOCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s11d16;d10;s8s18;s7;s5s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-BNPYZSLINHTRBZ_on_P41594_WT,High,ChEMBL30,CHEMBL1682830,CCN1CCOc2c1ncc(COc1ccccc1)c2,BNPYZSLINHTRBZ,BNPYZSLINHTRBZ-UHFFFAOYSA-N,"InChI=1S/C16H18N2O2/c1-2-18-8-9-19-15-10-13(11-17-16(15)18)12-20-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,4,5,20,10,12,11,14,7,8,9,3,6,13/E:(4,5)(6,7)/rA:20CCNCCOCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.220;  7.220,7.22,0.0,0.0,2.0,7.22,0.0
-BNQJKHFCSDKTCD_on_P14867_WT,Low,ChEMBL30,CHEMBL204319,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,BNQJKHFCSDKTCD,BNQJKHFCSDKTCD-UHFFFAOYSA-N,"InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,21,19,24,6,2,12,8,18,13,7,4,20,5,23,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BNQJKHFCSDKTCD_on_P18507_WT,Low,ChEMBL30,CHEMBL204319,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,BNQJKHFCSDKTCD,BNQJKHFCSDKTCD-UHFFFAOYSA-N,"InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,21,19,24,6,2,12,8,18,13,7,4,20,5,23,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.920;  8.820,8.87,0.05,0.05,2.0,8.87,0.05
-BNQJKHFCSDKTCD_on_P28472_WT,Low,ChEMBL30,CHEMBL204319,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,BNQJKHFCSDKTCD,BNQJKHFCSDKTCD-UHFFFAOYSA-N,"InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,21,19,24,6,2,12,8,18,13,7,4,20,5,23,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.920;  8.820,8.87,0.05,0.05,2.0,8.87,0.05
-BNQJKHFCSDKTCD_on_P47869_WT,Low,ChEMBL30,CHEMBL204319,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,BNQJKHFCSDKTCD,BNQJKHFCSDKTCD-UHFFFAOYSA-N,"InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,21,19,24,6,2,12,8,18,13,7,4,20,5,23,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-BNTBDLUANMYFHE_on_P41594_WT,High,ChEMBL30,CHEMBL2403660,O=C1NCCc2c1sc(C#Cc1cccc(F)c1)n2,BNTBDLUANMYFHE,BNTBDLUANMYFHE-UHFFFAOYSA-N,"InChI=1S/C14H9FN2OS/c15-10-3-1-2-9(8-10)4-5-12-17-11-6-7-16-14(18)13(11)19-12/h1-3,8H,6-7H2,(H,16,18)","""AuxInfo=1/1/N:14,13,15,11,10,5,4,18,12,16,6,9,7,2,17,3,19,1,8/rA:19OCNCCCCSCCCCCCCCFCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-BNVHQFIRDRSKFK_on_O15399_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_O60391_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNVHQFIRDRSKFK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1191320,O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,BNVHQFIRDRSKFK,BNVHQFIRDRSKFK-UHFFFAOYSA-N,"InChI=1S/C21H26FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-BNWULAPQCJYZBN_on_P31644_WT,High,ChEMBL30,CHEMBL3676442,CCNC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,BNWULAPQCJYZBN,BNWULAPQCJYZBN-UHFFFAOYSA-N,"InChI=1S/C17H21FN4O3/c1-2-19-17(23)11-3-6-15(21-7-11)24-9-12-10-25-22-16(12)14-5-4-13(18)8-20-14/h3,6-7,10,13-14,20H,2,4-5,8-9H2,1H3,(H,19,23)","""AuxInfo=1/1/N:1,2,7,19,18,8,25,22,11,13,6,12,20,17,9,16,4,21,3,23,24,15,5,10,14/rA:25CCNCOCCCCOCCCONCCCCCFCNNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;s12d15;s16;s17;s18;s19;s20;s20;s17s22;s9;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BNZGLJHONLPBSQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110209,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C,BNZGLJHONLPBSQ,BNZGLJHONLPBSQ-UHFFFAOYSA-N,"InChI=1S/C23H26FN3O2/c1-14-5-6-17(11-21(14)28-4)23-26-22(18-9-15(2)25-16(3)10-18)20-7-8-29-19(12-24)13-27(20)23/h5-6,9-11,19H,7-8,12-13H2,1-4H3","""AuxInfo=1/0/N:29,12,15,1,27,26,18,19,10,16,4,22,24,28,11,14,5,9,21,17,3,8,6,23,13,7,25,2,20/E:(2,3)(9,10)(15,16)/rA:29COCCCCNCCCCCNCCCCCCOCCFCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-BOBGBFGRCGCNSE_on_Q14833_WT,High,ChEMBL30,CHEMBL4241489,Cn1nc(C2CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2,BOBGBFGRCGCNSE,BOBGBFGRCGCNSE-UHFFFAOYSA-N,"InChI=1S/C17H16N6/c1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-13-3-2-8-18-16(13)20-21-17/h2-3,6-10H,4-5H2,1H3,(H2,18,19,20,21)","""AuxInfo=1/1/N:1,16,15,6,7,22,23,17,10,5,11,8,14,9,4,19,13,18,12,20,21,3,2/E:(4,5)/rA:23CNNCCCCCCCCNCCCCCNCNNCC/rB:s1;s2;d3;s4;s5;s5s6;s4;s2d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s11;s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-BOCBDQIZNZCOPX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL377195;603306,Cc1nc(NC(=O)c2cc(Br)ccc2)ccc1,BOCBDQIZNZCOPX,BOCBDQIZNZCOPX-UHFFFAOYSA-N,"InChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)","""AuxInfo=1/1/N:1,16,13,17,14,12,15,9,2,8,10,4,6,11,3,5,7/rA:17CCNCNCOCCCBrCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368;PubChemAID:267556,PMID:16678408,2006.0,PMID:16678408;PubChemAID:267556,2006;2010,1;0,0,0,0,0;1,,=,  5.260;  5.261,5.261,0.0,0.0,2.0,5.261,0.001
-BODXKWPKEKMDKV_on_P41594_WT,High,ChEMBL30,CHEMBL3605284,O=C(c1cccc(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,BODXKWPKEKMDKV,BODXKWPKEKMDKV-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O3/c21-14-4-1-3-13(9-14)20(25)24-8-7-17-18(11-24)27-19(23-17)12-26-16-6-2-5-15(22)10-16/h1-6,9-10H,7-8,11-12H2","""AuxInfo=1/0/N:5,25,4,6,24,26,12,11,9,21,15,18,3,7,22,20,13,14,17,2,8,23,27,10,1,19,16/rA:27OCCCCCCFCNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;s22;d22;s24;s20d25;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.850;  6.860,6.855,0.005,0.005,2.0,6.855,0.005
-BOHNVYNMBZWQNB_on_O15399_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-BOHNVYNMBZWQNB_on_O60391_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-BOHNVYNMBZWQNB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-BOHNVYNMBZWQNB_on_Q05586_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100;  8.740;  9.700,9.18,0.396,0.28,3.0,9.1,0.36
-BOHNVYNMBZWQNB_on_Q12879_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100;  9.700,9.4,0.3,0.3,2.0,9.4,0.3
-BOHNVYNMBZWQNB_on_Q13224_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100;  8.740,8.92,0.18,0.18,2.0,8.92,0.18
-BOHNVYNMBZWQNB_on_Q14957_WT,Low,ChEMBL30,CHEMBL12513,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1,BOHNVYNMBZWQNB,BOHNVYNMBZWQNB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:18,23,19,22,24,15,5,17,16,6,20,14,7,11,9,21,13,8,12,10,1,3,4,2/E:(1,2)(3,4)(21,22,23)/rA:24OPOOCCCNCOCONCCCCCCCClCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-BOIQVJFQCXUXEE_on_Q14416_WT,Low,ChEMBL30,CHEMBL484338,O=C1OCCCN1Cc1ccc(OCc2cccnc2)cc1,BOIQVJFQCXUXEE,BOIQVJFQCXUXEE-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c20-17-19(9-2-10-21-17)12-14-4-6-16(7-5-14)22-13-15-3-1-8-18-11-15/h1,3-8,11H,2,9-10,12-13H2","""AuxInfo=1/0/N:17,5,16,10,22,11,21,18,6,4,20,8,14,9,15,12,2,19,7,1,3,13/E:(4,5)(6,7)/rA:22OCOCCCNCCCCCOCCCCCNCCC/rB:d1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BONFFLGZNBCWQG_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647553,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1,BONFFLGZNBCWQG,BONFFLGZNBCWQG-UHFFFAOYSA-N,"InChI=1S/C25H25FN4O3S/c1-3-34(31,32)18-9-10-19(23(13-18)33-2)20-12-16(8-11-22(20)26)21-14-28-29-25-24(21)27-15-30(25)17-6-4-5-7-17/h8-15,17H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,33,2,24,25,23,26,27,7,8,28,11,34,14,20,12,22,6,9,10,13,29,31,18,17,30,19,15,16,21,4,5,32,3/E:(4,5)(6,7)(31,32)/CRV:34.6/rA:34CCSOOCCCCCCCCCNNCCNCNCCCCCCCCFCOCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s23;s24;s22s25;d12;s27;s10d28;s29;s9;s31;s32;s6d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-BOOGOEIOWBMSQU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950113,FC(F)(F)c1cc(Nc2c3ncccc3n[nH]2)cc(C(F)(F)F)c1,BOOGOEIOWBMSQU,BOOGOEIOWBMSQU-UHFFFAOYSA-N,"InChI=1S/C14H8F6N4/c15-13(16,17)7-4-8(14(18,19)20)6-9(5-7)22-12-11-10(23-24-12)2-1-3-21-11/h1-6H,(H2,22,23,24)","""AuxInfo=1/1/N:13,14,12,24,6,18,5,19,7,15,10,9,2,20,1,3,4,21,22,23,11,8,16,17/E:(5,6)(7,8)(13,14)(15,16,17,18,19,20)/rA:24FCFFCCCNCCNCCCCNNCCCFFFC/rB:s1;s2;s2;s2;d5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;d7;s18;s19;s20;s20;s20;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BOPKRTFJHOPUEA_on_Q12879_WT,Low,ChEMBL30,CHEMBL422139,Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,BOPKRTFJHOPUEA,BOPKRTFJHOPUEA-UHFFFAOYSA-N,"InChI=1S/C17H23N3S2/c1-14-18-19-17(22-14)21-12-11-20-9-7-16(8-10-20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,3,4,9,6,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BOPKRTFJHOPUEA_on_Q13224_WT,Medium,ChEMBL30,CHEMBL422139,Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,BOPKRTFJHOPUEA,BOPKRTFJHOPUEA-UHFFFAOYSA-N,"InChI=1S/C17H23N3S2/c1-14-18-19-17(22-14)21-12-11-20-9-7-16(8-10-20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,3,4,9,6,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-BOPKRTFJHOPUEA_on_Q14957_WT,Low,ChEMBL30,CHEMBL422139,Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,BOPKRTFJHOPUEA,BOPKRTFJHOPUEA-UHFFFAOYSA-N,"InChI=1S/C17H23N3S2/c1-14-18-19-17(22-14)21-12-11-20-9-7-16(8-10-20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,11,20,10,21,8,7,13,2,14,12,5,3,4,9,6,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BOVJHNHRQNCDEQ_on_P41594_WT,High,ChEMBL30,CHEMBL1682799,O=C1NCCc2c1ccc(C#Cc1ccccc1)c2,BOVJHNHRQNCDEQ,BOVJHNHRQNCDEQ-UHFFFAOYSA-N,"InChI=1S/C17H13NO/c19-17-16-9-8-14(12-15(16)10-11-18-17)7-6-13-4-2-1-3-5-13/h1-5,8-9,12H,10-11H2,(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,12,11,9,8,5,4,19,13,10,6,7,2,3,1/E:(2,3)(4,5)/rA:19OCNCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.350;  7.350,7.35,0.0,0.0,2.0,7.35,0.0
-BOVUHBFXPNLTKF_on_Q13224_WT,High,ChEMBL30,CHEMBL3545350,Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1,BOVUHBFXPNLTKF,BOVUHBFXPNLTKF-UHFFFAOYSA-N,"InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3","""AuxInfo=1/0/N:1,12,13,4,5,9,20,21,7,2,11,10,8,16,14,17,15,18,19,3,22,23,6/E:(18,19)/rA:23CCNCCNCCCCCCCCFCCFFCCNN/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s16;s17;s17;s11d16;d10;s21;s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-BOVVCNDNINYMTL_on_P14867_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034;CHEMBL615287,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  6.550;  6.550,6.55,0.0,0.0,2.0,6.55,0.0
-BOVVCNDNINYMTL_on_P18507_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680435;CHEMBL615287;CHEMBL682712;CHEMBL677034;CHEMBL680432;CHEMBL682082;CHEMBL682709;CHEMBL680669,PMID:15214791,2004.0,PMID:15084116;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15214791;PMID:15214791,2004,0,0,0,1,0,,=,  7.390;  6.550;  7.070;  6.550;  7.390;  8.340;  7.070;  8.340,7.337000000000001,0.652,0.24600000000000002,8.0,7.23,0.42
-BOVVCNDNINYMTL_on_P28472_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682712;CHEMBL680669;CHEMBL615287;CHEMBL682082;CHEMBL680432;CHEMBL682709;CHEMBL677034;CHEMBL680435,PMID:15214791,2004.0,PMID:15084116;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  7.070;  8.340;  6.550;  8.340;  7.390;  7.070;  6.550;  7.390,7.337999999999999,0.652,0.24600000000000002,8.0,7.23,0.42
-BOVVCNDNINYMTL_on_P31644_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL682082,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  8.340;  8.340,8.34,0.0,0.0,2.0,8.34,0.0
-BOVVCNDNINYMTL_on_P34903_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL680435,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  7.390;  7.390,7.39,0.0,0.0,2.0,7.39,0.0
-BOVVCNDNINYMTL_on_P47869_WT,Low,ChEMBL30,CHEMBL303718,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1,BOVVCNDNINYMTL,BOVVCNDNINYMTL-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,18,7,2,16,27,24,6,13,22,23,12,21,9,30,19,20,10,14,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNOCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709;CHEMBL682712,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  7.070;  7.070,7.07,0.0,0.0,2.0,7.07,0.0
-BOWAOHKNFHQVOT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913761,Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)c1,BOWAOHKNFHQVOT,BOWAOHKNFHQVOT-UHFFFAOYSA-N,"InChI=1S/C14H12N4O3S2/c1-10-3-2-4-12(7-10)23(20,21)18-9-11(8-16-18)17-13(19)14-15-5-6-22-14/h2-9H,1H3,(H,17,19)","""AuxInfo=1/1/N:1,4,3,5,18,19,23,21,11,2,12,6,14,16,17,22,13,10,15,8,9,20,7/E:(20,21)/CRV:23.6/rA:23CCCCCCSOONCCNCOCNCCSCNC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s10d21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-BOWYULWXOYQNDI_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159560,COc1c(CN=C(N)c2ccc(OC(F)(F)F)cc2)cccc1,BOWYULWXOYQNDI,BOWYULWXOYQNDI-UHFFFAOYSA-N,"InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,21,22,20,23,10,19,11,18,5,9,4,12,3,7,14,15,16,17,8,6,2,13/E:(6,7)(8,9)(17,18,19)/rA:23COCCCNCNCCCCOCFFFCCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;s13;s14;s14;s14;s12;s9d18;s4;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  8.390;  8.240,8.315,0.075,0.075,2.0,8.315,0.075
-BPGDOEYDECIKSW_on_P31644_WT,High,ChEMBL30,CHEMBL3681467,Cc1c(CNc2ccc(C(=O)NCCO)cn2)c(-c2ccccc2)no1,BPGDOEYDECIKSW,BPGDOEYDECIKSW-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-13-16(18(23-26-13)14-5-3-2-4-6-14)12-22-17-8-7-15(11-21-17)19(25)20-9-10-24/h2-8,11,24H,9-10,12H2,1H3,(H,20,25)(H,21,22)","""AuxInfo=1/1/N:1,22,21,23,20,24,8,7,13,14,16,4,2,19,9,3,6,18,10,12,17,5,25,15,11,26/E:(3,4)(5,6)/rA:26CCCCNCCCCCONCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-BPHJTEHNELHYLJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453494;CHEMBL271477,Cc1cn2cccc2c(C#Cc2ccccc2)n1,BPHJTEHNELHYLJ,BPHJTEHNELHYLJ-UHFFFAOYSA-N,"InChI=1S/C16H12N2/c1-13-12-18-11-5-8-16(18)15(17-13)10-9-14-6-3-2-4-7-14/h2-8,11-12H,1H3","""AuxInfo=1/0/N:1,15,14,16,6,13,17,7,11,10,5,3,2,12,9,8,18,4/E:(3,4)(6,7)/rA:18CCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s2d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  8.600;  8.600,8.6,0.0,0.0,2.0,8.6,0.0
-BPICUEHAJGKYLS_on_P41594_WT,High,ChEMBL30,CHEMBL1808900,Cc1c(C2CC(F)CN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1,BPICUEHAJGKYLS,BPICUEHAJGKYLS-UHFFFAOYSA-N,"InChI=1S/C21H22ClFN2O/c1-13-8-19(15-6-3-7-16(22)9-15)24-11-18(13)20-10-17(23)12-25(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20H,2,4-5,10,12H2,1H3","""AuxInfo=1/0/N:1,14,24,13,15,25,23,26,20,5,16,8,2,12,19,21,6,3,18,4,10,22,7,17,9,11/E:(4,5)/rA:26CCCCCCFCNCOCCCCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s6;s4s8;s9;d10;s10;s12;s13;s12s14;s3;d16;s17;s18;d19;s20;s21;d21;s23;s19d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  6.850;  6.890,6.87,0.02,0.02,2.0,6.87,0.02
-BPNNIRXHCUJSHD_on_O00222_WT,High,ChEMBL30,CHEMBL4077371,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)o1)C(=O)O,BPNNIRXHCUJSHD,BPNNIRXHCUJSHD-UHFFFAOYSA-N,"InChI=1S/C10H13F3NO6P/c11-10(12,13)7-2-1-6(20-7)9(17)21(18,19)4-3-5(14)8(15)16/h1-2,5,9,17H,3-4,14H2,(H,15,16)(H,18,19)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,19,8,14,15,16,17,1,20,21,9,6,7,18,5/E:(11,12,13)(15,16)(18,19)/rA:21NCCCPOOCOCCCCCFFFOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s10s13;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-BPNNIRXHCUJSHD_on_Q14833_WT,High,ChEMBL30,CHEMBL4077371,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)o1)C(=O)O,BPNNIRXHCUJSHD,BPNNIRXHCUJSHD-UHFFFAOYSA-N,"InChI=1S/C10H13F3NO6P/c11-10(12,13)7-2-1-6(20-7)9(17)21(18,19)4-3-5(14)8(15)16/h1-2,5,9,17H,3-4,14H2,(H,15,16)(H,18,19)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,19,8,14,15,16,17,1,20,21,9,6,7,18,5/E:(11,12,13)(15,16)(18,19)/rA:21NCCCPOOCOCCCCCFFFOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s10s13;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-BPPONJQBXXZDGE_on_P41594_WT,High,ChEMBL30,CHEMBL1672536,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cccc2Cl,BPPONJQBXXZDGE,BPPONJQBXXZDGE-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-9-28-18-6-4-5-16(22)19(18)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,25,26,24,17,18,3,7,20,13,15,6,12,27,8,23,22,10,5,28,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;d24;s25;s22d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-BPPPQWRMTWGDJW_on_P14867_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-BPPPQWRMTWGDJW_on_P18507_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL676826;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.430;  7.500;  7.520;  7.400,7.462999999999999,0.049,0.027999999999999997,4.0,7.465,0.045
-BPPPQWRMTWGDJW_on_P28472_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.520;  7.430;  7.400;  7.500,7.462999999999999,0.049,0.027999999999999997,4.0,7.465,0.045
-BPPPQWRMTWGDJW_on_P31644_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-BPPPQWRMTWGDJW_on_P34903_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-BPPPQWRMTWGDJW_on_P47869_WT,Low,ChEMBL30,CHEMBL55450,c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1,BPPPQWRMTWGDJW,BPPPQWRMTWGDJW-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-9,15,22H,10-14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s18s22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-BPQHMBSDSOMOQL_on_P41594_WT,High,ChEMBL30,CHEMBL4060880,O=c1cc(SCc2ccccn2)nc2ccccn12,BPQHMBSDSOMOQL,BPQHMBSDSOMOQL-UHFFFAOYSA-N,"InChI=1S/C14H11N3OS/c18-14-9-13(16-12-6-2-4-8-17(12)14)19-10-11-5-1-3-7-15-11/h1-9H,10H2","""AuxInfo=1/0/N:9,16,10,17,8,15,11,18,3,6,7,14,4,2,12,13,19,1,5/rA:19OCCCSCCCCCCNNCCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;d13;s14;d15;s16;d17;s2s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-BPTASZCHRIMWEF_on_P14867_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.260,9.26,0.0,0.0,1.0,9.26,0.0
-BPTASZCHRIMWEF_on_P18507_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863773;CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.040;  9.260;  9.280;  9.300,9.22,0.105,0.061,4.0,9.27,0.02
-BPTASZCHRIMWEF_on_P28472_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863773;CHEMBL862572;CHEMBL863774;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.040;  9.300;  9.280;  9.260,9.22,0.105,0.061,4.0,9.27,0.02
-BPTASZCHRIMWEF_on_P31644_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-BPTASZCHRIMWEF_on_P34903_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-BPTASZCHRIMWEF_on_P47869_WT,Low,ChEMBL30,CHEMBL204156,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1,BPTASZCHRIMWEF,BPTASZCHRIMWEF-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,23,22,15,19,16,18,12,9,26,14,11,13,20,10,5,7,2,21,17,8,25,6,24,4/E:(1,2)(5,6)(7,8)/rA:26CCCOCNCNCCCCCCCCNCCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.040,9.04,0.0,0.0,1.0,9.04,0.0
-BPTJUESPQJBGOK_on_O00591_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_O14764_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P14867_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P18505_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P18507_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P28472_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P31644_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P34903_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P47869_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P47870_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P48169_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_P78334_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_Q16445_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BPTJUESPQJBGOK_on_Q99928_WT,Low,ChEMBL30,CHEMBL327802,Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2,BPTJUESPQJBGOK,BPTJUESPQJBGOK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3","""AuxInfo=1/0/N:1,12,18,19,11,13,17,20,10,8,16,15,9,6,3,7,2,5,4,14/rA:20CNCONCNCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BQAVZGJJQFJSMW_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,49765871;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319;CHEMBL2179319,FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,BQAVZGJJQFJSMW,BQAVZGJJQFJSMW-UHFFFAOYSA-N,"InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2","""AuxInfo=1/0/N:14,13,15,12,16,25,26,9,17,19,8,18,20,23,24,11,10,6,22,5,29,2,1,3,4,27,28,7,21/E:(2,3)(4,5)(6,7)(8,9)(11,12)(23,24,25)/rA:29FCFFCCNCCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;s7s17;s6;d19;s20;s21;s22;s23;s24;s24s25;d22;s27;s5s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711261;CHEMBL2185985;CHEMBL2185983;CHEMBL3858878;CHEMBL3858855;CHEMBL3858857;CHEMBL3858854;CHEMBL3858853;CHEMBL3858844;CHEMBL3858851,PMID:23072213,2012.0,PubChemAID:711261;PMID:23072213;PMID:23072213;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727,2013;2012;2012;2016;2016;2016;2016;2016;2016;2016,0;0;1;0;0;0;0;0;0;0,0;1;0;0;1;1;1;1;1;1,0,0;0;0;1;0;0;0;0;0;0,1;0;0;0;0;0;0;0;0;0,,=,  7.824;  6.570;  7.820;  7.820;  7.570;  7.630;  7.330;  6.420;  7.770;  8.320,7.507000000000001,0.56,0.187,10.0,7.7,0.127
-BQDSXKBRSCMFRW_on_P41594_WT,High,ChEMBL30,CHEMBL65022,Cc1nc(C#Cc2ncccc2)cs1,BQDSXKBRSCMFRW,BQDSXKBRSCMFRW-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)6-5-10-4-2-3-7-12-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,11,10,12,6,5,9,13,2,7,4,8,3,14/rA:14CCNCCCCNCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:12519057,2003.0,PMID:15225713,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-BQDUNOMMYOKHEP_on_P14867_WT,Low,ChEMBL30,CHEMBL373250,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403727;CHEMBL864002,PMID:16392789,2006.0,PMID:31738537;PMID:16392789,2020;2006,0,0,0,1,0,,=,  9.100;  9.100,9.1,0.0,0.0,2.0,9.1,0.0
-BQDUNOMMYOKHEP_on_P18507_WT,Low,ChEMBL30,CHEMBL373250,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004;CHEMBL864003;CHEMBL4403730;CHEMBL4403727;CHEMBL4403729;CHEMBL864005;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789;PMID:16392789;PMID:31738537;PMID:31738537;PMID:31738537;PMID:16392789;PMID:16392789,2006;2006;2020;2020;2020;2006;2006,0,0,0,1,0,,=,  9.150;  9.150;  8.650;  9.100;  9.170;  8.640;  9.100,8.994,0.222,0.091,7.0,9.1,0.05
-BQDUNOMMYOKHEP_on_P28472_WT,Low,ChEMBL30,CHEMBL373250,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL864003;CHEMBL864005;CHEMBL864002;CHEMBL4403729;CHEMBL4403730;CHEMBL4403727,PMID:16392789,2006.0,PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789;PMID:31738537;PMID:31738537;PMID:31738537,2006;2006;2006;2006;2020;2020;2020,0,0,0,1,0,,=,  9.150;  9.150;  8.640;  9.100;  9.170;  8.650;  9.100,8.994,0.222,0.091,7.0,9.1,0.05
-BQDUNOMMYOKHEP_on_P31644_WT,High,ChEMBL30,CHEMBL373250,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2327954,PMID:16392789,2006.0,PMID:23121096,2013,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-BQDUNOMMYOKHEP_on_P34903_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL373250;9908880,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2327956;PubChemAID:726246,PMID:16392789,2006.0,PMID:23121096;PubChemAID:726246,2013,0,0,0,1;0,0;1,,=,  9.150;  9.155,9.152000000000001,0.002,0.002,2.0,9.152000000000001,0.002
-BQDUNOMMYOKHEP_on_P47869_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL373250;9908880,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C,BQDUNOMMYOKHEP,BQDUNOMMYOKHEP-UHFFFAOYSA-N,"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3","""AuxInfo=1/0/N:27,28,29,1,17,16,20,24,7,4,18,13,25,14,23,6,12,9,26,19,15,5,3,22,21,10,2,11,8/E:(1,2,3)/rA:29CNNCNCCOCNNCCCFCCCFCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;d12;s21;s11d22;s23;s9d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2327955;PubChemAID:726245,PMID:16392789,2006.0,PMID:23121096;PubChemAID:726245,2013,0,0,0,1;0,0;1,,=,  9.150;  9.155,9.152000000000001,0.002,0.002,2.0,9.152000000000001,0.002
-BQFUPYCDLGZOSL_on_Q13255_WT,High,ChEMBL30,CHEMBL3759867,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)nco1,BQFUPYCDLGZOSL,BQFUPYCDLGZOSL-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,18,23,10,15,3,4,12,16,19,24,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCClCCCCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.890;  5.880,5.885,0.005,0.005,2.0,5.885,0.005
-BQFUPYCDLGZOSL_on_Q14833_WT,High,ChEMBL30,CHEMBL3759867,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)nco1,BQFUPYCDLGZOSL,BQFUPYCDLGZOSL-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,18,23,10,15,3,4,12,16,19,24,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCClCCCCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-BQKNSEWXHADRBL_on_Q14833_WT,Low,ChEMBL30,CHEMBL4250557,Cn1cnc2c1cc(Nc1c3ncccc3n[nH]1)cc2,BQKNSEWXHADRBL,BQKNSEWXHADRBL-UHFFFAOYSA-N,"InChI=1S/C14H12N6/c1-20-8-16-10-5-4-9(7-12(10)20)17-14-13-11(18-19-14)3-2-6-15-13/h2-8H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,14,15,19,20,13,7,3,8,5,16,6,11,10,12,4,9,17,18,2/rA:20CNCNCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BQLFSAFAUMMOKY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3942209,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1OC,BQLFSAFAUMMOKY,BQLFSAFAUMMOKY-UHFFFAOYSA-N,"InChI=1S/C25H24N4O3/c1-15-27-13-17(14-28-15)5-4-16-6-8-19-20(12-22(25(26)30)29-21(19)10-16)18-7-9-23(31-2)24(11-18)32-3/h6-14H,4-5H2,1-3H3,(H2,26,30)","""AuxInfo=1/1/N:25,1,32,19,20,17,5,16,4,28,29,8,22,27,24,18,21,6,15,7,14,9,3,30,10,11,23,26,13,12,2,31/E:(13,14)(27,28)/rA:32COCCCCCCCCNONCCCCCCCCCNCCNCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s3d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-BQLSSGOUEBSPRW_on_O00591_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_O14764_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P14867_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P18505_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P18507_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P28472_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P31644_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P34903_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P47869_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P47870_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P48169_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_P78334_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQLSSGOUEBSPRW_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322871,CCc1nc(N)ccc1C(=O)O,BQLSSGOUEBSPRW,BQLSSGOUEBSPRW-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,8,7,9,3,5,10,6,4,11,12/E:(11,12)/rA:12CCCNCNCCCCOO/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-BQMRSJAKTBDNHB_on_P14867_WT,Medium,ChEMBL30,CHEMBL358301,C=CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,BQMRSJAKTBDNHB,BQMRSJAKTBDNHB-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24)","""AuxInfo=1/1/N:1,2,18,17,19,16,6,3,5,9,20,13,8,14,7,12,10,22,15,11,24,4,21,23/rA:24CCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;s5;s6;d7;s4s8;s8;d10;s11;s12;d13;s14;s14;d16;s17;s13d18;d12;s10s20;s21;s22;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-BQMRSJAKTBDNHB_on_P34903_WT,Medium,ChEMBL30,CHEMBL358301,C=CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,BQMRSJAKTBDNHB,BQMRSJAKTBDNHB-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24)","""AuxInfo=1/1/N:1,2,18,17,19,16,6,3,5,9,20,13,8,14,7,12,10,22,15,11,24,4,21,23/rA:24CCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;s5;s6;d7;s4s8;s8;d10;s11;s12;d13;s14;s14;d16;s17;s13d18;d12;s10s20;s21;s22;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-BQMRSJAKTBDNHB_on_P47869_WT,Medium,ChEMBL30,CHEMBL358301,C=CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,BQMRSJAKTBDNHB,BQMRSJAKTBDNHB-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24)","""AuxInfo=1/1/N:1,2,18,17,19,16,6,3,5,9,20,13,8,14,7,12,10,22,15,11,24,4,21,23/rA:24CCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;s5;s6;d7;s4s8;s8;d10;s11;s12;d13;s14;s14;d16;s17;s13d18;d12;s10s20;s21;s22;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-BQOUGDGGUWVLTD_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL605836;CHEMBL605836;46190877,Cn1c(CN2CCN(c3c(Cl)cc(C(F)(F)F)cn3)CC2)nc2c1cccc2,BQOUGDGGUWVLTD,BQOUGDGGUWVLTD-UHFFFAOYSA-N,"InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,27,26,28,25,6,21,7,20,12,18,4,13,10,23,24,3,9,14,11,15,16,17,19,22,2,5,8/E:(6,7)(8,9)(21,22,23)/rA:28CNCCNCCNCCClCCCFFFCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917;PubChemAID:453995,PMID:20005096,2010.0,PMID:20005096;PMID:20005096;PubChemAID:453995,2010,0,1;1;0,0,0,0;0;1,,=,  7.100;  5.700;  7.100,6.632999999999999,0.66,0.467,3.0,7.1,0.0
-BQTFLGSTZRWVCK_on_Q14833_WT,High,ChEMBL30,CHEMBL3800579,O=C(Nc1cc(Cl)c(N2C(=O)c3c(cccc3)C2=O)cc1)c1c(O)cccn1,BQTFLGSTZRWVCK,BQTFLGSTZRWVCK-UHFFFAOYSA-N,"InChI=1S/C20H12ClN3O4/c21-14-10-11(23-18(26)17-16(25)6-3-9-22-17)7-8-15(14)24-19(27)12-4-1-2-5-13(12)20(24)28/h1-10,25H,(H,23,26)","""AuxInfo=1/1/N:15,16,26,14,17,25,21,20,27,5,4,13,12,6,8,23,22,2,18,10,7,28,3,9,24,1,19,11/E:(1,2)(4,5)(12,13)(19,20)(27,28)/rA:28OCNCCCClCNCOCCCCCCCOCCCCOCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;d18;s8;s4d20;s2;d22;s23;s23;d25;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-BQUBBDZDEOJEQD_on_P41594_WT,High,ChEMBL30,CHEMBL3702393,CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4-n4cccn4)C3=C2)cn1,BQUBBDZDEOJEQD,BQUBBDZDEOJEQD-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-15(2)28-14-16(12-25-28)19-11-21-17-5-3-6-20(27-9-4-8-24-27)18(17)7-10-26(21)22(29)13-23-19/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,23,17,19,14,24,22,13,27,28,9,5,2,6,16,15,7,20,26,10,8,25,29,12,21,4,11/E:(1,2)/rA:29CCCNCCCNCCONCCCCCCCCNCCCNCCCN/rB:s1;s2;s2;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;d22;s23;s21d24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-BQUBBDZDEOJEQD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702393,CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4-n4cccn4)C3=C2)cn1,BQUBBDZDEOJEQD,BQUBBDZDEOJEQD-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-15(2)28-14-16(12-25-28)19-11-21-17-5-3-6-20(27-9-4-8-24-27)18(17)7-10-26(21)22(29)13-23-19/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,23,17,19,14,24,22,13,27,28,9,5,2,6,16,15,7,20,26,10,8,25,29,12,21,4,11/E:(1,2)/rA:29CCCNCCCNCCONCCCCCCCCNCCCNCCCN/rB:s1;s2;s2;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;d22;s23;s21d24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-BQUGCIBMYSKXRH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11564671;CHEMBL381031,Nc1nc(C#Cc2cnccc2)cs1,BQUGCIBMYSKXRH,BQUGCIBMYSKXRH-UHFFFAOYSA-N,"InChI=1S/C10H7N3S/c11-10-13-9(7-14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,(H2,11,13)","""AuxInfo=1/1/N:11,12,6,5,10,8,13,7,4,2,1,9,3,14/rA:14NCNCCCCCNCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.103;  6.100,6.101,0.002,0.002,2.0,6.101,0.002
-BQUMEJOETXDKQW_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682793;CHEMBL1682793;53317110,O=c1ccnc2cc(C#Cc3ccccc3)ccn12,BQUMEJOETXDKQW,BQUMEJOETXDKQW-UHFFFAOYSA-N,"InChI=1S/C16H10N2O/c19-16-8-10-17-15-12-14(9-11-18(15)16)7-6-13-4-2-1-3-5-13/h1-5,8-12H","""AuxInfo=1/0/N:14,13,15,12,16,10,9,3,17,4,18,7,11,8,6,2,5,19,1/E:(2,3)(4,5)/rA:19OCCCNCCCCCCCCCCCCCN/rB:d1;s2;d3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;d17;s2s6s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PubChemAID:579858,2011,0,1;1;0,0,0,0;0;1,,=,  7.270;  7.270;  7.270,7.27,0.0,0.0,3.0,7.27,0.0
-BQVZICWQBFTOJX_on_O15303_WT,High,ExCAPE-DB;ExCAPE-DB;ChEMBL30;ChEMBL30,11310142;11344646;CHEMBL192051;CHEMBL365368,CC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BQVZICWQBFTOJX,BQVZICWQBFTOJX-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,14,10,9,11,6,4,5,12,13,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:748163;PubChemAID:748163;CHEMBL2382646;CHEMBL2382646,PMID:23675965,2013.0,PubChemAID:748163;PubChemAID:748163;PMID:23675965;PMID:23675965,2014;2014;2013;2013,0,0;0;1;1,0,0,1;1;0;0,,=,  5.123;  5.032;  5.120;  5.030,5.0760000000000005,0.045,0.026000000000000002,4.0,5.0760000000000005,0.045
-BQVZICWQBFTOJX_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL365368;CHEMBL365368;CHEMBL365368;CHEMBL192051;CHEMBL192051;CHEMBL192051;CHEMBL192051;CHEMBL192051;11344646,CC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BQVZICWQBFTOJX,BQVZICWQBFTOJX-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,14,10,9,11,6,4,5,12,13,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL839634;CHEMBL833280;CHEMBL2383450;CHEMBL2383450;CHEMBL839634;CHEMBL833280;CHEMBL839634;CHEMBL833280;PubChemAID:748171,PMID:15887967,2005.0,PMID:15887967;PMID:15887967;PMID:23675965;PMID:23675965;PMID:15887967;PMID:15887967;PMID:15887967;PMID:15887967;PubChemAID:748171,2005;2005;2013;2013;2005;2005;2005;2005;2014,0,0;1;1;1;0;1;0;1;0,0,1;0;0;0;1;0;1;0;0,0;0;0;0;0;0;0;0;1,,=,  6.200;  7.350;  7.540;  7.200;  6.390;  6.400;  6.780;  6.790;  7.544,6.91,0.488,0.17300000000000001,9.0,6.79,0.41
-BQVZICWQBFTOJX_on_Q14832_WT,High,ChEMBL30,CHEMBL365368;CHEMBL365368;CHEMBL365368;CHEMBL192051;CHEMBL192051;CHEMBL192051;CHEMBL192051;CHEMBL192051,CC1CC(N)(C(=O)O)C2C(C(=O)O)C12,BQVZICWQBFTOJX,BQVZICWQBFTOJX-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,14,10,9,11,6,4,5,12,13,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCOOC/rB:s1;s2;s3;s4;s4;d6;s6;s4;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL839635;CHEMBL833281;CHEMBL2383344;CHEMBL2382648;CHEMBL836553;CHEMBL836553;CHEMBL839635;CHEMBL839635,PMID:15887967,2005.0,PMID:15887967;PMID:15887967;PMID:23675965;PMID:23675965;PMID:15887967;PMID:15887967;PMID:15887967;PMID:15887967,2005;2005;2013;2013;2005;2005;2005;2005,0;0;0;1;1;1;0;0,0;1;1;0;0;0;0;0,0,1;0;0;0;0;0;1;1,0,,=,  6.290;  7.470;  6.780;  5.470;  5.530;  5.980;  6.520;  6.240,6.285,0.616,0.233,8.0,6.265,0.4
-BQWBRNVXMLRZND_on_P41594_WT,Medium,ChEMBL30,CHEMBL3983913,O=C1OC2COCCC2N1c1ccc(C#Cc2ccccc2)cn1,BQWBRNVXMLRZND,BQWBRNVXMLRZND-UHFFFAOYSA-N,"InChI=1S/C19H16N2O3/c22-19-21(16-10-11-23-13-17(16)24-19)18-9-8-15(12-20-18)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,16-17H,10-11,13H2","""AuxInfo=1/0/N:20,19,21,18,22,16,15,13,12,8,7,23,5,17,14,9,4,11,2,24,10,1,6,3/E:(2,3)(4,5)/rA:24OCOCCOCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-BQWZDXNKDYRCJK_on_P18507_WT,Low,ChEMBL30,CHEMBL565510,O=C(c1c2Cn3nccc3-c3c(cccc3)-n2cn1)C1CC1,BQWZDXNKDYRCJK,BQWZDXNKDYRCJK-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2","""AuxInfo=1/0/N:15,14,16,13,21,22,9,8,5,18,20,11,12,10,4,3,2,19,7,17,6,1/E:(5,6)/rA:22OCCCCNNCCCCCCCCCNCNCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;s2;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-BQWZDXNKDYRCJK_on_P28472_WT,Low,ChEMBL30,CHEMBL565510,O=C(c1c2Cn3nccc3-c3c(cccc3)-n2cn1)C1CC1,BQWZDXNKDYRCJK,BQWZDXNKDYRCJK-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2","""AuxInfo=1/0/N:15,14,16,13,21,22,9,8,5,18,20,11,12,10,4,3,2,19,7,17,6,1/E:(5,6)/rA:22OCCCCNNCCCCCCCCCNCNCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;s2;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-BQWZDXNKDYRCJK_on_P31644_WT,Low,ChEMBL30,CHEMBL565510,O=C(c1c2Cn3nccc3-c3c(cccc3)-n2cn1)C1CC1,BQWZDXNKDYRCJK,BQWZDXNKDYRCJK-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2","""AuxInfo=1/0/N:15,14,16,13,21,22,9,8,5,18,20,11,12,10,4,3,2,19,7,17,6,1/E:(5,6)/rA:22OCCCCNNCCCCCCCCCNCNCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;s2;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-BQZANZFRNAZTLQ_on_O00222_WT,High,ExCAPE-DB,73058456,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(C)=O)cc3)c2C)cc1,BQZANZFRNAZTLQ,BQZANZFRNAZTLQ-UHFFFAOYSA-N,"InChI=1S/C24H24N2O5/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.469,5.468999999999999,0.0,0.0,1.0,5.468999999999999,0.0
-BQZANZFRNAZTLQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560146,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(C)=O)cc3)c2C)cc1,BQZANZFRNAZTLQ,BQZANZFRNAZTLQ-UHFFFAOYSA-N,"InChI=1S/C24H24N2O5/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-BQZANZFRNAZTLQ_on_Q14833_WT,High,ExCAPE-DB,73058456,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(C)=O)cc3)c2C)cc1,BQZANZFRNAZTLQ,BQZANZFRNAZTLQ-UHFFFAOYSA-N,"InChI=1S/C24H24N2O5/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","""AuxInfo=1/1/N:11,29,24,1,6,31,20,26,7,30,19,27,12,16,10,28,23,5,21,8,18,13,14,3,22,9,25,15,4,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCNCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BQZQFDZRXQZAGE_on_P41594_WT,High,ChEMBL30,CHEMBL3702438,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccnc1F)ccc3,BQZQFDZRXQZAGE,BQZQFDZRXQZAGE-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c23-21-20(24-7-8-25-21)16-3-1-2-15-14(16)6-9-29-17(15)10-18(26-11-19(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,7-8,10,12-13H,4-6,9,11H2","""AuxInfo=1/0/N:30,31,29,11,12,18,24,25,19,14,3,7,10,17,16,21,15,5,2,22,27,9,28,23,26,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BQZQFDZRXQZAGE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702438,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccnc1F)ccc3,BQZQFDZRXQZAGE,BQZQFDZRXQZAGE-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c23-21-20(24-7-8-25-21)16-3-1-2-15-14(16)6-9-29-17(15)10-18(26-11-19(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,7-8,10,12-13H,4-6,9,11H2","""AuxInfo=1/0/N:30,31,29,11,12,18,24,25,19,14,3,7,10,17,16,21,15,5,2,22,27,9,28,23,26,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-BRCXHVAMPGLIAD_on_Q14416_WT,High,ChEMBL30,CHEMBL3763172,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(S(C)(=O)=O)cc1)cc2,BRCXHVAMPGLIAD,BRCXHVAMPGLIAD-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3S/c1-19(2,3)12-22-16-11-10-15(20-17(16)21(4)18(22)23)13-6-8-14(9-7-13)26(5,24)25/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:8,9,10,1,20,16,24,17,23,25,26,6,15,18,14,11,12,3,7,13,2,5,4,21,22,19/E:(1,2,3)(6,7)(8,9)(24,25)/CRV:26.6/rA:26CNCONCCCCCCCNCCCCCSCOOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s19;d19;d19;s18;s15d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-BRFPFSSRRWJIGK_on_O00591_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_O14764_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P14867_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P18505_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P18507_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P28472_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P31644_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P34903_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P47869_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P47870_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P48169_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_P78334_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_Q16445_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPFSSRRWJIGK_on_Q99928_WT,Low,ChEMBL30,CHEMBL67774,COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,BRFPFSSRRWJIGK,BRFPFSSRRWJIGK-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-22-14-8-4-7-12-16(14)17-18(21-12)15-10-5-2-3-6-11(10)20-13(15)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,20,19,7,21,18,6,8,13,16,17,5,14,3,15,4,11,10,12,22,9,2/rA:22COCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s10d14;s15;d16;s17;d18;s19;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-BRFPNGGYSRUCIN_on_P31644_WT,High,ChEMBL30,CHEMBL3676422,Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccc(F)cn2)no1,BRFPNGGYSRUCIN,BRFPNGGYSRUCIN-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)15-4-3-13(19)9-21-15)10-26-16-5-2-12(8-22-16)18(25)20-6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,20,25)","""AuxInfo=1/1/N:1,8,21,20,7,13,14,16,24,4,2,9,22,3,19,6,18,10,23,12,25,17,26,15,11,5,27/rA:27CCCCOCCCCCONCCOCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-BRFSAHREHOBUQM_on_Q05586_WT,Low,ChEMBL30,CHEMBL595566,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,BRFSAHREHOBUQM,BRFSAHREHOBUQM-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O4S/c1-28(26,27)23-12-5-2-11(3-6-12)4-9-16(24)21-22-17(25)20-13-7-8-14(18)15(19)10-13/h2-3,5-8,10,23H,4,9H2,1H3,(H,21,24)(H2,20,22,25)","""AuxInfo=1/1/N:1,8,27,10,7,28,20,21,11,26,9,6,19,22,24,12,16,23,25,18,14,15,5,13,17,3,4,2/E:(2,3)(5,6)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONNCONCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-BRFSAHREHOBUQM_on_Q13224_WT,Low,ChEMBL30,CHEMBL595566,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,BRFSAHREHOBUQM,BRFSAHREHOBUQM-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O4S/c1-28(26,27)23-12-5-2-11(3-6-12)4-9-16(24)21-22-17(25)20-13-7-8-14(18)15(19)10-13/h2-3,5-8,10,23H,4,9H2,1H3,(H,21,24)(H2,20,22,25)","""AuxInfo=1/1/N:1,8,27,10,7,28,20,21,11,26,9,6,19,22,24,12,16,23,25,18,14,15,5,13,17,3,4,2/E:(2,3)(5,6)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONNCONCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-BRHDBFJSMZYTAM_on_Q14416_WT,High,ChEMBL30,CHEMBL4290744,CC1(C)CCc2c1ccc(OCC1Cn3ccc(=O)nc3O1)c2,BRHDBFJSMZYTAM,BRHDBFJSMZYTAM-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,9,8,5,17,4,16,23,14,12,6,10,13,7,18,21,2,20,15,19,11,22/E:(1,2)/rA:23CCCCCCCCCCOCCCNCCCONCOC/rB:s1;s2;s2;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s18;s15d20;s13s21;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-BRHDHCCBLFEIRY_on_P14867_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.640,9.64,0.0,0.0,1.0,9.64,0.0
-BRHDHCCBLFEIRY_on_P18507_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL683045;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.640;  9.770;  9.920;  7.760;  9.360,9.29,0.787,0.39299999999999996,5.0,9.64,0.28
-BRHDHCCBLFEIRY_on_P28472_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL683045;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.920;  9.770;  7.760;  9.640;  9.360,9.29,0.787,0.39299999999999996,5.0,9.64,0.28
-BRHDHCCBLFEIRY_on_P31644_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.360,9.36,0.0,0.0,1.0,9.36,0.0
-BRHDHCCBLFEIRY_on_P34903_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-BRHDHCCBLFEIRY_on_P47869_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-BRHDHCCBLFEIRY_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144615,Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1,BRHDHCCBLFEIRY,BRHDHCCBLFEIRY-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCClCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-BRJGPYREHPMBAR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3122222;76321785,CCNC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,BRJGPYREHPMBAR,BRJGPYREHPMBAR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O2/c1-4-18-17(23)15-13-8-9-14(20-16(13)22(3)21-15)24-10-12-7-5-6-11(2)19-12/h5-9H,4,10H2,1-3H3,(H,18,23)","""AuxInfo=1/1/N:1,22,9,2,19,20,18,12,13,16,21,17,11,14,6,10,4,3,23,24,7,8,5,15/rA:24CCNCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717;PubChemAID:1071426,PMID:24392688,2014.0,PMID:24392688;PubChemAID:1071426,2014,0,0,0,1;0,0;1,,=,  7.260;  7.263,7.261,0.002,0.002,2.0,7.261,0.002
-BRJGPYREHPMBAR_on_Q13255_WT,Low,ChEMBL30,CHEMBL3122222,CCNC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,BRJGPYREHPMBAR,BRJGPYREHPMBAR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O2/c1-4-18-17(23)15-13-8-9-14(20-16(13)22(3)21-15)24-10-12-7-5-6-11(2)19-12/h5-9H,4,10H2,1-3H3,(H,18,23)","""AuxInfo=1/1/N:1,22,9,2,19,20,18,12,13,16,21,17,11,14,6,10,4,3,23,24,7,8,5,15/rA:24CCNCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-BRKGAZHLBSKZJN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903111,CC(C)CC1COCCN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1,BRKGAZHLBSKZJN,BRKGAZHLBSKZJN-UHFFFAOYSA-N,"InChI=1S/C23H29N5O2/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29)","""AuxInfo=1/1/N:1,3,20,13,14,9,8,4,30,23,22,11,18,6,2,12,17,5,15,16,29,24,25,26,21,28,19,10,27,7/E:(1,2)/rA:30CCCCCCOCCNCCCCCCCCNCNCCCCNONCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s19;s19;s17d21;d16;s23;s24;s25;d25;d24;s15s28;s12d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BRKUTQGSVAOCPC_on_Q13255_WT,High,ChEMBL30,CHEMBL3628111,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)occ1,BRKUTQGSVAOCPC,BRKUTQGSVAOCPC-UHFFFAOYSA-N,"InChI=1S/C20H12Cl2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCClCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.480;  7.480,7.48,0.0,0.0,2.0,7.48,0.0
-BRKUTQGSVAOCPC_on_Q14833_WT,High,ChEMBL30,CHEMBL3628111,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)occ1,BRKUTQGSVAOCPC,BRKUTQGSVAOCPC-UHFFFAOYSA-N,"InChI=1S/C20H12Cl2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCClCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  5.940;  5.940,5.94,0.0,0.0,2.0,5.94,0.0
-BRNZXWSBTOZXOJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681538,COC1CN(C(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1,BRNZXWSBTOZXOJ,BRNZXWSBTOZXOJ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-14-18(20(23-28-14)15-6-4-3-5-7-15)13-27-19-9-8-16(10-22-19)21(25)24-11-17(12-24)26-2/h3-10,17H,11-13H2,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,9,10,27,4,28,13,15,20,8,3,14,11,19,6,26,18,5,7,2,12,17/E:(4,5)(6,7)(11,12)/rA:28COCCNCOCCCCOCCCCONCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s15;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11;s8d26;s3s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-BRTMFTZMPQRINR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361973;11219258,Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1,BRTMFTZMPQRINR,BRTMFTZMPQRINR-UHFFFAOYSA-N,"InChI=1S/C11H10ClN5O/c1-6-3-2-4-8(15-6)17-11(18)9-10(13)14-5-7(12)16-9/h2-5H,1H3,(H2,13,14)(H,15,17,18)","""AuxInfo=1/1/N:1,4,3,5,14,2,12,6,10,16,8,13,17,15,18,11,7,9/rA:18CCCCCCNCOCNCClCNCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  8.300;  8.301,8.3,0.001,0.001,2.0,8.3,0.0
-BRWBJAJFMCUUKI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3975540,Fc1ccc(Nc2c3nccnc3n[nH]2)cc1Cl,BRWBJAJFMCUUKI,BRWBJAJFMCUUKI-UHFFFAOYSA-N,"InChI=1S/C11H7ClFN5/c12-7-5-6(1-2-8(7)13)16-11-9-10(17-18-11)15-4-3-14-9/h1-5H,(H2,15,16,17,18)","""AuxInfo=1/1/N:4,3,10,11,16,5,17,2,8,13,7,18,1,9,12,6,14,15/rA:18FCCCCNCCNCCNCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-BRYPHYOGDVFMNH_on_P41594_WT,High,ChEMBL30,CHEMBL3672904,COCc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1,BRYPHYOGDVFMNH,BRYPHYOGDVFMNH-UHFFFAOYSA-N,"InChI=1S/C16H16BrN5O2S/c1-24-9-15-19-11-2-4-21(5-3-13(11)25-15)16(23)12-6-14-18-7-10(17)8-22(14)20-12/h6-8H,2-5,9H2,1H3","""AuxInfo=1/0/N:1,24,8,23,9,22,19,16,3,17,6,13,7,21,4,11,18,20,5,14,10,15,12,2,25/rA:25COCCNCCCCNCOCNNCCBrCNCCCCS/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;s17;d19;s15s20;s13d21;s10;s6s23;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-BSBLYLUAUVTSMM_on_O00591_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_O14764_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P14867_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P18505_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P18507_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P28472_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P31644_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P34903_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P47869_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P47870_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P48169_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_P78334_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_Q16445_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSBLYLUAUVTSMM_on_Q99928_WT,Low,ChEMBL30,CHEMBL444586,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2,BSBLYLUAUVTSMM,BSBLYLUAUVTSMM-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4/c1-25-8-2-3-16(25)9-14-12-23-19-6-5-17(11-18(14)19)26-13-24-20-10-15(22)4-7-21(20)26/h4-7,10-13,16,23H,2-3,8-9H2,1H3","""AuxInfo=1/0/N:1,4,5,21,25,26,20,3,7,24,13,9,16,8,22,6,14,12,11,18,19,23,10,17,2,15/rA:26CNCCCCCCCNCCCCNCNCCCCCClCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s18d22;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-BSEOVPIAKAXQST_on_P14867_WT,Medium,ChEMBL30,CHEMBL356271,COc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,BSEOVPIAKAXQST,BSEOVPIAKAXQST-UHFFFAOYSA-N,"InChI=1S/C23H22N4O2/c1-29-18-9-7-17(8-10-18)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,21,20,22,19,23,5,28,4,29,25,24,17,15,8,18,6,3,14,13,7,26,10,27,12,16,9,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:29COCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s9s14;s7d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-BSEOVPIAKAXQST_on_P47869_WT,Medium,ChEMBL30,CHEMBL356271,COc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,BSEOVPIAKAXQST,BSEOVPIAKAXQST-UHFFFAOYSA-N,"InChI=1S/C23H22N4O2/c1-29-18-9-7-17(8-10-18)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,21,20,22,19,23,5,28,4,29,25,24,17,15,8,18,6,3,14,13,7,26,10,27,12,16,9,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:29COCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s9s14;s7d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-BSFSWQDELBLJJG_on_Q14833_WT,Low,ChEMBL30,CHEMBL3800490,Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cc(Cl)cc4)C3=O)cc2)nccc1,BSFSWQDELBLJJG,BSFSWQDELBLJJG-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N4O2/c21-12-4-3-11-10-26(20(28)14(11)8-12)17-6-5-13(9-15(17)22)25-19(27)18-16(23)2-1-7-24-18/h1-9H,10,23H2,(H,25,27)","""AuxInfo=1/1/N:27,28,20,19,24,23,26,16,8,13,14,17,7,15,9,2,11,3,4,21,18,10,1,25,6,12,5,22/rA:28NCCCONCCCClCNCCCCCClCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,>;<,  5.000;  8.000,6.5,1.5,1.5,2.0,6.5,1.5
-BSFXHAPAXMFAFH_on_Q13255_WT,High,ChEMBL30,CHEMBL178592,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1Cl,BSFXHAPAXMFAFH,BSFXHAPAXMFAFH-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,17,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,22,23,21,11,16/E:(4,5)(7,8)/rA:23CCCCCCCCCCOCCCCOCCCCNCCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BSGDAQUITSTZGB_on_Q13255_WT,High,ChEMBL30,CHEMBL1951688,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(C)cc2)c1=O,BSGDAQUITSTZGB,BSGDAQUITSTZGB-UHFFFAOYSA-N,"InChI=1S/C18H15N3OS/c1-11-3-5-12(6-4-11)21-10-8-13-15-14(19-2)7-9-20-17(15)23-16(13)18(21)22/h3-10H,1-2H3,(H,19,20)","""AuxInfo=1/1/N:19,1,17,20,16,21,8,12,7,13,18,15,11,3,4,10,5,22,2,6,14,23,9/E:(3,4)(5,6)/rA:23CNCCCNCCSCCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-BSIDCFSULQZDRV_on_Q14833_WT,High,ChEMBL30,CHEMBL4067152,Cc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1,BSIDCFSULQZDRV,BSIDCFSULQZDRV-UHFFFAOYSA-N,"InChI=1S/C19H14N2O2/c1-12-6-7-18-15(8-12)16(21-22)10-19(23-18)17-9-13-4-2-3-5-14(13)11-20-17/h2-11,22H,1H3","""AuxInfo=1/0/N:1,14,13,15,12,3,4,23,17,18,10,2,16,11,22,19,8,5,7,9,20,21,6/rA:23CCCCCOCCNCCCCCCCCCCNOCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8d16;d7;s18;w?19;s20;s5s19;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-BSIQTYGSKNJGGV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54582596;CHEMBL1779847;CHEMBL1779847,CN1CCc2c(ccc(C#Cc3ccccc3)n2)C1=O,BSIQTYGSKNJGGV,BSIQTYGSKNJGGV-UHFFFAOYSA-N,"InChI=1S/C17H14N2O/c1-19-12-11-16-15(17(19)20)10-9-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-10H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,8,7,4,3,12,9,6,5,19,18,2,20/E:(3,4)(5,6)/rA:20CNCCCCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780494;CHEMBL1780498,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137;PMID:21531137,2012;2011;2011,0;1;0,0,0,0;0;1,1;0;0,,=,  7.523;  7.520;  6.120,7.053999999999999,0.6609999999999999,0.467,3.0,7.52,0.003
-BSJGRAZXJZXELO_on_P41594_WT,High,ChEMBL30,CHEMBL247495,CN1CC(=O)N=C1NC(=O)Nc1ccccc1,BSJGRAZXJZXELO,BSJGRAZXJZXELO-UHFFFAOYSA-N,"InChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,12,4,7,9,11,6,8,2,5,10/E:(3,4)(5,6)/rA:17CNCCONCNCONCCCCCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-BSJXQBNOVPYHPA_on_P14867_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-BSJXQBNOVPYHPA_on_P18507_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339;CHEMBL681405;CHEMBL682253;CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.820;  6.740;  7.160;  6.920,7.16,0.409,0.23600000000000002,4.0,7.04,0.21
-BSJXQBNOVPYHPA_on_P28472_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL681405;CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.920;  6.740;  7.820;  7.160,7.16,0.409,0.23600000000000002,4.0,7.04,0.21
-BSJXQBNOVPYHPA_on_P31644_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-BSJXQBNOVPYHPA_on_P34903_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-BSJXQBNOVPYHPA_on_P47869_WT,Low,ChEMBL30,CHEMBL70526,CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,BSJXQBNOVPYHPA,BSJXQBNOVPYHPA-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCOCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-BSKZJAUEUXIFHN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983820,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cccnc2N)c3)cc1,BSKZJAUEUXIFHN,BSKZJAUEUXIFHN-UHFFFAOYSA-N,"InChI=1S/C24H22N4O2/c1-30-18-9-7-16(8-10-18)20-14-22(24(26)29)28-21-13-15(5-11-19(20)21)4-6-17-3-2-12-27-23(17)25/h2-3,5,7-14H,4,6H2,1H3,(H2,25,27)(H2,26,29)","""AuxInfo=1/1/N:1,23,22,19,17,20,5,29,4,30,16,24,28,8,18,6,21,3,15,7,14,9,26,10,27,11,25,13,12,2/E:(7,8)(9,10)/rA:30COCCCCCCCCNONCCCCCCCCCCCNCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s14d18;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-BSMXSPNFSZCJRG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3972975,Cc1c(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)sc(NC(=O)c2ccccn2)n1,BSMXSPNFSZCJRG,BSMXSPNFSZCJRG-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O3S2/c1-11-16(28-17(23-11)24-15(25)14-7-2-3-8-22-14)29(26,27)10-12-5-4-6-13(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,23,24,25)","""AuxInfo=1/1/N:1,25,26,10,9,11,24,27,17,7,2,8,12,23,21,3,19,13,14,15,16,28,29,20,22,5,6,18,4/E:(19,20,21)(26,27)/CRV:29.6/rA:29CCCSOOCCCCCCCFFFCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s12;s13;s13;s13;s8d12;s3;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.610,5.61,0.0,0.0,1.0,5.61,0.0
-BSRXAWATLADJTQ_on_Q14833_WT,High,ChEMBL30,CHEMBL3808861,CCc1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1,BSRXAWATLADJTQ,BSRXAWATLADJTQ-UHFFFAOYSA-N,"InChI=1S/C18H15F2N3O3S2/c1-2-14-17(28(25,26)10-11-12(19)6-5-7-13(11)20)27-18(22-14)23-16(24)15-8-3-4-9-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,13,12,14,23,26,8,9,10,15,3,22,20,4,18,11,16,27,28,19,21,6,7,17,5/E:(6,7)(12,13)(19,20)(25,26)/CRV:28.6/rA:28CCCCSOOCCCFCCCCFSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;s10;d12;s13;s9d14;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.820;  6.820,6.82,0.0,0.0,2.0,6.82,0.0
-BSVXKEIHNZPOPN_on_P41594_WT,Low,ChEMBL30,CHEMBL246727,O=C(Nc1cccc(F)c1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1,BSVXKEIHNZPOPN,BSVXKEIHNZPOPN-UHFFFAOYSA-N,"InChI=1S/C21H14FN3O3/c22-16-8-5-10-17(24-19(26)18-9-3-4-11-23-18)15(16)12-25-20(27)13-6-1-2-7-14(13)21(25)28/h1-11H,12H2,(H,24,26)","""AuxInfo=1/1/N:18,19,25,26,6,17,20,7,24,5,27,11,16,15,10,8,4,23,2,21,13,9,28,3,12,1,22,14/E:(1,2)(6,7)(13,14)(20,21)(27,28)/rA:28OCNCCCCCFCCNCOCCCCCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s4d8;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BSWDMNSNGGPJSQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3977338,CC1(C)CCN(c2ccc(C#Cc3ccccc3)nn2)C(=O)O1,BSWDMNSNGGPJSQ,BSWDMNSNGGPJSQ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2/c1-18(2)12-13-21(17(22)23-18)16-11-10-15(19-20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,9,8,4,5,13,10,7,21,2,19,20,6,22,23/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCCCCCCCCCCCNNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-BSWOCOGDVRDBHG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111287,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)F,BSWOCOGDVRDBHG,BSWOCOGDVRDBHG-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-9-14(5-7-26-13)20-18-6-8-30-16(11-23)12-28(18)22(27-20)15-3-4-17(21(24)25)19(10-15)29-2/h3-5,7,9-10,16,21H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,25,26,10,17,11,18,15,4,21,23,13,9,5,20,27,16,3,8,28,6,22,29,30,12,7,24,2,19/E:(24,25)/rA:30COCCCCNCCCCNCCCCCCOCCFCNCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-BSXAXDHXYFYFPY_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269127,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2,BSXAXDHXYFYFPY,BSXAXDHXYFYFPY-UHFFFAOYSA-N,"InChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,2,6,9,4,11,13,32,34,36,18,38,30,37,28,19,33,31,35,17,26,15,29,1,5,10,14,25,27,16/E:(2,3)(8,9)(16,17,18)(20,21,22)(25,26,27)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s32;s33;s34;s31s35;s29s35;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-BSXAXDHXYFYFPY_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269127,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2,BSXAXDHXYFYFPY,BSXAXDHXYFYFPY-UHFFFAOYSA-N,"InChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,2,6,9,4,11,13,32,34,36,18,38,30,37,28,19,33,31,35,17,26,15,29,1,5,10,14,25,27,16/E:(2,3)(8,9)(16,17,18)(20,21,22)(25,26,27)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s32;s33;s34;s31s35;s29s35;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-BSXAXDHXYFYFPY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1269127,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2,BSXAXDHXYFYFPY,BSXAXDHXYFYFPY-UHFFFAOYSA-N,"InChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,2,6,9,4,11,13,32,34,36,18,38,30,37,28,19,33,31,35,17,26,15,29,1,5,10,14,25,27,16/E:(2,3)(8,9)(16,17,18)(20,21,22)(25,26,27)/rA:38NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s32;s33;s34;s31s35;s29s35;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-BSXGSPARFQTNEN_on_O15399_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_O60391_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_Q05586_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_Q12879_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_Q13224_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSXGSPARFQTNEN_on_Q14957_WT,Low,ChEMBL30,CHEMBL288839,Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2,BSXGSPARFQTNEN,BSXGSPARFQTNEN-UHFFFAOYSA-N,"InChI=1S/C10H6N4O4/c1-4-5(3-11)2-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h2H,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,9,11,2,10,8,7,3,14,16,12,13,18,4,15,17,5,6/E:(17,18)/CRV:14.5/rA:18CCCN+OO-CCCCCNNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;t11;s8;d13;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-BSZIGVODBMPKAH_on_O00591_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_O14764_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P14867_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P18505_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P18507_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P28472_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P31644_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P34903_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P47869_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P47870_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P48169_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_P78334_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_Q16445_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BSZIGVODBMPKAH_on_Q99928_WT,Low,ChEMBL30,CHEMBL57743,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC,BSZIGVODBMPKAH,BSZIGVODBMPKAH-UHFFFAOYSA-N,"InChI=1S/C16H15N3O4/c1-8-11(15(20)22-2)13(17)12-9-6-4-5-7-10(9)19(14(12)18-8)16(21)23-3/h4-7H,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:7,1,23,17,16,18,15,6,13,14,5,10,11,9,3,20,12,8,19,4,21,2,22/rA:23COCOCCCNCCCNCCCCCCNCOOC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-BTCRVOSPHNKQGJ_on_P14867_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.610;  7.610,7.61,0.0,0.0,2.0,7.61,0.0
-BTCRVOSPHNKQGJ_on_P18507_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823761;CHEMBL682251;CHEMBL681248;CHEMBL822162;CHEMBL685337;CHEMBL678329;CHEMBL824294;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:10633039;PMID:9651158;PMID:10633039,1998;2000;2000;1998;1998;2000;1998;2000,0,0,0,1,0,,=,  6.570;  6.570;  6.670;  7.610;  6.480;  7.610;  6.670;  6.480,6.832999999999999,0.45399999999999996,0.172,8.0,6.62,0.095
-BTCRVOSPHNKQGJ_on_P28472_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685337;CHEMBL823761;CHEMBL681480;CHEMBL824294;CHEMBL822162;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:10633039;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;2000;1998;1998;2000;2000;2000,0,0,0,1,0,,=,  6.480;  6.570;  6.480;  6.670;  7.610;  7.610;  6.670;  6.570,6.832999999999999,0.45399999999999996,0.172,8.0,6.62,0.095
-BTCRVOSPHNKQGJ_on_P31644_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685337,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  6.480;  6.480,6.48,0.0,0.0,2.0,6.48,0.0
-BTCRVOSPHNKQGJ_on_P34903_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823761,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  6.570;  6.570,6.57,0.0,0.0,2.0,6.57,0.0
-BTCRVOSPHNKQGJ_on_P47869_WT,Low,ChEMBL30,CHEMBL83581,CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1,BTCRVOSPHNKQGJ,BTCRVOSPHNKQGJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O3/c1-4-8-23-13-6-7-16-14(10-13)18-15(12-22-3)19(24-9-5-2)20-11-17(18)21-16/h6-7,10-11,21H,4-5,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,20,15,2,19,6,7,3,18,24,22,13,5,23,12,8,10,11,16,21,9,14,4,17/rA:24CCCOCCCCNCCCCOCCOCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s17;s18;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  6.670;  6.670,6.67,0.0,0.0,2.0,6.67,0.0
-BTCSSZJGUNDROE_on_O00591_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334;CHEMBL3370250;CHEMBL681951;CHEMBL681949,PMID:7392039,1980.0,PMID:7392039;PMID:25038482;PMID:1331456;PMID:1331456,1980;2014;1992;1992,0;0;1;1,0,0,1;1;0;0,0,,=,  6.700;  7.480;  7.600;  5.840,6.905,0.705,0.40700000000000003,4.0,7.09,0.45
-BTCSSZJGUNDROE_on_O14764_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250;CHEMBL681334;CHEMBL681951;CHEMBL681949,PMID:7392039,1980.0,PMID:25038482;PMID:7392039;PMID:1331456;PMID:1331456,2014;1980;1992;1992,0;0;1;1,0,0,1;1;0;0,0,,=,  7.480;  6.700;  7.600;  5.840,6.905,0.705,0.40700000000000003,4.0,7.09,0.45
-BTCSSZJGUNDROE_on_P14867_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989;CHEMBL2317989;CHEMBL894099;CHEMBL681334;CHEMBL3370250;CHEMBL3370251;CHEMBL3619100;CHEMBL3370251;CHEMBL964519;CHEMBL2340052;CHEMBL678325;CHEMBL894099;CHEMBL2169248;CHEMBL4398029;CHEMBL4398029;CHEMBL681949;CHEMBL681951,PMID:7392039,1980.0,PMID:23294161;PMID:23294161;PMID:17655213;PMID:7392039;PMID:25038482;PMID:25038482;PMID:26410663;PMID:25038482;PMID:18528996;PMID:24900684;PMID:11412984;PMID:17655213;PMID:22029276;PMID:31117514;PMID:31117514;PMID:1331456;PMID:1331456,2013;2013;2007;1980;2014;2014;2015;2014;2008;2013;2001;2007;2011;2019;2019;1992;1992,0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;1,1;1;1;0;0;1;1;1;1;1;1;1;1;1;1;0;0,0,0;0;0;1;1;0;0;0;0;0;0;0;0;0;0;0;0,0,,=,  5.750;  5.750;  4.370;  6.700;  7.480;  5.750;  4.290;  5.750;  4.680;  4.780;  4.100;  4.370;  6.000;  5.420;  5.430;  5.840;  7.600,5.5329999999999995,1.016,0.254,17.0,5.75,0.95
-BTCSSZJGUNDROE_on_P18505_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P18505_WT,P18505,WT,CHEMBL894099;CHEMBL681334;CHEMBL3370250;CHEMBL681949;CHEMBL681951;CHEMBL894099;CHEMBL2169248;CHEMBL964519;CHEMBL2340052,PMID:7392039,1980.0,PMID:17655213;PMID:7392039;PMID:25038482;PMID:1331456;PMID:1331456;PMID:17655213;PMID:22029276;PMID:18528996;PMID:24900684,2007;1980;2014;1992;1992;2007;2011;2008;2013,0;0;0;1;1;0;0;0;0,1;0;0;0;0;1;1;1;1,0,0;1;1;0;0;0;0;0;0,0,,=,  4.370;  6.700;  7.480;  5.840;  7.600;  4.370;  6.000;  4.680;  4.780,5.757999999999999,1.215,0.43,9.0,5.84,1.16
-BTCSSZJGUNDROE_on_P18507_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682825;CHEMBL4398035;CHEMBL682715;CHEMBL894099;CHEMBL679474;CHEMBL678325;CHEMBL681334;CHEMBL894099;CHEMBL4398029;CHEMBL4398033;CHEMBL4398029;CHEMBL4398033;CHEMBL681094;CHEMBL682418;CHEMBL3370250;CHEMBL2317989;CHEMBL2318266;CHEMBL2318267;CHEMBL3370251;CHEMBL681949;CHEMBL681951;CHEMBL3370251;CHEMBL3370257;CHEMBL3370259;CHEMBL4398035;CHEMBL3370257;CHEMBL3619100;CHEMBL3370259;CHEMBL2318266;CHEMBL2318267;CHEMBL2317989,PMID:7392039,1980.0,PMID:11412984;PMID:31117514;PMID:11412984;PMID:17655213;PMID:11412984;PMID:11412984;PMID:7392039;PMID:17655213;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:11412984;PMID:11412984;PMID:25038482;PMID:23294161;PMID:23294161;PMID:23294161;PMID:25038482;PMID:1331456;PMID:1331456;PMID:25038482;PMID:25038482;PMID:25038482;PMID:31117514;PMID:25038482;PMID:26410663;PMID:25038482;PMID:23294161;PMID:23294161;PMID:23294161,2001;2019;2001;2007;2001;2001;1980;2007;2019;2019;2019;2019;2001;2001;2014;2013;2013;2013;2014;1992;1992;2014;2014;2014;2019;2014;2015;2014;2013;2013;2013,0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;1;0;0;0;0;0;0;0;0;0;0,1;1;1;1;1;1;0;1;1;1;1;1;1;1;0;1;1;1;1;0;0;1;1;1;1;1;1;1;1;1;1,0,0;0;0;0;0;0;1;0;0;0;0;0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,,=,  4.550;  6.630;  4.400;  4.370;  5.520;  4.100;  6.700;  4.370;  5.430;  5.430;  5.420;  5.430;  4.300;  5.820;  7.480;  5.750;  6.190;  6.040;  5.750;  5.840;  7.600;  5.750;  6.180;  6.040;  6.640;  6.190;  4.290;  6.040;  6.180;  6.040;  5.750,5.685,0.8859999999999999,0.162,31.0,5.75,0.43
-BTCSSZJGUNDROE_on_P28472_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951;CHEMBL681949;CHEMBL2169248;CHEMBL3370250;CHEMBL681334;CHEMBL679474;CHEMBL678325;CHEMBL682715;CHEMBL682825;CHEMBL681094;CHEMBL682418;CHEMBL2340052;CHEMBL964519;CHEMBL3807347;CHEMBL3807346,PMID:7392039,1980.0,PMID:1331456;PMID:1331456;PMID:22029276;PMID:25038482;PMID:7392039;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:24900684;PMID:18528996;DOI:10.1039/C5MD00442J;DOI:10.1039/C5MD00442J,1992;1992;2011;2014;1980;2001;2001;2001;2001;2001;2001;2013;2008;2016;2016,1;1;0;0;0;0;0;0;0;0;0;0;0;0;0,0;0;1;0;0;1;1;1;1;1;1;1;1;1;1,0,0;0;0;1;1;0;0;0;0;0;0;0;0;0;0,0,,=,  7.600;  5.840;  6.000;  7.480;  6.700;  5.520;  4.100;  4.400;  4.550;  4.300;  5.820;  4.780;  4.680;  5.470;  5.350,5.506,1.063,0.284,15.0,5.47,0.79
-BTCSSZJGUNDROE_on_P31644_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250;CHEMBL4398035;CHEMBL679474;CHEMBL681334;CHEMBL681949;CHEMBL681951;CHEMBL2169248;CHEMBL4398035;CHEMBL2340052;CHEMBL964519,PMID:7392039,1980.0,PMID:25038482;PMID:31117514;PMID:11412984;PMID:7392039;PMID:1331456;PMID:1331456;PMID:22029276;PMID:31117514;PMID:24900684;PMID:18528996,2014;2019;2001;1980;1992;1992;2011;2019;2013;2008,0;0;0;0;1;1;0;0;0;0,0;1;1;0;0;0;1;1;1;1,0,1;0;0;1;0;0;0;0;0;0,0,,=,  7.480;  6.630;  5.520;  6.700;  5.840;  7.600;  6.000;  6.640;  4.780;  4.680,6.187,0.958,0.319,10.0,6.315,0.635
-BTCSSZJGUNDROE_on_P34903_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250;CHEMBL3807347;CHEMBL3807346;CHEMBL681951;CHEMBL964519;CHEMBL3370259;CHEMBL681949;CHEMBL2340052;CHEMBL2318267;CHEMBL2318267;CHEMBL2169248;CHEMBL681334;CHEMBL682825;CHEMBL3370259,PMID:7392039,1980.0,PMID:25038482;DOI:10.1039/C5MD00442J;DOI:10.1039/C5MD00442J;PMID:1331456;PMID:18528996;PMID:25038482;PMID:1331456;PMID:24900684;PMID:23294161;PMID:23294161;PMID:22029276;PMID:7392039;PMID:11412984;PMID:25038482,2014;2016;2016;1992;2008;2014;1992;2013;2013;2013;2011;1980;2001;2014,0;0;0;1;0;0;1;0;0;0;0;0;0;0,0;1;1;0;1;1;0;1;1;1;1;0;1;1,0,1;0;0;0;0;0;0;0;0;0;0;1;0;0,0,,=,  7.480;  5.470;  5.350;  7.600;  4.680;  6.040;  5.840;  4.780;  6.040;  6.040;  6.000;  6.700;  4.550;  6.040,5.901,0.893,0.248,14.0,6.02,0.61
-BTCSSZJGUNDROE_on_P47869_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2318266;CHEMBL3370257;CHEMBL2318266;CHEMBL682715;CHEMBL681334;CHEMBL2340052;CHEMBL2169248;CHEMBL964519;CHEMBL681949;CHEMBL681951;CHEMBL3370257;CHEMBL3370250,PMID:7392039,1980.0,PMID:23294161;PMID:25038482;PMID:23294161;PMID:11412984;PMID:7392039;PMID:24900684;PMID:22029276;PMID:18528996;PMID:1331456;PMID:1331456;PMID:25038482;PMID:25038482,2013;2014;2013;2001;1980;2013;2011;2008;1992;1992;2014;2014,0;0;0;0;0;0;0;0;1;1;0;0,1;1;1;1;0;1;1;1;0;0;1;0,0,0;0;0;0;1;0;0;0;0;0;0;1,0,,=,  6.180;  6.190;  6.190;  4.400;  6.700;  4.780;  6.000;  4.680;  5.840;  7.600;  6.180;  7.480,6.018,0.966,0.29100000000000004,12.0,6.18,0.43
-BTCSSZJGUNDROE_on_P47870_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2318266;CHEMBL3370259;CHEMBL2318267;CHEMBL3370250;CHEMBL4398035;CHEMBL4398033;CHEMBL4398029;CHEMBL4398035;CHEMBL4398033;CHEMBL4398029;CHEMBL2318267;CHEMBL2318266;CHEMBL2317989;CHEMBL2317989;CHEMBL681949;CHEMBL681951;CHEMBL681334;CHEMBL3370251;CHEMBL3370257;CHEMBL2340052;CHEMBL3370257;CHEMBL3370251;CHEMBL964519;CHEMBL3619100;CHEMBL2169248;CHEMBL3370259,PMID:7392039,1980.0,PMID:23294161;PMID:25038482;PMID:23294161;PMID:25038482;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:1331456;PMID:1331456;PMID:7392039;PMID:25038482;PMID:25038482;PMID:24900684;PMID:25038482;PMID:25038482;PMID:18528996;PMID:26410663;PMID:22029276;PMID:25038482,2013;2014;2013;2014;2019;2019;2019;2019;2019;2019;2013;2013;2013;2013;1992;1992;1980;2014;2014;2013;2014;2014;2008;2015;2011;2014,0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;1;0;0;0;0;0;0;0;0;0;0,1;1;1;0;1;1;1;1;1;1;1;1;1;1;0;0;0;1;1;1;1;1;1;1;1;1,0,0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;1;0;0;0;0;0;0;0;0;0,0,,=,  6.180;  6.040;  6.040;  7.480;  6.640;  5.430;  5.430;  6.630;  5.430;  5.420;  6.040;  6.190;  5.750;  5.750;  5.840;  7.600;  6.700;  5.750;  6.190;  4.780;  6.180;  5.750;  4.680;  4.290;  6.000;  6.040,5.933,0.7290000000000001,0.146,26.0,6.02,0.27
-BTCSSZJGUNDROE_on_P48169_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P48169_WT,P48169,WT,CHEMBL2340052;CHEMBL681334;CHEMBL681094;CHEMBL2169248;CHEMBL964519;CHEMBL681949;CHEMBL681951;CHEMBL4398033;CHEMBL3370250;CHEMBL4398033,PMID:7392039,1980.0,PMID:24900684;PMID:7392039;PMID:11412984;PMID:22029276;PMID:18528996;PMID:1331456;PMID:1331456;PMID:31117514;PMID:25038482;PMID:31117514,2013;1980;2001;2011;2008;1992;1992;2019;2014;2019,0;0;0;0;0;1;1;0;0;0,1;0;1;1;1;0;0;1;0;1,0,0;1;0;0;0;0;0;0;1;0,0,,=,  4.780;  6.700;  4.300;  6.000;  4.680;  5.840;  7.600;  5.430;  7.480;  5.430,5.824,1.083,0.361,10.0,5.635,0.905
-BTCSSZJGUNDROE_on_P78334_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681334;CHEMBL681951;CHEMBL681949;CHEMBL3370250,PMID:7392039,1980.0,PMID:7392039;PMID:1331456;PMID:1331456;PMID:25038482,1980;1992;1992;2014,0;1;1;0,0,0,1;0;0;1,0,,=,  6.700;  7.600;  5.840;  7.480,6.905,0.705,0.40700000000000003,4.0,7.09,0.45
-BTCSSZJGUNDROE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681334;CHEMBL681951;CHEMBL3370250,PMID:7392039,1980.0,PMID:1331456;PMID:7392039;PMID:1331456;PMID:25038482,1992;1980;1992;2014,1;0;1;0,0,0,0;1;0;1,0,,=,  5.840;  6.700;  7.600;  7.480,6.905,0.705,0.40700000000000003,4.0,7.09,0.45
-BTCSSZJGUNDROE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334;CHEMBL681949;CHEMBL681951;CHEMBL3807347;CHEMBL3370250,PMID:7392039,1980.0,PMID:7392039;PMID:1331456;PMID:1331456;DOI:10.1039/C5MD00442J;PMID:25038482,1980;1992;1992;2016;2014,0;1;1;0;0,0;0;0;1;0,0,1;0;0;0;1,0,,=,  6.700;  5.840;  7.600;  5.470;  7.480,6.617999999999999,0.853,0.426,5.0,6.7,0.86
-BTCSSZJGUNDROE_on_Q16445_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418;CHEMBL3370250;CHEMBL2340052;CHEMBL2169248;CHEMBL681334;CHEMBL681949;CHEMBL964519;CHEMBL681951,PMID:7392039,1980.0,PMID:11412984;PMID:25038482;PMID:24900684;PMID:22029276;PMID:7392039;PMID:1331456;PMID:18528996;PMID:1331456,2001;2014;2013;2011;1980;1992;2008;1992,0;0;0;0;0;1;0;1,1;0;1;1;0;0;1;0,0,0;1;0;0;1;0;0;0,0,,=,  5.820;  7.480;  4.780;  6.000;  6.700;  5.840;  4.680;  7.600,6.1129999999999995,1.026,0.38799999999999996,8.0,5.92,0.96
-BTCSSZJGUNDROE_on_Q99928_WT,Low,ChEMBL30,CHEMBL96,NCCCC(=O)O,BTCSSZJGUNDROE,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)","""AuxInfo=1/1/N:3,4,2,5,1,6,7/E:(6,7)/rA:7NCCCCOO/rB:s1;s2;s3;s4;d5;s5;/rC:;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL3370250;CHEMBL681334;CHEMBL681951,PMID:7392039,1980.0,PMID:1331456;PMID:25038482;PMID:7392039;PMID:1331456,1992;2014;1980;1992,1;0;0;1,0,0,0;1;1;0,0,,=,  5.840;  7.480;  6.700;  7.600,6.905,0.705,0.40700000000000003,4.0,7.09,0.45
-BTESADIOSMFPBT_on_P14867_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677037;CHEMBL677034,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  6.600;  6.600,6.6,0.0,0.0,2.0,6.6,0.0
-BTESADIOSMFPBT_on_P18507_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682082;CHEMBL682709;CHEMBL680432;CHEMBL677034;CHEMBL680669;CHEMBL680435;CHEMBL677037;CHEMBL682712,PMID:15214791,2004.0,PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15084116,2004,0,0,0,1,0,,=,  8.510;  7.200;  7.400;  6.600;  8.510;  7.400;  6.600;  7.200,7.428,0.691,0.261,8.0,7.3,0.4
-BTESADIOSMFPBT_on_P28472_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680435;CHEMBL682709;CHEMBL677034;CHEMBL680432;CHEMBL680669;CHEMBL677037;CHEMBL682712;CHEMBL682082,PMID:15214791,2004.0,PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15084116,2004,0,0,0,1,0,,=,  7.400;  7.200;  6.600;  7.400;  8.510;  6.600;  7.200;  8.510,7.428,0.691,0.261,8.0,7.3,0.4
-BTESADIOSMFPBT_on_P31644_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL682082;CHEMBL680669,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  8.510;  8.510,8.51,0.0,0.0,2.0,8.51,0.0
-BTESADIOSMFPBT_on_P34903_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680435;CHEMBL680432,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-BTESADIOSMFPBT_on_P47869_WT,Low,ChEMBL30,CHEMBL62630,Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1,BTESADIOSMFPBT,BTESADIOSMFPBT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,14,7,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,15,8/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCOCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682712;CHEMBL682709,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  7.200;  7.200,7.2,0.0,0.0,2.0,7.2,0.0
-BTIRJCIECRIBOV_on_O15399_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_O60391_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_Q05586_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_Q12879_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_Q13224_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTIRJCIECRIBOV_on_Q14957_WT,Low,ChEMBL30,CHEMBL41180,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1,BTIRJCIECRIBOV,BTIRJCIECRIBOV-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-2-7(4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,20,18,15,10,7,14,16,8,4,13,5,11,2,17,9,6,3,12,1/rA:20OCNCCNCCClCCOCCCCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-BTLWEEGNXUJKKB_on_O00591_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_O14764_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_P14867_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P18505_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  8.220;  6.460,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P18507_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_P28472_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P31644_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  8.220;  6.460,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P34903_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P47869_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P47870_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P48169_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  8.220;  6.460,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_P78334_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTLWEEGNXUJKKB_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.460;  8.220,7.34,0.88,0.88,2.0,7.34,0.88
-BTLWEEGNXUJKKB_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427547,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1,BTLWEEGNXUJKKB,BTLWEEGNXUJKKB-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,25,26,8,9,30,29,5,12,4,13,24,32,21,19,7,6,11,10,31,16,27,22,17,2,14,23,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCNCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-BTNRRBHRYCSZMU_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023465,c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCCCC3)c4)cn2)cc1,BTNRRBHRYCSZMU,BTNRRBHRYCSZMU-UHFFFAOYSA-N,"InChI=1S/C26H28N4O/c1-3-8-22(9-4-1)30-20-21(19-28-30)24-12-13-27-26-18-23(10-11-25(24)26)31-17-7-16-29-14-5-2-6-15-29/h1,3-4,8-13,18-20H,2,5-7,14-17H2","""AuxInfo=1/0/N:1,24,2,31,23,25,19,3,30,15,14,9,10,22,26,20,18,27,28,6,7,4,16,8,13,12,11,29,21,5,17/E:(3,4)(5,6)(8,9)(14,15)/rA:31CCCCNCCCCCNCCCCCOCCCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s12d16;s7;s5d28;s4;s1d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BTNXCWBPIAGXEU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628083,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc[nH]1,BTNXCWBPIAGXEU,BTNXCWBPIAGXEU-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O3/c20-14-10-11(22-17(24)15-6-3-9-21-15)7-8-16(14)23-18(25)12-4-1-2-5-13(12)19(23)26/h1-10,21H,(H,22,24)","""AuxInfo=1/1/N:14,15,24,13,16,23,5,6,25,21,4,12,11,19,22,7,2,17,9,20,26,3,8,1,18,10/E:(1,2)(4,5)(12,13)(18,19)(25,26)/rA:26OCNCCCCNCOCCCCCCCOCClCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-BTOSCRNJIXJVPC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946344,NC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1,BTOSCRNJIXJVPC,BTOSCRNJIXJVPC-UHFFFAOYSA-N,"InChI=1S/C17H12F2N2O2/c18-17(19)23-11-7-5-10(6-8-11)13-9-15(16(20)22)21-14-4-2-1-3-12(13)14/h1-9,17H,(H2,20,22)","""AuxInfo=1/1/N:19,20,18,21,8,16,9,15,5,7,10,17,6,22,4,2,12,13,14,1,23,3,11/E:(5,6)(7,8)(18,19)/rA:23NCOCCCCCCCOCFFCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s11;s12;s12;s10;s7d15;d6;s17;d18;s19;d20;s17s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-BTRIKFDDZHPFMX_on_P41594_WT,Low,ChEMBL30,CHEMBL1951666,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1F,BTRIKFDDZHPFMX,BTRIKFDDZHPFMX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-22(2)14-6-8-21-18-16(14)12-7-9-23(19(24)17(12)26-18)11-4-5-15(25-3)13(20)10-11/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,4,19,9,20,8,24,6,10,25,15,3,14,11,13,22,26,21,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCCCCSCCCNCCCCNCOCCF/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-BTRIKFDDZHPFMX_on_Q13255_WT,High,ChEMBL30,CHEMBL1951666,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1F,BTRIKFDDZHPFMX,BTRIKFDDZHPFMX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-22(2)14-6-8-21-18-16(14)12-7-9-23(19(24)17(12)26-18)11-4-5-15(25-3)13(20)10-11/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,4,19,9,20,8,24,6,10,25,15,3,14,11,13,22,26,21,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCCCCSCCCNCCCCNCOCCF/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-BTWWYEWFVRYVGD_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2179310;57459655,CC(C)(C)c1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,BTWWYEWFVRYVGD,BTWWYEWFVRYVGD-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-22(2,3)21-25-24-20-18(15-23)19(11-14-27(20)21)26-12-9-17(10-13-26)16-7-5-4-6-8-16/h4-8,11,14,17H,9-10,12-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,15,23,25,14,24,26,10,17,16,9,12,8,5,2,11,7,6,13,27/E:(1,2,3)(5,6)(7,8)(9,10)(12,13)/rA:27CCCCCNNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;t10;d9;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;s12;d25;s5s8s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482;PubChemAID:711294,PMID:23072213,2012.0,PMID:23072213;PubChemAID:711294,2012;2013,0,1;0,0,0,0;1,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-BTZWZEOPAGNHAS_on_P41594_WT,High,ChEMBL30,CHEMBL3601902;CHEMBL3601903,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C(C)C)cn2)cn1,BTZWZEOPAGNHAS,BTZWZEOPAGNHAS-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:22,23,1,3,4,18,19,10,24,26,21,2,11,5,8,12,7,14,16,9,17,27,25,6,13,15,20/E:(1,2)/rA:27CCCCCNCCClCCCNCOCNCCSCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s21;s11;s7d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.120;  5.980,7.05,1.07,1.07,2.0,7.05,1.07
-BUBJHGRJCKENAV_on_P41594_WT,High,ChEMBL30,CHEMBL3314814,Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1,BUBJHGRJCKENAV,BUBJHGRJCKENAV-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-3-2-4-12(5-11)16(22)21-14-8-17-9-15(20-14)23-13-6-18-10-19-7-13/h2-10H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,3,5,23,17,21,11,13,19,2,6,16,10,14,7,12,18,20,22,9,8,15/E:(6,7)(18,19)/rA:23CCCCCCCONCCNCCOCCNCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  7.010;  6.980,6.995,0.015,0.015,2.0,6.995,0.015
-BUDXKAPMSFGASI_on_P41594_WT,High,ChEMBL30,CHEMBL3086711,COC(=O)N1CC2CC(O)(C#Cc3cc(C)ccc3)CC2C1,BUDXKAPMSFGASI,BUDXKAPMSFGASI-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-13-4-3-5-14(8-13)6-7-18(21)9-15-11-19(17(20)22-2)12-16(15)10-18/h3-5,8,15-16,21H,9-12H2,1-2H3","""AuxInfo=1/0/N:16,1,18,17,19,12,11,14,8,20,6,22,15,13,7,21,3,9,5,4,10,2/E:(9,10)(11,12)(15,16)/rA:22COCONCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s9;t11;s12;d13;s14;s15;d15;s17;s13d18;s9;s7s20;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-BUEVJEIIOFOGME_on_Q14416_WT,High,ChEMBL30,CHEMBL3945170,NC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1,BUEVJEIIOFOGME,BUEVJEIIOFOGME-UHFFFAOYSA-N,"InChI=1S/C16H11FN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20)","""AuxInfo=1/1/N:16,17,15,18,8,13,9,12,5,7,10,14,6,19,4,2,11,1,20,3/E:(5,6)(7,8)/rA:20NCOCCCCCCCFCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;d17;s14s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-BUEVJEIIOFOGME_on_Q14832_WT,Low,ChEMBL30,CHEMBL3945170,NC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1,BUEVJEIIOFOGME,BUEVJEIIOFOGME-UHFFFAOYSA-N,"InChI=1S/C16H11FN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20)","""AuxInfo=1/1/N:16,17,15,18,8,13,9,12,5,7,10,14,6,19,4,2,11,1,20,3/E:(5,6)(7,8)/rA:20NCOCCCCCCCFCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;d17;s14s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BUGHISOIHFLLOQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337507,CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O,BUGHISOIHFLLOQ,BUGHISOIHFLLOQ-UHFFFAOYSA-N,"InChI=1S/C22H28N4O/c1-18(2)8-10-26-11-9-21(20(16-23)22(26)27)25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-7,9,11,18H,8,10,12-15,17H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,4,8,5,7,12,21,11,22,24,14,2,15,23,9,26,25,13,10,6,27/E:(1,2)(4,5)(6,7)(12,13)(14,15)/rA:27CCCCCNCCCNCCNCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-BUGYDGFZZOZRHP_on_O15399_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030;CHEMBL3227349;CHEMBL4686913,PMID:9464369,1998.0,PMID:9464369;DOI:10.1039/C0MD00017E;PMID:32248004,1998;2010;2020,0,0,0,1,0,,=,  6.270;  5.920;  6.270,6.153,0.165,0.11699999999999999,3.0,6.27,0.0
-BUGYDGFZZOZRHP_on_O60391_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030;CHEMBL4686913;CHEMBL3227349,PMID:9464369,1998.0,PMID:9464369;PMID:32248004;DOI:10.1039/C0MD00017E,1998;2020;2010,0,0,0,1,0,,=,  6.270;  6.270;  5.920,6.153,0.165,0.11699999999999999,3.0,6.27,0.0
-BUGYDGFZZOZRHP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030;CHEMBL3227349;CHEMBL4686913,PMID:9464369,1998.0,PMID:9464369;DOI:10.1039/C0MD00017E;PMID:32248004,1998;2010;2020,0,0,0,1,0,,=,  6.270;  5.920;  6.270,6.153,0.165,0.11699999999999999,3.0,6.27,0.0
-BUGYDGFZZOZRHP_on_Q05586_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4686913;CHEMBL4307305;CHEMBL3608122;CHEMBL1105653;CHEMBL3608120;CHEMBL1105655;CHEMBL3227349;CHEMBL3242673;CHEMBL2399396;CHEMBL889737;CHEMBL889736;CHEMBL761030;CHEMBL982936;CHEMBL4361700,PMID:9464369,1998.0,PMID:32248004;PMID:31351393;PMID:26278660;PMID:20361801;PMID:26278660;PMID:20361801;DOI:10.1039/C0MD00017E;PMID:24630693;PMID:23692871;PMID:17624774;PMID:17624774;PMID:9464369;PMID:18605718;PMID:31301562,2020;2019;2015;2010;2015;2010;2010;2014;2013;2007;2007;1998;2008;2019,0;0;1;1;1;1;0;1;1;1;1;0;1;1,0,0,1;1;0;0;0;0;1;0;0;0;0;1;0;0,0,,=,  6.270;  6.000;  5.280;  5.250;  5.360;  5.260;  5.920;  5.360;  9.020;  5.990;  6.040;  6.270;  5.020;  5.640,5.906000000000001,0.9520000000000001,0.264,14.0,5.78,0.455
-BUGYDGFZZOZRHP_on_Q12879_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120;CHEMBL4361700;CHEMBL1105653;CHEMBL3242673;CHEMBL3227349;CHEMBL889736;CHEMBL761030;CHEMBL4686913;CHEMBL2399396,PMID:9464369,1998.0,PMID:26278660;PMID:31301562;PMID:20361801;PMID:24630693;DOI:10.1039/C0MD00017E;PMID:17624774;PMID:9464369;PMID:32248004;PMID:23692871,2015;2019;2010;2014;2010;2007;1998;2020;2013,1;1;1;1;0;1;0;0;1,0,0,0;0;0;0;1;0;1;1;0,0,,=,  5.360;  5.640;  5.250;  5.360;  5.920;  6.040;  6.270;  6.270;  9.020,6.126,1.087,0.384,9.0,5.92,0.35
-BUGYDGFZZOZRHP_on_Q13224_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737;CHEMBL3227349;CHEMBL1105655;CHEMBL3608122;CHEMBL4686913;CHEMBL4307305;CHEMBL761030;CHEMBL982936,PMID:9464369,1998.0,PMID:17624774;DOI:10.1039/C0MD00017E;PMID:20361801;PMID:26278660;PMID:32248004;PMID:31351393;PMID:9464369;PMID:18605718,2007;2010;2010;2015;2020;2019;1998;2008,1;0;1;1;0;0;0;1,0,0,0;1;0;0;1;1;1;0,0,,=,  5.990;  5.920;  5.260;  5.280;  6.270;  6.000;  6.270;  5.020,5.751,0.45899999999999996,0.17300000000000001,8.0,5.955,0.315
-BUGYDGFZZOZRHP_on_Q14957_WT,Low,ChEMBL30,CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,BUGYDGFZZOZRHP,BUGYDGFZZOZRHP-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3","""AuxInfo=1/0/N:1,7,3,5,12,8,13,9,4,2,6,10,11/E:(1,2)(3,4)(7,8)(10,11)/rA:13CCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s4s10;s2s10;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4686913;CHEMBL3227349;CHEMBL761030,PMID:9464369,1998.0,PMID:32248004;DOI:10.1039/C0MD00017E;PMID:9464369,2020;2010;1998,0,0,0,1,0,,=,  6.270;  5.920;  6.270,6.153,0.165,0.11699999999999999,3.0,6.27,0.0
-BUIOHRKCCSCORH_on_P41594_WT,High,ChEMBL30,CHEMBL2440625,O=C(Nc1cccc(Cl)n1)c1cc(Cl)cc(Oc2cncnc2)c1,BUIOHRKCCSCORH,BUIOHRKCCSCORH-UHFFFAOYSA-N,"InChI=1S/C16H10Cl2N4O2/c17-11-4-10(16(23)22-15-3-1-2-14(18)21-15)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,22,23)","""AuxInfo=1/1/N:6,7,5,12,24,15,19,23,21,11,13,16,18,8,4,2,14,9,20,22,10,3,1,17/E:(7,8)(19,20)/rA:24OCNCCCCCClNCCCClCCOCCNCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s4d8;s2;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-BULOMLIWEVCBPE_on_P14867_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-BULOMLIWEVCBPE_on_P18507_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680432;CHEMBL682709;CHEMBL680669;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.660;  7.180;  8.400;  6.940,7.545,0.5579999999999999,0.322,4.0,7.42,0.36
-BULOMLIWEVCBPE_on_P28472_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL680669;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.940;  8.400;  7.180;  7.660,7.545,0.5579999999999999,0.322,4.0,7.42,0.36
-BULOMLIWEVCBPE_on_P31644_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-BULOMLIWEVCBPE_on_P34903_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-BULOMLIWEVCBPE_on_P47869_WT,Low,ChEMBL30,CHEMBL331907,Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1,BULOMLIWEVCBPE,BULOMLIWEVCBPE-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,8,17/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCSNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-BUMBJLLNFQQQKG_on_O15399_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_O60391_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMBJLLNFQQQKG_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193582,N=C(NC1CC2CCC1C2)NC1CC2CCC1C2,BUMBJLLNFQQQKG,BUMBJLLNFQQQKG-UHFFFAOYSA-N,"InChI=1S/C15H25N3/c16-15(17-13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H3,16,17,18)","""AuxInfo=1/1/N:7,15,8,16,10,18,5,13,6,14,9,17,4,12,2,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s6s9;s2;s11;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-BUMZPTZNZAAEKI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3923616,c1cc2n[nH]c(NCC3CCCCC3)c2nc1,BUMZPTZNZAAEKI,BUMZPTZNZAAEKI-UHFFFAOYSA-N,"InChI=1S/C13H18N4/c1-2-5-10(6-3-1)9-15-13-12-11(16-17-13)7-4-8-14-12/h4,7-8,10H,1-3,5-6,9H2,(H2,15,16,17)","""AuxInfo=1/1/N:12,11,13,1,10,14,2,17,8,9,3,15,6,16,7,4,5/E:(2,3)(5,6)/rA:17CCCNNCNCCCCCCCCNC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s3d6;s15;s1d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-BUOIEXGQMZYJLG_on_Q14833_WT,High,ChEMBL30,CHEMBL3609735,COc1c(F)ccc(NC(=O)c2nc(F)ccc2)c1,BUOIEXGQMZYJLG,BUOIEXGQMZYJLG-UHFFFAOYSA-N,"InChI=1S/C13H10F2N2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)","""AuxInfo=1/1/N:1,17,18,16,7,6,19,8,4,12,3,14,10,5,15,9,13,11,2/rA:19COCCFCCCNCOCNCFCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-BUXIFKWPTDKUGN_on_Q05586_WT,Low,ChEMBL30,CHEMBL159790,N=C(NCc1cc(Cl)ccc1)c1cc2c(cccc2)cc1,BUXIFKWPTDKUGN,BUXIFKWPTDKUGN-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2/c19-17-7-3-4-13(10-17)12-21-18(20)16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12H2,(H2,20,21)","""AuxInfo=1/1/N:17,18,10,11,16,19,9,20,21,6,13,4,5,15,14,12,7,2,8,1,3/rA:21NCNCCCCClCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;d16;s17;s14d18;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-BUXIFKWPTDKUGN_on_Q13224_WT,Low,ChEMBL30,CHEMBL159790,N=C(NCc1cc(Cl)ccc1)c1cc2c(cccc2)cc1,BUXIFKWPTDKUGN,BUXIFKWPTDKUGN-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2/c19-17-7-3-4-13(10-17)12-21-18(20)16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12H2,(H2,20,21)","""AuxInfo=1/1/N:17,18,10,11,16,19,9,20,21,6,13,4,5,15,14,12,7,2,8,1,3/rA:21NCNCCCCClCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;d16;s17;s14d18;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-BUZMMBYLVHOGEV_on_P41594_WT,Low,ChEMBL30,CHEMBL3087222,COC(=O)N1C2CCC1CC(O)(C#Cc1cn3ccccc3n1)C2,BUZMMBYLVHOGEV,BUZMMBYLVHOGEV-UHFFFAOYSA-N,"InChI=1S/C18H19N3O3/c1-24-17(22)21-14-5-6-15(21)11-18(23,10-14)8-7-13-12-20-9-3-2-4-16(20)19-13/h2-4,9,12,14-15,23H,5-6,10-11H2,1H3","""AuxInfo=1/0/N:1,20,19,21,7,8,14,13,18,24,10,16,15,6,9,22,3,11,23,17,5,4,12,2/E:(5,6)(10,11)(14,15)/rA:24COCONCCCCCCOCCCCNCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;s17;d18;s19;d20;s17s21;s15d22;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BVAMZHHKIKEBGK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL178683;11171896,Cc1cncc(C(=O)Nc2ncccc2)n1,BVAMZHHKIKEBGK,BVAMZHHKIKEBGK-UHFFFAOYSA-N,"InChI=1S/C11H10N4O/c1-8-6-12-7-9(14-8)11(16)15-10-4-2-3-5-13-10/h2-7H,1H3,(H,13,15,16)","""AuxInfo=1/1/N:1,14,13,15,12,3,5,2,6,10,7,4,11,16,9,8/rA:16CCCNCCCONCNCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  6.780;  6.783,6.782,0.002,0.002,2.0,6.782,0.002
-BVCPTVYTUVHPES_on_Q14416_WT,High,ChEMBL30,CHEMBL3981882,Fc1cccc(F)c1N1CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1,BVCPTVYTUVHPES,BVCPTVYTUVHPES-UHFFFAOYSA-N,"InChI=1S/C22H22F5N5/c23-16-2-1-3-17(24)20(16)31-10-8-30(9-11-31)13-15-6-7-32-18(12-14-4-5-14)28-29-21(32)19(15)22(25,26)27/h1-3,6-7,14H,4-5,8-13H2","""AuxInfo=1/0/N:4,3,5,26,27,30,29,11,31,10,32,24,13,25,14,2,6,23,15,8,20,16,1,7,17,18,19,22,21,12,9,28/E:(2,3)(4,5)(8,9)(10,11)(16,17)(23,24)(25,26,27)/rA:32FCCCCCFCNCCNCCCCFFFCNNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;s10;s11;s12;s13;d14;s15;s16;s16;s16;s15;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s14d29;s12;s9s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-BVEWFTIBKOIQJC_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,49858116;CHEMBL1630804,O=C(Nc1ccc(F)cc1)C12CC1C(=NO)c1c(cccc1)O2,BVEWFTIBKOIQJC,BVEWFTIBKOIQJC-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)","""AuxInfo=1/1/N:21,20,22,19,6,9,5,10,12,7,4,17,13,18,14,2,11,8,3,15,1,16,23/E:(5,6)(7,8)/rA:23OCNCCCCFCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s11s12;s13;w?14;s15;s14;d17;s18;d19;s20;s17d21;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:549361;CHEMBL1632947,PMID:21105727,2010.0,PubChemAID:549361;PMID:21105727,2011;2010,0,0,0,0;1,1;0,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-BVFJTUGLGFIJID_on_P31644_WT,High,ChEMBL30,CHEMBL3681428,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccc(Cl)cc2)no1,BVFJTUGLGFIJID,BVFJTUGLGFIJID-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O4/c1-14-18(20(24-29-14)15-2-5-17(22)6-3-15)13-28-19-7-4-16(12-23-19)21(26)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,22,27,8,23,26,7,13,17,14,16,18,4,2,21,9,24,3,6,20,10,25,19,28,12,11,15,5,29/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCOCCCCCONCCOCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-BVODWZUKDLKFLR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109993,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CO)c3)n2)ccn1,BVODWZUKDLKFLR,BVODWZUKDLKFLR-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O3/c1-13-9-15(5-7-26-13)20-18-6-8-30-14(2)11-28(18)21(27-20)16-3-4-19(17(10-16)12-29)31-22(23,24)25/h3-5,7,9-10,14,29H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,29,7,30,8,3,27,12,25,2,10,4,15,24,6,18,5,14,20,21,22,23,31,28,13,26,9,19/E:(23,24,25)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCCOCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s25;s15d24;s5d14;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BVQCYNKNLJULEW_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1094462;44155986,CCCCCCC1CN(c2ccc(C(=O)OC)cc2)C(=O)O1,BVQCYNKNLJULEW,BVQCYNKNLJULEW-UHFFFAOYSA-N,"InChI=1S/C17H23NO4/c1-3-4-5-6-7-15-12-18(17(20)22-15)14-10-8-13(9-11-14)16(19)21-2/h8-11,15H,3-7,12H2,1-2H3","""AuxInfo=1/0/N:1,17,2,3,4,5,6,12,18,11,19,8,13,10,7,14,20,9,15,21,16,22/E:(8,9)(10,11)/rA:22CCCCCCCCNCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s14;s16;s13;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.910;  5.914,5.912000000000001,0.002,0.002,2.0,5.912000000000001,0.002
-BVURCENMQQMGOC_on_Q13255_WT,High,ChEMBL30,CHEMBL3787296,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)ncs1,BVURCENMQQMGOC,BVURCENMQQMGOC-UHFFFAOYSA-N,"InChI=1S/C19H13Cl2N3O2S/c1-10-17(22-9-27-10)18(25)23-12-5-6-15(14(21)7-12)24-8-11-3-2-4-13(20)16(11)19(24)26/h2-7,9H,8H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,24,23,8,13,26,2,14,7,18,9,11,15,3,4,16,19,10,25,6,12,5,17,27/rA:27CCCCONCCCClCNCCCCOCClCCCCCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s12s15;d16;s15;s18;d18;s20;s14d21;s11;s7d23;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.320;  5.330,5.325,0.005,0.005,2.0,5.325,0.005
-BVVFBBXWFCHQKF_on_P41594_WT,High,ChEMBL30,CHEMBL3963982,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cccc(Cl)c2)O1,BVVFBBXWFCHQKF,BVVFBBXWFCHQKF-UHFFFAOYSA-N,"InChI=1S/C20H15ClF2N2O2/c21-16-3-1-2-14(7-16)18-17(25-19(26)27-18)15-6-12(10-24-11-15)4-5-13-8-20(22,23)9-13/h1-3,6-7,10-11,13,17-18H,8-9H2,(H,25,26)","""AuxInfo=1/1/N:22,21,23,8,9,6,26,11,15,16,18,7,10,20,5,24,4,19,2,12,25,13,14,17,3,1,27/E:(8,9)(22,23)/rA:27OCNCCCCCCCCCFFCCNCCCCCCCClCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;d22;s23;s24;s20d24;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  7.520;  7.180,7.35,0.17,0.17,2.0,7.35,0.17
-BWCMNAKNXPLVSN_on_Q14416_WT,High,ChEMBL30,CHEMBL3765412,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1S(C)(=O)=O)cc2,BWCMNAKNXPLVSN,BWCMNAKNXPLVSN-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3S/c1-19(2,3)12-22-15-11-10-14(20-17(15)21(4)18(22)23)13-8-6-7-9-16(13)26(5,24)25/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:8,9,10,1,22,17,18,16,19,25,26,6,15,14,11,20,12,3,7,13,2,5,4,23,24,21/E:(1,2,3)(24,25)/CRV:26.6/rA:26CNCONCCCCCCCNCCCCCCCSCOOCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s20;s21;d21;d21;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-BWFJDYBOESTXGX_on_Q14833_WT,High,ChEMBL30,CHEMBL4061970,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(NC1CCN(c3ccncn3)CC1)cc2,BWFJDYBOESTXGX,BWFJDYBOESTXGX-UHFFFAOYSA-N,"InChI=1S/C25H22N6O2S/c32-30-20-12-23(21-13-24-16(14-27-21)6-10-34-24)33-22-2-1-18(11-19(20)22)29-17-4-8-31(9-5-17)25-3-7-26-15-28-25/h1-3,6-7,10-15,17,29,32H,4-5,8-9H2","""AuxInfo=1/0/N:33,34,26,22,32,10,27,23,31,11,18,4,14,8,29,9,21,19,17,3,6,16,5,13,25,28,7,30,20,2,24,1,15,12/E:(4,5)(8,9)/rA:34ONCCCCNCCCCSCCOCCCCNCCCNCCCNCNCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s24;s21s31;s19;s16d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-BWIGAKMTCNFCFE_on_O15399_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_O60391_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_Q05586_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_Q12879_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_Q13224_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWIGAKMTCNFCFE_on_Q14957_WT,Low,ChEMBL30,CHEMBL299294,OCCNc1ccnc(N2CCc3c(cccc3)C2)c1,BWIGAKMTCNFCFE,BWIGAKMTCNFCFE-UHFFFAOYSA-N,"InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,6,12,7,3,11,2,20,19,13,14,5,9,4,8,10,1/rA:20OCCNCCCNCNCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-BWMLEHOGRQOGBL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087214;72545304,COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(F)c1)C2,BWMLEHOGRQOGBL,BWMLEHOGRQOGBL-UHFFFAOYSA-N,"InChI=1S/C17H18FNO3/c1-22-16(20)19-14-5-6-15(19)11-17(21,10-14)8-7-12-3-2-4-13(18)9-12/h2-4,9,14-15,21H,5-6,10-11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,7,8,14,13,21,22,10,15,19,6,9,3,11,20,5,4,12,2/E:(5,6)(10,11)(14,15)/rA:22COCONCCCCCCOCCCCCCCFCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  7.210;  7.213,7.212000000000001,0.002,0.002,2.0,7.212000000000001,0.002
-BWNJRBUSCRVUHW_on_Q14416_WT,Low,ChEMBL30,CHEMBL3883487,Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12,BWNJRBUSCRVUHW,BWNJRBUSCRVUHW-UHFFFAOYSA-N,"InChI=1S/C16H15ClN4O/c17-15-13(22-10-12-2-1-6-18-9-12)5-7-21-14(8-11-3-4-11)19-20-16(15)21/h1-2,5-7,9,11H,3-4,8,10H2","""AuxInfo=1/0/N:8,7,18,19,12,9,13,16,11,5,17,6,3,15,2,22,1,10,20,21,14,4/E:(3,4)/rA:22ClCCOCCCCCNCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s3;d12;s13;s14;s15;s16;s17;s17s18;d15;s20;s2s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-BWNVQFRAUGEVNU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3925389,COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1,BWNVQFRAUGEVNU,BWNVQFRAUGEVNU-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24/h2-7,9-11H,8H2,1H3,(H2,25,29)","""AuxInfo=1/1/N:1,14,19,9,15,18,10,7,20,5,29,6,13,8,16,11,12,21,27,26,22,3,17,28,23,4,30,25,24,2/E:(2,3)(5,6)(10,11)(26,27)/rA:30COCNCCCCCCCCCCCCFCCCCCNONCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-BWRXTGUNILQFCM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580020;CHEMBL2349546,Cc1nc(NC(=O)c2nn(C)c(C3CCCCC3)c2C)ccc1,BWRXTGUNILQFCM,BWRXTGUNILQFCM-UHFFFAOYSA-N,"InChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23)","""AuxInfo=1/1/N:1,20,11,16,15,17,22,23,14,18,21,2,19,13,4,8,12,6,3,5,9,10,7/E:(5,6)(9,10)/rA:23CCNCNCOCNNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;s13;s14;s15;s16;s13s17;s8d12;s19;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.602;  7.600,7.601,0.001,0.001,2.0,7.601,0.001
-BWTDMGDNYYGBNJ_on_O00222_WT,Low,ChEMBL30,CHEMBL4082270,NC(CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O,BWTDMGDNYYGBNJ,BWTDMGDNYYGBNJ-UHFFFAOYSA-N,"InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)","""AuxInfo=1/1/N:11,12,3,15,19,16,18,4,24,10,2,13,20,25,8,1,14,21,26,27,9,22,23,6,7,17,5/E:(4,5)(6,7)(19,20)(22,23)(24,25)/CRV:18.5/rA:27NCCCPOOCOCCCCNCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;s14s18;s13;s20;d21;s21;s10d20;s2;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BWTDMGDNYYGBNJ_on_O15303_WT,Low,ChEMBL30,CHEMBL4082270,NC(CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O,BWTDMGDNYYGBNJ,BWTDMGDNYYGBNJ-UHFFFAOYSA-N,"InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)","""AuxInfo=1/1/N:11,12,3,15,19,16,18,4,24,10,2,13,20,25,8,1,14,21,26,27,9,22,23,6,7,17,5/E:(4,5)(6,7)(19,20)(22,23)(24,25)/CRV:18.5/rA:27NCCCPOOCOCCCCNCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;s14s18;s13;s20;d21;s21;s10d20;s2;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BWTDMGDNYYGBNJ_on_Q14831_WT,Low,ChEMBL30,CHEMBL4082270,NC(CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O,BWTDMGDNYYGBNJ,BWTDMGDNYYGBNJ-UHFFFAOYSA-N,"InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)","""AuxInfo=1/1/N:11,12,3,15,19,16,18,4,24,10,2,13,20,25,8,1,14,21,26,27,9,22,23,6,7,17,5/E:(4,5)(6,7)(19,20)(22,23)(24,25)/CRV:18.5/rA:27NCCCPOOCOCCCCNCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;s14s18;s13;s20;d21;s21;s10d20;s2;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BWTDMGDNYYGBNJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL4082270,NC(CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O,BWTDMGDNYYGBNJ,BWTDMGDNYYGBNJ-UHFFFAOYSA-N,"InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)","""AuxInfo=1/1/N:11,12,3,15,19,16,18,4,24,10,2,13,20,25,8,1,14,21,26,27,9,22,23,6,7,17,5/E:(4,5)(6,7)(19,20)(22,23)(24,25)/CRV:18.5/rA:27NCCCPOOCOCCCCNCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;s14s18;s13;s20;d21;s21;s10d20;s2;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.618,3.6180000000000003,0.0,0.0,1.0,3.6180000000000003,0.0
-BWWQXKSOWUMHAQ_on_P14867_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1648949,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-BWWQXKSOWUMHAQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1648948;CHEMBL1648947;CHEMBL1648951;CHEMBL1648949,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.360;  8.640;  8.040;  9.170,8.552,0.415,0.24,4.0,8.5,0.3
-BWWQXKSOWUMHAQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1648947;CHEMBL1648951;CHEMBL1648949;CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.640;  8.040;  9.170;  8.360,8.552999999999999,0.415,0.24,4.0,8.5,0.3
-BWWQXKSOWUMHAQ_on_P31644_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1648951,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-BWWQXKSOWUMHAQ_on_P34903_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-BWWQXKSOWUMHAQ_on_P47869_WT,Low,ChEMBL30,CHEMBL1644828,Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1,BWWQXKSOWUMHAQ,BWWQXKSOWUMHAQ-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,18,17,3,30,14,15,12,4,29,11,19,22,21,2,13,16,5,9,10,8,24,27,20,23,7,26,6,25,28/E:(4,5)(9,10)/rA:30CCCCCNNCCCCCCCCCCCCNCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-BWXIPDFABPPPPW_on_P41594_WT,High,ChEMBL30,CHEMBL2365134,CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,BWXIPDFABPPPPW,BWXIPDFABPPPPW-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29)","""AuxInfo=1/1/N:1,14,23,2,29,30,28,27,26,12,19,21,13,18,20,3,11,25,5,6,17,9,7,4,8,24,16,22,10,15/rA:30CCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-BWXIPDFABPPPPW_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2365134;67103334,CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,BWXIPDFABPPPPW,BWXIPDFABPPPPW-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29)","""AuxInfo=1/1/N:1,14,23,2,29,30,28,27,26,12,19,21,13,18,20,3,11,25,5,6,17,9,7,4,8,24,16,22,10,15/rA:30CCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545;PubChemAID:733653,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733653,2013,1;0,0,0,0,0;1,,=,  6.550;  6.554,6.5520000000000005,0.002,0.002,2.0,6.5520000000000005,0.002
-BXAKGDOWQZLGRA_on_Q14416_WT,Low,ChEMBL30,CHEMBL1097379,CC(C)c1ccccc1OCC1CN(c2ccccc2)C(=O)O1,BXAKGDOWQZLGRA,BXAKGDOWQZLGRA-UHFFFAOYSA-N,"InChI=1S/C19H21NO3/c1-14(2)17-10-6-7-11-18(17)22-13-16-12-20(19(21)23-16)15-8-4-3-5-9-15/h3-11,14,16H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,6,7,16,20,5,8,13,11,2,15,12,4,9,21,14,22,10,23/E:(1,2)(4,5)(8,9)/rA:23CCCCCCCCCOCCCNCCCCCCCOO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-BXCQZSGOHLPFBD_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70683517;CHEMBL2023470,c1ccc(-n2cc(-c3ccnc4c3ccc(OCCN3CCOCC3)c4)cn2)cc1,BXCQZSGOHLPFBD,BXCQZSGOHLPFBD-UHFFFAOYSA-N,"InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)28-18-19(17-26-28)22-8-9-25-24-16-21(6-7-23(22)24)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2","""AuxInfo=1/0/N:1,2,30,3,29,15,14,9,10,21,25,19,22,24,18,26,27,6,7,4,16,8,13,12,11,28,20,5,23,17/E:(2,3)(4,5)(10,11)(13,14)/rA:30CCCCNCCCCCNCCCCCOCCNCCOCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s12d16;s7;s5d27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-BXCSFHHEMVAIFH_on_Q14833_WT,High,ChEMBL30,CHEMBL1727966,O=C(Nc1cc(Cl)c(N2C(=O)c3c(cccc3)C2=O)cc1)c1ncccc1,BXCSFHHEMVAIFH,BXCSFHHEMVAIFH-UHFFFAOYSA-N,"InChI=1S/C20H12ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h1-11H,(H,23,25)","""AuxInfo=1/1/N:15,16,26,25,14,17,27,21,20,24,5,4,13,12,6,22,8,2,18,10,7,23,3,9,1,19,11/E:(1,2)(5,6)(13,14)(19,20)(26,27)/rA:27OCNCCCClCNCOCCCCCCCOCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;d18;s8;s4d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PubChemAID:2197,2009.0,PMID:21966889,2011,0,1,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-BXDBIBWQAOOKSS_on_Q14416_WT,High,ChEMBL30,CHEMBL4081244;CHEMBL4100691;CHEMBL4100691;CHEMBL4081244;CHEMBL4081244;CHEMBL4100691,OC1CCC(Oc2c(Cl)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)CC1,BXDBIBWQAOOKSS,BXDBIBWQAOOKSS-UHFFFAOYSA-N,"InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2","""AuxInfo=1/0/N:27,3,30,4,29,28,26,25,10,19,11,2,5,12,8,7,18,13,15,20,9,14,21,22,23,17,16,24,1,6/E:(2,3)(4,5)(23,24,25)/rA:30OCCCCOCCClCCCCClCNNCCCFFFNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;d15;s16;d17;s18;s19;s20;s20;s20;s15s18;s24;s12d25;s11;s7d27;s5;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040508;CHEMBL4040507;CHEMBL4040507;CHEMBL4040510;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;1;0;0;0;0,0;0;1;1;0;0,0;0;0;0;1;1,0,,=,  6.800;  7.010;  8.090;  7.780;  7.940;  7.490,7.518,0.474,0.212,6.0,7.635,0.38
-BXFCUYMBRDOZDY_on_Q14416_WT,High,ChEMBL30,CHEMBL2029792,COc1c(OC)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1,BXFCUYMBRDOZDY,BXFCUYMBRDOZDY-UHFFFAOYSA-N,"InChI=1S/C19H22N2O3/c1-13(2)7-9-21-10-8-15(16(12-20)19(21)22)14-5-6-17(23-3)18(11-14)24-4/h5-6,8,10-11,13H,7,9H2,1-4H3","""AuxInfo=1/0/N:19,20,1,6,23,24,17,22,16,21,7,11,18,8,9,10,3,4,13,12,15,14,2,5/E:(1,2)/rA:24COCCOCCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;t11;s10;d13;s13;s15;s16;s17;s18;s18;s15;s9d21;s8;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-BXGCHUBYXYXAEL_on_P31644_WT,High,ChEMBL30,CHEMBL3676504,Cc1c(COc2ccc(C(=O)N3CCC(F)(F)CC3)cn2)c(-c2ccccc2)no1,BXGCHUBYXYXAEL,BXGCHUBYXYXAEL-UHFFFAOYSA-N,"InChI=1S/C22H21F2N3O3/c1-15-18(20(26-30-15)16-5-3-2-4-6-16)14-29-19-8-7-17(13-25-19)21(28)27-11-9-22(23,24)10-12-27/h2-8,13H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,28,8,7,14,18,13,19,20,4,2,23,9,3,6,22,10,15,16,17,21,29,12,11,5,30/E:(3,4)(5,6)(9,10)(11,12)(23,24)/rA:30CCCCOCCCCCONCCCFFCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-BXGSBHHIBBVDRP_on_P31644_WT,High,ChEMBL30,CHEMBL3681568,COC(=O)c1ccc(OCc2c(C)onc2-c2ccccn2)nc1,BXGSBHHIBBVDRP,BXGSBHHIBBVDRP-UHFFFAOYSA-N,"InChI=1S/C17H15N3O4/c1-11-13(16(20-24-11)14-5-3-4-8-18-14)10-23-15-7-6-12(9-19-15)17(21)22-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,19,20,18,6,7,21,24,10,12,5,11,17,8,16,3,22,23,15,4,2,9,14/rA:24COCOCCCCOCCCCONCCCCCCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-BXHGTUDBHYIGCP_on_Q14833_WT,High,ChEMBL30,CHEMBL4247139,Cn1nc(C2(C)CC2)c2c1cc(Nc1c3nccnc3n[nH]1)cc2,BXHGTUDBHYIGCP,BXHGTUDBHYIGCP-UHFFFAOYSA-N,"InChI=1S/C17H17N7/c1-17(5-6-17)14-11-4-3-10(9-12(11)24(2)23-14)20-16-13-15(21-22-16)19-8-7-18-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,20,21,22)","""AuxInfo=1/1/N:6,1,23,24,7,8,17,18,11,12,9,10,15,4,20,14,5,16,19,13,21,22,3,2/E:(5,6)/rA:24CNNCCCCCCCCCNCCNCCNCNNCC/rB:s1;s2;d3;s4;s5;s5;s5s7;s4;s2d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-BXIUXCNGUNCOFW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL183608;44393041,Cc1nc(C#Cc2ccccc2-c2ccccc2)cs1,BXIUXCNGUNCOFW,BXIUXCNGUNCOFW-UHFFFAOYSA-N,"InChI=1S/C18H13NS/c1-14-19-17(13-20-14)12-11-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,13H,1H3","""AuxInfo=1/0/N:1,16,15,17,9,10,14,18,8,11,6,5,19,2,13,7,4,12,3,20/E:(3,4)(7,8)/rA:20CCNCCCCCCCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431;PubChemAID:242195,PMID:15225713,2004.0,PMID:15225713;PubChemAID:242195,2004;2010,1;0,0,0,0,0;1,,=,  6.370;  6.374,6.372000000000001,0.002,0.002,2.0,6.372000000000001,0.002
-BXIWLGFZMVSNKL_on_Q13255_WT,High,ChEMBL30,CHEMBL3785252,Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3=O)cc2)occ1,BXIWLGFZMVSNKL,BXIWLGFZMVSNKL-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O3/c1-13-9-11-27-19(13)20(25)23-15-6-7-18(17(22)12-15)24-10-8-14-4-2-3-5-16(14)21(24)26/h2-7,9,11-12H,8,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,18,20,17,24,23,14,27,13,26,8,2,15,7,16,9,11,3,4,21,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.110;  6.110,6.11,0.0,0.0,2.0,6.11,0.0
-BXKBSYPXFFPMHD_on_P31644_WT,High,ChEMBL30,CHEMBL3681606,O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,BXKBSYPXFFPMHD,BXKBSYPXFFPMHD-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3/c20-15-4-1-12(2-5-15)18-14(11-26-23-18)10-25-17-8-3-13(9-21-17)19(24)22-16-6-7-16/h1-5,8-9,11,16H,6-7,10H2,(H,22,24)","""AuxInfo=1/1/N:19,24,8,20,23,5,6,9,26,12,14,18,7,13,21,4,10,17,2,22,25,3,16,1,11,15/E:(1,2)(4,5)(6,7)/rA:26OCNCCCCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-BXKSCEUJEPDZBI_on_O00591_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_O14764_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P14867_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P18505_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P18507_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P28472_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P31644_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P34903_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P47869_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P47870_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P48169_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_P78334_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_Q16445_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXKSCEUJEPDZBI_on_Q99928_WT,Low,ChEMBL30,CHEMBL93325,Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1,BXKSCEUJEPDZBI,BXKSCEUJEPDZBI-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-BXLXHSYIIZXMMZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3955420,CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,BXLXHSYIIZXMMZ,BXLXHSYIIZXMMZ-UHFFFAOYSA-N,"InChI=1S/C17H15ClF3N5O2/c1-3-22-16(28)15-9(2)4-5-13-23-10(6-14(27)26(13)15)8-25-12(18)7-11(24-25)17(19,20)21/h4-7H,3,8H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,8,2,9,10,25,22,14,7,13,17,23,11,26,6,4,18,24,19,20,21,3,12,16,15,28,27,5/E:(19,20,21)/rA:28CCNCOCCCCCCNCCNNCCFFFCCClCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-BXLXHSYIIZXMMZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3955420,CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,BXLXHSYIIZXMMZ,BXLXHSYIIZXMMZ-UHFFFAOYSA-N,"InChI=1S/C17H15ClF3N5O2/c1-3-22-16(28)15-9(2)4-5-13-23-10(6-14(27)26(13)15)8-25-12(18)7-11(24-25)17(19,20)21/h4-7H,3,8H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,8,2,9,10,25,22,14,7,13,17,23,11,26,6,4,18,24,19,20,21,3,12,16,15,28,27,5/E:(19,20,21)/rA:28CCNCOCCCCCCNCCNNCCFFFCCClCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-BXNDDKWLAKOWLY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3969392,Cc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(F)c1,BXNDDKWLAKOWLY,BXNDDKWLAKOWLY-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O/c1-10-6-7-11(14(18)8-10)13-9-16(17(19)21)20-15-5-3-2-4-12(13)15/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,16,17,15,18,3,4,21,7,2,5,14,6,19,13,8,9,20,10,12,11/rA:21CCCCCCCCCNONCCCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s13d17;s5;s19;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-BXPQGUJZXGETOK_on_P41594_WT,High,ChEMBL30,CHEMBL3891001,COc1c(Cl)ccc(-c2c3c(C4CC4)c(C#N)c(-c4ccccc4)nc3n[nH]2)c1,BXPQGUJZXGETOK,BXPQGUJZXGETOK-UHFFFAOYSA-N,"InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)","""AuxInfo=1/1/N:1,22,21,23,20,24,13,14,7,6,29,16,12,19,8,15,4,3,11,10,18,9,26,5,17,25,28,27,2/E:(3,4)(5,6)(7,8)/rA:29COCCClCCCCCCCCCCCNCCCCCCCNCNNC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s10;s11;s12;s12s13;d11;s15;t16;s15;s18;d19;s20;d21;s22;s19d23;d18;s10s25;d26;s9s27;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865452;CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,1;0,0;1,0,0,0,,=,  7.110;  6.960,7.035,0.075,0.075,2.0,7.035,0.075
-BXQQPSDBGNFWBV_on_Q14833_WT,Medium,ChEMBL30,CHEMBL32972,NC1(C(=O)O)CC=C(P(=O)(O)O)C1,BXQQPSDBGNFWBV,BXQQPSDBGNFWBV-UHFFFAOYSA-N,"InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:7,6,13,8,3,2,1,4,5,10,11,12,9/E:(8,9)(10,11,12)/rA:13NCCOOCCCPOOOC/rB:s1;s2;d3;s3;s2;s6;w?7;s8;d9;s9;s9;s2s8;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715493,PMID:10888329,2000.0,PMID:10888329,2000,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-BXQVEFQXOWJFLQ_on_P41594_WT,High,ChEMBL30,CHEMBL3765114,N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(Cl)cc2)c1,BXQVEFQXOWJFLQ,BXQVEFQXOWJFLQ-UHFFFAOYSA-N,"InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H","""AuxInfo=1/0/N:5,4,6,23,28,24,27,18,19,29,15,2,12,3,22,25,16,7,20,14,11,21,26,17,1,13,9,10,8/E:(4,5)(6,7)(27,28)/CRV:29.6/rA:29NCCCCCCSOOCCNCCCFCCCCCCCCClCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;d8;s8;d11;s12;d13;s14;d15;s16;s16;d18;s14s19;s11d20;s21;d22;s23;d24;s25;s25;s22d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950;CHEMBL4008946;CHEMBL4008980;CHEMBL4008979;CHEMBL4009028,PMID:28212015,2017.0,PMID:28212015,2017,1;1;0;0;0,0,0,0;0;1;1;1,0,,=,  6.880;  7.890;  7.920;  7.970;  8.310,7.794,0.48100000000000004,0.24100000000000002,5.0,7.92,0.05
-BXTHDFVMVOKYQK_on_O00222_WT,Low,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BXTHDFVMVOKYQK_on_P41594_WT,Low,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BXTHDFVMVOKYQK_on_Q13255_WT,Low,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BXTHDFVMVOKYQK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.120,4.12,0.0,0.0,1.0,4.12,0.0
-BXTHDFVMVOKYQK_on_Q14832_WT,Low,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BXTHDFVMVOKYQK_on_Q14833_WT,Low,ChEMBL30,CHEMBL418462,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1,BXTHDFVMVOKYQK,BXTHDFVMVOKYQK-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,17,19,16,6,12,20,13,14,7,8,3,2,15,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCClCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-BXXBSWCSRUMEJU_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,10828532;CHEMBL2112634,NC(CCc1cccc(C(=O)O)c1)(C(=O)O)C1CC1C(=O)O,BXXBSWCSRUMEJU,BXXBSWCSRUMEJU-UHFFFAOYSA-N,"InChI=1S/C15H17NO6/c16-15(14(21)22,11-7-10(11)13(19)20)5-4-8-2-1-3-9(6-8)12(17)18/h1-3,6,10-11H,4-5,7,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:7,6,8,4,3,13,18,5,9,19,17,10,20,14,2,1,11,12,21,22,15,16/E:(17,18)(19,20)(21,22)/rA:22NCCCCCCCCCOOCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s2;d14;s14;s2;s17;s17s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:108816;CHEMBL717203,PMID:9464367,1998.0,PubChemAID:108816;PMID:9464367,2010;1998,0;1,0,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-BXXBSWCSRUMEJU_on_Q14832_WT,High,ChEMBL30,CHEMBL2112634,NC(CCc1cc(C(=O)O)ccc1)(C(=O)O)C1CC1C(=O)O,BXXBSWCSRUMEJU,BXXBSWCSRUMEJU-UHFFFAOYSA-N,"InChI=1S/C15H17NO6/c16-15(14(21)22,11-7-10(11)13(19)20)5-4-8-2-1-3-9(6-8)12(17)18/h1-3,6,10-11H,4-5,7,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:12,13,11,4,3,6,18,5,7,19,17,8,20,14,2,1,9,10,21,22,15,16/E:(17,18)(19,20)(21,22)/rA:22NCCCCCCCOOCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s2;d14;s14;s2;s17;s17s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-BXYLBPZPCRRRIX_on_Q13224_WT,High,ChEMBL30,CHEMBL4170858;CHEMBL4170683,FCCC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1,BXYLBPZPCRRRIX,BXYLBPZPCRRRIX-UHFFFAOYSA-N,"InChI=1S/C26H39FN2O/c27-15-12-24-20-21-6-4-5-9-25(21)26(30-24)13-10-23(11-14-26)29-18-16-28(17-19-29)22-7-2-1-3-8-22/h4-6,9,22-24H,1-3,7-8,10-20H2","""AuxInfo=1/0/N:23,22,24,10,9,11,21,25,8,14,28,3,13,29,2,18,26,17,27,5,6,20,15,4,7,12,1,19,16,30/E:(2,3)(7,8)(10,11)(13,14)(16,17)(18,19)/rA:30FCCCCCCCCCCCCCCNCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s19;s16s26;s15;s12s28;s4s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4158754,PMID:30350997,2018.0,PMID:30350997,2018,0,0,0,1,0,,=,  7.510;  7.190,7.35,0.16,0.16,2.0,7.35,0.16
-BYBLEWFAAKGYCD_on_O15303_WT,High,ChEMBL30,CHEMBL91,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,BYBLEWFAAKGYCD,BYBLEWFAAKGYCD-UHFFFAOYSA-N,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2","""AuxInfo=1/0/N:4,3,17,16,12,11,25,20,9,6,14,5,2,18,15,23,21,8,1,19,24,22,13,10,7/rA:25ClCCCCCOCCNCCNCCCCCClCCClCClC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s10d13;s8;d15;s16;d17;s18;s18;s15d20;s21;s5;s23;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-BYCXGGNLFKZNRY_on_P41594_WT,Low,ChEMBL30,CHEMBL245991,Cc1nc2c(cnn2-c2ncccc2)c(=O)n1-c1ccc(Cl)cc1,BYCXGGNLFKZNRY,BYCXGGNLFKZNRY-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5O/c1-11-21-16-14(10-20-23(16)15-4-2-3-9-19-15)17(24)22(11)13-7-5-12(18)6-8-13/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,20,23,19,24,11,6,2,21,18,5,9,4,15,22,10,7,3,17,8,16/E:(5,6)(7,8)/rA:24CCNCCCNNCNCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BYCXGGNLFKZNRY_on_Q13255_WT,Low,ChEMBL30,CHEMBL245991,Cc1nc2c(cnn2-c2ncccc2)c(=O)n1-c1ccc(Cl)cc1,BYCXGGNLFKZNRY,BYCXGGNLFKZNRY-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5O/c1-11-21-16-14(10-20-23(16)15-4-2-3-9-19-15)17(24)22(11)13-7-5-12(18)6-8-13/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,20,23,19,24,11,6,2,21,18,5,9,4,15,22,10,7,3,17,8,16/E:(5,6)(7,8)/rA:24CCNCCCNNCNCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-BYEKIJACVDAPTD_on_O00591_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_O14764_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P14867_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P18505_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P18507_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P28472_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P31644_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P34903_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P47869_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P47870_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P48169_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_P78334_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_Q16445_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYEKIJACVDAPTD_on_Q99928_WT,Low,ChEMBL30,CHEMBL327383,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2,BYEKIJACVDAPTD,BYEKIJACVDAPTD-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h1-6H,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-BYIYRDDNOBRJBG_on_P41594_WT,Low,ChEMBL30,CHEMBL1290443,O=C(COCc1cccs1)N1CCN(c2ccc(Cl)cc2Cl)CC1,BYIYRDDNOBRJBG,BYIYRDDNOBRJBG-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O2S/c18-13-3-4-16(15(19)10-13)20-5-7-21(8-6-20)17(22)12-23-11-14-2-1-9-24-14/h1-4,9-10H,5-8,11-12H2","""AuxInfo=1/0/N:8,7,17,16,13,23,12,24,9,20,5,3,18,6,21,15,2,19,22,14,11,1,4,10/E:(5,6)(7,8)/rA:24OCCOCCCCCSNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s6s9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  6.509,6.5089999999999995,0.0,0.0,1.0,6.5089999999999995,0.0
-BYKQCGVXEGVILX_on_P18507_WT,Low,ChEMBL30,CHEMBL567455,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(Cl)ncn-21,BYKQCGVXEGVILX,BYKQCGVXEGVILX-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4/c1-3-11-4-5-14-13(6-11)16-12(8-19-10(2)21-16)7-15-17(18)20-9-22(14)15/h1,4-6,8-9H,7H2,2H3","""AuxInfo=1/0/N:1,14,2,4,5,8,16,11,21,13,3,10,7,6,17,9,18,19,12,20,15,22/rA:22CCCCCCCCCCCNCCNCCCClNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;s18;d20;s6s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-BYKQCGVXEGVILX_on_P28472_WT,Low,ChEMBL30,CHEMBL567455,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(Cl)ncn-21,BYKQCGVXEGVILX,BYKQCGVXEGVILX-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4/c1-3-11-4-5-14-13(6-11)16-12(8-19-10(2)21-16)7-15-17(18)20-9-22(14)15/h1,4-6,8-9H,7H2,2H3","""AuxInfo=1/0/N:1,14,2,4,5,8,16,11,21,13,3,10,7,6,17,9,18,19,12,20,15,22/rA:22CCCCCCCCCCCNCCNCCCClNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;s18;d20;s6s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-BYKQCGVXEGVILX_on_P31644_WT,Low,ChEMBL30,CHEMBL567455,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(Cl)ncn-21,BYKQCGVXEGVILX,BYKQCGVXEGVILX-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4/c1-3-11-4-5-14-13(6-11)16-12(8-19-10(2)21-16)7-15-17(18)20-9-22(14)15/h1,4-6,8-9H,7H2,2H3","""AuxInfo=1/0/N:1,14,2,4,5,8,16,11,21,13,3,10,7,6,17,9,18,19,12,20,15,22/rA:22CCCCCCCCCCCNCCNCCCClNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;s18;d20;s6s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-BYLFSBOAFAIVKW_on_P41594_WT,High,ChEMBL30,CHEMBL3655655,CN(c1cncnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1,BYLFSBOAFAIVKW,BYLFSBOAFAIVKW-UHFFFAOYSA-N,"InChI=1S/C18H14N6O/c1-24(17-10-21-12-22-11-17)16-6-15(8-20-9-16)23-18(25)14-4-2-3-13(5-14)7-19/h2-6,8-12H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,20,18,24,25,22,12,10,4,8,6,21,17,13,9,3,15,23,11,5,7,14,2,16/E:(10,11)(21,22)/rA:25CNCCNCNCCCNCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;t22;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.670;  5.820,5.745,0.075,0.075,2.0,5.745,0.075
-BYLOTYUIJBOOQA_on_P14867_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P18505_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P28472_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P31644_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P34903_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P47869_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P47870_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_P48169_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYLOTYUIJBOOQA_on_Q16445_WT,Low,ChEMBL30,CHEMBL2440295,CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1,BYLOTYUIJBOOQA,BYLOTYUIJBOOQA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-3-13-23-21(26)19(20(25)15-5-7-16(22)8-6-15)14-24-17-9-11-18(12-10-17)27-4-2/h5-12,14,25H,3-4,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,16,2,15,22,27,23,26,11,18,12,17,3,8,21,24,10,13,7,19,5,25,4,9,20,6,14/E:(5,6)(7,8)(9,10)(11,12)/rA:27CCCNCOCCNCCCCOCCCCCOCCCCClCC/rB:s1;s2;s3;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s14;s15;s13;s10d17;w?7;s19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL2447166,PMID:24098954,2013.0,PMID:24098954,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-BYMDBFGHCDTBMT_on_P14867_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822162,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  9.850;  9.850,9.85,0.0,0.0,2.0,9.85,0.0
-BYMDBFGHCDTBMT_on_P18507_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823761;CHEMBL682251;CHEMBL678329;CHEMBL683045;CHEMBL681480;CHEMBL681248;CHEMBL824294;CHEMBL685337;CHEMBL822162,PMID:9651158,1998.0,PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158,1998;2000;2000;2000;2000;2000;1998;1998;1998,0,0,0,1,0,,=,  8.760;  8.760;  9.850;  6.320;  8.400;  8.920;  8.920;  8.400;  9.850,8.687000000000001,0.977,0.345,9.0,8.76,0.36
-BYMDBFGHCDTBMT_on_P28472_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822162;CHEMBL685337;CHEMBL824294;CHEMBL823761;CHEMBL682251;CHEMBL681480;CHEMBL683045;CHEMBL681248;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  9.850;  8.400;  8.920;  8.760;  8.760;  8.400;  6.320;  8.920;  9.850,8.687000000000001,0.977,0.345,9.0,8.76,0.36
-BYMDBFGHCDTBMT_on_P31644_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685337,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-BYMDBFGHCDTBMT_on_P34903_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823761,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  8.760;  8.760,8.76,0.0,0.0,2.0,8.76,0.0
-BYMDBFGHCDTBMT_on_P47869_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-BYMDBFGHCDTBMT_on_Q16445_WT,Low,ChEMBL30,CHEMBL10483,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC,BYMDBFGHCDTBMT,BYMDBFGHCDTBMT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,23,16,2,17,18,13,8,21,14,12,20,11,9,19,6,4,7,10,5,22,15,3/rA:23CCOCOCNCCNCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:9651158,1998.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-BYNDILZWGUHSKV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114364,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)F,BYNDILZWGUHSKV,BYNDILZWGUHSKV-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O3/c1-13-8-16(9-14(2)27-13)21-18-6-7-31-17(11-24)12-29(18)22(28-21)15-4-5-19(32-23(25)26)20(10-15)30-3/h4-5,8-10,17,23H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,15,1,26,27,18,19,10,16,4,22,24,11,14,5,9,21,17,28,3,8,6,30,23,31,32,13,7,25,2,20,29/E:(1,2)(8,9)(13,14)(25,26)/rA:32COCCCCNCCCCCNCCCCCCOCCFCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-BYUYPLVCRBNOSV_on_P18507_WT,Low,ChEMBL30,CHEMBL236432,CCCCc1cn(-c2c(Cl)cccc2Cl)nn1,BYUYPLVCRBNOSV,BYUYPLVCRBNOSV-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-17(16-15-9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,6,5,9,14,8,10,15,17,16,7/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNCCClCCCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BYUYPLVCRBNOSV_on_P47869_WT,Low,ChEMBL30,CHEMBL236432,CCCCc1cn(-c2c(Cl)cccc2Cl)nn1,BYUYPLVCRBNOSV,BYUYPLVCRBNOSV-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-17(16-15-9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,6,5,9,14,8,10,15,17,16,7/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNCCClCCCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BYUYPLVCRBNOSV_on_P47870_WT,Low,ChEMBL30,CHEMBL236432,CCCCc1cn(-c2c(Cl)cccc2Cl)nn1,BYUYPLVCRBNOSV,BYUYPLVCRBNOSV-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-17(16-15-9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,6,5,9,14,8,10,15,17,16,7/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNCCClCCCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-BYWQDLWHKFJLHC_on_P41594_WT,High,ChEMBL30,CHEMBL3644383,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ncc3,BYWQDLWHKFJLHC,BYWQDLWHKFJLHC-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c27-20-10-23-19(25-11-17(24-12-25)13-1-2-13)9-18-15-5-7-22-21(14-3-4-14)16(15)6-8-26(18)20/h5,7,9,11-14H,1-4,6,8,10H2","""AuxInfo=1/0/N:11,12,23,24,27,18,26,19,14,3,13,7,10,22,16,17,9,15,5,2,21,25,4,8,6,20,1/E:(1,2)(3,4)/rA:27OCCNCNCNCCCCCCCCCCCNCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-BYWQDLWHKFJLHC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644383,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ncc3,BYWQDLWHKFJLHC,BYWQDLWHKFJLHC-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c27-20-10-23-19(25-11-17(24-12-25)13-1-2-13)9-18-15-5-7-22-21(14-3-4-14)16(15)6-8-26(18)20/h5,7,9,11-14H,1-4,6,8,10H2","""AuxInfo=1/0/N:11,12,23,24,27,18,26,19,14,3,13,7,10,22,16,17,9,15,5,2,21,25,4,8,6,20,1/E:(1,2)(3,4)/rA:27OCCNCNCNCCCCCCCCCCCNCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-BYZFQQWIQZDOBE_on_Q14833_WT,Low,ChEMBL30,CHEMBL3904734,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,BYZFQQWIQZDOBE,BYZFQQWIQZDOBE-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O3S2/c20-13-4-3-5-14(21)12(13)10-29(26,27)18-16(11-7-8-11)23-19(28-18)24-17(25)15-6-1-2-9-22-15/h1-6,9,11H,7-8,10H2,(H,23,24,25)","""AuxInfo=1/1/N:26,27,19,18,20,25,8,9,28,14,7,15,16,21,24,6,2,10,4,17,22,29,5,3,1,12,13,23,11/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:29.6/rA:29OCNCNCCCCCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;s16;d18;s19;s15d20;s21;s4s10;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BZAKDBCUMWDPGV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL453249;44588461,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cnccc3)nn2)CC1,BZAKDBCUMWDPGV,BZAKDBCUMWDPGV-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,20,10,23,18,9,24,16,13,11,15,12,6,2,17,22,21,8,14,7,5/E:(1,2,3)/rA:24CCCCOCONCCCCCNCCNCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408;PubChemAID:389923,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389923,2008;2010,1;0,0,0,0,0;1,,=,  5.080;  5.081,5.081,0.0,0.0,2.0,5.081,0.001
-BZAKDBCUMWDPGV_on_Q13255_WT,High,ChEMBL30,CHEMBL453249,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cnccc3)nn2)CC1,BZAKDBCUMWDPGV,BZAKDBCUMWDPGV-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,20,10,23,18,9,24,16,13,11,15,12,6,2,17,22,21,8,14,7,5/E:(1,2,3)/rA:24CCCCOCONCCCCCNCCNCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-BZBMYZGUDODILV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3916091,Cc1cc(S(=O)(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)ccc1,BZBMYZGUDODILV,BZBMYZGUDODILV-UHFFFAOYSA-N,"InChI=1S/C27H38N4O3S/c1-18-9-8-10-20(15-18)35(33,34)29-23-16-19(13-14-27(23,5)6)21-11-12-22-24(28-21)30(7)25(32)31(22)17-26(2,3)4/h8-12,15,19,23,29H,13-14,16-17H2,1-7H3","""AuxInfo=1/0/N:1,25,26,27,31,32,19,34,35,33,13,14,28,29,3,10,23,2,11,4,12,15,9,16,20,24,30,17,8,18,22,21,6,7,5/E:(2,3,4)(5,6)(33,34)/CRV:35.6/rA:35CCCCSOONCCCCCCCCNNCCONCCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;d5;s5;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s16;s18;s18;d20;s15s20;s22;s23;s24;s24;s24;s11;s28;s9s29;s30;s30;d4;s33;s2d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-BZCZFLPITPUHOR_on_P14867_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-BZCZFLPITPUHOR_on_P18507_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL678329;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.520;  6.740;  6.540;  6.570,6.5920000000000005,0.087,0.05,4.0,6.555,0.025
-BZCZFLPITPUHOR_on_P28472_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.570;  6.740;  6.540;  6.520,6.593,0.087,0.05,4.0,6.555,0.025
-BZCZFLPITPUHOR_on_P31644_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-BZCZFLPITPUHOR_on_P34903_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-BZCZFLPITPUHOR_on_P47869_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-BZCZFLPITPUHOR_on_Q16445_WT,Low,ChEMBL30,CHEMBL435550,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC,BZCZFLPITPUHOR,BZCZFLPITPUHOR-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-21-25-22-14-20(32-16-17-9-10-18-7-5-6-8-19(18)13-17)11-12-23(22)29-24(25)15-28-26(21)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,22,23,21,24,26,25,27,28,18,13,8,16,17,20,19,14,30,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-BZDIPICEFZTEPI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108148,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)cc(C)n1,BZDIPICEFZTEPI,BZDIPICEFZTEPI-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O/c1-12-8-16(9-13(2)27-12)20-19-6-7-30-14(3)11-29(19)21(28-20)15-4-5-18(23)17(10-15)22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,20,18,6,5,14,21,19,22,23,24,30,26,13,9/E:(1,2)(8,9)(12,13)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCClCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s21;s15d20;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-BZIBIEYKXKMKQG_on_Q13255_WT,High,ChEMBL30,CHEMBL568451,Cc1c(-c2ccc3C(=O)C(C)(C)Cc3c2)nnn1-c1cnccc1,BZIBIEYKXKMKQG,BZIBIEYKXKMKQG-UHFFFAOYSA-N,"InChI=1S/C19H18N4O/c1-12-17(21-22-23(12)15-5-4-8-20-11-15)13-6-7-16-14(9-13)10-19(2,3)18(16)24/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,11,12,23,24,5,6,22,15,13,20,2,4,14,19,7,3,8,10,21,16,17,18,9/E:(2,3)/rA:24CCCCCCCCOCCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s10;s10;s7s13;s4d14;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-BZIBRALMCDHACX_on_O00591_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_O14764_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P14867_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P18505_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P18507_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P28472_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P31644_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P34903_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P47869_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P47870_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P48169_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_P78334_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_Q16445_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZIBRALMCDHACX_on_Q99928_WT,Low,ChEMBL30,CHEMBL190768,Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,BZIBRALMCDHACX,BZIBRALMCDHACX-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,16,15,17,14,3,22,4,21,2,5,12,13,6,19,9,11,7,18,8,20,10/E:(6,7)(8,9)/rA:22CCCCCCNNCONCCCCCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8s13;s6s18;d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-BZJCMXLEGBDDGI_on_P41594_WT,High,ChEMBL30,CHEMBL202307,C=Cc1cc(C#Cc2csc(C)n2)cnc1,BZJCMXLEGBDDGI,BZJCMXLEGBDDGI-UHFFFAOYSA-N,"InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3","""AuxInfo=1/0/N:1,12,2,6,7,4,16,14,9,11,3,5,8,15,13,10/rA:16CCCCCCCCCSCCNCNC/rB:d1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;CHEMBL862887,PMID:16451073,2006.0,PMID:16451073,2006,1;0,0,0,0;1,0,,=,  8.700;  9.000,8.85,0.15,0.15,2.0,8.85,0.15
-BZKXRZPNQJFQIG_on_P41594_WT,Medium,ChEMBL30,CHEMBL246234,Cc1cnccc1NC(=O)NC1=NC(=O)CN1C,BZKXRZPNQJFQIG,BZKXRZPNQJFQIG-UHFFFAOYSA-N,"InChI=1S/C11H13N5O2/c1-7-5-12-4-3-8(7)13-11(18)15-10-14-9(17)6-16(10)2/h3-5H,6H2,1-2H3,(H2,12,13,14,15,17,18)","""AuxInfo=1/1/N:1,18,6,5,3,16,2,7,14,12,9,4,8,13,11,17,15,10/rA:18CCCNCCCNCONCNCOCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;d9;s9;s11;w?12;s13;d14;s14;s12s16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  5.800;  5.570,5.685,0.115,0.115,2.0,5.685,0.115
-BZLGHAUIDSZMDX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3907930,Fc1cc(Cl)cc(Nc2c3ncccc3n[nH]2)c1,BZLGHAUIDSZMDX,BZLGHAUIDSZMDX-UHFFFAOYSA-N,"InChI=1S/C12H8ClFN4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:13,14,12,3,6,18,4,2,7,15,10,9,5,1,11,8,16,17/rA:18FCCCClCCNCCNCCCCNNC/rB:s1;d2;s3;s4;d4;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-BZQFBWGGLXLEPQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL284377,NC(COP(=O)(O)O)C(=O)O,BZQFBWGGLXLEPQ,BZQFBWGGLXLEPQ-UHFFFAOYSA-N,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)","""AuxInfo=1/1/N:3,2,9,1,10,11,6,7,8,4,5/E:(5,6)(7,8,9)/rA:11NCCOPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712460,PMID:7738999,1995.0,PMID:7738999,1995,0,1,0,0,0,,>,  3.699,3.699,0.0,0.0,1.0,3.699,0.0
-BZQFBWGGLXLEPQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL284377,NC(COP(=O)(O)O)C(=O)O,BZQFBWGGLXLEPQ,BZQFBWGGLXLEPQ-UHFFFAOYSA-N,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)","""AuxInfo=1/1/N:3,2,9,1,10,11,6,7,8,4,5/E:(5,6)(7,8,9)/rA:11NCCOPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715495;CHEMBL884506,PMID:7738999,1995.0,PMID:10888329;PMID:7738999,2000;1995,0,1,0,0,0,,=,  6.000;  5.890,5.945,0.055,0.055,2.0,5.945,0.055
-BZSDSYSGDUHDMQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198994,c1ccc2c(c1)[nH]c1c2cc[n+](CCOCCOCCOCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1,BZSDSYSGDUHDMQ,BZSDSYSGDUHDMQ-UHFFFAOYSA-P,"InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2","""AuxInfo=1/5/N:2,34,1,33,3,35,6,32,10,28,11,29,13,23,14,22,16,20,17,19,37,25,4,30,9,27,5,31,8,26,7,36,12,24,15,21,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:37CCCCCCNCCCCN+CCOCCOCCOCCN+CCCCCCCCCCCNC/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s27;d30;s31;d32;s33;s30d34;s26s31;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-BZSDSYSGDUHDMQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198994,c1ccc2c(c1)[nH]c1c2cc[n+](CCOCCOCCOCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1,BZSDSYSGDUHDMQ,BZSDSYSGDUHDMQ-UHFFFAOYSA-P,"InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2","""AuxInfo=1/5/N:2,34,1,33,3,35,6,32,10,28,11,29,13,23,14,22,16,20,17,19,37,25,4,30,9,27,5,31,8,26,7,36,12,24,15,21,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:37CCCCCCNCCCCN+CCOCCOCCOCCN+CCCCCCCCCCCNC/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s27;d30;s31;d32;s33;s30d34;s26s31;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-BZTFZEXQWFKEJC_on_O15399_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_O60391_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_Q05586_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_Q12879_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_Q13224_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZTFZEXQWFKEJC_on_Q14957_WT,Low,ChEMBL30,CHEMBL273662,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1,BZTFZEXQWFKEJC,BZTFZEXQWFKEJC-UHFFFAOYSA-N,"InChI=1S/C9H8BrN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCBrC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-BZWIJCMFIDASAD_on_P31644_WT,High,ChEMBL30,CHEMBL3681557;CHEMBL3681556,Cc1c(COc2ccc(C(=O)NC3CCCC3O)cn2)c(-c2ccc(Cl)cc2)no1,BZWIJCMFIDASAD,BZWIJCMFIDASAD-UHFFFAOYSA-N,"InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,15,14,16,23,28,8,24,27,7,19,4,2,22,9,25,3,13,17,6,21,10,26,20,12,29,18,11,5,30/E:(5,6)(8,9)/rA:30CCCCOCCCCCONCCCCCOCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s13s16;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.300;  9.150,9.225,0.075,0.075,2.0,9.225,0.075
-BZZMZRJVPNJUED_on_P41594_WT,High,ChEMBL30,CHEMBL3633968,CC(=O)N1CCCn2nc(CSc3ccccc3)cc12,BZZMZRJVPNJUED,BZZMZRJVPNJUED-UHFFFAOYSA-N,"InChI=1S/C15H17N3OS/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCSCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.410;  5.410,5.41,0.0,0.0,2.0,5.41,0.0
-CAAKIMZLMOXHSX_on_P41594_WT,High,ChEMBL30,CHEMBL2403586,O=C(N1CCc2c(C1)sc(C#Cc1ccccc1)n2)N1CC(F)(F)C1,CAAKIMZLMOXHSX,CAAKIMZLMOXHSX-UHFFFAOYSA-N,"InChI=1S/C18H15F2N3OS/c19-18(20)11-23(12-18)17(24)22-9-8-14-15(10-22)25-16(21-14)7-6-13-4-2-1-3-5-13/h1-5H,8-12H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,5,4,8,21,25,13,6,7,10,2,22,23,24,19,3,20,1,9/E:(2,3)(4,5)(11,12)(19,20)/rA:25OCNCCCCCSCCCCCCCCCNNCCFFC/rB:d1;s2;s3;s4;s5;d6;s3s7;s7;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;s2;s20;s21;s22;s22;s20s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-CACDSTLXMIALPW_on_P41594_WT,High,ChEMBL30,CHEMBL3605296,O=C(c1c2cccnc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2,CACDSTLXMIALPW,CACDSTLXMIALPW-UHFFFAOYSA-N,"InChI=1S/C20H17N5O3/c26-20(18-14-7-4-9-21-19(14)24-23-18)25-10-8-15-16(11-25)28-17(22-15)12-27-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,21,23,24)","""AuxInfo=1/1/N:25,24,26,6,23,27,5,14,7,13,17,20,22,4,15,16,19,3,9,2,8,28,11,10,12,1,21,18/E:(2,3)(5,6)/rA:28OCCCCCCNCNNNCCCCCOCCOCCCCCCN/rB:d1;s2;d3;s4;d5;s6;d7;s4s8;d9;s3s10;s2;s12;s13;s14;d15;s12s16;s16;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.260;  6.260,6.26,0.0,0.0,2.0,6.26,0.0
-CAHBLRHKGVUIMA_on_Q14416_WT,High,ChEMBL30,CHEMBL607311,CCCn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cccc2,CAHBLRHKGVUIMA,CAHBLRHKGVUIMA-UHFFFAOYSA-N,"InChI=1S/C21H23ClF3N5/c1-2-9-30-17-6-4-3-5-16(17)26-19(30)14-28-10-12-29(13-11-28)20-15(21(23,24)25)7-8-18(22)27-20/h3-8H,2,9-14H2,1H3","""AuxInfo=1/0/N:1,2,29,28,30,27,16,15,3,8,23,9,22,6,17,25,26,13,5,11,18,14,19,20,21,24,12,7,10,4/E:(10,11)(12,13)(23,24,25)/rA:30CCCNCCNCCNCNCClCCCCFFFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s17;s18;s18;s18;s10;s7s22;d5;s24;s4d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CAJUSRIHDIZNNF_on_P14867_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-CAJUSRIHDIZNNF_on_P18507_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681641;CHEMBL685339;CHEMBL681405;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.100;  8.330;  7.320;  7.320,7.518,0.478,0.276,4.0,7.32,0.11
-CAJUSRIHDIZNNF_on_P28472_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681405;CHEMBL681641;CHEMBL682253;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.320;  7.100;  7.320;  8.330,7.518,0.478,0.276,4.0,7.32,0.11
-CAJUSRIHDIZNNF_on_P31644_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CAJUSRIHDIZNNF_on_P34903_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-CAJUSRIHDIZNNF_on_P47869_WT,Low,ChEMBL30,CHEMBL420929,CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1,CAJUSRIHDIZNNF,CAJUSRIHDIZNNF-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,11,18,12,10,19,22,4,21,5,7,15,16,8,2,17,13,6,20,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;d18;s16s19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-CANODGNUGMXXDV_on_Q05586_WT,Low,ChEMBL30,CHEMBL3968067,COc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,CANODGNUGMXXDV,CANODGNUGMXXDV-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O2/c1-29-12-2-3-15-24-10(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(12)11-4-9(11)7-23/h2-3,5-6,9,11H,4,8H2,1H3","""AuxInfo=1/0/N:1,29,28,6,13,23,8,15,7,14,5,3,18,24,27,11,4,19,25,20,21,22,9,26,17,16,10,12,2/E:(20,21,22)/rA:29COCCCCCCNNCOCCCNNCCFFFCCClNCCC/rB:s1;s2;d3;s4;s5;s5s6;s7;t8;s4;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-CANODGNUGMXXDV_on_Q12879_WT,Low,ChEMBL30,CHEMBL3968067,COc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,CANODGNUGMXXDV,CANODGNUGMXXDV-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O2/c1-29-12-2-3-15-24-10(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(12)11-4-9(11)7-23/h2-3,5-6,9,11H,4,8H2,1H3","""AuxInfo=1/0/N:1,29,28,6,13,23,8,15,7,14,5,3,18,24,27,11,4,19,25,20,21,22,9,26,17,16,10,12,2/E:(20,21,22)/rA:29COCCCCCCNNCOCCCNNCCFFFCCClNCCC/rB:s1;s2;d3;s4;s5;s5s6;s7;t8;s4;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-CAPIKYWUDAYNCC_on_Q14416_WT,High,ChEMBL30,CHEMBL3884343,CC(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(F)cc1,CAPIKYWUDAYNCC,CAPIKYWUDAYNCC-UHFFFAOYSA-N,"InChI=1S/C20H19F4N3O/c1-12(14-4-6-15(21)7-5-14)11-28-16-8-9-27-17(10-13-2-3-13)25-26-19(27)18(16)20(22,23)24/h4-9,12-13H,2-3,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,23,28,24,27,21,20,15,3,2,16,22,25,5,14,6,11,7,26,8,9,10,13,12,19,4/E:(2,3)(4,5)(6,7)(22,23,24)/rA:28CCCOCCCFFFCNNCCCCCNCCCCCCFCC/rB:s1;s2;s3;s4;d5;s6;s7;s7;s7;s6;d11;s12;d13;s14;s15;s16;s16s17;s11s14;s19;s5d20;s2;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-CAQVASBHJSOHTF_on_P41594_WT,High,ChEMBL30,CHEMBL1682833,CS(=O)(=O)N1CCOc2c1ncc(COc1ccccc1)c2,CAQVASBHJSOHTF,CAQVASBHJSOHTF-UHFFFAOYSA-N,"InChI=1S/C15H16N2O4S/c1-22(18,19)17-7-8-20-14-9-12(10-16-15(14)17)11-21-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,6,7,22,12,14,13,16,9,10,11,5,3,4,8,15,2/E:(3,4)(5,6)(18,19)/CRV:22.6/rA:22CSOONCCOCCNCCCOCCCCCCC/rB:s1;d2;d2;s2;s5;s6;s7;s8;s5d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.220;  6.210,6.215,0.005,0.005,2.0,6.215,0.005
-CASOIDDYMKIXSH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1808895;56663555,Cc1nccc(-c2ncc(C3CCCN3C(=O)c3cnccn3)c(C)c2)c1,CASOIDDYMKIXSH,CASOIDDYMKIXSH-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c1-14-10-18(16-5-6-23-15(2)11-16)25-12-17(14)20-4-3-9-26(20)21(27)19-13-22-7-8-24-19/h5-8,10-13,20H,3-4,9H2,1-2H3","""AuxInfo=1/0/N:25,1,13,12,5,4,21,22,14,26,27,9,19,24,2,6,10,7,18,11,16,20,3,23,8,15,17/rA:27CCNCCCCNCCCCCCNCOCCNCCNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10;s24;s7d24;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PubChemAID:609897,2011;2012,1;0,0,0,0,0;1,,=,  6.430;  6.432,6.431,0.001,0.001,2.0,6.431,0.001
-CAVPDUPKFCVXKI_on_P41594_WT,High,ChEMBL30,CHEMBL3702428,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)cn1,CAVPDUPKFCVXKI,CAVPDUPKFCVXKI-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-15-13-26(14-25-15)21-11-20-19-4-2-3-17(16-5-8-23-9-6-16)18(19)7-10-27(20)22(28)12-24-21/h2-6,8-9,11,13-14H,7,10,12H2,1H3","""AuxInfo=1/0/N:1,16,17,15,20,24,12,21,23,11,26,7,3,27,2,19,18,13,14,25,5,8,22,6,28,4,10,9/E:(5,6)(8,9)/rA:28CCCNCNCCONCCCCCCCCCCCNCCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-CAVPDUPKFCVXKI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702428,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)cn1,CAVPDUPKFCVXKI,CAVPDUPKFCVXKI-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-15-13-26(14-25-15)21-11-20-19-4-2-3-17(16-5-8-23-9-6-16)18(19)7-10-27(20)22(28)12-24-21/h2-6,8-9,11,13-14H,7,10,12H2,1H3","""AuxInfo=1/0/N:1,16,17,15,20,24,12,21,23,11,26,7,3,27,2,19,18,13,14,25,5,8,22,6,28,4,10,9/E:(5,6)(8,9)/rA:28CCCNCNCCONCCCCCCCCCCCNCCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CAWROKQLIKIEEA_on_P41594_WT,High,ChEMBL30,CHEMBL3746344,O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1,CAWROKQLIKIEEA,CAWROKQLIKIEEA-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-15-7-9-17(10-8-15)23-11-4-12-24-19(20(23)25)13-16(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2","""AuxInfo=1/0/N:11,10,12,17,9,13,22,25,21,26,18,16,4,6,23,5,20,8,3,2,24,14,19,15,1,7/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCCCOCCCCCCNNCCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.060;  6.660,6.86,0.2,0.2,2.0,6.86,0.2
-CAWROKQLIKIEEA_on_Q14832_WT,High,ChEMBL30,CHEMBL3746344,O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1,CAWROKQLIKIEEA,CAWROKQLIKIEEA-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-15-7-9-17(10-8-15)23-11-4-12-24-19(20(23)25)13-16(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2","""AuxInfo=1/0/N:11,10,12,17,9,13,22,25,21,26,18,16,4,6,23,5,20,8,3,2,24,14,19,15,1,7/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCCCOCCCCCCNNCCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-CAYKXAFYYYAPJS_on_O00222_WT,High,ChEMBL30,CHEMBL4072781;CHEMBL4093492;CHEMBL4093492;CHEMBL4085750,NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1)C(=O)O,CAYKXAFYYYAPJS,CAYKXAFYYYAPJS-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:12,11,13,3,4,18,10,14,2,19,8,1,15,20,21,9,16,17,6,7,5/E:(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037499;CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.900;  5.920;  5.820;  5.890,5.882999999999999,0.038,0.022000000000000002,4.0,5.895,0.015
-CAYKXAFYYYAPJS_on_O15303_WT,High,ChEMBL30,CHEMBL4085750;CHEMBL4072781;CHEMBL4093492,NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1)C(=O)O,CAYKXAFYYYAPJS,CAYKXAFYYYAPJS-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:12,11,13,3,4,18,10,14,2,19,8,1,15,20,21,9,16,17,6,7,5/E:(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037500;CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.500;  5.620;  5.060,5.393,0.24100000000000002,0.17,3.0,5.5,0.12
-CAYKXAFYYYAPJS_on_Q14833_WT,High,ChEMBL30,CHEMBL4093492;CHEMBL4085750;CHEMBL4072781;CHEMBL4093492,NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1)C(=O)O,CAYKXAFYYYAPJS,CAYKXAFYYYAPJS-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:12,11,13,3,4,18,10,14,2,19,8,1,15,20,21,9,16,17,6,7,5/E:(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037498;CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.220;  6.500;  6.000;  6.270,6.247000000000001,0.17800000000000002,0.10300000000000001,4.0,6.245,0.135
-CBALADWGHINQPP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108564,CCC1Cn2c(-c3ccc(Cl)c(OC)c3)nc(-c3ccnc(C)c3)c2CCO1,CBALADWGHINQPP,CBALADWGHINQPP-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-4-17-13-26-19(8-10-28-17)21(15-7-9-24-14(2)11-15)25-22(26)16-5-6-18(23)20(12-16)27-3/h5-7,9,11-12,17H,4,8,10,13H2,1-3H3","""AuxInfo=1/0/N:1,23,14,2,8,9,19,26,20,27,24,15,4,22,18,7,3,10,25,12,17,6,11,21,16,5,13,28/rA:28CCCCNCCCCCClCOCCNCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s12;s13;s7d12;d6;s16;s17;d18;s19;d20;s21;s22;s18d22;s5d17;s25;s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-CBAXLHGEEASOPH_on_P14867_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-CBAXLHGEEASOPH_on_P18507_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890;  7.620;  7.750;  8.740,7.75,0.659,0.38,4.0,7.685,0.43
-CBAXLHGEEASOPH_on_P28472_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750;  7.620;  6.890;  8.740,7.75,0.659,0.38,4.0,7.685,0.43
-CBAXLHGEEASOPH_on_P31644_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-CBAXLHGEEASOPH_on_P34903_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-CBAXLHGEEASOPH_on_P47869_WT,Low,ChEMBL30,CHEMBL178738,c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1,CBAXLHGEEASOPH,CBAXLHGEEASOPH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,1,25,21,23,20,24,12,13,2,5,22,19,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(4,5)(6,7)(8,9)/rA:26CCNCCOCNNCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;s19;s20;s17s21;s22;s19s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-CBEUCNBOXXAAOH_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163307,O=C(O)c1c(CN2CC(=O)N(c3ccc(Cl)cc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,CBEUCNBOXXAAOH,CBEUCNBOXXAAOH-UHFFFAOYSA-N,"InChI=1S/C19H12Cl3N3O4/c20-9-1-3-11(4-2-9)25-15(26)8-24(19(25)29)7-12-16-13(22)5-10(21)6-14(16)23-17(12)18(27)28/h1-6,23H,7-8H2,(H,27,28)","""AuxInfo=1/1/N:14,17,13,18,26,23,6,8,15,24,12,5,27,22,9,21,4,2,19,16,25,28,29,7,11,10,1,3,20/E:(1,2)(3,4)(27,28)/rA:29OCOCCCNCCONCCCCClCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s7s11;d19;s5;d21;s22;d23;s24;s24;s21d26;s27;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-CBHUPXYZTQWYGV_on_P14867_WT,Low,ChEMBL30,CHEMBL471115,CCCCCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,CBHUPXYZTQWYGV,CBHUPXYZTQWYGV-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,9,2,3,4,5,15,14,18,20,16,12,6,13,7,10,17,21,8,19,11/rA:21CCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s7s13;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-CBHUPXYZTQWYGV_on_P18507_WT,Low,ChEMBL30,CHEMBL471115,CCCCCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,CBHUPXYZTQWYGV,CBHUPXYZTQWYGV-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,9,2,3,4,5,15,14,18,20,16,12,6,13,7,10,17,21,8,19,11/rA:21CCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s7s13;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-CBHUPXYZTQWYGV_on_P28472_WT,Low,ChEMBL30,CHEMBL471115,CCCCCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,CBHUPXYZTQWYGV,CBHUPXYZTQWYGV-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,9,2,3,4,5,15,14,18,20,16,12,6,13,7,10,17,21,8,19,11/rA:21CCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s7s13;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-CBHUPXYZTQWYGV_on_P31644_WT,Medium,ChEMBL30,CHEMBL471115,CCCCCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,CBHUPXYZTQWYGV,CBHUPXYZTQWYGV-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,9,2,3,4,5,15,14,18,20,16,12,6,13,7,10,17,21,8,19,11/rA:21CCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s7s13;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-CBJCDASMWDBKAU_on_P41594_WT,Medium,ChEMBL30,CHEMBL245403,CN1CC(=O)N=C1NC(=O)Nc1ccncc1,CBJCDASMWDBKAU,CBJCDASMWDBKAU-UHFFFAOYSA-N,"InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-2-4-11-5-3-7/h2-5H,6H2,1H3,(H2,11,12,13,14,16,17)","""AuxInfo=1/1/N:1,13,17,14,16,3,12,4,7,9,15,11,6,8,2,5,10/E:(2,3)(4,5)/rA:17CNCCONCNCONCCCNCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-CBKOOGJFEQBENF_on_P14867_WT,Low,ChEMBL30,CHEMBL46567,Cc1csc(-c2cc(-c3c(F)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,CBKOOGJFEQBENF,CBKOOGJFEQBENF-UHFFFAOYSA-N,"InChI=1S/C23H18FN3OS/c1-14-13-29-22(26-14)18-11-17(16-6-2-3-7-20(16)24)21-19-12-25-9-8-15(19)5-4-10-27(21)23(18)28/h2-3,6-9,11-13H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,14,13,24,23,15,12,19,20,25,7,22,3,2,18,9,8,6,17,10,16,5,27,11,21,29,26,28,4/rA:29CCCSCCCCCCFCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-CBKOOGJFEQBENF_on_P18507_WT,Low,ChEMBL30,CHEMBL46567,Cc1csc(-c2cc(-c3c(F)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,CBKOOGJFEQBENF,CBKOOGJFEQBENF-UHFFFAOYSA-N,"InChI=1S/C23H18FN3OS/c1-14-13-29-22(26-14)18-11-17(16-6-2-3-7-20(16)24)21-19-12-25-9-8-15(19)5-4-10-27(21)23(18)28/h2-3,6-9,11-13H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,14,13,24,23,15,12,19,20,25,7,22,3,2,18,9,8,6,17,10,16,5,27,11,21,29,26,28,4/rA:29CCCSCCCCCCFCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.300;  8.520,8.41,0.11,0.11,2.0,8.41,0.11
-CBKOOGJFEQBENF_on_P28472_WT,Low,ChEMBL30,CHEMBL46567,Cc1csc(-c2cc(-c3c(F)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,CBKOOGJFEQBENF,CBKOOGJFEQBENF-UHFFFAOYSA-N,"InChI=1S/C23H18FN3OS/c1-14-13-29-22(26-14)18-11-17(16-6-2-3-7-20(16)24)21-19-12-25-9-8-15(19)5-4-10-27(21)23(18)28/h2-3,6-9,11-13H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,14,13,24,23,15,12,19,20,25,7,22,3,2,18,9,8,6,17,10,16,5,27,11,21,29,26,28,4/rA:29CCCSCCCCCCFCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.300;  8.520,8.41,0.11,0.11,2.0,8.41,0.11
-CBKOOGJFEQBENF_on_P34903_WT,Low,ChEMBL30,CHEMBL46567,Cc1csc(-c2cc(-c3c(F)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,CBKOOGJFEQBENF,CBKOOGJFEQBENF-UHFFFAOYSA-N,"InChI=1S/C23H18FN3OS/c1-14-13-29-22(26-14)18-11-17(16-6-2-3-7-20(16)24)21-19-12-25-9-8-15(19)5-4-10-27(21)23(18)28/h2-3,6-9,11-13H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,14,13,24,23,15,12,19,20,25,7,22,3,2,18,9,8,6,17,10,16,5,27,11,21,29,26,28,4/rA:29CCCSCCCCCCFCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-CBRLWSXYXSFYSP_on_O00591_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_O14764_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P14867_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P18505_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P18507_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P28472_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P31644_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P34903_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P47869_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P47870_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P48169_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_P78334_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBRLWSXYXSFYSP_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322885,Nc1ncc(C(=O)O)cn1,CBRLWSXYXSFYSP,CBRLWSXYXSFYSP-UHFFFAOYSA-N,"InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CBSKGIYMMMTKHK_on_P31644_WT,High,ChEMBL30,CHEMBL3639804,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccc(Cl)cn2)no1,CBSKGIYMMMTKHK,CBSKGIYMMMTKHK-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,8,23,22,7,13,17,14,16,18,26,4,2,9,24,3,21,6,20,10,25,27,19,28,12,11,15,5,29/E:(6,7)(8,9)/rA:29CCCCOCCCCCONCCOCCCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-CBTKXRRLWOVILQ_on_P18507_WT,Low,ChEMBL30,CHEMBL568539,Cc1c2Cn3cc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,CBTKXRRLWOVILQ,CBTKXRRLWOVILQ-UHFFFAOYSA-N,"InChI=1S/C19H18BrN5O/c1-12-17-10-24-9-14(8-23-6-2-3-18(23)26)22-19(24)15-7-13(20)4-5-16(15)25(17)11-21-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,8,6,4,25,2,21,7,17,18,3,13,16,22,26,15,9,5,24,14/rA:26CCCCNCCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-CBTKXRRLWOVILQ_on_P28472_WT,Low,ChEMBL30,CHEMBL568539,Cc1c2Cn3cc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,CBTKXRRLWOVILQ,CBTKXRRLWOVILQ-UHFFFAOYSA-N,"InChI=1S/C19H18BrN5O/c1-12-17-10-24-9-14(8-23-6-2-3-18(23)26)22-19(24)15-7-13(20)4-5-16(15)25(17)11-21-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,8,6,4,25,2,21,7,17,18,3,13,16,22,26,15,9,5,24,14/rA:26CCCCNCCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-CBTKXRRLWOVILQ_on_P31644_WT,Low,ChEMBL30,CHEMBL568539,Cc1c2Cn3cc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,CBTKXRRLWOVILQ,CBTKXRRLWOVILQ-UHFFFAOYSA-N,"InChI=1S/C19H18BrN5O/c1-12-17-10-24-9-14(8-23-6-2-3-18(23)26)22-19(24)15-7-13(20)4-5-16(15)25(17)11-21-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,8,6,4,25,2,21,7,17,18,3,13,16,22,26,15,9,5,24,14/rA:26CCCCNCCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-CBTXRHABDNCTBZ_on_P41594_WT,High,ChEMBL30,CHEMBL3747732,O=C1c2cc(COc3ccc(F)cn3)nn2CCN1c1ccc(F)cc1,CBTXRHABDNCTBZ,CBTXRHABDNCTBZ-UHFFFAOYSA-N,"InChI=1S/C18H14F2N4O2/c19-12-1-4-15(5-2-12)23-7-8-24-16(18(23)25)9-14(22-24)11-26-17-6-3-13(20)10-21-17/h1-6,9-10H,7-8,11H2","""AuxInfo=1/0/N:22,25,10,21,26,9,18,17,4,13,6,23,11,5,20,3,8,2,24,12,14,15,19,16,1,7/E:(1,2)(4,5)/rA:26OCCCCCOCCCCFCNNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s8d13;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.100;  5.100,5.1,0.0,0.0,2.0,5.1,0.0
-CCBMCVHJBDQDRF_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684120,O=C1NCCc2c1ccc(C#Cc1cc(F)ccc1)n2,CCBMCVHJBDQDRF,CCBMCVHJBDQDRF-UHFFFAOYSA-N,"InChI=1S/C16H11FN2O/c17-12-3-1-2-11(10-12)4-5-13-6-7-14-15(19-13)8-9-18-16(14)20/h1-3,6-7,10H,8-9H2,(H,18,20)","""AuxInfo=1/1/N:18,19,17,12,11,9,8,5,4,14,13,15,10,7,6,2,16,3,20,1/rA:20OCNCCCCCCCCCCCCFCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;s15;d15;s17;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-CCBWSWGULULTNH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799103,CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1,CCBWSWGULULTNH,CCBWSWGULULTNH-UHFFFAOYSA-N,"InChI=1S/C17H15FN4OS/c1-3-21(14-6-4-12(18)5-7-14)10-13-8-16(23)22-15(9-19)11(2)24-17(22)20-13/h4-8H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,14,2,20,23,19,24,6,11,4,13,21,5,18,10,7,16,22,12,17,3,9,8,15/E:(4,5)(6,7)/rA:24CCNCCCCONCCNCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;t11;d10;s13;s13;s9s15;s5d16;s3;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-CCBWSWGULULTNH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799103,CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1,CCBWSWGULULTNH,CCBWSWGULULTNH-UHFFFAOYSA-N,"InChI=1S/C17H15FN4OS/c1-3-21(14-6-4-12(18)5-7-14)10-13-8-16(23)22-15(9-19)11(2)24-17(22)20-13/h4-8H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,14,2,20,23,19,24,6,11,4,13,21,5,18,10,7,16,22,12,17,3,9,8,15/E:(4,5)(6,7)/rA:24CCNCCCCONCCNCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;t11;d10;s13;s13;s9s15;s5d16;s3;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-CCCHHGSPZLGUAW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL520300,CC1CN(Cc2ccc(-c3ccncc3)cc2)C(=O)O1,CCCHHGSPZLGUAW,CCCHHGSPZLGUAW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-2-4-14(5-3-13)15-6-8-17-9-7-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,7,17,8,16,11,15,12,14,3,5,2,6,9,10,18,13,4,19,20/E:(2,3)(4,5)(6,7)(8,9)/rA:20CCCNCCCCCCCCNCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s6d16;s4;d18;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-CCCYRBOSIZXPIH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1290109;24763203,O=C(COCc1cnccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,CCCYRBOSIZXPIH,CCCYRBOSIZXPIH-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O2/c19-15-3-4-17(16(20)10-15)22-6-8-23(9-7-22)18(24)13-25-12-14-2-1-5-21-11-14/h1-5,10-11H,6-9,12-13H2","""AuxInfo=1/0/N:10,11,18,17,9,14,24,13,25,21,7,5,3,6,19,22,16,2,20,23,8,15,12,1,4/E:(6,7)(8,9)/rA:25OCCOCCCNCCCNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.960;  5.963,5.962000000000001,0.002,0.002,2.0,5.962000000000001,0.002
-CCHANKFDJCNRBT_on_O15399_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_O60391_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_Q05586_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_Q12879_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_Q13224_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCHANKFDJCNRBT_on_Q14957_WT,Low,ChEMBL30,CHEMBL42915,O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O,CCHANKFDJCNRBT,CCHANKFDJCNRBT-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-4(11)6-5(2-3)12-9(15)7(13-16)8(6)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:11,8,9,12,7,6,3,4,15,10,13,14,2,5,16,1/rA:16ONCCOCCCCClCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s6d11;s12;s7;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CCICQLAZECVRDS_on_P41594_WT,High,ChEMBL30,CHEMBL401794,Cc1cn2cc(C)nc(C#Cc3cscc3)c2c1,CCICQLAZECVRDS,CCICQLAZECVRDS-UHFFFAOYSA-N,"InChI=1S/C15H12N2S/c1-11-7-15-14(4-3-13-5-6-18-10-13)16-12(2)9-17(15)8-11/h5-10H,1-2H3","""AuxInfo=1/0/N:1,7,11,10,16,15,18,3,5,13,2,6,12,9,17,8,4,14/rA:18CCCNCCCNCCCCCSCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;s14;s12d15;s4s9;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-CCIJVLIWXLKNEQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71585719;CHEMBL2431417,Cc1c(F)c(C)cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1,CCIJVLIWXLKNEQ,CCIJVLIWXLKNEQ-UHFFFAOYSA-N,"InChI=1S/C27H27FN6O/c1-19-15-22(16-20(2)25(19)28)23-17-34(26(31-23)21-7-4-3-5-8-21)18-24(35)32-11-13-33(14-12-32)27-29-9-6-10-30-27/h3-10,15-17H,11-14,18H2,1-2H3","""AuxInfo=1/0/N:1,6,31,30,32,22,29,33,21,23,16,26,17,25,35,7,10,12,2,5,28,8,9,13,3,27,19,4,20,24,34,15,18,11,14/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)(29,30)/rA:35CCCFCCCCCCNCCONCCNCNCCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;s5;d5;s7;s8;d9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s15s25;s11;s27;d28;s29;d30;s31;s28d32;s9d27;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:772427;CHEMBL2433294,PMID:24900753,2013.0,PubChemAID:772427;PMID:24900753,2014;2013,0,0;1,0,0,1;0,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-CCJBYKADMOCSTC_on_P41594_WT,Medium,ChEMBL30,CHEMBL394922,Cc1nc(C#Cc2ccc(Cl)cc2)ccc1,CCJBYKADMOCSTC,CCJBYKADMOCSTC-UHFFFAOYSA-N,"InChI=1S/C14H10ClN/c1-11-3-2-4-14(16-11)10-7-12-5-8-13(15)9-6-12/h2-6,8-9H,1H3","""AuxInfo=1/0/N:1,15,16,14,8,13,6,9,12,5,2,7,10,4,11,3/E:(5,6)(8,9)/rA:16CCNCCCCCCCClCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955;CHEMBL885956,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.540;  5.990,6.265,0.275,0.275,2.0,6.265,0.275
-CCKLEWMJRSQMRL_on_P41594_WT,Low,ChEMBL30,CHEMBL440218,Cc1nc(C#Cc2ccc3nccnc3c2)cs1,CCKLEWMJRSQMRL,CCKLEWMJRSQMRL-UHFFFAOYSA-N,"InChI=1S/C14H9N3S/c1-10-17-12(9-18-10)4-2-11-3-5-13-14(8-11)16-7-6-15-13/h3,5-9H,1H3","""AuxInfo=1/0/N:1,6,8,5,9,12,13,16,17,2,7,4,10,15,11,14,3,18/rA:18CCNCCCCCCCNCCNCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;d4;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CCKOAGUGEXERIS_on_P41594_WT,Low,ChEMBL30,CHEMBL3655630,O=C(Nc1cncc(Oc2cncnc2)c1)c1ccccn1,CCKOAGUGEXERIS,CCKOAGUGEXERIS-UHFFFAOYSA-N,"InChI=1S/C15H11N5O2/c21-15(14-3-1-2-4-19-14)20-11-5-12(7-16-6-11)22-13-8-17-10-18-9-13/h1-10H,(H,20,21)","""AuxInfo=1/1/N:19,20,18,21,16,5,7,11,15,13,4,8,10,17,2,6,12,14,22,3,1,9/E:(8,9)(17,18)/rA:22OCNCCNCCOCCNCNCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CCQYXUMPQANHKF_on_P14867_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-CCQYXUMPQANHKF_on_P18507_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.050;  6.240;  7.040,6.443,0.429,0.303,3.0,6.24,0.19
-CCQYXUMPQANHKF_on_P28472_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.040;  6.240;  6.050,6.443,0.429,0.303,3.0,6.24,0.19
-CCQYXUMPQANHKF_on_P31644_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-CCQYXUMPQANHKF_on_P34903_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-CCQYXUMPQANHKF_on_P47869_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CCQYXUMPQANHKF_on_Q16445_WT,Low,ChEMBL30,CHEMBL173087,CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1,CCQYXUMPQANHKF,CCQYXUMPQANHKF-UHFFFAOYSA-N,"InChI=1S/C16H18N4O3/c1-4-8-14-9-5-12(22-2)13(23-3)6-10(9)19-11(14)7-18-15(8)16(21)20-17/h5-7,19H,4,17H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,19,22,2,16,23,6,3,15,14,5,17,20,4,8,9,12,7,13,11,10,18,21/rA:23CCCCCCNCCONNNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CCWBFMCYWDUFEF_on_P41594_WT,Low,ChEMBL30,CHEMBL1784100,O=C(N1CCN(c2ccccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2,CCWBFMCYWDUFEF,CCWBFMCYWDUFEF-UHFFFAOYSA-N,"InChI=1S/C21H27ClN2O/c22-18-3-1-2-4-19(18)23-5-7-24(8-6-23)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2","""AuxInfo=1/0/N:10,9,11,8,5,14,4,15,19,21,23,25,17,24,20,18,22,12,7,2,16,13,6,3,1/E:(5,6)(7,8)(9,10,11)(12,13,14)(15,16,17)/rA:25OCNCCNCCCCCCClCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s6;s3s14;s2;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CCXWRFYLVHVVKD_on_Q13255_WT,High,ChEMBL30,CHEMBL3634432,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2,CCXWRFYLVHVVKD,CCXWRFYLVHVVKD-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:11,1,28,29,27,15,16,12,13,4,10,5,21,25,17,3,22,9,7,19,23,26,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCFCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.840;  6.840,6.84,0.0,0.0,2.0,6.84,0.0
-CCXWRFYLVHVVKD_on_Q14833_WT,High,ChEMBL30,CHEMBL3634432,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2,CCXWRFYLVHVVKD,CCXWRFYLVHVVKD-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:11,1,28,29,27,15,16,12,13,4,10,5,21,25,17,3,22,9,7,19,23,26,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCFCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-CDCQRORTJJBNTC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892783,CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C,CDCQRORTJJBNTC,CDCQRORTJJBNTC-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O/c1-20(2)12-13-24(19(25)23(20)3)18-11-8-16(14-22-18)5-4-15-6-9-17(21)10-7-15/h6-11,14H,12-13H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,10,13,18,8,14,17,7,22,21,19,12,9,15,6,3,23,16,20,2,5,4/E:(1,2)(6,7)(9,10)/rA:25CNCONCCCCCCCCCCFCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-CDEDGCGNMLIEOR_on_Q14416_WT,High,ChEMBL30,CHEMBL3763995,COc1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C,CDEDGCGNMLIEOR,CDEDGCGNMLIEOR-UHFFFAOYSA-N,"InChI=1S/C14H20N2O2/c1-14(2,3)9-16-11-7-6-10(18-5)8-12(11)15(4)13(16)17/h6-8H,9H2,1-5H3","""AuxInfo=1/0/N:16,17,18,10,1,4,5,8,14,3,6,7,11,15,9,13,12,2/E:(1,2,3)/rA:18COCCCCCCNCCONCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s9;d11;s6s11;s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-CDLJCCPBUAVWSC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921596,CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)N1,CDLJCCPBUAVWSC,CDLJCCPBUAVWSC-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-18(2)10-11-22(17(23)21-18)16-13-19-15(12-20-16)9-8-14-6-4-3-5-7-14/h3-7,12-13H,10-11H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,3,16,15,17,14,18,12,11,4,5,19,8,13,10,7,21,2,9,20,23,6,22/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCNCCCCCCCCCCNCON/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-CDMACXOEZRVPAK_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL567584;45484973,Cc1c(-c2ccc3ccccc3c2)nnn1-c1cnccc1,CDMACXOEZRVPAK,CDMACXOEZRVPAK-UHFFFAOYSA-N,"InChI=1S/C18H14N4/c1-13-18(20-21-22(13)17-7-4-10-19-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3","""AuxInfo=1/0/N:1,9,10,21,8,11,22,6,5,20,13,18,2,7,12,4,17,3,19,14,15,16/rA:22CCCCCCCCCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s3;d14;s2s15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283;PubChemAID:446923,PMID:19692242,2009.0,PMID:19692242;PubChemAID:446923,2009;2010,1;0,0,0,0,0;1,,=,  6.520;  6.523,6.521,0.002,0.002,2.0,6.521,0.002
-CDMWCXBWOAZXHM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3959588,COc1c(F)cc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1F,CDMWCXBWOAZXHM,CDMWCXBWOAZXHM-UHFFFAOYSA-N,"InChI=1S/C24H20F2N4O2/c1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)16-8-19(25)23(32-2)20(26)9-16/h5-12H,3-4H2,1-2H3,(H2,27,31)","""AuxInfo=1/1/N:26,1,20,21,18,17,29,6,30,9,23,28,25,19,22,7,16,8,4,31,15,10,3,11,5,32,12,24,27,14,13,2/E:(8,9)(11,12)(19,20)(25,26)(28,29)/rA:32COCCFCCCCCCNONCCCCCCCCCNCCNCCCCF/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;s11;d11;d10;s14;s8d15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s15d19;s7;s3d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-CDRADZRGYBTOKU_on_P14867_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-CDRADZRGYBTOKU_on_P18507_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680432;CHEMBL680669;CHEMBL682709;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.390;  9.040;  7.540;  7.370,8.085,0.6729999999999999,0.389,4.0,7.965,0.51
-CDRADZRGYBTOKU_on_P28472_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.040;  7.370;  7.540;  8.390,8.085,0.6729999999999999,0.389,4.0,7.965,0.51
-CDRADZRGYBTOKU_on_P31644_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.040,9.04,0.0,0.0,1.0,9.04,0.0
-CDRADZRGYBTOKU_on_P34903_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-CDRADZRGYBTOKU_on_P47869_WT,Low,ChEMBL30,CHEMBL331569,Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1,CDRADZRGYBTOKU,CDRADZRGYBTOKU-UHFFFAOYSA-N,"InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,29,31,28,32,24,17,14,2,30,27,23,18,15,10,11,9,6,12,5,16,33,8,7,25,3,26,13,4/E:(6,7)(8,9)/rA:33CCNOCCNNCCCCOCCNCCCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d12;s6s9s25;s11;s27;s28;s10s29;s30;s27s31;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CDWXZILKRXSANI_on_P14867_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-CDWXZILKRXSANI_on_P18507_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.610;  6.680;  7.910;  8.410,7.652,0.63,0.364,4.0,7.76,0.4
-CDWXZILKRXSANI_on_P28472_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.910;  8.410;  6.680;  7.610,7.652,0.63,0.364,4.0,7.76,0.4
-CDWXZILKRXSANI_on_P31644_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-CDWXZILKRXSANI_on_P34903_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-CDWXZILKRXSANI_on_P47869_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-CDWXZILKRXSANI_on_Q16445_WT,Low,ChEMBL30,CHEMBL439945,Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,CDWXZILKRXSANI,CDWXZILKRXSANI-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CDXBVWTZDYENGE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3961599,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cc(Cl)nc(C(F)(F)F)c2)c3)cn1,CDXBVWTZDYENGE,CDXBVWTZDYENGE-UHFFFAOYSA-N,"InChI=1S/C21H15ClF3N5O/c1-30-10-13(9-27-30)15-8-17(20(26)31)28-16-5-11(2-3-14(15)16)4-12-6-18(21(23,24)25)29-19(22)7-12/h2-3,5-10H,4H2,1H3,(H2,26,31)","""AuxInfo=1/1/N:1,15,14,17,29,28,19,6,30,3,16,18,4,13,5,12,7,23,20,8,24,21,25,26,27,9,31,11,22,2,10/E:(23,24,25)/rA:31CNCCCCCCNONCCCCCCCCCClNCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;s20;d20;s22;s23;s24;s24;s24;s18d23;s12d16;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-CDXXGYBOTBOLGG_on_Q05586_WT,Low,ChEMBL30,CHEMBL4215686,CN(C)C(=O)Cn1cc(Cl)c2c1cc(-c1cccc(C(F)F)c1)cn2,CDXXGYBOTBOLGG,CDXXGYBOTBOLGG-UHFFFAOYSA-N,"InChI=1S/C18H16ClF2N3O/c1-23(2)16(25)10-24-9-14(19)17-15(24)7-13(8-22-17)11-4-3-5-12(6-11)18(20)21/h3-9,18H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,23,13,24,8,6,15,19,14,9,12,4,11,20,10,21,22,25,2,7,5/E:(1,2)(20,21)/rA:25CNCCOCNCCClCCCCCCCCCCFFCCN/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s9;s7d11;s12;d13;s14;d15;s16;d17;s18;s19;s20;s20;s15d19;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-CDXXGYBOTBOLGG_on_Q13224_WT,Low,ChEMBL30,CHEMBL4215686,CN(C)C(=O)Cn1cc(Cl)c2c1cc(-c1cccc(C(F)F)c1)cn2,CDXXGYBOTBOLGG,CDXXGYBOTBOLGG-UHFFFAOYSA-N,"InChI=1S/C18H16ClF2N3O/c1-23(2)16(25)10-24-9-14(19)17-15(24)7-13(8-22-17)11-4-3-5-12(6-11)18(20)21/h3-9,18H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,23,13,24,8,6,15,19,14,9,12,4,11,20,10,21,22,25,2,7,5/E:(1,2)(20,21)/rA:25CNCCOCNCCClCCCCCCCCCCFFCCN/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s9;s7d11;s12;d13;s14;d15;s16;d17;s18;s19;s20;s20;s15d19;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-CDYAULNOJRPJMB_on_Q14833_WT,High,ChEMBL30,CHEMBL2023456,Clc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,CDYAULNOJRPJMB,CDYAULNOJRPJMB-UHFFFAOYSA-N,InChI=1S/C18H12ClN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H,"""AuxInfo=1/0/N:13,12,14,11,15,3,4,18,19,22,17,8,7,2,10,6,5,21,1,20,16,9/E:(2,3)(4,5)/rA:22ClCCCCCCCNCCCCCCNCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s7d16;d6;s18;d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-CDYWYBPJJSBVOC_on_P41594_WT,Medium,ChEMBL30,CHEMBL185829,Fc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c(F)ccc1,CDYWYBPJJSBVOC,CDYWYBPJJSBVOC-UHFFFAOYSA-N,InChI=1S/C18H11F2N5/c19-14-7-4-8-15(20)17(14)12-5-3-6-13(11-12)25-23-18(22-24-25)16-9-1-2-10-21-16/h1-11H,"""AuxInfo=1/0/N:17,16,6,24,5,7,23,25,18,15,20,4,8,21,2,13,3,12,22,1,14,11,19,10,9/E:(7,8)(14,15)(19,20)/rA:25FCCCCCCCNNNCCNCCCCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s9d12;s4d8;s3;s21;d21;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-CEBHOGXHBHHBFQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760304,CCCCOc1cccc(C2(N3CCCCC3)CCCCC2)c1,CEBHOGXHBHHBFQ,CEBHOGXHBHHBFQ-UHFFFAOYSA-N,"InChI=1S/C21H33NO/c1-2-3-17-23-20-12-10-11-19(18-20)21(13-6-4-7-14-21)22-15-8-5-9-16-22/h10-12,18H,2-9,13-17H2,1H3","""AuxInfo=1/0/N:1,2,3,20,15,19,21,14,16,8,9,7,18,22,13,17,4,23,10,6,11,12,5/E:(6,7)(8,9)(13,14)(15,16)/rA:23CCCCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s11s21;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160;CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.700;  4.700,5.2,0.5,0.5,2.0,5.2,0.5
-CEBHOGXHBHHBFQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760304,CCCCOc1cccc(C2(N3CCCCC3)CCCCC2)c1,CEBHOGXHBHHBFQ,CEBHOGXHBHHBFQ-UHFFFAOYSA-N,"InChI=1S/C21H33NO/c1-2-3-17-23-20-12-10-11-19(18-20)21(13-6-4-7-14-21)22-15-8-5-9-16-22/h10-12,18H,2-9,13-17H2,1H3","""AuxInfo=1/0/N:1,2,3,20,15,19,21,14,16,8,9,7,18,22,13,17,4,23,10,6,11,12,5/E:(6,7)(8,9)(13,14)(15,16)/rA:23CCCCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s11s21;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CEBHOGXHBHHBFQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760304,CCCCOc1cccc(C2(N3CCCCC3)CCCCC2)c1,CEBHOGXHBHHBFQ,CEBHOGXHBHHBFQ-UHFFFAOYSA-N,"InChI=1S/C21H33NO/c1-2-3-17-23-20-12-10-11-19(18-20)21(13-6-4-7-14-21)22-15-8-5-9-16-22/h10-12,18H,2-9,13-17H2,1H3","""AuxInfo=1/0/N:1,2,3,20,15,19,21,14,16,8,9,7,18,22,13,17,4,23,10,6,11,12,5/E:(6,7)(8,9)(13,14)(15,16)/rA:23CCCCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s11s21;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-CECZFVBWWSNUII_on_P14867_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CECZFVBWWSNUII_on_P18507_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.180;  8.110;  6.750,7.347,0.568,0.401,3.0,7.18,0.43
-CECZFVBWWSNUII_on_P28472_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.110;  7.180;  6.750,7.347,0.568,0.401,3.0,7.18,0.43
-CECZFVBWWSNUII_on_P31644_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-CECZFVBWWSNUII_on_P34903_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-CECZFVBWWSNUII_on_P47869_WT,Low,ChEMBL30,CHEMBL434138,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,CECZFVBWWSNUII,CECZFVBWWSNUII-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-28-27-23(30(24)29-25)20-7-2-1-3-8-20/h1-8,13,18-19H,9-12,15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31NCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-CEEIIGPEJDLELP_on_P14867_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-CEEIIGPEJDLELP_on_P18507_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678745;CHEMBL678741;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850;  7.410;  6.920;  6.800,6.995,0.243,0.141,4.0,6.885,0.06
-CEEIIGPEJDLELP_on_P28472_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678741;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850;  6.920;  6.800;  7.410,6.995,0.243,0.141,4.0,6.885,0.06
-CEEIIGPEJDLELP_on_P31644_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-CEEIIGPEJDLELP_on_P34903_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-CEEIIGPEJDLELP_on_P47869_WT,Low,ChEMBL30,CHEMBL300018,COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CEEIIGPEJDLELP,CEEIIGPEJDLELP-UHFFFAOYSA-N,"InChI=1S/C16H12N4O/c1-21-16-13-10-6-5-9-12(13)15-18-17-14(20(15)19-16)11-7-3-2-4-8-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,20,19,8,12,21,18,7,16,17,6,15,3,13,14,4,5,2/E:(3,4)(7,8)/rA:21COCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s5d14;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-CEGIJZFEIDUTNC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921182,O=C1CS(=O)(=O)CCN1c1ccc(C#Cc2ccccc2)cn1,CEGIJZFEIDUTNC,CEGIJZFEIDUTNC-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3S/c20-17-13-23(21,22)11-10-19(17)16-9-8-15(12-18-16)7-6-14-4-2-1-3-5-14/h1-5,8-9,12H,10-11,13H2","""AuxInfo=1/0/N:19,18,20,17,21,15,14,12,11,8,7,22,3,16,13,10,2,23,9,1,5,6,4/E:(2,3)(4,5)(21,22)/CRV:23.6/rA:23OCCSOOCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;d4;s4;s7;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CEHVVLAUAIANGP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087218;72545550,COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C#N)c1)C2,CEHVVLAUAIANGP,CEHVVLAUAIANGP-UHFFFAOYSA-N,"InChI=1S/C18H18N2O3/c1-23-17(21)20-15-5-6-16(20)11-18(22,10-15)8-7-13-3-2-4-14(9-13)12-19/h2-4,9,15-16,22H,5-6,10-11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,7,8,14,13,22,23,10,20,15,19,6,9,3,11,21,5,4,12,2/E:(5,6)(10,11)(15,16)/rA:23COCONCCCCCCOCCCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;t20;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  6.730;  6.728,6.729,0.001,0.001,2.0,6.729,0.001
-CEJVVRHTVXTMIG_on_P41594_WT,Low,ChEMBL30,CHEMBL1783875,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,CEJVVRHTVXTMIG,CEJVVRHTVXTMIG-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h1,4-8,10-11H,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,4,8,14,16,25,11/E:(4,5)(6,7)/rA:25CCCNCCCNCCSCCNCNCCCCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CEJVVRHTVXTMIG_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,23634169;CHEMBL1783875,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,CEJVVRHTVXTMIG,CEJVVRHTVXTMIG-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h1,4-8,10-11H,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,4,8,14,16,25,11/E:(4,5)(6,7)/rA:25CCCNCCCNCCSCCNCNCCCCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.824;  8.820,8.822000000000001,0.002,0.002,2.0,8.822000000000001,0.002
-CEKLYQQZGFQPAC_on_P14867_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CEKLYQQZGFQPAC_on_P18507_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL678741;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.470;  6.720;  7.750;  6.580,6.88,0.51,0.294,4.0,6.65,0.125
-CEKLYQQZGFQPAC_on_P28472_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678745;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.580;  7.750;  6.470;  6.720,6.88,0.51,0.294,4.0,6.65,0.125
-CEKLYQQZGFQPAC_on_P31644_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-CEKLYQQZGFQPAC_on_P34903_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-CEKLYQQZGFQPAC_on_P47869_WT,Low,ChEMBL30,CHEMBL301336,c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,CEKLYQQZGFQPAC,CEKLYQQZGFQPAC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)14-20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-17-10-6-7-13-23-17/h1-13H,14-15H2","""AuxInfo=1/0/N:1,2,28,14,13,23,22,3,27,24,15,12,21,5,18,4,19,10,11,6,9,16,20,7,8,25,26,17/E:(2,3)(8,9)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-CELFESKDAXZKDL_on_O00591_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3375240;CHEMBL3375238;CHEMBL3375239;CHEMBL3375241;CHEMBL3375242;CHEMBL3375237,PMID:25226229,2014.0,PMID:25226229,2014,1;0;0;1;1;0,0,0,0;1;1;0;0;1,0,,=,  6.200;  6.900;  6.930;  6.270;  6.440;  6.830,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_O14764_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3375239;CHEMBL3375242;CHEMBL3375240;CHEMBL3375241;CHEMBL3375237;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,0;1;1;1;0;0,0,0,1;0;0;0;1;1,0,,=,  6.930;  6.440;  6.200;  6.270;  6.830;  6.900,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P14867_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3375239;CHEMBL3375240;CHEMBL3375237;CHEMBL3375238;CHEMBL3375242;CHEMBL3375241,PMID:25226229,2014.0,PMID:25226229,2014,0;1;0;0;1;1,0,0,1;0;1;1;0;0,0,,=,  6.930;  6.200;  6.830;  6.900;  6.440;  6.270,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P18505_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3375238;CHEMBL3375239;CHEMBL3375241;CHEMBL3375237;CHEMBL3375242;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,0;0;1;0;1;1,0,0,1;1;0;1;0;0,0,,=,  6.900;  6.930;  6.270;  6.830;  6.440;  6.200,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P18507_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3375239;CHEMBL3375242;CHEMBL3375241;CHEMBL3375237;CHEMBL3375240;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,0;1;1;0;1;0,0,0,1;0;0;1;0;1,0,,=,  6.930;  6.440;  6.270;  6.830;  6.200;  6.900,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P28472_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3375237;CHEMBL3375240;CHEMBL3375238;CHEMBL3375241;CHEMBL3375242;CHEMBL3375239,PMID:25226229,2014.0,PMID:25226229,2014,0;1;0;1;1;0,0,0,1;0;1;0;0;1,0,,=,  6.830;  6.200;  6.900;  6.270;  6.440;  6.930,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P31644_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3375239;CHEMBL3375242;CHEMBL3375240;CHEMBL3375238;CHEMBL3375237;CHEMBL3375241,PMID:25226229,2014.0,PMID:25226229,2014,0;1;1;0;0;1,0,0,1;0;0;1;1;0,0,,=,  6.930;  6.440;  6.200;  6.900;  6.830;  6.270,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P34903_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3375237;CHEMBL3375240;CHEMBL3375241;CHEMBL3375238;CHEMBL3375239;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,0;1;1;0;0;1,0,0,1;0;0;1;1;0,0,,=,  6.830;  6.200;  6.270;  6.900;  6.930;  6.440,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P47869_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3375241;CHEMBL3375242;CHEMBL3375237;CHEMBL3375238;CHEMBL3375240;CHEMBL3375239,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;0;1;0,0,0,0;0;1;1;0;1,0,,=,  6.270;  6.440;  6.830;  6.900;  6.200;  6.930,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P47870_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3375237;CHEMBL3375238;CHEMBL3375239;CHEMBL3375240;CHEMBL3375242;CHEMBL3375241,PMID:25226229,2014.0,PMID:25226229,2014,0;0;0;1;1;1,0,0,1;1;1;0;0;0,0,,=,  6.830;  6.900;  6.930;  6.200;  6.440;  6.270,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P48169_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3375240;CHEMBL3375238;CHEMBL3375241;CHEMBL3375242;CHEMBL3375239;CHEMBL3375237,PMID:25226229,2014.0,PMID:25226229,2014,1;0;1;1;0;0,0,0,0;1;0;0;1;1,0,,=,  6.200;  6.900;  6.270;  6.440;  6.930;  6.830,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_P78334_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3375240;CHEMBL3375238;CHEMBL3375239;CHEMBL3375237;CHEMBL3375241;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,1;0;0;0;1;1,0,0,0;1;1;1;0;0,0,,=,  6.200;  6.900;  6.930;  6.830;  6.270;  6.440,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3375241;CHEMBL3375242;CHEMBL3375237;CHEMBL3375239;CHEMBL3375238;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;0;0;1,0,0,0;0;1;1;1;0,0,,=,  6.270;  6.440;  6.830;  6.930;  6.900;  6.200,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3375237;CHEMBL3375238;CHEMBL3375242;CHEMBL3375241;CHEMBL3375239;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,0;0;1;1;0;1,0,0,1;1;0;0;1;0,0,,=,  6.830;  6.900;  6.440;  6.270;  6.930;  6.200,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_Q16445_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3375241;CHEMBL3375237;CHEMBL3375239;CHEMBL3375242;CHEMBL3375240;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,1;0;0;1;1;0,0,0,0;1;1;0;0;1,0,,=,  6.270;  6.830;  6.930;  6.440;  6.200;  6.900,6.595,0.302,0.135,6.0,6.635,0.28
-CELFESKDAXZKDL_on_Q99928_WT,Low,ChEMBL30,CHEMBL3329355,CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1,CELFESKDAXZKDL,CELFESKDAXZKDL-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3S/c1-2-3-4-5-9-19-14(17-18-15(19)20)11-12-7-6-8-13(16)10-12/h6-8,10H,2-5,9,11H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,2,3,4,5,19,20,18,6,15,13,14,16,12,8,17,11,10,7,9/rA:20CCCCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d8;s10;s7d11;s12;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3375240;CHEMBL3375241;CHEMBL3375237;CHEMBL3375239;CHEMBL3375242;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;0;1;0,0,0,0;0;1;1;0;1,0,,=,  6.200;  6.270;  6.830;  6.930;  6.440;  6.900,6.595,0.302,0.135,6.0,6.635,0.28
-CEMUKLXXZBFFNQ_on_Q13224_WT,High,ChEMBL30,CHEMBL25858,c1ccc(CCCNC2CCc3c(cccc3)C2)cc1,CEMUKLXXZBFFNQ,CEMUKLXXZBFFNQ-UHFFFAOYSA-N,"InChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2","""AuxInfo=1/0/N:1,2,20,16,15,6,3,19,5,17,14,11,10,7,18,4,12,13,9,8/E:(2,3)(7,8)/rA:20CCCCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4685218,PMID:32070917,2020.0,PMID:32070917,2020,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-CEQFGBDWPIJQAJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3628281,CC1(C)C2C(=O)N(c3c(Cl)cc(NC(=O)c4ncccc4)cc3)C(=O)C21,CEQFGBDWPIJQAJ,CEQFGBDWPIJQAJ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-19(2)14-15(19)18(26)23(17(14)25)13-7-6-10(9-11(13)20)22-16(24)12-5-3-4-8-21-12/h3-9,14-15H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,20,19,21,22,23,18,11,12,9,16,8,4,26,14,5,24,2,10,17,13,7,15,6,25/E:(1,2)(14,15)(17,18)(25,26)/rA:26CCCCCONCCClCCNCOCNCCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s8d22;s7;d24;s2s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631963,PMID:26426481,2015.0,PMID:26426481,2015,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-CEQFGBDWPIJQAJ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1711049;46869949,CC1(C)C2C(=O)N(c3c(Cl)cc(NC(=O)c4ncccc4)cc3)C(=O)C21,CEQFGBDWPIJQAJ,CEQFGBDWPIJQAJ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-19(2)14-15(19)18(26)23(17(14)25)13-7-6-10(9-11(13)20)22-16(24)12-5-3-4-8-21-12/h3-9,14-15H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,20,19,21,22,23,18,11,12,9,16,8,4,26,14,5,24,2,10,17,13,7,15,6,25/E:(1,2)(14,15)(17,18)(25,26)/rA:26CCCCCONCCClCCNCOCNCCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s8d22;s7;d24;s2s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408,2011;2012,0,1;0,0,0,0;1,,=,  6.360;  6.362,6.361000000000001,0.001,0.001,2.0,6.361000000000001,0.001
-CEQZVMIHPFXAMJ_on_P41594_WT,Low,ChEMBL30,CHEMBL1093902,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C(F)(F)F)n4)c2=O)cc1,CEQZVMIHPFXAMJ,CEQZVMIHPFXAMJ-UHFFFAOYSA-N,"InChI=1S/C16H10F3N5OS/c1-7-2-4-8(5-3-7)24-6-21-10-9-12(20)22-15(16(17,18)19)23-13(9)26-11(10)14(24)25/h2-6H,1H3,(H2,20,22,23)","""AuxInfo=1/1/N:1,3,26,4,25,7,2,5,13,9,10,14,12,23,17,18,19,20,21,15,8,16,22,6,24,11/E:(2,3)(4,5)(17,18,19)/rA:26CCCCCNCNCCSCCCNNCCFFFNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;s18;s18;s12d17;s6s10;d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CEQZVMIHPFXAMJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL1093902,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C(F)(F)F)n4)c2=O)cc1,CEQZVMIHPFXAMJ,CEQZVMIHPFXAMJ-UHFFFAOYSA-N,"InChI=1S/C16H10F3N5OS/c1-7-2-4-8(5-3-7)24-6-21-10-9-12(20)22-15(16(17,18)19)23-13(9)26-11(10)14(24)25/h2-6H,1H3,(H2,20,22,23)","""AuxInfo=1/1/N:1,3,26,4,25,7,2,5,13,9,10,14,12,23,17,18,19,20,21,15,8,16,22,6,24,11/E:(2,3)(4,5)(17,18,19)/rA:26CCCCCNCNCCSCCCNNCCFFFNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;s18;s18;s12d17;s6s10;d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CERMPQZHTUYWEK_on_P18507_WT,Low,ChEMBL30,CHEMBL578816,Cc1c2Cn3c(C)cnc3-c3c(ccc(Br)c3)-n2cn1,CERMPQZHTUYWEK,CERMPQZHTUYWEK-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-17-15-12-5-11(16)3-4-13(12)20-8-18-10(2)14(20)7-19(9)15/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:7,1,14,13,17,8,4,19,6,2,15,11,12,3,10,16,9,20,5,18/rA:20CCCCNCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-CERMPQZHTUYWEK_on_P28472_WT,Low,ChEMBL30,CHEMBL578816,Cc1c2Cn3c(C)cnc3-c3c(ccc(Br)c3)-n2cn1,CERMPQZHTUYWEK,CERMPQZHTUYWEK-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-17-15-12-5-11(16)3-4-13(12)20-8-18-10(2)14(20)7-19(9)15/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:7,1,14,13,17,8,4,19,6,2,15,11,12,3,10,16,9,20,5,18/rA:20CCCCNCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-CERMPQZHTUYWEK_on_P31644_WT,Low,ChEMBL30,CHEMBL578816,Cc1c2Cn3c(C)cnc3-c3c(ccc(Br)c3)-n2cn1,CERMPQZHTUYWEK,CERMPQZHTUYWEK-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-17-15-12-5-11(16)3-4-13(12)20-8-18-10(2)14(20)7-19(9)15/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:7,1,14,13,17,8,4,19,6,2,15,11,12,3,10,16,9,20,5,18/rA:20CCCCNCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-CEVKZFNMCSPFRC_on_O00591_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_O14764_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P14867_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P18505_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P18507_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P28472_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P31644_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P34903_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P47869_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P47870_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P48169_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_P78334_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_Q16445_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEVKZFNMCSPFRC_on_Q99928_WT,Low,ChEMBL30,CHEMBL60932,Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1,CEVKZFNMCSPFRC,CEVKZFNMCSPFRC-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-13-17(21(25)26-12-14-8-4-3-5-9-14)19(22)18-15-10-6-7-11-16(15)24(2)20(18)23-13/h3-11H,12H2,1-2H3,(H2,22,23)","""AuxInfo=1/1/N:1,24,11,10,12,21,20,9,13,22,19,7,2,8,17,18,3,16,14,25,4,15,26,23,5,6/E:(4,5)(8,9)/rA:26CCCCOOCCCCCCCCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s8d12;s3;s14;d14;s16;d17;s18;d19;s20;s17d21;s18;s23;s16s23;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CEXONXJNISGFPJ_on_P41594_WT,High,ChEMBL30,CHEMBL2346711,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(Cl)n1,CEXONXJNISGFPJ,CEXONXJNISGFPJ-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-5-3-4-13(18)20-14)22-23(2)16(10)11-6-8-12(19)9-7-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,20,21,19,5,10,6,9,2,4,7,22,18,14,3,15,23,8,24,17,13,11,16/E:(6,7)(8,9)/rA:24CCCCCCCFCCNCNCCONCCCCCClN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-CEYJFLYLTZLCLD_on_P41594_WT,Low,ChEMBL30,CHEMBL3597588,O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1,CEYJFLYLTZLCLD,CEYJFLYLTZLCLD-UHFFFAOYSA-N,"InChI=1S/C22H20N4O3/c27-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)25-15-13-24(14-16-25)21-20(26(28)29)7-4-12-23-21/h1-12H,13-16H2","""AuxInfo=1/0/N:10,9,11,22,8,12,23,5,13,4,14,21,17,28,16,29,7,6,3,24,19,2,20,18,15,25,1,26,27/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)(28,29)/CRV:26.5/rA:29OCCCCCCCCCCCCCNCCNCNCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s6;s3d13;s2;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s25;s18;s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CEYYRHMGNJNJEA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800605,Cc1c(C2CC2CO)n2c(=O)cc(Cc3c(F)c(C(F)(F)F)ccc3)nc2s1,CEYYRHMGNJNJEA,CEYYRHMGNJNJEA-UHFFFAOYSA-N,"InChI=1S/C19H16F4N2O2S/c1-9-17(13-6-11(13)8-26)25-15(27)7-12(24-18(25)28-9)5-10-3-2-4-14(16(10)20)19(21,22)23/h2-4,7,11,13,26H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,24,25,23,14,5,12,7,2,15,6,13,4,18,10,16,3,27,19,17,20,21,22,26,9,8,11,28/E:(21,22,23)/rA:28CCCCCCCONCOCCCCCFCCFFFCCCNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;d15;s16;s16;s18;s19;s19;s19;d18;s23;s15d24;s13;s9d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-CEYYRHMGNJNJEA_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800605,Cc1c(C2CC2CO)n2c(=O)cc(Cc3c(F)c(C(F)(F)F)ccc3)nc2s1,CEYYRHMGNJNJEA,CEYYRHMGNJNJEA-UHFFFAOYSA-N,"InChI=1S/C19H16F4N2O2S/c1-9-17(13-6-11(13)8-26)25-15(27)7-12(24-18(25)28-9)5-10-3-2-4-14(16(10)20)19(21,22)23/h2-4,7,11,13,26H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,24,25,23,14,5,12,7,2,15,6,13,4,18,10,16,3,27,19,17,20,21,22,26,9,8,11,28/E:(21,22,23)/rA:28CCCCCCCONCOCCCCCFCCFFFCCCNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;d15;s16;s16;s18;s19;s19;s19;d18;s23;s15d24;s13;s9d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-CFBXGUAIUQHYKH_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1098388;46887319,Cc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,CFBXGUAIUQHYKH,CFBXGUAIUQHYKH-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-13-6-5-9-15(10-13)20-12-16-11-18(17(19)21-16)14-7-3-2-4-8-14/h2-10,16H,11-12H2,1H3","""AuxInfo=1/0/N:1,13,12,14,20,21,11,15,19,3,8,6,2,10,4,7,16,9,17,5,18/E:(3,4)(7,8)/rA:21CCCCOCCCNCCCCCCCOOCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;d16;s7s16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.460;  5.463,5.462000000000001,0.002,0.002,2.0,5.462000000000001,0.002
-CFGBNDMYCLEAFH_on_O00591_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_O14764_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P14867_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P18505_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P18507_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P28472_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P31644_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P34903_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P47869_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P47870_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P48169_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_P78334_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_Q16445_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGBNDMYCLEAFH_on_Q99928_WT,Low,ChEMBL30,CHEMBL131910,Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1,CFGBNDMYCLEAFH,CFGBNDMYCLEAFH-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)15(16)18(17-11)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,6,15,19,7,5,20,2,14,13,8,11,12,3,4,9,10/E:(3,4)(6,7)(19,20)/rA:20CCNNCCCCOOCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s4;d11;s11;s13;d14;s15;d16;s17;s14d18;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-CFGXSLFUPKEOSD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76321786;CHEMBL3122225,CC1CCCN1C(=O)c1nn(C)c2c1ccc(OCc1ccccn1)n2,CFGXSLFUPKEOSD,CFGXSLFUPKEOSD-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-13-6-5-11-24(13)19(25)17-15-8-9-16(21-18(15)23(2)22-17)26-12-14-7-3-4-10-20-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3","""AuxInfo=1/0/N:1,12,22,23,4,3,21,15,16,24,5,19,2,20,14,17,9,13,7,25,26,10,11,6,8,18/rA:26CCCCCNCOCNNCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;d9;s10;s11;s11;s9d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1071426;CHEMBL3124717,PMID:24392688,2014.0,PubChemAID:1071426;PMID:24392688,2014,0,0,0,0;1,1;0,,=,  8.180;  8.180,8.18,0.0,0.0,2.0,8.18,0.0
-CFGXSLFUPKEOSD_on_Q13255_WT,High,ChEMBL30,CHEMBL3122225,CC1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12,CFGXSLFUPKEOSD,CFGXSLFUPKEOSD-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-13-6-5-11-24(13)19(25)17-15-8-9-16(21-18(15)23(2)22-17)26-12-14-7-3-4-10-20-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3","""AuxInfo=1/0/N:1,12,20,21,4,3,19,25,24,22,5,17,2,18,26,15,9,13,7,23,14,10,11,6,8,16/rA:26CCCCCNCOCNNCCNCOCCCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;d9;s10;s11;s11;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s24;s9s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,=,  4.530,4.53,0.0,0.0,1.0,4.53,0.0
-CFHGKTQPFHVLQX_on_P14867_WT,Medium,ChEMBL30,CHEMBL147312,Cc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,CFHGKTQPFHVLQX,CFHGKTQPFHVLQX-UHFFFAOYSA-N,"InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,20,19,21,18,22,3,28,4,27,24,23,16,14,7,2,17,5,13,12,6,25,9,26,11,15,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s8s13;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CFHGKTQPFHVLQX_on_P31644_WT,Medium,ChEMBL30,CHEMBL147312,Cc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,CFHGKTQPFHVLQX,CFHGKTQPFHVLQX-UHFFFAOYSA-N,"InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,20,19,21,18,22,3,28,4,27,24,23,16,14,7,2,17,5,13,12,6,25,9,26,11,15,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s8s13;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-CFHGKTQPFHVLQX_on_P34903_WT,Medium,ChEMBL30,CHEMBL147312,Cc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,CFHGKTQPFHVLQX,CFHGKTQPFHVLQX-UHFFFAOYSA-N,"InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,20,19,21,18,22,3,28,4,27,24,23,16,14,7,2,17,5,13,12,6,25,9,26,11,15,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s8s13;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-CFHGKTQPFHVLQX_on_P47869_WT,Medium,ChEMBL30,CHEMBL147312,Cc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1,CFHGKTQPFHVLQX,CFHGKTQPFHVLQX-UHFFFAOYSA-N,"InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,20,19,21,18,22,3,28,4,27,24,23,16,14,7,2,17,5,13,12,6,25,9,26,11,15,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCCCCNCONCCCNCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s8s13;s6d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-CFHLROMIEPTBTD_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771683,Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCCCC3)n2)ccc1,CFHLROMIEPTBTD,CFHLROMIEPTBTD-UHFFFAOYSA-N,"InChI=1S/C21H27N3O2/c1-15-8-7-11-17(14-15)19-22-20(26-23-19)18-12-5-6-13-24(18)21(25)16-9-3-2-4-10-16/h7-8,11,14,16,18H,2-6,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,20,19,21,11,12,25,26,18,22,24,10,13,3,2,17,4,9,5,8,15,23,6,14,16,7/E:(3,4)(9,10)/rA:26CCCCCNOCCCCCCNCOCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;s17;s18;s19;s20;s17s21;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CFHPFTHTFUZXBT_on_Q13255_WT,High,ChEMBL30,CHEMBL1784080,C#CC(C)(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,CFHPFTHTFUZXBT,CFHPFTHTFUZXBT-UHFFFAOYSA-N,"InChI=1S/C21H18N4OS/c1-5-21(3,4)24-15-10-11-22-19-16(15)17-18(27-19)20(26)25(12-23-17)14-8-6-13(2)7-9-14/h1,6-12H,2-4H3,(H,22,24)","""AuxInfo=1/1/N:1,23,4,5,2,21,24,20,25,12,11,17,22,19,7,8,15,14,9,26,3,10,16,6,18,27,13/E:(3,4)(6,7)(8,9)/rA:27CCCCCNCCCNCCSCCNCNCCCCCCCCO/rB:t1;s2;s3;s3;s3;s6;d7;s8;d9;s10;s7d11;s9;s13;s8d14;s15;d16;s17;s18;d19;s20;d21;s22;s22;s19d24;s14s18;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CFKXVMRXBWBPOO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893315,O=C(c1ccc(F)cc1F)N1CCn2nc(COc3ccccc3)cc2C1,CFKXVMRXBWBPOO,CFKXVMRXBWBPOO-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-14-6-7-18(19(22)10-14)20(26)24-8-9-25-16(12-24)11-15(23-25)13-27-17-4-2-1-3-5-17/h1-7,10-11H,8-9,12-13H2","""AuxInfo=1/0/N:22,21,23,20,24,5,4,12,13,8,25,27,17,6,16,26,19,3,9,2,7,10,15,11,14,1,18/E:(2,3)(4,5)/rA:27OCCCCCFCCFNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s9;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s14d25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-CFMPKKXOXYNZHF_on_P14867_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-CFMPKKXOXYNZHF_on_P18507_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273620;CHEMBL1273618;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.360;  8.350;  8.250;  5.700;  5.700;  7.330,7.282,1.172,0.524,6.0,7.79,0.565
-CFMPKKXOXYNZHF_on_P28472_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273616;CHEMBL1273615;CHEMBL1273617;CHEMBL1273620;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.330;  8.350;  8.360;  8.250;  5.700;  5.700,7.282,1.172,0.524,6.0,7.79,0.565
-CFMPKKXOXYNZHF_on_P31644_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-CFMPKKXOXYNZHF_on_P34903_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-CFMPKKXOXYNZHF_on_P47869_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-CFMPKKXOXYNZHF_on_P48169_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CFMPKKXOXYNZHF_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269816,CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,CFMPKKXOXYNZHF,CFMPKKXOXYNZHF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,21,22,15,16,13,24,8,14,12,23,11,6,9,4,7,10,5,3,17/E:(2,3,4)/rA:24CCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;t15;s16;s17;s17;s17;s14;s11d21;s9s12;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CFPBXYUWXALJIR_on_P41594_WT,High,ChEMBL30,CHEMBL2346716,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccc(Cl)cn1,CFPBXYUWXALJIR,CFPBXYUWXALJIR-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-8-5-12(18)9-20-14)22-23(2)16(10)11-3-6-13(19)7-4-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,20,6,9,19,23,2,4,21,7,18,14,3,15,22,8,24,17,13,11,16/E:(3,4)(6,7)/rA:24CCCCCCCFCCNCNCCONCCCCClCN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CFSOJZTUTOQNIA_on_P14867_WT,Medium,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886;CHEMBL952530,PMID:8568803,1996.0,PMID:18537233;PMID:17626010,2008;2007,0,0;1,1;0,0,0,,=,  8.480;  8.960,8.72,0.24,0.24,2.0,8.72,0.24
-CFSOJZTUTOQNIA_on_P18507_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676825;CHEMBL681248;CHEMBL678740;CHEMBL678746;CHEMBL681844;CHEMBL677845;CHEMBL676827;CHEMBL677846;CHEMBL681840;CHEMBL681480;CHEMBL822165;CHEMBL824296;CHEMBL683045;CHEMBL942245;CHEMBL823916;CHEMBL683047;CHEMBL824050;CHEMBL685338;CHEMBL679465;CHEMBL685345;CHEMBL678329;CHEMBL682251,PMID:8145225,1994.0,PMID:8627617;PMID:10633039;PMID:8627617;PMID:14667209;PMID:14667209;PMID:8627617;PMID:14667209;PMID:14667209;PMID:8627617;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:18973287;PMID:9767648;PMID:9767648;PMID:8145225;PMID:9767648;PMID:8568803;PMID:8568803;PMID:10633039;PMID:10633039,1996;2000;1996;2003;2003;1996;2003;2003;1996;2000;1998;1998;2000;2008;1998;1998;1994;1998;1996;1996;2000;2000,0,0,0,1,0,,=,  8.480;  8.590;  8.600;  9.520;  8.590;  8.420;  7.480;  8.420;  8.590;  9.520;  8.480;  8.590;  8.420;  8.290;  8.600;  8.420;  8.270;  9.570;  7.820;  8.270;  8.480;  8.600,8.546,0.473,0.10300000000000001,22.0,8.48,0.115
-CFSOJZTUTOQNIA_on_P28472_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676827;CHEMBL678746;CHEMBL677846;CHEMBL681844;CHEMBL681480;CHEMBL683045;CHEMBL822165;CHEMBL681248;CHEMBL683047;CHEMBL824296;CHEMBL823916;CHEMBL682251;CHEMBL678329;CHEMBL685338,PMID:9767648,1998.0,PMID:14667209;PMID:14667209;PMID:14667209;PMID:14667209;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648,2003;2003;2003;2003;2000;2000;1998;2000;1998;1998;1998;2000;2000;1998,0,0,0,1,0,,=,  7.480;  9.520;  8.420;  8.590;  9.520;  8.420;  8.480;  8.590;  8.420;  8.590;  8.600;  8.600;  8.480;  9.570,8.663,0.532,0.147,14.0,8.59,0.14
-CFSOJZTUTOQNIA_on_P31644_WT,Medium,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL942244;CHEMBL991887,PMID:9767648,1998.0,PMID:18973287;PMID:18537233,2008,0,0,0;1,1;0,0,,=,  8.510;  8.420,8.465,0.045,0.045,2.0,8.465,0.045
-CFSOJZTUTOQNIA_on_P34903_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916;CHEMBL678740,PMID:8627617,1996.0,PMID:10633039;PMID:9767648;PMID:8627617,2000;1998;1996,0,0,0,1,0,,=,  8.600;  8.600;  8.600,8.6,0.0,0.0,3.0,8.6,0.0
-CFSOJZTUTOQNIA_on_P47869_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248;CHEMBL681844;CHEMBL681840,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:14667209;PMID:8627617,1998;2000;2003;1996,0,0,0,1,0,,=,  8.590;  8.590;  8.590;  8.590,8.59,0.0,0.0,4.0,8.59,0.0
-CFSOJZTUTOQNIA_on_P47870_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL676825;CHEMBL677845;CHEMBL681840;CHEMBL678740;CHEMBL685345;CHEMBL679465;CHEMBL942245;CHEMBL824050,PMID:8145225,1994.0,PMID:8627617;PMID:8627617;PMID:8627617;PMID:8627617;PMID:8568803;PMID:8568803;PMID:18973287;PMID:8145225,1996;1996;1996;1996;1996;1996;2008;1994,0,0,0,1,0,,=,  8.480;  8.420;  8.590;  8.600;  8.270;  7.820;  8.290;  8.270,8.343,0.23399999999999999,0.08900000000000001,8.0,8.355,0.105
-CFSOJZTUTOQNIA_on_Q16445_WT,Low,ChEMBL30,CHEMBL6597,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1,CFSOJZTUTOQNIA,CFSOJZTUTOQNIA-UHFFFAOYSA-N,"InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,17,13,14,7,6,11,4,20,24,18,19,9,22,12,5,3/CRV:19.5/rA:24CCOCOCCCNCCOCCCCCNN+N-CNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL942245;CHEMBL683047;CHEMBL824050;CHEMBL677845;CHEMBL677846;CHEMBL685345;CHEMBL683045,PMID:8145225,1994.0,PMID:18973287;PMID:9767648;PMID:8145225;PMID:8627617;PMID:14667209;PMID:8568803;PMID:10633039,2008;1998;1994;1996;2003;1996;2000,0,0,0,1,0,,=,  8.290;  8.420;  8.270;  8.420;  8.420;  8.270;  8.420,8.359,0.071,0.028999999999999998,7.0,8.42,0.0
-CFTGBZNNRAGCKX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257182,NC(=O)c1c(NC(=O)Cn2cc(CN3CCC3)c(C(F)(F)F)n2)sc2c1CCCC2,CFTGBZNNRAGCKX,CFTGBZNNRAGCKX-UHFFFAOYSA-N,"InChI=1S/C19H22F3N5O2S/c20-19(21,22)16-11(8-26-6-3-7-26)9-27(25-16)10-14(28)24-18-15(17(23)29)12-4-1-2-5-13(12)30-18/h9H,1-8,10H2,(H2,23,29)(H,24,28)","""AuxInfo=1/1/N:28,29,16,27,30,15,17,13,11,9,12,26,25,7,4,18,2,5,19,20,21,22,1,6,23,14,10,8,3,24/E:(6,7)(20,21,22)/rA:30NCOCCNCOCNCCCNCCCCCFFFNSCCCCCC/rB:s1;d2;s2;d4;s5;s6;d7;s7;s9;s10;d11;s12;s13;s14;s15;s14s16;s12;s18;s19;s19;s19;s10d18;s5;s24;s4d25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CFVHUTNSNQLFIJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL474268,Clc1ccc2c(NCCCNCCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1,CFVHUTNSNQLFIJ,CFVHUTNSNQLFIJ-UHFFFAOYSA-N,"InChI=1S/C34H39ClN4O/c35-24-17-18-27-31(23-24)39-29-14-6-4-12-26(29)34(27)37-21-10-20-36-19-7-1-2-8-22-40-32-16-9-15-30-33(32)25-11-3-5-13-28(25)38-30/h3,5,9,11,13,15-18,23,36,38H,1-2,4,6-8,10,12,14,19-22H2,(H,37,39)","""AuxInfo=1/1/N:14,15,29,34,28,35,13,16,21,9,30,33,27,36,22,20,3,4,12,10,8,17,40,2,25,32,5,26,37,23,39,19,24,6,1,11,7,31,38,18/rA:40ClCCCCCNCCCNCCCCCCOCCCCCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s26;d27;s28;s25d29;s23s26;d6;s32;s33;s34;s35;s32s36;d37;s5s38;s2d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-CFVHUTNSNQLFIJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL474268,Clc1ccc2c(NCCCNCCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1,CFVHUTNSNQLFIJ,CFVHUTNSNQLFIJ-UHFFFAOYSA-N,"InChI=1S/C34H39ClN4O/c35-24-17-18-27-31(23-24)39-29-14-6-4-12-26(29)34(27)37-21-10-20-36-19-7-1-2-8-22-40-32-16-9-15-30-33(32)25-11-3-5-13-28(25)38-30/h3,5,9,11,13,15-18,23,36,38H,1-2,4,6-8,10,12,14,19-22H2,(H,37,39)","""AuxInfo=1/1/N:14,15,29,34,28,35,13,16,21,9,30,33,27,36,22,20,3,4,12,10,8,17,40,2,25,32,5,26,37,23,39,19,24,6,1,11,7,31,38,18/rA:40ClCCCCCNCCCNCCCCCCOCCCCCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s26;d27;s28;s25d29;s23s26;d6;s32;s33;s34;s35;s32s36;d37;s5s38;s2d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-CFVIILYNJNMXMO_on_P41594_WT,Medium,ChEMBL30,CHEMBL184077,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(Cl)cccc2)c1,CFVIILYNJNMXMO,CFVIILYNJNMXMO-UHFFFAOYSA-N,InChI=1S/C18H11ClFN5/c19-16-6-2-1-5-15(16)12-9-13(20)11-14(10-12)25-23-18(22-24-25)17-7-3-4-8-21-17/h1-11H,"""AuxInfo=1/0/N:23,22,13,12,24,21,14,11,25,16,3,17,2,4,18,19,9,8,20,1,10,7,15,6,5/rA:25FCCCNNNCCNCCCCNCCCCClCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s19;d21;s22;s18d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-CFYASTOPBBPUEO_on_P14867_WT,Low,ChEMBL30,CHEMBL53528,CC(C)(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,CFYASTOPBBPUEO,CFYASTOPBBPUEO-UHFFFAOYSA-N,"InChI=1S/C19H19N5O/c1-19(2,3)18-22-21-16-14-9-4-5-10-15(14)17(23-24(16)18)25-12-13-8-6-7-11-20-13/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,13,12,22,21,23,14,11,20,17,18,9,10,8,15,5,2,19,7,6,24,25,16/E:(1,2,3)/rA:25CCCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CFYASTOPBBPUEO_on_P31644_WT,Low,ChEMBL30,CHEMBL53528,CC(C)(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,CFYASTOPBBPUEO,CFYASTOPBBPUEO-UHFFFAOYSA-N,"InChI=1S/C19H19N5O/c1-19(2,3)18-22-21-16-14-9-4-5-10-15(14)17(23-24(16)18)25-12-13-8-6-7-11-20-13/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,13,12,22,21,23,14,11,20,17,18,9,10,8,15,5,2,19,7,6,24,25,16/E:(1,2,3)/rA:25CCCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CFYASTOPBBPUEO_on_P34903_WT,Low,ChEMBL30,CHEMBL53528,CC(C)(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,CFYASTOPBBPUEO,CFYASTOPBBPUEO-UHFFFAOYSA-N,"InChI=1S/C19H19N5O/c1-19(2,3)18-22-21-16-14-9-4-5-10-15(14)17(23-24(16)18)25-12-13-8-6-7-11-20-13/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,13,12,22,21,23,14,11,20,17,18,9,10,8,15,5,2,19,7,6,24,25,16/E:(1,2,3)/rA:25CCCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CFYASTOPBBPUEO_on_P47869_WT,Low,ChEMBL30,CHEMBL53528,CC(C)(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,CFYASTOPBBPUEO,CFYASTOPBBPUEO-UHFFFAOYSA-N,"InChI=1S/C19H19N5O/c1-19(2,3)18-22-21-16-14-9-4-5-10-15(14)17(23-24(16)18)25-12-13-8-6-7-11-20-13/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,13,12,22,21,23,14,11,20,17,18,9,10,8,15,5,2,19,7,6,24,25,16/E:(1,2,3)/rA:25CCCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CFYCEUGQUDABFL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1234889,O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1c(C(=O)NC2CCNC2)c2c(CCCC2)s1,CFYCEUGQUDABFL,CFYCEUGQUDABFL-UHFFFAOYSA-N,"InChI=1S/C23H28F3N5O2S/c24-23(25,26)20-14-5-1-3-7-16(14)31(30-20)12-18(32)29-22-19(15-6-2-4-8-17(15)34-22)21(33)28-13-9-10-27-11-13/h13,27H,1-12H2,(H,28,33)(H,29,32)","""AuxInfo=1/1/N:15,32,14,31,16,33,13,30,24,25,27,3,23,11,28,12,29,2,19,6,20,18,7,8,9,10,26,22,17,5,4,1,21,34/E:(24,25,26)/rA:34OCCNNCCFFFCCCCCCNCCCONCCCNCCCCCCCS/rB:d1;s2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;s14;s11s15;s2;s17;d18;s19;d20;s20;s22;s23;s24;s25;s23s26;s19;d28;s29;s30;s31;s28s32;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-CGBANSGENFERAT_on_O00591_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_O14764_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P14867_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P18505_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P18507_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P28472_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P31644_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P34903_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P47869_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P47870_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P48169_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_P78334_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_Q16445_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGBANSGENFERAT_on_Q99928_WT,Low,ChEMBL30,CHEMBL1907717,CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2,CGBANSGENFERAT,CGBANSGENFERAT-UHFFFAOYSA-N,"InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3","""AuxInfo=1/0/N:1,23,13,29,22,12,28,14,24,30,21,11,27,6,8,7,15,18,25,19,10,5,26,17,3,20,9,16,2,4/rA:30CNCOCCCCNCCCCCCNCCCFCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;w?16;s17;d18;s19;s19;d21;s22;s18d23;s17;s2d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CGCGVFWVVXOZDL_on_Q14833_WT,High,ChEMBL30,CHEMBL3809364,O=C(Nc1cn(S(=O)(=O)Cc2ccccc2F)cc1)c1ccccn1,CGCGVFWVVXOZDL,CGCGVFWVVXOZDL-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)","""AuxInfo=1/1/N:13,14,22,23,12,15,21,19,24,18,5,10,11,4,16,20,2,17,25,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCCCCFCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s11d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.600;  6.600,6.6,0.0,0.0,2.0,6.6,0.0
-CGCILUGPSJODKY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL401721,NC(C(=O)O)(C1CC(C(=O)O)C1)C1c2ccccc2Sc2c1cccc2,CGCILUGPSJODKY,CGCILUGPSJODKY-UHFFFAOYSA-N,"InChI=1S/C20H19NO4S/c21-20(19(24)25,12-9-11(10-12)18(22)23)17-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)17/h1-8,11-12,17H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:16,24,17,25,15,23,18,26,7,12,8,6,14,22,19,21,13,9,3,2,1,10,11,4,5,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)(22,23)(24,25)/rA:26NCCOOCCCCOOCCCCCCCCSCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s6s8;s2;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:17489573,2007.0,PMID:17489573,2007,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CGDXGDWANGGDCE_on_P41594_WT,High,ChEMBL30,CHEMBL4090712,CC(C)(C)CC1COCc2nc(OCc3cccc(C#N)c3)cc(=O)n21,CGDXGDWANGGDCE,CGDXGDWANGGDCE-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,22,23,5,20,14,7,9,19,15,6,10,12,24,2,21,11,26,25,8,13/E:(1,2,3)/rA:26CCCCCCCOCCNCOCCCCCCCNCCCON/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s19;t20;s15d19;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-CGEXPUPJYMYCRH_on_Q14833_WT,High,ExCAPE-DB,56587907,COc1c(Cl)cc2nc(C3N=CC=N3)[nH]c2c1,CGEXPUPJYMYCRH,CGEXPUPJYMYCRH-UHFFFAOYSA-N,"InChI=1S/C11H9ClN4O/c1-17-9-5-8-7(4-6(9)12)15-11(16-8)10-13-2-3-14-10/h2-5,10H,1H3,(H,15,16)","""AuxInfo=1/1/N:1,12,13,6,17,4,7,16,3,10,9,5,11,14,8,15,2/E:(2,3)(13,14)/rA:17COCCClCCNCCNCCNNCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;w?11;s12;s10w?13;s9;s7s15;s3d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CGGMFNQNSCVDBR_on_Q14833_WT,High,ChEMBL30,CHEMBL3609731,COc1c(Br)ccc(NC(=O)c2ncccc2)c1,CGGMFNQNSCVDBR,CGGMFNQNSCVDBR-UHFFFAOYSA-N,"InChI=1S/C13H11BrN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,16,15,17,7,6,14,18,8,4,12,3,10,5,13,9,11,2/rA:18COCCBrCCCNCOCNCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  6.490;  6.490,6.49,0.0,0.0,2.0,6.49,0.0
-CGJGELTYXBIHNQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3925177,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cncnc2N)c3)cc1,CGJGELTYXBIHNQ,CGJGELTYXBIHNQ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c1-30-17-7-5-15(6-8-17)19-11-21(23(25)29)28-20-10-14(3-9-18(19)20)2-4-16-12-26-13-27-22(16)24/h3,5-13H,2,4H2,1H3,(H2,25,29)(H2,24,26,27)","""AuxInfo=1/1/N:1,19,17,20,5,29,4,30,16,28,8,22,24,18,6,21,3,15,7,14,9,26,10,27,11,23,25,13,12,2/E:(5,6)(7,8)/rA:30COCCCCCCCCNONCCCCCCCCCNCNCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s14d18;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-CGLMRXSTGOMRJD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983091,Cn1cnc(C(=O)NCCCCc2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1,CGLMRXSTGOMRJD,CGLMRXSTGOMRJD-UHFFFAOYSA-N,"InChI=1S/C21H30N6O2/c1-21(2,3)13-27-17-10-9-15(24-18(17)26(5)20(27)29)8-6-7-11-22-19(28)16-12-25(4)14-23-16/h9-10,12,14H,6-8,11,13H2,1-5H3,(H,22,28)","""AuxInfo=1/1/N:26,27,28,1,20,11,10,12,14,15,9,29,24,3,13,5,16,17,6,21,25,8,4,18,2,19,23,7,22/E:(1,2,3)/rA:29CNCNCCONCCCCCCCCCNNCCONCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s17;s19;s19;d21;s16s21;s23;s24;s25;s25;s25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-CGOOGLSJSVATGZ_on_O00591_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_O14764_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P14867_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P18505_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P18507_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P28472_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P31644_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P34903_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P47869_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P47870_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P48169_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_P78334_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGOOGLSJSVATGZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL156846,COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1,CGOOGLSJSVATGZ,CGOOGLSJSVATGZ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O4/c1-26-15-4-2-3-5-16(15)27-17(24)8-11-10-20-22-14-9-12(19)6-7-13(14)23(25)21-18(11)22/h2-7,9-11,18H,8H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,16,15,8,19,10,9,17,14,13,3,4,6,23,18,11,22,12,20,7,21,2,5/CRV:23.5/rA:27COCCOCOCCCNNCCCCCClCN+O-NCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;w?10;s11;s12;d13;s14;d15;s16;s17;s13d17;s14;s20;w?20;s9s12s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CGVJPQYHXQIFPE_on_O00591_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_O14764_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P14867_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P18505_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P18507_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P28472_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P31644_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P34903_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P47869_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P47870_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P48169_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_P78334_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_Q16445_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVJPQYHXQIFPE_on_Q99928_WT,Low,ChEMBL30,CHEMBL54512,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2,CGVJPQYHXQIFPE,CGVJPQYHXQIFPE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-CGVVDBYKSQSBLG_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1094733;627502,O=C1OC(COc2ccc(Cl)cc2)CN1c1ccccc1,CGVVDBYKSQSBLG,CGVVDBYKSQSBLG-UHFFFAOYSA-N,"InChI=1S/C16H14ClNO3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2","""AuxInfo=1/0/N:19,18,20,17,21,9,12,8,13,14,5,10,16,7,4,2,11,15,1,6,3/E:(2,3)(4,5)(6,7)(8,9)/rA:21OCOCCOCCCCClCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s7d12;s4;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  6.440;  6.444,6.442,0.002,0.002,2.0,6.442,0.002
-CGZHXPRQOMSNRT_on_Q14416_WT,High,ChEMBL30,CHEMBL2152110,N#Cc1c(-c2ccc3NCCOc3c2)ccn2c(CC(F)(F)F)cnc12,CGZHXPRQOMSNRT,CGZHXPRQOMSNRT-UHFFFAOYSA-N,"InChI=1S/C18H13F3N4O/c19-18(20,21)8-12-10-24-17-14(9-22)13(3-5-25(12)17)11-1-2-15-16(7-11)26-6-4-23-15/h1-3,5,7,10,23H,4,6,8H2","""AuxInfo=1/0/N:6,7,15,10,16,11,14,19,2,24,5,18,4,3,8,13,26,20,21,22,23,1,9,25,17,12/E:(19,20,21)/rA:26NCCCCCCCNCCOCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s8s12;s5d13;s4;d15;s16;s17;s18;s19;s20;s20;s20;d18;s24;s3s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-CGZMAVIBDSBEED_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106692,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(F)c3)n2)ccn1,CGZMAVIBDSBEED,CGZMAVIBDSBEED-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-12-9-14(5-7-25-12)19-17-6-8-28-13(2)11-27(17)20(26-19)15-3-4-18(16(22)10-15)29-21(23)24/h3-5,7,9-10,13,21H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,23,6,18,5,14,20,24,21,22,29,26,13,9,19/E:(23,24)/rA:29CCCCCCCCOCCCNCCCCCOCFFCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710;  7.740,7.725,0.015,0.015,2.0,7.725,0.015
-CGZZSGTWUICICQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3974523,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(C(F)(F)F)nc4C3)cc2n1,CGZZSGTWUICICQ,CGZZSGTWUICICQ-UHFFFAOYSA-N,"InChI=1S/C24H19F4N5O/c25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32/h1-6,9-10,12H,7-8,11,13H2,(H2,29,34)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,21,32,5,18,23,31,17,7,10,14,6,33,4,24,30,2,25,11,26,27,28,1,34,29,19,22,3/E:(2,3)(4,5)(26,27,28)/rA:34NCOCCCCCCCFCCCCCCCNCCNCCCFFFNCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;d23;s24;s25;s25;s25;s24;s22d29;s19s30;d17;s14s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-CHAFCAFCZBTARK_on_P41594_WT,High,ChEMBL30,CHEMBL4087545,O=C(c1cc(Cl)cc(F)c1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,CHAFCAFCZBTARK,CHAFCAFCZBTARK-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3O2/c19-11-5-10(6-13(21)7-11)18(25)24-4-3-16-15(9-24)23-17(26-16)14-2-1-12(20)8-22-14/h1-2,5-8H,3-4,9H2","""AuxInfo=1/0/N:21,20,13,12,4,10,7,24,16,3,5,22,8,19,15,14,18,2,6,23,9,25,17,11,1,26/rA:26OCCCCClCCFCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;s5;d5;s7;s8;s3d8;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;d19;s20;d21;s22;s22;s19d24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-CHDRFSOETOBLIT_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647573,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(F)c1,CHDRFSOETOBLIT,CHDRFSOETOBLIT-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O2S/c1-2-31(29,30)15-6-7-16(20(24)10-15)17-9-13(3-8-19(17)23)18-11-26-27-22-21(18)25-12-28(22)14-4-5-14/h3,6-12,14H,2,4-5H2,1H3","""AuxInfo=1/0/N:1,2,25,23,24,7,8,26,11,31,14,20,12,22,6,9,10,13,27,29,18,17,28,30,19,15,16,21,4,5,3/E:(4,5)(29,30)/CRV:31.6/rA:31CCSOOCCCCCCCCCNNCCNCNCCCCCCFCFC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22s23;d12;s25;s10d26;s27;s9;s29;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-CHEAWJHQGIMNCE_on_Q13255_WT,High,ChEMBL30,CHEMBL3759555,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2c1,CHEAWJHQGIMNCE,CHEAWJHQGIMNCE-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-11-3-5-13-14(9-11)20(28)25(19(13)27)16-6-4-12(10-15(16)21)23-18(26)17-22-7-8-24(17)2/h3-10H,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,21,3,11,4,10,18,19,28,22,2,12,5,27,23,9,16,14,6,25,24,17,13,20,8,15,7,26/rA:28CCCCCCONCCCCNCOCNCCNCCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;d18;s16s19;s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.600;  6.590,6.595,0.005,0.005,2.0,6.595,0.005
-CHEAWJHQGIMNCE_on_Q14833_WT,High,ChEMBL30,CHEMBL3759555,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2c1,CHEAWJHQGIMNCE,CHEAWJHQGIMNCE-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-11-3-5-13-14(9-11)20(28)25(19(13)27)16-6-4-12(10-15(16)21)23-18(26)17-22-7-8-24(17)2/h3-10H,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,21,3,11,4,10,18,19,28,22,2,12,5,27,23,9,16,14,6,25,24,17,13,20,8,15,7,26/rA:28CCCCCCONCCCCNCOCNCCNCCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;d18;s16s19;s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-CHEFWPFMFSWBKT_on_O15399_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_O60391_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHEFWPFMFSWBKT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1188589,Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1,CHEFWPFMFSWBKT,CHEFWPFMFSWBKT-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-10-5-2-3-8-13(10)17-14(15)16-11-6-4-7-12(18)9-11/h2-9,18H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,17,16,13,18,14,12,15,9,2,8,10,3,5,6,7,4,11/rA:18CCCNCNNCCCOCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CHFHHUHLAQEBOY_on_P41594_WT,Low,ChEMBL30,CHEMBL236177,COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1,CHFHHUHLAQEBOY,CHFHHUHLAQEBOY-UHFFFAOYSA-N,"InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3","""AuxInfo=1/0/N:21,1,5,26,4,27,22,17,8,20,6,3,16,14,15,10,11,13,24,23,18,9,7,25,2,19,12/E:(3,4)(5,6)/rA:27COCCCCNCNCCSCCCCCNOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s16;s19;s20;s20;s15s22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CHFHHUHLAQEBOY_on_Q13255_WT,High,ChEMBL30,CHEMBL236177,COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1,CHFHHUHLAQEBOY,CHFHHUHLAQEBOY-UHFFFAOYSA-N,"InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3","""AuxInfo=1/0/N:21,1,5,26,4,27,22,17,8,20,6,3,16,14,15,10,11,13,24,23,18,9,7,25,2,19,12/E:(3,4)(5,6)/rA:27COCCCCNCNCCSCCCCCNOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s16;s19;s20;s20;s15s22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-CHFSOFHQIZKQCR_on_O15399_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_O60391_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_Q05586_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_Q12879_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_Q13224_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHFSOFHQIZKQCR_on_Q14957_WT,Low,ChEMBL30,CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2,CHFSOFHQIZKQCR,CHFSOFHQIZKQCR-UHFFFAOYSA-N,"InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,7,10,5,11,4,15,13,8,6,17,12,2,16,14,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCClCClCCCNCOCON/rB:d1;s2;s2;d4;s5;s5;s7;d7;s9;s4d10;s11;d12;s13;s13;s15;s10d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-CHHDYQNGYGLTEQ_on_P41594_WT,High,ChEMBL30,CHEMBL4099053,O=S(=O)(c1cccc(Cl)c1)c1cnc2cc(Cl)ccc2c1N1CCC(CO)CC1,CHHDYQNGYGLTEQ,CHHDYQNGYGLTEQ-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2N2O3S/c22-15-2-1-3-17(10-15)29(27,28)20-12-24-19-11-16(23)4-5-18(19)21(20)25-8-6-14(13-26)7-9-25/h1-5,10-12,14,26H,6-9,13H2","""AuxInfo=1/0/N:6,7,5,18,19,24,28,23,29,10,15,12,26,25,8,16,4,20,14,11,21,9,17,13,22,27,1,3,2/E:(6,7)(8,9)(27,28)/CRV:29.6/rA:29OSOCCCCCClCCCNCCCClCCCCNCCCCOCC/rB:d1;d2;s2;d4;s5;d6;s7;s8;s4d8;s2;d11;s12;d13;s14;d15;s16;s16;d18;s14s19;s11d20;s21;s22;s23;s24;s25;s26;s25;s22s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-CHIBWIIRFQBOEN_on_P41594_WT,High,ChEMBL30,CHEMBL3644418,Cc1ccc(-c2ccnc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,CHIBWIIRFQBOEN,CHIBWIIRFQBOEN-UHFFFAOYSA-N,"InChI=1S/C24H22N6O/c1-15-2-3-17(11-26-15)18-6-8-25-24-19(18)7-9-30-21(24)10-22(27-12-23(30)31)29-13-20(28-14-29)16-4-5-16/h2-3,6,8,10-11,13-14,16H,4-5,7,9,12H2,1H3","""AuxInfo=1/0/N:1,3,4,25,26,7,12,8,13,28,30,17,27,21,2,24,5,6,11,23,29,19,15,10,9,31,18,22,20,14,16/E:(4,5)/rA:31CCCCCCCCNCCCCNCOCNCNCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-CHIBWIIRFQBOEN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644418,Cc1ccc(-c2ccnc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,CHIBWIIRFQBOEN,CHIBWIIRFQBOEN-UHFFFAOYSA-N,"InChI=1S/C24H22N6O/c1-15-2-3-17(11-26-15)18-6-8-25-24-19(18)7-9-30-21(24)10-22(27-12-23(30)31)29-13-20(28-14-29)16-4-5-16/h2-3,6,8,10-11,13-14,16H,4-5,7,9,12H2,1H3","""AuxInfo=1/0/N:1,3,4,25,26,7,12,8,13,28,30,17,27,21,2,24,5,6,11,23,29,19,15,10,9,31,18,22,20,14,16/E:(4,5)/rA:31CCCCCCCCNCCCCNCOCNCNCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CHIFCDOIPRCHCF_on_O00591_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_O14764_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P14867_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P18505_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P18507_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P28472_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P31644_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P34903_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P47869_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P47870_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P48169_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_P78334_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_Q16445_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHIFCDOIPRCHCF_on_Q99928_WT,Low,ChEMBL30,CHEMBL268254,O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1,CHIFCDOIPRCHCF,CHIFCDOIPRCHCF-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)","""AuxInfo=1/1/N:8,9,7,10,16,15,19,3,17,6,13,11,14,2,5,18,12,4,20,1/rA:20OCCNCCCCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s11;s5;d13;s14;d15;s16;s17;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHMFFBQMSYJXTP_on_P14867_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-CHMFFBQMSYJXTP_on_P18507_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.060;  9.000;  8.620;  8.640,8.83,0.201,0.11599999999999999,4.0,8.82,0.19
-CHMFFBQMSYJXTP_on_P28472_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL678741;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.640;  9.000;  9.060;  8.620,8.83,0.201,0.11599999999999999,4.0,8.82,0.19
-CHMFFBQMSYJXTP_on_P31644_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-CHMFFBQMSYJXTP_on_P34903_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-CHMFFBQMSYJXTP_on_P47869_WT,Low,ChEMBL30,CHEMBL298386,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,CHMFFBQMSYJXTP,CHMFFBQMSYJXTP-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,4,3,15,19,28,25,5,8,2,14,23,24,7,13,22,10,6,20,21,11,12,9/E:(3,4)(9,10)/rA:28CCCCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-CHMJUQFCWYSNMM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950360,O=C(c1c(F)c(F)ccc1)N1CCn2nc(COc3ccccc3)cc2C1,CHMJUQFCWYSNMM,CHMJUQFCWYSNMM-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-18-8-4-7-17(19(18)22)20(26)24-9-10-25-15(12-24)11-14(23-25)13-27-16-5-2-1-3-6-16/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:22,21,23,9,20,24,10,8,12,13,25,27,17,16,26,19,3,6,4,2,7,5,15,11,14,1,18/E:(2,3)(5,6)/rA:27OCCCFCFCCCNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;s4;s6;d6;s8;s3d9;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s14d25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-CHQAVODTDIEWRE_on_P41594_WT,High,ChEMBL30,CHEMBL3655622,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1,CHQAVODTDIEWRE,CHQAVODTDIEWRE-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22)","""AuxInfo=1/1/N:22,23,21,18,16,5,7,11,15,13,17,19,4,8,10,2,20,6,12,14,3,1,9/E:(8,9)(19,20)/rA:23OCNCCNCCOCCNCNCCCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.120;  6.330,6.225,0.105,0.105,2.0,6.225,0.105
-CHQPOBHNDRMXFK_on_O00591_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_O14764_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P14867_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P18505_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P18507_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P28472_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P31644_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P34903_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P47869_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P47870_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P48169_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_P78334_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_Q16445_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHQPOBHNDRMXFK_on_Q99928_WT,Low,ChEMBL30,CHEMBL372281,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12,CHQPOBHNDRMXFK,CHQPOBHNDRMXFK-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)","""AuxInfo=1/1/N:18,17,19,16,20,9,10,6,15,7,4,5,14,12,2,8,3,21,11,22,13,1/E:(2,3)(4,5)/rA:22OCNCCCCClCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;d14;s2s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CHUOFZCJVIALHY_on_Q13255_WT,High,ChEMBL30,CHEMBL3634433,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1,CHUOFZCJVIALHY,CHUOFZCJVIALHY-UHFFFAOYSA-N,"InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-12-6-7-15(20-10-12)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,26,25,23,2,7,15,14,10,3,4,20,12,22,6,11,5,21,13,24/E:(2,3)(4,5)(13,14)(18,19)(24,25)/rA:26CCCCONCCCCNCOCCCCCCCONCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  6.410;  6.410,6.41,0.0,0.0,2.0,6.41,0.0
-CHUOFZCJVIALHY_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634433,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1,CHUOFZCJVIALHY,CHUOFZCJVIALHY-UHFFFAOYSA-N,"InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-12-6-7-15(20-10-12)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,26,25,23,2,7,15,14,10,3,4,20,12,22,6,11,5,21,13,24/E:(2,3)(4,5)(13,14)(18,19)(24,25)/rA:26CCCCONCCCCNCOCCCCCCCONCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CHVXANPQEAFDOH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,46932381;CHEMBL1258545,N#Cc1c(N2CCc3c(C2)oc(-c2ccccn2)n3)nccc1,CHVXANPQEAFDOH,CHVXANPQEAFDOH-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-13-15(11-22)23-17(21-13)14-5-1-2-7-19-14/h1-5,7-8H,6,9,11H2","""AuxInfo=1/0/N:15,16,22,23,14,7,17,21,6,2,10,3,8,13,9,4,12,1,18,20,19,5,11/rA:23NCCCNCCCCCOCCCCCCNNNCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s5s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s4;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:516922;CHEMBL1259400,PMID:20809633,2010.0,PubChemAID:516922;PMID:20809633,2011;2010,0;1,0,0,0,1;0,,=,  6.194;  6.190,6.192,0.002,0.002,2.0,6.192,0.002
-CHZBCZTXSTWCIG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL128772,NC(C(=O)O)c1ccc(O)c(C(=O)O)c1,CHZBCZTXSTWCIG,CHZBCZTXSTWCIG-UHFFFAOYSA-N,"InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:7,8,15,6,11,9,2,12,3,1,10,13,14,4,5/E:(12,13)(14,15)/rA:15NCCOOCCCCOCCOOC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;s9;s11;d12;s12;s6d11;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:8831765,1996.0,PMID:17489573,2007,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-CICHKGWZCBYLIU_on_Q13255_WT,High,ChEMBL30,CHEMBL2205911,COc1ccc(-n2cnc3c(sc4c3c(NCC(F)(F)F)ncn4)c2=O)cc1,CICHKGWZCBYLIU,CICHKGWZCBYLIU-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5O2S/c1-27-10-4-2-9(3-5-10)25-8-24-12-11-14(21-6-17(18,19)20)22-7-23-15(11)28-13(12)16(25)26/h2-5,7-8H,6H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,5,27,4,28,17,23,8,6,3,14,10,11,15,13,25,18,19,20,21,16,22,24,9,7,26,2,12/E:(2,3)(4,5)(18,19,20)/rA:28COCCCCNCNCCSCCCNCCFFFNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s18;s18;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-CICUFFDWOJXMLM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3965612;CHEMBL4106872,NC(=O)c1cc(-c2c[nH]nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,CICUFFDWOJXMLM,CICUFFDWOJXMLM-UHFFFAOYSA-N,"InChI=1S/C19H18F3N5O2/c20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)","""AuxInfo=1/1/N:14,13,18,19,27,5,8,11,16,26,15,7,12,6,28,4,21,2,22,23,24,25,1,9,10,29,17,3,20/E:(7,8)(20,21,22)(24,25)/rA:29NCOCCCCCNNCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;s7d10;d6;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s22;s22;s17s21;d15;s12s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  5.940;  6.290,6.115,0.175,0.175,2.0,6.115,0.175
-CIDKPZKESLVWGD_on_Q13224_WT,High,ChEMBL30,CHEMBL4294991,OCc1ccc2CCC(NCCCc3ccccc3)CCc2c1,CIDKPZKESLVWGD,CIDKPZKESLVWGD-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c23-16-18-8-9-19-10-12-21(13-11-20(19)15-18)22-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21-23H,4,7,10-14,16H2","""AuxInfo=1/0/N:17,16,18,12,15,19,13,4,5,7,21,8,20,11,23,2,14,3,6,22,9,10,1/E:(2,3)(5,6)/rA:23OCCCCCCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s20;s6s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4254519,PMID:29289890,2018.0,PMID:29289890,2018,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-CIEFWAZHWHSMGL_on_P14867_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.070;  7.070,7.07,0.0,0.0,2.0,7.07,0.0
-CIEFWAZHWHSMGL_on_P18507_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL822165;CHEMBL678329;CHEMBL683047;CHEMBL823916;CHEMBL824296;CHEMBL683045;CHEMBL681248;CHEMBL682251;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;2000;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  8.620;  7.070;  7.070;  6.820;  7.070;  7.400;  6.820;  7.400;  7.070;  8.620,7.396,0.639,0.213,10.0,7.07,0.25
-CIEFWAZHWHSMGL_on_P28472_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822165;CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL683047;CHEMBL683045;CHEMBL678329;CHEMBL681480;CHEMBL681248;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.070;  8.620;  7.070;  7.400;  6.820;  6.820;  7.070;  8.620;  7.400;  7.070,7.396,0.639,0.213,10.0,7.07,0.25
-CIEFWAZHWHSMGL_on_P31644_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.620;  8.620,8.62,0.0,0.0,2.0,8.62,0.0
-CIEFWAZHWHSMGL_on_P34903_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.070;  7.070,7.07,0.0,0.0,2.0,7.07,0.0
-CIEFWAZHWHSMGL_on_P47869_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-CIEFWAZHWHSMGL_on_Q16445_WT,Low,ChEMBL30,CHEMBL134175,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21,CIEFWAZHWHSMGL,CIEFWAZHWHSMGL-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3","""AuxInfo=1/0/N:1,22,2,21,13,14,4,5,12,8,26,3,7,6,15,20,17,16,18,9,25,19,23,11,27,10,24/rA:27CCCCCCCCCONCCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;d20;s18s23;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.820;  6.820,6.82,0.0,0.0,2.0,6.82,0.0
-CIFWMJLWEDHFFC_on_P41594_WT,High,ChEMBL30,CHEMBL594769,O=C(c1ccc(Nc2ccc(Cl)cn2)nc1)N1CCCCC1,CIFWMJLWEDHFFC,CIFWMJLWEDHFFC-UHFFFAOYSA-N,"InChI=1S/C16H17ClN4O/c17-13-5-7-15(19-11-13)20-14-6-4-12(10-18-14)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20)","""AuxInfo=1/1/N:20,19,21,4,10,5,9,18,22,16,13,3,11,6,8,2,12,15,14,7,17,1/E:(2,3)(8,9)/rA:22OCCCCCNCCCCClCNNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CIGFJNQHIFYYCL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44452911;CHEMBL403362,Cc1cn2cc(C(=O)N3CCC(F)(F)C3)cc2c(C#Cc2cscc2)n1,CIGFJNQHIFYYCL,CIGFJNQHIFYYCL-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3OS/c1-13-9-24-10-15(18(25)23-6-5-19(20,21)12-23)8-17(24)16(22-13)3-2-14-4-7-26-11-14/h4,7-11H,5-6,12H2,1H3","""AuxInfo=1/0/N:1,20,19,25,11,10,24,16,3,5,22,15,2,21,6,18,17,7,12,13,14,26,9,4,8,23/E:(20,21)/rA:26CCCNCCCONCCCFFCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s12;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-CIGLLASOKXAMLS_on_P14867_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.950;  7.960,7.955,0.005,0.005,2.0,7.955,0.005
-CIGLLASOKXAMLS_on_P18507_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL678329;CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039,2000;2000;1998;1998;1998;1998;1998;2000;2000;2000,0,0,0,1,0,,=,  7.290;  7.960;  7.770;  7.440;  7.950;  8.970;  7.290;  7.770;  7.440;  8.970,7.885,0.591,0.19699999999999998,10.0,7.77,0.33
-CIGLLASOKXAMLS_on_P28472_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.770;  7.440;  7.950;  8.970;  7.290;  7.960;  7.440;  7.770;  8.970;  7.290,7.885,0.591,0.19699999999999998,10.0,7.77,0.33
-CIGLLASOKXAMLS_on_P31644_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.970;  8.970,8.97,0.0,0.0,2.0,8.97,0.0
-CIGLLASOKXAMLS_on_P34903_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.770;  7.770,7.77,0.0,0.0,2.0,7.77,0.0
-CIGLLASOKXAMLS_on_P47869_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.440;  7.440,7.44,0.0,0.0,2.0,7.44,0.0
-CIGLLASOKXAMLS_on_Q16445_WT,Low,ChEMBL30,CHEMBL416450,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1,CIGLLASOKXAMLS,CIGLLASOKXAMLS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:20,1,10,19,2,16,15,21,8,23,17,13,14,7,6,11,4,24,9,22,12,5,18,3/rA:24CCOCOCCCNCCOCCCCCOCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.290;  7.290,7.29,0.0,0.0,2.0,7.29,0.0
-CIHIQBHPOMERRH_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647546,CCCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2)c1,CIHIQBHPOMERRH,CIHIQBHPOMERRH-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O2S/c1-3-11-27-14-24-21-19(13-25-26-22(21)27)16-7-10-20(23)18(12-16)15-5-8-17(9-6-15)30(28,29)4-2/h5-10,12-14H,3-4,11H2,1-2H3","""AuxInfo=1/0/N:1,27,2,26,20,29,14,21,28,15,3,30,11,5,19,13,22,18,12,16,7,8,17,6,10,9,4,24,25,23/E:(5,6)(8,9)(28,29)/CRV:30.6/rA:30CCCNCNCCNNCCCCCCFCCCCCSOOCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s16;s18;d19;s20;d21;s22;d23;d23;s23;s26;s22;s19d28;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-CIKGPUMGMDFOOC_on_P41594_WT,High,ChEMBL30,CHEMBL397648,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccc1O,CIKGPUMGMDFOOC,CIKGPUMGMDFOOC-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O4/c22-13-7-8-16(24-19(27)18-17(26)6-3-9-23-18)12(10-13)11-25-20(28)14-4-1-2-5-15(14)21(25)29/h1-10,26H,11H2,(H,24,27)","""AuxInfo=1/1/N:18,19,26,17,20,27,6,5,25,9,11,10,7,16,15,4,28,23,2,21,13,8,24,3,12,29,1,22,14/E:(1,2)(4,5)(14,15)(20,21)(28,29)/rA:29OCNCCCCClCCCNCOCCCCCCCOCNCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CIOKCIBFBZYLCA_on_O00222_WT,High,ChEMBL30,CHEMBL1089515,NC(CCP(=O)(O)CCC(=O)O)C(=O)O,CIOKCIBFBZYLCA,CIOKCIBFBZYLCA-UHFFFAOYSA-N,"InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,9,4,8,2,10,13,1,11,12,14,15,6,7,5/E:(9,10)(11,12)(13,14)/rA:15NCCCPOOCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.110;  5.190,5.15,0.04,0.04,2.0,5.15,0.04
-CIOKCIBFBZYLCA_on_O15303_WT,High,ChEMBL30,CHEMBL1089515,NC(CCP(=O)(O)CCC(=O)O)C(=O)O,CIOKCIBFBZYLCA,CIOKCIBFBZYLCA-UHFFFAOYSA-N,"InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,9,4,8,2,10,13,1,11,12,14,15,6,7,5/E:(9,10)(11,12)(13,14)/rA:15NCCCPOOCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496;CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.510;  5.170,4.84,0.33,0.33,2.0,4.84,0.33
-CIOKCIBFBZYLCA_on_Q14831_WT,High,ChEMBL30,CHEMBL1089515,NC(CCP(=O)(O)CCC(=O)O)C(=O)O,CIOKCIBFBZYLCA,CIOKCIBFBZYLCA-UHFFFAOYSA-N,"InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,9,4,8,2,10,13,1,11,12,14,15,6,7,5/E:(9,10)(11,12)(13,14)/rA:15NCCCPOOCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.050,4.05,0.0,0.0,1.0,4.05,0.0
-CIOKCIBFBZYLCA_on_Q14833_WT,High,ChEMBL30,CHEMBL1089515,NC(CCP(=O)(O)CCC(=O)O)C(=O)O,CIOKCIBFBZYLCA,CIOKCIBFBZYLCA-UHFFFAOYSA-N,"InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,9,4,8,2,10,13,1,11,12,14,15,6,7,5/E:(9,10)(11,12)(13,14)/rA:15NCCCPOOCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.230;  5.190,5.21,0.02,0.02,2.0,5.21,0.02
-CIPFCGZLFXVXBG_on_Q14571_WT,Low,ChEMBL30,CHEMBL3349691,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,CIPFCGZLFXVXBG,CIPFCGZLFXVXBG-UHFFFAOYSA-N,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:7,27,6,9,21,15,8,28,1,3,4,12,13,14,24,25,26,18,19,20,5,10,22,16,2,11,23,17/E:(1,2)(4,5)(7,8)(9,10,11)(12,13,14,15,16,17)(18,19,20)(22,23)(26,27)/gE:(2,3)/rA:28OPOOOCCOCOPOOOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;d17;s17;s17;s15;s21;s22;d23;s23;s23;s6s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL701347,PMID:10354407,1999.0,PMID:10354407,1999,1,0,0,0,0,,=,  7.580;  7.850,7.715,0.135,0.135,2.0,7.715,0.135
-CIPFCGZLFXVXBG_on_Q14573_WT,Medium,ChEMBL30,CHEMBL23552,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,CIPFCGZLFXVXBG,CIPFCGZLFXVXBG-UHFFFAOYSA-N,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:7,27,6,9,21,15,8,28,1,3,4,12,13,14,24,25,26,18,19,20,5,10,22,16,2,11,23,17/E:(1,2)(4,5)(7,8)(9,10,11)(12,13,14,15,16,17)(18,19,20)(22,23)(26,27)/gE:(2,3)/rA:28OPOOOCCOCOPOOOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;d17;s17;s17;s15;s21;s22;d23;s23;s23;s6s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697185,PMID:10197969,1999.0,PMID:10197969,1999,1,0,0,0,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-CIPFCGZLFXVXBG_on_Q14643_WT,Low,ChEMBL30,CHEMBL3349691,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,CIPFCGZLFXVXBG,CIPFCGZLFXVXBG-UHFFFAOYSA-N,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:7,27,6,9,21,15,8,28,1,3,4,12,13,14,24,25,26,18,19,20,5,10,22,16,2,11,23,17/E:(1,2)(4,5)(7,8)(9,10,11)(12,13,14,15,16,17)(18,19,20)(22,23)(26,27)/gE:(2,3)/rA:28OPOOOCCOCOPOOOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;d17;s17;s17;s15;s21;s22;d23;s23;s23;s6s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL701347,PMID:10354407,1999.0,PMID:10354407,1999,1,0,0,0,0,,=,  7.850;  7.580,7.715,0.135,0.135,2.0,7.715,0.135
-CISHLPQOGZOLEP_on_Q05586_WT,Medium,ChEMBL30,CHEMBL159739,O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NS(=O)(=O)c1ccccc1,CISHLPQOGZOLEP,CISHLPQOGZOLEP-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N3O5S/c18-9-6-12(19)14-11(15(16(23)24)21-13(14)7-9)8-20-17(25)22-28(26,27)10-4-2-1-3-5-10/h1-7,21H,8H2,(H,23,24)(H2,20,22,25)","""AuxInfo=1/1/N:26,25,27,24,28,15,12,4,13,23,5,16,11,18,6,7,2,14,17,3,10,19,8,9,1,21,22,20/E:(2,3)(4,5)(23,24)(26,27)/CRV:28.6/rA:28OCNCCCCOONCCCClCCClCNSOOCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s7;s6;s10;d11;s12;s13;d13;s15;s16;s5s11d16;s2;s19;d20;d20;s20;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-CIUXXKQZJMDZQL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453453;CHEMBL257699,CNC(=O)c1cn2cc(C)nc(C#Cc3ccccc3)c2c1,CIUXXKQZJMDZQL,CIUXXKQZJMDZQL-UHFFFAOYSA-N,"InChI=1S/C18H15N3O/c1-13-11-21-12-15(18(22)19-2)10-17(21)16(20-13)9-8-14-6-4-3-5-7-14/h3-7,10-12H,1-2H3,(H,19,22)","""AuxInfo=1/1/N:10,1,18,17,19,16,20,14,13,22,8,6,9,15,5,12,21,3,2,11,7,4/E:(4,5)(6,7)/rA:22CNCOCCNCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s7s12;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-CIZDIEPYKQXGQG_on_P41594_WT,High,ChEMBL30,CHEMBL3087514,COC(=O)N1CC2CCC(O)(C#Cc3cc(C)ccc3)C2C1,CIZDIEPYKQXGQG,CIZDIEPYKQXGQG-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)9-7-15-11-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,19,18,20,13,8,12,9,15,6,22,16,14,7,21,3,10,5,4,11,2/rA:22COCONCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s10;t12;s13;d14;s15;s16;d16;s18;s14d19;s7s10;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  7.130;  6.990,7.06,0.07,0.07,2.0,7.06,0.07
-CJAGXYNGXBAOBI_on_P14867_WT,Low,ChEMBL30,CHEMBL1091033,On1cc(C2CCNCC2)c(-c2ccc(-c3ccccc3)cc2)n1,CJAGXYNGXBAOBI,CJAGXYNGXBAOBI-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(17-10-12-21-13-11-17)20(22-23)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,21,24H,10-13H2","""AuxInfo=1/0/N:19,18,20,17,21,14,22,13,23,6,10,7,9,3,16,15,5,12,4,11,8,24,2,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s15;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-CJAGXYNGXBAOBI_on_P18507_WT,Low,ChEMBL30,CHEMBL1091033,On1cc(C2CCNCC2)c(-c2ccc(-c3ccccc3)cc2)n1,CJAGXYNGXBAOBI,CJAGXYNGXBAOBI-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(17-10-12-21-13-11-17)20(22-23)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,21,24H,10-13H2","""AuxInfo=1/0/N:19,18,20,17,21,14,22,13,23,6,10,7,9,3,16,15,5,12,4,11,8,24,2,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s15;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-CJAGXYNGXBAOBI_on_P47870_WT,Low,ChEMBL30,CHEMBL1091033,On1cc(C2CCNCC2)c(-c2ccc(-c3ccccc3)cc2)n1,CJAGXYNGXBAOBI,CJAGXYNGXBAOBI-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(17-10-12-21-13-11-17)20(22-23)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,21,24H,10-13H2","""AuxInfo=1/0/N:19,18,20,17,21,14,22,13,23,6,10,7,9,3,16,15,5,12,4,11,8,24,2,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s15;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-CJDCZVBFZVDWJU_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800265,Cc1c(C2CC2CO)n2c(=O)cc(COc3ccc(F)cc3)nc2s1,CJDCZVBFZVDWJU,CJDCZVBFZVDWJU-UHFFFAOYSA-N,"InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3","""AuxInfo=1/0/N:1,18,21,17,22,5,12,7,14,2,6,19,13,16,4,10,3,24,20,23,9,8,11,15,25/E:(2,3)(4,5)/rA:25CCCCCCCONCOCCCOCCCCFCCNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s13;s9d23;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-CJDCZVBFZVDWJU_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800265,Cc1c(C2CC2CO)n2c(=O)cc(COc3ccc(F)cc3)nc2s1,CJDCZVBFZVDWJU,CJDCZVBFZVDWJU-UHFFFAOYSA-N,"InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3","""AuxInfo=1/0/N:1,18,21,17,22,5,12,7,14,2,6,19,13,16,4,10,3,24,20,23,9,8,11,15,25/E:(2,3)(4,5)/rA:25CCCCCCCONCOCCCOCCCCFCCNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s13;s9d23;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-CJFQNRQGOQKJTF_on_P41594_WT,High,ExCAPE-DB,15985249,CCCn1cc2cc(-c3c(C)n(-c4c(F)nccc4)nn3)ccc2c1O,CJFQNRQGOQKJTF,CJFQNRQGOQKJTF-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10-11,26H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,19,22,23,17,3,7,5,10,8,6,24,13,9,14,25,15,16,21,20,4,12,26/rA:26CCCNCCCCCCCNCCFNCCCNNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s12;s9d20;s8;d22;s6s23;s4d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:446924,PubChemAID:446924,2010.0,PubChemAID:446924,2010,0,0,0,0,1,,=,  5.553,5.553,0.0,0.0,1.0,5.553,0.0
-CJFQNRQGOQKJTF_on_Q13255_WT,High,ExCAPE-DB,15985249,CCCn1cc2cc(-c3c(C)n(-c4c(F)nccc4)nn3)ccc2c1O,CJFQNRQGOQKJTF,CJFQNRQGOQKJTF-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10-11,26H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,19,22,23,17,3,7,5,10,8,6,24,13,9,14,25,15,16,21,20,4,12,26/rA:26CCCNCCCCCCCNCCFNCCCNNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s12;s9d20;s8;d22;s6s23;s4d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923,PubChemAID:446923,2010.0,PubChemAID:446923,2010,0,0,0,0,1,,=,  8.444,8.443999999999999,0.0,0.0,1.0,8.443999999999999,0.0
-CJKRWAYCCMUCCB_on_Q14416_WT,High,ChEMBL30,CHEMBL3929950,FC(F)(F)c1c(CN2CCCC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12,CJKRWAYCCMUCCB,CJKRWAYCCMUCCB-UHFFFAOYSA-N,"InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-12-30-20(13-16-8-9-16)27-28-22(21)30)15-29-11-4-7-18(14-29)17-5-2-1-3-6-17/h1-3,5-6,10,12,16,18H,4,7-9,11,13-15H2","""AuxInfo=1/0/N:16,15,17,10,14,18,11,26,27,20,9,21,24,19,7,25,13,12,6,23,5,30,2,1,3,4,28,29,8,22/E:(2,3)(5,6)(8,9)(24,25,26)/rA:30FCFFCCCNCCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s8s12;s6;d20;s21;s22;s23;s24;s25;s25s26;d23;s28;s5s22d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CJMXGDLLMLHLJJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113474,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)c1,CJMXGDLLMLHLJJ,CJMXGDLLMLHLJJ-UHFFFAOYSA-N,"InChI=1S/C22H20F5N3O2/c1-12-7-15(8-16(10-23)28-12)20-18-5-6-31-13(2)11-30(18)21(29-20)14-3-4-19(17(24)9-14)32-22(25,26)27/h3-4,7-9,13H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,15,20,21,11,12,32,7,30,5,16,2,14,19,8,4,28,10,22,9,18,24,6,29,25,26,27,3,31,17,13,23/E:(25,26,27)/rA:32CCNCCFCCCCCCOCCCNCCCCCOCFFFCFCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s28;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-CJOZVJDWVZKYBU_on_Q14416_WT,High,ChEMBL30,CHEMBL3883634,Fc1ccc(C2CC2COc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1,CJOZVJDWVZKYBU,CJOZVJDWVZKYBU-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2","""AuxInfo=1/0/N:23,24,4,28,3,29,27,26,21,7,9,22,5,8,2,6,11,20,12,17,13,1,14,15,16,19,18,25,10/E:(1,2)(3,4)(5,6)(23,24,25)/rA:29FCCCCCCCCOCCCFFFCNNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s6s7;s8;s9;s10;d11;s12;s13;s13;s13;s12;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s11d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-CJPLQFUECHKONH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54582602;CHEMBL1779871;CHEMBL1779871,Cc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCC2)CC3)ccc1,CJPLQFUECHKONH,CJPLQFUECHKONH-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c1-16-5-4-6-17(15-16)9-10-18-11-12-20-21(23-18)13-14-24(22(20)25)19-7-2-3-8-19/h4-6,11-12,15,19H,2-3,7-8,13-14H2,1H3","""AuxInfo=1/0/N:1,18,19,24,25,23,17,20,5,6,12,11,22,21,3,2,4,7,16,10,9,13,8,15,14/E:(2,3)(7,8)/rA:25CCCCCCCNCCCCCONCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s16;s17;s18;s16s19;s15;s9s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598492;CHEMBL1780496;CHEMBL1780498,PMID:21531137,2011.0,PubChemAID:598492;PMID:21531137;PMID:21531137,2012;2011;2011,0,0;1;0,0,0;0;1,1;0;0,,=,  8.125;  8.120;  6.170,7.472,0.92,0.6509999999999999,3.0,8.12,0.005
-CJRQMPXQCQEMTM_on_O15399_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.260;  4.690,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_O60391_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.260;  4.690,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.260;  4.690,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.260;  4.690,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  4.260,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.260;  4.690,4.475,0.215,0.215,2.0,4.475,0.215
-CJRQMPXQCQEMTM_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180178,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N,CJRQMPXQCQEMTM,CJRQMPXQCQEMTM-UHFFFAOYSA-N,"InChI=1S/C17H30N6O/c1-4-6-22(16(18)19)11-13-8-14(10-15(9-13)24-3)12-23(7-5-2)17(20)21/h8-10H,4-7,11-12H2,1-3H3,(H3,18,19)(H3,20,21)","""AuxInfo=1/1/N:1,13,20,2,12,3,11,7,21,17,5,9,6,8,18,22,14,23,24,15,16,4,10,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)(18,19,20,21)(22,23)/gE:(1,2)/rA:24CCCNCCCCCNCCCCNNCCOCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s19;s6d18;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  4.260,4.475,0.215,0.215,2.0,4.475,0.215
-CJSBLUOHVDULKB_on_Q14833_WT,High,ChEMBL30,CHEMBL4242608,CCn1nc(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,CJSBLUOHVDULKB,CJSBLUOHVDULKB-UHFFFAOYSA-N,"InChI=1S/C16H16N6/c1-3-22-14-7-6-11(9-12(14)10(2)21-22)18-16-15-13(19-20-16)5-4-8-17-15/h4-9H,3H2,1-2H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,6,2,17,18,10,9,16,22,5,11,7,19,8,14,13,15,12,20,21,4,3/rA:22CCNNCCCCCCCNCCNCCCCNNC/rB:s1;s2;s3;d4;s5;s5;s3d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-CJTFFAPMDBAOOA_on_O15399_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_O60391_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_Q05586_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_Q12879_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_Q13224_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTFFAPMDBAOOA_on_Q14957_WT,Low,ChEMBL30,CHEMBL82078,CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1,CJTFFAPMDBAOOA,CJTFFAPMDBAOOA-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-7-5-9-17(11-15)21-19(20)22-18-10-6-8-16(12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,6,20,5,19,7,21,22,14,2,16,4,15,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CJTLKLBSIFQKNT_on_P41594_WT,High,ChEMBL30,CHEMBL502882,Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1c(F)nccc1,CJTLKLBSIFQKNT,CJTLKLBSIFQKNT-UHFFFAOYSA-N,"InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3","""AuxInfo=1/0/N:13,14,1,11,25,26,5,16,24,6,15,12,2,4,20,3,21,8,22,23,17,18,10,7,19,9/E:(1,2)/rA:26CCCCCCNCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s10;s12;s12;s7;s4s15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-CJTLKLBSIFQKNT_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11245287;CHEMBL502882,Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1c(F)nccc1,CJTLKLBSIFQKNT,CJTLKLBSIFQKNT-UHFFFAOYSA-N,"InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3","""AuxInfo=1/0/N:13,14,1,11,25,26,5,16,24,6,15,12,2,4,20,3,21,8,22,23,17,18,10,7,19,9/E:(1,2)/rA:26CCCCCCNCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s10;s12;s12;s7;s4s15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923;CHEMBL1038283,PMID:18849168,2008.0,PubChemAID:446923;PMID:19692242,2010;2009,0;1,0,0,0,1;0,,=,  8.252;  8.250,8.251,0.001,0.001,2.0,8.251,0.001
-CJUDLNPALVYFAQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952383,Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1,CJUDLNPALVYFAQ,CJUDLNPALVYFAQ-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O/c1-12-9-15(10-13(2)25-12)19-18-5-7-28-8-6-27(18)21(26-19)14-3-4-16(20(23)24)17(22)11-14/h3-4,9-11,20H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,27,15,16,7,11,8,10,3,25,23,2,26,14,4,17,21,6,5,18,13,22,19,20,28,24,12,9/E:(1,2)(9,10)(12,13)(23,24)/rA:28CCCCCCCCOCCNCCCCCCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s18;s17;s21;s14d21;s5d13;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-CJVARLRPLSTDEB_on_P41594_WT,High,ChEMBL30,CHEMBL382681,CN1CC(=O)N=C1NC(=O)Nc1cccs1,CJVARLRPLSTDEB,CJVARLRPLSTDEB-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2S/c1-13-5-6(14)10-8(13)12-9(15)11-7-3-2-4-16-7/h2-4H,5H2,1H3,(H2,10,11,12,14,15)","""AuxInfo=1/1/N:1,14,13,15,3,4,12,7,9,6,11,8,2,5,10,16/rA:16CNCCONCNCONCCCCS/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-CJWUHHXGASLLJM_on_P31644_WT,High,ChEMBL30,CHEMBL3681594,CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1,CJWUHHXGASLLJM,CJWUHHXGASLLJM-UHFFFAOYSA-N,"InChI=1S/C17H17N5O3/c1-3-19-17(23)12-4-5-15(20-8-12)24-9-13-11(2)25-22-16(13)14-6-7-18-10-21-14/h4-8,10H,3,9H2,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,14,2,7,8,19,20,25,11,22,13,6,12,18,9,17,4,21,3,24,23,16,5,10,15/rA:25CCNCOCCCCOCCCCONCCCCNCNNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;d18;s19;d20;s21;s18d22;s9;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-CJYPUCKDMBCYEH_on_O00591_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_O14764_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P14867_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P18505_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P18507_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P28472_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P31644_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P34903_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P47869_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P47870_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P48169_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_P78334_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_Q16445_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJYPUCKDMBCYEH_on_Q99928_WT,Low,ChEMBL30,CHEMBL184173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1,CJYPUCKDMBCYEH,CJYPUCKDMBCYEH-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3F3N3S2/c1-25-14-11(9-2-3-10(18)26-9)13(22)24(23-14)12-7(16)4-6(5-8(12)17)15(19,20)21/h2-5H,22H2,1H3","""AuxInfo=1/0/N:1,22,23,9,15,10,7,16,21,24,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2,26/E:(4,5)(7,8)(16,17)(19,20,21)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCClS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-CJZCJYPUCACIAU_on_Q05586_WT,Low,ChEMBL30,CHEMBL593711,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1,CJZCJYPUCACIAU,CJZCJYPUCACIAU-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O3S2/c1-28(25,26)23-12-5-2-11(3-6-12)4-9-16(24)21-22-17(27)20-13-7-8-14(18)15(19)10-13/h2-3,5-8,10,23H,4,9H2,1H3,(H,21,24)(H2,20,22,27)","""AuxInfo=1/1/N:1,8,27,10,7,28,20,21,11,26,9,6,19,22,24,12,16,23,25,18,14,15,5,13,3,4,17,2/E:(2,3)(5,6)(25,26)/CRV:28.6/rA:28CSOONCCCCCCCONNCSNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-CJZCJYPUCACIAU_on_Q13224_WT,Low,ChEMBL30,CHEMBL593711,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1,CJZCJYPUCACIAU,CJZCJYPUCACIAU-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O3S2/c1-28(25,26)23-12-5-2-11(3-6-12)4-9-16(24)21-22-17(27)20-13-7-8-14(18)15(19)10-13/h2-3,5-8,10,23H,4,9H2,1H3,(H,21,24)(H2,20,22,27)","""AuxInfo=1/1/N:1,8,27,10,7,28,20,21,11,26,9,6,19,22,24,12,16,23,25,18,14,15,5,13,3,4,17,2/E:(2,3)(5,6)(25,26)/CRV:28.6/rA:28CSOONCCCCCCCONNCSNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-CJZPRDSADHCPJP_on_P41594_WT,Medium,ChEMBL30,CHEMBL2169905,Cc1nc(C(=O)Nc2nc(C)c(O)cc2)c(Nc2cccnc2)s1,CJZPRDSADHCPJP,CJZPRDSADHCPJP-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2S/c1-9-12(22)5-6-13(18-9)21-15(23)14-16(24-10(2)19-14)20-11-4-3-7-17-8-11/h3-8,20,22H,1-2H3,(H,18,21,23)","""AuxInfo=1/1/N:11,1,20,19,14,15,21,23,10,2,18,12,8,4,5,16,22,9,3,17,7,13,6,24/rA:24CCNCCONCNCCCOCCCNCCCCNCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;d10;s12;s12;s8d14;d4;s16;s17;d18;s19;d20;s21;s18d22;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-CKAWUTLAQPXABN_on_Q14643_WT,Medium,ChEMBL30,CHEMBL434103,O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,CKAWUTLAQPXABN,CKAWUTLAQPXABN-UHFFFAOYSA-N,"InChI=1S/C29H36NO16P3/c31-21(7-2-4-16-8-9-19-11-10-17-5-1-6-18-12-13-20(16)23(19)22(17)18)30-14-3-15-43-49(41,42)46-27-24(32)25(33)28(44-47(35,36)37)29(26(27)34)45-48(38,39)40/h1,5-6,8-13,24-29,32-34H,2-4,7,14-15H2,(H,30,31)(H,41,42)(H2,35,36,37)(H2,38,39,40)","""AuxInfo=1/1/N:14,4,24,5,13,15,3,7,8,11,10,17,18,23,25,6,12,16,9,19,2,21,20,32,34,48,31,36,42,22,1,33,35,49,39,40,41,45,46,47,28,29,26,37,43,30,38,44,27/E:(35,36,37)(38,39,40)(41,42)/rA:49OCCCCCCCCCCCCCCCCCCCCNCCCOPOOOCCOCOCOPOOOCOPOOOCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;d16;s17;s6d18;s9s19;s12s16d20;s2;s22;s23;s24;s25;s26;d27;s27;s27;s30;s31;s32;s32;s34;s34;s36;s37;d38;s38;s38;s36;s42;s43;d44;s44;s44;s31s42;s48;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  6.850;  5.580,6.215,0.635,0.635,2.0,6.215,0.635
-CKBJXWGBCBLAAX_on_P41594_WT,Low,ChEMBL30,CHEMBL1784075,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O,CKBJXWGBCBLAAX,CKBJXWGBCBLAAX-UHFFFAOYSA-N,"InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-12-11(6-10)23-9-26-12/h1,3-4,6-9H,5H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,24,20,6,13,12,5,7,26,4,10,8,14,23,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCSCNCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CKBJXWGBCBLAAX_on_Q13255_WT,High,ChEMBL30,CHEMBL1784075,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O,CKBJXWGBCBLAAX,CKBJXWGBCBLAAX-UHFFFAOYSA-N,"InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-12-11(6-10)23-9-26-12/h1,3-4,6-9H,5H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,24,20,6,13,12,5,7,26,4,10,8,14,23,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCSCNCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-CKGCXRPVZXISCP_on_P31644_WT,High,ChEMBL30,CHEMBL3681471,Cc1c(CNc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccccc2)no1,CKGCXRPVZXISCP,CKGCXRPVZXISCP-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-15-19(21(26-29-15)16-5-3-2-4-6-16)14-24-20-8-7-17(13-23-20)22(27)25-18-9-11-28-12-10-18/h2-8,13,18H,9-12,14H2,1H3,(H,23,24)(H,25,27)","""AuxInfo=1/1/N:1,25,24,26,23,27,8,7,14,18,15,17,19,4,2,22,9,13,3,6,21,10,20,5,12,28,11,16,29/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCNCCCCCONCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-CKGJMPDTCMOZRO_on_P41594_WT,High,ChEMBL30,CHEMBL3644381,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4coc(C)n4)C3=C2)cn1,CKGJMPDTCMOZRO,CKGJMPDTCMOZRO-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-13-10-25(12-23-13)20-8-19-17-5-3-4-16(18-11-28-14(2)24-18)15(17)6-7-26(19)21(27)9-22-20/h3-5,8,10-12H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:1,23,16,17,15,12,11,26,7,3,20,27,2,22,13,18,14,19,25,5,8,6,28,24,4,10,9,21/rA:28CCCNCNCCONCCCCCCCCCCOCCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;s21;s22;s19d22;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-CKGJMPDTCMOZRO_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644381,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4coc(C)n4)C3=C2)cn1,CKGJMPDTCMOZRO,CKGJMPDTCMOZRO-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-13-10-25(12-23-13)20-8-19-17-5-3-4-16(18-11-28-14(2)24-18)15(17)6-7-26(19)21(27)9-22-20/h3-5,8,10-12H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:1,23,16,17,15,12,11,26,7,3,20,27,2,22,13,18,14,19,25,5,8,6,28,24,4,10,9,21/rA:28CCCNCNCCONCCCCCCCCCCOCCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;s21;s22;s19d22;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKKHZUOZFHWLIY_on_P14867_WT,Low,ChEMBL30,CHEMBL231391,C=CCc1c(O)ccc(-c2ccc(O)c(CC=C)c2)c1,CKKHZUOZFHWLIY,CKKHZUOZFHWLIY-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,8,11,7,12,20,19,9,10,4,15,5,13,6,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-CKKHZUOZFHWLIY_on_P47870_WT,Low,ChEMBL30,CHEMBL231391,C=CCc1c(O)ccc(-c2ccc(O)c(CC=C)c2)c1,CKKHZUOZFHWLIY,CKKHZUOZFHWLIY-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-15-11-13(7-9-17(15)19)14-8-10-18(20)16(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,8,11,7,12,20,19,9,10,4,15,5,13,6,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-CKLHBXPMCQHQLM_on_Q14416_WT,High,ChEMBL30,CHEMBL3920609,CCCc1c(OCc2ccc(Oc3cccc(-c4n[nH]nn4)c3)nc2)ccc(C(C)=O)c1O,CKLHBXPMCQHQLM,CKLHBXPMCQHQLM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-5-20-21(10-9-19(15(2)30)23(20)31)32-14-16-8-11-22(25-13-16)33-18-7-4-6-17(12-18)24-26-28-29-27-24/h4,6-13,31H,3,5,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,15,3,16,14,9,27,26,10,23,25,7,29,8,17,13,28,4,5,11,32,18,24,19,22,20,21,31,33,6,12/E:(26,27)(28,29)/rA:33CCCCCOCCCCCOCCCCCCNNNNCNCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;d18;s19;s20;s18d21;s13d17;s11;s8d24;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-CKLPLPZSUQEDRT_on_O15399_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_O60391_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P14867_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P18505_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P28472_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P31644_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P34903_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P47869_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P47870_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_P48169_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL1247908,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKLPLPZSUQEDRT_on_Q16445_WT,Low,ChEMBL30,CHEMBL1082723,CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1,CKLPLPZSUQEDRT,CKLPLPZSUQEDRT-UHFFFAOYSA-N,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,26,3,22,9,14,2,23,8,4,21,12,10,20,7,5,17,15,24,13,11,6,19,16,18/rA:26CCCCCNCCCCFCClCCNCONCCCCClCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s10;s12;s7d12;s5;s2s15;s15;d17;s17;s19;s15d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1247887,PMID:20813948,2010.0,PMID:20813948,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CKMRXGUDSNAKMN_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1779003;53248849,COc1cc(F)ccc1-c1cc(CNC2CCCC2)cnc1,CKMRXGUDSNAKMN,CKMRXGUDSNAKMN-UHFFFAOYSA-N,"InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,19,7,8,11,4,20,13,22,12,10,5,15,9,3,6,21,14,2/E:(2,3)(4,5)/rA:22COCCCFCCCCCCCNCCCCCCNC/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s12;s13;s14;s15;s16;s17;s15s18;d12;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1781194;PubChemAID:598080,PMID:21524576,2011.0,PMID:21524576;PubChemAID:598080,2011;2012,1;0,0,0,0,0;1,,=,  6.110;  6.114,6.112,0.002,0.002,2.0,6.112,0.002
-CKNJDYZHRNCGNV_on_Q14416_WT,High,ChEMBL30,CHEMBL1097378,CCc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,CKNJDYZHRNCGNV,CKNJDYZHRNCGNV-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-2-14-8-10-16(11-9-14)21-13-17-12-19(18(20)22-17)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,22,5,21,10,8,3,12,6,9,18,11,19,7,20/E:(4,5)(6,7)(8,9)(10,11)/rA:22CCCCCCOCCCNCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;d18;s9s18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-CKPDPPZRMSOYJQ_on_Q14416_WT,High,ChEMBL30,CHEMBL4075762,OC1CCC(Nc2c(Cl)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)CC1,CKPDPPZRMSOYJQ,CKPDPPZRMSOYJQ-UHFFFAOYSA-N,"InChI=1S/C20H19Cl2F3N4O/c21-15-9-11(1-6-16(15)26-12-2-4-13(30)5-3-12)14-7-8-29-17(10-20(23,24)25)27-28-19(29)18(14)22/h1,6-9,12-13,26,30H,2-5,10H2","""AuxInfo=1/0/N:27,4,29,3,30,28,26,25,10,19,11,5,2,12,8,7,18,13,15,20,9,14,21,22,23,6,17,16,24,1/E:(2,3)(4,5)(23,24,25)/rA:30OCCCCNCCClCCCCClCNNCCCFFFNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;d15;s16;d17;s18;s19;s20;s20;s20;s15s18;s24;s12d25;s11;s7d27;s5;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.970;  7.380;  8.220,7.857,0.35200000000000004,0.249,3.0,7.97,0.25
-CKRAKFPHOFYTPO_on_P41594_WT,High,ChEMBL30,CHEMBL3702372,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(F)ccc3,CKRAKFPHOFYTPO,CKRAKFPHOFYTPO-UHFFFAOYSA-N,"InChI=1S/C17H13FN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-CKRAKFPHOFYTPO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702372,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(F)ccc3,CKRAKFPHOFYTPO,CKRAKFPHOFYTPO-UHFFFAOYSA-N,"InChI=1S/C17H13FN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-CKUZZJJDLFBRDE_on_O00591_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_O14764_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P14867_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P18505_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P18507_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P28472_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P31644_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P34903_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P47869_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P47870_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P48169_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_P78334_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKUZZJJDLFBRDE_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322865,Nc1ccc(CC(=O)O)cn1,CKUZZJJDLFBRDE,CKUZZJJDLFBRDE-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,6,10,5,2,7,1,11,8,9/E:(10,11)/rA:11NCCCCCCOOCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s5;s2d10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.050;  4.050,4.05,0.0,0.0,2.0,4.05,0.0
-CKZVPJOTELQSHC_on_O00591_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_O14764_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_P14867_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.730;  5.760;  7.800,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P18505_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.730;  5.760;  7.800,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P18507_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_P28472_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.800;  5.730;  5.760,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P31644_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.730;  5.760;  7.800,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P34903_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.730;  5.760;  7.800,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P47869_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.800;  5.730;  5.760,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P47870_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.800;  5.760;  5.730,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P48169_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430053;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0,1;0;1,0,0,0,,=,  5.760;  7.800;  5.730,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_P78334_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVPJOTELQSHC_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.760;  5.730;  7.800,6.43,0.9690000000000001,0.685,3.0,5.76,0.03
-CKZVPJOTELQSHC_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427542,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1,CKZVPJOTELQSHC,CKZVPJOTELQSHC-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,27,28,8,9,30,29,5,12,4,13,26,32,22,19,7,23,6,11,10,31,16,17,24,2,14,25,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-CKZVZHCCDNZZSV_on_Q14416_WT,High,ChEMBL30,CHEMBL3973048,CC(=O)c1c(O)c(C(F)(F)F)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1,CKZVZHCCDNZZSV,CKZVZHCCDNZZSV-UHFFFAOYSA-N,"InChI=1S/C22H16F3N5O4/c1-12(31)16-6-7-17(19(20(16)32)22(23,24)25)33-11-13-3-2-4-15(9-13)34-18-8-5-14(10-26-18)21-27-29-30-28-21/h2-10,32H,11H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,17,16,18,23,34,33,22,32,30,14,2,15,24,19,4,12,21,7,5,25,8,9,10,11,31,26,29,27,28,3,6,13,20/E:(23,24,25)(27,28)(29,30)/rA:34CCOCCOCCFFFCOCCCCCCOCCCCCNNNNCNCCC/rB:s1;d2;s2;d4;s5;s5;s7;s8;s8;s8;d7;s12;s13;s14;d15;s16;d17;s18;s19;s20;d21;s22;d23;s24;d25;s26;s27;s25d28;s24;s21d30;s15d19;s12;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-CLFOEABOGBHCIT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL105065,CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(C)c2ccccc2)ccc1,CLFOEABOGBHCIT,CLFOEABOGBHCIT-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16,18H,3,17H2,1-2H3","""AuxInfo=1/0/N:1,18,2,22,21,23,26,12,13,20,24,25,27,11,15,9,7,17,8,19,16,14,10,6,4,5,3/E:(5,6)(10,11)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s17;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-CLMNGHYEDSVQIK_on_P14867_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-CLMNGHYEDSVQIK_on_P18507_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273619;CHEMBL1273620;CHEMBL1273616;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.560;  6.790;  5.300;  7.890;  8.620,7.232,1.131,0.565,5.0,7.56,0.77
-CLMNGHYEDSVQIK_on_P28472_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273620;CHEMBL1273617;CHEMBL1273616;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.620;  5.300;  7.560;  7.890;  6.790,7.232,1.131,0.565,5.0,7.56,0.77
-CLMNGHYEDSVQIK_on_P31644_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-CLMNGHYEDSVQIK_on_P34903_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-CLMNGHYEDSVQIK_on_P47869_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-CLMNGHYEDSVQIK_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270248,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,CLMNGHYEDSVQIK,CLMNGHYEDSVQIK-UHFFFAOYSA-N,"InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,21,5/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-CLNSBBGMVCOWRI_on_P41594_WT,Low,ChEMBL30,CHEMBL2069377,Cc1nc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1,CLNSBBGMVCOWRI,CLNSBBGMVCOWRI-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O2/c1-11-3-2-4-15(20-11)17-21-18(25-22-17)12-9-16(24)23(10-12)14-7-5-13(19)6-8-14/h2-8,12H,9-10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,19,15,20,10,21,2,9,17,14,4,11,5,8,18,3,22,6,13,12,7/E:(5,6)(7,8)/rA:25CCNCCNOCCCCONCCCCClCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9s13;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CLOBRFOJYSYUJF_on_O15399_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_O60391_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_Q05586_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_Q12879_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_Q13224_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLOBRFOJYSYUJF_on_Q14957_WT,Low,ChEMBL30,CHEMBL168496,Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1,CLOBRFOJYSYUJF,CLOBRFOJYSYUJF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,12,5,11,6,8,21,19,2,13,14,3,9,4,20,10,7/rA:21CCCNCCOCCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s3;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-CLPQGMOACOHIET_on_Q14416_WT,High,ChEMBL30,CHEMBL2152118,N#Cc1c(-c2cc3c(c(Cl)c2)n(CC2CC2)cc3)ccn2c(CC(F)(F)F)cnc12,CLPQGMOACOHIET,CLPQGMOACOHIET-UHFFFAOYSA-N,"InChI=1S/C22H16ClF3N4/c23-19-8-15(7-14-3-5-29(20(14)19)12-13-1-2-13)17-4-6-30-16(9-22(24,25)26)11-28-21(30)18(17)10-27/h3-8,11,13H,1-2,9,12H2","""AuxInfo=1/0/N:15,16,18,19,17,20,6,11,23,2,28,13,14,7,5,22,4,3,9,8,30,24,10,25,26,27,1,29,12,21/E:(1,2)(24,25,26)/rA:30NCCCCCCCCClCNCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s8;s12;s13;s14;s14s15;s12;s7d17;s4;d19;s20;s21;s22;s23;s24;s24;s24;d22;s28;s3s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-CLQVVBPDAXJGBV_on_Q14833_WT,High,ChEMBL30,CHEMBL477396,Cc1ccc(-n2ncc3c2ncnc3N2CCCC(C)C2)c(C)c1,CLQVVBPDAXJGBV,CLQVVBPDAXJGBV-UHFFFAOYSA-N,"InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,20,23,17,18,3,4,16,24,8,21,12,2,19,22,9,5,14,10,13,11,7,15,6/rA:24CCCCCNNCCCNCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;s15;s16;s17;s18;s19;s15s19;s5;s22;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL995009,PMID:18793851,2008.0,PMID:18793851,2008,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-CLUOEBHFBUOQEH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3961948,NC(=O)c1cc(C2CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1,CLUOEBHFBUOQEH,CLUOEBHFBUOQEH-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c22-21(27)18-11-16(14-4-2-1-3-5-14)15-7-6-13(10-17(15)23-18)12-24-19(25)8-9-20(24)26/h6-7,10-11,14H,1-5,8-9,12H2,(H2,22,27)","""AuxInfo=1/1/N:10,9,11,8,12,15,14,21,22,25,5,17,16,7,13,6,26,4,19,23,2,1,27,18,20,24,3/E:(2,3)(4,5)(8,9)(19,20)(25,26)/rA:27NCOCCCCCCCCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;s7;s8;s9;s10;s7s11;d6;s13;d14;s15;s16;s17;s18;d19;s19;s21;s18s22;d23;d16;s13s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CLWGKJWYXFQQHA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104296,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(Oc2ccccc2)cc1,CLWGKJWYXFQQHA,CLWGKJWYXFQQHA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-7-6-14-21-15-17)18-10-12-20(13-11-18)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,12,13,20,24,15,26,16,25,11,9,7,8,14,19,17,10,6,4,5,18,3/E:(4,5)(8,9)(10,11)(12,13)(23,24)/CRV:26.6/rA:26CCSOONCCCNCCCCCCCOCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:12852748,2003.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-CLWGKJWYXFQQHA_on_Q14832_WT,Low,ChEMBL30,CHEMBL104296,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(Oc2ccccc2)cc1,CLWGKJWYXFQQHA,CLWGKJWYXFQQHA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-7-6-14-21-15-17)18-10-12-20(13-11-18)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,12,13,20,24,15,26,16,25,11,9,7,8,14,19,17,10,6,4,5,18,3/E:(4,5)(8,9)(10,11)(12,13)(23,24)/CRV:26.6/rA:26CCSOONCCCNCCCCCCCOCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718737,PMID:12852748,2003.0,PMID:12852748,2003,0,1,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-CLXRPRPXESZNAC_on_P41594_WT,Low,ChEMBL30,CHEMBL2338593,COc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1,CLXRPRPXESZNAC,CLXRPRPXESZNAC-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3/c1-26-17-9-4-6-14(12-17)19(24)22-15-7-5-8-16(13-15)23-20(25)18-10-2-3-11-21-18/h2-4,6,9-12,15-16H,5,7-8,13H2,1H3,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:1,23,22,5,13,6,12,14,4,24,21,26,25,7,11,15,3,19,8,17,20,10,16,9,18,2/rA:26COCCCCCCONCCCCCNCOCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s11s15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CLYGEPUTTXMDBI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1290548;52946222,O=C(COCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,CLYGEPUTTXMDBI,CLYGEPUTTXMDBI-UHFFFAOYSA-N,"InChI=1S/C19H21ClN2O2/c20-17-7-4-8-18(13-17)21-9-11-22(12-10-21)19(23)15-24-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2","""AuxInfo=1/0/N:9,8,10,18,7,11,19,17,14,23,13,24,22,5,3,6,20,16,2,21,15,12,1,4/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCCOCCCCCCCNCCNCCCCCClCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.170;  5.174,5.172000000000001,0.002,0.002,2.0,5.172000000000001,0.002
-CMBWNHOKELKKKB_on_P18507_WT,Low,ChEMBL30,CHEMBL565316,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(Br)c3)-n2cn1,CMBWNHOKELKKKB,CMBWNHOKELKKKB-UHFFFAOYSA-N,"InChI=1S/C22H18BrN5O2/c1-2-30-22(29)20-18-12-27-19(10-14-6-4-3-5-7-14)25-26-21(27)16-11-15(23)8-9-17(16)28(18)13-24-20/h3-9,11,13H,2,10,12H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,24,23,11,27,8,29,12,25,21,22,7,10,6,20,4,26,30,18,19,9,28,5,3/E:(4,5)(6,7)/rA:30CCOCOCCCNCCCCCCCCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s21d25;s7s22;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-CMBWNHOKELKKKB_on_P28472_WT,Low,ChEMBL30,CHEMBL565316,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(Br)c3)-n2cn1,CMBWNHOKELKKKB,CMBWNHOKELKKKB-UHFFFAOYSA-N,"InChI=1S/C22H18BrN5O2/c1-2-30-22(29)20-18-12-27-19(10-14-6-4-3-5-7-14)25-26-21(27)16-11-15(23)8-9-17(16)28(18)13-24-20/h3-9,11,13H,2,10,12H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,24,23,11,27,8,29,12,25,21,22,7,10,6,20,4,26,30,18,19,9,28,5,3/E:(4,5)(6,7)/rA:30CCOCOCCCNCCCCCCCCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s21d25;s7s22;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-CMBWNHOKELKKKB_on_P31644_WT,Low,ChEMBL30,CHEMBL565316,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(Br)c3)-n2cn1,CMBWNHOKELKKKB,CMBWNHOKELKKKB-UHFFFAOYSA-N,"InChI=1S/C22H18BrN5O2/c1-2-30-22(29)20-18-12-27-19(10-14-6-4-3-5-7-14)25-26-21(27)16-11-15(23)8-9-17(16)28(18)13-24-20/h3-9,11,13H,2,10,12H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,24,23,11,27,8,29,12,25,21,22,7,10,6,20,4,26,30,18,19,9,28,5,3/E:(4,5)(6,7)/rA:30CCOCOCCCNCCCCCCCCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s21d25;s7s22;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-CMKFVCOUPURYTM_on_Q05586_WT,Low,ChEMBL30,CHEMBL478667,Clc1cc2c(cc1)c(NCCCNCCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2,CMKFVCOUPURYTM,CMKFVCOUPURYTM-UHFFFAOYSA-N,"InChI=1S/C32H35ClN4O/c33-22-15-16-25-29(21-22)37-27-12-4-2-10-24(27)32(25)35-19-8-18-34-17-5-6-20-38-30-14-7-13-28-31(30)23-9-1-3-11-26(23)36-28/h1,3,7,9,11,13-16,21,34,36H,2,4-6,8,10,12,17-20H2,(H,35,37)","""AuxInfo=1/1/N:29,34,28,35,15,16,21,11,30,33,27,36,22,20,7,6,14,12,10,17,3,2,25,32,5,26,37,23,4,19,24,8,1,13,9,31,38,18/rA:38ClCCCCCCCNCCCNCCCCOCCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s26;d27;s28;s25d29;s23s26;d8;s32;s33;s34;s35;s32s36;s4d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-CMKFVCOUPURYTM_on_Q13224_WT,Low,ChEMBL30,CHEMBL478667,Clc1cc2c(cc1)c(NCCCNCCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2,CMKFVCOUPURYTM,CMKFVCOUPURYTM-UHFFFAOYSA-N,"InChI=1S/C32H35ClN4O/c33-22-15-16-25-29(21-22)37-27-12-4-2-10-24(27)32(25)35-19-8-18-34-17-5-6-20-38-30-14-7-13-28-31(30)23-9-1-3-11-26(23)36-28/h1,3,7,9,11,13-16,21,34,36H,2,4-6,8,10,12,17-20H2,(H,35,37)","""AuxInfo=1/1/N:29,34,28,35,15,16,21,11,30,33,27,36,22,20,7,6,14,12,10,17,3,2,25,32,5,26,37,23,4,19,24,8,1,13,9,31,38,18/rA:38ClCCCCCCCNCCCNCCCCOCCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s26;d27;s28;s25d29;s23s26;d8;s32;s33;s34;s35;s32s36;s4d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-CMKFZDSKDCQEDG_on_P41594_WT,High,ChEMBL30,CHEMBL3644412,Cc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(F)cn4)C3=C2)cn1,CMKFZDSKDCQEDG,CMKFZDSKDCQEDG-UHFFFAOYSA-N,"InChI=1S/C20H16FN7O/c1-12-25-11-28(26-12)19-7-17-15-4-2-3-14(16-8-23-18(21)9-22-16)13(15)5-6-27(17)20(29)10-24-19/h2-4,7-9,11H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,27,20,24,7,28,2,13,18,14,19,26,22,5,8,23,25,21,6,29,3,10,4,9/rA:29CCNNCNCCONCCCCCCCCCCNCFCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s22;s19d24;s10s14;s5w?26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-CMKFZDSKDCQEDG_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644412,Cc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(F)cn4)C3=C2)cn1,CMKFZDSKDCQEDG,CMKFZDSKDCQEDG-UHFFFAOYSA-N,"InChI=1S/C20H16FN7O/c1-12-25-11-28(26-12)19-7-17-15-4-2-3-14(16-8-23-18(21)9-22-16)13(15)5-6-27(17)20(29)10-24-19/h2-4,7-9,11H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,27,20,24,7,28,2,13,18,14,19,26,22,5,8,23,25,21,6,29,3,10,4,9/rA:29CCNNCNCCONCCCCCCCCCCNCFCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s22;s19d24;s10s14;s5w?26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CMLOGIAOLIBOQF_on_Q14833_WT,Low,ChEMBL30,CHEMBL584209,O=C(O)C1CCCCC1C(=O)Nc1ccccc1,CMLOGIAOLIBOQF,CMLOGIAOLIBOQF-UHFFFAOYSA-N,"InChI=1S/C14H17NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:16,15,17,7,6,14,18,8,5,13,9,4,10,2,12,11,1,3/E:(2,3)(6,7)(17,18)/rA:18OCOCCCCCCCONCCCCCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CMLVJJVYIVBZNH_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11304010;CHEMBL1629864,Cc1cc(-c2cc(C3=Nc4c(cc(Cl)c(Cl)c4)NC(=O)C3)ccc2)ccn1,CMLVJJVYIVBZNH,CMLVJJVYIVBZNH-UHFFFAOYSA-N,"InChI=1S/C21H15Cl2N3O/c1-12-7-14(5-6-24-12)13-3-2-4-15(8-13)18-11-21(27)26-20-10-17(23)16(22)9-19(20)25-18/h2-10H,11H2,1H3,(H,26,27)","""AuxInfo=1/1/N:1,23,24,22,25,26,3,6,17,12,21,2,5,4,7,15,13,8,10,11,19,16,14,27,9,18,20/rA:27CCCCCCCCNCCCCClCClCNCOCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;w?8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s18;d19;s8s19;d7;s22;s5d23;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:548400;CHEMBL1639554,PMID:20971004,2010.0,PubChemAID:548400;PMID:20971004,2011;2010,0;1,0,0,0,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-CMONBQNOTZZEIC_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL607195;46225358,FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3c(cccc3)n2Cc2ccccc2)CC1,CMONBQNOTZZEIC,CMONBQNOTZZEIC-UHFFFAOYSA-N,"InChI=1S/C25H23ClF3N5/c26-22-11-10-19(25(27,28)29)24(31-22)33-14-12-32(13-15-33)17-23-30-20-8-4-5-9-21(20)34(23)16-18-6-2-1-3-7-18/h1-11H,12-17H2","""AuxInfo=1/0/N:30,29,31,23,22,28,32,24,21,6,7,14,33,13,34,26,16,27,5,19,20,8,17,11,2,9,1,3,4,18,10,15,12,25/E:(2,3)(6,7)(12,13)(14,15)(27,28,29)/rA:34FCFFCCCCClNCNCCNCCNCCCCCCNCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s8;s5d10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s17s20;s25;s26;d27;s28;d29;s30;s27d31;s15;s12s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;PubChemAID:453995,PMID:20005096,2010.0,PMID:20005096;PubChemAID:453995,2010,0,1;0,0,0,0;1,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-CMQFHJOZZOTDIK_on_P14867_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CMQFHJOZZOTDIK_on_P18507_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850;  7.580;  7.000,7.143,0.315,0.223,3.0,7.0,0.15
-CMQFHJOZZOTDIK_on_P28472_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.580;  6.850;  7.000,7.143,0.315,0.223,3.0,7.0,0.15
-CMQFHJOZZOTDIK_on_P31644_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-CMQFHJOZZOTDIK_on_P34903_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-CMQFHJOZZOTDIK_on_P47869_WT,Low,ChEMBL30,CHEMBL179430,Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,CMQFHJOZZOTDIK,CMQFHJOZZOTDIK-UHFFFAOYSA-N,"InChI=1S/C21H20N6OS/c1-12-11-29-21(23-12)19-25-24-18-16-13-5-7-14(8-6-13)17(16)20(26-27(18)19)28-10-15-4-2-3-9-22-15/h2-4,9,11,13-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,3,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,22,13,4/E:(5,6)(7,8)/rA:29CCCSCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-CMQYLUOQMIBJQA_on_Q14416_WT,High,ChEMBL30,CHEMBL2029788,COc1cccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)c1,CMQYLUOQMIBJQA,CMQYLUOQMIBJQA-UHFFFAOYSA-N,"InChI=1S/C18H20N2O2/c1-13(2)7-9-20-10-8-16(17(12-19)18(20)21)14-5-4-6-15(11-14)22-3/h4-6,8,10-11,13H,7,9H2,1-3H3","""AuxInfo=1/0/N:18,19,1,5,6,4,16,21,15,20,22,10,17,7,3,8,9,12,11,14,13,2/E:(1,2)/rA:22COCCCCCCCCNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;t10;s9;d12;s12;s14;s15;s16;s17;s17;s14;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-CMRJVDJLBFKXKL_on_P18507_WT,Low,ChEMBL30,CHEMBL206818,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccc4)c3)c2)c(F)c1,CMRJVDJLBFKXKL,CMRJVDJLBFKXKL-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H,"""AuxInfo=1/0/N:22,21,23,20,10,9,25,24,28,13,3,11,12,2,17,6,18,7,26,16,5,1,19,8,27,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.770;  9.150,8.96,0.19,0.19,2.0,8.96,0.19
-CMRJVDJLBFKXKL_on_P28472_WT,Low,ChEMBL30,CHEMBL206818,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccc4)c3)c2)c(F)c1,CMRJVDJLBFKXKL,CMRJVDJLBFKXKL-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H,"""AuxInfo=1/0/N:22,21,23,20,10,9,25,24,28,13,3,11,12,2,17,6,18,7,26,16,5,1,19,8,27,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.150;  8.770,8.96,0.19,0.19,2.0,8.96,0.19
-CMRJVDJLBFKXKL_on_P31644_WT,Low,ChEMBL30,CHEMBL206818,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccc4)c3)c2)c(F)c1,CMRJVDJLBFKXKL,CMRJVDJLBFKXKL-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H,"""AuxInfo=1/0/N:22,21,23,20,10,9,25,24,28,13,3,11,12,2,17,6,18,7,26,16,5,1,19,8,27,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-CMRJVDJLBFKXKL_on_P34903_WT,Low,ChEMBL30,CHEMBL206818,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccc4)c3)c2)c(F)c1,CMRJVDJLBFKXKL,CMRJVDJLBFKXKL-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H,"""AuxInfo=1/0/N:22,21,23,20,10,9,25,24,28,13,3,11,12,2,17,6,18,7,26,16,5,1,19,8,27,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCCCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-CMSKDYKEKYIJSD_on_P14867_WT,Low,ChEMBL30,CHEMBL224561,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CMSKDYKEKYIJSD,CMSKDYKEKYIJSD-UHFFFAOYSA-N,"InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,27,25,28,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:28CNNCNCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-CMSKDYKEKYIJSD_on_P18507_WT,Low,ChEMBL30,CHEMBL224561,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CMSKDYKEKYIJSD,CMSKDYKEKYIJSD-UHFFFAOYSA-N,"InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,27,25,28,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:28CNNCNCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919089;CHEMBL919087;CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.470;  9.420;  9.140,9.343,0.145,0.10300000000000001,3.0,9.42,0.05
-CMSKDYKEKYIJSD_on_P28472_WT,Low,ChEMBL30,CHEMBL224561,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CMSKDYKEKYIJSD,CMSKDYKEKYIJSD-UHFFFAOYSA-N,"InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,27,25,28,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:28CNNCNCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919087;CHEMBL919089;CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.420;  9.470;  9.140,9.343,0.145,0.10300000000000001,3.0,9.42,0.05
-CMSKDYKEKYIJSD_on_P34903_WT,Low,ChEMBL30,CHEMBL224561,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CMSKDYKEKYIJSD,CMSKDYKEKYIJSD-UHFFFAOYSA-N,"InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,27,25,28,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:28CNNCNCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.470,9.47,0.0,0.0,1.0,9.47,0.0
-CMSKDYKEKYIJSD_on_P47869_WT,Low,ChEMBL30,CHEMBL224561,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1,CMSKDYKEKYIJSD,CMSKDYKEKYIJSD-UHFFFAOYSA-N,"InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,27,25,28,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:28CNNCNCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.140,9.14,0.0,0.0,1.0,9.14,0.0
-CMSWIWJBEZTKAF_on_P41594_WT,High,ChEMBL30,CHEMBL1682798,O=C1NCc2c1ccc(C#Cc1ccccc1)c2,CMSWIWJBEZTKAF,CMSWIWJBEZTKAF-UHFFFAOYSA-N,"InChI=1S/C16H11NO/c18-16-15-9-8-13(10-14(15)11-17-16)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2,(H,17,18)","""AuxInfo=1/1/N:15,14,16,13,17,11,10,8,7,18,4,12,9,5,6,2,3,1/E:(2,3)(4,5)/rA:18OCNCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.530;  7.530,7.53,0.0,0.0,2.0,7.53,0.0
-CMUJABAHLCISIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-CMUJABAHLCISIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550;  7.720;  7.600;  7.370,7.81,0.445,0.257,4.0,7.66,0.175
-CMUJABAHLCISIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370;  8.550;  7.600;  7.720,7.81,0.445,0.257,4.0,7.66,0.175
-CMUJABAHLCISIQ_on_P31644_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-CMUJABAHLCISIQ_on_P34903_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-CMUJABAHLCISIQ_on_P47869_WT,Low,ChEMBL30,CHEMBL359650,c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1,CMUJABAHLCISIQ,CMUJABAHLCISIQ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O/c1-2-4-14(5-3-1)18-24-25-19-16-12-6-8-13(9-7-12)17(16)20(26-27(18)19)28-10-15-21-11-22-23-15/h1-5,11-13H,6-10H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,13,17,24,21,4,14,9,10,5,8,11,18,16,15,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNNCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-CMVOXBANCLVCTG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104191,CCS(=O)(=O)N(Cc1cnccc1)c1cc(COc2ccccc2)ccc1,CMVOXBANCLVCTG,CMVOXBANCLVCTG-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-9-7-13-22-15-19)20-10-6-8-18(14-20)17-26-21-11-4-3-5-12-21/h3-15H,2,16-17H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,26,12,25,13,27,20,24,11,15,9,7,17,16,8,14,19,10,6,4,5,18,3/E:(4,5)(11,12)(24,25)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-CMVZUGQWJUPOJA_on_O00591_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_O14764_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_P14867_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P18505_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.380;  5.990,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P18507_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_P28472_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P31644_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P34903_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P47869_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P47870_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.380;  5.990,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P48169_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_P78334_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMVZUGQWJUPOJA_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.990;  7.380,6.685,0.695,0.695,2.0,6.685,0.695
-CMVZUGQWJUPOJA_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427541,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1,CMVZUGQWJUPOJA,CMVZUGQWJUPOJA-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,24,23,8,9,30,29,5,12,4,13,25,32,21,19,7,22,6,11,10,31,16,17,27,2,14,26,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-CMWBJBAILPBLIB_on_Q05586_WT,Low,ChEMBL30,CHEMBL3970291,N#CC1CC1c1c(F)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,CMWBJBAILPBLIB,CMWBJBAILPBLIB-UHFFFAOYSA-N,"InChI=1S/C17H10ClF4N5O/c18-13-5-12(17(20,21)22)25-26(13)7-9-4-15(28)27-14(24-9)2-1-11(19)16(27)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,24,8,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCFCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-CMWBJBAILPBLIB_on_Q12879_WT,Low,ChEMBL30,CHEMBL3970291,N#CC1CC1c1c(F)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,CMWBJBAILPBLIB,CMWBJBAILPBLIB-UHFFFAOYSA-N,"InChI=1S/C17H10ClF4N5O/c18-13-5-12(17(20,21)22)25-26(13)7-9-4-15(28)27-14(24-9)2-1-11(19)16(27)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,24,8,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCFCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-CMXBVWMFNJBRCT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3951739,COc1ccc(Nc2c3ncccc3n[nH]2)cc1OC(F)F,CMXBVWMFNJBRCT,CMXBVWMFNJBRCT-UHFFFAOYSA-N,"InChI=1S/C14H12F2N4O2/c1-21-10-5-4-8(7-11(10)22-14(15)16)18-13-12-9(19-20-13)3-2-6-17-12/h2-7,14H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,12,13,5,4,11,17,6,14,3,18,9,8,20,21,22,10,7,15,16,2,19/E:(15,16)/rA:22COCCCCNCCNCCCCNNCCOCFF/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s3d17;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-CMXNRTCHXFCWOX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258681,CNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,CMXNRTCHXFCWOX,CMXNRTCHXFCWOX-UHFFFAOYSA-N,"InChI=1S/C17H20F3N5O2S/c1-22-6-9-7-25(24-14(9)17(18,19)20)8-12(26)23-16-13(15(21)27)10-4-2-3-5-11(10)28-16/h7,22H,2-6,8H2,1H3,(H2,21,27)(H,23,26)","""AuxInfo=1/1/N:1,20,19,21,18,3,5,7,4,16,17,8,12,24,13,11,25,26,27,28,14,2,10,23,6,9,15,22/E:(18,19,20)/rA:28CNCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s12;d16;s17;s18;s19;s16s20;s11s17;s6;s4d23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-CNBBALBKWKNMJK_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951883;16118815,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,CNBBALBKWKNMJK,CNBBALBKWKNMJK-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-21(2)16-14-13-8-9-22(11-4-6-12(24-3)7-5-11)18(23)15(13)25-17(14)20-10-19-16/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,9,8,20,6,3,10,14,11,15,13,22,19,21,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCCCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.190;  8.194,8.192,0.002,0.002,2.0,8.192,0.002
-CNBSEOHDTNDGOV_on_Q14416_WT,High,ChEMBL30,CHEMBL3953570,NC1(C(=O)O)C(OCc2cc(Cl)ccc2)C(O)C2C(C(=O)O)C21,CNBSEOHDTNDGOV,CNBSEOHDTNDGOV-UHFFFAOYSA-N,"InChI=1S/C15H16ClNO6/c16-7-3-1-2-6(4-7)5-23-12-11(18)8-9(13(19)20)10(8)15(12,17)14(21)22/h1-4,8-12,18H,5,17H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,15,13,10,8,9,11,18,19,23,16,6,20,3,2,12,1,17,21,22,4,5,7/E:(19,20)(21,22)/rA:23NCCOOCOCCCCClCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s6;s16;s16;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-CNBSEOHDTNDGOV_on_Q14832_WT,High,ChEMBL30,CHEMBL3953570,NC1(C(=O)O)C(OCc2cc(Cl)ccc2)C(O)C2C(C(=O)O)C21,CNBSEOHDTNDGOV,CNBSEOHDTNDGOV-UHFFFAOYSA-N,"InChI=1S/C15H16ClNO6/c16-7-3-1-2-6(4-7)5-23-12-11(18)8-9(13(19)20)10(8)15(12,17)14(21)22/h1-4,8-12,18H,5,17H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,15,13,10,8,9,11,18,19,23,16,6,20,3,2,12,1,17,21,22,4,5,7/E:(19,20)(21,22)/rA:23NCCOOCOCCCCClCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s6;s16;s16;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-CNCJROICTJZDEO_on_P31644_WT,High,ChEMBL30,CHEMBL3681542,Cc1noc(-c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)n1,CNCJROICTJZDEO,CNCJROICTJZDEO-UHFFFAOYSA-N,"InChI=1S/C19H16N4O3/c1-12-16(18(23-25-12)14-6-4-3-5-7-14)11-24-17-9-8-15(10-20-17)19-21-13(2)22-26-19/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:14,1,21,20,22,19,23,7,8,25,11,13,2,18,6,12,9,17,5,24,26,3,16,10,15,4/E:(4,5)(6,7)/rA:26CCNOCCCCCOCCCCONCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;d18;s19;d20;s21;s18d22;s9;s6d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-CNDAXLGGGKGYAE_on_Q12879_WT,Medium,ChEMBL30,CHEMBL150403,Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,CNDAXLGGGKGYAE,CNDAXLGGGKGYAE-UHFFFAOYSA-N,"InChI=1S/C17H24N4S2/c18-16-19-20-17(23-16)22-12-4-9-21-10-7-15(8-11-21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,19)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,3,4,10,6,23/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-CNDAXLGGGKGYAE_on_Q13224_WT,Medium,ChEMBL30,CHEMBL150403,Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,CNDAXLGGGKGYAE,CNDAXLGGGKGYAE-UHFFFAOYSA-N,"InChI=1S/C17H24N4S2/c18-16-19-20-17(23-16)22-12-4-9-21-10-7-15(8-11-21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,19)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,3,4,10,6,23/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-CNDAXLGGGKGYAE_on_Q14957_WT,Low,ChEMBL30,CHEMBL150403,Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1,CNDAXLGGGKGYAE,CNDAXLGGGKGYAE-UHFFFAOYSA-N,"InChI=1S/C17H24N4S2/c18-16-19-20-17(23-16)22-12-4-9-21-10-7-15(8-11-21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,19)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,3,4,10,6,23/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CNEHRQMKOUFFMX_on_P18507_WT,Low,ChEMBL30,CHEMBL569273,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,CNEHRQMKOUFFMX,CNEHRQMKOUFFMX-UHFFFAOYSA-N,"InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,24,8,11,26,18,14,15,7,6,13,4,20,21,22,23,12,27,10,25,9,5,3,19/E:(17,18,19)/rA:27CCOCOCCCNNCNCCCCCCOCFFFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s20;s20;s20;s14d18;s7s15;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-CNEHRQMKOUFFMX_on_P28472_WT,Low,ChEMBL30,CHEMBL569273,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,CNEHRQMKOUFFMX,CNEHRQMKOUFFMX-UHFFFAOYSA-N,"InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,24,8,11,26,18,14,15,7,6,13,4,20,21,22,23,12,27,10,25,9,5,3,19/E:(17,18,19)/rA:27CCOCOCCCNNCNCCCCCCOCFFFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s20;s20;s20;s14d18;s7s15;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-CNEHRQMKOUFFMX_on_P31644_WT,Low,ChEMBL30,CHEMBL569273,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,CNEHRQMKOUFFMX,CNEHRQMKOUFFMX-UHFFFAOYSA-N,"InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,24,8,11,26,18,14,15,7,6,13,4,20,21,22,23,12,27,10,25,9,5,3,19/E:(17,18,19)/rA:27CCOCOCCCNNCNCCCCCCOCFFFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s20;s20;s20;s14d18;s7s15;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-CNFAEBPKUNACJT_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951889;16118942,CCNc1c2c(ncn1)sc1c2ccn(-c2ccc(C)cc2)c1=O,CNFAEBPKUNACJT,CNFAEBPKUNACJT-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-3-19-16-14-13-8-9-22(12-6-4-11(2)5-7-12)18(23)15(13)24-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,20,2,18,21,17,22,13,14,8,19,16,12,5,11,4,6,23,3,9,7,15,24,10/E:(4,5)(6,7)/rA:24CCNCCCNCNSCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  7.820;  7.824,7.822,0.002,0.002,2.0,7.822,0.002
-CNFIVLKIXHARPC_on_P41594_WT,High,ChEMBL30,CHEMBL1630058,Cc1c(C(C)OC(=O)NC2CCCCC2)oc2ncnn12,CNFIVLKIXHARPC,CNFIVLKIXHARPC-UHFFFAOYSA-N,"InChI=1S/C14H20N4O3/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,19,2,4,10,3,17,7,18,20,9,21,8,6,16/E:(4,5)(6,7)/rA:21CCCCCOCONCCCCCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-CNFLHWVYIFARIM_on_P14867_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.300;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-CNFLHWVYIFARIM_on_P18507_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682253;CHEMBL681641;CHEMBL685339;CHEMBL683015;CHEMBL681090;CHEMBL681405;CHEMBL680293;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:12747794;PMID:11881985;PMID:11881985,2003;2003;2003;2002;2002;2003;2002;2002,0,0,0,1,0,,=,  8.150;  8.300;  8.700;  7.920;  8.150;  7.920;  8.300;  8.700,8.267999999999999,0.284,0.107,8.0,8.225,0.19
-CNFLHWVYIFARIM_on_P28472_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681090;CHEMBL683015;CHEMBL680293;CHEMBL685340;CHEMBL685339;CHEMBL681641;CHEMBL681405;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  8.150;  7.920;  8.300;  8.700;  8.700;  8.300;  7.920;  8.150,8.267999999999999,0.284,0.107,8.0,8.225,0.19
-CNFLHWVYIFARIM_on_P31644_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.700;  8.700,8.7,0.0,0.0,2.0,8.7,0.0
-CNFLHWVYIFARIM_on_P34903_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.150;  8.150,8.15,0.0,0.0,2.0,8.15,0.0
-CNFLHWVYIFARIM_on_P47869_WT,Low,ChEMBL30,CHEMBL275645,CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,CNFLHWVYIFARIM,CNFLHWVYIFARIM-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,17,8,4,21/E:(1,2)(3,4)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.920;  7.920,7.92,0.0,0.0,2.0,7.92,0.0
-CNGDFBATSBXHSU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087512;72546277,COC(=O)N1CC2COCC(C1)C2(O)C#Cc1cc(C)ccc1,CNGDFBATSBXHSU,CNGDFBATSBXHSU-UHFFFAOYSA-N,"InChI=1S/C18H21NO4/c1-13-4-3-5-14(8-13)6-7-18(21)15-9-19(17(20)22-2)10-16(18)12-23-11-15/h3-5,8,15-16,21H,9-12H2,1-2H3","""AuxInfo=1/0/N:20,1,22,21,23,16,15,18,6,12,8,10,19,17,7,11,3,13,5,4,14,2,9/E:(9,10)(11,12)(15,16)/rA:23COCONCCCOCCCCOCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s5s11;s7s11;s13;s13;t15;s16;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  5.470;  5.475,5.473,0.002,0.002,2.0,5.473,0.002
-CNLCCQIYHWYAQX_on_Q13255_WT,High,ChEMBL30,CHEMBL568317,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1,CNLCCQIYHWYAQX,CNLCCQIYHWYAQX-UHFFFAOYSA-N,"InChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-11(16)5-3-10)15-19-13(9-22-15)12-8-17-6-7-18-12/h2-9H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,18,19,16,21,5,8,15,14,3,12,9,17,20,13,2,4,22/E:(2,3)(4,5)/rA:22CNCOCCCCFCCCNCCCNCCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-CNNZLFXCUQLKOB_on_P41594_WT,High,ChEMBL30,CHEMBL227853,CON=C1C=C(C#Cc2nc(C)ccc2)CCC1,CNNZLFXCUQLKOB,CNNZLFXCUQLKOB-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3","""AuxInfo=1/0/N:12,1,14,17,13,16,15,18,7,8,5,11,6,9,4,10,3,2/rA:18CONCCCCCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;t7;s8;d9;s10;s11;d11;s13;s9d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL914081;CHEMBL914094;CHEMBL914095;CHEMBL914081;CHEMBL914082,PMID:17110115,2007.0,PMID:17110115,2007,1;1;1;0;0,0,0,0;0;0;1;1,0,,=,  8.150;  8.620;  8.640;  8.460;  8.770,8.527999999999999,0.213,0.107,5.0,8.62,0.15
-CNQSSZKESUOZMZ_on_P41594_WT,Low,ChEMBL30,CHEMBL1169414,NC1(C(=O)O)CC(C(=O)O)N(C(c2ccccc2)c2ccccc2)C1,CNQSSZKESUOZMZ,CNQSSZKESUOZMZ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)11-15(17(22)23)21(12-19)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:16,22,15,17,21,23,14,18,20,24,6,25,13,19,7,12,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-CNQSSZKESUOZMZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL1169414,NC1(C(=O)O)CC(C(=O)O)N(C(c2ccccc2)c2ccccc2)C1,CNQSSZKESUOZMZ,CNQSSZKESUOZMZ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)11-15(17(22)23)21(12-19)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:16,22,15,17,21,23,14,18,20,24,6,25,13,19,7,12,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-CNQSSZKESUOZMZ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1169414,NC1(C(=O)O)CC(C(=O)O)N(C(c2ccccc2)c2ccccc2)C1,CNQSSZKESUOZMZ,CNQSSZKESUOZMZ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)11-15(17(22)23)21(12-19)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:16,22,15,17,21,23,14,18,20,24,6,25,13,19,7,12,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-CNQSSZKESUOZMZ_on_Q14832_WT,Low,ChEMBL30,CHEMBL1169414,NC1(C(=O)O)CC(C(=O)O)N(C(c2ccccc2)c2ccccc2)C1,CNQSSZKESUOZMZ,CNQSSZKESUOZMZ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)11-15(17(22)23)21(12-19)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:16,22,15,17,21,23,14,18,20,24,6,25,13,19,7,12,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-CNVQMRWAJHEFGZ_on_O00591_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_O14764_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P14867_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P18505_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P18507_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P28472_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P31644_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P34903_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P47869_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P47870_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P48169_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_P78334_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVQMRWAJHEFGZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL292868,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2,CNVQMRWAJHEFGZ,CNVQMRWAJHEFGZ-UHFFFAOYSA-N,InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H,"""AuxInfo=1/0/N:12,13,11,22,23,6,17,3,5,7,18,16,2,15,4,8,19,1,9,10,20,21,14/E:(19,20)(21,22)/CRV:16.5,17.5/rA:23OCCCCCCN+OO-CCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;d19;s19;s18;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CNVYGMQSVFPNIL_on_P41594_WT,High,ChEMBL30,CHEMBL3633976,CC(=O)N1CCCn2nc(CN3CCOc4c3cccc4)cc12,CNVYGMQSVFPNIL,CNVYGMQSVFPNIL-UHFFFAOYSA-N,"InChI=1S/C17H20N4O2/c1-13(22)20-7-4-8-21-17(20)11-14(18-21)12-19-9-10-23-16-6-3-2-5-15(16)19/h2-3,5-6,11H,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,19,20,6,18,21,5,7,13,14,22,11,2,10,17,16,23,9,12,4,8,3,15/rA:23CCONCCCNNCCNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s14;s15;s12d16;s17;d18;s19;s16d20;s10;s4s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.140;  6.140,6.14,0.0,0.0,2.0,6.14,0.0
-CNYVJDHTGDPUBS_on_O00222_WT,Low,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3749862,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CNYVJDHTGDPUBS_on_P41594_WT,High,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.890;  6.900,6.895,0.005,0.005,2.0,6.895,0.005
-CNYVJDHTGDPUBS_on_Q13255_WT,Low,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3749859,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CNYVJDHTGDPUBS_on_Q14416_WT,Low,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3749860,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CNYVJDHTGDPUBS_on_Q14831_WT,Low,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3749861,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CNYVJDHTGDPUBS_on_Q14832_WT,High,ChEMBL30,CHEMBL3746457,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1,CNYVJDHTGDPUBS,CNYVJDHTGDPUBS-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,24,25,17,16,4,21,6,22,5,8,3,19,2,23,20,14,18,15,1,7/E:(2,3)(4,5)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-COBVPBYQSOSVBW_on_P31644_WT,High,ChEMBL30,CHEMBL3681442,CNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,COBVPBYQSOSVBW,COBVPBYQSOSVBW-UHFFFAOYSA-N,"InChI=1S/C18H13F4N3O3/c1-23-17(26)11-4-7-14(24-8-11)27-9-13-15(10-2-5-12(19)6-3-10)25-28-16(13)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)","""AuxInfo=1/1/N:1,21,26,6,22,25,7,28,10,20,5,23,11,8,19,12,3,13,24,14,15,16,2,27,18,4,9,17/E:(2,3)(5,6)(20,21,22)/rA:28CNCOCCCCOCCCCFFFONCCCCCFCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s13;s13;s13;s12;s17;s11d18;s19;d20;s21;d22;s23;s23;s20d25;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-CODBRTKMDJIHRW_on_P41594_WT,High,ChEMBL30,CHEMBL370752,O=S(=O)(Cc1ccccc1)N1CC=C(C#Cc2ncccc2)CC1,CODBRTKMDJIHRW,CODBRTKMDJIHRW-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2S/c22-24(23,16-18-6-2-1-3-7-18)21-14-11-17(12-15-21)9-10-19-8-4-5-13-20-19/h1-8,11,13H,12,14-16H2","""AuxInfo=1/0/N:8,7,9,21,20,6,10,22,15,16,13,23,19,12,24,4,14,5,17,18,11,1,3,2/E:(2,3)(6,7)(22,23)/CRV:24.6/rA:24OSOCCCCCCCNCCCCCCNCCCCCC/rB:d1;d2;s2;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-CODLITRXBIRDTG_on_O15399_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_O60391_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_Q05586_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_Q12879_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_Q13224_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODLITRXBIRDTG_on_Q14957_WT,Low,ChEMBL30,CHEMBL297881,Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,CODLITRXBIRDTG,CODLITRXBIRDTG-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCClNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-CODVTIMDGLQNFG_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46853659;CHEMBL1921948,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cccc(F)n1,CODVTIMDGLQNFG,CODVTIMDGLQNFG-UHFFFAOYSA-N,"InChI=1S/C18H12FN3O5S2/c19-17-7-3-4-14(21-17)18(23)20-12-8-10-13(11-9-12)22-28(24,25)15-5-1-2-6-16(15)29(22,26)27/h1-11H,(H,20,23)","""AuxInfo=1/1/N:15,16,25,24,14,17,26,5,22,6,21,4,7,23,13,12,27,2,28,3,29,8,1,19,20,10,11,18,9/E:(1,2)(5,6)(8,9)(10,11)(15,16)(24,25,26,27)(28,29)/CRV:28.6,29.6/rA:29OCNCCCCNSOOCCCCCCSOOCCCCCCCFN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s27;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408;CHEMBL1924926,PMID:21966889,2011.0,PubChemAID:631408;PMID:21966889,2012;2011,0,0;1,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-COGYAXFYJYPHMB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672435;23725974,CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2ccc(Cl)cc2)nc1,COGYAXFYJYPHMB,COGYAXFYJYPHMB-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,5,6,4,19,22,18,23,7,12,25,11,20,17,3,13,15,9,21,14,24,16,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCOCCCClCNCCCCClCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466;PubChemAID:570020,PMID:24900255,2011.0,PMID:24900255;PubChemAID:570020,2011,1;0,0,0,0,0;1,,=,  7.190;  7.194,7.192,0.002,0.002,2.0,7.192,0.002
-COIHYICCVMGEJO_on_P18507_WT,Low,ChEMBL30,CHEMBL212323,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F,COIHYICCVMGEJO,COIHYICCVMGEJO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(12-5-2-3-6-13(12)22)16-9-26-28-20(31(16)29-21)19-14(23)7-4-8-15(19)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,17,27,30,16,18,23,7,4,26,31,14,19,24,6,25,13,12,9,32,15,20,5,22,3,21,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCFCCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-COIHYICCVMGEJO_on_P28472_WT,Low,ChEMBL30,CHEMBL212323,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F,COIHYICCVMGEJO,COIHYICCVMGEJO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(12-5-2-3-6-13(12)22)16-9-26-28-20(31(16)29-21)19-14(23)7-4-8-15(19)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,17,27,30,16,18,23,7,4,26,31,14,19,24,6,25,13,12,9,32,15,20,5,22,3,21,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCFCCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-COIHYICCVMGEJO_on_P34903_WT,Low,ChEMBL30,CHEMBL212323,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F,COIHYICCVMGEJO,COIHYICCVMGEJO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(12-5-2-3-6-13(12)22)16-9-26-28-20(31(16)29-21)19-14(23)7-4-8-15(19)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,17,27,30,16,18,23,7,4,26,31,14,19,24,6,25,13,12,9,32,15,20,5,22,3,21,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCFCCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-COKSTUDOWROCJE_on_P14867_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-COKSTUDOWROCJE_on_P18507_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL681249;CHEMBL681483;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.410;  7.290;  6.350;  7.920,7.242000000000001,0.5670000000000001,0.327,4.0,7.35,0.315
-COKSTUDOWROCJE_on_P28472_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681483;CHEMBL682252;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.350;  7.920;  7.290;  7.410,7.242000000000001,0.5670000000000001,0.327,4.0,7.35,0.315
-COKSTUDOWROCJE_on_P31644_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-COKSTUDOWROCJE_on_P34903_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-COKSTUDOWROCJE_on_P47869_WT,Low,ChEMBL30,CHEMBL59197,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1,COKSTUDOWROCJE,COKSTUDOWROCJE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,24,11,13,23,25,21,6,9,20,3,7,19,8,17,12,15,18,2,22/E:(3,4)(5,6)(7,8)(10,11)/rA:27COCCCCCCCCCNCCNCCOCCCSCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s20d23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-COLFYBOAYSPFEQ_on_P14867_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.220,10.22,0.0,0.0,1.0,10.22,0.0
-COLFYBOAYSPFEQ_on_P18507_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.220; 10.100; 10.300;  9.920;  8.400,9.788,0.706,0.353,5.0,10.1,0.18
-COLFYBOAYSPFEQ_on_P28472_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.400;  9.920; 10.300; 10.100; 10.220,9.788,0.706,0.353,5.0,10.1,0.18
-COLFYBOAYSPFEQ_on_P31644_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-COLFYBOAYSPFEQ_on_P34903_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.300,10.3,0.0,0.0,1.0,10.3,0.0
-COLFYBOAYSPFEQ_on_P47869_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.100,10.1,0.0,0.0,1.0,10.1,0.0
-COLFYBOAYSPFEQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144697,Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1,COLFYBOAYSPFEQ,COLFYBOAYSPFEQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H","""AuxInfo=1/0/N:19,18,20,17,21,11,12,8,4,9,16,7,3,6,13,2,10,5,14,15,1/E:(2,3)(4,5)/rA:21OCCCNCCCCBrCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s3s7;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-COMUXMGBRSRGDG_on_P31644_WT,High,ChEMBL30,CHEMBL3681518,Cc1c(COc2ccc(C(=O)NCC(O)CO)cn2)c(-c2ccccc2)no1,COMUXMGBRSRGDG,COMUXMGBRSRGDG-UHFFFAOYSA-N,"InChI=1S/C20H21N3O5/c1-13-17(19(23-28-13)14-5-3-2-4-6-14)12-27-18-8-7-15(9-21-18)20(26)22-10-16(25)11-24/h2-9,16,24-25H,10-12H2,1H3,(H,22,26)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,18,13,16,4,2,21,9,14,3,6,20,10,19,12,27,17,15,11,5,28/E:(3,4)(5,6)/rA:28CCCCOCCCCCONCCOCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-COQPVKMATNFNLG_on_P41594_WT,High,ChEMBL30,CHEMBL428909,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,COQPVKMATNFNLG,COQPVKMATNFNLG-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,19,20,8,6,3,15,14,10,11,13,22,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-COQPVKMATNFNLG_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL428909;1208332,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,COQPVKMATNFNLG,COQPVKMATNFNLG-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,19,20,8,6,3,15,14,10,11,13,22,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227;PubChemAID:599762,PMID:17929793,2007.0,PMID:20346665;PubChemAID:599762,2010;2012,1;0,0,0,0,0;1,,=,  8.020;  8.022,8.021,0.001,0.001,2.0,8.021,0.001
-COQZUIGNEIVFMO_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950175,Cn1nc2cccnc2c1Nc1ccc(F)c(Cl)c1,COQZUIGNEIVFMO,COQZUIGNEIVFMO-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN4/c1-19-13(12-11(18-19)3-2-6-16-12)17-8-4-5-10(15)9(14)7-8/h2-7,17H,1H3","""AuxInfo=1/0/N:1,6,5,13,14,7,19,12,17,15,4,9,10,18,16,8,11,3,2/rA:19CNNCCCCNCCNCCCCFCClC/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;s2d9;s10;s11;d12;s13;d14;s15;s15;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-CORBPQMJMWUNPD_on_P14867_WT,Low,ChEMBL30,CHEMBL1814307,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1,CORBPQMJMWUNPD,CORBPQMJMWUNPD-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-CORBPQMJMWUNPD_on_P31644_WT,Low,ChEMBL30,CHEMBL1814307,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1,CORBPQMJMWUNPD,CORBPQMJMWUNPD-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1816887,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-CORBPQMJMWUNPD_on_P34903_WT,Low,ChEMBL30,CHEMBL1814307,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1,CORBPQMJMWUNPD,CORBPQMJMWUNPD-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1816886,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-CORBPQMJMWUNPD_on_P47869_WT,Low,ChEMBL30,CHEMBL1814307,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1,CORBPQMJMWUNPD,CORBPQMJMWUNPD-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1816623,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-CORBPQMJMWUNPD_on_P47870_WT,Low,ChEMBL30,CHEMBL1814307,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1,CORBPQMJMWUNPD,CORBPQMJMWUNPD-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618;CHEMBL1816623;CHEMBL1816886;CHEMBL1816887,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.040;  5.500;  5.080;  5.280,5.225,0.183,0.106,4.0,5.18,0.12
-COUOXVTYSHKWKG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936681,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(CF)nc2)c3)c(F)c1,COUOXVTYSHKWKG,COUOXVTYSHKWKG-UHFFFAOYSA-N,"InChI=1S/C26H23F2N3O2/c1-15(9-16-3-5-18(13-27)30-14-16)17-4-7-21-22(12-25(26(29)32)31-24(21)10-17)20-8-6-19(33-2)11-23(20)28/h3-8,10-12,14-15H,9,13H2,1-2H3,(H2,29,32)","""AuxInfo=1/1/N:20,1,23,17,24,4,16,5,21,30,33,8,26,29,19,22,18,25,3,6,15,7,31,14,9,10,27,32,11,28,13,12,2/rA:33COCCCCCCCCNONCCCCCCCCCCCCCFNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s26;s25;s22d28;s14d18;s6;s31;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.050;  8.000,8.025,0.025,0.025,2.0,8.025,0.025
-COVIJXPHVCANQM_on_P41594_WT,Low,ChEMBL30,CHEMBL1093987,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C3CC3)n4)c2=O)cc1,COVIJXPHVCANQM,COVIJXPHVCANQM-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-9-2-6-11(7-3-9)23-8-20-13-12-15(19)21-16(10-4-5-10)22-17(12)25-14(13)18(23)24/h2-3,6-8,10H,4-5H2,1H3,(H2,19,21,22)","""AuxInfo=1/1/N:1,3,25,19,20,4,24,7,2,18,5,13,9,10,14,17,12,22,15,8,16,21,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCNCCSCCCNNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;s18s19;s12d17;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-COVIJXPHVCANQM_on_Q13255_WT,High,ChEMBL30,CHEMBL1093987,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C3CC3)n4)c2=O)cc1,COVIJXPHVCANQM,COVIJXPHVCANQM-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-9-2-6-11(7-3-9)23-8-20-13-12-15(19)21-16(10-4-5-10)22-17(12)25-14(13)18(23)24/h2-3,6-8,10H,4-5H2,1H3,(H2,19,21,22)","""AuxInfo=1/1/N:1,3,25,19,20,4,24,7,2,18,5,13,9,10,14,17,12,22,15,8,16,21,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCNCCSCCCNNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;s18s19;s12d17;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-COWWXPQCHYUANA_on_P41594_WT,High,ChEMBL30,CHEMBL2346729,Cc1nc(NC(=O)c2c(C)n(-c3ccc(C(F)(F)F)cc3)c(C)n2)ccc1,COWWXPQCHYUANA,COWWXPQCHYUANA-UHFFFAOYSA-N,"InChI=1S/C19H17F3N4O/c1-11-5-4-6-16(23-11)25-18(27)17-12(2)26(13(3)24-17)15-9-7-14(8-10-15)19(20,21)22/h4-10H,1-3H3,(H,23,25,27)","""AuxInfo=1/1/N:1,10,23,26,27,25,14,20,13,21,2,9,22,15,12,4,8,6,16,17,18,19,3,24,5,11,7/E:(7,8)(9,10)(20,21,22)/rA:27CCNCNCOCCCNCCCCCFFFCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s16;s16;s16;s15;s12d20;s11;s22;s8d22;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-COXSMQYRAOPGTJ_on_Q14416_WT,High,ChEMBL30,CHEMBL1669385,CCCn1ccc2c(c(Cl)cc(NCc3cnccc3)c2)c1=O,COXSMQYRAOPGTJ,COXSMQYRAOPGTJ-UHFFFAOYSA-N,"InChI=1S/C18H18ClN3O/c1-2-7-22-8-5-14-9-15(10-16(19)17(14)18(22)23)21-12-13-4-3-6-20-11-13/h3-6,8-11,21H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,19,20,6,18,3,5,21,11,16,14,15,7,12,9,8,22,10,17,13,4,23/rA:23CCCNCCCCCClCCNCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s7d12;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-CPBJIOBSLMOXCA_on_P41594_WT,High,ChEMBL30,CHEMBL1290547,O=C(COCc1ccccc1)N1CCN(c2ccccc2Cl)CC1,CPBJIOBSLMOXCA,CPBJIOBSLMOXCA-UHFFFAOYSA-N,"InChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)21-10-12-22(13-11-21)19(23)15-24-14-16-6-2-1-3-7-16/h1-9H,10-15H2","""AuxInfo=1/0/N:9,8,10,19,18,7,11,20,17,14,23,13,24,5,3,6,21,16,2,22,15,12,1,4/E:(2,3)(6,7)(10,11)(12,13)/rA:24OCCOCCCCCCCNCCNCCCCCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-CPBVVKIMYHVWGA_on_P41594_WT,High,ChEMBL30,CHEMBL2431430,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)c1,CPBVVKIMYHVWGA,CPBVVKIMYHVWGA-UHFFFAOYSA-N,"InChI=1S/C27H25F2N5O/c1-19-16-21(7-10-23(19)29)24-17-34(27(31-24)20-5-8-22(28)9-6-20)18-26(35)33-14-12-32(13-15-33)25-4-2-3-11-30-25/h2-11,16-17H,12-15,18H2,1H3","""AuxInfo=1/0/N:1,20,21,19,28,33,6,29,32,5,22,16,24,15,25,35,9,11,2,27,7,30,3,8,18,12,26,31,4,23,34,17,14,10,13/E:(5,6)(8,9)(12,13)(14,15)/rA:35CCCFCCCCCNCCONCCNCCCCCNCCCCCCCFCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s30;s27d32;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-CPIJWDRKSSBKSO_on_P18507_WT,Low,ChEMBL30,CHEMBL4217850,N=C(N)NCc1cn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nn1,CPIJWDRKSSBKSO,CPIJWDRKSSBKSO-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-27(26-24-7)5-9-11(13(30)28(9)38(33,34)35)23-12(29)10(8-6-37-16(20)22-8)25-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,22)(H,23,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,7,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,29,12,38,16,37,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCCNCCCNCOCNOCCOOCCCCSCNNCONSOOONN/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.051,3.051,0.0,0.0,1.0,3.051,0.0
-CPIJWDRKSSBKSO_on_P47869_WT,Low,ChEMBL30,CHEMBL4217850,N=C(N)NCc1cn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nn1,CPIJWDRKSSBKSO,CPIJWDRKSSBKSO-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-27(26-24-7)5-9-11(13(30)28(9)38(33,34)35)23-12(29)10(8-6-37-16(20)22-8)25-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,22)(H,23,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,7,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,29,12,38,16,37,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCCNCCCNCOCNOCCOOCCCCSCNNCONSOOONN/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.051,3.051,0.0,0.0,1.0,3.051,0.0
-CPIJWDRKSSBKSO_on_P47870_WT,Low,ChEMBL30,CHEMBL4217850,N=C(N)NCc1cn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nn1,CPIJWDRKSSBKSO,CPIJWDRKSSBKSO-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-27(26-24-7)5-9-11(13(30)28(9)38(33,34)35)23-12(29)10(8-6-37-16(20)22-8)25-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,22)(H,23,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,7,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,29,12,38,16,37,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCCNCCCNCOCNOCCOOCCCCSCNNCONSOOONN/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.051,3.051,0.0,0.0,1.0,3.051,0.0
-CPJHHSICPSOAAB_on_O00222_WT,Low,ChEMBL30,CHEMBL4103332,NC(CCP(=O)(O)Cc1cccc(C(=O)O)c1)C(=O)O,CPJHHSICPSOAAB,CPJHHSICPSOAAB-UHFFFAOYSA-N,"InChI=1S/C12H16NO6P/c13-10(12(16)17)4-5-20(18,19)7-8-2-1-3-9(6-8)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)(H,16,17)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,14,18,1,15,16,19,20,6,7,5/E:(14,15)(16,17)(18,19)/rA:20NCCCPOOCCCCCCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.292,3.292,0.0,0.0,1.0,3.292,0.0
-CPJHHSICPSOAAB_on_Q14833_WT,Low,ChEMBL30,CHEMBL4103332,NC(CCP(=O)(O)Cc1cccc(C(=O)O)c1)C(=O)O,CPJHHSICPSOAAB,CPJHHSICPSOAAB-UHFFFAOYSA-N,"InChI=1S/C12H16NO6P/c13-10(12(16)17)4-5-20(18,19)7-8-2-1-3-9(6-8)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)(H,16,17)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,14,18,1,15,16,19,20,6,7,5/E:(14,15)(16,17)(18,19)/rA:20NCCCPOOCCCCCCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.674,3.674,0.0,0.0,1.0,3.674,0.0
-CPKZCQHJDFSOJT_on_Q14831_WT,High,ChEMBL30,CHEMBL4174742,CCc1nc2c(CC(c3ccc(C)cc3C)CC2=O)o1,CPKZCQHJDFSOJT,CPKZCQHJDFSOJT-UHFFFAOYSA-N,"InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3","""AuxInfo=1/0/N:1,13,16,2,11,10,14,17,7,12,15,8,9,18,6,3,5,4,19,20/rA:20CCCNCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s15;s8;s5s17;d18;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4369705,PMID:30881607,2019.0,PMID:30881607,2019,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-CPKZCQHJDFSOJT_on_Q14833_WT,Low,ChEMBL30,CHEMBL4174742,CCc1nc2c(CC(c3ccc(C)cc3C)CC2=O)o1,CPKZCQHJDFSOJT,CPKZCQHJDFSOJT-UHFFFAOYSA-N,"InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3","""AuxInfo=1/0/N:1,13,16,2,11,10,14,17,7,12,15,8,9,18,6,3,5,4,19,20/rA:20CCCNCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s15;s8;s5s17;d18;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4140923,PMID:29057060,2017.0,PMID:29057060,2017,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CPLOICUHBFMIFS_on_P41594_WT,High,ChEMBL30,CHEMBL3314811,O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Cl)ccc1,CPLOICUHBFMIFS,CPLOICUHBFMIFS-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5O2/c16-11-3-1-2-10(4-11)15(22)21-13-7-17-8-14(20-13)23-12-5-18-9-19-6-12/h1-9H,(H,20,21,22)","""AuxInfo=1/1/N:22,23,21,18,11,15,5,7,13,17,19,10,4,8,2,20,6,12,14,16,3,1,9/E:(5,6)(18,19)/rA:23OCNCCNCCOCCNCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  7.000;  6.960,6.98,0.02,0.02,2.0,6.98,0.02
-CPNPKRREQMIDHL_on_P14867_WT,Low,ChEMBL30,CHEMBL1829021,C=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1,CPNPKRREQMIDHL,CPNPKRREQMIDHL-UHFFFAOYSA-N,"InChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3","""AuxInfo=1/0/N:1,21,11,2,20,10,3,19,5,14,15,6,9,23,22,4,13,18,12,16,7,17,8/rA:23CCCCCCCOCCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s7;s12;d13;s14;d15;s16;s16;s18;s19;d20;s13d18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-CPNPKRREQMIDHL_on_P47870_WT,Low,ChEMBL30,CHEMBL1829021,C=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1,CPNPKRREQMIDHL,CPNPKRREQMIDHL-UHFFFAOYSA-N,"InChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3","""AuxInfo=1/0/N:1,21,11,2,20,10,3,19,5,14,15,6,9,23,22,4,13,18,12,16,7,17,8/rA:23CCCCCCCOCCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s7;s12;d13;s14;d15;s16;s16;s18;s19;d20;s13d18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-CPOSCCRHVADDBB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109618,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)F,CPOSCCRHVADDBB,CPOSCCRHVADDBB-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O3/c1-13-10-15(6-8-25-13)20-17-7-9-29-14(2)12-27(17)21(26-20)16-4-5-18(30-22(23)24)19(11-16)28-3/h4-6,8,10-11,14,22H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:14,21,1,24,25,10,17,11,18,15,4,22,13,20,9,5,16,26,3,8,6,28,29,30,12,7,23,2,19,27/E:(23,24)/rA:30COCCCCNCCCCNCCCCCCOCCCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-CPQYYVZLOMJFSK_on_P18505_WT,Low,ChEMBL30,CHEMBL4238315,O=C(c1ccc(Cl)cc1)C(F)(F)C(NCc1ccccc1)c1ccccc1,CPQYYVZLOMJFSK,CPQYYVZLOMJFSK-UHFFFAOYSA-N,"InChI=1S/C22H18ClF2NO/c23-19-13-11-18(12-14-19)21(27)22(24,25)20(17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2","""AuxInfo=1/0/N:19,25,18,20,24,26,17,21,23,27,4,9,5,8,15,16,22,3,6,13,2,10,7,11,12,14,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/rA:27OCCCCCClCCCFFCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s10;s10;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-CPQYYVZLOMJFSK_on_P47870_WT,Low,ChEMBL30,CHEMBL4238315,O=C(c1ccc(Cl)cc1)C(F)(F)C(NCc1ccccc1)c1ccccc1,CPQYYVZLOMJFSK,CPQYYVZLOMJFSK-UHFFFAOYSA-N,"InChI=1S/C22H18ClF2NO/c23-19-13-11-18(12-14-19)21(27)22(24,25)20(17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2","""AuxInfo=1/0/N:19,25,18,20,24,26,17,21,23,27,4,9,5,8,15,16,22,3,6,13,2,10,7,11,12,14,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/rA:27OCCCCCClCCCFFCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s10;s10;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-CPRAFSBECNYZNT_on_Q14416_WT,High,ChEMBL30,CHEMBL4062535,CC(C)Nc1c(F)cc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)cc1,CPRAFSBECNYZNT,CPRAFSBECNYZNT-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN4/c1-11(2)22-16-6-5-13(10-15(16)21)14-7-8-25-17(9-12-3-4-12)23-24-19(25)18(14)20/h5-8,10-12,22H,3-4,9H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,24,25,23,22,17,8,2,18,9,10,6,5,16,11,13,12,7,4,15,14,21/E:(1,2)(3,4)/rA:25CCCNCCFCCCCClCNNCCCCCNCCCC/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;d10;s11;s11;d13;s14;d15;s16;s17;s18;s18s19;s13s16;s21;s10d22;s9;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.690;  6.650;  7.210,7.183,0.425,0.301,3.0,7.21,0.48
-CPTTUNDKSIZMSM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53247349;CHEMBL2426610;CHEMBL2426610,O=C1c2c(CCN1c1ccncc1)nc(COc1ccccc1)s2,CPTTUNDKSIZMSM,CPTTUNDKSIZMSM-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2S/c22-18-17-15(8-11-21(18)13-6-9-19-10-7-13)20-16(24-17)12-23-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2","""AuxInfo=1/0/N:21,20,22,19,23,9,13,5,10,12,6,16,8,18,4,15,3,2,11,14,7,1,17,24/E:(2,3)(4,5)(6,7)(9,10)/rA:24OCCCCCNCCCNCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s4;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s3s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:770257;CHEMBL2426830;CHEMBL2426830,PMID:23947773,2013.0,PubChemAID:770257;PMID:23947773;PMID:23947773,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  5.570;  5.570;  5.570,5.57,0.0,0.0,3.0,5.57,0.0
-CPXOWRQRNQUDQT_on_Q14416_WT,High,ChEMBL30,CHEMBL4088239,CC(C)Nc1c(F)cc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1,CPXOWRQRNQUDQT,CPXOWRQRNQUDQT-UHFFFAOYSA-N,"InChI=1S/C20H20F4N4/c1-11(2)25-16-6-5-13(10-15(16)21)14-7-8-28-17(9-12-3-4-12)26-27-19(28)18(14)20(22,23)24/h5-8,10-12,25H,3-4,9H2,1-2H3","""AuxInfo=1/0/N:1,3,22,23,27,28,26,25,20,8,2,21,9,10,6,5,19,11,16,12,7,13,14,15,4,18,17,24/E:(1,2)(3,4)(22,23,24)/rA:28CCCNCCFCCCCCFFFCNNCCCCCNCCCC/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;d10;s11;s12;s12;s12;s11;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s10d25;s9;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  8.660;  7.030;  8.050,7.912999999999999,0.672,0.475,3.0,8.05,0.61
-CPYNENNNFDPGKD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL579225;16661405,Cc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1,CPYNENNNFDPGKD,CPYNENNNFDPGKD-UHFFFAOYSA-N,"InChI=1S/C17H15N3OS/c1-12-3-5-14(6-4-12)16(21)20(2)17-19-15(11-22-17)13-7-9-18-10-8-13/h3-11H,1-2H3","""AuxInfo=1/0/N:1,9,3,22,4,21,14,18,15,17,19,2,13,5,12,6,10,16,11,8,7,20/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCCCCCONCCNCCCCNCCCSCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s8;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s10s19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  7.080;  7.081,7.081,0.0,0.0,2.0,7.081,0.001
-CPZRJQKWUIYUKI_on_O00222_WT,High,ChEMBL30,CHEMBL4080400,NC(CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O,CPZRJQKWUIYUKI,CPZRJQKWUIYUKI-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-6(10(15)16)4-5-24(22,23)11(17)9-7(13(18)19)2-1-3-8(9)14(20)21/h1-3,6,11,17H,4-5,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:16,15,17,3,4,2,11,18,10,22,8,1,12,19,23,24,9,13,14,20,21,6,7,5/E:(2,3)(7,8)(13,14)(15,16)(18,19,20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCN+OO-CCCCN+OO-COO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s12;s11;d15;s16;s10d17;s18;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-CPZRJQKWUIYUKI_on_Q14833_WT,High,ChEMBL30,CHEMBL4080400,NC(CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O,CPZRJQKWUIYUKI,CPZRJQKWUIYUKI-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-6(10(15)16)4-5-24(22,23)11(17)9-7(13(18)19)2-1-3-8(9)14(20)21/h1-3,6,11,17H,4-5,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:16,15,17,3,4,2,11,18,10,22,8,1,12,19,23,24,9,13,14,20,21,6,7,5/E:(2,3)(7,8)(13,14)(15,16)(18,19,20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCN+OO-CCCCN+OO-COO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s12;s11;d15;s16;s10d17;s18;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-CQAQIYJSTCGVQO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71579831;CHEMBL2349535,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(Cl)cc3)c2C)ccc1,CQAQIYJSTCGVQO,CQAQIYJSTCGVQO-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,21,11,23,24,22,14,19,15,18,2,20,13,16,4,8,12,6,17,3,5,9,10,7/E:(7,8)(9,10)/rA:24CCNCNCOCNNCCCCCCClCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s8d12;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  8.420;  8.420,8.42,0.0,0.0,2.0,8.42,0.0
-CQFDLBOEYHMIAO_on_O15399_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_O60391_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_Q05586_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_Q12879_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_Q13224_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQFDLBOEYHMIAO_on_Q14957_WT,Low,ChEMBL30,CHEMBL69429,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1,CQFDLBOEYHMIAO,CQFDLBOEYHMIAO-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCClCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CQKMWVDCJKSOEX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112158,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1,CQKMWVDCJKSOEX,CQKMWVDCJKSOEX-UHFFFAOYSA-N,"InChI=1S/C21H21Cl2N3O/c1-12-8-16(9-13(2)24-12)20-19-6-7-27-14(3)11-26(19)21(25-20)15-4-5-17(22)18(23)10-15/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,26,11,16,17,7,8,3,24,22,12,2,25,10,15,4,18,20,6,5,14,19,21,27,23,13,9/E:(1,2)(8,9)(12,13)/rA:27CCCCCCCCOCCCNCCCCCClCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-CQLJUEWREOSTCY_on_Q05586_WT,Low,ChEMBL30,CHEMBL3753409,OC1CN(CCCCc2ccccc2)CCc2c1cccc2,CQLJUEWREOSTCY,CQLJUEWREOSTCY-UHFFFAOYSA-N,"InChI=1S/C20H25NO/c22-20-16-21(15-13-18-11-4-5-12-19(18)20)14-7-6-10-17-8-2-1-3-9-17/h1-5,8-9,11-12,20,22H,6-7,10,13-16H2","""AuxInfo=1/0/N:12,11,13,21,20,7,6,10,14,8,22,19,16,5,15,3,9,17,18,2,4,1/E:(2,3)(8,9)/rA:22OCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-CQLJUEWREOSTCY_on_Q13224_WT,Low,ChEMBL30,CHEMBL3753409,OC1CN(CCCCc2ccccc2)CCc2c1cccc2,CQLJUEWREOSTCY,CQLJUEWREOSTCY-UHFFFAOYSA-N,"InChI=1S/C20H25NO/c22-20-16-21(15-13-18-11-4-5-12-19(18)20)14-7-6-10-17-8-2-1-3-9-17/h1-5,8-9,11-12,20,22H,6-7,10,13-16H2","""AuxInfo=1/0/N:12,11,13,21,20,7,6,10,14,8,22,19,16,5,15,3,9,17,18,2,4,1/E:(2,3)(8,9)/rA:22OCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-CQMLETFIENAKAA_on_P14867_WT,High,ChEMBL30,CHEMBL3652872,CC1=NN=C(c2cc3c(cccc3C(F)(F)F)s2)c2c(cc3nc(O)oc3c2)C1,CQMLETFIENAKAA,CQMLETFIENAKAA-UHFFFAOYSA-N,"InChI=1S/C20H12F3N3O2S/c1-9-5-10-6-14-15(28-19(27)24-14)7-11(10)18(26-25-9)17-8-12-13(20(21,22)23)3-2-4-16(12)29-17/h2-4,6-8H,5H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,11,12,10,29,21,28,7,2,20,19,8,13,22,27,9,6,5,24,14,15,16,17,23,3,4,25,26,18/E:(21,22,23)/rA:29CCNNCCCCCCCCCCFFFSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;s14;s14;s14;s6s9;s5;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4132041,PMID:28759875,2017.0,PMID:28759875,2017,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-CQMLETFIENAKAA_on_P31644_WT,High,ChEMBL30,CHEMBL3652872,CC1=NN=C(c2cc3c(cccc3C(F)(F)F)s2)c2c(cc3nc(O)oc3c2)C1,CQMLETFIENAKAA,CQMLETFIENAKAA-UHFFFAOYSA-N,"InChI=1S/C20H12F3N3O2S/c1-9-5-10-6-14-15(28-19(27)24-14)7-11(10)18(26-25-9)17-8-12-13(20(21,22)23)3-2-4-16(12)29-17/h2-4,6-8H,5H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,11,12,10,29,21,28,7,2,20,19,8,13,22,27,9,6,5,24,14,15,16,17,23,3,4,25,26,18/E:(21,22,23)/rA:29CCNNCCCCCCCCCCFFFSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;s14;s14;s14;s6s9;s5;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4132040;CHEMBL3705380,PATENT:US8778932B2,2014.0,PMID:28759875;PATENT:US8778932B2,2017;2014,1,0,0,0,0,,=,  6.700;  6.300,6.5,0.2,0.2,2.0,6.5,0.2
-CQOQGFPPQJNODN_on_O00222_WT,High,ExCAPE-DB;ChEMBL30,44389027;CHEMBL180822,NC(C(=O)O)C1C(CO)C1C(=O)O,CQOQGFPPQJNODN,CQOQGFPPQJNODN-UHFFFAOYSA-N,"InChI=1S/C7H11NO5/c8-5(7(12)13)3-2(1-9)4(3)6(10)11/h2-5,9H,1,8H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,7,6,10,2,11,3,1,9,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCOCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s6s7;s10;d11;s11;/rC:;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:238140;CHEMBL828854,PMID:15603952,2005.0,PubChemAID:238140;PMID:15603952,2010;2005,0,0,0;1,0,1;0,,=,  8.201;  8.200,8.2,0.001,0.001,2.0,8.2,0.001
-CQQUHBDYEUOOMX_on_P41594_WT,High,ChEMBL30,CHEMBL3702467,COCc1cn(C2=NCC(=O)N3CCc4c(cc(F)cc4C4CC4)C3=C2)cn1,CQQUHBDYEUOOMX,CQQUHBDYEUOOMX-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-15-10-25(12-24-15)20-8-19-18-7-14(22)6-17(13-2-3-13)16(18)4-5-26(19)21(27)9-23-20/h6-8,10,12-13H,2-5,9,11H2,1H3","""AuxInfo=1/0/N:1,23,24,14,13,20,17,26,9,5,3,27,22,18,4,15,21,16,25,7,10,19,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCFCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-CQQUHBDYEUOOMX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702467,COCc1cn(C2=NCC(=O)N3CCc4c(cc(F)cc4C4CC4)C3=C2)cn1,CQQUHBDYEUOOMX,CQQUHBDYEUOOMX-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-15-10-25(12-24-15)20-8-19-18-7-14(22)6-17(13-2-3-13)16(18)4-5-26(19)21(27)9-23-20/h6-8,10,12-13H,2-5,9,11H2,1H3","""AuxInfo=1/0/N:1,23,24,14,13,20,17,26,9,5,3,27,22,18,4,15,21,16,25,7,10,19,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCFCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-CQRQJNJMCFOUMF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3901833,Oc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,CQRQJNJMCFOUMF,CQRQJNJMCFOUMF-UHFFFAOYSA-N,"InChI=1S/C12H9ClN4O/c13-8-6-7(3-4-10(8)18)15-12-11-9(16-17-12)2-1-5-14-11/h1-6,18H,(H2,15,16,17)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,17,13,2,8,7,18,9,6,14,15,1/rA:18OCCCCNCCNCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-CQTZXNPIJZSXKK_on_Q14416_WT,High,ChEMBL30,CHEMBL1774235,CC1CN(Cc2nc3c(cccn3)n2C)CCC1c1c(F)cc(OC(F)(F)F)cc1,CQTZXNPIJZSXKK,CQTZXNPIJZSXKK-UHFFFAOYSA-N,"InChI=1S/C21H22F4N4O/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)30-21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,15,11,10,29,30,17,12,16,22,3,5,2,23,18,19,20,9,6,8,25,21,26,27,28,13,7,14,4,24/E:(23,24,25)/rA:30CCCNCCNCCCCCNNCCCCCCFCCOCFFFCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s14;s4;s16;s2s17;s18;d19;s20;s20;d22;s23;s24;s25;s25;s25;s23;s19d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1776061,PMID:21366332,2011.0,PMID:21366332,2011,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-CQWJMZNRRBUBPV_on_P41594_WT,High,ChEMBL30,CHEMBL2153788,CC(=O)c1c2cc[nH]c2c(C(=O)Nc2cccc(C)n2)nc1C,CQWJMZNRRBUBPV,CQWJMZNRRBUBPV-UHFFFAOYSA-N,"InChI=1S/C17H16N4O2/c1-9-5-4-6-13(19-9)21-17(23)16-15-12(7-8-18-15)14(11(3)22)10(2)20-16/h4-8,18H,1-3H3,(H,19,21,23)","""AuxInfo=1/1/N:19,23,1,16,17,15,6,7,18,22,2,5,14,4,9,10,11,8,20,21,13,3,12/rA:23CCOCCCCNCCCONCCCCCCNNCC/rB:s1;d2;s2;d4;s5;d6;s7;s5s8;d9;s10;d11;s11;s13;d14;s15;d16;s17;s18;s14d18;s10;s4d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-CQYGFRSFMOHMMG_on_Q14833_WT,Low,ChEMBL30,CHEMBL3926543,O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccccn1,CQYGFRSFMOHMMG,CQYGFRSFMOHMMG-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4OS2/c16-11-6-2-1-5-10(11)9-22-15-20-19-14(23-15)18-13(21)12-7-3-4-8-17-12/h1-8H,9H2,(H,18,19,21)","""AuxInfo=1/1/N:12,13,20,21,11,14,19,22,9,10,15,18,2,4,7,16,23,3,5,6,1,8,17/rA:23OCNCNNCSCCCCCCCClSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s15;s4s7;s2;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CQZPSNRJVCQSPU_on_P41594_WT,High,ChEMBL30,CHEMBL4246881,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1,CQZPSNRJVCQSPU,CQZPSNRJVCQSPU-UHFFFAOYSA-N,"InChI=1S/C49H65N9O5S/c1-39-52-42(38-64-39)20-18-40-30-44(33-50-32-40)62-37-49(59)51-22-12-9-14-24-55(2)23-13-7-5-6-8-15-25-58-35-43(53-54-58)36-63-47-21-19-41(31-48(47)61-4)34-56-26-28-57(29-27-56)45-16-10-11-17-46(45)60-3/h10-11,16-17,19,21,30-33,35,38H,5-9,12-15,22-29,34,36-37H2,1-4H3,(H,51,59)","""AuxInfo=1/1/N:58,38,14,1,33,32,34,31,41,17,16,42,35,40,30,18,15,52,21,53,22,43,36,39,29,8,20,9,19,50,4,60,62,6,27,25,47,55,57,51,5,54,26,49,11,12,23,3,45,61,44,59,64,63,37,7,10,28,46,13,2,48,24,56/E:(26,27)(28,29)/rA:64COCCCCNCCNCCOCCCCCCCCCCOCCCNCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s37;s39;s40;s41;s42;s43;s44;d45;s45;s47;s48;d49;s50;s51;t52;s53;d54;s55;s56;s57;s54d57;d51;s60;s49d61;s28;s26d63;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236719;CHEMBL4236720;CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,0;0;1,0,0,1;1;0,0,,=,  6.000;  5.890;  6.960,6.2829999999999995,0.48100000000000004,0.34,3.0,6.0,0.11
-CRBJBYGJVIBWIY_on_P14867_WT,Low,ChEMBL30,CHEMBL30018,CC(C)c1ccccc1O,CRBJBYGJVIBWIY,CRBJBYGJVIBWIY-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3","""AuxInfo=1/0/N:1,3,6,7,5,8,2,4,9,10/E:(1,2)/rA:10CCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.800;  4.400,4.1,0.3,0.3,2.0,4.1,0.3
-CRBJBYGJVIBWIY_on_P18507_WT,Low,ChEMBL30,CHEMBL30018,CC(C)c1ccccc1O,CRBJBYGJVIBWIY,CRBJBYGJVIBWIY-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3","""AuxInfo=1/0/N:1,3,6,7,5,8,2,4,9,10/E:(1,2)/rA:10CCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.800;  4.400,4.1,0.3,0.3,2.0,4.1,0.3
-CRBJBYGJVIBWIY_on_P47870_WT,Low,ChEMBL30,CHEMBL30018,CC(C)c1ccccc1O,CRBJBYGJVIBWIY,CRBJBYGJVIBWIY-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3","""AuxInfo=1/0/N:1,3,6,7,5,8,2,4,9,10/E:(1,2)/rA:10CCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.800;  4.400,4.1,0.3,0.3,2.0,4.1,0.3
-CRDPVXXRPYMQIL_on_O00591_WT,Low,ChEMBL30,CHEMBL91151,CC(C)(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,CRDPVXXRPYMQIL,CRDPVXXRPYMQIL-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-18(2,3)16-12-21-17(22-13-16)15-8-6-14(7-9-15)10-11-19(4,5)20/h6-9,16-17,20H,12-13H2,1-5H3","""AuxInfo=1/0/N:16,17,18,1,3,8,22,9,21,6,5,13,19,7,10,14,11,15,2,4,12,20/E:(1,2,3)(4,5)(6,7)(8,9)(12,13)(21,22)/rA:22CCCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
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-CRDPVXXRPYMQIL_on_Q16445_WT,Low,ChEMBL30,CHEMBL91151,CC(C)(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,CRDPVXXRPYMQIL,CRDPVXXRPYMQIL-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-18(2,3)16-12-21-17(22-13-16)15-8-6-14(7-9-15)10-11-19(4,5)20/h6-9,16-17,20H,12-13H2,1-5H3","""AuxInfo=1/0/N:16,17,18,1,3,8,22,9,21,6,5,13,19,7,10,14,11,15,2,4,12,20/E:(1,2,3)(4,5)(6,7)(8,9)(12,13)(21,22)/rA:22CCCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CRDPVXXRPYMQIL_on_Q99928_WT,Low,ChEMBL30,CHEMBL91151,CC(C)(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,CRDPVXXRPYMQIL,CRDPVXXRPYMQIL-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-18(2,3)16-12-21-17(22-13-16)15-8-6-14(7-9-15)10-11-19(4,5)20/h6-9,16-17,20H,12-13H2,1-5H3","""AuxInfo=1/0/N:16,17,18,1,3,8,22,9,21,6,5,13,19,7,10,14,11,15,2,4,12,20/E:(1,2,3)(4,5)(6,7)(8,9)(12,13)(21,22)/rA:22CCCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CRDYDPIUQVIJQS_on_Q14833_WT,High,ChEMBL30,CHEMBL4248576,Cn1nc(C(=O)N2CCC(F)(F)CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,CRDYDPIUQVIJQS,CRDYDPIUQVIJQS-UHFFFAOYSA-N,"InChI=1S/C20H19F2N7O/c1-28-15-11-12(24-18-17-14(25-26-18)3-2-8-23-17)4-5-13(15)16(27-28)19(30)29-9-6-20(21,22)7-10-29/h2-5,8,11H,6-7,9-10H2,1H3,(H2,24,25,26)","""AuxInfo=1/1/N:1,24,25,29,30,9,13,23,8,14,17,18,15,26,16,4,21,20,5,10,11,12,22,19,27,28,3,2,7,6/E:(6,7)(9,10)(21,22)/rA:30CNNCCONCCCFFCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s10;s10;s7s13;s4;s2d15;s16;d17;s18;s19;d20;s21;d22;s23;d24;s21s25;d26;s20s27;s18;s15d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CRGWLDXEAXCBBI_on_P14867_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CRGWLDXEAXCBBI_on_P18507_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-CRGWLDXEAXCBBI_on_P28472_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-CRGWLDXEAXCBBI_on_P31644_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-CRGWLDXEAXCBBI_on_P34903_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-CRGWLDXEAXCBBI_on_P47869_WT,Low,ChEMBL30,CHEMBL54507,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O,CRGWLDXEAXCBBI,CRGWLDXEAXCBBI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(17-6-4-5-11-21-17)15(12-16(19(22)23)20(24)26-3)13-7-9-14(25-2)10-8-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,20,22,9,15,10,14,19,6,8,11,7,5,17,16,25,3,18,23,26,4,12,2/E:(7,8)(9,10)/rA:26COCOCCCCCCCOCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-CRJRLSUPZUHATG_on_P41594_WT,High,ChEMBL30,CHEMBL3702406,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)c1,CRJRLSUPZUHATG,CRJRLSUPZUHATG-UHFFFAOYSA-N,"InChI=1S/C24H24N2O3/c1-28-17-6-2-5-16(13-17)21-14-22-19-7-3-8-20(23-9-4-12-29-23)18(19)10-11-26(22)24(27)15-25-21/h2-3,5-8,13-14,23H,4,9-12,15H2,1H3","""AuxInfo=1/0/N:1,5,19,24,6,4,18,20,23,15,14,25,29,28,10,7,3,16,17,21,8,27,22,11,9,13,12,2,26/rA:29COCCCCCCNCCONCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s22s25;s13s17;s8w?27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-CRJRLSUPZUHATG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702406,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)c1,CRJRLSUPZUHATG,CRJRLSUPZUHATG-UHFFFAOYSA-N,"InChI=1S/C24H24N2O3/c1-28-17-6-2-5-16(13-17)21-14-22-19-7-3-8-20(23-9-4-12-29-23)18(19)10-11-26(22)24(27)15-25-21/h2-3,5-8,13-14,23H,4,9-12,15H2,1H3","""AuxInfo=1/0/N:1,5,19,24,6,4,18,20,23,15,14,25,29,28,10,7,3,16,17,21,8,27,22,11,9,13,12,2,26/rA:29COCCCCCCNCCONCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s22s25;s13s17;s8w?27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-CRKIVDXXISLHLO_on_P41594_WT,High,ChEMBL30,CHEMBL270167,Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2ccccc2)n1,CRKIVDXXISLHLO,CRKIVDXXISLHLO-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-17-15-26-16-19(22(27)25-12-10-24(2)11-13-25)14-21(26)20(23-17)9-8-18-6-4-3-5-7-18/h3-7,14-16H,10-13H2,1-2H3","""AuxInfo=1/0/N:1,13,24,23,25,22,26,20,19,11,14,10,15,16,3,5,2,21,6,18,17,7,27,12,9,4,8/E:(4,5)(6,7)(10,11)(12,13)/rA:27CCCNCCCONCCNCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s14;s6;s4d16;s17;s18;t19;s20;d21;s22;d23;s24;s21d25;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-CRMBUIXNAOQITN_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684119,O=C1NCCc2c1ccc(C#Cc1ccc(F)cc1F)c2,CRMBUIXNAOQITN,CRMBUIXNAOQITN-UHFFFAOYSA-N,"InChI=1S/C17H11F2NO/c18-14-5-4-12(16(19)10-14)3-1-11-2-6-15-13(9-11)7-8-20-17(15)21/h2,4-6,9-10H,7-8H2,(H,20,21)","""AuxInfo=1/1/N:11,9,12,14,15,8,5,4,21,18,10,13,6,16,7,19,2,17,20,3,1/rA:21OCNCCCCCCCCCCCCCFCCFC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s19;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-CRMGEGUBKNVCIX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215282;11207899,Cc1nc(C#CCOc2cccc([N+](=O)[O-])c2)ccc1,CRMGEGUBKNVCIX,CRMGEGUBKNVCIX-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-12-5-2-6-13(16-12)7-4-10-20-15-9-3-8-14(11-15)17(18)19/h2-3,5-6,8-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,19,11,6,20,18,5,12,10,7,17,2,4,13,9,3,14,15,16,8/E:(18,19)/CRV:17.5/rA:20CCNCCCCOCCCCCN+OO-CCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  6.380;  6.381,6.38,0.001,0.001,2.0,6.38,0.001
-CRSBFFMGIUDUCN_on_Q14833_WT,High,ChEMBL30,CHEMBL3809765,O=C(Nc1cn(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1)c1ccccn1,CRSBFFMGIUDUCN,CRSBFFMGIUDUCN-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-6-4-13(5-7-14)12-28(26,27)24-10-8-15(11-24)23-17(25)16-3-1-2-9-22-16/h1-11H,12H2,(H,23,25)","""AuxInfo=1/1/N:25,26,24,12,20,13,19,22,27,21,5,10,11,14,4,23,2,15,16,17,18,28,3,6,1,8,9,7/E:(4,5)(6,7)(19,20,21)(26,27)/CRV:28.6/rA:28OCNCCNSOOCCCCCCFFFCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s15;s15;s15;s14;s11d19;s6;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.730;  6.720,6.725,0.005,0.005,2.0,6.725,0.005
-CRSGVGNUNMJTOK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3799197,Nc1cccnc1C(=O)Nc1cc(Cl)c(N2CC3(CCCC3)CC2=O)cc1,CRSGVGNUNMJTOK,CRSGVGNUNMJTOK-UHFFFAOYSA-N,"InChI=1S/C20H21ClN4O2/c21-14-10-13(24-19(27)18-15(22)4-3-9-23-18)5-6-16(14)25-12-20(11-17(25)26)7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12,22H2,(H,24,27)","""AuxInfo=1/1/N:20,21,4,3,27,26,19,22,5,12,23,17,11,13,2,15,24,7,8,18,14,1,6,10,16,25,9/E:(1,2)(7,8)/rA:27NCCCCNCCONCCCClCNCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s16;s17;s18;s19;s20;s18s21;s18;s16s23;d24;s15;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,>;<,  5.000;  8.000,6.5,1.5,1.5,2.0,6.5,1.5
-CRUGMDQKVDVGOQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3938796,Fc1cc(F)c(C2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,CRUGMDQKVDVGOQ,CRUGMDQKVDVGOQ-UHFFFAOYSA-N,"InChI=1S/C23H23F5N4/c24-17-3-4-18(19(25)12-17)15-5-8-31(9-6-15)13-16-7-10-32-20(11-14-1-2-14)29-30-22(32)21(16)23(26,27)28/h3-4,7,10,12,14-15H,1-2,5-6,8-9,11,13H2","""AuxInfo=1/0/N:24,25,32,31,8,30,28,9,29,27,22,3,11,23,7,12,2,6,4,21,13,18,14,1,5,15,16,17,20,19,10,26/E:(1,2)(5,6)(8,9)(26,27,28)/rA:32FCCCFCCCCNCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;d12;s13;s14;s14;s14;s13;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s12d27;s10;s7s29;s6;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-CRWVFWHKXFJMOJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3799284,CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)nccn3)cc2)nc1,CRWVFWHKXFJMOJ,CRWVFWHKXFJMOJ-UHFFFAOYSA-N,"InChI=1S/C17H15ClN6O2/c1-2-10-8-22-17(23-9-10)26-13-4-3-11(7-12(13)18)24-16(25)14-15(19)21-6-5-20-14/h3-9H,2H2,1H3,(H2,19,21)(H,24,25)","""AuxInfo=1/1/N:1,2,23,24,21,20,11,4,26,3,12,9,8,16,17,14,6,10,18,22,19,5,25,13,15,7/E:(8,9)(22,23)/rA:26CCCCNCOCCClCCNCOCCNNCCNCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;s17;d19;s20;s16d21;s12;s8d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-CRYKKCVVHRIZJU_on_Q13224_WT,High,ChEMBL30,CHEMBL3966599,Cn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1,CRYKKCVVHRIZJU,CRYKKCVVHRIZJU-UHFFFAOYSA-N,"InChI=1S/C15H13ClF2N4O/c1-21-5-4-12(20-21)9-22-8-11(7-19-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3","""AuxInfo=1/0/N:1,11,12,4,3,20,21,8,6,10,9,5,13,15,17,14,18,19,22,23,2,7,16/E:(17,18)/rA:23CNCCCCNCCCCCCClCOCFFCCNN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s13;s15;s16;s17;s17;s10d15;s9;s7d21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  5.610,5.61,0.0,0.0,1.0,5.61,0.0
-CRYMDEDOGKKRIT_on_P14867_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-CRYMDEDOGKKRIT_on_P18507_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058332;CHEMBL3058330;CHEMBL3058331;CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.470;  7.890;  7.470;  8.370,7.8,0.371,0.214,4.0,7.68,0.21
-CRYMDEDOGKKRIT_on_P28472_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058332;CHEMBL3058330;CHEMBL3058331;CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.470;  7.890;  7.470;  8.370,7.8,0.371,0.214,4.0,7.68,0.21
-CRYMDEDOGKKRIT_on_P31644_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-CRYMDEDOGKKRIT_on_P34903_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-CRYMDEDOGKKRIT_on_P47869_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-CRYMDEDOGKKRIT_on_P48169_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-CRYMDEDOGKKRIT_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261632,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,CRYMDEDOGKKRIT,CRYMDEDOGKKRIT-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O3/c18-17(19,20)8-26-16(25)13-14-12-6-3-7-22(12)15(24)10-4-1-2-5-11(10)23(14)9-21-13/h1-2,4-5,9,12H,3,6-8H2","""AuxInfo=1/0/N:22,21,13,23,20,12,14,4,25,18,19,11,9,10,16,2,5,6,7,8,26,15,24,17,1,3/E:(18,19,20)/rA:26OCOCCFFFCCCCCCNCOCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s19;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-CSFLLQXAPCZCPW_on_P41594_WT,High,ChEMBL30,CHEMBL2151476,Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1,CSFLLQXAPCZCPW,CSFLLQXAPCZCPW-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O3S/c1-12-5-7-16(8-6-12)26(23,24)22-10-14(11-22)18-20-17(21-25-18)13-3-2-4-15(19)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,3,26,4,25,21,10,24,2,15,11,19,5,14,12,20,13,22,9,7,8,23,6/E:(5,6)(7,8)(10,11)(23,24)/CRV:26.6/rA:26CCCCCSOONCCCNCCCCCCClCNOCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-CSKHLMXZMHQWGD_on_O15399_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_O60391_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_Q05586_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_Q12879_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_Q13224_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSKHLMXZMHQWGD_on_Q14957_WT,Low,ChEMBL30,CHEMBL42329,Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1,CSKHLMXZMHQWGD,CSKHLMXZMHQWGD-UHFFFAOYSA-N,"InChI=1S/C8H3ClF2N2O2/c9-4-2(10)1-3-6(5(4)11)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,10,12,8,15,5,1,4/rA:15OCCONCCFCClCFCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-CSOHLFCWJIGHSY_on_Q14573_WT,Medium,ChEMBL30,CHEMBL281132,CC1(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(O)C(O)C1OP(=O)(O)O,CSOHLFCWJIGHSY,CSOHLFCWJIGHSY-UHFFFAOYSA-N,"InChI=1S/C7H17O15P3/c1-7(22-25(17,18)19)5(20-23(11,12)13)3(9)2(8)4(10)6(7)21-24(14,15)16/h2-6,8-10H,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:1,16,14,18,8,20,2,17,15,19,11,12,13,23,24,25,5,6,7,9,21,3,10,22,4/E:(3,4)(5,6)(9,10)(11,12,13,14,15,16)(17,18,19)(20,21)(23,24)/gE:(1,2)/rA:25CCOPOOOCOPOOOCOCOCOCOPOOO/rB:s1;s2;s3;d4;s4;s4;s2;s8;s9;d10;s10;s10;s8;s14;s14;s16;s16;s18;s2s18;s20;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697185,PMID:10197969,1999.0,PMID:10197969,1999,1,0,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-CSOLVKRGZBHTRO_on_P41594_WT,High,ChEMBL30,CHEMBL3314809,O=C(Nc1cncc(Oc2cccnc2)n1)c1cc(Cl)ccc1,CSOLVKRGZBHTRO,CSOLVKRGZBHTRO-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-9-19-10-15(20-14)23-13-5-2-6-18-8-13/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,13,18,15,5,7,17,19,10,4,8,2,20,14,6,16,3,1,9/rA:23OCNCCNCCOCCCCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-CSVJXDYKTNRNLA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962349,CC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1,CSVJXDYKTNRNLA,CSVJXDYKTNRNLA-UHFFFAOYSA-N,"InChI=1S/C17H15N3O2/c1-17(2)12-20(16(21)22-17)15-8-7-14(11-19-15)6-5-13-4-3-9-18-10-13/h3-4,7-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,3,14,13,11,10,8,7,15,17,18,4,12,9,6,20,2,16,19,5,21,22/E:(1,2)/rA:22CCCCNCCCCCCCCCCNCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-CSWUCKIQVMWNNI_on_P41594_WT,High,ChEMBL30,CHEMBL3736277,CC(C)(C)n1nnc2c1CCC(c1nc(Cc3ccc(F)cc3)no1)C2,CSWUCKIQVMWNNI,CSWUCKIQVMWNNI-UHFFFAOYSA-N,"InChI=1S/C19H22FN5O/c1-19(2,3)25-16-9-6-13(11-15(16)22-24-25)18-21-17(23-26-18)10-12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,23,11,19,22,10,16,26,17,12,20,8,9,15,13,2,21,14,7,24,6,5,25/E:(1,2,3)(4,5)(7,8)/rA:26CCCCNNNCCCCCCNCCCCCCFCCNOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;d15;s13s24;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-CSZHNKILGMSWKB_on_P41594_WT,Low,ChEMBL30,CHEMBL1784050,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,CSZHNKILGMSWKB,CSZHNKILGMSWKB-UHFFFAOYSA-N,"InChI=1S/C19H13FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-14(26-2)12(20)9-11/h1,4-6,8-10H,7H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,22,2,18,19,10,3,9,25,15,17,23,5,20,6,13,12,7,26,24,4,8,14,16,27,21,11/rA:27CCCNCCCNCCSCCNCNCCCCOCCFCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s23;s17d23;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-CSZHNKILGMSWKB_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784050;54585850,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,CSZHNKILGMSWKB,CSZHNKILGMSWKB-UHFFFAOYSA-N,"InChI=1S/C19H13FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-14(26-2)12(20)9-11/h1,4-6,8-10H,7H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,22,2,18,19,10,3,9,25,15,17,23,5,20,6,13,12,7,26,24,4,8,14,16,27,21,11/rA:27CCCNCCCNCCSCCNCNCCCCOCCFCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s23;s17d23;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.900;  7.903,7.902,0.001,0.001,2.0,7.902,0.001
-CSZKJNDLOIROKN_on_O15399_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_O60391_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_P41594_WT,High,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-CSZKJNDLOIROKN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_Q05586_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_Q12879_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_Q13224_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZKJNDLOIROKN_on_Q14957_WT,Low,ChEMBL30,CHEMBL4167825,Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12,CSZKJNDLOIROKN,CSZKJNDLOIROKN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3","""AuxInfo=1/0/N:1,9,6,12,18,2,7,10,5,19,15,13,8,11,3,16,4,14,17/E:(3,4)(7,8)(13,14)/rA:19CCNNCCCClCCClCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CSZVJQMMLFBGHJ_on_P41594_WT,High,ChEMBL30,CHEMBL2069392,O=c1sc2c(cccc2)n1Cc1nc(-c2cccc(Cl)c2)no1,CSZVJQMMLFBGHJ,CSZVJQMMLFBGHJ-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O2S/c17-11-5-3-4-10(8-11)15-18-14(22-19-15)9-20-12-6-1-2-7-13(12)23-16(20)21/h1-8H,9H2","""AuxInfo=1/0/N:7,8,17,16,18,6,9,21,11,15,19,5,4,12,14,2,20,13,22,10,1,23,3/rA:23OCSCCCCCCNCCNCCCCCCClCNO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-CTFUQHHYPMIBER_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114951,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1F,CTFUQHHYPMIBER,CTFUQHHYPMIBER-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O2/c1-13-10-15(6-8-23-13)20-18-7-9-27-14(2)12-25(18)21(24-20)16-4-5-17(22)19(11-16)26-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:14,21,1,24,25,10,17,11,18,15,4,22,13,20,9,5,26,16,3,8,6,27,12,7,23,2,19/rA:27COCCCCNCCCCNCCCCCCOCCCNCCCF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-CTIALYPMFHVRTI_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2418381;72163584;CHEMBL2418381,O=C(N1CC2CN(c3ccc(F)cn3)CC2C1)C12CC3CC(CC(C3)C1)C2,CTIALYPMFHVRTI,CTIALYPMFHVRTI-UHFFFAOYSA-N,"InChI=1S/C22H28FN3O/c23-19-1-2-20(24-9-19)25-10-17-12-26(13-18(17)11-25)21(27)22-6-14-3-15(7-22)5-16(4-14)8-22/h1-2,9,14-18H,3-8,10-13H2","""AuxInfo=1/0/N:10,9,21,23,25,27,19,26,13,6,15,4,17,22,20,24,5,16,11,8,2,18,12,14,7,3,1/E:(3,4,5)(6,7,8)(10,11)(12,13)(14,15,16)(17,18)/rA:27OCNCCCNCCCCFCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s8d13;s7;s5s15;s3s16;s2;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;PubChemAID:767436;CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792;PubChemAID:767436;PMID:23932792,2013;2014;2013,1;0;1,0,0,0,0;1;0,,=,  6.320;  6.321;  6.320,6.32,0.0,0.0,3.0,6.32,0.0
-CTOJJFQYXFHGLH_on_O15399_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_O60391_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_Q05586_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_Q12879_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_Q13224_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTOJJFQYXFHGLH_on_Q14957_WT,Low,ChEMBL30,CHEMBL42248,COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,CTOJJFQYXFHGLH,CTOJJFQYXFHGLH-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCBrNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-CTPREUOHTKHCHT_on_O00591_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_O14764_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P14867_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P18505_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P18507_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P28472_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P31644_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P34903_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P47869_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P47870_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P48169_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_P78334_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_Q16445_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTPREUOHTKHCHT_on_Q99928_WT,Low,ChEMBL30,CHEMBL365495,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O,CTPREUOHTKHCHT,CTPREUOHTKHCHT-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2F3N3O2S/c1-23-10-7(11(21)22)9(18)20(19-10)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,9,15,10,7,16,20,6,18,3,21,11,8,17,12,13,14,19,4,5,22,23,2/E:(2,3)(5,6)(13,14)(15,16,17)(21,22)/rA:23CSCNNCCClCCCFFFCCClCNCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-CTUHONHSSVIYTN_on_P18507_WT,Low,ChEMBL30,CHEMBL1079088,Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,CTUHONHSSVIYTN,CTUHONHSSVIYTN-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-2-3-10-9(4-8)13-15-6-17-19(13)5-11-12(14)16-7-18(10)11/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,3,4,7,13,10,18,2,6,5,14,15,8,16,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-CTUHONHSSVIYTN_on_P28472_WT,Low,ChEMBL30,CHEMBL1079088,Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,CTUHONHSSVIYTN,CTUHONHSSVIYTN-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-2-3-10-9(4-8)13-15-6-17-19(13)5-11-12(14)16-7-18(10)11/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,3,4,7,13,10,18,2,6,5,14,15,8,16,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-CTUHONHSSVIYTN_on_P31644_WT,Low,ChEMBL30,CHEMBL1079088,Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,CTUHONHSSVIYTN,CTUHONHSSVIYTN-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-2-3-10-9(4-8)13-15-6-17-19(13)5-11-12(14)16-7-18(10)11/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,3,4,7,13,10,18,2,6,5,14,15,8,16,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-CTVURADERWLPDV_on_Q14833_WT,Low,ChEMBL30,CHEMBL558088,Cc1c(Br)ccc(NC(=O)c2ccco2)c1,CTVURADERWLPDV,CTVURADERWLPDV-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)","""AuxInfo=1/1/N:1,13,12,6,5,14,16,2,7,3,11,9,4,8,10,15/rA:16CCCBrCCCNCOCCCCOC/rB:s1;d2;s3;s3;d5;s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s2d7;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-CTWLXYWBPVKYQM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403663;71712438,O=C1NCCc2c1sc(C#Cc1ccc(F)cc1)n2,CTWLXYWBPVKYQM,CTWLXYWBPVKYQM-UHFFFAOYSA-N,"InChI=1S/C14H9FN2OS/c15-10-4-1-9(2-5-10)3-6-12-17-11-7-8-16-14(18)13(11)19-12/h1-2,4-5H,7-8H2,(H,16,18)","""AuxInfo=1/1/N:13,18,11,14,17,10,5,4,12,15,6,9,7,2,16,3,19,1,8/E:(1,2)(4,5)/rA:19OCNCCCCSCCCCCCCFCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s6d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  5.280;  5.284,5.282,0.002,0.002,2.0,5.282,0.002
-CTWMONZOQPBQSN_on_P18507_WT,Low,ChEMBL30,CHEMBL190358,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(N)cc2)n1,CTWMONZOQPBQSN,CTWMONZOQPBQSN-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCNCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-CTWMONZOQPBQSN_on_P47869_WT,Low,ChEMBL30,CHEMBL190358,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(N)cc2)n1,CTWMONZOQPBQSN,CTWMONZOQPBQSN-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCNCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-CTWMONZOQPBQSN_on_P47870_WT,Low,ChEMBL30,CHEMBL190358,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(N)cc2)n1,CTWMONZOQPBQSN,CTWMONZOQPBQSN-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2,21H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCNCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-CUCYVGNNTAIIAN_on_P14867_WT,Low,ChEMBL30,CHEMBL225631,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CUCYVGNNTAIIAN,CUCYVGNNTAIIAN-UHFFFAOYSA-N,"InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:25,26,27,1,16,15,17,14,18,22,7,4,13,23,21,6,12,9,24,5,3,20,19,10,2,11,8/E:(1,2,3)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-CUCYVGNNTAIIAN_on_P18507_WT,Low,ChEMBL30,CHEMBL225631,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CUCYVGNNTAIIAN,CUCYVGNNTAIIAN-UHFFFAOYSA-N,"InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:25,26,27,1,16,15,17,14,18,22,7,4,13,23,21,6,12,9,24,5,3,20,19,10,2,11,8/E:(1,2,3)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919089;CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.850;  9.440,9.645,0.205,0.205,2.0,9.645,0.205
-CUCYVGNNTAIIAN_on_P28472_WT,Low,ChEMBL30,CHEMBL225631,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CUCYVGNNTAIIAN,CUCYVGNNTAIIAN-UHFFFAOYSA-N,"InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:25,26,27,1,16,15,17,14,18,22,7,4,13,23,21,6,12,9,24,5,3,20,19,10,2,11,8/E:(1,2,3)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919089;CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.850;  9.440,9.645,0.205,0.205,2.0,9.645,0.205
-CUCYVGNNTAIIAN_on_P34903_WT,Low,ChEMBL30,CHEMBL225631,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C,CUCYVGNNTAIIAN,CUCYVGNNTAIIAN-UHFFFAOYSA-N,"InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:25,26,27,1,16,15,17,14,18,22,7,4,13,23,21,6,12,9,24,5,3,20,19,10,2,11,8/E:(1,2,3)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-CUGGYDKITJBIPL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2349551;71580120,Cc1nc(NC(=O)c2nn(C)c(OCc3ccc(F)cc3)c2C)ccc1,CUGGYDKITJBIPL,CUGGYDKITJBIPL-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-12-5-4-6-16(21-12)22-18(25)17-13(2)19(24(3)23-17)26-11-14-7-9-15(20)10-8-14/h4-10H,11H2,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:1,23,11,25,26,24,16,21,17,20,14,2,22,15,18,4,8,6,12,19,3,5,9,10,7,13/E:(7,8)(9,10)/rA:26CCNCNCOCNNCCOCCCCCFCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s8d12;s22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953;PubChemAID:738966,PMID:23434029,2013.0,PMID:23434029;PubChemAID:738966,2013,1;0,0,0,0,0;1,,=,  6.040;  6.040,6.04,0.0,0.0,2.0,6.04,0.0
-CUJGZEKYYIPSMP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL184838;44395191,CCCc1c(OCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,CUJGZEKYYIPSMP,CUJGZEKYYIPSMP-UHFFFAOYSA-N,"InChI=1S/C21H24N4O4/c1-3-5-18-19(11-10-17(14(2)26)20(18)27)29-13-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)","""AuxInfo=1/1/N:1,26,2,8,3,13,20,12,21,23,22,9,7,25,14,11,24,4,5,28,15,16,19,17,18,27,29,10,6/E:(6,7)(8,9)(22,23)(24,25)/rA:29CCCCCOCCCOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s16;s17;s15d18;s14;s11d20;s5;d22;s23;s24;s25;d25;s4d24;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  5.850;  5.848,5.849,0.001,0.001,2.0,5.849,0.001
-CUJXXKFLURFGGI_on_Q13255_WT,High,ChEMBL30,CHEMBL3634439,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1,CUJXXKFLURFGGI,CUJXXKFLURFGGI-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,27,26,8,24,2,7,14,18,15,3,4,12,16,10,19,9,23,6,11,5,13,17,25/E:(7,8)(20,21)/rA:27CCCCONCCNCNCOCCCOCClCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  6.680;  6.680,6.68,0.0,0.0,2.0,6.68,0.0
-CUJXXKFLURFGGI_on_Q14833_WT,High,ChEMBL30,CHEMBL3634439,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1,CUJXXKFLURFGGI,CUJXXKFLURFGGI-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,27,26,8,24,2,7,14,18,15,3,4,12,16,10,19,9,23,6,11,5,13,17,25/E:(7,8)(20,21)/rA:27CCCCONCCNCNCOCCCOCClCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-CUTGCQOPZLWLSV_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL187537;9999945,CC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1,CUTGCQOPZLWLSV,CUTGCQOPZLWLSV-UHFFFAOYSA-N,"InChI=1S/C20H22N4O4/c1-13-18(10-9-17(14(2)25)19(13)26)28-12-4-3-11-27-16-7-5-15(6-8-16)20-21-23-24-22-20/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)","""AuxInfo=1/1/N:8,1,13,12,18,25,17,26,28,27,14,11,7,2,19,16,4,9,5,20,21,24,22,23,3,6,15,10/E:(5,6)(7,8)(21,22)(23,24)/rA:28CCOCCOCCCOCCCCOCCCCCNNNNCCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s20d23;s19;s16d25;s9;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  5.470;  5.473,5.471,0.002,0.002,2.0,5.471,0.002
-CUUNWVLVCLBFMU_on_Q14416_WT,Low,ChEMBL30,CHEMBL1669379,CCCn1ccc2c(c(Cl)cc(N3CCNCC3)c2)c1=O,CUUNWVLVCLBFMU,CUUNWVLVCLBFMU-UHFFFAOYSA-N,"InChI=1S/C16H20ClN3O/c1-2-6-20-7-3-12-10-13(19-8-4-18-5-9-19)11-14(17)15(12)16(20)21/h3,7,10-11,18H,2,4-6,8-9H2,1H3","""AuxInfo=1/0/N:1,2,6,15,17,3,5,14,18,19,11,7,12,9,8,20,10,16,13,4,21/E:(4,5)(8,9)/rA:21CCCNCCCCCClCCNCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s13s17;s7d12;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CUVGUPIVTLGRGI_on_O15399_WT,Low,ChEMBL30,CHEMBL47277;CHEMBL22304;CHEMBL47277;CHEMBL22304,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748786;CHEMBL748787;CHEMBL748198;CHEMBL748788,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.070;  6.660;  6.490;  6.220,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_O60391_WT,Low,ChEMBL30,CHEMBL22304;CHEMBL22304;CHEMBL47277;CHEMBL47277,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.220;  6.660;  7.070;  6.490,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL47277;CHEMBL47277;CHEMBL22304;CHEMBL22304,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748198;CHEMBL748786;CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.490;  7.070;  6.660;  6.220,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_Q05586_WT,Low,ChEMBL30,CHEMBL47277;CHEMBL22304;CHEMBL47277;CHEMBL22304,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748786;CHEMBL748788;CHEMBL748198;CHEMBL748787,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.070;  6.220;  6.490;  6.660,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_Q12879_WT,Low,ChEMBL30,CHEMBL47277;CHEMBL47277;CHEMBL22304;CHEMBL22304,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748786;CHEMBL748198;CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.070;  6.490;  6.220;  6.660,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_Q13224_WT,Low,ChEMBL30,CHEMBL22304;CHEMBL47277;CHEMBL22304;CHEMBL47277,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748198;CHEMBL748787;CHEMBL748786,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.220;  6.490;  6.660;  7.070,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUVGUPIVTLGRGI_on_Q14957_WT,Low,ChEMBL30,CHEMBL47277;CHEMBL22304;CHEMBL47277;CHEMBL22304,O=C(O)C1CN(CCCP(=O)(O)O)CCN1,CUVGUPIVTLGRGI,CUVGUPIVTLGRGI-UHFFFAOYSA-N,"InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,14,9,5,4,2,16,6,1,3,11,12,13,10/E:(11,12)(13,14,15)/rA:16OCOCCNCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s10;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748786;CHEMBL748788;CHEMBL748198;CHEMBL748787,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X;DOI:10.1016/S0960-894X(00)80086-4;DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.070;  6.220;  6.490;  6.660,6.61,0.308,0.17800000000000002,4.0,6.575,0.22
-CUXIMISANUNCKN_on_P41594_WT,High,ChEMBL30,CHEMBL3644404,CCC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21,CUXIMISANUNCKN,CUXIMISANUNCKN-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c1-2-21(28)18-8-4-7-17-16(18)9-10-27-20(17)11-22(24-12-23(27)29)26-13-19(25-14-26)15-5-3-6-15/h4,7-8,11,13-15H,2-3,5-6,9-10,12H2,1H3","""AuxInfo=1/0/N:1,2,25,7,24,26,8,6,11,12,28,16,27,20,23,10,9,5,22,29,3,18,14,17,21,19,13,4,15/E:(5,6)/rA:29CCCOCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s24;s23s25;s19d22;s18;s9s13w?28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-CUXIMISANUNCKN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644404,CCC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21,CUXIMISANUNCKN,CUXIMISANUNCKN-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c1-2-21(28)18-8-4-7-17-16(18)9-10-27-20(17)11-22(24-12-23(27)29)26-13-19(25-14-26)15-5-3-6-15/h4,7-8,11,13-15H,2-3,5-6,9-10,12H2,1H3","""AuxInfo=1/0/N:1,2,25,7,24,26,8,6,11,12,28,16,27,20,23,10,9,5,22,29,3,18,14,17,21,19,13,4,15/E:(5,6)/rA:29CCCOCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s24;s23s25;s19d22;s18;s9s13w?28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-CVAQGQQKWMAYLM_on_P41594_WT,Medium,ChEMBL30,CHEMBL4114899;CHEMBL3907249,COC1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C,CVAQGQQKWMAYLM,CVAQGQQKWMAYLM-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O2/c1-19(2)12-23(17(24)16(19)25-3)18-21-10-14(11-22-18)8-7-13-5-4-6-15(20)9-13/h4-6,9-11,16H,12H2,1-3H3","""AuxInfo=1/0/N:24,25,1,15,14,16,12,11,19,9,20,22,13,10,17,3,4,7,23,18,8,21,6,5,2/E:(1,2)(10,11)(21,22)/rA:25COCCONCNCCCCCCCCCFCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.680;  7.460,7.57,0.11,0.11,2.0,7.57,0.11
-CVBWBHLJBLFSFF_on_P41594_WT,Medium,ChEMBL30,CHEMBL397121,Cc1nc(NC(=O)c2nccc(-c3cc(F)cc(F)c3)c2)ccc1,CVBWBHLJBLFSFF,CVBWBHLJBLFSFF-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,23,24,22,11,10,14,20,21,17,2,12,13,15,18,8,4,6,16,19,9,3,5,7/E:(7,8)(14,15)(19,20)/rA:24CCNCNCOCNCCCCCCFCCFCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;s8d12;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL886825,PMID:17336520,2007.0,PMID:17336520,2007,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-CVFAZLHMMROFKQ_on_O15399_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_O60391_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFAZLHMMROFKQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL43910,Oc1c(O)cc2nc(O)c(O)nc2c1,CVFAZLHMMROFKQ,CVFAZLHMMROFKQ-UHFFFAOYSA-N,"InChI=1S/C8H6N2O4/c11-5-1-3-4(2-6(5)12)10-8(14)7(13)9-3/h1-2,11-12H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:5,14,6,13,3,2,8,10,7,12,4,1,9,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14OCCOCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CVFJZQMCHKSCEI_on_P41594_WT,High,ChEMBL30,CHEMBL1682832,COC(=O)N1CCOc2c1ncc(COc1ccccc1)c2,CVFJZQMCHKSCEI,CVFJZQMCHKSCEI-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-20-16(19)18-7-8-21-14-9-12(10-17-15(14)18)11-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,6,7,22,12,14,13,16,9,10,3,11,5,4,2,8,15/E:(3,4)(5,6)/rA:22COCONCCOCCNCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.320;  6.320,6.32,0.0,0.0,2.0,6.32,0.0
-CVGSBYQJDYXQRK_on_Q13255_WT,High,ChEMBL30,CHEMBL3628115,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cncc4)C3=O)c(Cl)c2)occ1,CVGSBYQJDYXQRK,CVGSBYQJDYXQRK-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,9,19,27,18,26,24,16,2,7,14,15,22,10,3,4,12,20,23,17,6,11,5,13,21,25/rA:27CCCCONCCCCNCOCCCNCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.000;  7.010,7.005,0.005,0.005,2.0,7.005,0.005
-CVGSBYQJDYXQRK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3628115,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cncc4)C3=O)c(Cl)c2)occ1,CVGSBYQJDYXQRK,CVGSBYQJDYXQRK-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,9,19,27,18,26,24,16,2,7,14,15,22,10,3,4,12,20,23,17,6,11,5,13,21,25/rA:27CCCCONCCCCNCOCCCNCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-CVIQAXGTYHLXOI_on_P18507_WT,Low,ChEMBL30,CHEMBL1783268,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C)C4=O)nc23)c1,CVIQAXGTYHLXOI,CVIQAXGTYHLXOI-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22)","""AuxInfo=1/1/N:21,1,8,12,11,13,4,5,26,19,3,10,14,9,18,6,17,15,25,22,16,24,20,23,2,7/rA:26COCCCCOCCCCCCCCNCCCNCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s17s20;d22;s18;s10s14d24;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CVIQAXGTYHLXOI_on_P28472_WT,Low,ChEMBL30,CHEMBL1783268,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C)C4=O)nc23)c1,CVIQAXGTYHLXOI,CVIQAXGTYHLXOI-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22)","""AuxInfo=1/1/N:21,1,8,12,11,13,4,5,26,19,3,10,14,9,18,6,17,15,25,22,16,24,20,23,2,7/rA:26COCCCCOCCCCCCCCNCCCNCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s17s20;d22;s18;s10s14d24;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CVIQAXGTYHLXOI_on_P47869_WT,Low,ChEMBL30,CHEMBL1783268,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C)C4=O)nc23)c1,CVIQAXGTYHLXOI,CVIQAXGTYHLXOI-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22)","""AuxInfo=1/1/N:21,1,8,12,11,13,4,5,26,19,3,10,14,9,18,6,17,15,25,22,16,24,20,23,2,7/rA:26COCCCCOCCCCCCCCNCCCNCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s17s20;d22;s18;s10s14d24;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-CVIRWLJKDBYYOG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL254372,C=C1CC2COC(=O)C2(Cc2cc3c(cccc3)cc2)C1,CVIRWLJKDBYYOG,CVIRWLJKDBYYOG-UHFFFAOYSA-N,"InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2","""AuxInfo=1/0/N:1,16,17,15,18,20,19,3,12,21,10,5,2,11,14,13,4,7,9,8,6/rA:21CCCCCOCOCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s4s7;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s14;s11d19;s2s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:17489573,2007.0,PMID:17489573,2007,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-CVJFMFGKTFDXQX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3915530,c1ccc2ncc(Nc3c4ncccc4n[nH]3)cc2c1,CVJFMFGKTFDXQX,CVJFMFGKTFDXQX-UHFFFAOYSA-N,"InChI=1S/C15H11N5/c1-2-5-12-10(4-1)8-11(9-17-12)18-15-14-13(19-20-15)6-3-7-16-14/h1-9H,(H2,18,19,20)","""AuxInfo=1/1/N:1,2,13,20,3,14,12,18,6,19,7,4,15,10,9,11,5,8,16,17/rA:20CCCCNCCNCCNCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;d7;s4s18;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-CVKCDJDKFLODQU_on_P14867_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CVKCDJDKFLODQU_on_P18507_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273616;CHEMBL1273618;CHEMBL1273620;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700;  5.700;  5.700;  5.520;  5.300;  5.700,5.603,0.151,0.067,6.0,5.7,0.0
-CVKCDJDKFLODQU_on_P28472_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273620;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700;  5.700;  5.700;  5.700;  5.300;  5.520,5.603,0.151,0.067,6.0,5.7,0.0
-CVKCDJDKFLODQU_on_P31644_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CVKCDJDKFLODQU_on_P34903_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CVKCDJDKFLODQU_on_P47869_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-CVKCDJDKFLODQU_on_P48169_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-CVKCDJDKFLODQU_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270739,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl,CVKCDJDKFLODQU,CVKCDJDKFLODQU-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCClClCl/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-CVNPFPRAINQAHI_on_P14867_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-CVNPFPRAINQAHI_on_P18507_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.920;  7.620;  7.510,7.683,0.17300000000000001,0.12300000000000001,3.0,7.62,0.11
-CVNPFPRAINQAHI_on_P28472_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.920;  7.510;  7.620,7.683,0.17300000000000001,0.12300000000000001,3.0,7.62,0.11
-CVNPFPRAINQAHI_on_P31644_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CVNPFPRAINQAHI_on_P34903_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CVNPFPRAINQAHI_on_P47869_WT,Low,ChEMBL30,CHEMBL54422,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1,CVNPFPRAINQAHI,CVNPFPRAINQAHI-UHFFFAOYSA-N,"InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,24,25,5,29,4,30,10,14,11,13,28,26,6,23,9,3,7,19,22,8,20,17,12,21,15,18,2,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s23s24;d22;s20s26;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-CVOASAXXOXOGQG_on_P14867_WT,Low,ChEMBL30,CHEMBL207840,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1,CVOASAXXOXOGQG,CVOASAXXOXOGQG-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H,"""AuxInfo=1/0/N:7,8,27,28,6,11,26,14,21,23,12,13,3,2,9,19,24,17,18,4,1,10,20,25,22,5,15,16/E:(9,10)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-CVOASAXXOXOGQG_on_P18507_WT,Low,ChEMBL30,CHEMBL207840,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1,CVOASAXXOXOGQG,CVOASAXXOXOGQG-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H,"""AuxInfo=1/0/N:7,8,27,28,6,11,26,14,21,23,12,13,3,2,9,19,24,17,18,4,1,10,20,25,22,5,15,16/E:(9,10)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865019;CHEMBL865020;CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.490;  8.520;  9.100,8.703,0.281,0.19899999999999998,3.0,8.52,0.03
-CVOASAXXOXOGQG_on_P28472_WT,Low,ChEMBL30,CHEMBL207840,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1,CVOASAXXOXOGQG,CVOASAXXOXOGQG-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H,"""AuxInfo=1/0/N:7,8,27,28,6,11,26,14,21,23,12,13,3,2,9,19,24,17,18,4,1,10,20,25,22,5,15,16/E:(9,10)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865018;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.520;  9.100;  8.490,8.703,0.281,0.19899999999999998,3.0,8.52,0.03
-CVOASAXXOXOGQG_on_P31644_WT,Low,ChEMBL30,CHEMBL207840,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1,CVOASAXXOXOGQG,CVOASAXXOXOGQG-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H,"""AuxInfo=1/0/N:7,8,27,28,6,11,26,14,21,23,12,13,3,2,9,19,24,17,18,4,1,10,20,25,22,5,15,16/E:(9,10)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-CVOASAXXOXOGQG_on_P34903_WT,Low,ChEMBL30,CHEMBL207840,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1,CVOASAXXOXOGQG,CVOASAXXOXOGQG-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H,"""AuxInfo=1/0/N:7,8,27,28,6,11,26,14,21,23,12,13,3,2,9,19,24,17,18,4,1,10,20,25,22,5,15,16/E:(9,10)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCNCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-CVOJZCARFHUPQD_on_Q13255_WT,High,ChEMBL30,CHEMBL3634427,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(C(F)(F)F)c2)occ1,CVOJZCARFHUPQD,CVOJZCARFHUPQD-UHFFFAOYSA-N,"InChI=1S/C22H15F3N2O4/c1-11-4-3-5-14-17(11)21(30)27(20(14)29)16-7-6-13(10-15(16)22(23,24)25)26-19(28)18-12(2)8-9-31-18/h3-10H,1-2H3,(H,26,28)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,31,30,28,18,2,7,14,23,10,15,3,4,12,16,24,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCCCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  6.280;  6.270,6.275,0.005,0.005,2.0,6.275,0.005
-CVOJZCARFHUPQD_on_Q14833_WT,High,ChEMBL30,CHEMBL3634427,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(C(F)(F)F)c2)occ1,CVOJZCARFHUPQD,CVOJZCARFHUPQD-UHFFFAOYSA-N,"InChI=1S/C22H15F3N2O4/c1-11-4-3-5-14-17(11)21(30)27(20(14)29)16-7-6-13(10-15(16)22(23,24)25)26-19(28)18-12(2)8-9-31-18/h3-10H,1-2H3,(H,26,28)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,31,30,28,18,2,7,14,23,10,15,3,4,12,16,24,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCCCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-CVUBKDHLSVIKFS_on_P41594_WT,High,ChEMBL30,CHEMBL2151465,O=C(c1ccc(F)cc1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1,CVUBKDHLSVIKFS,CVUBKDHLSVIKFS-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-14-3-1-2-12(8-14)16-21-17(25-22-16)13-9-23(10-13)18(24)11-4-6-15(20)7-5-11/h1-8,13H,9-10H2","""AuxInfo=1/0/N:21,22,20,4,9,5,8,17,11,25,3,16,12,18,6,15,13,2,19,7,14,23,10,1,24/E:(4,5)(6,7)(9,10)/rA:25OCCCCCFCCNCCCNCCCCClCCCNOC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-CVWSJJBPQWZTHO_on_Q14416_WT,High,ChEMBL30,CHEMBL594205,COCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2,CVWSJJBPQWZTHO,CVWSJJBPQWZTHO-UHFFFAOYSA-N,"InChI=1S/C19H23ClN6O/c1-27-11-10-26-17-5-3-2-4-16(17)23-18(26)14-24-6-8-25(9-7-24)19-21-12-15(20)13-22-19/h2-5,12-13H,6-11,14H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,9,20,10,19,4,3,14,17,7,15,22,23,6,12,16,13,18,21,8,11,5,2/E:(6,7)(8,9)(12,13)(21,22)/rA:27COCCNCCNCCNCNCCClCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s8s19;d6;s21;s5d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-CVZIRDLTVVTXNF_on_P14867_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-CVZIRDLTVVTXNF_on_P18507_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682708;CHEMBL680431;CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.170;  6.140;  6.420,6.242999999999999,0.126,0.08900000000000001,3.0,6.17,0.03
-CVZIRDLTVVTXNF_on_P28472_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.140;  6.170,6.155,0.015,0.015,2.0,6.155,0.015
-CVZIRDLTVVTXNF_on_P34903_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-CVZIRDLTVVTXNF_on_P47869_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-CVZIRDLTVVTXNF_on_P47870_WT,Low,ChEMBL30,CHEMBL29213,O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12,CVZIRDLTVVTXNF,CVZIRDLTVVTXNF-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18(16-11-20-17-8-4-3-7-15(16)17)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11,20H,9-10,12H2","""AuxInfo=1/0/N:12,11,21,20,13,10,22,19,7,6,16,14,8,9,23,15,18,2,3,17,5,1,4/rA:23OCCONCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s2;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-CVZWKJSPJYNXCC_on_P18507_WT,Low,ChEMBL30,CHEMBL235578,FC(F)(F)c1cc(Cl)c(-n2cc(CCCCl)nn2)c(Cl)c1,CVZWKJSPJYNXCC,CVZWKJSPJYNXCC-UHFFFAOYSA-N,"InChI=1S/C12H9Cl3F3N3/c13-3-1-2-8-6-21(20-19-8)11-9(14)4-7(5-10(11)15)12(16,17)18/h4-6H,1-3H2","""AuxInfo=1/0/N:14,13,15,6,21,11,5,12,7,19,9,2,16,8,20,1,3,4,17,18,10/E:(4,5)(9,10)(14,15)(16,17,18)/rA:21FCFFCCCClCNCCCCCClNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s12;s10d17;s9;s19;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-CVZWKJSPJYNXCC_on_P47869_WT,Low,ChEMBL30,CHEMBL235578,FC(F)(F)c1cc(Cl)c(-n2cc(CCCCl)nn2)c(Cl)c1,CVZWKJSPJYNXCC,CVZWKJSPJYNXCC-UHFFFAOYSA-N,"InChI=1S/C12H9Cl3F3N3/c13-3-1-2-8-6-21(20-19-8)11-9(14)4-7(5-10(11)15)12(16,17)18/h4-6H,1-3H2","""AuxInfo=1/0/N:14,13,15,6,21,11,5,12,7,19,9,2,16,8,20,1,3,4,17,18,10/E:(4,5)(9,10)(14,15)(16,17,18)/rA:21FCFFCCCClCNCCCCCClNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s12;s10d17;s9;s19;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-CVZWKJSPJYNXCC_on_P47870_WT,Low,ChEMBL30,CHEMBL235578,FC(F)(F)c1cc(Cl)c(-n2cc(CCCCl)nn2)c(Cl)c1,CVZWKJSPJYNXCC,CVZWKJSPJYNXCC-UHFFFAOYSA-N,"InChI=1S/C12H9Cl3F3N3/c13-3-1-2-8-6-21(20-19-8)11-9(14)4-7(5-10(11)15)12(16,17)18/h4-6H,1-3H2","""AuxInfo=1/0/N:14,13,15,6,21,11,5,12,7,19,9,2,16,8,20,1,3,4,17,18,10/E:(4,5)(9,10)(14,15)(16,17,18)/rA:21FCFFCCCClCNCCCCCClNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s12;s10d17;s9;s19;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-CWDRRLFHHJPBBQ_on_P41594_WT,High,ChEMBL30,CHEMBL4096394,O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1,CWDRRLFHHJPBBQ,CWDRRLFHHJPBBQ-UHFFFAOYSA-N,"InChI=1S/C21H11Cl2F2NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(24)9-19(16)26-11-20(21)29(27,28)15-6-8-18(25)17(23)10-15/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,5,20,6,16,11,13,23,26,17,4,21,9,7,15,12,22,27,10,18,8,14,1,3,2/E:(1,2)(3,4)(27,28)/CRV:29.6/rA:29OSOCCCCFCClCCCNCCCFCCCCCCCCClCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-CWESSVGZCQTXCA_on_P41594_WT,High,ChEMBL30,CHEMBL2403584,O=C(N1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,CWESSVGZCQTXCA,CWESSVGZCQTXCA-UHFFFAOYSA-N,"InChI=1S/C19H19N3OS/c23-19(21-11-4-5-12-21)22-13-10-16-17(14-22)24-18(20-16)9-8-15-6-2-1-3-7-15/h1-3,6-7H,4-5,10-14H2","""AuxInfo=1/0/N:21,20,22,5,6,19,23,17,16,10,4,7,9,13,18,11,12,15,2,24,3,8,1,14/E:(2,3)(4,5)(6,7)(11,12)/rA:24OCNCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-CWKQXLGCXDSRQC_on_P31644_WT,High,ChEMBL30,CHEMBL3681456,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccncc2)no1,CWKQXLGCXDSRQC,CWKQXLGCXDSRQC-UHFFFAOYSA-N,"InChI=1S/C20H20N4O4/c1-14-17(19(23-28-14)15-4-6-21-7-5-15)13-27-18-3-2-16(12-22-18)20(25)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,8,7,22,26,23,25,13,17,14,16,18,4,2,21,9,3,6,20,10,24,19,27,12,11,15,5,28/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCCCOCCCCCONCCOCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-CWRHLZYFJWDGHH_on_Q13255_WT,High,ChEMBL30,CHEMBL2397379,CC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1c1c(C#N)cccc1,CWRHLZYFJWDGHH,CWRHLZYFJWDGHH-UHFFFAOYSA-N,"InChI=1S/C23H29N3O/c1-16-15-25(6-7-26(16)21-5-3-2-4-20(21)14-24)22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,16-19H,6-13,15H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,17,18,10,12,14,16,8,15,22,3,2,11,9,13,21,20,5,7,23,4,19,6/E:(8,9,10)(11,12,13)(17,18,19)/rA:27CCCNCOCCCCCCCCCCCCNCCCNCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;s7s13;s7s11;s4;s17;s2s18;s19;d20;s21;t22;s21;d24;s25;s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  5.610;  5.610,5.61,0.0,0.0,2.0,5.61,0.0
-CWRYRTIWJWUWEF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922857;CHEMBL4111267,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1,CWRYRTIWJWUWEF,CWRYRTIWJWUWEF-UHFFFAOYSA-N,"InChI=1S/C23H17ClFN3O2/c24-22-8-1-13(12-27-22)9-21(29)15-4-7-17-18(14-2-5-16(25)6-3-14)11-20(23(26)30)28-19(17)10-15/h1-8,10-12,21,29H,9H2,(H2,26,30)","""AuxInfo=1/1/N:22,8,13,16,9,12,15,23,20,28,5,27,21,7,17,10,14,6,29,4,18,24,2,25,11,1,26,30,19,3/E:(2,3)(5,6)/rA:30NCOCCCCCCCFCCCCCCCOCCCCCClNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s18;s20;d21;s22;d23;s24;s24;s21d26;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  7.820,7.91,0.09,0.09,2.0,7.91,0.09
-CWUCKIADERNOQA_on_P18507_WT,Low,ChEMBL30,CHEMBL235407,CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,CWUCKIADERNOQA,CWUCKIADERNOQA-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-CWUCKIADERNOQA_on_P28472_WT,High,ChEMBL30,CHEMBL235407,CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,CWUCKIADERNOQA,CWUCKIADERNOQA-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-CWUCKIADERNOQA_on_P47869_WT,Low,ChEMBL30,CHEMBL235407,CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,CWUCKIADERNOQA,CWUCKIADERNOQA-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-CWUCKIADERNOQA_on_P47870_WT,Low,ChEMBL30,CHEMBL235407,CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,CWUCKIADERNOQA,CWUCKIADERNOQA-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-CWUDXTOMSGYZBT_on_P14867_WT,Low,ChEMBL30,CHEMBL52962,c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,CWUDXTOMSGYZBT,CWUDXTOMSGYZBT-UHFFFAOYSA-N,"InChI=1S/C22H16N4S/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCSCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CWUDXTOMSGYZBT_on_P31644_WT,Low,ChEMBL30,CHEMBL52962,c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,CWUDXTOMSGYZBT,CWUDXTOMSGYZBT-UHFFFAOYSA-N,"InChI=1S/C22H16N4S/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCSCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CWUDXTOMSGYZBT_on_P34903_WT,Low,ChEMBL30,CHEMBL52962,c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,CWUDXTOMSGYZBT,CWUDXTOMSGYZBT-UHFFFAOYSA-N,"InChI=1S/C22H16N4S/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCSCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CWUDXTOMSGYZBT_on_P47869_WT,Low,ChEMBL30,CHEMBL52962,c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,CWUDXTOMSGYZBT,CWUDXTOMSGYZBT-UHFFFAOYSA-N,"InChI=1S/C22H16N4S/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCSCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CWVGBFDKAQZNFM_on_Q14833_WT,High,ChEMBL30,CHEMBL4240579,Cn1nc(C(=O)NC2CC(F)(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,CWVGBFDKAQZNFM,CWVGBFDKAQZNFM-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-28-14-7-10(23-17-16-13(25-26-17)3-2-6-22-16)4-5-12(14)15(27-28)18(29)24-11-8-19(20,21)9-11/h2-7,11H,8-9H2,1H3,(H,24,29)(H2,23,25,26)","""AuxInfo=1/1/N:1,23,24,28,29,22,16,9,13,17,8,14,25,15,4,20,19,5,10,11,12,21,18,7,26,27,3,2,6/E:(8,9)(20,21)/rA:29CNNCCONCCCFFCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s10;s8s10;s4;s2d14;s15;d16;s17;s18;d19;s20;d21;s22;d23;s20s24;d25;s19s26;s17;s14d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-CWXZLJAAOACKQS_on_Q13255_WT,Medium,ChEMBL30,CHEMBL233710,COCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1,CWXZLJAAOACKQS,CWXZLJAAOACKQS-UHFFFAOYSA-N,"InChI=1S/C17H24N2O4/c1-10-13(9-19-15(10)16(20)18-5-6-22-2)17(21)23-14-8-11-3-4-12(14)7-11/h9,11-12,14,19H,3-8H2,1-2H3,(H,18,20)","""AuxInfo=1/1/N:10,1,18,19,4,3,21,16,22,9,17,20,11,15,8,6,12,5,23,7,13,2,14/rA:23COCCNCOCCCCCOOCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s17s20;d11;s8s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-CWYCCPKXLXAXHU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3898912,CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C,CWYCCPKXLXAXHU,CWYCCPKXLXAXHU-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-20-12-15(13-21-17)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,11H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,20,8,18,12,9,5,6,3,21,7,19,2,4/E:(1,2)(5,6)(7,8)(12,13)(20,21)/rA:23CNCOCCNCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-CXCIHOWTULOSBG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3984897,Fc1ccc(Nc2c3ncccc3n[nH]2)cc1C(F)(F)F,CXCIHOWTULOSBG,CXCIHOWTULOSBG-UHFFFAOYSA-N,"InChI=1S/C13H8F4N4/c14-9-4-3-7(6-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,17,2,13,8,7,18,1,19,20,21,9,6,14,15/E:(15,16,17)/rA:21FCCCCNCCNCCCCNNCCCFFF/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-CXEDABSBOIDRFN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2179312;57459485,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CN3CCCC3)nnc12,CXEDABSBOIDRFN,CXEDABSBOIDRFN-UHFFFAOYSA-N,"InChI=1S/C23H26N6/c24-16-20-21(28-13-8-19(9-14-28)18-6-2-1-3-7-18)10-15-29-22(25-26-23(20)29)17-27-11-4-5-12-27/h1-3,6-7,10,15,19H,4-5,8-9,11-14,17H2","""AuxInfo=1/0/N:12,11,13,24,25,10,14,7,15,17,23,26,6,16,18,2,21,9,8,3,4,20,29,1,27,28,22,5,19/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:29NCCCNCCCCCCCCCCCCCNCCNCCCCNNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s23;s24;s22s25;d20;s27;s3s19d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482;PubChemAID:711294,PMID:23072213,2012.0,PMID:23072213;PubChemAID:711294,2012;2013,0,1;0,0,0,0;1,,=,  5.950;  5.951,5.95,0.0,0.0,2.0,5.95,0.0
-CXEQBJJWLQGGQA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3946582,CC1(C)CCCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,CXEQBJJWLQGGQA,CXEQBJJWLQGGQA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-20(2)13-6-14-22(19(23)24-20)18-12-11-17(15-21-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,13-14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,5,15,19,13,12,10,9,4,6,20,14,11,8,22,2,21,7,23,24/E:(1,2)(4,5)(7,8)/rA:24CCCCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-CXFLGSOEVKCMNO_on_O15399_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_O60391_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_Q05586_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_Q12879_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_Q13224_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXFLGSOEVKCMNO_on_Q14957_WT,Low,ChEMBL30,CHEMBL415077,N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CXFLGSOEVKCMNO,CXFLGSOEVKCMNO-UHFFFAOYSA-N,"InChI=1S/C23H27N3/c24-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)25-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,7,6,11,15,8,5,20,22,24,26,18,25,21,19,23,10,9,4,2,17,1,3,16/E:(2,3)(6,7)(10,11,12)(13,14,15)(16,17,18)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CXKBLLTXEPZWEJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL186378,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(OC(F)(F)F)cccc2)c1,CXKBLLTXEPZWEJ,CXKBLLTXEPZWEJ-UHFFFAOYSA-N,"InChI=1S/C19H11F4N5O/c20-13-9-12(15-5-1-2-7-17(15)29-19(21,22)23)10-14(11-13)28-26-18(25-27-28)16-6-3-4-8-24-16/h1-11H","""AuxInfo=1/0/N:27,26,13,12,28,14,25,11,29,16,3,17,2,4,18,9,19,8,21,1,22,23,24,10,7,15,6,5,20/E:(21,22,23)/rA:29FCCCNNNCCNCCCCNCCCCOCFFFCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s20;s21;s21;s21;s19;d25;s26;s18d27;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-CXLDVNGGEFBOLV_on_P41594_WT,High,ChEMBL30,CHEMBL3314808,O=C(Nc1cncc(Oc2cccnc2)c1)c1cc(Cl)ccc1,CXLDVNGGEFBOLV,CXLDVNGGEFBOLV-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(7-13)17(22)21-14-8-16(11-20-9-14)23-15-5-2-6-19-10-15/h1-11H,(H,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,13,18,16,5,15,7,17,19,4,10,8,2,20,14,6,3,1,9/rA:23OCNCCNCCOCCCCNCCCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.560;  6.630,6.595,0.035,0.035,2.0,6.595,0.035
-CXLGRDWQPOPFMB_on_P31644_WT,High,ChEMBL30,CHEMBL3676465,Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccccc2)no1,CXLGRDWQPOPFMB,CXLGRDWQPOPFMB-UHFFFAOYSA-N,"InChI=1S/C19H19N3O4/c1-13-16(18(22-26-13)14-5-3-2-4-6-14)12-25-17-8-7-15(11-21-17)19(24)20-9-10-23/h2-8,11,23H,9-10,12H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,22,21,23,20,24,8,7,13,14,16,4,2,19,9,3,6,18,10,12,17,25,15,11,5,26/E:(3,4)(5,6)/rA:26CCCCOCCCCCONCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-CXNUOOTVTMVRCI_on_P14867_WT,Low,ChEMBL30,CHEMBL2420455,On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1,CXNUOOTVTMVRCI,CXNUOOTVTMVRCI-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-23(21(15-26-29)19-11-13-25-14-12-19)22-17-28(16-18-7-3-1-4-8-18)24(27-22)20-9-5-2-6-10-20/h1-10,15,17,19,25,30H,11-14,16H2","""AuxInfo=1/0/N:20,27,19,21,26,28,18,22,25,29,7,11,8,10,4,16,14,17,6,24,5,13,12,23,9,3,30,15,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONNCCCCCNCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s23;d24;s25;d26;s27;s24d28;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.110;  6.100,6.105,0.005,0.005,2.0,6.105,0.005
-CXNUOOTVTMVRCI_on_P18507_WT,Low,ChEMBL30,CHEMBL2420455,On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1,CXNUOOTVTMVRCI,CXNUOOTVTMVRCI-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-23(21(15-26-29)19-11-13-25-14-12-19)22-17-28(16-18-7-3-1-4-8-18)24(27-22)20-9-5-2-6-10-20/h1-10,15,17,19,25,30H,11-14,16H2","""AuxInfo=1/0/N:20,27,19,21,26,28,18,22,25,29,7,11,8,10,4,16,14,17,6,24,5,13,12,23,9,3,30,15,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONNCCCCCNCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s23;d24;s25;d26;s27;s24d28;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.110;  6.100,6.105,0.005,0.005,2.0,6.105,0.005
-CXNUOOTVTMVRCI_on_P47870_WT,Low,ChEMBL30,CHEMBL2420455,On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1,CXNUOOTVTMVRCI,CXNUOOTVTMVRCI-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-23(21(15-26-29)19-11-13-25-14-12-19)22-17-28(16-18-7-3-1-4-8-18)24(27-22)20-9-5-2-6-10-20/h1-10,15,17,19,25,30H,11-14,16H2","""AuxInfo=1/0/N:20,27,19,21,26,28,18,22,25,29,7,11,8,10,4,16,14,17,6,24,5,13,12,23,9,3,30,15,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONNCCCCCNCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s23;d24;s25;d26;s27;s24d28;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.110;  6.100,6.105,0.005,0.005,2.0,6.105,0.005
-CXOBWJUAOFASQO_on_P41594_WT,High,ChEMBL30,CHEMBL3672903,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nnc(Cl)c2,CXOBWJUAOFASQO,CXOBWJUAOFASQO-UHFFFAOYSA-N,"InChI=1S/C15H12BrClN6O/c16-10-7-18-14-6-12(21-23(14)8-10)15(24)22-3-1-9-5-13(17)20-19-11(9)2-4-22/h5-8H,1-4H2","""AuxInfo=1/0/N:15,18,14,19,24,12,9,6,16,7,17,3,22,11,2,8,23,10,20,21,4,13,5,1/rA:24OCCNNCCBrCNCCNCCCCCCNNCClC/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;d20;s21;s22;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-CXOFVDLJLONNDW_on_O00591_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_O14764_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P14867_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P18505_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P18507_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P28472_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P31644_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P34903_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P47869_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P47870_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P48169_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_P78334_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_Q16445_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXOFVDLJLONNDW_on_Q99928_WT,Low,ChEMBL30,CHEMBL16,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CXOFVDLJLONNDW,CXOFVDLJLONNDW-UHFFFAOYSA-N,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,7,13,4,2,6,3,19,5,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)/rA:19OCNCOCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CXPRVVXZQADJEH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978639,N#Cc1nc2c(ccc(CCc3cncnc3)c2)c(-c2ccc(F)cc2)c1,CXPRVVXZQADJEH,CXPRVVXZQADJEH-UHFFFAOYSA-N,"InChI=1S/C22H15FN4/c23-18-6-4-17(5-7-18)21-10-19(11-24)27-22-9-15(3-8-20(21)22)1-2-16-12-25-14-26-13-16/h3-10,12-14H,1-2H2","""AuxInfo=1/0/N:10,11,8,21,26,22,25,7,18,27,2,13,17,15,9,12,20,23,3,6,19,5,24,1,14,16,4/E:(4,5)(6,7)(12,13)(25,26)/rA:27NCCNCCCCCCCCCNCNCCCCCCCFCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s5d9;s6;s19;d20;s21;d22;s23;s23;s20d25;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-CXSRRWDESYDWAM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3922822,CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCC21,CXSRRWDESYDWAM,CXSRRWDESYDWAM-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,14,23,13,15,24,22,11,10,8,7,18,19,12,9,16,25,21,6,3,17,20,2,5,4/rA:25CNCONCCCCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s22;s23;s2s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-CXTMBWBHTXAOFX_on_O00222_WT,Low,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1786301,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CXTMBWBHTXAOFX_on_P41594_WT,Medium,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786293;CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,0;1,0,0,1;0,0,,=,  6.360;  6.270,6.315,0.045,0.045,2.0,6.315,0.045
-CXTMBWBHTXAOFX_on_Q13255_WT,High,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.200;  6.200,6.2,0.0,0.0,2.0,6.2,0.0
-CXTMBWBHTXAOFX_on_Q14416_WT,Low,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1786297,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CXTMBWBHTXAOFX_on_Q14831_WT,Low,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1786300,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CXTMBWBHTXAOFX_on_Q14832_WT,Low,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1786298,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CXTMBWBHTXAOFX_on_Q14833_WT,Low,ChEMBL30,CHEMBL1688377,O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2,CXTMBWBHTXAOFX,CXTMBWBHTXAOFX-UHFFFAOYSA-N,"InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","""AuxInfo=1/0/N:9,4,13,5,12,10,17,19,21,23,15,22,18,16,20,2,7,14,8,3,6,1,11/E:(2,3)(4,5)(7,8,9)(10,11,12)(13,14,15)/rA:23OCNCCNCNCCSCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s6;s3s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1786299,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-CXZQMAQITIABQR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,53319313;CHEMBL1630061,Cc1c(C(C)OC(=O)Nc2cc(Cl)ccc2)oc2ncnn12,CXZQMAQITIABQR,CXZQMAQITIABQR-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,18,20)","""AuxInfo=1/1/N:1,5,15,14,16,11,20,2,4,12,10,3,18,7,13,19,21,9,22,8,6,17/rA:22CCCCCOCONCCCClCCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:546886;CHEMBL1639082,PMID:21051228,2010.0,PubChemAID:546886;PMID:21051228,2011;2010,0;1,0,0,0,1;0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-CYABDBONZXVBIX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290159,OC1CN(CCCSc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,CYABDBONZXVBIX,CYABDBONZXVBIX-UHFFFAOYSA-N,"InChI=1S/C26H29NO2S/c28-26-19-27(15-7-17-30-24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)29-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:27,12,26,28,11,13,6,25,29,10,14,20,19,16,5,15,7,30,3,23,24,17,21,9,18,2,4,1,22,8/E:(3,4)(5,6)(8,9)(10,11)/rA:30OCCNCCCSCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-CYABDBONZXVBIX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290159,OC1CN(CCCSc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,CYABDBONZXVBIX,CYABDBONZXVBIX-UHFFFAOYSA-N,"InChI=1S/C26H29NO2S/c28-26-19-27(15-7-17-30-24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)29-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:27,12,26,28,11,13,6,25,29,10,14,20,19,16,5,15,7,30,3,23,24,17,21,9,18,2,4,1,22,8/E:(3,4)(5,6)(8,9)(10,11)/rA:30OCCNCCCSCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-CYCNWRDJEDKKSO_on_P41594_WT,Low,ChEMBL30,CHEMBL273024,Cc1cn2cc(C)nc(C#Cc3ccc(C#N)cc3)c2c1,CYCNWRDJEDKKSO,CYCNWRDJEDKKSO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-13-9-18-17(20-14(2)12-21(18)11-13)8-7-15-3-5-16(10-19)6-4-15/h3-6,9,11-12H,1-2H3","""AuxInfo=1/0/N:1,7,13,19,14,18,11,10,21,16,3,5,2,6,12,15,9,20,17,8,4/E:(3,4)(5,6)/rA:21CCCNCCCNCCCCCCCCNCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;t16;s15;s12d18;s4s9;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-CYEIHAOFOUDVTB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3927029,COC1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,CYEIHAOFOUDVTB,CYEIHAOFOUDVTB-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c1-28-17-8-9-26(13-17)12-14-2-7-18-19(15-3-5-16(23)6-4-15)11-21(22(24)27)25-20(18)10-14/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,24,27)","""AuxInfo=1/1/N:1,9,14,19,15,18,10,4,5,27,20,7,28,8,13,16,3,11,12,26,21,22,17,23,25,6,24,2/E:(3,4)(5,6)/rA:28COCCCNCCCCCCCCCCFCCCCCNONCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-CYEVYHYUSDSIOH_on_Q14416_WT,High,ChEMBL30,CHEMBL3337517,N#Cc1c(N2CCC(c3ccc(Cl)cc3)CC2)ccn(CC2CC2)c1=O,CYEVYHYUSDSIOH,CYEVYHYUSDSIOH-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2","""AuxInfo=1/0/N:23,24,10,15,11,14,7,16,18,6,17,19,2,21,22,9,8,12,3,4,25,13,1,5,20,26/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:26NCCCNCCCCCCCClCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;s4;d18;s19;s20;s21;s22;s22s23;s3s20;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-CYHMZHADXUXTFF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3945590,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1F,CYHMZHADXUXTFF,CYHMZHADXUXTFF-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O2/c1-14-27-12-16(13-28-14)4-3-15-5-7-18-19(11-22(24(26)30)29-21(18)9-15)17-6-8-23(31-2)20(25)10-17/h5-13H,3-4H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:25,1,19,20,17,5,16,4,28,29,8,22,27,24,18,21,6,15,7,30,14,9,3,10,31,11,23,26,13,12,2/E:(12,13)(27,28)/rA:31COCCCCCCCCNONCCCCCCCCCNCCNCCCCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s3d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-CYJRVSOLVYLORV_on_O15399_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_O60391_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_Q05586_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_Q12879_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_Q13224_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYJRVSOLVYLORV_on_Q14957_WT,Low,ChEMBL30,CHEMBL41460,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C,CYJRVSOLVYLORV,CYJRVSOLVYLORV-UHFFFAOYSA-N,"InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,3,2,16,4,5,12,9,7,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-CYLDZWCKBLDHCY_on_Q14833_WT,High,ChEMBL30,CHEMBL1922727,O=C(COc1c(Br)cccc1)c1ncccc1,CYLDZWCKBLDHCY,CYLDZWCKBLDHCY-UHFFFAOYSA-N,"InChI=1S/C13H10BrNO2/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11/h1-8H,9H2","""AuxInfo=1/0/N:9,10,16,15,8,17,11,14,3,6,12,2,5,7,13,1,4/rA:17OCCOCCBrCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925517,PMID:22030026,2011.0,PMID:22030026,2011,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-CYOSMBXYXQDIMD_on_Q14833_WT,Low,ChEMBL30,CHEMBL3941621,CN1C(=O)COc2c1ccc(Nc1c3ncccc3n[nH]1)c2,CYOSMBXYXQDIMD,CYOSMBXYXQDIMD-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-20-11-5-4-9(7-12(11)22-8-13(20)21)17-15-14-10(18-19-15)3-2-6-16-14/h2-7H,8H2,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,17,18,10,9,16,22,5,11,19,8,7,3,14,13,15,12,20,21,2,4,6/rA:22CNCOCOCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s3;s5;s6;s2d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-CYOZSBJDLJUVSN_on_Q14416_WT,High,ChEMBL30,CHEMBL2029793,CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O,CYOZSBJDLJUVSN,CYOZSBJDLJUVSN-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2/c1-15(2)9-11-23-12-10-19(20(13-22)21(23)24)17-5-7-18(8-6-17)25-14-16-3-4-16/h5-8,10,12,15-16H,3-4,9,11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,11,20,12,19,4,8,5,7,22,15,2,16,10,13,9,21,24,23,6,25,14/E:(1,2)(3,4)(5,6)(7,8)/rA:25CCCCCNCCCCCCCOCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s16s17;s13;s10d19;d9;s21;t22;s6s21;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-CYPHSPITDGFDMD_on_O15399_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.360;  5.190,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_O60391_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.360;  5.190,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.190;  5.360,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_Q05586_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.360;  5.190,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_Q12879_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.190;  5.360,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_Q13224_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.360;  5.190,5.275,0.085,0.085,2.0,5.275,0.085
-CYPHSPITDGFDMD_on_Q14957_WT,Low,ChEMBL30,CHEMBL130193,CN1CCC23CCCCC2C1Cc1c3cc(N)cc1,CYPHSPITDGFDMD,CYPHSPITDGFDMD-UHFFFAOYSA-N,"InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.190;  5.360,5.275,0.085,0.085,2.0,5.275,0.085
-CYQXUCKTLQMHBK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713764;CHEMBL2403582,O=C(N1CCC(F)(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,CYQXUCKTLQMHBK,CYQXUCKTLQMHBK-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3OS/c21-20(22)9-12-24(13-10-20)19(26)25-11-8-16-17(14-25)27-18(23-16)7-6-15-4-2-1-3-5-15/h1-5H,8-14H2","""AuxInfo=1/0/N:24,23,25,22,26,20,19,13,5,9,12,4,10,16,21,14,15,18,2,6,7,8,27,3,11,1,17/E:(2,3)(4,5)(9,10)(12,13)(21,22)/rA:27OCNCCCFFCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s6;s6;s3s9;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;t19;s20;d21;s22;d23;s24;s21d25;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  7.143;  7.140,7.141,0.002,0.002,2.0,7.141,0.002
-CYRRFMWAUYNSJD_on_P41594_WT,Medium,ChEMBL30,CHEMBL186573,c1cnc(-c2nn(-c3cc(-c4ccncc4)ccc3)nn2)cc1,CYRRFMWAUYNSJD,CYRRFMWAUYNSJD-UHFFFAOYSA-N,InChI=1S/C17H12N6/c1-2-9-19-16(6-1)17-20-22-23(21-17)15-5-3-4-14(12-15)13-7-10-18-11-8-13/h1-12H,"""AuxInfo=1/0/N:23,1,18,17,19,22,12,16,2,13,15,9,11,10,8,4,5,14,3,21,6,20,7/E:(7,8)(10,11)/rA:23CCNCCNNCCCCCCNCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;s7;s5d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-CYSBBMJJGKVDCJ_on_P41594_WT,High,ExCAPE-DB,53323728,Oc1c2ccc(C#Cc3ccccc3)cc2c[nH]1,CYSBBMJJGKVDCJ,CYSBBMJJGKVDCJ-UHFFFAOYSA-N,"InChI=1S/C16H11NO/c18-16-15-9-8-13(10-14(15)11-17-16)7-6-12-4-2-1-3-5-12/h1-5,8-11,17-18H","""AuxInfo=1/0/N:12,11,13,10,14,8,7,5,4,15,17,9,6,16,3,2,18,1/E:(2,3)(4,5)/rA:18OCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;d6;s3s15;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858,PubChemAID:579858,2011.0,PubChemAID:579858,2011,0,0,0,0,1,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-CZBUORLZFLNTGZ_on_Q13255_WT,High,ChEMBL30,CHEMBL3330824,COc1ccc(-n2cnc3c(scc3-c3cc(C)ccc3)c2=O)cc1,CZBUORLZFLNTGZ,CZBUORLZFLNTGZ-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2S/c1-13-4-3-5-14(10-13)17-11-25-19-18(17)21-12-22(20(19)23)15-6-8-16(24-2)9-7-15/h3-12H,1-2H3","""AuxInfo=1/0/N:18,1,20,19,21,5,24,4,25,16,13,8,17,15,6,3,14,10,11,22,9,7,23,2,12/E:(6,7)(8,9)/rA:25COCCCCNCNCCSCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s17;d17;s19;s15d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-CZCJLOLVVYAZOZ_on_O15399_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_O60391_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZCJLOLVVYAZOZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL295179,O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O,CZCJLOLVVYAZOZ,CZCJLOLVVYAZOZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,9,13,11,7,8,4,5,15,12,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s11;s7d11;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-CZDSZLZSVCCXGV_on_P31644_WT,High,ChEMBL30,CHEMBL3681547,Cc1cc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)ccc1,CZDSZLZSVCCXGV,CZDSZLZSVCCXGV-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-13(2)23-21(25)17-8-9-19(22-11-17)26-12-18-15(4)27-24-20(18)16-7-5-6-14(3)10-16/h5-11,13H,12H2,1-4H3,(H,23,25)","""AuxInfo=1/1/N:21,22,1,9,26,27,25,15,14,3,23,11,20,2,8,4,16,10,13,5,17,24,19,6,18,12,7/E:(1,2)/rA:27CCCCCNOCCCCOCCCCCONCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s5d8;s10;s11;s12;d13;s14;d15;s16;d17;s17;s19;s20;s20;s16;s13d23;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-CZEXVXQIAFWROO_on_Q05586_WT,Medium,ChEMBL30,CHEMBL114823,O=C1Cc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)N1,CZEXVXQIAFWROO,CZEXVXQIAFWROO-UHFFFAOYSA-N,"InChI=1S/C24H26N2O/c27-24-18-22-17-20(9-10-23(22)25-24)8-4-5-13-26-14-11-21(12-15-26)16-19-6-2-1-3-7-19/h1-3,6-7,9-10,17,21H,5,11-16,18H2,(H,25,27)","""AuxInfo=1/1/N:21,20,22,10,11,19,23,9,7,6,15,24,12,14,25,17,26,3,18,8,16,4,5,2,27,13,1/E:(2,3)(6,7)(11,12)(14,15)/rA:27OCCCCCCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.500;  4.280,5.39,1.11,1.11,2.0,5.39,1.11
-CZFHKLILBAYRNV_on_O00222_WT,High,ChEMBL30,CHEMBL4065012,CCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O,CZFHKLILBAYRNV,CZFHKLILBAYRNV-UHFFFAOYSA-N,"InChI=1S/C17H28N3O6P/c1-2-3-4-5-10-19-16(13-7-6-8-14(12-13)20(23)24)27(25,26)11-9-15(18)17(21)22/h6-8,12,15-16,19H,2-5,9-11,18H2,1H3,(H,21,22)(H,25,26)","""AuxInfo=1/1/N:1,2,3,4,5,11,10,12,22,6,21,17,9,13,23,8,25,24,7,14,26,27,15,16,19,20,18/E:(21,22)(23,24)(25,26)/CRV:20.5/rA:27CCCCCCNCCCCCCN+OO-CPOOCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s8;d18;s18;s18;s21;s22;s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-CZFHKLILBAYRNV_on_Q14833_WT,High,ChEMBL30,CHEMBL4065012,CCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O,CZFHKLILBAYRNV,CZFHKLILBAYRNV-UHFFFAOYSA-N,"InChI=1S/C17H28N3O6P/c1-2-3-4-5-10-19-16(13-7-6-8-14(12-13)20(23)24)27(25,26)11-9-15(18)17(21)22/h6-8,12,15-16,19H,2-5,9-11,18H2,1H3,(H,21,22)(H,25,26)","""AuxInfo=1/1/N:1,2,3,4,5,11,10,12,22,6,21,17,9,13,23,8,25,24,7,14,26,27,15,16,19,20,18/E:(21,22)(23,24)(25,26)/CRV:20.5/rA:27CCCCCCNCCCCCCN+OO-CPOOCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s8;d18;s18;s18;s21;s22;s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-CZIBHYWYOVBRJX_on_Q13224_WT,High,ChEMBL30,CHEMBL3357789,c1ccc(N2CCN(C3CCc4c(cccc4)CC3)CC2)cc1,CZIBHYWYOVBRJX,CZIBHYWYOVBRJX-UHFFFAOYSA-N,"InChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-14-16-23(17-15-22)21-12-10-18-6-4-5-7-19(18)11-13-21/h1-9,21H,10-17H2","""AuxInfo=1/0/N:1,2,23,15,16,14,17,3,22,18,11,19,10,6,21,7,20,13,12,4,9,5,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:23CCCCNCCNCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s13;s9s18;s8;s5s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-CZRBQYYJVSDHMY_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL219114;16109388,O=C(OCCc1ccccc1)N1CCC(CNc2ncccn2)CC1,CZRBQYYJVSDHMY,CZRBQYYJVSDHMY-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c24-19(25-14-9-16-5-2-1-3-6-16)23-12-7-17(8-13-23)15-22-18-20-10-4-11-21-18/h1-6,10-11,17H,7-9,12-15H2,(H,20,21,22)","""AuxInfo=1/1/N:9,8,10,21,7,11,14,24,5,20,22,13,25,4,16,6,15,18,2,19,23,17,12,1,3/E:(2,3)(5,6)(7,8)(10,11)(12,13)(20,21)/rA:25OCOCCCCCCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  6.640;  6.644,6.642,0.002,0.002,2.0,6.642,0.002
-CZRZPVLQPNBJGL_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798757,CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1,CZRZPVLQPNBJGL,CZRZPVLQPNBJGL-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9H,4,10H2,1-3H3","""AuxInfo=1/0/N:1,12,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,13,8,16/E:(5,6)(7,8)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;d11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-CZRZPVLQPNBJGL_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798757,CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1,CZRZPVLQPNBJGL,CZRZPVLQPNBJGL-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9H,4,10H2,1-3H3","""AuxInfo=1/0/N:1,12,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,13,8,16/E:(5,6)(7,8)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;d11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-CZWPQBKQWPIDLE_on_P18507_WT,Low,ChEMBL30,CHEMBL190255,CCCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,CZWPQBKQWPIDLE,CZWPQBKQWPIDLE-UHFFFAOYSA-N,"InChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,20,25,21,24,16,17,3,13,8,19,22,14,11,7,10,18,5,23,15,12,26,9,6,4/E:(3,4)(5,6)/rA:26CCCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s9;s18;d19;s20;d21;s22;s22;s19d24;s7d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-CZWPQBKQWPIDLE_on_P47869_WT,Low,ChEMBL30,CHEMBL190255,CCCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,CZWPQBKQWPIDLE,CZWPQBKQWPIDLE-UHFFFAOYSA-N,"InChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,20,25,21,24,16,17,3,13,8,19,22,14,11,7,10,18,5,23,15,12,26,9,6,4/E:(3,4)(5,6)/rA:26CCCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s9;s18;d19;s20;d21;s22;s22;s19d24;s7d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-CZWPQBKQWPIDLE_on_P47870_WT,Low,ChEMBL30,CHEMBL190255,CCCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,CZWPQBKQWPIDLE,CZWPQBKQWPIDLE-UHFFFAOYSA-N,"InChI=1S/C19H15BrCl2N2O2/c1-2-9-26-19(25)16-11-24(17-8-7-14(21)10-15(17)22)18(23-16)12-3-5-13(20)6-4-12/h3-8,10-11H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,20,25,21,24,16,17,3,13,8,19,22,14,11,7,10,18,5,23,15,12,26,9,6,4/E:(3,4)(5,6)/rA:26CCCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s9;s18;d19;s20;d21;s22;s22;s19d24;s7d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-CZWZEVDFUOOIGH_on_P41594_WT,High,ChEMBL30,CHEMBL2338594,Cc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1,CZWZEVDFUOOIGH,CZWZEVDFUOOIGH-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2/c1-14-6-4-7-15(12-14)19(24)22-16-8-5-9-17(13-16)23-20(25)18-10-2-3-11-21-18/h2-4,6-7,10-12,16-17H,5,8-9,13H2,1H3,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:1,22,21,4,12,3,5,11,13,23,20,25,24,2,6,10,14,18,7,16,19,9,15,8,17/rA:25CCCCCCCONCCCCCNCOCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-CZYSQPHLQGQERK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,76335252;CHEMBL3086715;CHEMBL3086715;CHEMBL3086716,COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCC21,CZYSQPHLQGQERK,CZYSQPHLQGQERK-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)9-10-19(22)11-12-20(18(21)23-2)17-8-4-7-16(17)19/h3,5-6,13,16-17,22H,4,7-8,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,14,21,15,13,20,22,11,10,7,6,18,16,12,19,23,3,8,5,4,9,2/rA:23COCONCCCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s8;t10;s11;d12;s13;d14;s15;s16;s12d16;s8;s19;s20;s21;s5s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425;CHEMBL3089425;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886;PMID:24125886;PMID:24125886,2014;2013;2013;2013,0;1;1;1,0,0,0,1;0;0;0,,=,  6.724;  7.290;  7.550;  6.720,7.071000000000001,0.361,0.20800000000000002,4.0,7.007000000000001,0.285
-DABKOAXUSJASHF_on_P41594_WT,High,ChEMBL30,CHEMBL3702394,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4CN(C)C)C3=C2)c1,DABKOAXUSJASHF,DABKOAXUSJASHF-UHFFFAOYSA-N,"InChI=1S/C23H25N3O2/c1-25(2)15-17-7-5-9-20-19(17)10-11-26-22(20)13-21(24-14-23(26)27)16-6-4-8-18(12-16)28-3/h4-9,12-13H,10-11,14-15H2,1-3H3","""AuxInfo=1/0/N:24,25,1,5,19,6,20,4,18,15,14,28,27,10,22,7,21,3,16,17,8,26,11,9,23,13,12,2/E:(1,2)/rA:28COCCCCCCNCCONCCCCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s23;s13s17;s8w?26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-DABKOAXUSJASHF_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702394,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4CN(C)C)C3=C2)c1,DABKOAXUSJASHF,DABKOAXUSJASHF-UHFFFAOYSA-N,"InChI=1S/C23H25N3O2/c1-25(2)15-17-7-5-9-20-19(17)10-11-26-22(20)13-21(24-14-23(26)27)16-6-4-8-18(12-16)28-3/h4-9,12-13H,10-11,14-15H2,1-3H3","""AuxInfo=1/0/N:24,25,1,5,19,6,20,4,18,15,14,28,27,10,22,7,21,3,16,17,8,26,11,9,23,13,12,2/E:(1,2)/rA:28COCCCCCCNCCONCCCCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s23;s13s17;s8w?26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DAFOWPWHTVPPKQ_on_P41594_WT,High,ChEMBL30,CHEMBL3702422,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncco4)C3=C2)cn1,DAFOWPWHTVPPKQ,DAFOWPWHTVPPKQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-14-12-25(13-24-14)19-10-18-16-4-3-5-17(21-22-7-9-28-21)15(16)6-8-26(18)20(27)11-23-19/h3-5,7,9-10,12-13H,2,6,8,11H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,13,22,12,23,26,8,4,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCNCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-DAFOWPWHTVPPKQ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702422,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncco4)C3=C2)cn1,DAFOWPWHTVPPKQ,DAFOWPWHTVPPKQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-14-12-25(13-24-14)19-10-18-16-4-3-5-17(21-22-7-9-28-21)15(16)6-8-26(18)20(27)11-23-19/h3-5,7,9-10,12-13H,2,6,8,11H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,13,22,12,23,26,8,4,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCNCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-DAFZNNUZXVOGHF_on_P41594_WT,High,ChEMBL30,CHEMBL1808869,Cc1cc(C(=O)N2CCCC2c2ccc(-c3cc(Cl)ccc3)nc2)no1,DAFZNNUZXVOGHF,DAFZNNUZXVOGHF-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2/c1-13-10-18(23-26-13)20(25)24-9-3-6-19(24)15-7-8-17(22-12-15)14-4-2-5-16(21)11-14/h2,4-5,7-8,10-12,19H,3,6,9H2,1H3","""AuxInfo=1/0/N:1,21,9,22,20,10,13,14,8,3,17,24,2,16,12,18,15,4,11,5,19,23,25,7,6,26/rA:26CCCCCONCCCCCCCCCCCClCCCNCNO/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;d14;s15;d16;s17;s18;d18;s20;s16d21;s15;s12d23;d4;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  6.270;  7.390,6.83,0.56,0.56,2.0,6.83,0.56
-DAGKBVYRNZNXPI_on_P41594_WT,High,ChEMBL30,CHEMBL2071576,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccccc1F,DAGKBVYRNZNXPI,DAGKBVYRNZNXPI-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-13-5-3-4-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-7-2-1-6-14(15)20/h1-8,12H,9-10H2","""AuxInfo=1/0/N:22,21,10,9,11,23,20,14,3,17,8,4,12,24,19,2,7,5,13,25,6,15,18,1,16/rA:25OCCCCNCCCCCCClCNOCNCCCCCCF/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-DAIFDJZPCQGFRZ_on_P41594_WT,Low,ChEMBL30,CHEMBL2408584,O=C1CCCc2c1cnc(Nc1c(Cl)cccc1)n2,DAIFDJZPCQGFRZ,DAIFDJZPCQGFRZ-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O/c15-10-4-1-2-5-12(10)18-14-16-8-9-11(17-14)6-3-7-13(9)19/h1-2,4-5,8H,3,6-7H2,(H,16,17,18)","""AuxInfo=1/1/N:16,17,4,15,18,5,3,8,7,13,6,12,2,10,14,9,19,11,1/rA:19OCCCCCCCNCNCCClCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;d12;s13;s13;d15;s16;s12d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DAIGYVORYSPSKC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1779884;54587488,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccc1Cl)cc2,DAIGYVORYSPSKC,DAIGYVORYSPSKC-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O/c23-20-9-5-4-6-16(20)10-11-17-12-13-19-21(24-17)14-15-25(22(19)26)18-7-2-1-3-8-18/h4-6,9,12-13,18H,1-3,7-8,14-15H2","""AuxInfo=1/0/N:11,10,12,20,21,19,9,13,22,17,16,25,26,5,6,18,15,8,3,23,4,2,24,14,7,1/E:(2,3)(7,8)/rA:26OCCCCCNCCCCCCNCCCCCCCCCClCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s23;s15;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PubChemAID:598492,2011;2012,0,1;0,0,0,0;1,,=,  6.030;  6.034,6.032,0.002,0.002,2.0,6.032,0.002
-DAJRUXSXBYSSKM_on_P31644_WT,High,ChEMBL30,CHEMBL3681593,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccncn2)no1,DAJRUXSXBYSSKM,DAJRUXSXBYSSKM-UHFFFAOYSA-N,"InChI=1S/C19H19N5O4/c1-13-15(18(23-28-13)16-4-5-20-12-22-16)11-27-17-3-2-14(10-21-17)19(25)24-6-8-26-9-7-24/h2-5,10,12H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,8,7,22,23,13,17,14,16,18,4,25,2,9,3,21,6,20,10,24,19,26,27,12,11,15,5,28/E:(6,7)(8,9)/rA:28CCCCOCCCCCONCCOCCCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-DANIDPUWXPDMNG_on_P14867_WT,Low,ChEMBL30,CHEMBL514974,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(C(=O)OCC)ncn-21,DANIDPUWXPDMNG,DANIDPUWXPDMNG-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O2/c1-3-14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)23)24-12-19-21(22(27)28-4-2)25-13-26(18)19/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,25,2,24,12,13,11,14,4,5,8,18,27,3,10,7,15,6,19,9,20,21,16,17,26,28,22,23/rA:28CCCCCCCCCCCCCCCFNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s21;s23;s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-DANIDPUWXPDMNG_on_P18507_WT,Low,ChEMBL30,CHEMBL514974,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(C(=O)OCC)ncn-21,DANIDPUWXPDMNG,DANIDPUWXPDMNG-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O2/c1-3-14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)23)24-12-19-21(22(27)28-4-2)25-13-26(18)19/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,25,2,24,12,13,11,14,4,5,8,18,27,3,10,7,15,6,19,9,20,21,16,17,26,28,22,23/rA:28CCCCCCCCCCCCCCCFNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s21;s23;s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DANIDPUWXPDMNG_on_P28472_WT,Low,ChEMBL30,CHEMBL514974,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(C(=O)OCC)ncn-21,DANIDPUWXPDMNG,DANIDPUWXPDMNG-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O2/c1-3-14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)23)24-12-19-21(22(27)28-4-2)25-13-26(18)19/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,25,2,24,12,13,11,14,4,5,8,18,27,3,10,7,15,6,19,9,20,21,16,17,26,28,22,23/rA:28CCCCCCCCCCCCCCCFNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s21;s23;s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DANIDPUWXPDMNG_on_P34903_WT,Low,ChEMBL30,CHEMBL514974,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(C(=O)OCC)ncn-21,DANIDPUWXPDMNG,DANIDPUWXPDMNG-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O2/c1-3-14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)23)24-12-19-21(22(27)28-4-2)25-13-26(18)19/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,25,2,24,12,13,11,14,4,5,8,18,27,3,10,7,15,6,19,9,20,21,16,17,26,28,22,23/rA:28CCCCCCCCCCCCCCCFNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s21;s23;s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DAPUEJFIPORGIT_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771681,Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCCC3)n2)ccc1,DAPUEJFIPORGIT,DAPUEJFIPORGIT-UHFFFAOYSA-N,"InChI=1S/C20H25N3O2/c1-14-7-6-10-16(13-14)18-21-19(25-22-18)17-11-4-5-12-23(17)20(24)15-8-2-3-9-15/h6-7,10,13,15,17H,2-5,8-9,11-12H2,1H3","""AuxInfo=1/0/N:1,19,20,11,12,24,25,18,21,23,10,13,3,2,17,4,9,5,8,15,22,6,14,16,7/E:(2,3)(8,9)/rA:25CCCCCNOCCCCCCNCOCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;s17;s18;s19;s17s20;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772557,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-DATCQVJMADOCRS_on_O00591_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_O14764_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P14867_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P18505_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P18507_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P28472_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P31644_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P34903_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P47869_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P47870_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P48169_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_P78334_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_Q16445_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DATCQVJMADOCRS_on_Q99928_WT,Low,ChEMBL30,CHEMBL76918,O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,DATCQVJMADOCRS,DATCQVJMADOCRS-UHFFFAOYSA-N,"InChI=1S/C15H10N4O/c20-8-10-7-17-13-4-3-11(6-12(10)13)19-9-18-14-2-1-5-16-15(14)19/h1-9,17H","""AuxInfo=1/0/N:15,14,19,20,16,8,4,2,11,3,9,7,6,13,18,17,5,12,10,1/rA:20OCCCNCCCCNCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s10s13d17;s9;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-DAYQXLQRTQODQF_on_O00591_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_O14764_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P14867_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P18505_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P18507_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P28472_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P31644_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P34903_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P47869_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P47870_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P48169_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_P78334_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_Q16445_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAYQXLQRTQODQF_on_Q99928_WT,Low,ChEMBL30,CHEMBL56284,O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2,DAYQXLQRTQODQF,DAYQXLQRTQODQF-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DAZKRLPAKUGUDF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3930344,Cc1c(S(=O)(=O)Cc2ccc(F)c(F)c2)sc(NC(=O)c2ccccn2)n1,DAZKRLPAKUGUDF,DAZKRLPAKUGUDF-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S2/c1-10-16(27(24,25)9-11-5-6-12(18)13(19)8-11)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,9,10,25,15,7,2,8,11,13,21,19,3,17,12,14,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCFCFCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s13;s8d13;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-DBDYSIWJXHLNQQ_on_Q14416_WT,High,ChEMBL30,CHEMBL2029811,Cc1c(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cccn1,DBDYSIWJXHLNQQ,DBDYSIWJXHLNQQ-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-15-21(3-2-11-24-15)27-18-8-6-17(7-9-18)19-10-12-25(14-16-4-5-16)22(26)20(19)13-23/h2-3,6-12,16H,4-5,14H2,1H3","""AuxInfo=1/0/N:1,25,24,18,19,7,22,6,23,21,26,20,11,16,2,17,8,5,9,10,3,13,12,27,15,14,4/E:(4,5)(6,7)(8,9)/rA:27CCCOCCCCCCCNCONCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;t11;s10;d13;s13;s15;s16;s17;s17s18;s15;s9d20;s8;s5d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-DBHDWGUSKCKHSY_on_Q13255_WT,High,ChEMBL30,CHEMBL2397351;CHEMBL2397350;CHEMBL2397351;CHEMBL2397350,CC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1c1ccccn1,DBHDWGUSKCKHSY,DBHDWGUSKCKHSY-UHFFFAOYSA-N,"InChI=1S/C21H29N3O/c1-15-14-23(6-7-24(15)19-4-2-3-5-22-19)20(25)21-11-16-8-17(12-21)10-18(9-16)13-21/h2-5,15-18H,6-14H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,17,18,10,12,14,16,8,15,3,2,11,9,13,20,5,7,25,4,19,6/E:(8,9,10)(11,12,13)(16,17,18)/rA:25CCCNCOCCCCCCCCCCCCNCCCCCN/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;s7s13;s7s11;s4;s17;s2s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.780;  6.010;  6.780;  6.000,6.393,0.38799999999999996,0.22399999999999998,4.0,6.395,0.385
-DBISXWCOHGUFSF_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836562;CHEMBL1830707,c1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc1,DBISXWCOHGUFSF,DBISXWCOHGUFSF-UHFFFAOYSA-N,"InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)","""AuxInfo=1/1/N:2,1,11,12,10,3,20,15,14,13,9,4,8,6,19,16,5,7,17,18/rA:20CCCCNCNCCCCCCCCNNSNC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  8.046;  8.050,8.048,0.002,0.002,2.0,8.048,0.002
-DBIYLZWKGNFMRW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3938666,O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1,DBIYLZWKGNFMRW,DBIYLZWKGNFMRW-UHFFFAOYSA-N,"InChI=1S/C20H17ClFN3O2/c21-19-17(13-27-16-4-2-1-3-5-16)23-25-11-10-24(12-18(19)25)20(26)14-6-8-15(22)9-7-14/h1-9H,10-13H2","""AuxInfo=1/0/N:21,20,22,19,23,4,9,5,8,11,12,27,16,3,6,18,15,26,24,2,25,7,14,10,13,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:27OCCCCCFCCNCCNNCCOCCCCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s24;s13d24;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-DBOUFWRXCYZPIJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL593234,CS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1,DBOUFWRXCYZPIJ,DBOUFWRXCYZPIJ-UHFFFAOYSA-N,"InChI=1S/C19H23Cl2N3O3S/c1-28(26,27)24-15-6-3-14(4-7-15)5-10-19(25)23-12-2-11-22-16-8-9-17(20)18(21)13-16/h3-4,6-9,13,22,24H,2,5,10-12H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,16,8,27,10,7,28,20,21,11,17,15,26,9,6,19,22,24,12,23,25,18,14,5,13,3,4,2/E:(3,4)(6,7)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONCCCNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-DBOUFWRXCYZPIJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL593234,CS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1,DBOUFWRXCYZPIJ,DBOUFWRXCYZPIJ-UHFFFAOYSA-N,"InChI=1S/C19H23Cl2N3O3S/c1-28(26,27)24-15-6-3-14(4-7-15)5-10-19(25)23-12-2-11-22-16-8-9-17(20)18(21)13-16/h3-4,6-9,13,22,24H,2,5,10-12H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,16,8,27,10,7,28,20,21,11,17,15,26,9,6,19,22,24,12,23,25,18,14,5,13,3,4,2/E:(3,4)(6,7)(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONCCCNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-DBPRZHYSXRZSHX_on_P31644_WT,High,ChEMBL30,CHEMBL3676553,Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(F)cc2)no1,DBPRZHYSXRZSHX,DBPRZHYSXRZSHX-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O4/c1-10-14(9-23-15-7-4-12(8-19-15)17(21)22)16(20-24-10)11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,17,22,8,18,21,7,13,4,2,16,9,19,3,6,15,10,20,14,23,11,12,5,24/E:(2,3)(5,6)(21,22)/rA:24CCCCOCCCCCOOCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s19;s16d21;d15;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-DBPZQEYKKFGMMD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760314,CNC1(c2c(Cl)cc(OC)cc2)CCCCC1=O,DBPZQEYKKFGMMD,DBPZQEYKKFGMMD-UHFFFAOYSA-N,"InChI=1S/C14H18ClNO2/c1-16-14(8-4-3-5-13(14)17)11-7-6-10(18-2)9-12(11)15/h6-7,9,16H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,10,15,14,16,11,12,13,7,8,4,5,17,3,6,2,18,9/rA:18CNCCCClCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s9;s8;s4d11;s3;s13;s14;s15;s3s16;d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764159;CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.700;  5.000,4.85,0.15,0.15,2.0,4.85,0.15
-DBPZQEYKKFGMMD_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760314,CNC1(c2c(Cl)cc(OC)cc2)CCCCC1=O,DBPZQEYKKFGMMD,DBPZQEYKKFGMMD-UHFFFAOYSA-N,"InChI=1S/C14H18ClNO2/c1-16-14(8-4-3-5-13(14)17)11-7-6-10(18-2)9-12(11)15/h6-7,9,16H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,10,15,14,16,11,12,13,7,8,4,5,17,3,6,2,18,9/rA:18CNCCCClCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s9;s8;s4d11;s3;s13;s14;s15;s3s16;d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DBPZQEYKKFGMMD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760314,CNC1(c2c(Cl)cc(OC)cc2)CCCCC1=O,DBPZQEYKKFGMMD,DBPZQEYKKFGMMD-UHFFFAOYSA-N,"InChI=1S/C14H18ClNO2/c1-16-14(8-4-3-5-13(14)17)11-7-6-10(18-2)9-12(11)15/h6-7,9,16H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,10,15,14,16,11,12,13,7,8,4,5,17,3,6,2,18,9/rA:18CNCCCClCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s9;s8;s4d11;s3;s13;s14;s15;s3s16;d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DBSHFABBWSZJLZ_on_O15399_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_O60391_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBSHFABBWSZJLZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL282003,Oc1c(O)nc2c(Cl)cc(Cl)cc2n1,DBSHFABBWSZJLZ,DBSHFABBWSZJLZ-UHFFFAOYSA-N,"InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:9,12,10,7,13,6,2,3,11,8,14,5,1,4/rA:14OCCONCCClCCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-DBUMITZHDMTTNX_on_P41594_WT,High,ChEMBL30,CHEMBL2205915,COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,DBUMITZHDMTTNX,DBUMITZHDMTTNX-UHFFFAOYSA-N,"InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)","""AuxInfo=1/1/N:1,18,19,5,25,4,26,21,8,17,6,3,14,10,11,15,13,23,20,22,9,16,7,24,2,12/E:(2,3)(4,5)(6,7)/rA:26COCCCCNCNCCSCCCNCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DBUMITZHDMTTNX_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205915;57559562,COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,DBUMITZHDMTTNX,DBUMITZHDMTTNX-UHFFFAOYSA-N,"InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)","""AuxInfo=1/1/N:1,18,19,5,25,4,26,21,8,17,6,3,14,10,11,15,13,23,20,22,9,16,7,24,2,12/E:(2,3)(4,5)(6,7)/rA:26COCCCCNCNCCSCCCNCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  8.220;  8.222,8.221,0.001,0.001,2.0,8.221,0.001
-DBVSZCQITXKFJF_on_Q14833_WT,High,ChEMBL30,CHEMBL4239644,CCn1nc(Cl)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,DBVSZCQITXKFJF,DBVSZCQITXKFJF-UHFFFAOYSA-N,"InChI=1S/C15H13ClN6/c1-2-22-12-6-5-9(8-10(12)14(16)21-22)18-15-13-11(19-20-15)4-3-7-17-13/h3-8H,2H2,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,2,17,18,10,9,16,22,11,7,19,8,14,5,13,6,15,12,20,21,4,3/rA:22CCNNCClCCCCCNCCNCCCCNNC/rB:s1;s2;s3;d4;s5;s5;s3d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-DBYCCKZCPWSDEM_on_O15399_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_O60391_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_Q05586_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_Q12879_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_Q13224_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBYCCKZCPWSDEM_on_Q14957_WT,Low,ChEMBL30,CHEMBL347514,CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1,DBYCCKZCPWSDEM,DBYCCKZCPWSDEM-UHFFFAOYSA-N,"InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3","""AuxInfo=1/0/N:1,10,6,7,20,19,12,5,8,11,14,3,2,13,17,15,18,16,9,4/E:(3,4)(8,9)/rA:20CCCNCCCCNCCCCCCClCClCC/rB:s1;s2;s3;s4;s5;s6;s4s7;s2;s9;s9;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DBZWHMUCRQSKKS_on_O15399_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747351;CHEMBL747349;CHEMBL747350,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.680;  7.160;  7.230,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_O60391_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747349;CHEMBL747350;CHEMBL747351,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.160;  7.230;  7.680,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747349;CHEMBL747351;CHEMBL747350,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.160;  7.680;  7.230,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747349;CHEMBL747350;CHEMBL747351,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.160;  7.230;  7.680,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747349;CHEMBL747350;CHEMBL747351,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.160;  7.230;  7.680,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747351;CHEMBL747350;CHEMBL747349,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.680;  7.230;  7.160,7.357,0.23,0.163,3.0,7.23,0.07
-DBZWHMUCRQSKKS_on_Q14957_WT,Low,ChEMBL30,CHEMBL1161135,CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O,DBZWHMUCRQSKKS,DBZWHMUCRQSKKS-UHFFFAOYSA-N,"InChI=1S/C82H137N25O33/c1-7-39(6)66(81(140)101-43(12-10-30-92-82(90)91)69(128)96-46(17-25-62(118)119)73(132)95-42(11-8-9-29-83)70(129)106-54(36-108)80(139)102-50(67(89)126)33-57(87)111)107-79(138)52(32-38(4)5)103-68(127)40(13-23-60(114)115)41(14-21-55(85)109)94-78(137)53(34-58(88)112)105-76(135)49(20-28-65(124)125)98-72(131)45(15-22-56(86)110)100-77(136)51(31-37(2)3)104-75(134)48(19-27-64(122)123)99-74(133)47(18-26-63(120)121)97-71(130)44(16-24-61(116)117)93-59(113)35-84/h37-54,66,108H,7-36,83-84H2,1-6H3,(H2,85,109)(H2,86,110)(H2,87,111)(H2,88,112)(H2,89,126)(H,93,113)(H,94,137)(H,95,132)(H,96,128)(H,97,130)(H,98,131)(H,99,133)(H,100,136)(H,101,140)(H,102,139)(H,103,127)(H,104,134)(H,105,135)(H,106,129)(H,107,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H4,90,91,92)","""AuxInfo=1/1/N:1,61,62,12,13,4,2,120,121,100,119,99,18,24,50,85,110,76,67,41,25,51,19,86,111,77,68,42,122,101,59,10,134,33,93,128,60,11,3,17,23,118,98,84,49,109,75,66,40,133,58,9,32,127,26,52,135,34,91,20,87,112,78,69,43,5,138,15,106,124,82,47,115,73,64,38,56,30,7,130,95,103,123,94,27,53,136,35,139,104,105,102,90,29,117,108,81,46,72,55,97,132,14,63,37,126,6,129,28,54,137,36,92,21,22,88,89,113,114,79,80,70,71,44,45,140,16,107,125,83,48,116,74,65,39,57,31,8,131,96/E:(2,3)(4,5)(90,91)(114,115)(116,117)(118,119)(120,121)(122,123)(124,125)/rA:140CCCCCNCOCCCCCNCOCCCCOOCCCCNONCOCCCNONCOCCCCOONCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCONCCCCNCNNCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;s19;d20;s20;s17;s23;s24;s25;s26;d26;s23;s29;d30;s30;s32;s33;s34;d34;s32;s37;d38;s38;s40;s41;s42;d43;s43;s40;s46;d47;s47;s49;s50;s51;s52;d52;s49;s55;d56;s56;s58;s59;s60;s60;s58;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s85;s86;d87;s87;s84;s90;d91;s91;s93;s5;d95;s95;s97;s98;s99;s100;s101;w?102;s103;s103;s98;d106;s106;s108;s109;s110;s111;d112;s112;s109;d115;s115;s117;s118;s119;s120;s121;s122;s118;d124;s124;s126;s127;s128;s127;d130;s130;s132;s133;s134;s135;d135;s133;s138;d138;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747351;CHEMBL747349;CHEMBL747350,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,=,  7.680;  7.160;  7.230,7.357,0.23,0.163,3.0,7.23,0.07
-DCAJZBGJLFGTLN_on_Q05586_WT,Medium,ChEMBL30,CHEMBL164054,O=C(O)c1c(CN2CC(=O)N(c3cc(Cl)ccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,DCAJZBGJLFGTLN,DCAJZBGJLFGTLN-UHFFFAOYSA-N,"InChI=1S/C19H12Cl3N3O4/c20-9-2-1-3-11(4-9)25-15(26)8-24(19(25)29)7-12-16-13(22)5-10(21)6-14(16)23-17(12)18(27)28/h1-6,23H,7-8H2,(H,27,28)","""AuxInfo=1/1/N:17,16,18,13,26,23,6,8,14,24,12,5,27,22,9,21,4,2,19,15,25,28,29,7,11,10,1,3,20/E:(27,28)/rA:29OCOCCCNCCONCCCClCCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;s7s11;d19;s5;d21;s22;d23;s24;s24;s21d26;s27;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-DCBAUCRPRDYNOG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3357784,COc1ccc2CCC(NCCCc3ccccc3)CCc2c1,DCBAUCRPRDYNOG,DCBAUCRPRDYNOG-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c1-23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,16,20,22H,5,8-10,12-13,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,12,15,19,13,7,21,5,8,20,4,11,23,14,6,22,9,3,10,2/E:(3,4)(6,7)/rA:23COCCCCCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s20;s6s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-DCBAUCRPRDYNOG_on_Q13224_WT,High,ChEMBL30,CHEMBL3357784,COc1ccc2CCC(NCCCc3ccccc3)CCc2c1,DCBAUCRPRDYNOG,DCBAUCRPRDYNOG-UHFFFAOYSA-N,"InChI=1S/C21H27NO/c1-23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,16,20,22H,5,8-10,12-13,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,12,15,19,13,7,21,5,8,20,4,11,23,14,6,22,9,3,10,2/E:(3,4)(6,7)/rA:23COCCCCCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s20;s6s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4261991;CHEMBL3737377,PMID:25458498,2014.0,PMID:30108812;PMID:26531150,2017;2015,0,0,0,1,0,,=,  7.960;  8.000,7.98,0.02,0.02,2.0,7.98,0.02
-DCEHNNNBACRVLV_on_P31644_WT,High,ChEMBL30,CHEMBL3681553;CHEMBL3681554,Cc1c(COc2ccc(C(=O)NC(C)CO)cn2)c(-c2ccc(Cl)cc2)no1,DCEHNNNBACRVLV,DCEHNNNBACRVLV-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:14,1,21,26,8,22,25,7,17,15,4,13,2,20,9,23,3,6,19,10,24,18,12,27,16,11,5,28/E:(3,4)(6,7)/rA:28CCCCOCCCCCONCCCOCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.100;  9.300,9.2,0.1,0.1,2.0,9.2,0.1
-DCKLKZMLZRTYHW_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3910945,COc1ccc(CS(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1,DCKLKZMLZRTYHW,DCKLKZMLZRTYHW-UHFFFAOYSA-N,"InChI=1S/C18H17N3O4S2/c1-12-17(27(23,24)11-13-6-8-14(25-2)9-7-13)26-18(20-12)21-16(22)15-5-3-4-10-19-15/h3-10H,11H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:13,1,21,22,20,5,26,4,27,23,7,12,6,3,19,17,11,15,24,14,16,18,9,10,2,25,8/E:(6,7)(8,9)(23,24)/CRV:27.6/rA:27COCCCCCSOOCCCNCNCOCCCCCNSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;d8;s8;d11;s12;s12;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s11s15;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-DCWVLTZRAKSVEY_on_O15399_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_O60391_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_Q05586_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_Q12879_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_Q13224_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCWVLTZRAKSVEY_on_Q14957_WT,Low,ChEMBL30,CHEMBL40755,Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,DCWVLTZRAKSVEY,DCWVLTZRAKSVEY-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-12-21-10-9-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,9,8,14,6,13,17,15,5,4,12,10,2,7,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCNCCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-DCYFLSDRPJLIEY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3955285,CC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1O,DCYFLSDRPJLIEY,DCYFLSDRPJLIEY-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-19(2)16(22)13-21(18(23)24-19)17-11-10-15(12-20-17)9-8-14-6-4-3-5-7-14/h3-7,10-12,16,22H,13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,10,9,20,22,14,11,23,8,5,2,21,7,24,6,4/E:(1,2)(4,5)(6,7)/rA:24CCCOCONCCCCCCCCCCCCCNCCO/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;s2s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-DCYHZKLIFFCGKM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3900822,CC1Oc2c(cc(Nc3c4ncccc4n[nH]3)cc2)N(C)C1=O,DCYHZKLIFFCGKM,DCYHZKLIFFCGKM-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-9-16(22)21(2)12-8-10(5-6-13(12)23-9)18-15-14-11(19-20-15)4-3-7-17-14/h3-9H,1-2H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,21,13,14,18,19,12,6,2,7,15,5,4,10,9,22,11,8,16,17,20,23,3/rA:23CCOCCCCNCCNCCCCNNCCNCCO/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s7;s4d18;s5;s20;s2s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-DCYOTMCWHBEKAQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3628112,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)occ1,DCYOTMCWHBEKAQ,DCYOTMCWHBEKAQ-UHFFFAOYSA-N,"InChI=1S/C20H12Cl2N2O4/c1-10-6-7-28-17(10)18(25)23-12-3-5-16(15(22)9-12)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,28,27,16,25,2,17,7,14,15,23,10,3,4,12,21,18,24,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCClCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.090;  7.090,7.09,0.0,0.0,2.0,7.09,0.0
-DCYOTMCWHBEKAQ_on_Q14833_WT,High,ChEMBL30,CHEMBL3628112,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)occ1,DCYOTMCWHBEKAQ,DCYOTMCWHBEKAQ-UHFFFAOYSA-N,"InChI=1S/C20H12Cl2N2O4/c1-10-6-7-28-17(10)18(25)23-12-3-5-16(15(22)9-12)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,28,27,16,25,2,17,7,14,15,23,10,3,4,12,21,18,24,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCClCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  5.640;  5.650,5.645,0.005,0.005,2.0,5.645,0.005
-DCYVQLJHWVFJEL_on_P41594_WT,Medium,ChEMBL30,CHEMBL4112285,O=C1OC2CCCC2N1c1ccc(C#Cc2ccccc2)cn1,DCYVQLJHWVFJEL,DCYVQLJHWVFJEL-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-19-21(16-7-4-8-17(16)23-19)18-12-11-15(13-20-18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,16-17H,4,7-8H2","""AuxInfo=1/0/N:19,18,20,6,17,21,7,5,15,14,12,11,22,16,13,8,4,10,2,23,9,1,3/E:(2,3)(5,6)/rA:23OCOCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-DDBDGROTEFNXLP_on_Q14416_WT,Low,ChEMBL30,CHEMBL4107154,Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)n1,DDBDGROTEFNXLP,DDBDGROTEFNXLP-UHFFFAOYSA-N,"InChI=1S/C20H20F3N5O2S/c1-10-7-28(9-17(30-10)20(21,22)23)8-12-3-4-13-14(19-25-11(2)27-31-19)6-16(18(24)29)26-15(13)5-12/h3-6,10,17H,7-9H2,1-2H3,(H2,24,29)","""AuxInfo=1/1/N:20,1,28,29,14,7,18,16,27,19,2,15,30,6,13,8,22,9,5,23,24,25,26,10,31,12,3,17,11,21,4/E:(21,22,23)/rA:31CCNSCCCCCNONCCCCNCCCOCCFFFCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d9;d8;s12;d13;s14;s15;s16;s17;s18;s19;s19;s21;s22;s23;s23;s23;s17s22;d15;s28;s6s13d29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DDBNDNXQPMWNBL_on_P14867_WT,Low,ChEMBL30,CHEMBL360262,c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1,DDBNDNXQPMWNBL,DDBNDNXQPMWNBL-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)28-13-17-7-4-12-27-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,18,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCONNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-DDBNDNXQPMWNBL_on_P31644_WT,Low,ChEMBL30,CHEMBL360262,c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1,DDBNDNXQPMWNBL,DDBNDNXQPMWNBL-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)28-13-17-7-4-12-27-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,18,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCONNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-DDBNDNXQPMWNBL_on_P34903_WT,Low,ChEMBL30,CHEMBL360262,c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1,DDBNDNXQPMWNBL,DDBNDNXQPMWNBL-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)28-13-17-7-4-12-27-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,18,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCONNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-DDBNDNXQPMWNBL_on_P47869_WT,Low,ChEMBL30,CHEMBL360262,c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1,DDBNDNXQPMWNBL,DDBNDNXQPMWNBL-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)28-13-17-7-4-12-27-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,18,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCONNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-DDCGVRBUYFJQAK_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,71455906;CHEMBL2205910,CCCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cn1,DDCGVRBUYFJQAK,DDCGVRBUYFJQAK-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2S/c1-3-8-19-16-13-14-15(26-17(13)21-9-20-16)18(24)23(10-22-14)11-4-6-12(25-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,3,7,25,17,20,10,11,12,5,9,14,4,6,8,26,16,15,21,13/E:(4,5)(6,7)/rA:26CCCNCNCNCCCCSCONCCCCOCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s21;s20;s17d23;s16;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-DDCOGKLVSJLMTB_on_P14867_WT,Low,ChEMBL30,CHEMBL198816,N#Cc1cccc(-c2nncc(-c3ccccc3)c2)c1,DDCOGKLVSJLMTB,DDCOGKLVSJLMTB-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)17-10-16(12-19-20-17)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:16,15,17,5,4,14,18,6,20,19,2,11,3,13,7,12,8,1,10,9/E:(2,3)(6,7)/rA:20NCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,<,  6.177,6.1770000000000005,0.0,0.0,1.0,6.1770000000000005,0.0
-DDCOGKLVSJLMTB_on_P31644_WT,Low,ChEMBL30,CHEMBL198816,N#Cc1cccc(-c2nncc(-c3ccccc3)c2)c1,DDCOGKLVSJLMTB,DDCOGKLVSJLMTB-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)17-10-16(12-19-20-17)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:16,15,17,5,4,14,18,6,20,19,2,11,3,13,7,12,8,1,10,9/E:(2,3)(6,7)/rA:20NCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,<,  6.177,6.1770000000000005,0.0,0.0,1.0,6.1770000000000005,0.0
-DDCOGKLVSJLMTB_on_P34903_WT,Low,ChEMBL30,CHEMBL198816,N#Cc1cccc(-c2nncc(-c3ccccc3)c2)c1,DDCOGKLVSJLMTB,DDCOGKLVSJLMTB-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)17-10-16(12-19-20-17)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:16,15,17,5,4,14,18,6,20,19,2,11,3,13,7,12,8,1,10,9/E:(2,3)(6,7)/rA:20NCCCCCCCNNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,<,  6.177,6.1770000000000005,0.0,0.0,1.0,6.1770000000000005,0.0
-DDFIGBGCWDWQQR_on_P41594_WT,Low,ChEMBL30,CHEMBL406215,NC1(C(=O)O)CC(C(=O)O)N(CCCc2ccccc2)C1,DDFIGBGCWDWQQR,DDFIGBGCWDWQQR-UHFFFAOYSA-N,"InChI=1S/C15H20N2O4/c16-15(14(20)21)9-12(13(18)19)17(10-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:18,17,19,13,16,20,14,12,6,21,15,7,8,3,2,1,11,9,10,4,5/E:(2,3)(5,6)(18,19)(20,21)/rA:21NCCOOCCCOONCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DDFIGBGCWDWQQR_on_Q13255_WT,Low,ChEMBL30,CHEMBL406215,NC1(C(=O)O)CC(C(=O)O)N(CCCc2ccccc2)C1,DDFIGBGCWDWQQR,DDFIGBGCWDWQQR-UHFFFAOYSA-N,"InChI=1S/C15H20N2O4/c16-15(14(20)21)9-12(13(18)19)17(10-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:18,17,19,13,16,20,14,12,6,21,15,7,8,3,2,1,11,9,10,4,5/E:(2,3)(5,6)(18,19)(20,21)/rA:21NCCOOCCCOONCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DDFIGBGCWDWQQR_on_Q14416_WT,Low,ChEMBL30,CHEMBL406215,NC1(C(=O)O)CC(C(=O)O)N(CCCc2ccccc2)C1,DDFIGBGCWDWQQR,DDFIGBGCWDWQQR-UHFFFAOYSA-N,"InChI=1S/C15H20N2O4/c16-15(14(20)21)9-12(13(18)19)17(10-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:18,17,19,13,16,20,14,12,6,21,15,7,8,3,2,1,11,9,10,4,5/E:(2,3)(5,6)(18,19)(20,21)/rA:21NCCOOCCCOONCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DDGDQPSVYMRUCV_on_P31644_WT,High,ChEMBL30,CHEMBL3676445;CHEMBL3676446,Cc1c(COc2ccc(C(=O)N3CCCC3CO)cn2)c(C2CCCNC2)no1,DDGDQPSVYMRUCV,DDGDQPSVYMRUCV-UHFFFAOYSA-N,"InChI=1S/C21H28N4O4/c1-14-18(20(24-29-14)15-4-2-8-22-10-15)13-28-19-7-6-16(11-23-19)21(27)25-9-3-5-17(25)12-26/h6-7,11,15,17,22,26H,2-5,8-10,12-13H2,1H3","""AuxInfo=1/0/N:1,24,14,23,15,8,7,25,13,27,19,17,4,2,22,9,16,3,6,21,10,26,20,28,12,18,11,5,29/rA:29CCCCOCCCCCONCCCCCOCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s12s15;s16;s17;s9;s6d19;s3;s21;s22;s23;s24;s25;s22s26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.380;  7.700,7.54,0.16,0.16,2.0,7.54,0.16
-DDOQBQRIEWHWBT_on_O00222_WT,High,ChEMBL30,CHEMBL285843;CHEMBL33567;CHEMBL33567;CHEMBL33567,NC(CCP(=O)(O)O)C(=O)O,DDOQBQRIEWHWBT,DDOQBQRIEWHWBT-UHFFFAOYSA-N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/rA:11NCCCPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL828593;CHEMBL4371732;CHEMBL4037493;CHEMBL4037499,PMID:10893301,2000.0,PMID:15603952;PMID:30365309;PMID:29397723;PMID:29397723,2005;2018;2018;2018,1;0;0;0,0;1;1;1,0,0,0,,=,  8.290;  7.220;  6.540;  6.540,7.147,0.716,0.413,4.0,6.88,0.34
-DDOQBQRIEWHWBT_on_O15303_WT,High,ChEMBL30,CHEMBL33567,NC(CCP(=O)(O)O)C(=O)O,DDOQBQRIEWHWBT,DDOQBQRIEWHWBT-UHFFFAOYSA-N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/rA:11NCCCPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037496;CHEMBL4371731,PMID:9572889,1998.0,PMID:29397723;PMID:29397723;PMID:30365309,2018,0,1,0,0,0,,=,  6.000;  5.620;  7.260,6.292999999999999,0.701,0.496,3.0,6.0,0.38
-DDOQBQRIEWHWBT_on_Q14416_WT,Low,ChEMBL30,CHEMBL33567,NC(CCP(=O)(O)O)C(=O)O,DDOQBQRIEWHWBT,DDOQBQRIEWHWBT-UHFFFAOYSA-N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/rA:11NCCCPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718222,PMID:12109902,2002.0,PMID:12109902,2002,0,0,0,1,0,,=,  3.889,3.889,0.0,0.0,1.0,3.889,0.0
-DDOQBQRIEWHWBT_on_Q14831_WT,Low,ChEMBL30,CHEMBL33567,NC(CCP(=O)(O)O)C(=O)O,DDOQBQRIEWHWBT,DDOQBQRIEWHWBT-UHFFFAOYSA-N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/rA:11NCCCPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL892221;CHEMBL4037501;CHEMBL712461;CHEMBL4037497;CHEMBL712460;CHEMBL863304,PMID:7738999,1995.0,PMID:17350267;PMID:29397723;PMID:10893301;PMID:29397723;PMID:7738999;PMID:16213710,2007;2018;2000;2018;1995;2006,0,1;1;0;1;1;1,0,0;0;1;0;0;0,0,,=,  3.726;  3.604;  3.757;  3.472;  3.699;  3.730,3.665,0.099,0.044000000000000004,6.0,3.7119999999999997,0.031
-DDOQBQRIEWHWBT_on_Q14833_WT,High,ChEMBL30,CHEMBL33567,NC(CCP(=O)(O)O)C(=O)O,DDOQBQRIEWHWBT,DDOQBQRIEWHWBT-UHFFFAOYSA-N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/rA:11NCCCPOOOCOO/rB:s1;s2;s3;s4;d5;s5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4371730;CHEMBL4037498;CHEMBL4037495;CHEMBL1018994,PMID:7738999,1995.0,PMID:30365309;PMID:29397723;PMID:29397723;PMID:19042134,2018;2018;2018;2009,0,1;1;1;0,0,0;0;0;1,0,,=,  6.510;  6.890;  7.000;  6.800,6.8,0.182,0.105,4.0,6.845,0.1
-DDSULWHSYUPHBK_on_O00591_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_O14764_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P14867_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P18505_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P18507_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P28472_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P31644_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P34903_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P47869_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P47870_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P48169_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_P78334_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_Q16445_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDSULWHSYUPHBK_on_Q99928_WT,Low,ChEMBL30,CHEMBL364148,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1,DDSULWHSYUPHBK,DDSULWHSYUPHBK-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2F4N3S/c1-27-16-13(8-2-4-10(20)5-3-8)15(24)26(25-16)14-11(18)6-9(7-12(14)19)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,22,27,23,26,9,15,21,10,24,7,16,20,6,18,3,11,8,17,25,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(18,19)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-DDVYUZDACHYZPV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL246609;44442425,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCCC1,DDVYUZDACHYZPV,DDVYUZDACHYZPV-UHFFFAOYSA-N,"InChI=1S/C18H21N5O/c1-14-20-17-16(13-19-22(17)15-9-5-4-6-10-15)18(24)23(14)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3","""AuxInfo=1/0/N:1,21,22,12,11,13,20,23,10,14,19,24,6,2,9,5,4,15,7,3,18,8,17,16/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:24CCNCCCNNCCCCCCCONNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252;PubChemAID:308216,PMID:17532216,2007.0,PMID:17532216;PubChemAID:308216,2007;2010,1;0,0,0,0,0;1,,=,  5.440;  5.444,5.442,0.002,0.002,2.0,5.442,0.002
-DDVYUZDACHYZPV_on_Q13255_WT,High,ChEMBL30,CHEMBL246609,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCCC1,DDVYUZDACHYZPV,DDVYUZDACHYZPV-UHFFFAOYSA-N,"InChI=1S/C18H21N5O/c1-14-20-17-16(13-19-22(17)15-9-5-4-6-10-15)18(24)23(14)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3","""AuxInfo=1/0/N:1,21,22,12,11,13,20,23,10,14,19,24,6,2,9,5,4,15,7,3,18,8,17,16/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:24CCNCCCNNCCCCCCCONNCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-DDWMQMPXDUENHH_on_P41594_WT,Low,ChEMBL30,CHEMBL3702451,Cc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1,DDWMQMPXDUENHH,DDWMQMPXDUENHH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,21,16,20,22,17,15,12,11,24,7,25,2,19,18,13,14,23,5,8,6,26,3,10,4,9/E:(4,5)/rA:26CCNNCNCCONCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s20;s19s21;s10s14;s5w?23;s4;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,>,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-DDWMQMPXDUENHH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702451,Cc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1,DDWMQMPXDUENHH,DDWMQMPXDUENHH-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,21,16,20,22,17,15,12,11,24,7,25,2,19,18,13,14,23,5,8,6,26,3,10,4,9/E:(4,5)/rA:26CCNNCNCCONCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s20;s19s21;s10s14;s5w?23;s4;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-DEASRRJCWRFJGS_on_P41594_WT,High,ChEMBL30,CHEMBL3600425,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cccnc2)nc1,DEASRRJCWRFJGS,DEASRRJCWRFJGS-UHFFFAOYSA-N,"InChI=1S/C18H18ClN5OS/c1-2-4-15(24-17(25)18-21-7-8-26-18)12-9-14(19)16(22-10-12)23-13-5-3-6-20-11-13/h3,5-11,15H,2,4H2,1H3,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:1,2,21,3,20,22,10,11,14,26,24,13,19,15,4,17,6,8,16,23,9,25,18,5,7,12/rA:26CCCCNCOCNCCSCCCClCNCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s19d23;s17;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-DEGFQKLFNAFRBC_on_P41594_WT,Medium,ChEMBL30,CHEMBL65417,Cc1csc(C#Cc2ccccc2)n1,DEGFQKLFNAFRBC,DEGFQKLFNAFRBC-UHFFFAOYSA-N,"InChI=1S/C12H9NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,6,3,2,8,5,14,4/E:(3,4)(5,6)/rA:14CCCSCCCCCCCCCN/rB:s1;d2;s3;s4;s5;t6;s7;d8;s9;d10;s11;s8d12;s2d5;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711709,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-DEJKPJRVYDIZTE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,53323727;CHEMBL1682796;CHEMBL1682796;CHEMBL1682796,O=C1CCOc2c1ccc(C#Cc1ccccc1)c2,DEJKPJRVYDIZTE,DEJKPJRVYDIZTE-UHFFFAOYSA-N,"InChI=1S/C17H12O2/c18-16-10-11-19-17-12-14(8-9-15(16)17)7-6-13-4-2-1-3-5-13/h1-5,8-9,12H,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,19,13,10,7,2,6,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858;CHEMBL2426830;CHEMBL1685174;CHEMBL1685174,PMID:21295468,2011.0,PubChemAID:579858;PMID:23947773;PMID:21295468;PMID:21295468,2011;2013;2011;2011,0,0;1;1;1,0,0,1;0;0;0,,=,  7.530;  6.170;  7.520;  7.530,7.188,0.5870000000000001,0.33899999999999997,4.0,7.525,0.005
-DEMHRVJRBXPRAD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110505,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1C,DEMHRVJRBXPRAD,DEMHRVJRBXPRAD-UHFFFAOYSA-N,"InChI=1S/C23H26FN3O2/c1-14-9-17(5-6-21(14)28-4)23-26-22(18-10-15(2)25-16(3)11-18)20-7-8-29-19(12-24)13-27(20)23/h5-6,9-11,19H,7-8,12-13H2,1-4H3","""AuxInfo=1/0/N:29,13,16,1,5,4,19,20,27,11,17,23,25,28,12,15,6,10,22,18,3,9,7,24,14,8,26,2,21/E:(2,3)(10,11)(15,16)/rA:29COCCCCCNCCCCCNCCCCCCOCCFCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s23;s22;s7s18s25;s6;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-DEMNUISBUXJRNU_on_O00591_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_O14764_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P14867_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P18505_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P18507_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P28472_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P31644_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P34903_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P47869_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P47870_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P48169_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_P78334_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_Q16445_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEMNUISBUXJRNU_on_Q99928_WT,Low,ChEMBL30,CHEMBL54340,O=c1cc(-c2cc(F)ccc2)oc2c1cccc2,DEMNUISBUXJRNU,DEMNUISBUXJRNU-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCFCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-DEPRZKLICJNMGM_on_P14867_WT,Low,ChEMBL30,CHEMBL373896,Oc1noc(C2CCNCC2)c1-c1ccc(Cl)cc1,DEPRZKLICJNMGM,DEPRZKLICJNMGM-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-13(19-17-14(12)18)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:14,19,15,18,7,11,8,10,13,6,16,12,5,2,17,9,3,1,4/E:(1,2)(3,4)(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.690;  6.690,6.69,0.0,0.0,2.0,6.69,0.0
-DEPRZKLICJNMGM_on_P18507_WT,Low,ChEMBL30,CHEMBL373896,Oc1noc(C2CCNCC2)c1-c1ccc(Cl)cc1,DEPRZKLICJNMGM,DEPRZKLICJNMGM-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-13(19-17-14(12)18)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:14,19,15,18,7,11,8,10,13,6,16,12,5,2,17,9,3,1,4/E:(1,2)(3,4)(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.690;  6.690,6.69,0.0,0.0,2.0,6.69,0.0
-DEPRZKLICJNMGM_on_P28472_WT,Low,ChEMBL30,CHEMBL373896,Oc1noc(C2CCNCC2)c1-c1ccc(Cl)cc1,DEPRZKLICJNMGM,DEPRZKLICJNMGM-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-13(19-17-14(12)18)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:14,19,15,18,7,11,8,10,13,6,16,12,5,2,17,9,3,1,4/E:(1,2)(3,4)(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.690;  6.690,6.69,0.0,0.0,2.0,6.69,0.0
-DERLWJKVSFUZRZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681496,Cc1c(COc2ccc(C(=O)NCC3(O)CC3)cn2)c(-c2ccccc2)no1,DERLWJKVSFUZRZ,DERLWJKVSFUZRZ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-14-17(19(24-28-14)15-5-3-2-4-6-15)12-27-18-8-7-16(11-22-18)20(25)23-13-21(26)9-10-21/h2-8,11,26H,9-10,12-13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,16,17,18,4,13,2,21,9,3,6,20,10,14,19,12,27,11,15,5,28/E:(3,4)(5,6)(9,10)/rA:28CCCCOCCCCCONCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-DEVJQRDKXPFPPJ_on_P14867_WT,Low,ChEMBL30,CHEMBL3138291,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N(C)C)cc5)CCC4(C)C3CCC12C,DEVJQRDKXPFPPJ,DEVJQRDKXPFPPJ-UHFFFAOYSA-N,"InChI=1S/C31H43NO2/c1-21(33)26-12-13-27-25-11-8-23-20-31(34,17-14-22-6-9-24(10-7-22)32(4)5)19-18-29(23,2)28(25)15-16-30(26,27)3/h6-7,9-10,23,25-28,34H,8,11-13,15-16,18-20H2,1-5H3","""AuxInfo=1/0/N:1,29,34,22,23,18,25,10,19,24,9,5,6,16,31,32,15,27,26,12,2,17,11,20,8,4,7,30,28,33,13,21,3,14/E:(4,5)(6,7)(9,10)/rA:34CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s13;s26;s11s27;s28;s8s28;s30;s31;s4s7s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-DEVJQRDKXPFPPJ_on_P18507_WT,Low,ChEMBL30,CHEMBL3138291,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N(C)C)cc5)CCC4(C)C3CCC12C,DEVJQRDKXPFPPJ,DEVJQRDKXPFPPJ-UHFFFAOYSA-N,"InChI=1S/C31H43NO2/c1-21(33)26-12-13-27-25-11-8-23-20-31(34,17-14-22-6-9-24(10-7-22)32(4)5)19-18-29(23,2)28(25)15-16-30(26,27)3/h6-7,9-10,23,25-28,34H,8,11-13,15-16,18-20H2,1-5H3","""AuxInfo=1/0/N:1,29,34,22,23,18,25,10,19,24,9,5,6,16,31,32,15,27,26,12,2,17,11,20,8,4,7,30,28,33,13,21,3,14/E:(4,5)(6,7)(9,10)/rA:34CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s13;s26;s11s27;s28;s8s28;s30;s31;s4s7s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-DEVJQRDKXPFPPJ_on_P47870_WT,Low,ChEMBL30,CHEMBL3138291,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N(C)C)cc5)CCC4(C)C3CCC12C,DEVJQRDKXPFPPJ,DEVJQRDKXPFPPJ-UHFFFAOYSA-N,"InChI=1S/C31H43NO2/c1-21(33)26-12-13-27-25-11-8-23-20-31(34,17-14-22-6-9-24(10-7-22)32(4)5)19-18-29(23,2)28(25)15-16-30(26,27)3/h6-7,9-10,23,25-28,34H,8,11-13,15-16,18-20H2,1-5H3","""AuxInfo=1/0/N:1,29,34,22,23,18,25,10,19,24,9,5,6,16,31,32,15,27,26,12,2,17,11,20,8,4,7,30,28,33,13,21,3,14/E:(4,5)(6,7)(9,10)/rA:34CCOCCCCCCCCCCOCCCCCCNCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s13;s26;s11s27;s28;s8s28;s30;s31;s4s7s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-DEXTWPFTCGLWCH_on_P31644_WT,High,ChEMBL30,CHEMBL3676512,Cc1c(COc2ncc(C(=O)NC(C)C)c(C(F)(F)F)c2)c(-c2ccccc2)no1,DEXTWPFTCGLWCH,DEXTWPFTCGLWCH-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O3/c1-12(2)26-20(28)15-10-25-18(9-17(15)21(22,23)24)29-11-16-13(3)30-27-19(16)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:14,15,1,26,25,27,24,28,21,8,4,13,2,23,9,3,16,6,22,10,17,18,19,20,7,12,29,11,5,30/E:(1,2)(5,6)(7,8)(22,23,24)/rA:30CCCCOCNCCCONCCCCCFFFCCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s16;s17;s17;s17;s6d16;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-DEXYLUUYCMWEGD_on_P41594_WT,Medium,ChEMBL30,CHEMBL4109702,Cc1cccc(C#CC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1,DEXYLUUYCMWEGD,DEXYLUUYCMWEGD-UHFFFAOYSA-N,"InChI=1S/C22H23N3O/c1-17-6-4-7-18(24-17)9-12-21-10-5-11-22(16-21,14-13-21)25-20(26)19-8-2-3-15-23-19/h2-4,6-8,15H,5,10-11,13-14,16H2,1H3,(H,25,26)","""AuxInfo=1/1/N:1,19,20,4,11,3,5,18,7,10,12,8,24,23,21,25,2,6,17,15,9,13,22,26,14,16/rA:26CCCCCCCCCCCCCNCOCCCCCNCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s10;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s13;s9s23;s9s13;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-DEYXZQSXEQLXMZ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913382,CS(=O)(=O)c1cc(Nc2c3ncccc3n[nH]2)ccc1F,DEYXZQSXEQLXMZ,DEYXZQSXEQLXMZ-UHFFFAOYSA-N,"InChI=1S/C13H11FN4O2S/c1-21(19,20)11-7-8(4-5-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,13,14,18,19,12,6,7,20,15,5,10,9,21,11,8,16,17,3,4,2/E:(19,20)/CRV:21.6/rA:21CSOOCCCNCCNCCCCNNCCCF/rB:s1;d2;d2;s2;d5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;d7;s18;s5d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-DFBAOZFMVKCUPQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115390,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(C)n1,DFBAOZFMVKCUPQ,DFBAOZFMVKCUPQ-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-9-17(5-6-20(13)31-23(24,25)26)22-28-21(18-10-14(2)27-15(3)11-18)19-7-8-30-16(4)12-29(19)22/h5-6,9-11,16H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:25,1,30,11,16,17,7,8,26,3,28,12,24,2,29,10,15,4,6,18,5,14,20,21,22,23,31,27,13,9,19/E:(2,3)(10,11)(14,15)(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s15d24;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-DFGDRLKNGUTURO_on_Q13255_WT,Low,ChEMBL30,CHEMBL316451,NC(C(=O)O)c1c(Cl)c(O)cc(O)c1,DFGDRLKNGUTURO,DFGDRLKNGUTURO-UHFFFAOYSA-N,"InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)","""AuxInfo=1/1/N:14,11,12,6,9,7,2,3,8,1,13,10,4,5/E:(13,14)/rA:14NCCOOCCClCOCCOC/rB:s1;s2;d3;s3;s2;d6;s7;s7;s9;d9;s11;s12;s6d12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.125,3.125,0.0,0.0,1.0,3.125,0.0
-DFGIKMAFZLSMDI_on_P31644_WT,High,ChEMBL30,CHEMBL3675684,Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(-c3ccccn3)nnn2C)n1,DFGIKMAFZLSMDI,DFGIKMAFZLSMDI-UHFFFAOYSA-N,"InChI=1S/C20H22N6O2S/c1-13-19(20(27)23-14-8-11-28-12-9-14)29-17(22-13)7-6-16-18(24-25-26(16)2)15-5-3-4-10-21-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,28,21,22,20,16,15,8,12,23,9,11,2,7,19,17,14,18,3,4,24,29,6,25,26,27,5,10,13/E:(8,9)(11,12)/rA:29CCCCONCCCOCCSCCCCCCCCCCNNNNCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;s13;s14;w?15;s16;d17;s18;d19;s20;d21;s22;s19d23;s18;d25;s17s26;s27;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-DFLKLKBRKRRZGG_on_P41594_WT,Low,ChEMBL30,CHEMBL239600,Cn1c(O)nc2c1cccc2C(=O)Nc1cc(Cl)ccc1,DFLKLKBRKRRZGG,DFLKLKBRKRRZGG-UHFFFAOYSA-N,"InChI=1S/C15H12ClN3O2/c1-19-12-7-3-6-11(13(12)18-15(19)21)14(20)17-10-5-2-4-9(16)8-10/h2-8H,1H3,(H,17,20)(H,18,21)","""AuxInfo=1/1/N:1,20,9,19,21,10,8,16,17,15,11,7,6,12,3,18,14,5,2,13,4/rA:21CNCONCCCCCCCONCCCClCCC/rB:s1;s2;s3;d3;s5;s2d6;s7;d8;s9;s6d10;s11;d12;s12;s14;d15;s16;s17;d17;s19;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DFNKIGFBYCFAKU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3929001,CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1,DFNKIGFBYCFAKU,DFNKIGFBYCFAKU-UHFFFAOYSA-N,"InChI=1S/C24H22FN3O3/c1-24(2)11-21(29)28(22(30)12-24)13-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(23(26)31)27-19(17)9-14/h3-10H,11-13H2,1-2H3,(H2,26,31)","""AuxInfo=1/1/N:1,3,10,15,20,16,19,11,28,21,4,31,8,9,14,17,12,13,27,22,5,29,23,2,18,24,26,7,6,30,25/E:(1,2)(4,5)(6,7)(11,12)(21,22)(29,30)/rA:31CCCCCONCCCCCCCCCCFCCCCCNONCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;d29;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-DFWDFOZNVALGES_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1629865;11211597,Cc1nccc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)cc4)NC(=O)C3)c2)c1,DFWDFOZNVALGES,DFWDFOZNVALGES-UHFFFAOYSA-N,"InChI=1S/C22H16F3N3O/c1-13-9-15(7-8-26-13)14-3-2-4-16(10-14)19-12-21(29)28-20-11-17(22(23,24)25)5-6-18(20)27-19/h2-11H,12H2,1H3,(H,28,29)","""AuxInfo=1/1/N:1,9,8,10,22,23,5,4,29,28,16,27,2,7,6,11,17,14,12,15,25,18,19,20,21,3,13,24,26/E:(23,24,25)/rA:29CCNCCCCCCCCCNCCCCCFFFCCNCOCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;w?12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s14d22;s15;s24;d25;s12s25;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1639554;PubChemAID:548400,PMID:20971004,2010.0,PMID:20971004;PubChemAID:548400,2010;2011,1;0,0,0,0,0;1,,=,  7.600;  7.602,7.601,0.001,0.001,2.0,7.601,0.001
-DFZIWVYVVZHQPY_on_O15399_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DFZIWVYVVZHQPY_on_O60391_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DFZIWVYVVZHQPY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DFZIWVYVVZHQPY_on_Q05586_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.700;  7.470;  8.380,8.183,0.521,0.368,3.0,8.38,0.32
-DFZIWVYVVZHQPY_on_Q12879_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.380;  8.700,8.54,0.16,0.16,2.0,8.54,0.16
-DFZIWVYVVZHQPY_on_Q13224_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746993;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.470;  8.700,8.085,0.615,0.615,2.0,8.085,0.615
-DFZIWVYVVZHQPY_on_Q14957_WT,Low,ChEMBL30,CHEMBL1188358,O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12,DFZIWVYVVZHQPY,DFZIWVYVVZHQPY-UHFFFAOYSA-N,"InChI=1S/C16H16N3O5P/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24)","""AuxInfo=1/1/N:11,10,12,16,9,13,15,17,7,8,14,18,25,20,22,5,6,19,24,21,23,1,3,4,2/E:(2,3)(5,6)(22,23,24)/rA:25OPOOCNCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s14s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DGBIGWXXNGSACT_on_O00591_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_O14764_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P14867_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P18505_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P18507_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P28472_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P31644_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P34903_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P47869_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P47870_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P48169_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_P78334_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_Q16445_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGBIGWXXNGSACT_on_Q99928_WT,Low,ChEMBL30,CHEMBL452,O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1,DGBIGWXXNGSACT,DGBIGWXXNGSACT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:11,10,12,9,16,15,21,3,17,6,13,7,14,2,5,8,4,22,18,1,19,20/E:(21,22)/CRV:19.5/rA:22OCCNCCCClCCCCCCCCCN+OO-CN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s5;d13;s14;d15;s16;s17;d18;s18;s13d17;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-DGCDCXGDNVBQOY_on_Q14833_WT,High,ChEMBL30,CHEMBL4100586,CN(C)C(=O)N1CC(Oc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)C1,DGCDCXGDNVBQOY,DGCDCXGDNVBQOY-UHFFFAOYSA-N,"InChI=1S/C22H21N5O4/c1-25(2)22(28)27-11-16(12-27)30-15-5-6-20-17(9-15)18(24-29)10-21(31-20)19-8-14-4-3-7-26(14)13-23-19/h3-10,13,16,29H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,11,12,21,17,30,25,7,31,23,18,10,8,29,26,16,13,15,4,24,27,2,22,6,5,28,9,14/E:(1,2)(11,12)/rA:31CNCCONCCOCCCCOCCCCCCCNCNCCNOCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s18s21;s22;s16d23;d15;s25;w?26;s27;s13s26;s10d29;s6s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-DGFQIJMEILPIEC_on_P31644_WT,High,ChEMBL30,CHEMBL3676507,Cc1c(COc2cc(OCc3ccccc3)ccn2)c(-c2ccccc2)no1,DGFQIJMEILPIEC,DGFQIJMEILPIEC-UHFFFAOYSA-N,"InChI=1S/C23H20N2O3/c1-17-21(23(25-28-17)19-10-6-3-7-11-19)16-27-22-14-20(12-13-24-22)26-15-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3","""AuxInfo=1/0/N:1,14,24,13,15,23,25,12,16,22,26,17,18,7,10,4,2,11,21,8,3,6,20,19,27,9,5,28/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCCCOCCCOCCCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-DGGVSYPBSIIZRQ_on_P41594_WT,High,ChEMBL30,CHEMBL1672439,CCCn1cc(C)nc1-c1cc(Cl)c(Nc2ccc(Cl)cc2)nc1,DGGVSYPBSIIZRQ,DGGVSYPBSIIZRQ-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,7,2,18,21,17,22,3,11,24,5,6,10,19,16,12,14,9,20,13,23,8,15,4/E:(4,5)(6,7)/rA:24CCCNCCCNCCCCClCNCCCCClCCNC/rB:s1;s2;s3;s4;d5;s6;s6;s4d8;s9;d10;s11;s12;d12;s14;s15;d16;s17;d18;s19;s19;s16d21;s14;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-DGGXNFIGWVTELR_on_P41594_WT,High,ChEMBL30,CHEMBL3746240,O=C1c2cc(COc3ccccc3)nn2CCN1c1cnccc1,DGGXNFIGWVTELR,DGGXNFIGWVTELR-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c23-18-17-11-14(13-24-16-6-2-1-3-7-16)20-22(17)10-9-21(18)15-5-4-8-19-12-15/h1-8,11-12H,9-10,13H2","""AuxInfo=1/0/N:11,10,12,23,24,9,13,22,17,16,4,20,6,5,19,8,3,2,21,14,18,15,1,7/E:(2,3)(6,7)/rA:24OCCCCCOCCCCCCNNCCNCCNCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-DGHNZTYGYCGGKN_on_P14867_WT,Low,ChEMBL30,CHEMBL309267,CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,DGHNZTYGYCGGKN,DGHNZTYGYCGGKN-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-22(2,3)21(26)27-12-8-9-14-16(10-12)25-20-18-13-6-4-5-7-15(13)24-17(18)11-23-19(14)20/h4-11,24-25H,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,23,9,10,13,18,8,21,11,22,12,19,20,16,15,5,2,17,27,14,6,7/E:(1,2,3)/rA:27CCCCCOOCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s11;s8d12;s12;s14;s11d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677027,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-DGHNZTYGYCGGKN_on_P18507_WT,Low,ChEMBL30,CHEMBL309267,CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,DGHNZTYGYCGGKN,DGHNZTYGYCGGKN-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-22(2,3)21(26)27-12-8-9-14-16(10-12)25-20-18-13-6-4-5-7-15(13)24-17(18)11-23-19(14)20/h4-11,24-25H,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,23,9,10,13,18,8,21,11,22,12,19,20,16,15,5,2,17,27,14,6,7/E:(1,2,3)/rA:27CCCCCOOCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s11;s8d12;s12;s14;s11d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677027,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-DGHNZTYGYCGGKN_on_P28472_WT,Low,ChEMBL30,CHEMBL309267,CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,DGHNZTYGYCGGKN,DGHNZTYGYCGGKN-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-22(2,3)21(26)27-12-8-9-14-16(10-12)25-20-18-13-6-4-5-7-15(13)24-17(18)11-23-19(14)20/h4-11,24-25H,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,23,9,10,13,18,8,21,11,22,12,19,20,16,15,5,2,17,27,14,6,7/E:(1,2,3)/rA:27CCCCCOOCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s11;s8d12;s12;s14;s11d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677027,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-DGHNZTYGYCGGKN_on_P31644_WT,Low,ChEMBL30,CHEMBL309267,CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,DGHNZTYGYCGGKN,DGHNZTYGYCGGKN-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-22(2,3)21(26)27-12-8-9-14-16(10-12)25-20-18-13-6-4-5-7-15(13)24-17(18)11-23-19(14)20/h4-11,24-25H,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,23,9,10,13,18,8,21,11,22,12,19,20,16,15,5,2,17,27,14,6,7/E:(1,2,3)/rA:27CCCCCOOCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s11;s8d12;s12;s14;s11d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-DGHNZTYGYCGGKN_on_Q16445_WT,Low,ChEMBL30,CHEMBL309267,CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,DGHNZTYGYCGGKN,DGHNZTYGYCGGKN-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-22(2,3)21(26)27-12-8-9-14-16(10-12)25-20-18-13-6-4-5-7-15(13)24-17(18)11-23-19(14)20/h4-11,24-25H,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,23,9,10,13,18,8,21,11,22,12,19,20,16,15,5,2,17,27,14,6,7/E:(1,2,3)/rA:27CCCCCOOCCCCCCNCCNCCCCCCCCCN/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s11;s8d12;s12;s14;s11d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DGRLZFWNJWSHOX_on_P41594_WT,High,ChEMBL30,CHEMBL185078,Cc1nc(C#Cc2ccc(-c3ccccc3)cc2)cs1,DGRLZFWNJWSHOX,DGRLZFWNJWSHOX-UHFFFAOYSA-N,"InChI=1S/C18H13NS/c1-14-19-18(13-20-14)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11,13H,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,8,18,6,9,17,5,19,2,7,11,10,4,3,20/E:(3,4)(5,6)(7,8)(10,11)/rA:20CCNCCCCCCCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-DGSIOKGJBGEDNB_on_P18507_WT,Low,ChEMBL30,CHEMBL569261,CCOC(=O)c1c2Cc3c(nc(-c4ccccc4)nc3)-c3c(cccc3)-n2cn1,DGSIOKGJBGEDNB,DGSIOKGJBGEDNB-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-2-29-23(28)21-19-12-16-13-24-22(15-8-4-3-5-9-15)26-20(16)17-10-6-7-11-18(17)27(19)14-25-21/h3-11,13-14H,2,12H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,25,24,14,18,26,23,8,20,28,13,9,21,22,7,10,6,12,4,19,29,11,27,5,3/E:(4,5)(8,9)/rA:29CCOCOCCCCCNCCCCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s10;d21;s22;d23;s24;s21d25;s7s22;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-DGSIOKGJBGEDNB_on_P28472_WT,Low,ChEMBL30,CHEMBL569261,CCOC(=O)c1c2Cc3c(nc(-c4ccccc4)nc3)-c3c(cccc3)-n2cn1,DGSIOKGJBGEDNB,DGSIOKGJBGEDNB-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-2-29-23(28)21-19-12-16-13-24-22(15-8-4-3-5-9-15)26-20(16)17-10-6-7-11-18(17)27(19)14-25-21/h3-11,13-14H,2,12H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,25,24,14,18,26,23,8,20,28,13,9,21,22,7,10,6,12,4,19,29,11,27,5,3/E:(4,5)(8,9)/rA:29CCOCOCCCCCNCCCCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s10;d21;s22;d23;s24;s21d25;s7s22;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-DGSIOKGJBGEDNB_on_P31644_WT,Low,ChEMBL30,CHEMBL569261,CCOC(=O)c1c2Cc3c(nc(-c4ccccc4)nc3)-c3c(cccc3)-n2cn1,DGSIOKGJBGEDNB,DGSIOKGJBGEDNB-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-2-29-23(28)21-19-12-16-13-24-22(15-8-4-3-5-9-15)26-20(16)17-10-6-7-11-18(17)27(19)14-25-21/h3-11,13-14H,2,12H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,25,24,14,18,26,23,8,20,28,13,9,21,22,7,10,6,12,4,19,29,11,27,5,3/E:(4,5)(8,9)/rA:29CCOCOCCCCCNCCCCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s10;d21;s22;d23;s24;s21d25;s7s22;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-DGSZMALCRBBFSG_on_P18507_WT,Low,ChEMBL30,CHEMBL565721,CCOC(=O)c1c2Cn3c(-c4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,DGSZMALCRBBFSG,DGSZMALCRBBFSG-UHFFFAOYSA-N,"InChI=1S/C22H19N5O3/c1-3-30-22(28)19-18-12-26-20(14-7-5-4-6-8-14)24-25-21(26)16-11-15(29-2)9-10-17(16)27(18)13-23-19/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,26,2,14,13,15,12,16,23,22,27,8,29,11,24,20,21,7,6,10,19,4,30,17,18,9,28,5,25,3/E:(5,6)(7,8)/rA:30CCOCOCCCNCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;d20;s21;d22;s23;s24;s25;s20d24;s7s21;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DGSZMALCRBBFSG_on_P28472_WT,Low,ChEMBL30,CHEMBL565721,CCOC(=O)c1c2Cn3c(-c4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,DGSZMALCRBBFSG,DGSZMALCRBBFSG-UHFFFAOYSA-N,"InChI=1S/C22H19N5O3/c1-3-30-22(28)19-18-12-26-20(14-7-5-4-6-8-14)24-25-21(26)16-11-15(29-2)9-10-17(16)27(18)13-23-19/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,26,2,14,13,15,12,16,23,22,27,8,29,11,24,20,21,7,6,10,19,4,30,17,18,9,28,5,25,3/E:(5,6)(7,8)/rA:30CCOCOCCCNCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;d20;s21;d22;s23;s24;s25;s20d24;s7s21;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DGSZMALCRBBFSG_on_P31644_WT,Low,ChEMBL30,CHEMBL565721,CCOC(=O)c1c2Cn3c(-c4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,DGSZMALCRBBFSG,DGSZMALCRBBFSG-UHFFFAOYSA-N,"InChI=1S/C22H19N5O3/c1-3-30-22(28)19-18-12-26-20(14-7-5-4-6-8-14)24-25-21(26)16-11-15(29-2)9-10-17(16)27(18)13-23-19/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,26,2,14,13,15,12,16,23,22,27,8,29,11,24,20,21,7,6,10,19,4,30,17,18,9,28,5,25,3/E:(5,6)(7,8)/rA:30CCOCOCCCNCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;d20;s21;d22;s23;s24;s25;s20d24;s7s21;s28;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DGWAMRKYNYINRJ_on_O00591_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_O14764_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P14867_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P18505_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P18507_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P28472_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P31644_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P34903_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P47869_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P47870_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P48169_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_P78334_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWAMRKYNYINRJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL434522,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1,DGWAMRKYNYINRJ,DGWAMRKYNYINRJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3OS2/c1-7(26)11-3-4-12(28-11)13-15(23)25(24-16(13)27-2)14-9(18)5-8(6-10(14)19)17(20,21)22/h3-6H,23H2,1-2H3","""AuxInfo=1/0/N:26,1,23,22,9,15,25,10,7,16,24,21,20,6,18,3,11,8,17,12,13,14,19,4,5,27,2,28/E:(5,6)(9,10)(18,19)(20,21,22)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCCOS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;d25;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DGWBQMLESHGUBF_on_Q14416_WT,High,ChEMBL30,CHEMBL604467,Cn1c(CN2CCC(c3ccccc3C(F)(F)F)CC2)nc2c1cccc2,DGWBQMLESHGUBF,DGWBQMLESHGUBF-UHFFFAOYSA-N,"InChI=1S/C21H22F3N3/c1-26-19-9-5-4-8-18(19)25-20(26)14-27-12-10-15(11-13-27)16-6-2-3-7-17(16)21(22,23)24/h2-9,15H,10-14H2,1H3","""AuxInfo=1/0/N:1,11,12,26,25,10,13,27,24,7,19,6,20,4,8,9,14,22,23,3,15,16,17,18,21,2,5/E:(10,11)(12,13)(22,23,24)/rA:27CNCCNCCCCCCCCCCFFFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s14;s15;s15;s15;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.500;  5.200,5.85,0.65,0.65,2.0,5.85,0.65
-DGXWZILKWMLHJZ_on_P41594_WT,High,ChEMBL30,CHEMBL3805542,O=C1NC(c2cc(C#Cc3ccccc3)cnc2)C(c2cc(F)ccc2)O1,DGXWZILKWMLHJZ,DGXWZILKWMLHJZ-UHFFFAOYSA-N,"InChI=1S/C22H15FN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)","""AuxInfo=1/1/N:13,12,14,25,11,15,26,24,9,8,6,21,16,18,10,7,20,5,22,4,19,2,23,17,3,1,27/E:(2,3)(5,6)/rA:27OCNCCCCCCCCCCCCCNCCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s16;s5d17;s4;s19;d20;s21;s22;d22;s24;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979;CHEMBL3807497;CHEMBL3807498,PMID:27856084,2016.0,PMID:27856084;PMID:27856084;PMID:26985317;PMID:26985317,2016,0,0;1;1;0,0,1;0;0;1,0,,=,  8.800;  8.960;  9.080;  8.820,8.915,0.113,0.066,4.0,8.89,0.08
-DGZIIIJBAOFGFY_on_P41594_WT,High,ChEMBL30,CHEMBL3702375,COc1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)ccn1,DGZIIIJBAOFGFY,DGZIIIJBAOFGFY-UHFFFAOYSA-N,"InChI=1S/C23H24N4O3/c1-29-22-13-16(5-7-24-22)19-14-21-17-3-2-4-20(26-9-11-30-12-10-26)18(17)6-8-27(21)23(28)15-25-19/h2-5,7,13-14H,6,8-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,28,13,29,12,21,25,22,24,4,27,8,5,15,14,6,19,26,3,9,30,7,20,11,10,2,23/E:(9,10)(11,12)/rA:30COCCCCNCCONCCCCCCCCNCCOCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-DGZIIIJBAOFGFY_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702375,COc1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)ccn1,DGZIIIJBAOFGFY,DGZIIIJBAOFGFY-UHFFFAOYSA-N,"InChI=1S/C23H24N4O3/c1-29-22-13-16(5-7-24-22)19-14-21-17-3-2-4-20(26-9-11-30-12-10-26)18(17)6-8-27(21)23(28)15-25-19/h2-5,7,13-14H,6,8-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,28,13,29,12,21,25,22,24,4,27,8,5,15,14,6,19,26,3,9,30,7,20,11,10,2,23/E:(9,10)(11,12)/rA:30COCCCCNCCONCCCCCCCCNCCOCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DGZRONNNAOSXHC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971278,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C(F)(F)F,DGZRONNNAOSXHC,DGZRONNNAOSXHC-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-10-16(11-14(2)26-13)20-18-6-8-30-9-7-28(18)21(27-20)15-4-5-17(22(23,24)25)19(12-15)29-3/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,26,17,3,8,6,27,28,29,30,13,7,23,2,20/E:(1,2)(10,11)(13,14)(23,24,25)/rA:30COCCCCNCCCCCNCCCCCCOCCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-DGZYPGWWTKGBQP_on_O00591_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_O14764_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P14867_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P18505_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P18507_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P28472_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P31644_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P34903_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P47869_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P47870_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P48169_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_P78334_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_Q16445_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DGZYPGWWTKGBQP_on_Q99928_WT,Low,ChEMBL30,CHEMBL327650,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2,DGZYPGWWTKGBQP,DGZYPGWWTKGBQP-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-DHBPCATYNFLMAN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786982,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)ncs1,DHBPCATYNFLMAN,DHBPCATYNFLMAN-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3O2S/c1-11-17(21-10-26-11)18(24)22-13-6-7-16(15(20)8-13)23-9-12-4-2-3-5-14(12)19(23)25/h2-8,10H,9H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,17,19,16,23,22,8,13,25,2,14,7,15,9,11,3,4,20,10,24,6,12,5,21,26/rA:26CCCCONCCCClCNCCCCCCCCOCCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;d24;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-DHEKTOPEFWQDPU_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836715;CHEMBL1830714,Cn1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,DHEKTOPEFWQDPU,DHEKTOPEFWQDPU-UHFFFAOYSA-N,"InChI=1S/C13H14N6S/c1-19-6-5-11(18-19)15-13-16-12-8-7-14-17-9(8)3-2-4-10(12)20-13/h5-7H,2-4H2,1H3,(H,14,17)(H,15,16,18)","""AuxInfo=1/1/N:1,12,13,11,4,3,16,15,14,10,5,9,7,17,6,8,18,20,2,19/rA:20CNCCCNCNCCCCCCCCNNSN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.523;  5.520,5.521,0.002,0.002,2.0,5.521,0.002
-DHEXTYZLLGWEFS_on_O00591_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_O14764_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P14867_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P18505_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P18507_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P28472_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P31644_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P34903_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P47869_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P47870_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P48169_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_P78334_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_Q16445_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHEXTYZLLGWEFS_on_Q99928_WT,Low,ChEMBL30,CHEMBL55942,O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br,DHEXTYZLLGWEFS,DHEXTYZLLGWEFS-UHFFFAOYSA-N,"InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H","""AuxInfo=1/0/N:8,7,9,6,10,3,5,2,4,13,16,20,14,18,12,17,21,1,15,19,11/E:(2,3)(4,5)/rA:21OCCCCCCCCCOCCCOCBrCOCBr/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-DHGIUNURIAYCCZ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL326568,COc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1,DHGIUNURIAYCCZ,DHGIUNURIAYCCZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O2/c1-28-20-7-4-18(5-8-20)15-19-10-13-26(14-11-19)12-2-3-17-6-9-21-22(16-17)25-23(27)24-21/h4-9,16,19H,10-15H2,1H3,(H2,24,25,27)","""AuxInfo=1/1/N:1,13,14,5,27,16,4,28,17,9,26,12,10,25,7,24,15,6,8,3,18,23,20,19,22,11,21,2/E:(4,5)(7,8)(10,11)(13,14)/rA:28COCCCCCCCCNCCCCCCCNCONCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;t13;s14;d15;s16;d17;s18;s19;s20;d20;s18s22;s15d23;s11;s8s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-DHJQWBSZKBDBFP_on_O15399_WT,Low,ChEMBL30,CHEMBL322304;CHEMBL107961;CHEMBL322304;CHEMBL108823;CHEMBL108096;CHEMBL107961;CHEMBL107660;CHEMBL108096;CHEMBL108823;CHEMBL107660,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.010;  6.620;  5.800;  5.590;  6.260;  5.190;  6.830;  5.500;  6.580;  6.220,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_O60391_WT,Low,ChEMBL30,CHEMBL108823;CHEMBL322304;CHEMBL107660;CHEMBL107961;CHEMBL108096;CHEMBL107961;CHEMBL107660;CHEMBL108096;CHEMBL108823;CHEMBL322304,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748198;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748786,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  5.590;  5.800;  6.220;  6.620;  6.260;  5.190;  6.830;  5.500;  6.580;  6.010,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL108823;CHEMBL107660;CHEMBL322304;CHEMBL322304;CHEMBL108096;CHEMBL107961;CHEMBL108823;CHEMBL107660;CHEMBL107961;CHEMBL108096,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748198;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  5.590;  6.220;  5.800;  6.010;  6.260;  5.190;  6.580;  6.830;  6.620;  5.500,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_Q05586_WT,Low,ChEMBL30,CHEMBL107961;CHEMBL107961;CHEMBL108823;CHEMBL108823;CHEMBL108096;CHEMBL108096;CHEMBL322304;CHEMBL322304;CHEMBL107660;CHEMBL107660,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  5.190;  6.620;  6.580;  5.590;  5.500;  6.260;  5.800;  6.010;  6.220;  6.830,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_Q12879_WT,Low,ChEMBL30,CHEMBL322304;CHEMBL322304;CHEMBL107660;CHEMBL108823;CHEMBL107961;CHEMBL108096;CHEMBL107660;CHEMBL108096;CHEMBL108823;CHEMBL107961,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.010;  5.800;  6.830;  5.590;  6.620;  5.500;  6.220;  6.260;  6.580;  5.190,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_Q13224_WT,Low,ChEMBL30,CHEMBL322304;CHEMBL107961;CHEMBL108096;CHEMBL322304;CHEMBL107660;CHEMBL107660;CHEMBL108823;CHEMBL107961;CHEMBL108823;CHEMBL108096,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748786;CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.010;  6.620;  6.260;  5.800;  6.220;  6.830;  5.590;  5.190;  6.580;  5.500,6.06,0.51,0.17,10.0,6.115,0.485
-DHJQWBSZKBDBFP_on_Q14957_WT,Low,ChEMBL30,CHEMBL107660;CHEMBL322304;CHEMBL108823;CHEMBL322304;CHEMBL108096;CHEMBL108823;CHEMBL107961;CHEMBL107961;CHEMBL107660;CHEMBL108096,NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O,DHJQWBSZKBDBFP,DHJQWBSZKBDBFP-UHFFFAOYSA-N,"InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,6,8,5,10,11,3,9,4,2,16,1,17,18,13,14,15,12/E:(13,14)(15,16,17)/rA:18NCCCCCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;d12;s12;s12;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748198;CHEMBL748198;CHEMBL748786;CHEMBL748786;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198;CHEMBL748786;CHEMBL748198,DOI:10.1016/S0960-894X(00)80086-4,1993.0,DOI:10.1016/S0960-894X(00)80086-4,1993,1,0,0,0,0,,=,  6.220;  5.800;  6.580;  6.010;  6.260;  5.590;  6.620;  5.190;  6.830;  5.500,6.06,0.51,0.17,10.0,6.115,0.485
-DHKGTCFEVVYWGO_on_Q14833_WT,High,ChEMBL30,CHEMBL2023453,Cc1nn(-c2ccccc2)c(C)c1-c1ccnc2ccccc12,DHKGTCFEVVYWGO,DHKGTCFEVVYWGO-UHFFFAOYSA-N,"InChI=1S/C20H17N3/c1-14-20(15(2)23(22-14)16-8-4-3-5-9-16)18-12-13-21-19-11-7-6-10-17(18)19/h3-13H,1-2H3","""AuxInfo=1/0/N:1,12,8,7,9,21,20,6,10,22,19,15,16,2,11,5,23,14,18,13,17,3,4/E:(4,5)(8,9)/rA:23CCNNCCCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d11;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-DHLJRIFIBJGWBS_on_O00591_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_O14764_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P14867_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P18505_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P18507_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P28472_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P31644_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P34903_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P47869_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P47870_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P48169_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_P78334_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_Q16445_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHLJRIFIBJGWBS_on_Q99928_WT,Low,ChEMBL30,CHEMBL1188507,Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N,DHLJRIFIBJGWBS,DHLJRIFIBJGWBS-UHFFFAOYSA-N,"InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,8,7,9,6,10,3,15,13,2,5,14,4,16,20,21,11,18,12,17,19/E:(3,4)(5,6)/rA:21CCCCCCCCCCNNCCCCONOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;s16;d16;s14s18;s2s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DHMDOIVYRXIWRW_on_Q13224_WT,High,ChEMBL30,CHEMBL3357788,c1ccc(C2CCN(C3CCc4c(cccc4)CC3)CC2)cc1,DHMDOIVYRXIWRW,DHMDOIVYRXIWRW-UHFFFAOYSA-N,"InChI=1S/C22H27N/c1-2-6-18(7-3-1)21-14-16-23(17-15-21)22-12-10-19-8-4-5-9-20(19)11-13-22/h1-9,21-22H,10-17H2","""AuxInfo=1/0/N:1,2,23,15,16,3,22,14,17,18,11,19,10,6,21,7,20,4,13,12,5,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:23CCCCCCCNCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s13;s9s18;s8;s5s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  8.160,8.16,0.0,0.0,1.0,8.16,0.0
-DHNZFOBWEJSKSD_on_Q14416_WT,High,ChEMBL30,CHEMBL185419,CCCc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O,DHNZFOBWEJSKSD,DHNZFOBWEJSKSD-UHFFFAOYSA-N,"InChI=1S/C22H26O6/c1-3-6-19-20(12-11-18(15(2)23)21(19)24)28-14-5-4-13-27-17-9-7-16(8-10-17)22(25)26/h7-12,24H,3-6,13-14H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,25,2,9,8,3,14,19,13,20,22,21,10,7,24,15,12,23,4,5,27,16,26,28,17,18,11,6/E:(7,8)(9,10)(25,26)/rA:28CCCCCOCCCCOCCCCCOOCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s16;s15;s12d19;s5;d21;s22;s23;s24;d24;s4d23;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-DHODPMXQCWQCCQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3956361,O=C(Nc1nc(CO)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,DHODPMXQCWQCCQ,DHODPMXQCWQCCQ-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O4S2/c18-11-4-3-5-12(19)10(11)9-28(25,26)16-14(8-23)21-17(27-16)22-15(24)13-6-1-2-7-20-13/h1-7,23H,8-9H2,(H,21,22,24)","""AuxInfo=1/1/N:25,26,18,17,19,24,27,7,13,14,15,20,23,6,2,9,4,16,21,28,5,3,8,1,11,12,22,10/E:(4,5)(11,12)(18,19)(25,26)/CRV:28.6/rA:28OCNCNCCOCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;d6;s9;d10;d10;s10;s13;d14;s15;s15;d17;s18;s14d19;s20;s4s9;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-DHRTXMNISRFXBJ_on_Q14833_WT,High,ChEMBL30,CHEMBL4081595,ON=c1cc(-c2ncc3ccccc3c2)oc2c1cccc2,DHRTXMNISRFXBJ,DHRTXMNISRFXBJ-UHFFFAOYSA-N,"InChI=1S/C18H12N2O2/c21-20-15-10-18(22-17-8-4-3-7-14(15)17)16-9-12-5-1-2-6-13(12)11-19-16/h1-11,21H","""AuxInfo=1/0/N:12,11,20,21,13,10,19,22,15,4,8,14,9,18,3,6,17,5,7,2,1,16/rA:22ONCCCCNCCCCCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-DHRVFYPUBAVXCQ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL352071,Cc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1,DHRVFYPUBAVXCQ,DHRVFYPUBAVXCQ-UHFFFAOYSA-N,"InChI=1S/C20H15Cl2N3O4/c1-10-2-4-12(5-3-10)25-16(26)9-24(20(25)29)8-13-17-14(22)6-11(21)7-15(17)23-18(13)19(27)28/h2-7,23H,8-9H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,3,29,4,28,22,19,11,9,2,20,5,12,23,18,7,25,13,14,26,21,24,17,10,6,8,15,16,27/E:(2,3)(4,5)(27,28)/rA:29CCCCCNCOCNCCCCOONCCCClCCClCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;s14;s13;s17;d18;s19;s20;d20;s22;s23;s12s18d23;s6s10;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-DHWTVCHLMXAWGK_on_P14867_WT,Low,ChEMBL30,CHEMBL520411,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,DHWTVCHLMXAWGK,DHWTVCHLMXAWGK-UHFFFAOYSA-N,"InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)","""AuxInfo=1/1/N:21,20,22,6,7,19,23,5,8,15,14,17,24,3,26,18,4,16,12,9,13,2,10,25,1,11/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCCCOCCCCCCCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.290,9.29,0.0,0.0,1.0,9.29,0.0
-DHWTVCHLMXAWGK_on_P18507_WT,Low,ChEMBL30,CHEMBL520411,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,DHWTVCHLMXAWGK,DHWTVCHLMXAWGK-UHFFFAOYSA-N,"InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)","""AuxInfo=1/1/N:21,20,22,6,7,19,23,5,8,15,14,17,24,3,26,18,4,16,12,9,13,2,10,25,1,11/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCCCOCCCCCCCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.290,9.29,0.0,0.0,1.0,9.29,0.0
-DHWTVCHLMXAWGK_on_P47870_WT,Low,ChEMBL30,CHEMBL520411,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,DHWTVCHLMXAWGK,DHWTVCHLMXAWGK-UHFFFAOYSA-N,"InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)","""AuxInfo=1/1/N:21,20,22,6,7,19,23,5,8,15,14,17,24,3,26,18,4,16,12,9,13,2,10,25,1,11/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCCCOCCCCCCCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.290,9.29,0.0,0.0,1.0,9.29,0.0
-DHXISZKSSIWRLH_on_Q05586_WT,Medium,ChEMBL30,CHEMBL301556,O=C(O)c1cc2c(cc(Cl)cc2Cl)[nH]1,DHXISZKSSIWRLH,DHXISZKSSIWRLH-UHFFFAOYSA-N,"InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)","""AuxInfo=1/1/N:11,8,5,9,6,12,7,4,2,10,13,14,1,3/E:(13,14)/rA:14OCOCCCCCCClCCClN/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s6d11;s12;s4s7;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-DHZBNHMEIOBPAE_on_P14867_WT,Low,ChEMBL30,CHEMBL2068817,COc1c(CN(C(C)=O)c2cnccc2Oc2ccccc2)cccc1,DHZBNHMEIOBPAE,DHZBNHMEIOBPAE-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3","""AuxInfo=1/0/N:8,1,20,19,21,24,25,23,18,22,26,14,13,11,5,7,4,17,10,3,15,12,6,9,2,16/E:(4,5)(9,10)/rA:26COCCCNCCOCCNCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d7;s6;d10;s11;d12;s13;s10d14;s15;s16;d17;s18;d19;s20;s17d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL924988,PMID:18067245,2008.0,PMID:18067245,2008,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DHZBNHMEIOBPAE_on_P18505_WT,Low,ChEMBL30,CHEMBL2068817,COc1c(CN(C(C)=O)c2cnccc2Oc2ccccc2)cccc1,DHZBNHMEIOBPAE,DHZBNHMEIOBPAE-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3","""AuxInfo=1/0/N:8,1,20,19,21,24,25,23,18,22,26,14,13,11,5,7,4,17,10,3,15,12,6,9,2,16/E:(4,5)(9,10)/rA:26COCCCNCCOCCNCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d7;s6;d10;s11;d12;s13;s10d14;s15;s16;d17;s18;d19;s20;s17d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL924988,PMID:18067245,2008.0,PMID:18067245,2008,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DHZBNHMEIOBPAE_on_P47869_WT,Low,ChEMBL30,CHEMBL2068817,COc1c(CN(C(C)=O)c2cnccc2Oc2ccccc2)cccc1,DHZBNHMEIOBPAE,DHZBNHMEIOBPAE-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3","""AuxInfo=1/0/N:8,1,20,19,21,24,25,23,18,22,26,14,13,11,5,7,4,17,10,3,15,12,6,9,2,16/E:(4,5)(9,10)/rA:26COCCCNCCOCCNCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d7;s6;d10;s11;d12;s13;s10d14;s15;s16;d17;s18;d19;s20;s17d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL924987,PMID:18067245,2008.0,PMID:18067245,2008,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DHZBNHMEIOBPAE_on_Q16445_WT,Low,ChEMBL30,CHEMBL2068817,COc1c(CN(C(C)=O)c2cnccc2Oc2ccccc2)cccc1,DHZBNHMEIOBPAE,DHZBNHMEIOBPAE-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3","""AuxInfo=1/0/N:8,1,20,19,21,24,25,23,18,22,26,14,13,11,5,7,4,17,10,3,15,12,6,9,2,16/E:(4,5)(9,10)/rA:26COCCCNCCOCCNCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d7;s6;d10;s11;d12;s13;s10d14;s15;s16;d17;s18;d19;s20;s17d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL924990,PMID:18067245,2008.0,PMID:18067245,2008,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DIAFBFSXYSSZKC_on_P18507_WT,Low,ChEMBL30,CHEMBL584469,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(ccc(F)c3)-n2cn1,DIAFBFSXYSSZKC,DIAFBFSXYSSZKC-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,14,15,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(3,4)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-DIAFBFSXYSSZKC_on_P28472_WT,Low,ChEMBL30,CHEMBL584469,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(ccc(F)c3)-n2cn1,DIAFBFSXYSSZKC,DIAFBFSXYSSZKC-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,14,15,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(3,4)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-DIAFBFSXYSSZKC_on_P31644_WT,Low,ChEMBL30,CHEMBL584469,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(ccc(F)c3)-n2cn1,DIAFBFSXYSSZKC,DIAFBFSXYSSZKC-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2/c1-2-27-20(26)18-16-7-12-9-22-19(11-3-4-11)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,14,15,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(3,4)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-DICFMFBRWFOXGZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109021,Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(OC(F)(F)F)c3)n2)cc(C)n1,DICFMFBRWFOXGZ,DICFMFBRWFOXGZ-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-9-17(10-14(2)26-13)20-19-7-8-29-15(3)12-28(19)21(27-20)16-5-4-6-18(11-16)30-22(23,24)25/h4-6,9-11,15H,7-8,12H2,1-3H3","""AuxInfo=1/0/N:1,29,11,17,16,18,7,8,3,27,25,12,2,28,10,15,4,19,6,5,14,21,22,23,24,30,26,13,9,20/E:(1,2)(9,10)(13,14)(23,24,25)/rA:30CCCCCCCCOCCCNCCCCCCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;s21;s21;s15d19;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DIFKNKWHLBSBSJ_on_P41594_WT,High,ChEMBL30,CHEMBL2071582,COc1cc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1,DIFKNKWHLBSBSJ,DIFKNKWHLBSBSJ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3/c1-25-16-4-2-3-12(9-16)18-21-19(26-22-18)13-10-17(24)23(11-13)15-7-5-14(20)6-8-15/h2-9,13H,10-11H2,1H3","""AuxInfo=1/0/N:1,25,24,26,17,20,16,21,4,11,22,5,10,18,15,3,12,6,9,19,23,7,14,13,2,8/E:(5,6)(7,8)/rA:26COCCCCNOCCCCONCCCCFCCCNCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;s10s14;s6d9;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-DIJBBUIOWGGQOP_on_O15399_WT,High,ChEMBL30,CHEMBL1179605,CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,DIJBBUIOWGGQOP,DIJBBUIOWGGQOP-UHFFFAOYSA-N,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309015,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-DIJBBUIOWGGQOP_on_Q12879_WT,High,ChEMBL30,CHEMBL1179605,CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,DIJBBUIOWGGQOP,DIJBBUIOWGGQOP-UHFFFAOYSA-N,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309009;CHEMBL4309012,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  4.680;  4.470,4.575,0.105,0.105,2.0,4.575,0.105
-DIJBBUIOWGGQOP_on_Q13224_WT,High,ChEMBL30,CHEMBL1179605,CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,DIJBBUIOWGGQOP,DIJBBUIOWGGQOP-UHFFFAOYSA-N,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309010;CHEMBL4309013,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  4.480;  4.200,4.34,0.14,0.14,2.0,4.34,0.14
-DIJBBUIOWGGQOP_on_Q14957_WT,High,ChEMBL30,CHEMBL1179605,CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,DIJBBUIOWGGQOP,DIJBBUIOWGGQOP-UHFFFAOYSA-N,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;w?10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309014,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  4.080,4.08,0.0,0.0,1.0,4.08,0.0
-DIJFBHBUISNWEJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3929786,Fc1cc(F)c(COC2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,DIJFBHBUISNWEJ,DIJFBHBUISNWEJ-UHFFFAOYSA-N,"InChI=1S/C24H25F5N4O/c25-18-4-3-17(20(26)12-18)14-34-19-6-8-32(9-7-19)13-16-5-10-33-21(11-15-1-2-15)30-31-23(33)22(16)24(27,28)29/h3-5,10,12,15,19H,1-2,6-9,11,13-14H2","""AuxInfo=1/0/N:26,27,33,34,30,10,32,11,31,29,24,3,13,7,25,14,6,2,9,4,23,15,20,16,1,5,17,18,19,22,21,12,28,8/E:(1,2)(6,7)(8,9)(27,28,29)/rA:34FCCCFCCOCCCNCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s16;s16;s15;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s14d29;s12;s9s31;s6;s2d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-DILMDBKVKPVPRX_on_O15399_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_O60391_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_Q12879_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILMDBKVKPVPRX_on_Q14957_WT,Low,ChEMBL30,CHEMBL1191954,NC1=NCCN1c1ccccc1,DILMDBKVKPVPRX,DILMDBKVKPVPRX-UHFFFAOYSA-N,"InChI=1S/C9H11N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)","""AuxInfo=1/1/N:10,9,11,8,12,4,5,7,2,1,3,6/E:(2,3)(4,5)/rA:12NCNCCNCCCCCC/rB:s1;w?2;s3;s4;s2s5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DILVTYCNFSLKBB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3892535,CCc1c(S(=O)(=O)Cc2c(F)cccc2Cl)sc(NC(=O)c2ccccn2)n1,DILVTYCNFSLKBB,DILVTYCNFSLKBB-UHFFFAOYSA-N,"InChI=1S/C18H15ClFN3O3S2/c1-2-14-17(28(25,26)10-11-12(19)6-5-7-13(11)20)27-18(22-14)23-16(24)15-8-3-4-9-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,13,14,12,23,26,8,9,15,10,3,22,20,4,18,16,11,27,28,19,21,6,7,17,5/E:(25,26)/CRV:28.6/rA:28CCCCSOOCCCFCCCCClSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;s10;d12;s13;s9d14;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-DINILBUSTAPYDB_on_P41594_WT,High,ChEMBL30,CHEMBL3672908,CC(C)c1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1,DINILBUSTAPYDB,DINILBUSTAPYDB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,3,24,8,23,9,22,19,16,2,17,6,13,7,21,4,11,18,20,5,14,10,15,12,25/E:(1,2)/rA:25CCCCNCCCCNCOCNNCCBrCNCCCCS/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;s17;d19;s15s20;s13d21;s10;s6s23;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-DINTXTDBANVGIA_on_O15399_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.000;  6.800,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_O60391_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.000;  6.800,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.800;  7.000,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_Q05586_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.800;  7.000,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_Q12879_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.000;  6.800,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_Q13224_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.000;  6.800,6.9,0.1,0.1,2.0,6.9,0.1
-DINTXTDBANVGIA_on_Q14957_WT,Low,ChEMBL30,CHEMBL133531,CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DINTXTDBANVGIA,DINTXTDBANVGIA-UHFFFAOYSA-N,"InChI=1S/C21H31NO/c1-3-4-13-23-17-9-8-16-14-20-18-7-5-6-10-21(18,19(16)15-17)11-12-22(20)2/h8-9,15,18,20H,3-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,3,16,17,15,10,11,18,20,21,4,12,7,9,6,14,8,13,19,22,5/rA:23CCCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s8s14s18;s19;s20;s13s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.000;  6.800,6.9,0.1,0.1,2.0,6.9,0.1
-DIQJAGFOKWRTRP_on_P41594_WT,High,ChEMBL30,CHEMBL2151495,O=C(C1CCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,DIQJAGFOKWRTRP,DIQJAGFOKWRTRP-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c17-13-6-2-5-11(7-13)14-18-15(22-19-14)12-8-20(9-12)16(21)10-3-1-4-10/h2,5-7,10,12H,1,3-4,8-9H2","""AuxInfo=1/0/N:5,15,4,6,14,16,19,8,22,3,13,9,17,12,10,2,18,11,20,7,1,21/E:(3,4)(8,9)/rA:22OCCCCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s10s20;s7s9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-DIWAJQNYTVAWMY_on_O15399_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.890;  7.050,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_O60391_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.890;  7.050,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.890;  7.050,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_Q05586_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.050;  6.890,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_Q12879_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.050;  6.890,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_Q13224_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  7.050;  6.890,6.97,0.08,0.08,2.0,6.97,0.08
-DIWAJQNYTVAWMY_on_Q14957_WT,Low,ChEMBL30,CHEMBL435790,CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C,DIWAJQNYTVAWMY,DIWAJQNYTVAWMY-UHFFFAOYSA-N,"InChI=1S/C19H27NO/c1-3-21-15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-20(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,20,3/rA:21CCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.890;  7.050,6.97,0.08,0.08,2.0,6.97,0.08
-DIWVNJFXRKZAGI_on_Q14416_WT,High,ChEMBL30,CHEMBL334014,NC1(C(=O)O)C(F)CC2C(C(=O)O)C21,DIWVNJFXRKZAGI,DIWVNJFXRKZAGI-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,7,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCFCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4708732,PMID:32698110,2020.0,PMID:32698110,2020,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DIWVNJFXRKZAGI_on_Q14832_WT,High,ChEMBL30,CHEMBL334014,NC1(C(=O)O)C(F)CC2C(C(=O)O)C21,DIWVNJFXRKZAGI,DIWVNJFXRKZAGI-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,7,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCFCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4708733,PMID:32698110,2020.0,PMID:32698110,2020,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-DIZWSOBUDULKCT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3963451,CC1(C)CC(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C1,DIZWSOBUDULKCT,DIZWSOBUDULKCT-UHFFFAOYSA-N,"InChI=1S/C19H17FN2O/c1-19(2)11-18(23)22(13-19)17-9-8-15(12-21-17)7-6-14-4-3-5-16(20)10-14/h3-5,8-10,12H,11,13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,10,9,20,4,21,23,14,11,18,8,5,2,19,22,7,6/E:(1,2)/rA:23CCCCCONCCCCCCCCCCCFCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-DJDSNSBUMZEBDK_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,45484871;CHEMBL568449,Cc1c(-c2ccc(C(=O)OC(C)C)cc2)nnn1-c1cnccc1,DJDSNSBUMZEBDK,DJDSNSBUMZEBDK-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-12(2)24-18(23)15-8-6-14(7-9-15)17-13(3)22(21-20-17)16-5-4-10-19-11-16/h4-12H,1-3H3","""AuxInfo=1/0/N:12,13,1,23,24,5,15,6,14,22,20,11,2,4,7,19,3,8,21,16,17,18,9,10/E:(1,2)(6,7)(8,9)/rA:24CCCCCCCCOOCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s7;s4d14;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923;CHEMBL1038283,PMID:19692242,2009.0,PubChemAID:446923;PMID:19692242,2010;2009,0;1,0,0,0,1;0,,=,  7.481;  7.480,7.481,0.0,0.0,2.0,7.481,0.0
-DJGLMCQEPLECRV_on_Q13255_WT,High,ChEMBL30,CHEMBL2397378,CC1CN(c2c(C#N)cccc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,DJGLMCQEPLECRV,DJGLMCQEPLECRV-UHFFFAOYSA-N,"InChI=1S/C23H29N3O/c1-16-15-25(21-5-3-2-4-20(21)14-24)6-7-26(16)22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,16-19H,6-13,15H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,13,14,21,23,25,27,19,26,7,3,2,22,20,24,6,5,16,18,8,4,15,17/E:(8,9,10)(11,12,13)(17,18,19)/rA:27CCCNCCCNCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;t7;s6;d9;s10;s5d11;s4;s13;s2s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.580;  6.580,6.58,0.0,0.0,2.0,6.58,0.0
-DJJCAFFBYJWYOB_on_P41594_WT,Low,ChEMBL30,CHEMBL3660261,O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1,DJJCAFFBYJWYOB,DJJCAFFBYJWYOB-UHFFFAOYSA-N,"InChI=1S/C17H20N4O2/c22-17(21-13-5-3-1-2-4-6-13)16-9-14(7-8-20-16)23-15-10-18-12-19-11-15/h7-13H,1-6H2,(H,21,22)","""AuxInfo=1/1/N:7,8,6,9,5,10,21,22,12,16,20,18,4,13,15,11,2,17,19,23,3,1,14/E:(1,2)(3,4)(5,6)(10,11)(18,19)/rA:23OCNCCCCCCCCCCOCCNCNCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-DJOSDAVAKRFGJX_on_O15399_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_O60391_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_Q05586_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_Q12879_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_Q13224_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJOSDAVAKRFGJX_on_Q14957_WT,Low,ChEMBL30,CHEMBL352819,c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1,DJOSDAVAKRFGJX,DJOSDAVAKRFGJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,24,19,18,3,23,20,17,8,14,9,13,22,5,21,4,15,16,7,11,10,6,12/E:(2,3)(6,7)/rA:24CCCCCNCCCNCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DJQYBCUFGZTQSR_on_O15399_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_O60391_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_Q05586_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_Q12879_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_Q13224_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJQYBCUFGZTQSR_on_Q14957_WT,Low,ChEMBL30,CHEMBL403278,N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1,DJQYBCUFGZTQSR,DJQYBCUFGZTQSR-UHFFFAOYSA-N,"InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)","""AuxInfo=1/1/N:8,9,18,17,6,11,7,10,2,14,1,3,15,16,5,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)/gE:(1,2)/rA:18NCNNNCCCCCCNNCNNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;w?11;s12;w?13;s14;s14;s10;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-DJTHQUHWJSVHFA_on_Q14833_WT,High,ChEMBL30,CHEMBL4242145,Cc1nn(C(C)C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,DJTHQUHWJSVHFA,DJTHQUHWJSVHFA-UHFFFAOYSA-N,"InChI=1S/C17H18N6/c1-10(2)23-15-9-12(6-7-13(15)11(3)22-23)19-17-16-14(20-21-17)5-4-8-18-16/h4-10H,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:6,7,1,18,19,11,10,17,23,5,2,12,9,20,8,15,14,16,13,21,22,3,4/E:(1,2)/rA:23CCNNCCCCCCCCNCCNCCCCNNC/rB:s1;d2;s3;s4;s5;s5;s4;s2d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DJWNWHNVQNUTBT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3915181,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCS(=O)(=O)C(C4CC4)C2)c3)cn1,DJWNWHNVQNUTBT,DJWNWHNVQNUTBT-UHFFFAOYSA-N,"InChI=1S/C22H25N5O3S/c1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-31(29,30)21(13-27)15-3-4-15/h2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,26,27,14,19,20,29,6,30,17,3,28,16,25,4,13,5,12,7,24,8,9,31,11,2,18,10,22,23,21/E:(3,4)(29,30)/CRV:31.6/rA:31CNCCCCCCNONCCCCCCNCCSOOCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;d21;d21;s21;s24;s25;s25s26;s18s24;s12d16;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-DJZFVYFKKWLWNN_on_P41594_WT,Low,ChEMBL30,CHEMBL224672,CC1CCCCC1n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,DJZFVYFKKWLWNN,DJZFVYFKKWLWNN-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-6-4-5-7-12(11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,18,19,4,5,3,6,20,21,9,2,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(2,3)/rA:24CCCCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DJZFVYFKKWLWNN_on_Q13255_WT,High,ChEMBL30,CHEMBL224672,CC1CCCCC1n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,DJZFVYFKKWLWNN,DJZFVYFKKWLWNN-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-6-4-5-7-12(11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,18,19,4,5,3,6,20,21,9,2,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(2,3)/rA:24CCCCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-DJZLJDGUYAGQIY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2071568;25145895,Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1,DJZLJDGUYAGQIY,DJZLJDGUYAGQIY-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,3,25,4,24,18,21,7,2,12,8,16,5,22,11,9,17,10,19,6,23,20/E:(5,6)(7,8)/rA:25CCCCCNCCCNCCCCCCClCNOCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s9s19;s8;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730;PubChemAID:676851,PMID:22832311,2012.0,PMID:22832311;PubChemAID:676851,2012;2013,0,1;0,0,0,0;1,,=,  6.200;  6.201,6.2,0.0,0.0,2.0,6.2,0.0
-DKAGCDSWFBUTQH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800406,CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12,DKAGCDSWFBUTQH,DKAGCDSWFBUTQH-UHFFFAOYSA-N,"InChI=1S/C18H19FN4O2S/c1-4-20-17(25)16-11(2)26-18-21-13(9-15(24)23(16)18)10-22(3)14-7-5-12(19)6-8-14/h5-9H,4,10H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,8,15,2,18,21,17,22,23,13,7,19,12,16,24,6,4,10,20,3,11,14,26,25,5,9/E:(5,6)(7,8)/rA:26CCNCOCCCSCNCCNCCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s14;d16;s17;d18;s19;s19;s16d21;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-DKAGCDSWFBUTQH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800406,CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12,DKAGCDSWFBUTQH,DKAGCDSWFBUTQH-UHFFFAOYSA-N,"InChI=1S/C18H19FN4O2S/c1-4-20-17(25)16-11(2)26-18-21-13(9-15(24)23(16)18)10-22(3)14-7-5-12(19)6-8-14/h5-9H,4,10H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,8,15,2,18,21,17,22,23,13,7,19,12,16,24,6,4,10,20,3,11,14,26,25,5,9/E:(5,6)(7,8)/rA:26CCNCOCCCSCNCCNCCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s14;d16;s17;d18;s19;s19;s16d21;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-DKASLOPISBVXCX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164559;9948499,FC(F)(F)Oc1cc(-c2nc(-c3ncccc3)no2)ccc1,DKASLOPISBVXCX,DKASLOPISBVXCX-UHFFFAOYSA-N,"InChI=1S/C14H8F3N3O2/c15-14(16,17)21-10-5-3-4-9(8-10)13-19-12(20-22-13)11-6-1-2-7-18-11/h1-8H","""AuxInfo=1/0/N:16,15,21,20,22,17,14,7,8,6,12,11,9,2,1,3,4,13,10,18,5,19/E:(15,16,17)/rA:22FCFFOCCCCNCCNCCCCNOCCC/rB:s1;s2;s2;s2;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;d8;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  6.160;  6.155,6.1579999999999995,0.003,0.003,2.0,6.1579999999999995,0.002
-DKCAUMRZSZVJCP_on_O00591_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_O14764_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P14867_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P18505_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P18507_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P28472_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P31644_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P34903_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P47869_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P47870_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P48169_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_P78334_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_Q16445_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCAUMRZSZVJCP_on_Q99928_WT,Low,ChEMBL30,CHEMBL59263,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2,DKCAUMRZSZVJCP,DKCAUMRZSZVJCP-UHFFFAOYSA-N,InChI=1S/C15H8ClNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DKCGCBGBZSYTNQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3758683,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ncs1,DKCGCBGBZSYTNQ,DKCGCBGBZSYTNQ-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O3S/c1-10-16(21-9-27-10)17(24)22-11-6-7-15(14(20)8-11)23-18(25)12-4-2-3-5-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,24,26,2,7,15,14,22,10,3,4,20,12,23,25,6,11,5,21,13,27/E:(2,3)(4,5)(12,13)(18,19)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.250;  7.230,7.24,0.01,0.01,2.0,7.24,0.01
-DKCZEEORGGECFJ_on_P41594_WT,High,ChEMBL30,CHEMBL3644405,O=C1CN=C(n2cnc(C3(O)CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,DKCZEEORGGECFJ,DKCZEEORGGECFJ-UHFFFAOYSA-N,"InChI=1S/C22H22N4O2/c27-21-11-23-20(25-12-19(24-13-25)22(28)7-8-22)10-18-17-3-1-2-15(14-4-5-14)16(17)6-9-26(18)21/h1-3,10,12-14,28H,4-9,11H2","""AuxInfo=1/0/N:27,26,28,24,25,19,12,13,20,15,3,14,7,23,22,18,17,16,9,5,2,10,4,8,6,21,1,11/E:(4,5)(7,8)/rA:28OCCNCNCNCCOCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s23s24;d22;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-DKCZEEORGGECFJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644405,O=C1CN=C(n2cnc(C3(O)CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,DKCZEEORGGECFJ,DKCZEEORGGECFJ-UHFFFAOYSA-N,"InChI=1S/C22H22N4O2/c27-21-11-23-20(25-12-19(24-13-25)22(28)7-8-22)10-18-17-3-1-2-15(14-4-5-14)16(17)6-9-26(18)21/h1-3,10,12-14,28H,4-9,11H2","""AuxInfo=1/0/N:27,26,28,24,25,19,12,13,20,15,3,14,7,23,22,18,17,16,9,5,2,10,4,8,6,21,1,11/E:(4,5)(7,8)/rA:28OCCNCNCNCCOCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s23s24;d22;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-DKCZHEWSLPBXCX_on_O14764_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-DKCZHEWSLPBXCX_on_P14867_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-DKCZHEWSLPBXCX_on_P18507_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-DKCZHEWSLPBXCX_on_P28472_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-DKCZHEWSLPBXCX_on_P47870_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-DKCZHEWSLPBXCX_on_P48169_WT,Low,ChEMBL30,CHEMBL4062424,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,DKCZHEWSLPBXCX,DKCZHEWSLPBXCX-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,5,2,15,22,23,12,11,8,6,17,26,28,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-DKDJBHXKPNNQGW_on_Q14416_WT,High,ChEMBL30,CHEMBL185392,Cc1c(OCc2cc(CSc3ccncc3)ccc2)ccc(C(=O)CC(C)C)c1O,DKDJBHXKPNNQGW,DKDJBHXKPNNQGW-UHFFFAOYSA-N,"InChI=1S/C25H27NO3S/c1-17(2)13-23(27)22-7-8-24(18(3)25(22)28)29-15-19-5-4-6-20(14-19)16-30-21-9-11-26-12-10-21/h4-12,14,17,28H,13,15-16H2,1-3H3","""AuxInfo=1/0/N:27,28,1,18,19,17,21,20,12,16,13,15,25,7,5,9,26,2,6,8,11,22,23,3,29,14,24,30,4,10/E:(1,2)(9,10)(11,12)/rA:30CCCOCCCCCSCCCNCCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;s3;d20;s21;s22;d23;s23;s25;s26;s26;s2d22;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-DKFKQAMMMLDNJC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628084,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cnco1,DKFKQAMMMLDNJC,DKFKQAMMMLDNJC-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O4/c19-13-7-10(21-16(23)15-8-20-9-26-15)5-6-14(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,25,4,12,11,19,7,22,2,17,9,20,24,3,8,1,18,10,26/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCNCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-DKGDFKPMYBEJSV_on_Q05586_WT,Low,ChEMBL30,CHEMBL390304,NCCCNCCCCNCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,DKGDFKPMYBEJSV,DKGDFKPMYBEJSV-UHFFFAOYSA-N,"InChI=1S/C25H35N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-14,27-28H,5-8,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:26,29,25,30,7,8,3,12,27,28,24,31,21,20,2,6,9,4,11,13,22,19,23,18,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;w?20;s21;s17d22;s23;d24;s25;s22d26;s19;d28;s29;s18d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.700;  6.690,6.695,0.005,0.005,2.0,6.695,0.005
-DKGDFKPMYBEJSV_on_Q12879_WT,Low,ChEMBL30,CHEMBL390304,NCCCNCCCCNCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,DKGDFKPMYBEJSV,DKGDFKPMYBEJSV-UHFFFAOYSA-N,"InChI=1S/C25H35N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-14,27-28H,5-8,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:26,29,25,30,7,8,3,12,27,28,24,31,21,20,2,6,9,4,11,13,22,19,23,18,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;w?20;s21;s17d22;s23;d24;s25;s22d26;s19;d28;s29;s18d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-DKGDFKPMYBEJSV_on_Q13224_WT,Low,ChEMBL30,CHEMBL390304,NCCCNCCCCNCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,DKGDFKPMYBEJSV,DKGDFKPMYBEJSV-UHFFFAOYSA-N,"InChI=1S/C25H35N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-14,27-28H,5-8,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:26,29,25,30,7,8,3,12,27,28,24,31,21,20,2,6,9,4,11,13,22,19,23,18,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;w?20;s21;s17d22;s23;d24;s25;s22d26;s19;d28;s29;s18d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-DKGNVZCCGONMPI_on_P41594_WT,High,ChEMBL30,CHEMBL2069394,O=C1COc2c(cccc2)N1Cc1nc(-c2cccc(Cl)c2)no1,DKGNVZCCGONMPI,DKGNVZCCGONMPI-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O3/c18-12-5-3-4-11(8-12)17-19-15(24-20-17)9-21-13-6-1-2-7-14(13)23-10-16(21)22/h1-8H,9-10H2","""AuxInfo=1/0/N:8,9,18,17,19,7,10,22,12,3,16,20,6,5,13,2,15,21,14,23,11,1,4,24/rA:24OCCOCCCCCCNCCNCCCCCCClCNO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2s6;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-DKKGNLLQEOAOHC_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL424795;11545979,Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O,DKKGNLLQEOAOHC,DKKGNLLQEOAOHC-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16(2)14-22(26)21-8-9-23(17(3)24(21)27)28-15-18-4-6-19(7-5-18)29-20-10-12-25-13-11-20/h4-13,16,27H,14-15H2,1-3H3","""AuxInfo=1/0/N:26,27,1,7,18,8,17,20,19,12,16,13,15,24,5,25,2,6,9,11,21,22,3,28,14,23,29,4,10/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:29CCCOCCCCCSCCCNCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6d17;s3;d19;s20;s21;d22;s22;s24;s25;s25;s2d21;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  5.970;  5.975,5.973,0.002,0.002,2.0,5.973,0.002
-DKKIMUKRHSOGAB_on_P41594_WT,Low,ChEMBL30,CHEMBL1784067,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,DKKIMUKRHSOGAB,DKKIMUKRHSOGAB-UHFFFAOYSA-N,"InChI=1S/C17H10ClN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCClCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-DKKIMUKRHSOGAB_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784067;54584891,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,DKKIMUKRHSOGAB,DKKIMUKRHSOGAB-UHFFFAOYSA-N,"InChI=1S/C17H10ClN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCClCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  8.520;  8.523,8.521,0.002,0.002,2.0,8.521,0.002
-DKNMAFSTNVCRBZ_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152120;58103890,OC1CCC(Nc2ccc(-c3c(Cl)c4ncc(CC(F)(F)F)n4cc3)cc2Cl)CC1,DKNMAFSTNVCRBZ,DKNMAFSTNVCRBZ-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2","""AuxInfo=1/0/N:9,4,29,3,30,8,25,24,26,18,16,10,5,17,2,11,27,7,12,14,19,28,13,20,21,22,15,6,23,1/E:(2,3)(4,5)(24,25,26)/rA:30OCCCCNCCCCCCClCNCCCCFFFNCCCCClCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s12;d14;s15;d16;s17;s18;s19;s19;s19;s14s17;s23;s11d24;s10;s7d26;s27;s5;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  6.820;  6.824,6.822,0.002,0.002,2.0,6.822,0.002
-DKNWSYNQZKUICI_on_O15399_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-DKNWSYNQZKUICI_on_O60391_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-DKNWSYNQZKUICI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-DKNWSYNQZKUICI_on_Q05586_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3598769;CHEMBL761030,PMID:9464369,1998.0,PMID:26145819;PMID:9464369,2015;1998,0,0,0,1,0,,=,  5.000;  4.980,4.99,0.01,0.01,2.0,4.99,0.01
-DKNWSYNQZKUICI_on_Q12879_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3598769;CHEMBL761030,PMID:9464369,1998.0,PMID:26145819;PMID:9464369,2015;1998,0,0,0,1,0,,=,  5.000;  4.980,4.99,0.01,0.01,2.0,4.99,0.01
-DKNWSYNQZKUICI_on_Q13224_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-DKNWSYNQZKUICI_on_Q14957_WT,Low,ChEMBL30,CHEMBL660,NC12CC3CC(CC(C3)C1)C2,DKNWSYNQZKUICI,DKNWSYNQZKUICI-UHFFFAOYSA-N,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2","""AuxInfo=1/0/N:5,7,9,11,3,10,6,4,8,2,1/E:(1,2,3)(4,5,6)(7,8,9)/rA:11NCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2s8;s2s6;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-DKSWXNFPYZCJFU_on_P14867_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-DKSWXNFPYZCJFU_on_P18507_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.410;  8.550;  8.280;  7.960,8.55,0.539,0.311,4.0,8.415,0.295
-DKSWXNFPYZCJFU_on_P28472_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550;  9.410;  8.280;  7.960,8.55,0.539,0.311,4.0,8.415,0.295
-DKSWXNFPYZCJFU_on_P31644_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-DKSWXNFPYZCJFU_on_P34903_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-DKSWXNFPYZCJFU_on_P47869_WT,Low,ChEMBL30,CHEMBL179712,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,DKSWXNFPYZCJFU,DKSWXNFPYZCJFU-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,4,27,24,13,6,22,23,12,21,9,5,3,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-DKUNGJZSUMCVMS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289733,Oc1ccc2c(c1)CCN(C1COC(c3ccccc3)OC1)CC2O,DKUNGJZSUMCVMS,DKUNGJZSUMCVMS-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c22-17-6-7-18-15(10-17)8-9-21(11-19(18)23)16-12-24-20(25-13-16)14-4-2-1-3-5-14/h1-7,10,16,19-20,22-23H,8-9,11-13H2","""AuxInfo=1/0/N:18,17,19,16,20,3,4,8,9,7,23,12,22,15,6,11,2,5,24,14,10,1,25,13,21/E:(2,3)(4,5)(12,13)(24,25)/rA:25OCCCCCCCCNCCOCCCCCCCOCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;s5s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DKUNGJZSUMCVMS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289733,Oc1ccc2c(c1)CCN(C1COC(c3ccccc3)OC1)CC2O,DKUNGJZSUMCVMS,DKUNGJZSUMCVMS-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c22-17-6-7-18-15(10-17)8-9-21(11-19(18)23)16-12-24-20(25-13-16)14-4-2-1-3-5-14/h1-7,10,16,19-20,22-23H,8-9,11-13H2","""AuxInfo=1/0/N:18,17,19,16,20,3,4,8,9,7,23,12,22,15,6,11,2,5,24,14,10,1,25,13,21/E:(2,3)(4,5)(12,13)(24,25)/rA:25OCCCCCCCCNCCOCCCCCCCOCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;s5s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DKUXSCIUWREULD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3942629,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(F)(F)C2)c3)cn1,DKUXSCIUWREULD,DKUXSCIUWREULD-UHFFFAOYSA-N,"InChI=1S/C20H21F2N5O/c1-26-11-14(9-24-26)16-8-18(19(23)28)25-17-7-13(3-4-15(16)17)10-27-6-2-5-20(21,22)12-27/h3-4,7-9,11H,2,5-6,10,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,20,15,14,21,19,26,6,27,17,3,25,16,4,13,5,12,7,8,22,23,24,9,28,11,2,18,10/E:(21,22)/rA:28CNCCCCCCNONCCCCCCNCCCCFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s22;s18s22;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-DKVPZAWYFAHXFF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901358,CN1CCCCC(c2ccc(C#Cc3cccc(F)c3)cn2)C1=O,DKVPZAWYFAHXFF,DKVPZAWYFAHXFF-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-23-12-3-2-7-18(20(23)24)19-11-10-16(14-22-19)9-8-15-5-4-6-17(21)13-15/h4-6,10-11,13-14,18H,2-3,7,12H2,1H3","""AuxInfo=1/0/N:1,5,4,16,15,17,6,13,12,10,9,3,20,21,14,11,18,7,8,23,19,22,2,24/rA:24CNCCCCCCCCCCCCCCCCFCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-DLCTXPGSSFTQPB_on_P41594_WT,High,ChEMBL30,CHEMBL2335285,COc1c2ccc(C#Cc3cnccc3)nc2ccc1,DLCTXPGSSFTQPB,DLCTXPGSSFTQPB-UHFFFAOYSA-N,"InChI=1S/C17H12N2O/c1-20-17-6-2-5-16-15(17)10-9-14(19-16)8-7-13-4-3-11-18-12-13/h2-6,9-12H,1H3","""AuxInfo=1/0/N:1,19,14,15,18,20,9,8,6,5,13,11,10,7,4,17,3,12,16,2/rA:20COCCCCCCCCCNCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s4s16;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2345731,PMID:23333207,2013.0,PMID:23333207,2013,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-DLCURRAFWAXUPF_on_P14867_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-DLCURRAFWAXUPF_on_P18507_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.600;  6.420;  6.480,6.5,0.075,0.053,3.0,6.48,0.06
-DLCURRAFWAXUPF_on_P28472_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.480;  6.420;  6.600,6.5,0.075,0.053,3.0,6.48,0.06
-DLCURRAFWAXUPF_on_P31644_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DLCURRAFWAXUPF_on_P34903_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-DLCURRAFWAXUPF_on_P47869_WT,Low,ChEMBL30,CHEMBL299061,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1,DLCURRAFWAXUPF,DLCURRAFWAXUPF-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,22,23,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20s23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DLDXPEVIBANPLO_on_Q14416_WT,Low,ChEMBL30,CHEMBL396319,NC(C(=O)O)C1C(c2ccccc2)C1P(=O)(O)O,DLDXPEVIBANPLO,DLDXPEVIBANPLO-UHFFFAOYSA-N,"InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:11,10,12,9,13,8,7,6,2,14,3,1,4,5,16,17,18,15/E:(2,3)(4,5)(13,14)(15,16,17)/rA:18NCCOOCCCCCCCCCPOOO/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;s11;s8d12;s6s7;s14;d15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL892218,PMID:17350267,2007.0,PMID:17350267,2007,0,1,0,0,0,,=,  3.495,3.495,0.0,0.0,1.0,3.495,0.0
-DLDYPQGKBKYAMY_on_P41594_WT,High,ChEMBL30,CHEMBL272585,CNC(=O)c1cn2cc(C)nc(C#Cc3cccc(C(F)(F)F)c3)c2c1,DLDYPQGKBKYAMY,DLDYPQGKBKYAMY-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O/c1-12-10-25-11-14(18(26)23-2)9-17(25)16(24-12)7-6-13-4-3-5-15(8-13)19(20,21)22/h3-5,8-11H,1-2H3,(H,23,26)","""AuxInfo=1/1/N:10,1,17,16,18,14,13,24,26,8,6,9,15,5,19,12,25,3,20,21,22,23,2,11,7,4/E:(20,21,22)/rA:26CNCOCCNCCCNCCCCCCCCCFFFCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;t13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s15d19;s7s12;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-DLEWDNHPWLPKDJ_on_P14867_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-DLEWDNHPWLPKDJ_on_P18507_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058329;CHEMBL3058331;CHEMBL3058332;CHEMBL3058330;CHEMBL3058328;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.760;  7.260;  7.030;  7.190;  8.160;  6.540,7.157,0.512,0.22899999999999998,6.0,7.11,0.25
-DLEWDNHPWLPKDJ_on_P28472_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058332;CHEMBL3058327;CHEMBL3058331;CHEMBL3058329;CHEMBL3058330;CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.030;  6.540;  7.260;  6.760;  7.190;  8.160,7.157,0.512,0.22899999999999998,6.0,7.11,0.25
-DLEWDNHPWLPKDJ_on_P31644_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.160,8.16,0.0,0.0,1.0,8.16,0.0
-DLEWDNHPWLPKDJ_on_P34903_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-DLEWDNHPWLPKDJ_on_P47869_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-DLEWDNHPWLPKDJ_on_P48169_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-DLEWDNHPWLPKDJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261633,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,DLEWDNHPWLPKDJ,DLEWDNHPWLPKDJ-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h2,5-6,8,10,14H,1,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-DLGWSCNXWHDMHZ_on_P14867_WT,Low,ChEMBL30,CHEMBL48403,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21,DLGWSCNXWHDMHZ,DLGWSCNXWHDMHZ-UHFFFAOYSA-N,"InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677023,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.660,9.66,0.0,0.0,1.0,9.66,0.0
-DLGWSCNXWHDMHZ_on_P18507_WT,Low,ChEMBL30,CHEMBL48403,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21,DLGWSCNXWHDMHZ,DLGWSCNXWHDMHZ-UHFFFAOYSA-N,"InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677023;CHEMBL683023,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.660;  8.700,9.18,0.48,0.48,2.0,9.18,0.48
-DLGWSCNXWHDMHZ_on_P34903_WT,Low,ChEMBL30,CHEMBL48403,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21,DLGWSCNXWHDMHZ,DLGWSCNXWHDMHZ-UHFFFAOYSA-N,"InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683023,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DLGWSCNXWHDMHZ_on_P47870_WT,Low,ChEMBL30,CHEMBL48403,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21,DLGWSCNXWHDMHZ,DLGWSCNXWHDMHZ-UHFFFAOYSA-N,"InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677023;CHEMBL683023,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.660;  8.700,9.18,0.48,0.48,2.0,9.18,0.48
-DLHLOWZPQSHARU_on_P14867_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-DLHLOWZPQSHARU_on_P18507_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.620;  8.700;  7.550;  7.000,7.718,0.616,0.35600000000000004,4.0,7.585,0.31
-DLHLOWZPQSHARU_on_P28472_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000;  7.620;  8.700;  7.550,7.718,0.616,0.35600000000000004,4.0,7.585,0.31
-DLHLOWZPQSHARU_on_P31644_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DLHLOWZPQSHARU_on_P34903_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-DLHLOWZPQSHARU_on_P47869_WT,Low,ChEMBL30,CHEMBL362620,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1,DLHLOWZPQSHARU,DLHLOWZPQSHARU-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-DLNLCIFGMRPUKZ_on_Q14833_WT,High,ChEMBL30,CHEMBL3809183,O=C(Nc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccn1,DLNLCIFGMRPUKZ,DLNLCIFGMRPUKZ-UHFFFAOYSA-N,"InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-4-6-14(7-5-12)27(25,26)23-10-8-13(11-23)22-16(24)15-3-1-2-9-21-15/h1-11H,(H,22,24)","""AuxInfo=1/1/N:24,25,23,12,18,11,19,21,26,20,5,13,4,10,22,2,14,15,16,17,27,3,6,1,8,9,7/E:(4,5)(6,7)(18,19,20)(25,26)/CRV:27.6/rA:27OCNCCNSOOCCCCCFFFCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;s6;s4d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.130;  6.130,6.13,0.0,0.0,2.0,6.13,0.0
-DLQVIQMKTCLGMF_on_P41594_WT,High,ChEMBL30,CHEMBL3655590,N#Cc1cc(C(=O)Nc2cncc(Oc3cccnc3)n2)ccc1,DLQVIQMKTCLGMF,DLQVIQMKTCLGMF-UHFFFAOYSA-N,"InChI=1S/C17H11N5O2/c18-8-12-3-1-4-13(7-12)17(23)22-15-10-20-11-16(21-15)24-14-5-2-6-19-9-14/h1-7,9-11H,(H,21,22,23)","""AuxInfo=1/1/N:23,17,24,22,16,18,4,2,20,10,12,3,5,15,9,13,6,1,19,11,21,8,7,14/rA:24NCCCCCONCCNCCOCCCCNCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-DMBQCSRARMDJRI_on_P14867_WT,Medium,ChEMBL30,CHEMBL148740,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3)cn12,DMBQCSRARMDJRI,DMBQCSRARMDJRI-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c27-22-24-19-11-12-25(13-16-7-3-1-4-8-16)14-18(19)21-23-20(15-26(21)22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,27)","""AuxInfo=1/1/N:12,23,11,13,22,24,10,14,21,25,16,15,8,6,26,9,20,5,4,19,17,2,18,3,7,27,1/E:(3,4)(5,6)(7,8)(9,10)/rA:27OCNCCCNCCCCCCCCCCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s20d24;d19;s2s17s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-DMBQCSRARMDJRI_on_P47869_WT,Medium,ChEMBL30,CHEMBL148740,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3)cn12,DMBQCSRARMDJRI,DMBQCSRARMDJRI-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c27-22-24-19-11-12-25(13-16-7-3-1-4-8-16)14-18(19)21-23-20(15-26(21)22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,27)","""AuxInfo=1/1/N:12,23,11,13,22,24,10,14,21,25,16,15,8,6,26,9,20,5,4,19,17,2,18,3,7,27,1/E:(3,4)(5,6)(7,8)(9,10)/rA:27OCNCCCNCCCCCCCCCCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s20d24;d19;s2s17s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-DMCNDGJTXGMPGG_on_Q14416_WT,High,ChEMBL30,CHEMBL1094461,CCCCCCC1CN(c2cc(C(=O)OC)ccc2)C(=O)O1,DMCNDGJTXGMPGG,DMCNDGJTXGMPGG-UHFFFAOYSA-N,"InChI=1S/C17H23NO4/c1-3-4-5-6-10-15-12-18(17(20)22-15)14-9-7-8-13(11-14)16(19)21-2/h7-9,11,15H,3-6,10,12H2,1-2H3","""AuxInfo=1/0/N:1,16,2,3,4,5,18,17,19,6,11,8,12,10,7,13,20,9,14,21,15,22/rA:22CCCCCCCCNCCCCOOCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d13;s13;s15;d12;s17;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-DMEHFXOQCJVYEI_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647551,CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)c1,DMEHFXOQCJVYEI,DMEHFXOQCJVYEI-UHFFFAOYSA-N,"InChI=1S/C24H22FN5O2S/c1-14(2)30-13-27-23-21(12-28-29-24(23)30)16-5-8-22(25)20(10-16)19-7-6-18(9-17(19)11-26)33(31,32)15(3)4/h5-10,12-15H,1-4H3","""AuxInfo=1/0/N:1,3,27,28,14,21,20,15,29,33,31,11,5,2,26,13,30,22,19,18,12,16,7,8,17,32,6,10,9,4,24,25,23/E:(1,2)(3,4)(31,32)/CRV:33.6/rA:33CCCNCNCCNNCCCCCCFCCCCCSOOCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;s4d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s16;s18;d19;s20;d21;s22;d23;d23;s23;s26;s26;s22;s19d29;s30;t31;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-DMHMKPGXHJZNFO_on_P41594_WT,High,ChEMBL30,CHEMBL3644367,Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1,DMHMKPGXHJZNFO,DMHMKPGXHJZNFO-UHFFFAOYSA-N,"InChI=1S/C21H16F2N6O/c1-12-26-11-29(27-12)18-9-17-13-4-5-16(22)20(15-3-2-7-24-21(15)23)14(13)6-8-28(17)19(30)10-25-18/h2-5,7,9,11H,6,8,10H2,1H3","""AuxInfo=1/0/N:1,22,21,15,16,12,23,11,28,7,29,2,14,13,20,17,27,5,8,19,25,18,26,24,6,30,3,10,4,9/rA:30CCNNCNCCONCCCCCCCFCCCCCNCFCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s20d24;s25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-DMHMKPGXHJZNFO_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644367,Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1,DMHMKPGXHJZNFO,DMHMKPGXHJZNFO-UHFFFAOYSA-N,"InChI=1S/C21H16F2N6O/c1-12-26-11-29(27-12)18-9-17-13-4-5-16(22)20(15-3-2-7-24-21(15)23)14(13)6-8-28(17)19(30)10-25-18/h2-5,7,9,11H,6,8,10H2,1H3","""AuxInfo=1/0/N:1,22,21,15,16,12,23,11,28,7,29,2,14,13,20,17,27,5,8,19,25,18,26,24,6,30,3,10,4,9/rA:30CCNNCNCCONCCCCCCCFCCCCCNCFCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s20d24;s25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DMHNTPJBZAHQGU_on_P41594_WT,High,ChEMBL30,CHEMBL215702,COC(=O)c1cc(OCC#Cc2cccc(C)n2)cnc1,DMHNTPJBZAHQGU,DMHNTPJBZAHQGU-UHFFFAOYSA-N,"InChI=1S/C16H14N2O3/c1-12-5-3-6-14(18-12)7-4-8-21-15-9-13(10-17-11-15)16(19)20-2/h3,5-6,9-11H,8H2,1-2H3","""AuxInfo=1/0/N:17,1,14,10,15,13,11,9,6,21,19,16,5,12,7,3,20,18,4,2,8/rA:21COCOCCCOCCCCCCCCCNCNC/rB:s1;s2;d3;s3;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;d7;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-DMHZARMXNGNKPC_on_P41594_WT,High,ChEMBL30,CHEMBL2153783,Cc1csc(NC(=O)c2nc(C)cc3c2[nH]cc3)n1,DMHZARMXNGNKPC,DMHZARMXNGNKPC-UHFFFAOYSA-N,"InChI=1S/C13H12N4OS/c1-7-5-9-3-4-14-10(9)11(15-7)12(18)17-13-16-8(2)6-19-13/h3-6,14H,1-2H3,(H,16,17,18)","""AuxInfo=1/1/N:12,1,18,17,13,3,11,2,14,15,9,7,5,16,10,19,6,8,4/rA:19CCCSCNCOCNCCCCCNCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d11;s13;s9d14;s15;s16;s14d17;s2d5;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-DMJNZMXZSQWBRT_on_P41594_WT,High,ChEMBL30,CHEMBL2334980,CCCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,DMJNZMXZSQWBRT,DMJNZMXZSQWBRT-UHFFFAOYSA-N,"InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)","""AuxInfo=1/1/N:1,15,24,2,30,3,31,29,28,27,13,20,22,14,19,21,4,12,26,6,7,18,10,8,5,9,25,17,23,11,16/rA:31CCCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d6;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-DMJNZMXZSQWBRT_on_Q13255_WT,High,ChEMBL30,CHEMBL2334980,CCCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,DMJNZMXZSQWBRT,DMJNZMXZSQWBRT-UHFFFAOYSA-N,"InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)","""AuxInfo=1/1/N:1,15,24,2,30,3,31,29,28,27,13,20,22,14,19,21,4,12,26,6,7,18,10,8,5,9,25,17,23,11,16/rA:31CCCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d6;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-DMKIFKKREMMAEC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,23725593;CHEMBL594992,O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCCC1,DMKIFKKREMMAEC,DMKIFKKREMMAEC-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c19-15-6-8-16(9-7-15)21-17-10-5-14(13-20-17)18(23)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,20,21)","""AuxInfo=1/1/N:20,21,19,22,4,10,13,9,14,5,18,23,16,3,11,8,6,2,12,15,7,17,1/E:(1,2)(3,4)(6,7)(8,9)(11,12)/rA:23OCCCCCNCCCCClCCNCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451779;CHEMBL1065281,PMID:19931453,2010.0,PubChemAID:451779;PMID:19931453,2010,0;1,0,0,0,1;0,,=,  6.602;  6.600,6.601,0.001,0.001,2.0,6.601,0.001
-DMLCANDZGIGPGP_on_Q13255_WT,High,ChEMBL30,CHEMBL1951884,CNc1c2c(ncn1)sc1c2ccn(-c2ccc(OC)cc2)c1=O,DMLCANDZGIGPGP,DMLCANDZGIGPGP-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2S/c1-18-15-13-12-7-8-21(10-3-5-11(23-2)6-4-10)17(22)14(12)24-16(13)20-9-19-15/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,20,16,22,17,21,12,13,7,15,18,11,4,10,3,5,23,2,8,6,14,24,19,9/E:(3,4)(5,6)/rA:24CNCCCNCNSCCCCNCCCCOCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-DMLIEGFLXSROFK_on_O00591_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_O14764_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P14867_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P18505_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P18507_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P28472_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P31644_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P34903_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P47869_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P47870_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P48169_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_P78334_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_Q16445_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMLIEGFLXSROFK_on_Q99928_WT,Low,ChEMBL30,CHEMBL55630,CCOC(=O)c1ncc2sc3c(cccc3)c2c1,DMLIEGFLXSROFK,DMLIEGFLXSROFK-UHFFFAOYSA-N,"InChI=1S/C14H11NO2S/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-DMNFJYMNDFNMCY_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223015;45111049,O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccn1,DMNFJYMNDFNMCY,DMNFJYMNDFNMCY-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3S/c22-18(17-8-4-5-13-19-17)20-14-9-11-16(12-10-14)25(23,24)21-15-6-2-1-3-7-15/h1-13,21H,(H,20,22)","""AuxInfo=1/1/N:15,14,16,22,23,13,17,21,5,19,6,18,24,4,12,7,20,2,25,3,11,1,9,10,8/E:(2,3)(6,7)(9,10)(11,12)(23,24)/CRV:25.6/rA:25OCNCCCCSOONCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s7;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  6.750;  6.752,6.751,0.001,0.001,2.0,6.751,0.001
-DMSBEPZHOCQFNA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44403560;CHEMBL194197,O=C(OCc1ccccc1)N1CC=C(C#Cc2ccccn2)CC1,DMSBEPZHOCQFNA,DMSBEPZHOCQFNA-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c23-20(24-16-18-6-2-1-3-7-18)22-14-11-17(12-15-22)9-10-19-8-4-5-13-21-19/h1-8,11,13H,12,14-16H2","""AuxInfo=1/0/N:8,7,9,19,20,6,10,18,15,16,13,23,21,12,24,4,14,5,17,2,22,11,1,3/E:(2,3)(6,7)/rA:24OCOCCCCCCCNCCCCCCCCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255928;CHEMBL871882,PMID:16115767,2005.0,PubChemAID:255928;PMID:16115767,2010;2005,0;1,0,0,0,1;0,,=,  7.921;  7.920,7.921,0.001,0.001,2.0,7.921,0.001
-DMSJBTPCWTWRKQ_on_Q14571_WT,Low,ChEMBL30,CHEMBL1160286,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O[PH](O)(O)O)C(O)C1OP(=O)(O)O,DMSJBTPCWTWRKQ,DMSJBTPCWTWRKQ-UHFFFAOYSA-N,"InChI=1S/C6H18O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-11,25H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:21,7,15,23,9,6,22,8,18,19,20,26,27,28,12,13,14,1,3,4,16,24,10,5,17,25,11,2/E:(9,10,11)(12,13,14)(15,16,17)(18,19,20)/rA:28OPOOOCCOCOPOOOCOPOOOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;s17;s17;s17;s15;s21;s6s21;s23;s24;d25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL701349,PMID:10354407,1999.0,PMID:10354407,1999,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-DMSJBTPCWTWRKQ_on_Q14573_WT,Low,ChEMBL30,CHEMBL1160286,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O[PH](O)(O)O)C(O)C1OP(=O)(O)O,DMSJBTPCWTWRKQ,DMSJBTPCWTWRKQ-UHFFFAOYSA-N,"InChI=1S/C6H18O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-11,25H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:21,7,15,23,9,6,22,8,18,19,20,26,27,28,12,13,14,1,3,4,16,24,10,5,17,25,11,2/E:(9,10,11)(12,13,14)(15,16,17)(18,19,20)/rA:28OPOOOCCOCOPOOOCOPOOOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;s17;s17;s17;s15;s21;s6s21;s23;s24;d25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL701349,PMID:10354407,1999.0,PMID:10354407,1999,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-DMSJBTPCWTWRKQ_on_Q14643_WT,Low,ChEMBL30,CHEMBL1160286,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O[PH](O)(O)O)C(O)C1OP(=O)(O)O,DMSJBTPCWTWRKQ,DMSJBTPCWTWRKQ-UHFFFAOYSA-N,"InChI=1S/C6H18O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-11,25H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:21,7,15,23,9,6,22,8,18,19,20,26,27,28,12,13,14,1,3,4,16,24,10,5,17,25,11,2/E:(9,10,11)(12,13,14)(15,16,17)(18,19,20)/rA:28OPOOOCCOCOPOOOCOPOOOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s16;s17;s17;s17;s15;s21;s6s21;s23;s24;d25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL701349,PMID:10354407,1999.0,PMID:10354407,1999,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-DMZWWXHTJHTRRH_on_P31644_WT,High,ChEMBL30,CHEMBL3681599,O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccc2)nc1,DMZWWXHTJHTRRH,DMZWWXHTJHTRRH-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-21(23-18-8-10-26-11-9-18)16-6-7-19(22-12-16)27-13-17-14-28-24-20(17)15-4-2-1-3-5-15/h1-7,12,14,18H,8-11,13H2,(H,23,25)","""AuxInfo=1/1/N:24,23,25,22,26,11,12,5,9,6,8,28,15,17,21,10,16,4,13,20,2,27,3,19,1,7,14,18/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCOCCCCCCOCCCONCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s21d25;s13;s10d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-DNCAVIPSMHFJEK_on_P41594_WT,High,ChEMBL30,CHEMBL3644401,COc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DNCAVIPSMHFJEK,DNCAVIPSMHFJEK-UHFFFAOYSA-N,"InChI=1S/C19H19N5O2/c1-26-19-21-11-24(22-19)17-9-16-15-4-2-3-13(12-5-6-12)14(15)7-8-23(16)18(25)10-20-17/h2-4,9,11-12H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,22,13,12,24,8,25,20,19,14,15,23,6,9,3,7,26,4,11,5,10,2/E:(5,6)/rA:26COCNNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20s21;s11s15;s6w?23;s5;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-DNCAVIPSMHFJEK_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644401,COc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DNCAVIPSMHFJEK,DNCAVIPSMHFJEK-UHFFFAOYSA-N,"InChI=1S/C19H19N5O2/c1-26-19-21-11-24(22-19)17-9-16-15-4-2-3-13(12-5-6-12)14(15)7-8-23(16)18(25)10-20-17/h2-4,9,11-12H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,22,13,12,24,8,25,20,19,14,15,23,6,9,3,7,26,4,11,5,10,2/E:(5,6)/rA:26COCNNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20s21;s11s15;s6w?23;s5;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-DNCAZYRLRMTVSF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL299683;CHEMBL257626,CC(N)(C(=O)O)c1ccc(C(=O)O)cc1,DNCAZYRLRMTVSF,DNCAZYRLRMTVSF-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,9,14,8,15,10,7,11,4,2,3,12,13,5,6/E:(2,3)(4,5)(12,13)(14,15)/rA:15CCNCOOCCCCCOOCC/rB:s1;s2;s2;d4;s4;s2;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717924;CHEMBL945120,PMID:7562903,1995.0,PMID:8667369;PMID:17489573,1996;2007,0;1,0,0,1;0,0,,=,  4.300;  5.370,4.835,0.535,0.535,2.0,4.835,0.535
-DNCAZYRLRMTVSF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL299683;CHEMBL257626;CHEMBL299683,CC(N)(C(=O)O)c1ccc(C(=O)O)cc1,DNCAZYRLRMTVSF,DNCAZYRLRMTVSF-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,9,14,8,15,10,7,11,4,2,3,12,13,5,6/E:(2,3)(4,5)(12,13)(14,15)/rA:15CCNCOOCCCCCOOCC/rB:s1;s2;s2;d4;s4;s2;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL715052;CHEMBL945122;CHEMBL718218,PMID:7562903,1995.0,PMID:8667369;PMID:17489573;PMID:10893301,1996;2007;2000,1;1;0,0,0,0;0;1,0,,=,  4.300;  5.370;  4.290,4.6530000000000005,0.507,0.358,3.0,4.3,0.01
-DNCFKDLZZSXXJP_on_O00591_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_O14764_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P14867_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P18505_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P18507_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P28472_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P31644_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P34903_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P47869_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P47870_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P48169_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_P78334_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_Q16445_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNCFKDLZZSXXJP_on_Q99928_WT,Low,ChEMBL30,CHEMBL188113,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br,DNCFKDLZZSXXJP,DNCFKDLZZSXXJP-UHFFFAOYSA-N,"InChI=1S/C11H7BrCl2F3N3S/c1-21-10-7(12)9(18)20(19-10)8-5(13)2-4(3-6(8)14)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,21,8,17,12,13,14,19,4,5,2/E:(2,3)(5,6)(13,14)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCBr/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DNDRXYBPJFRQLZ_on_P41594_WT,Low,ChEMBL30,CHEMBL60302,NC1(C(=O)O)CC(C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1,DNDRXYBPJFRQLZ,DNDRXYBPJFRQLZ-UHFFFAOYSA-N,"InChI=1S/C21H24N2O4/c22-21(20(26)27)13-18(19(24)25)23(14-21)12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,13,12,6,27,15,21,14,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)(26,27)/rA:27NCCOOCCCOONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DNDRXYBPJFRQLZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL60302,NC1(C(=O)O)CC(C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1,DNDRXYBPJFRQLZ,DNDRXYBPJFRQLZ-UHFFFAOYSA-N,"InChI=1S/C21H24N2O4/c22-21(20(26)27)13-18(19(24)25)23(14-21)12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,13,12,6,27,15,21,14,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)(26,27)/rA:27NCCOOCCCOONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DNDRXYBPJFRQLZ_on_Q14416_WT,Low,ChEMBL30,CHEMBL60302,NC1(C(=O)O)CC(C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1,DNDRXYBPJFRQLZ,DNDRXYBPJFRQLZ-UHFFFAOYSA-N,"InChI=1S/C21H24N2O4/c22-21(20(26)27)13-18(19(24)25)23(14-21)12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,13,12,6,27,15,21,14,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)(26,27)/rA:27NCCOOCCCOONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DNDRXYBPJFRQLZ_on_Q14833_WT,Low,ChEMBL30,CHEMBL60302,NC1(C(=O)O)CC(C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1,DNDRXYBPJFRQLZ,DNDRXYBPJFRQLZ-UHFFFAOYSA-N,"InChI=1S/C21H24N2O4/c22-21(20(26)27)13-18(19(24)25)23(14-21)12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,13,12,6,27,15,21,14,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)(26,27)/rA:27NCCOOCCCOONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-DNFHZZSBGJIFHG_on_Q14833_WT,High,ExCAPE-DB,56587819,COc1cc(Nc2noc3cccnc23)ccc1Cl,DNFHZZSBGJIFHG,DNFHZZSBGJIFHG-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c1-18-11-7-8(4-5-9(11)14)16-13-12-10(19-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,12,11,16,17,13,4,5,18,10,3,15,7,19,14,6,8,2,9/rA:19COCCCNCNOCCCCNCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s7s10d14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.487,5.487,0.0,0.0,1.0,5.487,0.0
-DNGNUEBUEKGOGM_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL177519;11232871,CCc1c(C)nc2ccc(C(=O)C3COc4c(cccc4)O3)cc2c1,DNGNUEBUEKGOGM,DNGNUEBUEKGOGM-UHFFFAOYSA-N,"InChI=1S/C21H19NO3/c1-3-14-10-16-11-15(8-9-17(16)22-13(14)2)21(23)20-12-24-18-6-4-5-7-19(18)25-20/h4-11,20H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,5,2,20,19,21,18,9,8,25,23,14,4,3,10,24,7,16,17,13,11,6,12,15,22/rA:25CCCCCNCCCCCOCCOCCCCCCOCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s13s17;d10;s7s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  8.150;  8.155,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-DNKIQTADLDZPMA_on_P41594_WT,High,ChEMBL30,CHEMBL2403696,O=C(C1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,DNKIQTADLDZPMA,DNKIQTADLDZPMA-UHFFFAOYSA-N,"InChI=1S/C21H22N2OS/c24-21(17-9-5-2-6-10-17)23-14-13-18-19(15-23)25-20(22-18)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-10,13-15H2","""AuxInfo=1/0/N:22,6,21,23,5,7,20,24,4,8,18,17,11,10,14,19,3,12,13,16,2,25,9,1,15/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-DNSCWSJCNWLBFG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111924,CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1C,DNSCWSJCNWLBFG,DNSCWSJCNWLBFG-UHFFFAOYSA-N,"InChI=1S/C24H29N3O2/c1-6-28-22-8-7-19(11-15(22)2)24-26-23(20-12-16(3)25-17(4)13-20)21-9-10-29-18(5)14-27(21)24/h7-8,11-13,18H,6,9-10,14H2,1-5H3","""AuxInfo=1/0/N:1,29,14,17,24,2,6,5,20,21,27,12,18,25,28,13,16,23,7,11,19,4,10,8,15,9,26,3,22/E:(3,4)(12,13)(16,17)/rA:29CCOCCCCCNCCCCCNCCCCCCOCCCNCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s23;s8s19s25;s7;s4d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-DNSPBVIIBSAYPW_on_P14867_WT,Low,ChEMBL30,CHEMBL383303,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1,DNSPBVIIBSAYPW,DNSPBVIIBSAYPW-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H,"""AuxInfo=1/0/N:10,9,26,13,29,25,3,18,20,11,12,2,6,7,27,16,21,14,15,5,1,8,28,17,22,19,4,24,23/E:(8,9)(16,17)(24,25)/rA:29FCCNCCCFCCCCCCCCFCNCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;d14;s23;s12d24;s6d11;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-DNSPBVIIBSAYPW_on_P18507_WT,Low,ChEMBL30,CHEMBL383303,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1,DNSPBVIIBSAYPW,DNSPBVIIBSAYPW-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H,"""AuxInfo=1/0/N:10,9,26,13,29,25,3,18,20,11,12,2,6,7,27,16,21,14,15,5,1,8,28,17,22,19,4,24,23/E:(8,9)(16,17)(24,25)/rA:29FCCNCCCFCCCCCCCCFCNCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;d14;s23;s12d24;s6d11;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865019;CHEMBL865020;CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.200;  8.220;  8.740,8.387,0.25,0.177,3.0,8.22,0.02
-DNSPBVIIBSAYPW_on_P28472_WT,Low,ChEMBL30,CHEMBL383303,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1,DNSPBVIIBSAYPW,DNSPBVIIBSAYPW-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H,"""AuxInfo=1/0/N:10,9,26,13,29,25,3,18,20,11,12,2,6,7,27,16,21,14,15,5,1,8,28,17,22,19,4,24,23/E:(8,9)(16,17)(24,25)/rA:29FCCNCCCFCCCCCCCCFCNCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;d14;s23;s12d24;s6d11;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865018;CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.740;  8.200;  8.220,8.387,0.25,0.177,3.0,8.22,0.02
-DNSPBVIIBSAYPW_on_P31644_WT,Low,ChEMBL30,CHEMBL383303,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1,DNSPBVIIBSAYPW,DNSPBVIIBSAYPW-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H,"""AuxInfo=1/0/N:10,9,26,13,29,25,3,18,20,11,12,2,6,7,27,16,21,14,15,5,1,8,28,17,22,19,4,24,23/E:(8,9)(16,17)(24,25)/rA:29FCCNCCCFCCCCCCCCFCNCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;d14;s23;s12d24;s6d11;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-DNSPBVIIBSAYPW_on_P34903_WT,Low,ChEMBL30,CHEMBL383303,Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1,DNSPBVIIBSAYPW,DNSPBVIIBSAYPW-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H,"""AuxInfo=1/0/N:10,9,26,13,29,25,3,18,20,11,12,2,6,7,27,16,21,14,15,5,1,8,28,17,22,19,4,24,23/E:(8,9)(16,17)(24,25)/rA:29FCCNCCCFCCCCCCCCFCNCCFNNCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;d14;s23;s12d24;s6d11;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-DNSYCFADRKTPGR_on_P41594_WT,Low,ChEMBL30,CHEMBL3655640,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1F,DNSYCFADRKTPGR,DNSYCFADRKTPGR-UHFFFAOYSA-N,"InChI=1S/C16H10F2N4O2/c17-10-1-2-15(18)14(3-10)16(23)22-11-4-12(6-19-5-11)24-13-7-20-9-21-8-13/h1-9H,(H,22,23)","""AuxInfo=1/1/N:21,22,18,16,5,7,11,15,13,19,4,8,10,17,23,2,20,24,6,12,14,3,1,9/E:(7,8)(20,21)/rA:24OCNCCNCCOCCNCNCCCCCFCCCF/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DNTYKQUGRFNXCA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594113,CC=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,DNTYKQUGRFNXCA,DNTYKQUGRFNXCA-UHFFFAOYSA-N,"""InChI=1S/C21H34O4S.C5H5N/c1-4-14-6-8-18-17-7-5-15-13-16(25-26(22,23)24)9-11-21(15,3)19(17)10-12-20(14,18)2;1-2-4-6-5-3-1/h4,15-19H,5-13H2,1-3H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,26,21,2,9,4,8,5,18,23,19,24,11,3,10,12,7,6,22,25,20,15,16,17,13,14;27,28,32,29,31,30/E:(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s23;s3s6s24;s25;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DNTYKQUGRFNXCA_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594113,CC=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,DNTYKQUGRFNXCA,DNTYKQUGRFNXCA-UHFFFAOYSA-N,"""InChI=1S/C21H34O4S.C5H5N/c1-4-14-6-8-18-17-7-5-15-13-16(25-26(22,23)24)9-11-21(15,3)19(17)10-12-20(14,18)2;1-2-4-6-5-3-1/h4,15-19H,5-13H2,1-3H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,26,21,2,9,4,8,5,18,23,19,24,11,3,10,12,7,6,22,25,20,15,16,17,13,14;27,28,32,29,31,30/E:(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s23;s3s6s24;s25;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DNUJOEZUOUPUCH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3916087,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCc4ccccc4)c(F)c3)n2)cc(C)n1,DNUJOEZUOUPUCH,DNUJOEZUOUPUCH-UHFFFAOYSA-N,"InChI=1S/C27H26FN3O2/c1-18-14-22(15-19(2)29-18)26-24-10-12-32-13-11-31(24)27(30-26)21-8-9-25(23(28)16-21)33-17-20-6-4-3-5-7-20/h3-9,14-16H,10-13,17H2,1-2H3","""AuxInfo=1/0/N:1,32,23,22,24,21,25,15,16,7,11,8,10,3,30,28,19,2,31,20,14,4,26,6,17,5,13,27,33,29,12,9,18/E:(1,2)(4,5)(6,7)(14,15)(18,19)/rA:33CCCCCCCCOCCNCCCCCOCCCCCCCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s26;s14d26;s5d13;d4;s30;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-DNVFLOMQTUHBEF_on_Q14416_WT,High,ChEMBL30,CHEMBL2029799,CC(C)CCn1ccc(-c2ccc(Oc3cccnc3)cc2)c(C#N)c1=O,DNVFLOMQTUHBEF,DNVFLOMQTUHBEF-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-16(2)9-12-25-13-10-20(21(14-23)22(25)26)17-5-7-18(8-6-17)27-19-4-3-11-24-15-19/h3-8,10-11,13,15-16H,9,12H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,11,22,12,21,4,8,18,5,7,24,20,2,10,13,15,9,23,26,25,19,6,27,14/E:(1,2)(5,6)(7,8)/rA:27CCCCCNCCCCCCCOCCCCNCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-DNVTWDKKJYJBDU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684112,O=C1NCCc2c1ccc(C#Cc1ccccc1F)c2,DNVTWDKKJYJBDU,DNVTWDKKJYJBDU-UHFFFAOYSA-N,"InChI=1S/C17H12FNO/c18-16-4-2-1-3-13(16)7-5-12-6-8-15-14(11-12)9-10-19-17(15)20/h1-4,6,8,11H,9-10H2,(H,19,20)","""AuxInfo=1/1/N:15,16,14,17,11,9,12,8,5,4,20,10,13,6,7,18,2,19,3,1/rA:20OCNCCCCCCCCCCCCCCCFC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DNWBFRZISBEJQE_on_P14867_WT,Low,ChEMBL30,CHEMBL1814310,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NCC)c1,DNWBFRZISBEJQE,DNWBFRZISBEJQE-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c1-5-8-15-12-18(21(23)19(13-15)22-7-3)16-10-11-20(24-4)17(14-16)9-6-2/h5-6,10-14,22-23H,1-2,7-9H2,3-4H3","""AuxInfo=1/0/N:1,16,23,12,2,15,22,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,11/rA:24CCCCCCCCCCOCCCCCCCOCNCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-DNWBFRZISBEJQE_on_P47870_WT,Low,ChEMBL30,CHEMBL1814310,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NCC)c1,DNWBFRZISBEJQE,DNWBFRZISBEJQE-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c1-5-8-15-12-18(21(23)19(13-15)22-7-3)16-10-11-20(24-4)17(14-16)9-6-2/h5-6,10-14,22-23H,1-2,7-9H2,3-4H3","""AuxInfo=1/0/N:1,16,23,12,2,15,22,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,11/rA:24CCCCCCCCCCOCCCCCCCOCNCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-DNYZVTRSVHODOM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,57459542;CHEMBL2179327,FC(F)(F)c1c(N2CCC(c3cnccc3)CC2)ccn2c(CC3CC3)nnc12,DNYZVTRSVHODOM,DNYZVTRSVHODOM-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5/c22-21(23,24)19-17(7-11-29-18(12-14-3-4-14)26-27-20(19)29)28-9-5-15(6-10-28)16-2-1-8-25-13-16/h1-2,7-8,11,13-15H,3-6,9-10,12H2","""AuxInfo=1/0/N:15,16,25,26,9,17,19,14,8,18,20,23,12,24,10,11,6,22,5,29,2,1,3,4,13,27,28,7,21/E:(3,4)(5,6)(9,10)(22,23,24)/rA:29FCFFCCNCCCCCNCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;s7s17;s6;d19;s20;s21;s22;s23;s24;s24s25;d22;s27;s5s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482,PMID:23072213,2012.0,PubChemAID:711294;PMID:23072213,2013;2012,0,0;1,0,0,1;0,,=,  6.285;  6.290,6.287000000000001,0.003,0.003,2.0,6.287000000000001,0.002
-DOAWPHZLUZJQQM_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681899,Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccc(-n4ccnc4)cc23)cc1,DOAWPHZLUZJQQM,DOAWPHZLUZJQQM-UHFFFAOYSA-N,"InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2","""AuxInfo=1/0/N:14,15,3,30,4,29,20,19,24,23,27,16,12,26,13,2,5,21,28,9,18,8,10,1,25,17,7,22,6,11/E:(1,2)(3,4)(5,6)/rA:30ClCCCCNNCCCOCCCCCNCCCCNCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;s13s14;s9;d16;s17;d18;s19;d20;s21;s22;d23;s24;s22d25;s21;s8s18d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-DOAWPHZLUZJQQM_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681899,Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccc(-n4ccnc4)cc23)cc1,DOAWPHZLUZJQQM,DOAWPHZLUZJQQM-UHFFFAOYSA-N,"InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2","""AuxInfo=1/0/N:14,15,3,30,4,29,20,19,24,23,27,16,12,26,13,2,5,21,28,9,18,8,10,1,25,17,7,22,6,11/E:(1,2)(3,4)(5,6)/rA:30ClCCCCNNCCCOCCCCCNCCCCNCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;s13s14;s9;d16;s17;d18;s19;d20;s21;s22;d23;s24;s22d25;s21;s8s18d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-DODBQOYAIRZVMS_on_P31644_WT,High,ChEMBL30,CHEMBL3681505,CC(=O)NCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,DODBQOYAIRZVMS,DODBQOYAIRZVMS-UHFFFAOYSA-N,"InChI=1S/C21H22N4O4/c1-14-18(20(25-29-14)16-6-4-3-5-7-16)13-28-19-9-8-17(12-24-19)21(27)23-11-10-22-15(2)26/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,23,27)","""AuxInfo=1/1/N:18,1,25,24,26,23,27,11,12,5,6,29,15,17,2,22,10,16,13,21,8,4,7,28,20,3,9,14,19/E:(4,5)(6,7)/rA:29CCONCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s17;s19;s16d20;s21;d22;s23;d24;s25;s22d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-DOEHRRKVBJGRIT_on_P41594_WT,High,ChEMBL30,CHEMBL1630076,Cc1c(C(C)OC(=O)Nc2ccccc2)sc2nccn12,DOEHRRKVBJGRIT,DOEHRRKVBJGRIT-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,19,20,2,4,10,3,17,7,18,9,21,8,6,16/E:(4,5)(6,7)/rA:21CCCCCOCONCCCCCCSCNCCN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-DOKJHXYCSUQRQV_on_O00591_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_O14764_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P14867_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P18505_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P18507_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P28472_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P31644_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P34903_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P47869_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P47870_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P48169_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_P78334_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_Q16445_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOKJHXYCSUQRQV_on_Q99928_WT,Low,ChEMBL30,CHEMBL357844,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,DOKJHXYCSUQRQV,DOKJHXYCSUQRQV-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-4-2-3-11(7-13)9-20-18(23)17(22)15-10-19-16-6-5-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,26,24,8,15,7,20,3,25,14,17,12,10,16,9,21,13,11,22,23,2/E:(24,25)/CRV:21.5/rA:26COCCCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-DOLMPPAKPUQJRP_on_P41594_WT,High,ChEMBL30,CHEMBL3702443,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccs1)ccc3,DOLMPPAKPUQJRP,DOLMPPAKPUQJRP-UHFFFAOYSA-N,"InChI=1S/C21H18N6OS/c28-19-11-23-18(27-12-24-20(25-27)13-4-5-13)10-17-15-2-1-3-16(21-22-7-9-29-21)14(15)6-8-26(17)19/h1-3,7,9-10,12-13H,4-6,8,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,19,25,14,3,7,10,17,16,21,15,5,2,9,22,23,4,8,13,20,6,1,26/E:(4,5)/rA:29OCCNCNCNCCCCNCCCCCCNCCNCCSCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-DOLMPPAKPUQJRP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702443,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccs1)ccc3,DOLMPPAKPUQJRP,DOLMPPAKPUQJRP-UHFFFAOYSA-N,"InChI=1S/C21H18N6OS/c28-19-11-23-18(27-12-24-20(25-27)13-4-5-13)10-17-15-2-1-3-16(21-22-7-9-29-21)14(15)6-8-26(17)19/h1-3,7,9-10,12-13H,4-6,8,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,19,25,14,3,7,10,17,16,21,15,5,2,9,22,23,4,8,13,20,6,1,26/E:(4,5)/rA:29OCCNCNCNCCCCNCCCCCCNCCNCCSCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-DOMGNCULJRFQNG_on_P41594_WT,High,ChEMBL30,CHEMBL3735297,CC(C)(C)n1nnc2c1CCC(c1nc(N3CCOCC3)no1)C2,DOMGNCULJRFQNG,DOMGNCULJRFQNG-UHFFFAOYSA-N,"InChI=1S/C16H24N6O2/c1-16(2,3)22-13-5-4-11(10-12(13)18-20-22)14-17-15(19-24-14)21-6-8-23-9-7-21/h11H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,10,17,21,18,20,24,12,8,9,13,15,2,14,7,22,6,16,5,19,23/E:(1,2,3)(6,7)(8,9)/rA:24CCCCNNNCCCCCCNCNCCOCCNOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;d15;s13s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-DOOGDICMBOTQOZ_on_O00591_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_O14764_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P14867_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P18505_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P18507_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P28472_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P31644_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P34903_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P47869_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P47870_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P48169_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_P78334_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOOGDICMBOTQOZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL82894,Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2,DOOGDICMBOTQOZ,DOOGDICMBOTQOZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4S/c1-10-14(18(22)23-9-11-2-3-11)16(20)15-12-4-5-19(24-6-7-25-19)8-13(12)26-17(15)21-10/h11H,2-9H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,21,20,23,24,18,12,2,13,16,17,8,5,6,4,9,19,7,3,10,11,22,25,26/E:(2,3)(6,7)(24,25)/rA:26CCNCCCNCCOOCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s13s14;s5;d16;s17;s18;s19;s16s20;s19;s22;s23;s19s24;s4s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-DOPDYPCGDJQNQD_on_O00222_WT,High,ExCAPE-DB,73058467,CCOc1ccc(-n2c(C)cc(C(=O)CSc3ccc(OC)cc3)c2C)cc1,DOPDYPCGDJQNQD,DOPDYPCGDJQNQD-UHFFFAOYSA-N,"InChI=1S/C23H25NO3S/c1-5-27-20-8-6-18(7-9-20)24-16(2)14-22(17(24)3)23(25)15-28-21-12-10-19(26-4)11-13-21/h6-14H,5,15H2,1-4H3","""AuxInfo=1/0/N:1,10,26,22,2,6,27,5,28,19,23,18,24,11,15,9,25,7,20,4,17,12,13,8,14,21,3,16/E:(6,7)(8,9)(10,11)(12,13)/rA:28CCOCCCCNCCCCCOCSCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s8d12;s25;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-DOPDYPCGDJQNQD_on_Q14833_WT,High,ExCAPE-DB,73058467,CCOc1ccc(-n2c(C)cc(C(=O)CSc3ccc(OC)cc3)c2C)cc1,DOPDYPCGDJQNQD,DOPDYPCGDJQNQD-UHFFFAOYSA-N,"InChI=1S/C23H25NO3S/c1-5-27-20-8-6-18(7-9-20)24-16(2)14-22(17(24)3)23(25)15-28-21-12-10-19(26-4)11-13-21/h6-14H,5,15H2,1-4H3","""AuxInfo=1/0/N:1,10,26,22,2,6,27,5,28,19,23,18,24,11,15,9,25,7,20,4,17,12,13,8,14,21,3,16/E:(6,7)(8,9)(10,11)(12,13)/rA:28CCOCCCCNCCCCCOCSCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s8d12;s25;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DORVVOYVWWWLAW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL403607;44453145,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(F)cccc2)n1,DORVVOYVWWWLAW,DORVVOYVWWWLAW-UHFFFAOYSA-N,"InChI=1S/C17H10F4N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)7-6-12-4-2-3-5-14(12)18/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,21,20,22,19,15,14,11,3,5,2,16,6,17,13,12,7,18,8,9,10,23,4/E:(19,20,21)/rA:23CCCNCCCFFFCCCCCCCFCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s17;d19;s20;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-DOSZTWDMPVQLFP_on_P41594_WT,High,ChEMBL30,CHEMBL3422894,COc1ccc(C(=O)N2CCc3c(C2)sc(NCc2cccc(F)c2)c3C#N)cc1,DOSZTWDMPVQLFP,DOSZTWDMPVQLFP-UHFFFAOYSA-N,"InChI=1S/C23H20FN3O2S/c1-29-18-7-5-16(6-8-18)23(28)27-10-9-19-20(12-25)22(30-21(19)14-27)26-13-15-3-2-4-17(24)11-15/h2-8,11,26H,9-10,13-14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,5,29,4,30,11,10,25,27,18,14,19,6,23,3,12,26,13,16,7,24,28,17,9,8,2,15/E:(5,6)(7,8)/rA:30COCCCCCONCCCCCSCNCCCCCCFCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;s15;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;s26;t27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3423873,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-DOTJFXPSPGGSPY_on_P41594_WT,High,ChEMBL30,CHEMBL3603913,Cc1cc(-c2cc(-n3cccn3)ncn2)cc(C#N)c1,DOTJFXPSPGGSPY,DOTJFXPSPGGSPY-UHFFFAOYSA-N,"InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3","""AuxInfo=1/0/N:1,10,11,9,20,3,16,6,18,14,2,17,4,5,7,19,15,13,12,8/rA:20CCCCCCCNCCCNNCNCCCNC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;d7;s13;s5d14;d4;s16;s17;t18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  7.900;  8.400,8.15,0.25,0.25,2.0,8.15,0.25
-DOUZSEBQVJAYHL_on_Q13255_WT,High,ChEMBL30,CHEMBL3759424,Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2ccc1,DOUZSEBQVJAYHL,DOUZSEBQVJAYHL-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O4/c1-10-4-3-5-13-16(10)20(27)24(19(13)26)15-7-6-12(8-14(15)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,16,27,28,26,9,8,20,18,2,15,10,25,21,7,3,14,12,23,4,22,19,11,6,13,24,5,17/rA:28CCCCONCCCCNCOCCCOCNCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;s15;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.320;  6.330,6.325,0.005,0.005,2.0,6.325,0.005
-DOUZSEBQVJAYHL_on_Q14833_WT,High,ChEMBL30,CHEMBL3759424,Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2ccc1,DOUZSEBQVJAYHL,DOUZSEBQVJAYHL-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O4/c1-10-4-3-5-13-16(10)20(27)24(19(13)26)15-7-6-12(8-14(15)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,16,27,28,26,9,8,20,18,2,15,10,25,21,7,3,14,12,23,4,22,19,11,6,13,24,5,17/rA:28CCCCONCCCCNCOCCCOCNCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;s15;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-DOWVTWKIXIRDDR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3891918,N#CC1CC1c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,DOWVTWKIXIRDDR,DOWVTWKIXIRDDR-UHFFFAOYSA-N,"InChI=1S/C17H11ClF3N5O/c18-14-6-13(17(19,20)21)24-25(14)8-10-5-16(27)26-12(11-4-9(11)7-22)2-1-3-15(26)23-10/h1-3,5-6,9,11H,4,8H2","""AuxInfo=1/0/N:8,7,9,4,24,21,2,13,3,12,5,6,16,22,10,25,17,23,18,19,20,1,11,15,14,27,26/E:(19,20,21)/rA:27NCCCCCCCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-DOWVTWKIXIRDDR_on_Q12879_WT,Low,ChEMBL30,CHEMBL3891918,N#CC1CC1c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,DOWVTWKIXIRDDR,DOWVTWKIXIRDDR-UHFFFAOYSA-N,"InChI=1S/C17H11ClF3N5O/c18-14-6-13(17(19,20)21)24-25(14)8-10-5-16(27)26-12(11-4-9(11)7-22)2-1-3-15(26)23-10/h1-3,5-6,9,11H,4,8H2","""AuxInfo=1/0/N:8,7,9,4,24,21,2,13,3,12,5,6,16,22,10,25,17,23,18,19,20,1,11,15,14,27,26/E:(19,20,21)/rA:27NCCCCCCCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-DPFAMOOZKKWTRX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912824,Cc1ccc(-c2cc(C(N)=O)nc3c2ccc(C)c3)cc1,DPFAMOOZKKWTRX,DPFAMOOZKKWTRX-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-11-3-6-13(7-4-11)15-10-17(18(19)21)20-16-9-12(2)5-8-14(15)16/h3-10H,1-2H3,(H2,19,21)","""AuxInfo=1/1/N:1,18,3,21,16,4,20,15,19,7,2,17,5,14,6,13,8,9,10,12,11/E:(3,4)(6,7)/rA:21CCCCCCCCCNONCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s13d17;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-DPFFCWQLYRMZOU_on_Q14416_WT,High,ChEMBL30,CHEMBL4091735,NC1(C(=O)O)CC(NC(=O)c2cccc(O)c2)C2C(C(=O)O)C21,DPFFCWQLYRMZOU,DPFFCWQLYRMZOU-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-8(9-10(11(9)15)13(20)21)17-12(19)6-2-1-3-7(18)4-6/h1-4,8-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,1,8,16,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  7.500;  8.420,7.96,0.46,0.46,2.0,7.96,0.46
-DPFFCWQLYRMZOU_on_Q14832_WT,High,ChEMBL30,CHEMBL4091735,NC1(C(=O)O)CC(NC(=O)c2cccc(O)c2)C2C(C(=O)O)C21,DPFFCWQLYRMZOU,DPFFCWQLYRMZOU-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-8(9-10(11(9)15)13(20)21)17-12(19)6-2-1-3-7(18)4-6/h1-4,8-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,1,8,16,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  9.150;  8.640,8.895,0.255,0.255,2.0,8.895,0.255
-DPFHVUSPVHRVFL_on_Q05586_WT,Medium,ChEMBL30,CHEMBL86313,CC(NCc1c2nc(O)c(O)nc2cc(Br)c1)P(=O)(O)O,DPFHVUSPVHRVFL,DPFHVUSPVHRVFL-UHFFFAOYSA-N,"InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)","""AuxInfo=1/1/N:1,17,14,4,2,5,15,13,6,10,8,16,3,12,7,11,9,19,20,21,18/E:(18,19,20)/rA:21CCNCCCNCOCONCCCBrCPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;s5d15;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-DPHCCWAANKZCTG_on_P18505_WT,Low,ChEMBL30,CHEMBL2322935,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)C=Cc1ccccc1,DPHCCWAANKZCTG,DPHCCWAANKZCTG-UHFFFAOYSA-N,"InChI=1S/C21H24F2O2/c22-21(23,18(24)7-6-14-4-2-1-3-5-14)19(25)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,24H,8-13H2","""AuxInfo=1/0/N:23,22,24,21,25,19,18,6,8,10,12,4,11,20,7,5,9,16,2,3,13,14,15,17,1/E:(2,3)(4,5)(8,9,10)(11,12,13)(15,16,17)(22,23)/rA:25OCCCCCCCCCCCCFFCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-DPHCCWAANKZCTG_on_P47870_WT,Low,ChEMBL30,CHEMBL2322935,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)C=Cc1ccccc1,DPHCCWAANKZCTG,DPHCCWAANKZCTG-UHFFFAOYSA-N,"InChI=1S/C21H24F2O2/c22-21(23,18(24)7-6-14-4-2-1-3-5-14)19(25)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,24H,8-13H2","""AuxInfo=1/0/N:23,22,24,21,25,19,18,6,8,10,12,4,11,20,7,5,9,16,2,3,13,14,15,17,1/E:(2,3)(4,5)(8,9,10)(11,12,13)(15,16,17)(22,23)/rA:25OCCCCCCCCCCCCFFCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-DPIIDSDHXSZGPU_on_O00222_WT,High,ExCAPE-DB,73058518,COc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,DPIIDSDHXSZGPU,DPIIDSDHXSZGPU-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO3S/c1-15-12-21(22(27)14-30-13-17-4-8-19(28-3)9-5-17)16(2)26(15)18-6-10-20(11-7-18)29-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:27,14,1,5,29,17,25,4,30,18,24,28,7,9,26,13,6,16,3,19,12,10,21,22,23,15,11,2,20,8/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:30COCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s13;s13;s15;d16;s17;d18;s19;s20;s21;s21;s19;s16d24;s15;s26;s12d26;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  6.638,6.638,0.0,0.0,1.0,6.638,0.0
-DPIIDSDHXSZGPU_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561387,COc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,DPIIDSDHXSZGPU,DPIIDSDHXSZGPU-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO3S/c1-15-12-21(22(27)14-30-13-17-4-8-19(28-3)9-5-17)16(2)26(15)18-6-10-20(11-7-18)29-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:27,14,1,5,29,17,25,4,30,18,24,28,7,9,26,13,6,16,3,19,12,10,21,22,23,15,11,2,20,8/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:30COCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s13;s13;s15;d16;s17;d18;s19;s20;s21;s21;s19;s16d24;s15;s26;s12d26;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DPISUGVHZBSEIR_on_P14867_WT,Low,ChEMBL30,CHEMBL2420454,On1ncc(C2CCNCC2)c1-c1c[nH]c(-c2ccccc2)n1,DPISUGVHZBSEIR,DPISUGVHZBSEIR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-16(14(10-20-22)12-6-8-18-9-7-12)15-11-19-17(21-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,4,14,6,17,5,13,12,16,9,15,3,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONNCCCCCNCCCCCNCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-DPISUGVHZBSEIR_on_P18507_WT,Low,ChEMBL30,CHEMBL2420454,On1ncc(C2CCNCC2)c1-c1c[nH]c(-c2ccccc2)n1,DPISUGVHZBSEIR,DPISUGVHZBSEIR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-16(14(10-20-22)12-6-8-18-9-7-12)15-11-19-17(21-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,4,14,6,17,5,13,12,16,9,15,3,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONNCCCCCNCCCCCNCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-DPISUGVHZBSEIR_on_P47870_WT,Low,ChEMBL30,CHEMBL2420454,On1ncc(C2CCNCC2)c1-c1c[nH]c(-c2ccccc2)n1,DPISUGVHZBSEIR,DPISUGVHZBSEIR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-16(14(10-20-22)12-6-8-18-9-7-12)15-11-19-17(21-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,4,14,6,17,5,13,12,16,9,15,3,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONNCCCCCNCCCCCNCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-DPKWUFMPSCCEGN_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647557,[C-]#[N+]c1ccc(-c2cnnc3c2ncn3CC)cc1-c1ccc(S(=O)(=O)CC)cc1OC,DPKWUFMPSCCEGN,DPKWUFMPSCCEGN-UHFFFAOYSA-N,"InChI=1S/C23H21N5O3S/c1-5-28-14-25-22-19(13-26-27-23(22)28)15-7-10-20(24-3)18(11-15)17-9-8-16(12-21(17)31-4)32(29,30)6-2/h7-14H,5-6H2,1-2,4H3","""AuxInfo=1/0/N:17,28,1,32,16,27,5,22,21,4,18,29,8,14,6,23,20,19,7,3,30,12,11,2,13,9,10,15,25,26,31,24/E:(29,30)/CRV:3-1,24+1,32.6/rA:32C-N+CCCCCCNNCCNCNCCCCCCCCSOOCCCCOC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;d13;s11s14;s15;s16;s6;s3d18;s19;d20;s21;d22;s23;d24;d24;s24;s27;s23;s20d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-DPKZEFSLBNRNCR_on_Q12879_WT,Medium,ChEMBL30,CHEMBL148767,c1ccc(CC2CCN(CCSc3nc4c(cccc4)[nH]3)CC2)cc1,DPKZEFSLBNRNCR,DPKZEFSLBNRNCR-UHFFFAOYSA-N,"InChI=1S/C21H25N3S/c1-2-6-17(7-3-1)16-18-10-12-24(13-11-18)14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-9,18H,10-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,25,18,19,3,24,17,20,7,23,8,22,10,11,5,4,6,16,15,13,21,14,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(19,20)(22,23)/rA:25CCCCCCCCNCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.120,4.12,0.0,0.0,1.0,4.12,0.0
-DPKZEFSLBNRNCR_on_Q13224_WT,Medium,ChEMBL30,CHEMBL148767,c1ccc(CC2CCN(CCSc3nc4c(cccc4)[nH]3)CC2)cc1,DPKZEFSLBNRNCR,DPKZEFSLBNRNCR-UHFFFAOYSA-N,"InChI=1S/C21H25N3S/c1-2-6-17(7-3-1)16-18-10-12-24(13-11-18)14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-9,18H,10-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,25,18,19,3,24,17,20,7,23,8,22,10,11,5,4,6,16,15,13,21,14,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(19,20)(22,23)/rA:25CCCCCCCCNCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DPKZEFSLBNRNCR_on_Q14957_WT,Low,ChEMBL30,CHEMBL148767,c1ccc(CC2CCN(CCSc3nc4c(cccc4)[nH]3)CC2)cc1,DPKZEFSLBNRNCR,DPKZEFSLBNRNCR-UHFFFAOYSA-N,"InChI=1S/C21H25N3S/c1-2-6-17(7-3-1)16-18-10-12-24(13-11-18)14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-9,18H,10-16H2,(H,22,23)","""AuxInfo=1/1/N:1,2,25,18,19,3,24,17,20,7,23,8,22,10,11,5,4,6,16,15,13,21,14,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(19,20)(22,23)/rA:25CCCCCCCCNCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DPLUKMMRMOVPQW_on_P41594_WT,Low,ChEMBL30,CHEMBL256422,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3c(C)onc3C)c2)n1,DPLUKMMRMOVPQW,DPLUKMMRMOVPQW-UHFFFAOYSA-N,"InChI=1S/C22H16F3N3O/c1-13-11-28-12-18(22(23,24)25)10-20(28)19(26-13)8-7-16-5-4-6-17(9-16)21-14(2)27-29-15(21)3/h4-6,9-12H,1-3H3","""AuxInfo=1/0/N:1,27,23,18,17,19,15,14,28,11,3,5,2,26,22,16,20,6,13,12,21,7,8,9,10,29,25,4,24/E:(23,24,25)/rA:29CCCNCCCFFFCCCCCCCCCCCCCONCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s22;s24;s21d25;s26;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-DPNKKEVPAFIVKW_on_Q13255_WT,High,ChEMBL30,CHEMBL3787619,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)occ1,DPNKKEVPAFIVKW,DPNKKEVPAFIVKW-UHFFFAOYSA-N,"InChI=1S/C20H15ClN2O3/c1-12-8-9-26-18(12)19(24)22-14-6-7-17(16(21)10-14)23-11-13-4-2-3-5-15(13)20(23)25/h2-10H,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,17,19,16,23,22,26,25,8,13,2,14,7,15,9,11,3,4,20,10,6,12,5,21,24/rA:26CCCCONCCCClCNCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.430;  5.430,5.43,0.0,0.0,2.0,5.43,0.0
-DPOBBSWZCUVNPT_on_P41594_WT,Medium,ChEMBL30,CHEMBL4109934,Cn1ccc(C(=O)NC23CCCC(C#Cc4ccccn4)(CC2)C3)n1,DPOBBSWZCUVNPT,DPOBBSWZCUVNPT-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-24-14-7-17(23-24)18(25)22-20-9-4-8-19(15-20,11-12-20)10-6-16-5-2-3-13-21-16/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,18,19,11,17,15,4,12,10,14,22,23,20,3,24,16,5,6,13,9,21,8,25,2,7/rA:25CNCCCCONCCCCCCCCCCCCNCCCN/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s9s22;s9s13;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-DPOZSDIHFQRUEB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11253176;CHEMBL198757,CCNc1cccnc1Nc1cccc(C)n1,DPOZSDIHFQRUEB,DPOZSDIHFQRUEB-UHFFFAOYSA-N,"InChI=1S/C13H16N4/c1-3-14-11-7-5-9-15-13(11)17-12-8-4-6-10(2)16-12/h4-9,14H,3H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,16,2,13,6,14,5,12,7,15,4,11,9,3,8,17,10/rA:17CCNCCCCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;d13;s14;s15;s11d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  5.523;  5.520,5.521,0.002,0.002,2.0,5.521,0.002
-DPQPKLNRKKTANP_on_P41594_WT,High,ChEMBL30,CHEMBL4099864,O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(Br)cn1)o2,DPQPKLNRKKTANP,DPQPKLNRKKTANP-UHFFFAOYSA-N,"InChI=1S/C18H14BrN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:6,5,7,4,8,19,18,11,10,22,14,3,20,17,13,12,16,2,21,23,15,9,1,24/E:(2,3)(4,5)/rA:24OCCCCCCCNCCCCCNCCCCCBrCNO/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;d12;s9s13;s13;d15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-DPUYSZJVGFTTMX_on_Q13224_WT,High,ChEMBL30,CHEMBL3357785,c1ccc(CNC2CCc3c(cccc3)CC2)cc1,DPUYSZJVGFTTMX,DPUYSZJVGFTTMX-UHFFFAOYSA-N,"InChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2","""AuxInfo=1/0/N:1,2,19,13,14,3,18,12,15,16,9,17,8,5,4,11,10,7,6/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:19CCCCCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s11;s7s16;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-DPVFRCDQCCOVLI_on_P41594_WT,High,ExCAPE-DB,56663550,Cc1c(C2CCCN2C(=O)C2C=S(O)(O)=CC2)cnc(-c2cc(Cl)ccc2)c1,DPVFRCDQCCOVLI,DPVFRCDQCCOVLI-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3S/c1-14-10-19(15-4-2-5-17(22)11-15)23-12-18(14)20-6-3-8-24(20)21(25)16-7-9-28(26,27)13-16/h2,4-5,9-13,16,20,26-27H,3,6-8H2,1H3","""AuxInfo=1/0/N:1,26,6,27,25,5,17,7,16,28,22,18,12,2,21,11,23,3,20,4,9,24,19,8,10,14,15,13/E:(26,27)/CRV:28.6/rA:28CCCCCCCNCOCCSOOCCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;s11;d12;s13;s13;d13;s11s16;s3;d18;s19;s20;d21;s22;s23;d23;s25;s21d26;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609897,PubChemAID:609897,2012.0,PubChemAID:609897,2012,0,0,0,0,1,,=,  5.721,5.721,0.0,0.0,1.0,5.721,0.0
-DPWMFRUUHKKFEF_on_P41594_WT,High,ChEMBL30,CHEMBL271885,Cc1cn2cc(CN3CCN(C)CC3)cc2c(C#Cc2ccccc2)n1,DPWMFRUUHKKFEF,DPWMFRUUHKKFEF-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-18-15-26-17-20(16-25-12-10-24(2)11-13-25)14-22(26)21(23-18)9-8-19-6-4-3-5-7-19/h3-7,14-15,17H,10-13,16H2,1-2H3","""AuxInfo=1/0/N:1,12,23,22,24,21,25,19,18,10,13,9,14,15,3,7,5,2,20,6,17,16,26,11,8,4/E:(4,5)(6,7)(10,11)(12,13)/rA:26CCCNCCCNCCNCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s8s13;s6;s4d15;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-DPZBOPXKAJUVNN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3910196,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC12CCCC2,DPZBOPXKAJUVNN,DPZBOPXKAJUVNN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O/c1-23-20(25)24(16-21(23)13-5-6-14-21)19-12-11-18(15-22-19)10-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15H,5-6,13-14,16H2,1H3","""AuxInfo=1/0/N:1,15,14,16,23,24,13,17,11,10,8,7,22,25,18,20,12,9,6,3,21,19,2,5,4/E:(3,4)(5,6)(7,8)(13,14)/rA:25CNCONCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DQDLJDCSJFQOHI_on_O00591_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_O14764_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P14867_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P18505_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P18507_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P28472_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P31644_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P34903_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P47869_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P47870_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P48169_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_P78334_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_Q16445_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQDLJDCSJFQOHI_on_Q99928_WT,Low,ChEMBL30,CHEMBL1182809,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,DQDLJDCSJFQOHI,DQDLJDCSJFQOHI-UHFFFAOYSA-N,"InChI=1S/C15H11Cl3N2O2/c16-8-4-5-12(20-13(21)7-19)9(6-8)15(22)14-10(17)2-1-3-11(14)18/h1-6H,7,19H2,(H,20,21)","""AuxInfo=1/1/N:14,13,15,21,22,18,2,19,7,11,16,6,3,10,8,20,12,17,1,5,4,9/E:(2,3)(10,11)(17,18)/rA:22NCCONCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s16;s7;d18;s19;s19;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-DQFCGBULSRIWGA_on_P14867_WT,Low,ChEMBL30,CHEMBL2311576,NCc1cn(O)nc1-c1cccc(-c2ccccc2)c1,DQFCGBULSRIWGA,DQFCGBULSRIWGA-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:17,16,18,11,15,19,12,10,20,2,4,14,13,9,3,8,1,7,5,6/E:(2,3)(5,6)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-DQFCGBULSRIWGA_on_P18507_WT,Low,ChEMBL30,CHEMBL2311576,NCc1cn(O)nc1-c1cccc(-c2ccccc2)c1,DQFCGBULSRIWGA,DQFCGBULSRIWGA-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:17,16,18,11,15,19,12,10,20,2,4,14,13,9,3,8,1,7,5,6/E:(2,3)(5,6)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-DQFCGBULSRIWGA_on_P47870_WT,Low,ChEMBL30,CHEMBL2311576,NCc1cn(O)nc1-c1cccc(-c2ccccc2)c1,DQFCGBULSRIWGA,DQFCGBULSRIWGA-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c17-10-15-11-19(20)18-16(15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,20H,10,17H2","""AuxInfo=1/0/N:17,16,18,11,15,19,12,10,20,2,4,14,13,9,3,8,1,7,5,6/E:(2,3)(5,6)/rA:20NCCCNONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-DQGMJEZOJRTDBE_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209592,Nc1ncc(C2CC2c2ccccc2)cn1,DQGMJEZOJRTDBE,DQGMJEZOJRTDBE-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13-15-7-10(8-16-13)12-6-11(12)9-4-2-1-3-5-9/h1-5,7-8,11-12H,6H2,(H2,14,15,16)","""AuxInfo=1/1/N:12,11,13,10,14,7,4,15,9,5,8,6,2,1,3,16/E:(2,3)(4,5)(7,8)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s6s7;s8;d9;s10;d11;s12;s9d13;s5;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-DQKNTSFPZMVKNA_on_P18507_WT,Low,ChEMBL30,CHEMBL1081140,Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,DQKNTSFPZMVKNA,DQKNTSFPZMVKNA-UHFFFAOYSA-N,"InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:1,15,23,3,4,7,13,11,20,25,2,14,22,12,6,5,21,10,8,24,9,18,16,26,19,17/rA:26CCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;s10;s11;d12;s13;s14;d14;s12s16;d10;s8s18;s19;s20;d21;s22;s22;d24;s5s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-DQKNTSFPZMVKNA_on_P28472_WT,Low,ChEMBL30,CHEMBL1081140,Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,DQKNTSFPZMVKNA,DQKNTSFPZMVKNA-UHFFFAOYSA-N,"InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:1,15,23,3,4,7,13,11,20,25,2,14,22,12,6,5,21,10,8,24,9,18,16,26,19,17/rA:26CCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;s10;s11;d12;s13;s14;d14;s12s16;d10;s8s18;s19;s20;d21;s22;s22;d24;s5s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-DQKNTSFPZMVKNA_on_P31644_WT,Low,ChEMBL30,CHEMBL1081140,Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,DQKNTSFPZMVKNA,DQKNTSFPZMVKNA-UHFFFAOYSA-N,"InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:1,15,23,3,4,7,13,11,20,25,2,14,22,12,6,5,21,10,8,24,9,18,16,26,19,17/rA:26CCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;s10;s11;d12;s13;s14;d14;s12s16;d10;s8s18;s19;s20;d21;s22;s22;d24;s5s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-DQKXGDKZDMLTJK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11371383;CHEMBL366326,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cscc1,DQKXGDKZDMLTJK,DQKXGDKZDMLTJK-UHFFFAOYSA-N,"InChI=1S/C20H15N3OS/c24-20(16-11-12-25-14-16)21-19-13-18(15-7-3-1-4-8-15)22-23(19)17-9-5-2-6-10-17/h1-14H,(H,21,24)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,25,24,5,22,7,21,15,6,4,2,3,13,14,1,23/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCNCCCCCCCCCNNCCCCCCCCSCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:240173;CHEMBL829868,PMID:15537338,2004.0,PubChemAID:240173;PMID:15537338,2010;2004,0,0;1,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-DQLYTFPAEVJTFM_on_P41594_WT,Medium,ChEMBL30,CHEMBL88124,NC(C(=O)O)c1cc(O)ccc1,DQLYTFPAEVJTFM,DQLYTFPAEVJTFM-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)","""AuxInfo=1/1/N:11,12,10,7,6,8,2,3,1,9,4,5/E:(11,12)/rA:12NCCOOCCCOCCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;s6d11;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-DQLYTFPAEVJTFM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL442347,NC(C(=O)O)c1cc(O)ccc1,DQLYTFPAEVJTFM,DQLYTFPAEVJTFM-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)","""AuxInfo=1/1/N:11,12,10,7,6,8,2,3,1,9,4,5/E:(11,12)/rA:12NCCOOCCCOCCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;s6d11;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717335,PMID:8831765,1996.0,PMID:8831765,1996,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-DQMNPZNSZPCUAG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3921799,Cc1ccc2c(-c3ccccc3Cl)cc(C(N)=O)nc2c1,DQMNPZNSZPCUAG,DQMNPZNSZPCUAG-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O/c1-10-6-7-12-13(11-4-2-3-5-14(11)18)9-16(17(19)21)20-15(12)8-10/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,9,10,8,11,3,4,21,14,2,7,5,6,12,20,15,16,13,17,19,18/rA:21CCCCCCCCCCCCClCCCNONCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d6;s14;s15;s16;d16;d15;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-DQODIDHZGUYRPC_on_P41594_WT,High,ChEMBL30,CHEMBL3644398,O=C1CN=C(n2cnc(-c3cnco3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,DQODIDHZGUYRPC,DQODIDHZGUYRPC-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)20-9-23-13-29-20)8-19-17-3-1-2-15(14-4-5-14)16(17)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2","""AuxInfo=1/0/N:28,27,29,25,26,20,21,16,11,3,15,7,13,24,23,19,18,9,17,10,5,2,12,4,8,6,22,1,14/E:(4,5)/rA:29OCCNCNCNCCCNCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-DQODIDHZGUYRPC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644398,O=C1CN=C(n2cnc(-c3cnco3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,DQODIDHZGUYRPC,DQODIDHZGUYRPC-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)20-9-23-13-29-20)8-19-17-3-1-2-15(14-4-5-14)16(17)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2","""AuxInfo=1/0/N:28,27,29,25,26,20,21,16,11,3,15,7,13,24,23,19,18,9,17,10,5,2,12,4,8,6,22,1,14/E:(4,5)/rA:29OCCNCNCNCCCNCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-DQOISLJJQCLDRI_on_P41594_WT,High,ChEMBL30,CHEMBL3644397;CHEMBL3644396,COC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DQOISLJJQCLDRI,DQOISLJJQCLDRI-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:4,1,19,20,18,23,24,15,14,26,10,6,27,3,22,21,16,17,5,25,8,11,9,28,7,13,12,2/E:(6,7)/rA:28COCCCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s22s23;s13s17;s8w?25;s7;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.520;  8.300,8.41,0.11,0.11,2.0,8.41,0.11
-DQOISLJJQCLDRI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644396;CHEMBL3644397,COC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DQOISLJJQCLDRI,DQOISLJJQCLDRI-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:4,1,19,20,18,23,24,15,14,26,10,6,27,3,22,21,16,17,5,25,8,11,9,28,7,13,12,2/E:(6,7)/rA:28COCCCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s22s23;s13s17;s8w?25;s7;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.960;  5.160,5.56,0.4,0.4,2.0,5.56,0.4
-DQPDVUHMHZDBEK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11241984;CHEMBL180964,Cc1nc(NC(=O)c2nc(C)ccc2O)ccc1,DQPDVUHMHZDBEK,DQPDVUHMHZDBEK-UHFFFAOYSA-N,"InChI=1S/C13H13N3O2/c1-8-4-3-5-11(14-8)16-13(18)12-10(17)7-6-9(2)15-12/h3-7,17H,1-2H3,(H,14,16,18)","""AuxInfo=1/1/N:1,11,17,18,16,12,13,2,10,14,4,8,6,3,9,5,15,7/rA:18CCNCNCOCNCCCCCOCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL828680,PMID:15686941,2005.0,PubChemAID:255952;PMID:15686941,2010;2005,0;1,0,0,0,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-DQSCBDQEXPEZEO_on_O00222_WT,High,ChEMBL30,CHEMBL4098424,NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O,DQSCBDQEXPEZEO,DQSCBDQEXPEZEO-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-9(10(15)16)1-2-24(22,23)11(17)6-3-7(13(18)19)5-8(4-6)14(20)21/h3-5,9,11,17H,1-2,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:3,4,11,21,16,10,12,17,2,22,8,1,13,18,23,24,9,14,15,19,20,6,7,5/E:(3,4)(7,8)(13,14)(15,16)(18,19,20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCCN+OO-CCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d13;s13;d12;s16;s17;d18;s18;s10d17;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-DQSCBDQEXPEZEO_on_Q14833_WT,High,ChEMBL30,CHEMBL4098424,NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O,DQSCBDQEXPEZEO,DQSCBDQEXPEZEO-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-9(10(15)16)1-2-24(22,23)11(17)6-3-7(13(18)19)5-8(4-6)14(20)21/h3-5,9,11,17H,1-2,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:3,4,11,21,16,10,12,17,2,22,8,1,13,18,23,24,9,14,15,19,20,6,7,5/E:(3,4)(7,8)(13,14)(15,16)(18,19,20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCCN+OO-CCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d13;s13;d12;s16;s17;d18;s18;s10d17;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-DQTUEIKYYPWKJJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3931345,Cc1cccc(S(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)c1,DQTUEIKYYPWKJJ,DQTUEIKYYPWKJJ-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3S2/c1-11-6-5-7-13(10-11)25(22,23)16-12(2)19-17(24-16)20-15(21)14-8-3-4-9-18-14/h3-10H,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,12,20,21,4,3,5,19,22,25,2,11,6,18,16,10,14,23,13,15,17,8,9,24,7/E:(22,23)/CRV:25.6/rA:25CCCCCCSOOCCCNCNCOCCCCCNSC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s11;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-DQVKKIABVQNADT_on_P41594_WT,Medium,ChEMBL30,CHEMBL4111926,CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)C2CCCC21,DQVKKIABVQNADT,DQVKKIABVQNADT-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O/c1-24-19-4-2-3-17(19)20(21(24)25)18-12-9-15(13-23-18)6-5-14-7-10-16(22)11-8-14/h7-13,17,19-20H,2-4H2,1H3","""AuxInfo=1/0/N:1,23,22,24,11,10,13,18,8,14,17,7,19,12,9,15,21,6,25,5,3,16,20,2,4/E:(7,8)(10,11)/rA:25CNCOCCCCCCCCCCCFCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s21;s22;s23;s2s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-DQYKLTXNJFBRJO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114497,CC1CN(Cc2ccc3c(-c4cn(C(F)F)nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,DQYKLTXNJFBRJO,DQYKLTXNJFBRJO-UHFFFAOYSA-N,"InChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32)","""AuxInfo=1/1/N:1,7,8,26,19,18,3,5,12,27,2,6,11,9,10,25,20,28,21,14,29,15,16,30,31,32,22,17,24,4,13,23,33/E:(22,23)(24,25,26)/rA:33CCCNCCCCCCCCNCFFNCCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s14;s14;s13;s11d17;d10;s19;s20;s21;d21;d20;s9s24;s6d25;s4;s27;s28;s29;s29;s29;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-DQZBYMUDSJTGLY_on_Q12879_WT,Low,ChEMBL30,CHEMBL83781,Oc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1,DQZBYMUDSJTGLY,DQZBYMUDSJTGLY-UHFFFAOYSA-N,"InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2","""AuxInfo=1/0/N:18,17,19,7,8,6,16,20,4,23,3,24,12,21,9,11,22,14,5,15,13,2,10,1/E:(2,3)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:24OCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;t6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DQZBYMUDSJTGLY_on_Q13224_WT,Medium,ChEMBL30,CHEMBL83781,Oc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1,DQZBYMUDSJTGLY,DQZBYMUDSJTGLY-UHFFFAOYSA-N,"InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2","""AuxInfo=1/0/N:18,17,19,7,8,6,16,20,4,23,3,24,12,21,9,11,22,14,5,15,13,2,10,1/E:(2,3)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:24OCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;t6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-DQZBYMUDSJTGLY_on_Q14957_WT,Low,ChEMBL30,CHEMBL83781,Oc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1,DQZBYMUDSJTGLY,DQZBYMUDSJTGLY-UHFFFAOYSA-N,"InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2","""AuxInfo=1/0/N:18,17,19,7,8,6,16,20,4,23,3,24,12,21,9,11,22,14,5,15,13,2,10,1/E:(2,3)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:24OCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;t6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DRCGHGOPCPUYAI_on_O00591_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_O14764_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P14867_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P18505_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P18507_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P28472_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P31644_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P34903_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P47869_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P47870_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P48169_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_P78334_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_Q16445_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCGHGOPCPUYAI_on_Q99928_WT,Low,ChEMBL30,CHEMBL308096,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1,DRCGHGOPCPUYAI,DRCGHGOPCPUYAI-UHFFFAOYSA-N,"InChI=1S/C26H28N4O2/c1-17-5-8-24-23(13-17)28-16-30(24)19-6-7-22-20(14-19)21(15-27-22)18-9-11-29(12-10-18)25(31)32-26(2,3)4/h5-9,13-16,27H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,28,29,30,3,16,15,4,21,32,22,31,7,12,18,9,2,20,11,13,19,14,6,5,24,27,17,8,23,10,25,26/E:(2,3,4)/rA:32CCCCCCCNCNCCCCCCNCCCCCNCOOCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;w?20;s21;s22;s23;d24;s24;s26;s27;s27;s27;s23;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRCWBQAOFNLXIV_on_P14867_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.790;  7.790,7.79,0.0,0.0,2.0,7.79,0.0
-DRCWBQAOFNLXIV_on_P18507_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823916;CHEMBL683047;CHEMBL822165;CHEMBL685338;CHEMBL824296;CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.370;  6.780;  7.790;  8.010;  7.320;  7.790;  7.320;  7.370;  8.010;  6.780,7.454,0.425,0.142,10.0,7.37,0.42
-DRCWBQAOFNLXIV_on_P28472_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL685338;CHEMBL823916;CHEMBL822165;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL824296;CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648,2000;1998;1998;1998;2000;2000;2000;1998;2000;1998,0,0,0,1,0,,=,  8.010;  8.010;  7.370;  7.790;  7.370;  7.320;  7.790;  7.320;  6.780;  6.780,7.454,0.425,0.142,10.0,7.37,0.42
-DRCWBQAOFNLXIV_on_P31644_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.010;  8.010,8.01,0.0,0.0,2.0,8.01,0.0
-DRCWBQAOFNLXIV_on_P34903_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.370;  7.370,7.37,0.0,0.0,2.0,7.37,0.0
-DRCWBQAOFNLXIV_on_P47869_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-DRCWBQAOFNLXIV_on_Q16445_WT,Low,ChEMBL30,CHEMBL6440,CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O,DRCWBQAOFNLXIV,DRCWBQAOFNLXIV-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O3/c1-20-7-14-15(17(23)24-8-10-2-3-10)19-9-21(14)13-5-4-11(18)6-12(13)16(20)22/h4-6,9-10H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,21,22,18,3,9,14,10,19,17,16,4,5,23,6,20,13,2,15,24,7,8/E:(2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s10;s10s11;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.780;  6.780,6.78,0.0,0.0,2.0,6.78,0.0
-DRFVSJCRDHQNKN_on_P31644_WT,High,ChEMBL30,CHEMBL3681519,Cc1c(COc2ccc(C(=O)NCCCO)cn2)c(-c2ccccc2)no1,DRFVSJCRDHQNKN,DRFVSJCRDHQNKN-UHFFFAOYSA-N,"InChI=1S/C20H21N3O4/c1-14-17(19(23-27-14)15-6-3-2-4-7-15)13-26-18-9-8-16(12-22-18)20(25)21-10-5-11-24/h2-4,6-9,12,24H,5,10-11,13H2,1H3,(H,21,25)","""AuxInfo=1/1/N:1,23,22,24,14,21,25,8,7,13,15,17,4,2,20,9,3,6,19,10,12,18,26,16,11,5,27/E:(3,4)(6,7)/rA:27CCCCOCCCCCONCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-DRHBLXHMGABRON_on_P41594_WT,High,ChEMBL30,CHEMBL3600420,CCCC(NC(=O)c1cscn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,DRHBLXHMGABRON,DRHBLXHMGABRON-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,21,20,14,27,25,9,11,22,13,19,15,4,8,17,6,16,24,26,12,18,5,7,10/rA:27CCCCNCOCCSCNCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DRLVREDBNDTEKI_on_Q05586_WT,Low,ChEMBL30,CHEMBL65039,CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2,DRLVREDBNDTEKI,DRLVREDBNDTEKI-UHFFFAOYSA-N,"InChI=1S/C23H30N4O2S/c1-17(2)30(28,29)26-20-8-9-21-22(15-20)25-23(24-21)16-27-12-10-19(11-13-27)14-18-6-4-3-5-7-18/h3-9,15,17,19,26H,10-14,16H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,25,24,26,23,27,13,12,19,28,18,29,21,9,16,2,22,20,8,11,10,15,14,30,7,17,5,6,4/E:(1,2)(4,5)(6,7)(10,11)(12,13)(28,29)/CRV:30.6/rA:30CCCSOONCCCCCCNCCNCCCCCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17s28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.620;  6.520,6.57,0.05,0.05,2.0,6.57,0.05
-DRLVREDBNDTEKI_on_Q13224_WT,Low,ChEMBL30,CHEMBL65039,CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2,DRLVREDBNDTEKI,DRLVREDBNDTEKI-UHFFFAOYSA-N,"InChI=1S/C23H30N4O2S/c1-17(2)30(28,29)26-20-8-9-21-22(15-20)25-23(24-21)16-27-12-10-19(11-13-27)14-18-6-4-3-5-7-18/h3-9,15,17,19,26H,10-14,16H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,25,24,26,23,27,13,12,19,28,18,29,21,9,16,2,22,20,8,11,10,15,14,30,7,17,5,6,4/E:(1,2)(4,5)(6,7)(10,11)(12,13)(28,29)/CRV:30.6/rA:30CCCSOONCCCCCCNCCNCCCCCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17s28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.620;  6.520,6.57,0.05,0.05,2.0,6.57,0.05
-DRQVAMDRLMKALN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1095701;46887271,CCCCCCCCC1CN(c2ccccc2)C(=O)O1,DRQVAMDRLMKALN,DRQVAMDRLMKALN-UHFFFAOYSA-N,"InChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-16-14-18(17(19)20-16)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,15,14,16,7,13,17,8,10,12,9,18,11,19,20/E:(8,9)(11,12)/rA:20CCCCCCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;d18;s9s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-DRSBFTQQPIMGRO_on_P41594_WT,High,ChEMBL30,CHEMBL3702452,COCc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DRSBFTQQPIMGRO,DRSBFTQQPIMGRO-UHFFFAOYSA-N,"InChI=1S/C20H21N5O2/c1-27-11-18-22-12-25(23-18)19-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(26)10-21-19/h2-4,9,12-13H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,3,26,21,20,15,16,24,4,7,10,8,27,5,12,6,11,2/E:(5,6)/rA:27COCCNNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-DRSBFTQQPIMGRO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702452,COCc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,DRSBFTQQPIMGRO,DRSBFTQQPIMGRO-UHFFFAOYSA-N,"InChI=1S/C20H21N5O2/c1-27-11-18-22-12-25(23-18)19-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(26)10-21-19/h2-4,9,12-13H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,3,26,21,20,15,16,24,4,7,10,8,27,5,12,6,11,2/E:(5,6)/rA:27COCCNNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-DRSIZRFDCMPTKL_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3919518,Fc1ccc(Nc2c3ncccc3n[nH]2)cc1F,DRSIZRFDCMPTKL,DRSIZRFDCMPTKL-UHFFFAOYSA-N,"InChI=1S/C12H8F2N4/c13-8-4-3-7(6-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,2,17,13,8,7,1,18,9,6,14,15/rA:18FCCCCNCCNCCCCNNCCF/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-DRTKCRBMELMEQA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3976203,N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)cc(F)c1,DRTKCRBMELMEQA,DRTKCRBMELMEQA-UHFFFAOYSA-N,"InChI=1S/C21H16F2N4O2/c22-16-2-1-3-20(9-16)29-13-18-10-19-12-26(4-5-27(19)25-18)21(28)15-6-14(11-24)7-17(23)8-15/h1-3,6-10H,4-5,12-13H2","""AuxInfo=1/0/N:21,20,22,9,10,4,29,26,17,23,2,25,14,3,5,18,27,13,24,16,6,19,28,1,12,8,11,7,15/rA:29NCCCCCONCCNNCCOCCCFCCCCCCCCFC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s13;s11d23;s8s24;d5;s26;s27;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-DRXWBNQRNITDHK_on_O15399_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_O60391_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRXWBNQRNITDHK_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365756,CCCCc1ccc(C=NN=C(N)N)cc1,DRXWBNQRNITDHK,DRXWBNQRNITDHK-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-2-3-4-10-5-7-11(8-6-10)9-15-16-12(13)14/h5-9H,2-4H2,1H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,2,3,4,6,16,7,15,9,5,8,12,13,14,10,11/E:(5,6)(7,8)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-DRZFESGKJRXJJU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2431414;71585614,Cc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1,DRZFESGKJRXJJU,DRZFESGKJRXJJU-UHFFFAOYSA-N,"InChI=1S/C26H26N6O/c1-20-8-10-21(11-9-20)23-18-32(25(29-23)22-6-3-2-4-7-22)19-24(33)30-14-16-31(17-15-30)26-27-12-5-13-28-26/h2-13,18H,14-17,19H2,1H3","""AuxInfo=1/0/N:1,28,27,29,19,26,30,3,33,4,32,18,20,13,23,14,22,7,9,2,5,25,6,10,24,16,17,21,31,12,15,8,11/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(27,28)/rA:33CCCCCCCNCCONCCNCNCCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s8;s24;d25;s26;d27;s28;s25d29;s6d24;s5;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294;PubChemAID:772427,PMID:24900753,2013.0,PMID:24900753;PubChemAID:772427,2013;2014,0,1;0,0,0,0;1,,=,  7.170;  7.174,7.172000000000001,0.002,0.002,2.0,7.172000000000001,0.002
-DRZUDAIPBYGUPA_on_P18507_WT,Low,ChEMBL30,CHEMBL1081492,Clc1c2Cn3ncnc3-c3c(ccc(NC4CC4)c3)-n2cn1,DRZUDAIPBYGUPA,DRZUDAIPBYGUPA-UHFFFAOYSA-N,"InChI=1S/C15H13ClN6/c16-14-13-6-22-15(17-7-19-22)11-5-10(20-9-1-2-9)3-4-12(11)21(13)8-18-14/h3-5,7-9,20H,1-2,6H2","""AuxInfo=1/0/N:17,18,13,12,19,4,7,21,16,14,10,11,3,2,9,1,8,22,6,15,20,5/E:(1,2)/rA:22ClCCCNNCNCCCCCCNCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16s17;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-DRZUDAIPBYGUPA_on_P28472_WT,Low,ChEMBL30,CHEMBL1081492,Clc1c2Cn3ncnc3-c3c(ccc(NC4CC4)c3)-n2cn1,DRZUDAIPBYGUPA,DRZUDAIPBYGUPA-UHFFFAOYSA-N,"InChI=1S/C15H13ClN6/c16-14-13-6-22-15(17-7-19-22)11-5-10(20-9-1-2-9)3-4-12(11)21(13)8-18-14/h3-5,7-9,20H,1-2,6H2","""AuxInfo=1/0/N:17,18,13,12,19,4,7,21,16,14,10,11,3,2,9,1,8,22,6,15,20,5/E:(1,2)/rA:22ClCCCNNCNCCCCCCNCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16s17;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-DRZUDAIPBYGUPA_on_P31644_WT,Low,ChEMBL30,CHEMBL1081492,Clc1c2Cn3ncnc3-c3c(ccc(NC4CC4)c3)-n2cn1,DRZUDAIPBYGUPA,DRZUDAIPBYGUPA-UHFFFAOYSA-N,"InChI=1S/C15H13ClN6/c16-14-13-6-22-15(17-7-19-22)11-5-10(20-9-1-2-9)3-4-12(11)21(13)8-18-14/h3-5,7-9,20H,1-2,6H2","""AuxInfo=1/0/N:17,18,13,12,19,4,7,21,16,14,10,11,3,2,9,1,8,22,6,15,20,5/E:(1,2)/rA:22ClCCCNNCNCCCCCCNCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16s17;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-DSAKEJMVOMQNRD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL577505;45486817,CN(C(=O)c1ccc(F)cc1)c1nc(-c2ncccn2)cs1,DSAKEJMVOMQNRD,DSAKEJMVOMQNRD-UHFFFAOYSA-N,"InChI=1S/C15H11FN4OS/c1-20(14(21)10-3-5-11(16)6-4-10)15-19-12(9-22-15)13-17-7-2-8-18-13/h2-9H,1H3","""AuxInfo=1/0/N:1,18,6,11,7,10,17,19,21,5,8,14,15,3,12,9,16,20,13,2,4,22/E:(3,4)(5,6)(7,8)(17,18)/rA:22CNCOCCCCFCCCNCCNCCCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  5.240;  5.244,5.242000000000001,0.002,0.002,2.0,5.242000000000001,0.002
-DSDXKYYKXTXTOI_on_Q14416_WT,High,ChEMBL30,CHEMBL3221835,CCCn1ccc2c(cccc2NCCc2ccc(C)cc2)c1=O,DSDXKYYKXTXTOI,DSDXKYYKXTXTOI-UHFFFAOYSA-N,"InChI=1S/C21H24N2O/c1-3-14-23-15-12-18-19(21(23)24)5-4-6-20(18)22-13-11-17-9-7-16(2)8-10-17/h4-10,12,15,22H,3,11,13-14H2,1-2H3","""AuxInfo=1/0/N:1,20,2,10,9,11,18,21,17,22,15,6,14,3,5,19,16,7,8,12,23,13,4,24/E:(7,8)(9,10)/rA:24CCCNCCCCCCCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-DSHZTLRUIWKQPN_on_P41594_WT,High,ChEMBL30,CHEMBL2151472,O=C(c1ccc(F)cc1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1,DSHZTLRUIWKQPN,DSHZTLRUIWKQPN-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-14-6-4-11(5-7-14)18(24)23-9-13(10-23)17-21-16(22-25-17)12-2-1-3-15(20)8-12/h1-8,13H,9-10H2","""AuxInfo=1/0/N:21,22,20,4,9,5,8,17,11,25,3,16,12,6,18,15,13,2,7,19,14,23,10,1,24/E:(4,5)(6,7)(9,10)/rA:25OCCCCCFCCNCCCNCCCCFCCCNOC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-DSIOZKXTPFLKJZ_on_P41594_WT,High,ChEMBL30,CHEMBL2153791,Cc1nc(NC(=O)c2nc(C)cc3c2[nH]cc3-c2ccccn2)ccc1,DSIOZKXTPFLKJZ,DSIOZKXTPFLKJZ-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-12-6-5-8-17(23-12)25-20(26)19-18-14(10-13(2)24-19)15(11-22-18)16-7-3-4-9-21-16/h3-11,22H,1-2H3,(H,23,25,26)","""AuxInfo=1/1/N:1,11,20,21,25,26,19,24,22,12,16,2,10,13,17,18,4,14,8,6,23,15,3,9,5,7/rA:26CCNCNCOCNCCCCCNCCCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s18d22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DSKYZAOKCWQIRI_on_P14867_WT,Low,ChEMBL30,CHEMBL44065,Cc1csc(-c2cc(-c3cocc3)c3-c4c(ccnc4)CCCn3c2=O)n1,DSKYZAOKCWQIRI,DSKYZAOKCWQIRI-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-13-12-27-20(23-13)17-9-16(15-5-8-26-11-15)19-18-10-22-6-4-14(18)3-2-7-24(19)21(17)25/h4-6,8-12H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,22,21,17,13,18,23,12,7,20,10,3,2,16,9,8,6,15,14,5,25,19,27,24,26,11,4/rA:27CCCSCCCCCCOCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s9d12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-DSKYZAOKCWQIRI_on_P18507_WT,Low,ChEMBL30,CHEMBL44065,Cc1csc(-c2cc(-c3cocc3)c3-c4c(ccnc4)CCCn3c2=O)n1,DSKYZAOKCWQIRI,DSKYZAOKCWQIRI-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-13-12-27-20(23-13)17-9-16(15-5-8-26-11-15)19-18-10-22-6-4-14(18)3-2-7-24(19)21(17)25/h4-6,8-12H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,22,21,17,13,18,23,12,7,20,10,3,2,16,9,8,6,15,14,5,25,19,27,24,26,11,4/rA:27CCCSCCCCCCOCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s9d12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.410;  8.360,8.385,0.025,0.025,2.0,8.385,0.025
-DSKYZAOKCWQIRI_on_P28472_WT,Low,ChEMBL30,CHEMBL44065,Cc1csc(-c2cc(-c3cocc3)c3-c4c(ccnc4)CCCn3c2=O)n1,DSKYZAOKCWQIRI,DSKYZAOKCWQIRI-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-13-12-27-20(23-13)17-9-16(15-5-8-26-11-15)19-18-10-22-6-4-14(18)3-2-7-24(19)21(17)25/h4-6,8-12H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,22,21,17,13,18,23,12,7,20,10,3,2,16,9,8,6,15,14,5,25,19,27,24,26,11,4/rA:27CCCSCCCCCCOCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s9d12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.360;  8.410,8.385,0.025,0.025,2.0,8.385,0.025
-DSKYZAOKCWQIRI_on_P34903_WT,Low,ChEMBL30,CHEMBL44065,Cc1csc(-c2cc(-c3cocc3)c3-c4c(ccnc4)CCCn3c2=O)n1,DSKYZAOKCWQIRI,DSKYZAOKCWQIRI-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-13-12-27-20(23-13)17-9-16(15-5-8-26-11-15)19-18-10-22-6-4-14(18)3-2-7-24(19)21(17)25/h4-6,8-12H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,22,21,17,13,18,23,12,7,20,10,3,2,16,9,8,6,15,14,5,25,19,27,24,26,11,4/rA:27CCCSCCCCCCOCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s9d12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-DSMPVPUNARWELA_on_O15399_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_O60391_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_Q05586_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_Q12879_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_Q13224_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSMPVPUNARWELA_on_Q14957_WT,Low,ChEMBL30,CHEMBL41295,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC,DSMPVPUNARWELA,DSMPVPUNARWELA-UHFFFAOYSA-N,"InChI=1S/C12H13N3O4/c1-3-6-5-8-9(14-12(17)11(16)13-8)10(15(18)19)7(6)4-2/h5H,3-4H2,1-2H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:1,19,2,18,4,3,17,5,6,13,10,8,12,7,14,11,9,15,16/E:(18,19)/CRV:15.5/rA:19CCCCCCNCOCONCN+OO-CCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSNCATNVELGAJX_on_P41594_WT,High,ChEMBL30,CHEMBL2338602,Cc1cccnc1C(=O)NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1,DSNCATNVELGAJX,DSNCATNVELGAJX-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O2/c1-13-5-4-10-22-18(13)20(26)24-17-9-3-8-16(12-17)23-19(25)14-6-2-7-15(21)11-14/h2,4-7,10-11,16-17H,3,8-9,12H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,24,13,4,3,25,23,14,12,5,20,26,2,19,21,15,11,7,17,8,22,6,16,10,18,9/rA:26CCCCCNCCONCCCCCNCOCCCClCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;s21;d21;s23;s19d24;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-DSRMEQSMACBSIR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108984,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C,DSRMEQSMACBSIR,DSRMEQSMACBSIR-UHFFFAOYSA-N,"InChI=1S/C22H24FN3O2/c1-14-4-5-17(11-20(14)27-3)22-25-21(16-6-8-24-15(2)10-16)19-7-9-28-18(12-23)13-26(19)22/h4-6,8,10-11,18H,7,9,12-13H2,1-3H3","""AuxInfo=1/0/N:28,14,1,26,25,10,17,11,18,15,4,21,23,27,13,9,5,20,16,3,8,6,22,12,7,24,2,19/rA:28COCCCCNCCCCNCCCCCCOCCFCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-DSRSSQVJRLQNGG_on_P41594_WT,Low,ChEMBL30,CHEMBL1783858,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,DSRSSQVJRLQNGG,DSRSSQVJRLQNGG-UHFFFAOYSA-N,"InChI=1S/C19H16N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h3-8,10-11H,1,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,10,3,9,15,17,20,5,6,13,12,7,25,4,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCCSCCNCNCCCCOCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-DSRSSQVJRLQNGG_on_Q13255_WT,High,ChEMBL30,CHEMBL1783858,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,DSRSSQVJRLQNGG,DSRSSQVJRLQNGG-UHFFFAOYSA-N,"InChI=1S/C19H16N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h3-8,10-11H,1,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,10,3,9,15,17,20,5,6,13,12,7,25,4,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCCSCCNCNCCCCOCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-DSTVUBPAEXKNMB_on_P14867_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DSTVUBPAEXKNMB_on_P18507_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678741;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800;  7.410;  8.100;  7.250,7.39,0.467,0.27,4.0,7.33,0.305
-DSTVUBPAEXKNMB_on_P28472_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL676826;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.410;  6.800;  8.100;  7.250,7.39,0.467,0.27,4.0,7.33,0.305
-DSTVUBPAEXKNMB_on_P31644_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DSTVUBPAEXKNMB_on_P34903_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-DSTVUBPAEXKNMB_on_P47869_WT,Low,ChEMBL30,CHEMBL53529,CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,DSTVUBPAEXKNMB,DSTVUBPAEXKNMB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12(2)16-20-21-17-14-8-3-4-9-15(14)18(22-23(16)17)24-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,21,20,22,13,10,19,16,2,17,8,9,4,7,14,18,5,6,23,24,15/E:(1,2)/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-DTAYUTKRKXGTFH_on_P41594_WT,High,ChEMBL30,CHEMBL2071574,Cc1ccccc1N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O,DTAYUTKRKXGTFH,DTAYUTKRKXGTFH-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-5-2-3-8-16(12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-6-4-7-15(20)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,4,5,16,3,15,17,6,20,23,9,2,14,10,18,7,24,13,11,19,12,21,8,25,22/rA:25CCCCCCCNCCCNCCCCCCClCNOCCO/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;s10;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-DTEGRUAPSAGDIZ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1705559;46869943,O=C(Nc1cc(Cl)c(N2C(=O)CCC2=O)cc1)c1ncccc1,DTEGRUAPSAGDIZ,DTEGRUAPSAGDIZ-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O3/c17-11-9-10(19-16(23)12-3-1-2-8-18-12)4-5-13(11)20-14(21)6-7-15(20)22/h1-5,8-9H,6-7H2,(H,19,23)","""AuxInfo=1/1/N:22,21,23,17,16,12,13,20,5,4,6,18,8,10,14,2,7,19,3,9,11,15,1/E:(6,7)(14,15)(21,22)/rA:23OCNCCCClCNCOCCCOCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s9s13;d14;s8;s4d16;s2;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:2197,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:2197,2011;2009,0,1;0,0,0,0;1,,=,  5.210;  5.225,5.2170000000000005,0.008,0.008,2.0,5.2170000000000005,0.006999999999999999
-DTNAXROICAPJTO_on_P31644_WT,High,ChEMBL30,CHEMBL3681426,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccc(Cl)cc2)no1,DTNAXROICAPJTO,DTNAXROICAPJTO-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O3/c1-12-17(19(24-27-12)13-2-5-15(21)6-3-13)11-26-18-9-4-14(10-22-18)20(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,20,25,8,21,24,14,15,7,16,4,2,19,9,22,13,3,6,18,10,23,17,12,26,11,5,27/E:(2,3)(5,6)(7,8)/rA:27CCCCOCCCCCONCCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-DTNUUARSOITKQB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53320294;CHEMBL1682829;CHEMBL1682829,CN1CCOc2c1ncc(OC(=O)c1ccccc1)c2,DTNUUARSOITKQB,DTNUUARSOITKQB-UHFFFAOYSA-N,"InChI=1S/C15H14N2O3/c1-17-7-8-19-13-9-12(10-16-14(13)17)20-15(18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,3,4,20,9,14,10,6,7,12,8,2,13,5,11/E:(3,4)(5,6)/rA:20CNCCOCCNCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858;CHEMBL1685174;CHEMBL1685174,PMID:21295468,2011.0,PubChemAID:579858;PMID:21295468;PMID:21295468,2011,0,0;1;1,0,0,1;0;0,,=,  7.910;  7.910;  7.910,7.91,0.0,0.0,3.0,7.91,0.0
-DTNXLEODOOJWRE_on_P41594_WT,Low,ChEMBL30,CHEMBL2338558,CN(C(=O)c1cc(Cl)ccc1)C1CCCC(N(C)C(=O)c2cc(Cl)ccc2)C1,DTNXLEODOOJWRE,DTNXLEODOOJWRE-UHFFFAOYSA-N,"InChI=1S/C22H24Cl2N2O2/c1-25(21(27)15-6-3-8-17(23)12-15)19-10-5-11-20(14-19)26(2)22(28)16-7-4-9-18(24)13-16/h3-4,6-9,12-13,19-20H,5,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,18,10,26,14,11,27,9,25,13,15,6,22,28,5,21,7,23,12,16,3,19,8,24,2,17,4,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28CNCOCCCClCCCCCCCCNCCOCCCClCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d7;s9;s5d10;s2;s12;s13;s14;s15;s16;s17;s17;d19;s19;d21;s22;s23;d23;s25;s21d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DTPHIIWTOIMRPY_on_Q14416_WT,High,ChEMBL30,CHEMBL2152112,Cn1ccc2c1ccc(-c1c(C#N)c3ncc(CC(F)(F)F)n3cc1)c2,DTPHIIWTOIMRPY,DTPHIIWTOIMRPY-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4/c1-25-6-4-13-8-12(2-3-17(13)25)15-5-7-26-14(9-19(20,21)22)11-24-18(26)16(15)10-23/h2-8,11H,9H2,1H3","""AuxInfo=1/0/N:1,8,7,4,25,3,24,26,18,12,16,9,5,17,10,11,6,14,19,20,21,22,13,15,2,23/E:(20,21,22)/rA:26CNCCCCCCCCCCNCNCCCCFFFNCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;t12;s11;d14;s15;d16;s17;s18;s19;s19;s19;s14s17;s23;s10d24;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-DTTSDIMPLNYWCV_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702407,COc1cccc2c1CCN1C(=O)CN=C(c3cccc(O)n3)C=C21,DTTSDIMPLNYWCV,DTTSDIMPLNYWCV-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c1-25-17-6-2-4-12-13(17)8-9-22-16(12)10-15(20-11-19(22)24)14-5-3-7-18(23)21-14/h2-7,10H,8-9,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,19,6,18,4,20,9,10,24,14,7,8,17,16,25,3,21,12,15,23,11,22,13,2/rA:25COCCCCCCCCNCOCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s21;s17d21;s16;s7s11w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-DTUKNQLIJMMAAJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3961419,CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1CC,DTUKNQLIJMMAAJ,DTUKNQLIJMMAAJ-UHFFFAOYSA-N,"InChI=1S/C24H29N3O2/c1-5-18-7-8-19(15-22(18)29-6-2)24-26-23(20-13-16(3)25-17(4)14-20)21-9-11-28-12-10-27(21)24/h7-8,13-15H,5-6,9-12H2,1-4H3","""AuxInfo=1/0/N:29,1,13,16,28,2,26,25,19,23,20,22,11,17,5,12,15,27,6,10,18,4,9,7,14,8,24,21,3/E:(3,4)(13,14)(16,17)/rA:29CCOCCCCNCCCCCNCCCCCCOCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s7s18s23;d6;s25;s4d26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-DTWANULJDRVTFI_on_Q05586_WT,Low,ChEMBL30,CHEMBL16117,CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN,DTWANULJDRVTFI,DTWANULJDRVTFI-UHFFFAOYSA-N,"InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)","""AuxInfo=1/1/N:1,2,25,24,29,20,3,10,15,11,14,30,26,23,28,21,19,8,9,12,7,4,16,31,27,22,18,6,13,5,17/E:(8,9)(10,11)/rA:31CCCCONCCCCCCOCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.560,5.56,0.0,0.0,1.0,5.56,0.0
-DTWANULJDRVTFI_on_Q12879_WT,Low,ChEMBL30,CHEMBL16117,CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN,DTWANULJDRVTFI,DTWANULJDRVTFI-UHFFFAOYSA-N,"InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)","""AuxInfo=1/1/N:1,2,25,24,29,20,3,10,15,11,14,30,26,23,28,21,19,8,9,12,7,4,16,31,27,22,18,6,13,5,17/E:(8,9)(10,11)/rA:31CCCCONCCCCCCOCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.560,5.56,0.0,0.0,1.0,5.56,0.0
-DTWANULJDRVTFI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL16117,CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN,DTWANULJDRVTFI,DTWANULJDRVTFI-UHFFFAOYSA-N,"InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)","""AuxInfo=1/1/N:1,2,25,24,29,20,3,10,15,11,14,30,26,23,28,21,19,8,9,12,7,4,16,31,27,22,18,6,13,5,17/E:(8,9)(10,11)/rA:31CCCCONCCCCCCOCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-DTZDSNQYNPNCPK_on_Q14831_WT,High,ChEMBL30,CHEMBL1387826,c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,DTZDSNQYNPNCPK,DTZDSNQYNPNCPK-UHFFFAOYSA-N,"InChI=1S/C28H28N2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2","""AuxInfo=1/0/N:1,26,14,20,2,30,25,27,13,15,19,21,3,29,24,28,12,16,18,22,7,8,4,23,11,17,5,10,6,9/E:(1,2,3,4)(5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20)(21,22)(23,24,25,26)(27,28)(29,30)/rA:30CCCCCNCCNCCCCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;d17;s18;d19;s20;s17d21;s5;d23;s24;d25;s26;s23d27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4369686,PMID:30881607,2019.0,PMID:30881607,2019,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-DUBOPCCMOGJPRT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3899706,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)C1CC1)cc2,DUBOPCCMOGJPRT,DUBOPCCMOGJPRT-UHFFFAOYSA-N,"InChI=1S/C23H30N4O2/c1-23(2,3)13-27-19-10-9-18(24-20(19)25(4)22(27)29)17-11-16-8-7-15(17)12-26(16)21(28)14-5-6-14/h9-11,14-16H,5-8,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,26,27,19,18,28,29,16,21,6,25,20,17,15,14,11,12,23,3,7,13,2,22,5,24,4/E:(1,2,3)(5,6)/rA:29CNCONCCCCCCCNCCCCCCCCNCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s25s26;s14;s11d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.190;  6.670,6.93,0.26,0.26,2.0,6.93,0.26
-DUFVRRKYTIGEFW_on_P41594_WT,High,ChEMBL30,CHEMBL3764138,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2-c2ccc(Cl)cc2)cc1,DUFVRRKYTIGEFW,DUFVRRKYTIGEFW-UHFFFAOYSA-N,"InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3","""AuxInfo=1/0/N:1,15,14,16,13,3,27,20,25,21,24,4,26,10,2,19,22,5,17,12,9,18,23,11,7,8,6/E:(6,7)(8,9)(10,11)(12,13)(25,26)/CRV:27.6/rA:27CCCCCSOOCCNCCCCCCCCCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s18;d19;s20;d21;s22;s22;s19d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008946,PMID:26774652,2016.0,PMID:28212015,2017,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-DUGBGRLDXKPEPF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3979694,CCn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1,DUGBGRLDXKPEPF,DUGBGRLDXKPEPF-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O2/c1-2-29-11-14(9-26-29)16-8-18(20(25)30)27-17-7-13(3-4-15(16)17)10-28-5-6-31-19(12-28)21(22,23)24/h3-4,7-9,11,19H,2,5-6,10,12H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,2,16,15,20,21,29,7,30,18,4,28,17,5,14,6,13,8,23,9,24,25,26,27,10,31,12,19,3,11,22/E:(22,23,24)/rA:31CCNCCCCCCNONCCCCCCNCCOCCFFFCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;s13d17;s5;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-DUGBUXVMRDXSDO_on_Q14416_WT,Low,ChEMBL30,CHEMBL106774,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(F)c2ccccc2)cc1,DUGBUXVMRDXSDO,DUGBUXVMRDXSDO-UHFFFAOYSA-N,"InChI=1S/C21H21FN2O2S/c1-2-27(25,26)24(16-17-7-6-14-23-15-17)20-12-10-19(11-13-20)21(22)18-8-4-3-5-9-18/h3-15,21H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,23,22,24,12,13,21,25,16,26,15,27,11,9,7,8,20,17,14,18,19,10,6,4,5,3/E:(4,5)(8,9)(10,11)(12,13)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCFCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;s18;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-DUGNCJWJJGAZFI_on_P41594_WT,High,ChEMBL30,CHEMBL247948,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccn1,DUGNCJWJJGAZFI,DUGNCJWJJGAZFI-UHFFFAOYSA-N,"InChI=1S/C20H13ClN4O3/c21-13-6-7-16(24-18(26)17-22-8-3-9-23-17)12(10-13)11-25-19(27)14-4-1-2-5-15(14)20(25)28/h1-10H,11H2,(H,24,26)","""AuxInfo=1/1/N:18,19,26,17,20,6,5,25,27,9,11,10,7,16,15,4,23,2,21,13,8,24,28,3,12,1,22,14/E:(1,2)(4,5)(8,9)(14,15)(19,20)(22,23)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCNCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-DUHUCHOQIDJXAT_on_P14867_WT,Low,ChEMBL30,CHEMBL190279,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,DUHUCHOQIDJXAT,DUHUCHOQIDJXAT-UHFFFAOYSA-N,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,24,10,9,5,6,15,16,12,22,2,11,13,8,4,7,20,19,17,23,3,14,21/rA:24CCOCCCCCCCCCCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;d20;s20;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4139379;CHEMBL4139380;CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  5.660;  6.300;  6.350,6.103,0.314,0.222,3.0,6.3,0.05
-DUHUCHOQIDJXAT_on_P18507_WT,Low,ChEMBL30,CHEMBL190279,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,DUHUCHOQIDJXAT,DUHUCHOQIDJXAT-UHFFFAOYSA-N,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,24,10,9,5,6,15,16,12,22,2,11,13,8,4,7,20,19,17,23,3,14,21/rA:24CCOCCCCCCCCCCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;d20;s20;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4139379;CHEMBL4139382;CHEMBL4139380;CHEMBL831818,PMID:15801854,2005.0,PMID:28505538;PMID:28505538;PMID:28505538;PMID:15801854,2017;2017;2017;2005,0,1,0,0,0,,=,  5.660;  6.350;  6.300;  5.700,6.002999999999999,0.32299999999999995,0.187,4.0,6.0,0.32
-DUHUCHOQIDJXAT_on_P28472_WT,Low,ChEMBL30,CHEMBL190279,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,DUHUCHOQIDJXAT,DUHUCHOQIDJXAT-UHFFFAOYSA-N,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,24,10,9,5,6,15,16,12,22,2,11,13,8,4,7,20,19,17,23,3,14,21/rA:24CCOCCCCCCCCCCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;d20;s20;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-DUHUCHOQIDJXAT_on_P47869_WT,Low,ChEMBL30,CHEMBL190279,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,DUHUCHOQIDJXAT,DUHUCHOQIDJXAT-UHFFFAOYSA-N,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,24,10,9,5,6,15,16,12,22,2,11,13,8,4,7,20,19,17,23,3,14,21/rA:24CCOCCCCCCCCCCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;d20;s20;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-DUHUCHOQIDJXAT_on_P47870_WT,Low,ChEMBL30,CHEMBL190279,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,DUHUCHOQIDJXAT,DUHUCHOQIDJXAT-UHFFFAOYSA-N,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,24,10,9,5,6,15,16,12,22,2,11,13,8,4,7,20,19,17,23,3,14,21/rA:24CCOCCCCCCCCCCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;d20;s20;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4139380;CHEMBL4139379;CHEMBL831818,PMID:15801854,2005.0,PMID:28505538;PMID:28505538;PMID:15801854,2017;2017;2005,0,1,0,0,0,,=,  6.300;  5.660;  5.700,5.8870000000000005,0.293,0.207,3.0,5.7,0.04
-DUHWKHAOHAPCIH_on_P41594_WT,High,ChEMBL30,CHEMBL2205928,CN(C)c1c2c(ncn1)sc1c2ncn(C2CCCCC2)c1=O,DUHWKHAOHAPCIH,DUHWKHAOHAPCIH-UHFFFAOYSA-N,"InChI=1S/C16H19N5OS/c1-20(2)14-11-12-13(23-15(11)18-8-17-14)16(22)21(9-19-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,8,14,16,5,12,11,4,6,22,9,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCNSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-DUHWKHAOHAPCIH_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205928;57881665,CN(C)c1c2c(ncn1)sc1c2ncn(C2CCCCC2)c1=O,DUHWKHAOHAPCIH,DUHWKHAOHAPCIH-UHFFFAOYSA-N,"InChI=1S/C16H19N5OS/c1-20(2)14-11-12-13(23-15(11)18-8-17-14)16(22)21(9-19-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,8,14,16,5,12,11,4,6,22,9,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCNSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  8.150;  8.155,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-DUJVUIKEVCYLFK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113948,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)cc(C)n1,DUJVUIKEVCYLFK,DUJVUIKEVCYLFK-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-12-8-16(9-13(2)27-12)20-18-6-7-30-14(3)11-29(18)21(28-20)15-4-5-17(23)19(10-15)31-22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,2,29,10,15,4,18,6,20,5,14,22,19,23,24,25,31,27,13,9,21/E:(1,2)(8,9)(12,13)(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCFCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s22;s22;s15d20;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-DUMIHKYUAPGCHM_on_O15303_WT,High,ChEMBL30,CHEMBL566318,Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccccc1,DUMIHKYUAPGCHM,DUMIHKYUAPGCHM-UHFFFAOYSA-N,"InChI=1S/C18H15NOS/c1-12-15(16(20)13-8-4-2-5-9-13)18(19)21-17(12)14-10-6-3-7-11-14/h2-11H,19H2,1H3","""AuxInfo=1/0/N:1,19,7,18,20,6,8,17,21,5,9,2,16,4,13,14,3,11,12,15,10/E:(4,5)(6,7)(8,9)(10,11)/rA:21CCCCCCCCCSCNCCOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s2d11;s13;d14;s14;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-DUMRXYLBLMCHLO_on_P41594_WT,High,ChEMBL30,CHEMBL1779856,CN1CCc2c(ccc(C#Cc3cccnc3)n2)C1=O,DUMRXYLBLMCHLO,DUMRXYLBLMCHLO-UHFFFAOYSA-N,"InChI=1S/C16H13N3O/c1-19-10-8-15-14(16(19)20)7-6-13(18-15)5-4-12-3-2-9-17-11-12/h2-3,6-7,9,11H,8,10H2,1H3","""AuxInfo=1/0/N:1,14,13,11,10,8,7,4,15,3,17,12,9,6,5,19,16,18,2,20/rA:20CNCCCCCCCCCCCCCNCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,0,0,1,0,,=,  4.560,4.56,0.0,0.0,1.0,4.56,0.0
-DUOHNSBKYJHAMQ_on_P14867_WT,Low,ChEMBL30,CHEMBL23497;CHEMBL22676;CHEMBL23497;CHEMBL23497;CHEMBL22676;CHEMBL23497,CC(c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1,DUOHNSBKYJHAMQ,DUOHNSBKYJHAMQ-UHFFFAOYSA-N,"InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,20,6,5,7,4,8,18,17,12,10,2,3,13,14,19,11,21,22,9,15,16/E:(4,5)(6,7)(18,19)/rA:22CCCCCCCCNCNCCCOOCCCCNN/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s11;s9d12;s13;d14;s14;s16;s17;s18;s19;s19;s19w?21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL838371;CHEMBL838372;CHEMBL685376;CHEMBL838372;CHEMBL678630;CHEMBL678630,PMID:12646036,2003.0,PMID:12646036,2003,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  5.920;  4.700;  4.430;  5.700;  4.180;  3.983,4.819,0.737,0.33,6.0,4.565,0.483
-DUOHNSBKYJHAMQ_on_P18507_WT,Low,ChEMBL30,CHEMBL22676;CHEMBL23497;CHEMBL23497;CHEMBL23497;CHEMBL23497;CHEMBL22676,CC(c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1,DUOHNSBKYJHAMQ,DUOHNSBKYJHAMQ-UHFFFAOYSA-N,"InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,20,6,5,7,4,8,18,17,12,10,2,3,13,14,19,11,21,22,9,15,16/E:(4,5)(6,7)(18,19)/rA:22CCCCCCCCNCNCCCOOCCCCNN/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s11;s9d12;s13;d14;s14;s16;s17;s18;s19;s19;s19w?21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678630;CHEMBL685376;CHEMBL838372;CHEMBL838371;CHEMBL678630;CHEMBL838372,PMID:12646036,2003.0,PMID:12646036,2003,1;0;0;0;1;0,0;1;1;1;0;1,0,0,0,,=,  4.180;  4.430;  5.700;  5.920;  3.983;  4.700,4.819,0.737,0.33,6.0,4.565,0.483
-DUOHNSBKYJHAMQ_on_P47870_WT,Low,ChEMBL30,CHEMBL23497;CHEMBL22676;CHEMBL22676;CHEMBL23497;CHEMBL23497;CHEMBL23497,CC(c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1,DUOHNSBKYJHAMQ,DUOHNSBKYJHAMQ-UHFFFAOYSA-N,"InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,20,6,5,7,4,8,18,17,12,10,2,3,13,14,19,11,21,22,9,15,16/E:(4,5)(6,7)(18,19)/rA:22CCCCCCCCNCNCCCOOCCCCNN/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s11;s9d12;s13;d14;s14;s16;s17;s18;s19;s19;s19w?21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678630;CHEMBL678630;CHEMBL838372;CHEMBL838371;CHEMBL685376;CHEMBL838372,PMID:12646036,2003.0,PMID:12646036,2003,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  3.983;  4.180;  4.700;  5.920;  4.430;  5.700,4.819,0.737,0.33,6.0,4.565,0.483
-DUPUDCSUWNHJOF_on_Q13255_WT,High,ChEMBL30,CHEMBL3330806,Cc1c(-n2cnc3c(scc3-c3ccccc3)c2=O)cccc1,DUPUDCSUWNHJOF,DUPUDCSUWNHJOF-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c1-13-7-5-6-10-16(13)21-12-20-17-15(11-23-18(17)19(21)22)14-8-3-2-4-9-14/h2-12H,1H3","""AuxInfo=1/0/N:1,15,14,16,22,21,23,13,17,20,10,5,2,12,11,3,7,8,18,6,4,19,9/E:(3,4)(8,9)/rA:23CCCNCNCCSCCCCCCCCCOCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s7d10;s11;d12;s13;d14;s15;s12d16;s4s8;d18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-DUPYRFFDMXTDGU_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029812;70689928,CCCCn1ccc(-c2ccc(Oc3c(C)nc(C)cc3)cc2)c(C#N)c1=O,DUPYRFFDMXTDGU,DUPYRFFDMXTDGU-UHFFFAOYSA-N,"InChI=1S/C23H23N3O2/c1-4-5-13-26-14-12-20(21(15-24)23(26)27)18-7-9-19(10-8-18)28-22-11-6-16(2)25-17(22)3/h6-12,14H,4-5,13H2,1-3H3","""AuxInfo=1/0/N:1,19,16,2,3,20,10,23,11,22,21,7,4,6,25,18,15,9,12,8,24,14,27,26,17,5,28,13/E:(7,8)(9,10)/rA:28CCCCNCCCCCCCOCCCNCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;s12;s9d22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-DUUGKXAWODQEGB_on_P18507_WT,Low,ChEMBL30,CHEMBL1081495,CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,DUUGKXAWODQEGB,DUUGKXAWODQEGB-UHFFFAOYSA-N,"InChI=1S/C13H11ClN6O2S/c1-23(21,22)18-8-2-3-10-9(4-8)13-15-6-17-20(13)5-11-12(14)16-7-19(10)11/h2-4,6-7,18H,5H2,1H3","""AuxInfo=1/0/N:1,7,8,11,17,14,22,6,10,9,18,19,12,20,13,21,15,5,23,16,3,4,2/E:(21,22)/CRV:23.6/rA:23CSOONCCCCCCCNCNNCCCClNCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;s19;d21;s9s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DUUGKXAWODQEGB_on_P28472_WT,Low,ChEMBL30,CHEMBL1081495,CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,DUUGKXAWODQEGB,DUUGKXAWODQEGB-UHFFFAOYSA-N,"InChI=1S/C13H11ClN6O2S/c1-23(21,22)18-8-2-3-10-9(4-8)13-15-6-17-20(13)5-11-12(14)16-7-19(10)11/h2-4,6-7,18H,5H2,1H3","""AuxInfo=1/0/N:1,7,8,11,17,14,22,6,10,9,18,19,12,20,13,21,15,5,23,16,3,4,2/E:(21,22)/CRV:23.6/rA:23CSOONCCCCCCCNCNNCCCClNCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;s19;d21;s9s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DUUGKXAWODQEGB_on_P31644_WT,Low,ChEMBL30,CHEMBL1081495,CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,DUUGKXAWODQEGB,DUUGKXAWODQEGB-UHFFFAOYSA-N,"InChI=1S/C13H11ClN6O2S/c1-23(21,22)18-8-2-3-10-9(4-8)13-15-6-17-20(13)5-11-12(14)16-7-19(10)11/h2-4,6-7,18H,5H2,1H3","""AuxInfo=1/0/N:1,7,8,11,17,14,22,6,10,9,18,19,12,20,13,21,15,5,23,16,3,4,2/E:(21,22)/CRV:23.6/rA:23CSOONCCCCCCCNCNNCCCClNCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;s19;d21;s9s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-DUZPUNBLJVYZTA_on_P14867_WT,Low,ChEMBL30,CHEMBL3616639,CCCc1ccc(OCC)c(-c2cc(CCC)c(O)c(N)c2)c1,DUZPUNBLJVYZTA,DUZPUNBLJVYZTA-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;s16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.690,4.69,0.0,0.0,1.0,4.69,0.0
-DUZPUNBLJVYZTA_on_P18507_WT,Low,ChEMBL30,CHEMBL3616639,CCCc1ccc(OCC)c(-c2cc(CCC)c(O)c(N)c2)c1,DUZPUNBLJVYZTA,DUZPUNBLJVYZTA-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;s16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.690,4.69,0.0,0.0,1.0,4.69,0.0
-DUZPUNBLJVYZTA_on_P47870_WT,Low,ChEMBL30,CHEMBL3616639,CCCc1ccc(OCC)c(-c2cc(CCC)c(O)c(N)c2)c1,DUZPUNBLJVYZTA,DUZPUNBLJVYZTA-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;s16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.690,4.69,0.0,0.0,1.0,4.69,0.0
-DUZTVXKYJROMJJ_on_O00591_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_O14764_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P14867_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P18505_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P18507_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P28472_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P31644_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P34903_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P47869_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P47870_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P48169_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_P78334_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DUZTVXKYJROMJJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL183157,COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,DUZTVXKYJROMJJ,DUZTVXKYJROMJJ-UHFFFAOYSA-N,"InChI=1S/C13H10Cl2F3N3O2S/c1-23-12(22)8-10(19)21(20-11(8)24-2)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,19H2,1-2H3","""AuxInfo=1/0/N:1,24,12,18,13,10,19,5,9,6,22,3,14,11,20,15,16,17,7,21,8,4,2,23/E:(3,4)(6,7)(14,15)(16,17,18)/rA:24COCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-DVAMQOUUXRPACP_on_P41594_WT,Low,ChEMBL30,CHEMBL1090247,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O,DVAMQOUUXRPACP,DVAMQOUUXRPACP-UHFFFAOYSA-N,"InChI=1S/C15H11N5OS/c1-8-18-13(16)10-11-12(22-14(10)19-8)15(21)20(7-17-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,20,13,2,15,6,11,10,4,7,21,5,12,3,8,14,22,9/E:(3,4)(5,6)/rA:22CCNCNCCNSCCNCNCCCCCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10s14;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-DVAMQOUUXRPACP_on_Q13255_WT,High,ChEMBL30,CHEMBL1090247,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O,DVAMQOUUXRPACP,DVAMQOUUXRPACP-UHFFFAOYSA-N,"InChI=1S/C15H11N5OS/c1-8-18-13(16)10-11-12(22-14(10)19-8)15(21)20(7-17-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,20,13,2,15,6,11,10,4,7,21,5,12,3,8,14,22,9/E:(3,4)(5,6)/rA:22CCNCNCCNSCCNCNCCCCCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10s14;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-DVCFQBZXRPQNDY_on_P41594_WT,Medium,ChEMBL30,CHEMBL186507,c1cnc(-c2nn(-c3cc(-c4ccco4)ccc3)nn2)cc1,DVCFQBZXRPQNDY,DVCFQBZXRPQNDY-UHFFFAOYSA-N,InChI=1S/C16H11N5O/c1-2-9-17-14(7-1)16-18-20-21(19-16)13-6-3-5-12(11-13)15-8-4-10-22-15/h1-11H,"""AuxInfo=1/0/N:22,1,17,13,16,18,21,12,2,14,9,10,8,4,11,5,3,20,6,19,7,15/rA:22CCNCCNNCCCCCCCOCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s11s14;d10;s16;s8d17;s7;s5d19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-DVJBOOXNZRWAJZ_on_O15399_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_O60391_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVJBOOXNZRWAJZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL40652,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,DVJBOOXNZRWAJZ,DVJBOOXNZRWAJZ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-DVKMXHQBKKJVOC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112129,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)cc(C)n1,DVKMXHQBKKJVOC,DVKMXHQBKKJVOC-UHFFFAOYSA-N,"InChI=1S/C22H20F5N3O/c1-12-7-15(8-13(2)28-12)20-19-5-6-31-16(10-23)11-30(19)21(29-20)14-3-4-18(24)17(9-14)22(25,26)27/h3-4,7-9,16H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,30,17,18,7,8,3,28,26,11,13,2,29,16,4,10,21,19,6,5,15,22,12,20,23,24,25,31,27,14,9/E:(1,2)(7,8)(12,13)(25,26,27)/rA:31CCCCCCCCOCCFCNCCCCCFCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s22;s22;s22;s16d21;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-DVLSPCACOOOPDP_on_P14867_WT,Medium,ChEMBL30,CHEMBL343471,Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,DVLSPCACOOOPDP,DVLSPCACOOOPDP-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,22,21,23,20,3,30,4,29,10,9,13,24,2,5,17,12,18,11,16,14,6,26,19,15,28,8,25,7,27/E:(6,7)(8,9)/rA:30CCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s14s24;s25;s26;s11d26;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-DVLSPCACOOOPDP_on_P31644_WT,Medium,ChEMBL30,CHEMBL343471,Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,DVLSPCACOOOPDP,DVLSPCACOOOPDP-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,22,21,23,20,3,30,4,29,10,9,13,24,2,5,17,12,18,11,16,14,6,26,19,15,28,8,25,7,27/E:(6,7)(8,9)/rA:30CCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s14s24;s25;s26;s11d26;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-DVLSPCACOOOPDP_on_P34903_WT,Medium,ChEMBL30,CHEMBL343471,Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,DVLSPCACOOOPDP,DVLSPCACOOOPDP-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,22,21,23,20,3,30,4,29,10,9,13,24,2,5,17,12,18,11,16,14,6,26,19,15,28,8,25,7,27/E:(6,7)(8,9)/rA:30CCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s14s24;s25;s26;s11d26;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-DVLSPCACOOOPDP_on_P47869_WT,Medium,ChEMBL30,CHEMBL343471,Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,DVLSPCACOOOPDP,DVLSPCACOOOPDP-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,22,21,23,20,3,30,4,29,10,9,13,24,2,5,17,12,18,11,16,14,6,26,19,15,28,8,25,7,27/E:(6,7)(8,9)/rA:30CCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s14s24;s25;s26;s11d26;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-DVMQKRGCWAAYQR_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,44189740;CHEMBL541754;CHEMBL541754;CHEMBL541754,O=C(Nc1cc(OC(F)F)ccc1)c1ccccn1,DVMQKRGCWAAYQR,DVMQKRGCWAAYQR-UHFFFAOYSA-N,"InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)","""AuxInfo=1/1/N:16,17,12,13,11,15,18,5,4,6,14,2,8,9,10,19,3,1,7/E:(14,15)/rA:19OCNCCCOCFFCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s8;s8;d6;s11;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2180;CHEMBL3610660;CHEMBL3610662;CHEMBL3610662,PubChemAID:2197,2009.0,PubChemAID:2180;PMID:26231155;PMID:26231155;PMID:26231155,2009;2015;2015;2015,0;0;1;1,0;1;0;0,0,0,1;0;0;0,,=, 12.411;  6.470;  8.340;  8.340,8.89,2.171,1.254,4.0,8.34,0.935
-DVMZWHWOEFJTFY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3924235,CC1(C)CCN(c2cnc(C#Cc3cccc(F)c3)cn2)C(=O)N1,DVMZWHWOEFJTFY,DVMZWHWOEFJTFY-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)8-9-23(17(24)22-18)16-12-20-15(11-21-16)7-6-13-4-3-5-14(19)10-13/h3-5,10-12H,8-9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,15,14,16,12,11,4,5,19,20,8,13,17,10,7,22,2,18,9,21,24,6,23/E:(1,2)/rA:24CCCCCNCCNCCCCCCCCFCCNCON/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-DVNQGDSJUVPOBU_on_P14867_WT,Medium,ChEMBL30,CHEMBL358519,CCC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,DVNQGDSJUVPOBU,DVNQGDSJUVPOBU-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25)","""AuxInfo=1/1/N:1,2,19,18,20,17,7,6,10,21,14,9,15,8,13,3,11,23,16,12,25,5,22,4,24/rA:25CCCONCCCCCCNCCCFCCCCCNCON/rB:s1;s2;d3;s3;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-DVNQGDSJUVPOBU_on_P34903_WT,Medium,ChEMBL30,CHEMBL358519,CCC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,DVNQGDSJUVPOBU,DVNQGDSJUVPOBU-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25)","""AuxInfo=1/1/N:1,2,19,18,20,17,7,6,10,21,14,9,15,8,13,3,11,23,16,12,25,5,22,4,24/rA:25CCCONCCCCCCNCCCFCCCCCNCON/rB:s1;s2;d3;s3;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-DVNQGDSJUVPOBU_on_P47869_WT,Medium,ChEMBL30,CHEMBL358519,CCC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,DVNQGDSJUVPOBU,DVNQGDSJUVPOBU-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25)","""AuxInfo=1/1/N:1,2,19,18,20,17,7,6,10,21,14,9,15,8,13,3,11,23,16,12,25,5,22,4,24/rA:25CCCONCCCCCCNCCCFCCCCCNCON/rB:s1;s2;d3;s3;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-DVNWKUJYFPKVSU_on_P41594_WT,High,ChEMBL30,CHEMBL3601913,COCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,DVNWKUJYFPKVSU,DVNWKUJYFPKVSU-UHFFFAOYSA-N,"InChI=1S/C18H18ClN5O2S/c1-11-3-4-13(9-21-11)23-16-14(19)7-12(8-22-16)15(10-26-2)24-17(25)18-20-5-6-27-18/h3-9,15H,10H2,1-2H3,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:23,1,21,20,10,11,14,27,25,3,22,13,19,15,4,17,6,8,16,9,24,26,18,5,7,2,12/rA:27COCCNCOCNCCSCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-DVODXJFUGUAVQQ_on_Q14833_WT,High,ChEMBL30,CHEMBL4245399,Cn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cn2,DVODXJFUGUAVQQ,DVODXJFUGUAVQQ-UHFFFAOYSA-N,"InChI=1S/C16H15N7/c1-23-12-7-10(8-18-15(12)13(22-23)9-4-5-9)19-16-14-11(20-21-16)3-2-6-17-14/h2-3,6-9H,4-5H2,1H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,17,18,6,7,16,10,22,5,11,19,9,4,14,8,13,15,23,12,20,21,3,2/E:(4,5)/rA:23CNNCCCCCCCCNCCNCCCCNNCN/rB:s1;s2;d3;s4;s5;s5s6;s4;s2d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s11;s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-DVOIUKJJGVEDAQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL595761,Cn1c(CN2CCN(c3ccc(C#N)cc3)CC2)nc2c1cccc2,DVOIUKJJGVEDAQ,DVOIUKJJGVEDAQ-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-23-19-5-3-2-4-18(19)22-20(23)15-24-10-12-25(13-11-24)17-8-6-16(14-21)7-9-17/h2-9H,10-13,15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,11,15,10,16,6,18,7,17,13,4,12,9,20,21,3,14,19,2,5,8/E:(6,7)(8,9)(10,11)(12,13)/rA:25CNCCNCCNCCCCCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;t13;s12;s9d15;s8;s5s17;d3;s19;s2d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-DVVOGWYOYHNNQP_on_P18507_WT,Low,ChEMBL30,CHEMBL1783276,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,DVVOGWYOYHNNQP,DVVOGWYOYHNNQP-UHFFFAOYSA-N,"InChI=1S/C23H22FN3O3/c1-29-13-6-9-18(30-2)15(10-13)19-16(24)8-7-14-21(25)20-17(26-22(14)19)11-27(23(20)28)12-4-3-5-12/h6-10,12H,3-5,11H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,30,20,22,3,15,9,11,19,6,10,18,16,29,26,12,17,28,21,27,2,7/E:(4,5)/rA:30COCCCCOCCCCFCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s23;s22s24;s18s21;d26;s19;s10s15d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-DVVOGWYOYHNNQP_on_P28472_WT,Low,ChEMBL30,CHEMBL1783276,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,DVVOGWYOYHNNQP,DVVOGWYOYHNNQP-UHFFFAOYSA-N,"InChI=1S/C23H22FN3O3/c1-29-13-6-9-18(30-2)15(10-13)19-16(24)8-7-14-21(25)20-17(26-22(14)19)11-27(23(20)28)12-4-3-5-12/h6-10,12H,3-5,11H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,30,20,22,3,15,9,11,19,6,10,18,16,29,26,12,17,28,21,27,2,7/E:(4,5)/rA:30COCCCCOCCCCFCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s23;s22s24;s18s21;d26;s19;s10s15d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-DVVOGWYOYHNNQP_on_P47869_WT,Low,ChEMBL30,CHEMBL1783276,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,DVVOGWYOYHNNQP,DVVOGWYOYHNNQP-UHFFFAOYSA-N,"InChI=1S/C23H22FN3O3/c1-29-13-6-9-18(30-2)15(10-13)19-16(24)8-7-14-21(25)20-17(26-22(14)19)11-27(23(20)28)12-4-3-5-12/h6-10,12H,3-5,11H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,30,20,22,3,15,9,11,19,6,10,18,16,29,26,12,17,28,21,27,2,7/E:(4,5)/rA:30COCCCCOCCCCFCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s23;s22s24;s18s21;d26;s19;s10s15d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-DWAMRDOLBKMLPZ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258915,COCCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,DWAMRDOLBKMLPZ,DWAMRDOLBKMLPZ-UHFFFAOYSA-N,"InChI=1S/C19H24F3N5O3S/c1-30-7-6-24-8-11-9-27(26-16(11)19(20,21)22)10-14(28)25-18-15(17(23)29)12-4-2-3-5-13(12)31-18/h9,24H,2-8,10H2,1H3,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:1,23,22,24,21,4,3,6,8,10,7,19,20,11,15,27,16,14,28,29,30,31,17,5,13,26,9,12,18,2,25/E:(20,21,22)/rA:31COCCNCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s11;s13;d14;s15;s16;d16;s15;d19;s20;s21;s22;s19s23;s14s20;s9;s7d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-DWCHXBLBFRYLBN_on_P41594_WT,High,ChEMBL30,CHEMBL1682818,Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1,DWCHXBLBFRYLBN,DWCHXBLBFRYLBN-UHFFFAOYSA-N,"InChI=1S/C17H16O3/c1-12-3-2-4-13(9-12)11-20-14-5-6-15-16(18)7-8-19-17(15)10-14/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,10,11,15,16,20,19,7,2,6,9,12,13,18,14,17,8/rA:20CCCCCCCOCCCCCOCCOCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s12s17;s9d18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.240;  6.240,6.24,0.0,0.0,2.0,6.24,0.0
-DWDWCMMYVDXENC_on_P41594_WT,High,ChEMBL30,CHEMBL3314804,O=C(Nc1cc(Oc2cccnc2)ccn1)c1cc(Cl)ccc1,DWDWCMMYVDXENC,DWDWCMMYVDXENC-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(9-13)17(22)21-16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22)","""AuxInfo=1/1/N:22,10,23,21,9,14,11,15,18,5,13,17,19,6,8,4,2,20,12,16,3,1,7/rA:23OCNCCCOCCCCNCCCNCCCClCCC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d6;s14;s4d15;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-DWEPHBCGVLXMBR_on_P14867_WT,Low,ChEMBL30,CHEMBL197302,Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1,DWEPHBCGVLXMBR,DWEPHBCGVLXMBR-UHFFFAOYSA-N,InChI=1S/C16H11BrN2/c17-15-8-4-7-13(9-15)14-10-16(19-18-11-14)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:13,12,14,4,11,15,5,3,19,8,18,10,6,7,2,9,1,17,16/E:(2,3)(5,6)/rA:19BrCCCCCCCCCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-DWEPHBCGVLXMBR_on_P18507_WT,Low,ChEMBL30,CHEMBL197302,Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1,DWEPHBCGVLXMBR,DWEPHBCGVLXMBR-UHFFFAOYSA-N,InChI=1S/C16H11BrN2/c17-15-8-4-7-13(9-15)14-10-16(19-18-11-14)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:13,12,14,4,11,15,5,3,19,8,18,10,6,7,2,9,1,17,16/E:(2,3)(5,6)/rA:19BrCCCCCCCCCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882866;CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.120;  8.100;  7.820,8.013,0.13699999999999998,0.09699999999999999,3.0,8.1,0.02
-DWEPHBCGVLXMBR_on_P28472_WT,Low,ChEMBL30,CHEMBL197302,Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1,DWEPHBCGVLXMBR,DWEPHBCGVLXMBR-UHFFFAOYSA-N,InChI=1S/C16H11BrN2/c17-15-8-4-7-13(9-15)14-10-16(19-18-11-14)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:13,12,14,4,11,15,5,3,19,8,18,10,6,7,2,9,1,17,16/E:(2,3)(5,6)/rA:19BrCCCCCCCCCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.100;  7.820;  8.120,8.013,0.13699999999999998,0.09699999999999999,3.0,8.1,0.02
-DWEPHBCGVLXMBR_on_P31644_WT,Low,ChEMBL30,CHEMBL197302,Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1,DWEPHBCGVLXMBR,DWEPHBCGVLXMBR-UHFFFAOYSA-N,InChI=1S/C16H11BrN2/c17-15-8-4-7-13(9-15)14-10-16(19-18-11-14)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:13,12,14,4,11,15,5,3,19,8,18,10,6,7,2,9,1,17,16/E:(2,3)(5,6)/rA:19BrCCCCCCCCCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-DWEPHBCGVLXMBR_on_P34903_WT,Low,ChEMBL30,CHEMBL197302,Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1,DWEPHBCGVLXMBR,DWEPHBCGVLXMBR-UHFFFAOYSA-N,InChI=1S/C16H11BrN2/c17-15-8-4-7-13(9-15)14-10-16(19-18-11-14)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:13,12,14,4,11,15,5,3,19,8,18,10,6,7,2,9,1,17,16/E:(2,3)(5,6)/rA:19BrCCCCCCCCCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-DWGZPEYGZICFRZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2365364;71717643,CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1,DWGZPEYGZICFRZ,DWGZPEYGZICFRZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-3-15-5-4-6-18(24-15)19-20(13-7-8-17-14(10-13)11-23-26-17)27-29-22(19)25-21(28)16-9-12(16)2/h4-8,10-12,16H,3,9H2,1-2H3,(H,23,26)(H,25,28)","""AuxInfo=1/1/N:1,14,2,28,29,27,19,20,12,26,24,13,18,25,3,11,21,5,6,17,9,7,23,4,8,22,16,10,15/rA:29CCCNCCCNCOCCCCSNCCCCCNNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;d5;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546;PubChemAID:733654,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733654,2013,1;0,0,0,0,0;1,,=,  7.440;  7.444,7.442,0.002,0.002,2.0,7.442,0.002
-DWGZPEYGZICFRZ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,71717643;CHEMBL2365364,CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1,DWGZPEYGZICFRZ,DWGZPEYGZICFRZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-3-15-5-4-6-18(24-15)19-20(13-7-8-17-14(10-13)11-23-26-17)27-29-22(19)25-21(28)16-9-12(16)2/h4-8,10-12,16H,3,9H2,1-2H3,(H,23,26)(H,25,28)","""AuxInfo=1/1/N:1,14,2,28,29,27,19,20,12,26,24,13,18,25,3,11,21,5,6,17,9,7,23,4,8,22,16,10,15/rA:29CCCNCCCNCOCCCCSNCCCCCNNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;d5;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  5.507;  5.510,5.507999999999999,0.002,0.002,2.0,5.507999999999999,0.002
-DWHLLFJNQYENJN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL202610;11658509,Cc1nc(C#Cc2cscc2)cs1,DWHLLFJNQYENJN,DWHLLFJNQYENJN-UHFFFAOYSA-N,"InChI=1S/C10H7NS2/c1-8-11-10(7-13-8)3-2-9-4-5-12-6-9/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,11,10,8,12,2,7,4,3,9,13/rA:13CCNCCCCCSCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s7d10;d4;s2s12;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  6.470;  6.472,6.471,0.001,0.001,2.0,6.471,0.001
-DWINRXHWBSCXEF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3891986,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(Cl)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,DWINRXHWBSCXEF,DWINRXHWBSCXEF-UHFFFAOYSA-N,"InChI=1S/C23H19ClF3N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(28)33)29-18(16)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)","""AuxInfo=1/1/N:1,2,10,15,20,16,19,11,28,21,8,6,9,14,17,12,13,27,22,5,23,3,31,18,32,33,34,24,26,30,29,7,25,4/E:(4,5)(6,7)(25,26,27)/rA:34CCCOCCNCCCCCCCCCCClCCCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-DWLOVDOPFJPWNE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL39338,NC(CC(CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O,DWLOVDOPFJPWNE,DWLOVDOPFJPWNE-UHFFFAOYSA-N,"InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:12,18,11,13,17,19,6,10,14,16,20,5,7,3,9,15,4,8,2,21,24,1,22,23,25,26/E:(1,2)(3,4,5,6)(8,9,10,11)(15,16)(23,24)(25,26)/rA:26NCCCCCCCCCCCCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s4;d21;s21;s2;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717363;CHEMBL718218;CHEMBL717365,PMID:9871538,1998.0,PMID:10229625;PMID:10893301;PMID:9871538,1999;2000;1998,1;0;1,0,0,0;1;0,0,,=,  6.400;  4.300;  4.300,5.0,0.99,0.7,3.0,4.3,0.0
-DWLOVDOPFJPWNE_on_Q14832_WT,Medium,ChEMBL30,CHEMBL39338,NC(CC(CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O,DWLOVDOPFJPWNE,DWLOVDOPFJPWNE-UHFFFAOYSA-N,"InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:12,18,11,13,17,19,6,10,14,16,20,5,7,3,9,15,4,8,2,21,24,1,22,23,25,26/E:(1,2)(3,4,5,6)(8,9,10,11)(15,16)(23,24)(25,26)/rA:26NCCCCCCCCCCCCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s4;d21;s21;s2;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238;CHEMBL717236,PMID:9871538,1998.0,PMID:10893301;PMID:9871538,2000;1998,0;1,0,0,1;0,0,,=,  4.520;  4.520,4.52,0.0,0.0,2.0,4.52,0.0
-DWNLJXJSBWWWOW_on_P41594_WT,Medium,ChEMBL30,CHEMBL184668,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2Oc2ccccc2)c1,DWNLJXJSBWWWOW,DWNLJXJSBWWWOW-UHFFFAOYSA-N,InChI=1S/C24H16FN5O/c25-18-14-17(21-10-4-5-12-23(21)31-20-8-2-1-3-9-20)15-19(16-18)30-28-24(27-29-30)22-11-6-7-13-26-22/h1-16H,"""AuxInfo=1/0/N:28,27,29,20,21,13,12,26,30,19,14,22,11,31,16,3,17,2,4,25,18,9,23,8,1,10,7,15,6,5,24/E:(2,3)(8,9)/rA:31FCCCNNNCCNCCCCNCCCCCCCCOCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s23;s24;d25;s26;d27;s28;s25d29;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-DWPQODZAOSWNHB_on_P41594_WT,High,ChEMBL30,CHEMBL239800,CN1CC(=O)N=C1NC(=O)Nc1cc(Cl)ccc1,DWPQODZAOSWNHB,DWPQODZAOSWNHB-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:1,17,16,18,13,3,14,12,4,7,9,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCClCCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194;CHEMBL1118810;CHEMBL4157622;CHEMBL4413473;CHEMBL4413470;CHEMBL4157622;CHEMBL3768175;CHEMBL860564,PMID:16380255,2006.0,PMID:22523618;PMID:20483612;PMID:30143366;PMID:30624919;PMID:30624919;PMID:30143366;PMID:26774652;PMID:16380255,2011;2010;2018;2019;2019;2018;2016;2006,1;0;0;1;0;0;1;1,0,0,0;1;1;0;1;1;0;0,0,,=,  7.370;  8.170;  7.480;  7.440;  6.790;  7.500;  7.290;  6.480,7.315,0.47200000000000003,0.179,8.0,7.405,0.105
-DWPQODZAOSWNHB_on_Q13255_WT,High,ChEMBL30,CHEMBL239800,CN1CC(=O)N=C1NC(=O)Nc1cc(Cl)ccc1,DWPQODZAOSWNHB,DWPQODZAOSWNHB-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:1,17,16,18,13,3,14,12,4,7,9,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCClCCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1211882,PMID:20615697,2010.0,PMID:20615697,2010,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-DWXLBPCMGAGPJI_on_Q14416_WT,High,ChEMBL30,CHEMBL3765537,Cc1c(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc(CO)cc1,DWXLBPCMGAGPJI,DWXLBPCMGAGPJI-UHFFFAOYSA-N,"InChI=1S/C20H25N3O2/c1-13-6-7-14(11-24)10-15(13)16-8-9-17-18(21-16)22(5)19(25)23(17)12-20(2,3)4/h6-10,24H,11-12H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,11,25,24,5,6,20,22,15,2,21,3,4,7,8,12,16,9,10,14,23,13/E:(2,3,4)/rA:25CCCCCCCCNNCCONCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s8;s10;s10;d12;s7s12;s14;s15;s16;s16;s16;s3;d20;s21;s22;s21;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-DWYFSALUWXZUFR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3957035,CN1C(=O)N(c2cnc(C#Cc3ccccc3)cn2)CCC1(C)C,DWYFSALUWXZUFR,DWYFSALUWXZUFR-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-19(2)11-12-23(18(24)22(19)3)17-14-20-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,13-14H,11-12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,15,14,16,13,17,11,10,21,20,18,7,12,9,6,3,22,8,19,2,5,4/E:(1,2)(5,6)(7,8)/rA:24CNCONCCNCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-DXCKAYBKZBTPNN_on_P14867_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-DXCKAYBKZBTPNN_on_P18507_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240;  6.820;  7.390;  7.110;  7.060,7.124,0.19,0.095,5.0,7.11,0.13
-DXCKAYBKZBTPNN_on_P28472_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240;  7.110;  7.060;  6.820;  7.390,7.124,0.19,0.095,5.0,7.11,0.13
-DXCKAYBKZBTPNN_on_P31644_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.060;  7.390,7.225,0.165,0.165,2.0,7.225,0.165
-DXCKAYBKZBTPNN_on_P34903_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-DXCKAYBKZBTPNN_on_P47869_WT,Low,ChEMBL30,CHEMBL175856,OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1,DXCKAYBKZBTPNN,DXCKAYBKZBTPNN-UHFFFAOYSA-N,"InChI=1S/C25H30N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-5,16-19,30H,6-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-DXFDIQNGJWQJGA_on_O15399_WT,Low,ChEMBL30,CHEMBL146168;CHEMBL141985;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748788;CHEMBL748787;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.500;  5.800;  6.030,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_O60391_WT,Low,ChEMBL30,CHEMBL141985;CHEMBL146168;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787;CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.800;  4.500;  6.030,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL146168;CHEMBL141985;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787;CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.030;  5.800;  4.500,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_Q05586_WT,Low,ChEMBL30,CHEMBL146168;CHEMBL141985;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748788;CHEMBL748787;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.500;  5.800;  6.030,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_Q12879_WT,Low,ChEMBL30,CHEMBL141985;CHEMBL146168;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787;CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.800;  4.500;  6.030,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_Q13224_WT,Low,ChEMBL30,CHEMBL146168;CHEMBL141985;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.500;  5.800;  6.030,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXFDIQNGJWQJGA_on_Q14957_WT,Low,ChEMBL30,CHEMBL146168;CHEMBL141985;CHEMBL146168,NC(CCc1n[nH]nn1)C(=O)O,DXFDIQNGJWQJGA,DXFDIQNGJWQJGA-UHFFFAOYSA-N,"InChI=1S/C5H9N5O2/c6-3(5(11)12)1-2-4-7-9-10-8-4/h3H,1-2,6H2,(H,11,12)(H,7,8,9,10)","""AuxInfo=1/1/N:3,4,2,5,10,1,6,9,7,8,11,12/E:(7,8)(9,10)(11,12)/rA:12NCCCCNNNNCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.030;  5.800;  4.500,5.443,0.674,0.47600000000000003,3.0,5.8,0.23
-DXGARAMIKHFTJV_on_O15399_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_O60391_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_Q05586_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_Q12879_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_Q13224_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXGARAMIKHFTJV_on_Q14957_WT,Low,ChEMBL30,CHEMBL78083,CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1,DXGARAMIKHFTJV,DXGARAMIKHFTJV-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,4,20,13,17,5,19,12,18,3,14,6,11,8,9,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCNCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s14;s11d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-DXHZIQQVBBPMDE_on_P14867_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.020;  5.020,5.02,0.0,0.0,2.0,5.02,0.0
-DXHZIQQVBBPMDE_on_P18507_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL678329;CHEMBL683047;CHEMBL824296;CHEMBL823916;CHEMBL822165;CHEMBL681480;CHEMBL682251;CHEMBL683045;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;2000;1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  5.590;  5.020;  4.520;  4.520;  4.810;  5.020;  5.590;  4.810;  4.520;  4.520,4.8919999999999995,0.397,0.132,10.0,4.81,0.29
-DXHZIQQVBBPMDE_on_P28472_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL683045;CHEMBL681480;CHEMBL681248;CHEMBL823916;CHEMBL822165;CHEMBL678329;CHEMBL685338;CHEMBL683047;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;1998;1998;2000;1998;1998;1998,0,0,0,1,0,,=,  4.810;  4.520;  5.590;  4.520;  4.810;  5.020;  5.020;  5.590;  4.520;  4.520,4.8919999999999995,0.397,0.132,10.0,4.81,0.29
-DXHZIQQVBBPMDE_on_P31644_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.590;  5.590,5.59,0.0,0.0,2.0,5.59,0.0
-DXHZIQQVBBPMDE_on_P34903_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  4.810;  4.810,4.81,0.0,0.0,2.0,4.81,0.0
-DXHZIQQVBBPMDE_on_P47869_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.520;  4.520,4.52,0.0,0.0,2.0,4.52,0.0
-DXHZIQQVBBPMDE_on_Q16445_WT,Low,ChEMBL30,CHEMBL47853,CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,DXHZIQQVBBPMDE,DXHZIQQVBBPMDE-UHFFFAOYSA-N,"InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,17,16,20,6,9,22,18,14,7,15,8,12,19,23,10,3,21,13/E:(1,2)(4,5)/rA:23CCNCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  4.520;  4.520,4.52,0.0,0.0,2.0,4.52,0.0
-DXMSFQCLDURRBX_on_O15399_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_O60391_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_Q05586_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_Q12879_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_Q13224_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXMSFQCLDURRBX_on_Q14957_WT,Low,ChEMBL30,CHEMBL12242,O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1,DXMSFQCLDURRBX,DXMSFQCLDURRBX-UHFFFAOYSA-N,"InChI=1S/C9H8N3O8P/c13-7-8(14)11-6-4(9(15)21(18,19)20)1-3(12(16)17)2-5(6)10-7/h1-2,9,15H,(H,10,13)(H,11,14)(H2,18,19,20)","""AuxInfo=1/1/N:5,21,4,6,20,13,17,15,7,19,14,2,18,16,8,1,3,10,11,12,9/E:(16,17)(18,19,20)/CRV:12.5/rA:21ON+O-CCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s7;d9;s9;s9;d6;s13;d14;s15;s15;s17;d17;s13s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-DXPCEAZKJSYFJM_on_P14867_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-DXPCEAZKJSYFJM_on_P18507_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660;  8.090;  9.260;  8.510,8.38,0.59,0.341,4.0,8.3,0.425
-DXPCEAZKJSYFJM_on_P28472_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660;  9.260;  8.090;  8.510,8.38,0.59,0.341,4.0,8.3,0.425
-DXPCEAZKJSYFJM_on_P31644_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.260,9.26,0.0,0.0,1.0,9.26,0.0
-DXPCEAZKJSYFJM_on_P34903_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-DXPCEAZKJSYFJM_on_P47869_WT,Low,ChEMBL30,CHEMBL179777,c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1,DXPCEAZKJSYFJM,DXPCEAZKJSYFJM-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,19,18,13,16,25,22,4,14,9,10,5,8,11,17,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-DXQNSMRICOYPJA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3976037,CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,DXQNSMRICOYPJA,DXQNSMRICOYPJA-UHFFFAOYSA-N,"InChI=1S/C21H23N3O/c1-16(2)24-20(25)23(15-21(24,3)4)19-13-12-18(14-22-19)11-10-17-8-6-5-7-9-17/h5-9,12-14,16H,15H2,1-4H3","""AuxInfo=1/0/N:1,3,24,25,17,16,18,15,19,13,12,10,9,20,22,2,14,11,8,5,23,21,7,4,6/E:(1,2)(3,4)(6,7)(8,9)/rA:25CCCNCONCCCCCCCCCCCCCNCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;s4s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-DXRZFDYGJGBYNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1079691,Clc1c2Cn3ncnc3-c3c(ccc(-c4ccccc4)c3)-n2cn1,DXRZFDYGJGBYNQ,DXRZFDYGJGBYNQ-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5/c19-17-16-9-24-18(20-10-22-24)14-8-13(12-4-2-1-3-5-12)6-7-15(14)23(16)11-21-17/h1-8,10-11H,9H2","""AuxInfo=1/0/N:18,17,19,16,20,13,12,21,4,7,23,15,14,10,11,3,2,9,1,8,24,6,22,5/E:(2,3)(4,5)/rA:24ClCCCNNCNCCCCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s3s11;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-DXRZFDYGJGBYNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1079691,Clc1c2Cn3ncnc3-c3c(ccc(-c4ccccc4)c3)-n2cn1,DXRZFDYGJGBYNQ,DXRZFDYGJGBYNQ-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5/c19-17-16-9-24-18(20-10-22-24)14-8-13(12-4-2-1-3-5-12)6-7-15(14)23(16)11-21-17/h1-8,10-11H,9H2","""AuxInfo=1/0/N:18,17,19,16,20,13,12,21,4,7,23,15,14,10,11,3,2,9,1,8,24,6,22,5/E:(2,3)(4,5)/rA:24ClCCCNNCNCCCCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s3s11;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-DXRZFDYGJGBYNQ_on_P31644_WT,Low,ChEMBL30,CHEMBL1079691,Clc1c2Cn3ncnc3-c3c(ccc(-c4ccccc4)c3)-n2cn1,DXRZFDYGJGBYNQ,DXRZFDYGJGBYNQ-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5/c19-17-16-9-24-18(20-10-22-24)14-8-13(12-4-2-1-3-5-12)6-7-15(14)23(16)11-21-17/h1-8,10-11H,9H2","""AuxInfo=1/0/N:18,17,19,16,20,13,12,21,4,7,23,15,14,10,11,3,2,9,1,8,24,6,22,5/E:(2,3)(4,5)/rA:24ClCCCNNCNCCCCCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s3s11;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-DXSIUJMZGGYSFI_on_P18507_WT,Low,ChEMBL30,CHEMBL1783277,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,DXSIUJMZGGYSFI,DXSIUJMZGGYSFI-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O3/c1-28-12-5-8-17(29-2)14(9-12)18-15(23)7-6-13-20(24)19-16(25-21(13)18)10-26(22(19)27)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,29,20,22,3,15,9,11,19,6,10,18,16,28,25,12,17,27,21,26,2,7/E:(3,4)/rA:29COCCCCOCCCCFCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s22s23;s18s21;d25;s19;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-DXSIUJMZGGYSFI_on_P28472_WT,Low,ChEMBL30,CHEMBL1783277,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,DXSIUJMZGGYSFI,DXSIUJMZGGYSFI-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O3/c1-28-12-5-8-17(29-2)14(9-12)18-15(23)7-6-13-20(24)19-16(25-21(13)18)10-26(22(19)27)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,29,20,22,3,15,9,11,19,6,10,18,16,28,25,12,17,27,21,26,2,7/E:(3,4)/rA:29COCCCCOCCCCFCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s22s23;s18s21;d25;s19;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-DXSIUJMZGGYSFI_on_P47869_WT,Low,ChEMBL30,CHEMBL1783277,COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,DXSIUJMZGGYSFI,DXSIUJMZGGYSFI-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O3/c1-28-12-5-8-17(29-2)14(9-12)18-15(23)7-6-13-20(24)19-16(25-21(13)18)10-26(22(19)27)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,29,20,22,3,15,9,11,19,6,10,18,16,28,25,12,17,27,21,26,2,7/E:(3,4)/rA:29COCCCCOCCCCFCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;d18;s19;s20;s21;s22;s22s23;s18s21;d25;s19;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-DXTYGLAQRALLEG_on_O00591_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_O14764_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P14867_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P18505_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P18507_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P28472_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P31644_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P34903_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P47869_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P47870_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P48169_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_P78334_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_Q16445_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXTYGLAQRALLEG_on_Q99928_WT,Low,ChEMBL30,CHEMBL31714,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1,DXTYGLAQRALLEG,DXTYGLAQRALLEG-UHFFFAOYSA-N,"InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3","""AuxInfo=1/0/N:1,33,32,34,20,27,12,36,13,35,26,21,6,7,18,30,9,16,2,19,17,28,11,14,24,4,5,25,22,29,8,3,23,10,15,31/E:(7,8)(9,10)/rA:36CCNCCCCNCNCCCCOCCCCCCCNCCCCCFCSCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s22s25;d19;s32;s17d33;s14;s11d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DXXJDGIZZRMJON_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953821,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1,DXXJDGIZZRMJON,DXXJDGIZZRMJON-UHFFFAOYSA-N,"InChI=1S/C20H16FN3O3/c21-14-4-2-13(3-5-14)16-10-18(19(22)25)23-17-9-12(1-6-15(16)17)11-24-7-8-27-20(24)26/h1-6,9-10H,7-8,11H2,(H2,22,25)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,21,25,5,18,17,7,10,14,6,26,4,2,23,11,1,27,19,3,24,22/E:(2,3)(4,5)/rA:27NCOCCCCCCCFCCCCCCCNCCOCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s19s22;d23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-DXXKBWRRNFQTHZ_on_Q14833_WT,High,ChEMBL30,CHEMBL1922760,O=C(COc1ccccc1-c1ncccc1)c1ccc(Cl)nc1,DXXKBWRRNFQTHZ,DXXKBWRRNFQTHZ-UHFFFAOYSA-N,"InChI=1S/C18H13ClN2O2/c19-18-9-8-13(11-21-18)16(22)12-23-17-7-2-1-5-14(17)15-6-3-4-10-20-15/h1-11H,12H2","""AuxInfo=1/0/N:8,7,15,14,9,16,6,18,19,13,23,3,17,10,11,2,5,20,21,12,22,1,4/rA:23OCCOCCCCCCCNCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-DYAMDVYBLGVRFS_on_P41594_WT,High,ChEMBL30,CHEMBL593141,CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1,DYAMDVYBLGVRFS,DYAMDVYBLGVRFS-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,4,3,10,16,19,15,20,11,5,22,23,2,9,17,14,12,7,18,21,13,6,8/E:(5,6)(7,8)/rA:23CCCCCNCOCCCCNCCCCClCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s9d21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-DYCLHZPOADTVKK_on_P18507_WT,Low,ChEMBL30,CHEMBL71460,Nc1nc(CC(=O)O)cs1,DYCLHZPOADTVKK,DYCLHZPOADTVKK-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;d2;s3;s4;s5;d6;s6;d4;s2s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.610;  4.620,4.615,0.005,0.005,2.0,4.615,0.005
-DYCLHZPOADTVKK_on_P31644_WT,Low,ChEMBL30,CHEMBL71460,Nc1nc(CC(=O)O)cs1,DYCLHZPOADTVKK,DYCLHZPOADTVKK-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;d2;s3;s4;s5;d6;s6;d4;s2s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.620;  4.610,4.615,0.005,0.005,2.0,4.615,0.005
-DYCLHZPOADTVKK_on_P47870_WT,Low,ChEMBL30,CHEMBL71460,Nc1nc(CC(=O)O)cs1,DYCLHZPOADTVKK,DYCLHZPOADTVKK-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,4,6,2,1,3,7,8,10/E:(8,9)/rA:10NCNCCCOOCS/rB:s1;d2;s3;s4;s5;d6;s6;d4;s2s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.610;  4.620,4.615,0.005,0.005,2.0,4.615,0.005
-DYDYWAUIPSJJSN_on_Q05586_WT,Low,ChEMBL30,CHEMBL609857,CS(=O)(=O)Nc1ccc(CCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1,DYDYWAUIPSJJSN,DYDYWAUIPSJJSN-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,16,17,8,26,25,10,7,27,24,11,15,19,9,18,6,22,20,12,23,21,14,5,13,3,4,2/E:(4,5)(8,9)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;w?16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-DYDYWAUIPSJJSN_on_Q13224_WT,Low,ChEMBL30,CHEMBL609857,CS(=O)(=O)Nc1ccc(CCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1,DYDYWAUIPSJJSN,DYDYWAUIPSJJSN-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,16,17,8,26,25,10,7,27,24,11,15,19,9,18,6,22,20,12,23,21,14,5,13,3,4,2/E:(4,5)(8,9)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;w?16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-DYEYKXFSEARFGA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087508;72546271,COC(=O)N1C2CCC1CC(C#Cc1cccc(C)c1)C2,DYEYKXFSEARFGA,DYEYKXFSEARFGA-UHFFFAOYSA-N,"InChI=1S/C18H21NO2/c1-13-4-3-5-14(10-13)6-7-15-11-16-8-9-17(12-15)19(16)18(20)21-2/h3-5,10,15-17H,8-9,11-12H2,1-2H3","""AuxInfo=1/0/N:19,1,16,17,15,13,12,7,8,20,21,10,18,14,11,6,9,3,5,4,2/E:(8,9)(11,12)(16,17)/rA:21COCONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  7.190;  7.188,7.189,0.001,0.001,2.0,7.189,0.001
-DYIGNEBNVYLHGK_on_P41594_WT,Low,ChEMBL30,CHEMBL1783873,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O,DYIGNEBNVYLHGK,DYIGNEBNVYLHGK-UHFFFAOYSA-N,"InChI=1S/C20H16N4O3S/c1-11(2)8-22-13-5-6-21-19-16(13)17-18(28-19)20(25)24(9-23-17)12-3-4-14-15(7-12)27-10-26-14/h3-7,9H,1,8,10H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,19,20,11,10,26,4,16,23,2,18,6,21,25,7,14,13,8,27,9,5,15,17,28,22,24,12/rA:28CCCCNCCCNCCSCCNCNCCCCOCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-DYIGNEBNVYLHGK_on_Q13255_WT,High,ChEMBL30,CHEMBL1783873,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O,DYIGNEBNVYLHGK,DYIGNEBNVYLHGK-UHFFFAOYSA-N,"InChI=1S/C20H16N4O3S/c1-11(2)8-22-13-5-6-21-19-16(13)17-18(28-19)20(25)24(9-23-17)12-3-4-14-15(7-12)27-10-26-14/h3-7,9H,1,8,10H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,19,20,11,10,26,4,16,23,2,18,6,21,25,7,14,13,8,27,9,5,15,17,28,22,24,12/rA:28CCCCNCCCNCCSCCNCNCCCCOCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-DYMLLWBQOOGYRB_on_Q14416_WT,High,ChEMBL30,CHEMBL1669387,CCCn1ccc2c(c(Cl)cc(OCCCc3cnccc3)c2)c1=O,DYMLLWBQOOGYRB,DYMLLWBQOOGYRB-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O2/c1-2-9-23-10-7-16-12-17(13-18(21)19(16)20(23)24)25-11-4-6-15-5-3-8-22-14-15/h3,5,7-8,10,12-14H,2,4,6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,15,22,16,6,20,3,5,14,23,11,18,17,7,12,9,8,24,10,19,4,25,13/rA:25CCCNCCCCCClCCOCCCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s7d12;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-DYOFAMKWNXOMBX_on_Q13224_WT,High,ChEMBL30,CHEMBL3735485,O=[N+]([O-])c1ccc2CCC(NCCc3ccccc3)CCc2c1,DYOFAMKWNXOMBX,DYOFAMKWNXOMBX-UHFFFAOYSA-N,"InChI=1S/C19H22N2O2/c22-21(23)19-11-8-16-6-9-18(10-7-17(16)14-19)20-13-12-15-4-2-1-3-5-15/h1-5,8,11,14,18,20H,6-7,9-10,12-13H2","""AuxInfo=1/0/N:17,16,18,15,19,8,21,6,9,20,5,13,12,23,14,7,22,10,4,11,2,1,3/E:(2,3)(4,5)(22,23)/CRV:21.5/rA:23ON+O-CCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s10;s20;s7s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3737377,PMID:26531150,2015.0,PMID:26531150,2015,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-DYSDYZCGZCYPCT_on_P14867_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-DYSDYZCGZCYPCT_on_P18507_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.610;  6.270;  6.300;  5.810,6.247000000000001,0.28600000000000003,0.165,4.0,6.285,0.17
-DYSDYZCGZCYPCT_on_P28472_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.270;  6.610;  5.810;  6.300,6.247000000000001,0.28600000000000003,0.165,4.0,6.285,0.17
-DYSDYZCGZCYPCT_on_P31644_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-DYSDYZCGZCYPCT_on_P34903_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-DYSDYZCGZCYPCT_on_P47869_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-DYSDYZCGZCYPCT_on_Q16445_WT,Low,ChEMBL30,CHEMBL78766,O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1,DYSDYZCGZCYPCT,DYSDYZCGZCYPCT-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2/c22-21(23)9-5-6-13-11(7-9)15-14(19-13)8-18-16-10-3-1-2-4-12(10)20-17(15)16/h1-8,19-20H","""AuxInfo=1/0/N:21,20,22,19,5,6,12,16,4,17,11,18,7,9,10,14,13,15,8,23,2,1,3/E:(22,23)/CRV:21.5/rA:23ON+O-CCCCNCCCCCCNCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s10;d13;s14;s9d15;s14;d17;s18;d19;s20;s17d21;s13s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DYSMSOZGDSBFGJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,17228330;CHEMBL2408582,Cc1cc(Nc2nc3c(cn2)C(=O)CCC3)ccc1,DYSMSOZGDSBFGJ,DYSMSOZGDSBFGJ-UHFFFAOYSA-N,"InChI=1S/C15H15N3O/c1-10-4-2-5-11(8-10)17-15-16-9-12-13(18-15)6-3-7-14(12)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,18,15,19,17,16,14,3,10,2,4,9,8,12,6,11,5,7,13/rA:19CCCCNCNCCCNCOCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s9;d12;s12;s14;s8s15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.305;  6.300,6.303,0.003,0.003,2.0,6.303,0.002
-DYSMSOZGDSBFGJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL2408582,Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1,DYSMSOZGDSBFGJ,DYSMSOZGDSBFGJ-UHFFFAOYSA-N,"InChI=1S/C15H15N3O/c1-10-4-2-5-11(8-10)17-15-16-9-12-13(18-15)6-3-7-14(12)19/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,4,15,3,5,16,14,19,10,2,6,11,17,12,8,9,7,18,13/rA:19CCCCCCNCNCCCOCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s11s16;s8d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2410484,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-DYTOOFWBTYQIBR_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830702;46836714,c1cnc(Nc2nc3c(CCc4n[nH]cc4-3)s2)nc1,DYTOOFWBTYQIBR,DYTOOFWBTYQIBR-UHFFFAOYSA-N,"InChI=1S/C12H10N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1,4-6H,2-3H2,(H,15,18)(H,13,14,16,17)","""AuxInfo=1/1/N:1,11,10,2,19,15,16,12,9,8,4,6,3,18,14,7,5,13,17/E:(4,5)(13,14)/rA:19CCNCNCNCCCCCNNCCSNC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s8s12d15;s6s9;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  7.190;  7.187,7.189,0.002,0.002,2.0,7.189,0.002
-DYYLIXFEKVRKRW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403691;71713020,O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1ccc(F)cc1)n2,DYYLIXFEKVRKRW,DYYLIXFEKVRKRW-UHFFFAOYSA-N,"InChI=1S/C19H15F3N2OS/c20-14-4-1-12(2-5-14)3-6-17-23-15-7-8-24(11-16(15)26-17)18(25)13-9-19(21,22)10-13/h1-2,4-5,13H,7-11H2","""AuxInfo=1/0/N:20,25,18,21,24,17,11,10,4,8,14,19,3,22,12,13,16,2,5,23,6,7,26,9,1,15/E:(1,2)(4,5)(9,10)(21,22)/rA:26OCCCCFFCNCCCCCSCCCCCCCFCCN/rB:d1;s2;s3;s4;s5;s5;s3s5;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s22;s19d24;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  6.820;  6.824,6.822,0.002,0.002,2.0,6.822,0.002
-DYZFVEGUTIJBOD_on_P41594_WT,Low,ChEMBL30,CHEMBL2338584,O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1ccncc1,DYZFVEGUTIJBOD,DYZFVEGUTIJBOD-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O2/c21-16-4-1-3-15(11-16)19-23-13-20(26-19)8-2-5-17(12-20)24-18(25)14-6-9-22-10-7-14/h1,3-4,6-7,9-11,17H,2,5,8,12-13H2,(H,24,25)","""AuxInfo=1/1/N:17,6,18,16,5,22,26,7,23,25,13,20,9,21,12,14,4,2,11,8,15,24,10,3,1,19/E:(6,7)(9,10)/rA:26OCNCCCCCCNCCCCClCCCOCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;w?10;s11;d12;s13;s14;d14;s16;s12d17;s8s11;s4s8;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZBQIMQORVBIJQ_on_O15399_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_O60391_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBQIMQORVBIJQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL130274,CC12CC3CC(C)(C1)CC(CCN)(C3)C2,DZBQIMQORVBIJQ,DZBQIMQORVBIJQ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)3-4-15/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,7,11,12,3,5,14,8,15,9,4,2,6,10,13/E:(1,2)(5,6)(9,10)(12,13)/rA:15CCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;s11;s12;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-DZBZVBJGXOPZQC_on_P41594_WT,High,ChEMBL30,CHEMBL3600426,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(OC)nc2)nc1,DZBZVBJGXOPZQC,DZBZVBJGXOPZQC-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5O2S/c1-3-4-15(25-18(26)19-21-7-8-28-19)12-9-14(20)17(23-10-12)24-13-5-6-16(27-2)22-11-13/h5-11,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,24,2,3,20,21,10,11,14,28,26,13,19,15,4,22,17,6,8,16,9,25,27,18,5,7,23,12/rA:28CCCCNCOCNCCSCCCClCNCCCCOCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s23;s22;s19d25;s17;s13d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-DZHVJBFLDOOJPZ_on_P41594_WT,High,ChEMBL30,CHEMBL2151637;CHEMBL2151636,O=C(C1CC2CCC1C2)N1CC(c2nc(-c3ccccc3)no2)C1,DZHVJBFLDOOJPZ,DZHVJBFLDOOJPZ-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c23-19(16-9-12-6-7-14(16)8-12)22-10-15(11-22)18-20-17(21-24-18)13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2","""AuxInfo=1/0/N:19,18,20,17,21,6,7,9,4,11,24,5,16,8,12,3,15,13,2,14,22,10,1,23/E:(2,3)(4,5)(10,11)/rA:24OCCCCCCCCNCCCNCCCCCCCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s5s8;s2;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.400;  6.920,6.66,0.26,0.26,2.0,6.66,0.26
-DZPQKPSHACGLKC_on_P14867_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-DZPQKPSHACGLKC_on_P18507_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.240;  7.800;  8.590;  9.130,8.44,0.48700000000000004,0.281,4.0,8.415,0.395
-DZPQKPSHACGLKC_on_P28472_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.130;  7.800;  8.240;  8.590,8.44,0.48700000000000004,0.281,4.0,8.415,0.395
-DZPQKPSHACGLKC_on_P31644_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.130,9.13,0.0,0.0,1.0,9.13,0.0
-DZPQKPSHACGLKC_on_P34903_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-DZPQKPSHACGLKC_on_P47869_WT,Low,ChEMBL30,CHEMBL301063,c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1,DZPQKPSHACGLKC,DZPQKPSHACGLKC-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2","""AuxInfo=1/0/N:21,20,24,1,23,22,19,12,13,2,5,11,4,17,18,10,16,7,3,14,15,8,9,6/E:(8,9)/rA:24CCNCCOCNNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s11s12;d10;s14;s9d15;s16;s7d17;s18;d19;s20;s17d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-DZPYYQRAEYNYEH_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023634;70687778,Cc1cnccc1-c1cn(-c2ccccc2)nc1,DZPYYQRAEYNYEH,DZPYYQRAEYNYEH-UHFFFAOYSA-N,"InChI=1S/C15H13N3/c1-12-9-16-8-7-15(12)13-10-17-18(11-13)14-5-3-2-4-6-14/h2-11H,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,6,5,3,18,9,2,8,11,7,4,17,10/E:(3,4)(5,6)/rA:18CCCNCCCCCNCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  5.290;  5.292,5.291,0.001,0.001,2.0,5.291,0.001
-DZQCNHVTWLSMFE_on_Q05586_WT,Low,ChEMBL30,CHEMBL228435,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,DZQCNHVTWLSMFE,DZQCNHVTWLSMFE-UHFFFAOYSA-N,"InChI=1S/C27H41N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-14,29-30H,5-10,15-22,28H2,(H,31,33)","""AuxInfo=1/1/N:23,32,24,31,3,4,8,9,13,14,22,33,25,30,26,27,2,5,7,10,12,15,21,28,20,29,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  7.140;  6.850,6.995,0.145,0.145,2.0,6.995,0.145
-DZQCNHVTWLSMFE_on_Q12879_WT,Low,ChEMBL30,CHEMBL228435,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,DZQCNHVTWLSMFE,DZQCNHVTWLSMFE-UHFFFAOYSA-N,"InChI=1S/C27H41N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-14,29-30H,5-10,15-22,28H2,(H,31,33)","""AuxInfo=1/1/N:23,32,24,31,3,4,8,9,13,14,22,33,25,30,26,27,2,5,7,10,12,15,21,28,20,29,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-DZQCNHVTWLSMFE_on_Q13224_WT,Low,ChEMBL30,CHEMBL228435,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,DZQCNHVTWLSMFE,DZQCNHVTWLSMFE-UHFFFAOYSA-N,"InChI=1S/C27H41N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-14,29-30H,5-10,15-22,28H2,(H,31,33)","""AuxInfo=1/1/N:23,32,24,31,3,4,8,9,13,14,22,33,25,30,26,27,2,5,7,10,12,15,21,28,20,29,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-DZSHFSKDHKEPOI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922773,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)CCn3cncn3)C1)cc2,DZSHFSKDHKEPOI,DZSHFSKDHKEPOI-UHFFFAOYSA-N,"InChI=1S/C25H37N7O2/c1-24(2,3)14-32-19-8-7-18(28-22(19)30(6)23(32)34)17-9-11-25(4,5)20(13-17)29-21(33)10-12-31-16-26-15-27-31/h7-8,15-17,20H,9-14H2,1-6H3,(H,29,33)","""AuxInfo=1/1/N:8,9,10,19,20,1,33,34,16,25,17,26,32,6,30,28,15,14,11,21,23,12,3,7,18,29,31,13,22,2,27,5,24,4/E:(1,2,3)(4,5)/rA:34CNCONCCCCCCCNCCCCCCCCNCOCCNCNCNCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s18;s18;s21;s22;d23;s23;s25;s26;s27;d28;s29;s27d30;s15s21;s14;s11d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-DZWMTGPUAKIKLC_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647533,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2)c1,DZWMTGPUAKIKLC,DZWMTGPUAKIKLC-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O2S/c1-4-27-13-24-21-19(12-25-26-22(21)27)16-7-10-20(23)18(11-16)15-5-8-17(9-6-15)30(28,29)14(2)3/h5-14H,4H2,1-3H3","""AuxInfo=1/0/N:1,26,27,2,19,29,13,20,28,14,30,10,4,25,18,12,21,17,11,15,6,7,16,5,9,8,3,23,24,22/E:(2,3)(5,6)(8,9)(28,29)/CRV:30.6/rA:30CCNCNCCNNCCCCCCFCCCCCSOOCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s25;s21;s18d28;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-DZXBRRWDKOSUON_on_P41594_WT,Low,ChEMBL30,CHEMBL205705,Clc1ccc(Oc2ccnc(-c3ccccn3)n2)cc1,DZXBRRWDKOSUON,DZXBRRWDKOSUON-UHFFFAOYSA-N,InChI=1S/C15H10ClN3O/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H,"""AuxInfo=1/0/N:14,15,13,3,20,4,19,8,16,9,2,5,12,7,11,1,17,10,18,6/E:(4,5)(6,7)/rA:20ClCCCCOCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P14867_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P18505_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P28472_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P31644_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P34903_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P47869_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P47870_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_P48169_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-DZZIAERGLDKTBT_on_Q16445_WT,Low,ChEMBL30,CHEMBL1258452,CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1,DZZIAERGLDKTBT,DZZIAERGLDKTBT-UHFFFAOYSA-N,"InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,14,15,7,22,4,6,23,21,9,8,13,16,18,11,17,5,12,19,10/E:(7,8)(10,11)/rA:23CCCCNCCCCOCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s16;s18;s19;s13d18;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FAAVTENFCLADRE_on_O15399_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.380;  6.970,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_O60391_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.380;  6.970,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.970;  5.380,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_Q05586_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.380;  6.970,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_Q12879_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.380;  6.970,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_Q13224_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.380;  6.970,6.175,0.795,0.795,2.0,6.175,0.795
-FAAVTENFCLADRE_on_Q14957_WT,Low,ChEMBL30,CHEMBL173031,O=C(O)C1CC(Cc2n[nH]nn2)CCN1,FAAVTENFCLADRE,FAAVTENFCLADRE-UHFFFAOYSA-N,"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:13,14,5,7,6,4,8,2,15,9,12,10,11,1,3/E:(10,11)(12,13)(14,15)/rA:15OCOCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.970;  5.380,6.175,0.795,0.795,2.0,6.175,0.795
-FABYOVQWDMCGIB_on_P14867_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1282590;CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:20646926;PMID:10633039;PMID:9767648,2010;2000;1998,0,0,0,1,0,,=,  4.760;  4.760;  4.760,4.76,0.0,0.0,3.0,4.76,0.0
-FABYOVQWDMCGIB_on_P18507_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1282590;CHEMBL1282592;CHEMBL1282594;CHEMBL824296;CHEMBL822165;CHEMBL823916;CHEMBL1282593;CHEMBL1282591;CHEMBL685338;CHEMBL683047;CHEMBL681480;CHEMBL683045;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:9767648,1998.0,PMID:20646926;PMID:20646926;PMID:20646926;PMID:9767648;PMID:9767648;PMID:9767648;PMID:20646926;PMID:20646926;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,2010;2010;2010;1998;1998;1998;2010;2010;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  4.760;  4.660;  4.530;  4.470;  4.760;  4.660;  5.580;  4.470;  5.580;  4.530;  5.580;  4.530;  4.760;  4.470;  4.660,4.8,0.40299999999999997,0.10800000000000001,15.0,4.66,0.13
-FABYOVQWDMCGIB_on_P28472_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL682251;CHEMBL683047;CHEMBL678329;CHEMBL1282593;CHEMBL1282591;CHEMBL1282590;CHEMBL1282592;CHEMBL1282594;CHEMBL824296;CHEMBL685338;CHEMBL681480;CHEMBL683045;CHEMBL823916;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:20646926;PMID:20646926;PMID:20646926;PMID:20646926;PMID:20646926;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648,2000;2000;1998;2000;2010;2010;2010;2010;2010;1998;1998;2000;2000;1998;1998,0,0,0,1,0,,=,  4.470;  4.660;  4.530;  4.760;  5.580;  4.470;  4.760;  4.660;  4.530;  4.470;  5.580;  5.580;  4.530;  4.660;  4.760,4.8,0.40299999999999997,0.10800000000000001,15.0,4.66,0.13
-FABYOVQWDMCGIB_on_P31644_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480;CHEMBL1282594,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:20646926,1998;2000;2010,0,0,0,1,0,,=,  5.580;  5.580;  4.530,5.23,0.495,0.35,3.0,5.58,0.0
-FABYOVQWDMCGIB_on_P34903_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1282592;CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:20646926;PMID:10633039;PMID:9767648,2010;2000;1998,0,0,0,1,0,,=,  4.660;  4.660;  4.660,4.66,0.0,0.0,3.0,4.66,0.0
-FABYOVQWDMCGIB_on_P47869_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1282591;CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:20646926;PMID:10633039;PMID:9767648,2010;2000;1998,0,0,0,1,0,,=,  4.470;  4.470;  4.470,4.47,0.0,0.0,3.0,4.47,0.0
-FABYOVQWDMCGIB_on_P48169_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1282593,PMID:20646926,2010.0,PMID:20646926,2010,0,0,0,1,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-FABYOVQWDMCGIB_on_Q16445_WT,Low,ChEMBL30,CHEMBL43725,CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FABYOVQWDMCGIB,FABYOVQWDMCGIB-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:1,8,14,13,17,6,19,2,15,11,12,5,4,9,16,20,7,18,3,10/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.530;  4.530,4.53,0.0,0.0,2.0,4.53,0.0
-FAEJWVCMADNLAQ_on_P14867_WT,Low,ChEMBL30,CHEMBL423690,Oc1c2C=NC3CCSCC3c2nn1-c1ccc(OC(F)F)cc1,FAEJWVCMADNLAQ,FAEJWVCMADNLAQ-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,19,9/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCSCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-FAEJWVCMADNLAQ_on_P18507_WT,Low,ChEMBL30,CHEMBL423690,Oc1c2C=NC3CCSCC3c2nn1-c1ccc(OC(F)F)cc1,FAEJWVCMADNLAQ,FAEJWVCMADNLAQ-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,19,9/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCSCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.050;  9.420,9.235,0.185,0.185,2.0,9.235,0.185
-FAEJWVCMADNLAQ_on_P28472_WT,Low,ChEMBL30,CHEMBL423690,Oc1c2C=NC3CCSCC3c2nn1-c1ccc(OC(F)F)cc1,FAEJWVCMADNLAQ,FAEJWVCMADNLAQ-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,19,9/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCSCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.420;  9.050,9.235,0.185,0.185,2.0,9.235,0.185
-FAEJWVCMADNLAQ_on_P34903_WT,Low,ChEMBL30,CHEMBL423690,Oc1c2C=NC3CCSCC3c2nn1-c1ccc(OC(F)F)cc1,FAEJWVCMADNLAQ,FAEJWVCMADNLAQ-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,19,9/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCSCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-FAEWMKGPAQUMLP_on_P14867_WT,Low,ChEMBL30,CHEMBL4071062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(N)=O)cn4)CCC32)C1,FAEWMKGPAQUMLP,FAEWMKGPAQUMLP-UHFFFAOYSA-N,"InChI=1S/C25H37N3O3/c1-24(31)9-7-17-15(11-24)3-4-19-18(17)8-10-25(2)20(19)5-6-21(25)22(29)14-28-13-16(12-27-28)23(26)30/h12-13,15,17-21,31H,3-11,14H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,23,2,14,24,27,20,18,25,3/rA:31CCOCCCCCCCCCCCCCCOCNCCCNOCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;d23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FAEWMKGPAQUMLP_on_P18507_WT,Low,ChEMBL30,CHEMBL4071062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(N)=O)cn4)CCC32)C1,FAEWMKGPAQUMLP,FAEWMKGPAQUMLP-UHFFFAOYSA-N,"InChI=1S/C25H37N3O3/c1-24(31)9-7-17-15(11-24)3-4-19-18(17)8-10-25(2)20(19)5-6-21(25)22(29)14-28-13-16(12-27-28)23(26)30/h12-13,15,17-21,31H,3-11,14H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,23,2,14,24,27,20,18,25,3/rA:31CCOCCCCCCCCCCCCCCOCNCCCNOCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;d23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FAEWMKGPAQUMLP_on_P47870_WT,Low,ChEMBL30,CHEMBL4071062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(N)=O)cn4)CCC32)C1,FAEWMKGPAQUMLP,FAEWMKGPAQUMLP-UHFFFAOYSA-N,"InChI=1S/C25H37N3O3/c1-24(31)9-7-17-15(11-24)3-4-19-18(17)8-10-25(2)20(19)5-6-21(25)22(29)14-28-13-16(12-27-28)23(26)30/h12-13,15,17-21,31H,3-11,14H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,23,2,14,24,27,20,18,25,3/rA:31CCOCCCCCCCCCCCCCCOCNCCCNOCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;d23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FAFUGSGKZKRDLM_on_P41594_WT,High,ChEMBL30,CHEMBL3122205,Cc1noc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)c1,FAFUGSGKZKRDLM,FAFUGSGKZKRDLM-UHFFFAOYSA-N,"InChI=1S/C19H18N6O3/c1-12-9-14(28-24-12)10-21-19(26)17-15-6-7-16(22-18(15)25(2)23-17)27-11-13-5-3-4-8-20-13/h3-9H,10-11H2,1-2H3,(H,21,26)","""AuxInfo=1/1/N:1,13,21,22,20,26,25,23,28,6,18,2,19,5,27,16,10,14,8,24,7,15,11,3,12,9,17,4/rA:28CCNOCCNCOCNNCCNCOCCCCCCNCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;s12;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s25;s10s14d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-FAFUGSGKZKRDLM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3122205,Cc1noc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)c1,FAFUGSGKZKRDLM,FAFUGSGKZKRDLM-UHFFFAOYSA-N,"InChI=1S/C19H18N6O3/c1-12-9-14(28-24-12)10-21-19(26)17-15-6-7-16(22-18(15)25(2)23-17)27-11-13-5-3-4-8-20-13/h3-9H,10-11H2,1-2H3,(H,21,26)","""AuxInfo=1/1/N:1,13,21,22,20,26,25,23,28,6,18,2,19,5,27,16,10,14,8,24,7,15,11,3,12,9,17,4/rA:28CCNOCCNCOCNNCCNCOCCCCCCNCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;s12;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s25;s10s14d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-FAFWETHRMNMOKD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3914940,CC1(C)CCN(c2ncc(C#Cc3ccccc3)cn2)C(=O)C1,FAFWETHRMNMOKD,FAFWETHRMNMOKD-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)10-11-22(17(23)12-19)18-20-13-16(14-21-18)9-8-15-6-4-3-5-7-15/h3-7,13-14H,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,4,5,23,9,19,13,10,21,7,2,8,20,6,22/E:(1,2)(4,5)(6,7)(13,14)(20,21)/rA:23CCCCCNCNCCCCCCCCCCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-FAOIUDVRPDOQRJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485528,CCOc1c(-c2ccc(CN3CC(C)OC3=O)cc2)cccc1,FAOIUDVRPDOQRJ,FAOIUDVRPDOQRJ-UHFFFAOYSA-N,"InChI=1S/C19H21NO3/c1-3-22-18-7-5-4-6-17(18)16-10-8-15(9-11-16)13-20-12-14(2)23-19(20)21/h4-11,14H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,14,2,21,22,20,23,8,18,7,19,12,10,13,9,6,5,4,16,11,17,3,15/E:(8,9)(10,11)/rA:23CCOCCCCCCCNCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s13;s11s15;d16;s9;s6d18;s5;d20;s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-FAQVVLJYPHZSEG_on_Q13255_WT,High,ChEMBL30,CHEMBL3799600,O=C(Nc1ncccc1)C1c2ccccc2Oc2c1cccc2,FAQVVLJYPHZSEG,FAQVVLJYPHZSEG-UHFFFAOYSA-N,"InChI=1S/C19H14N2O2/c22-19(21-17-11-5-6-12-20-17)18-13-7-1-3-9-15(13)23-16-10-4-2-8-14(16)18/h1-12,18H,(H,20,21,22)","""AuxInfo=1/1/N:13,21,14,22,8,7,12,20,15,23,9,6,11,19,16,18,4,10,2,5,3,1,17/E:(1,2)(3,4)(7,8)(9,10)(13,14)(15,16)/rA:23OCNCNCCCCCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;s16;s17;s10d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  5.770;  5.770,5.77,0.0,0.0,2.0,5.77,0.0
-FARPLZFKIHJTKL_on_P41594_WT,High,ChEMBL30,CHEMBL273025,Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2ccccc2)n1,FARPLZFKIHJTKL,FARPLZFKIHJTKL-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-16-14-24-15-18(21(25)23-9-11-26-12-10-23)13-20(24)19(22-16)8-7-17-5-3-2-4-6-17/h2-6,13-15H,9-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,19,18,10,14,11,13,15,3,5,2,20,6,17,16,7,26,9,4,8,12/E:(3,4)(5,6)(9,10)(11,12)/rA:26CCCNCCCONCCOCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s6;s4d15;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-FAUBEMSRYCHMOU_on_P41594_WT,High,ChEMBL30,CHEMBL202845,CCN1C(NC(=O)Nc2cccc(Cl)c2)=NC(=O)C1C,FAUBEMSRYCHMOU,FAUBEMSRYCHMOU-UHFFFAOYSA-N,"InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:1,20,2,11,12,10,15,19,13,9,17,4,6,14,8,16,5,3,18,7/rA:20CCNCNCONCCCCCClCNCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s9d13;w?4;s16;d17;s3s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-FAYBGSLVWIDPPP_on_P41594_WT,High,ChEMBL30,CHEMBL2403659,CN1CCc2c(sc(C#Cc3ccccc3)n2)C1=O,FAYBGSLVWIDPPP,FAYBGSLVWIDPPP-UHFFFAOYSA-N,"InChI=1S/C15H12N2OS/c1-17-10-9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,10,9,4,3,11,5,8,6,18,17,2,19,7/E:(3,4)(5,6)/rA:19CNCCCCSCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;CHEMBL2426830,PMID:23770058,2013.0,PMID:23770058;PMID:23947773,2013,0,1,0,0,0,,=,  8.620;  6.710,7.665,0.955,0.955,2.0,7.665,0.955
-FAZOGWIEGACWAA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,3773077;CHEMBL2408571,COc1ccc(Nc2nc3c(cn2)C(=O)CC(C)C3)cc1,FAZOGWIEGACWAA,FAZOGWIEGACWAA-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-10-7-14-13(15(20)8-10)9-17-16(19-14)18-11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:18,1,5,20,4,21,19,16,12,17,6,3,11,10,14,8,13,7,9,15,2/E:(3,4)(5,6)/rA:21COCCCCNCNCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s11;d14;s14;s16;s17;s10s17;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.223;  6.220,6.221,0.002,0.002,2.0,6.221,0.002
-FAZVQXJWCLJVNP_on_Q14833_WT,High,ChEMBL30,CHEMBL3808424,Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1,FAZVQXJWCLJVNP,FAZVQXJWCLJVNP-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3S/c1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16/h2-12H,1H3,(H,19,21)","""AuxInfo=1/1/N:1,18,19,17,3,24,4,23,11,20,10,22,2,12,5,16,14,21,13,9,15,7,8,6/E:(5,6)(7,8)(22,23)/CRV:24.6/rA:24CCCCCSOONCCCNCOCCCCCNCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s9d12;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.910;  6.910,6.91,0.0,0.0,2.0,6.91,0.0
-FBBGZDOIPFFHLI_on_P14867_WT,Low,ChEMBL30,CHEMBL113698,O=C(Cc1cnccc1)N1CCC2N=Cc3c(O)n(-c4ccc(Cl)cc4)nc3C2C1,FBBGZDOIPFFHLI,FBBGZDOIPFFHLI-UHFFFAOYSA-N,"InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,30H,7,9-10,13H2","""AuxInfo=1/0/N:8,9,22,25,21,26,12,7,11,3,5,15,30,4,23,20,16,29,13,2,28,17,24,6,14,27,10,19,1,18/E:(3,4)(5,6)/rA:30OCCCCNCCCNCCCNCCCONCCCCClCCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;w?14;s15;d16;s17;s17;s19;d20;s21;d22;s23;s23;s20d25;s19;s16d27;s13s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.500,8.5,0.0,0.0,1.0,8.5,0.0
-FBBGZDOIPFFHLI_on_P18507_WT,Low,ChEMBL30,CHEMBL113698,O=C(Cc1cnccc1)N1CCC2N=Cc3c(O)n(-c4ccc(Cl)cc4)nc3C2C1,FBBGZDOIPFFHLI,FBBGZDOIPFFHLI-UHFFFAOYSA-N,"InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,30H,7,9-10,13H2","""AuxInfo=1/0/N:8,9,22,25,21,26,12,7,11,3,5,15,30,4,23,20,16,29,13,2,28,17,24,6,14,27,10,19,1,18/E:(3,4)(5,6)/rA:30OCCCCNCCCNCCCNCCCONCCCCClCCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;w?14;s15;d16;s17;s17;s19;d20;s21;d22;s23;s23;s20d25;s19;s16d27;s13s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.500;  8.270,8.385,0.115,0.115,2.0,8.385,0.115
-FBBGZDOIPFFHLI_on_P28472_WT,Low,ChEMBL30,CHEMBL113698,O=C(Cc1cnccc1)N1CCC2N=Cc3c(O)n(-c4ccc(Cl)cc4)nc3C2C1,FBBGZDOIPFFHLI,FBBGZDOIPFFHLI-UHFFFAOYSA-N,"InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,30H,7,9-10,13H2","""AuxInfo=1/0/N:8,9,22,25,21,26,12,7,11,3,5,15,30,4,23,20,16,29,13,2,28,17,24,6,14,27,10,19,1,18/E:(3,4)(5,6)/rA:30OCCCCNCCCNCCCNCCCONCCCCClCCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;w?14;s15;d16;s17;s17;s19;d20;s21;d22;s23;s23;s20d25;s19;s16d27;s13s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.500;  8.270,8.385,0.115,0.115,2.0,8.385,0.115
-FBBGZDOIPFFHLI_on_P34903_WT,Low,ChEMBL30,CHEMBL113698,O=C(Cc1cnccc1)N1CCC2N=Cc3c(O)n(-c4ccc(Cl)cc4)nc3C2C1,FBBGZDOIPFFHLI,FBBGZDOIPFFHLI-UHFFFAOYSA-N,"InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,30H,7,9-10,13H2","""AuxInfo=1/0/N:8,9,22,25,21,26,12,7,11,3,5,15,30,4,23,20,16,29,13,2,28,17,24,6,14,27,10,19,1,18/E:(3,4)(5,6)/rA:30OCCCCNCCCNCCCNCCCONCCCCClCCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;w?14;s15;d16;s17;s17;s19;d20;s21;d22;s23;s23;s20d25;s19;s16d27;s13s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-FBBHBWKXALNSTR_on_P41594_WT,Low,ChEMBL30,CHEMBL464550,Cc1nc(NC(=O)c2ccc(F)c(F)c2)ccc1,FBBHBWKXALNSTR,FBBHBWKXALNSTR-UHFFFAOYSA-N,"InChI=1S/C13H10F2N2O/c1-8-3-2-4-12(16-8)17-13(18)9-5-6-10(14)11(15)7-9/h2-7H,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,17,18,16,9,10,15,2,8,11,13,4,6,12,14,3,5,7/rA:18CCNCNCOCCCCFCFCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s13;s8d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FBDZCNSGGOSWRL_on_Q13255_WT,High,ChEMBL30,CHEMBL3785247,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c(cccc4)CC3=O)cc2)occ1,FBDZCNSGGOSWRL,FBDZCNSGGOSWRL-UHFFFAOYSA-N,"InChI=1S/C22H17ClN2O4/c1-13-8-9-29-21(13)22(28)24-16-6-7-18(17(23)12-16)25-19(26)10-14-4-2-3-5-15(14)11-20(25)27/h2-9,12H,10-11H2,1H3,(H,24,28)","""AuxInfo=1/1/N:1,19,20,18,21,26,25,29,28,22,15,8,2,17,16,7,9,11,23,13,3,4,10,6,12,24,14,5,27/E:(2,3)(4,5)(10,11)(14,15)(19,20)(26,27)/rA:29CCCCONCCCClCNCOCCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;d16;s17;d18;s19;s16d20;s17;s12s22;d23;s11;s7d25;s3;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.460;  5.440,5.45,0.01,0.01,2.0,5.45,0.01
-FBHBQXCVANUCNW_on_O00591_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_O14764_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P14867_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P18505_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P18507_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P28472_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P31644_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P34903_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P47869_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P47870_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P48169_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_P78334_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBHBQXCVANUCNW_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322873,Nc1ccc(C(=O)O)c(-c2ccccc2)n1,FBHBQXCVANUCNW,FBHBQXCVANUCNW-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-10-7-6-9(12(15)16)11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,4,3,10,5,2,9,6,1,16,7,8/E:(2,3)(4,5)(15,16)/rA:16NCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;d10;s11;d12;s13;s10d14;s2d9;/rC:;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FBJRSEUHYYZDGG_on_P41594_WT,Low,ChEMBL30,CHEMBL3964722,Cc1cnc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1,FBJRSEUHYYZDGG,FBJRSEUHYYZDGG-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O2/c1-13-9-22-18(10-21-13)19(26)24-5-6-25-16(11-24)8-15(23-25)12-27-17-4-2-3-14(20)7-17/h2-4,7-10H,5-6,11-12H2,1H3","""AuxInfo=1/0/N:1,18,19,17,9,10,22,23,3,26,25,14,2,20,13,24,16,5,6,21,27,4,12,8,11,7,15/rA:27CCCNCCONCCNNCCOCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s13;s11d23;s8s24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-FBKFFOOSODQYPO_on_O00591_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_O14764_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P14867_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P18505_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P18507_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P28472_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P31644_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P34903_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P47869_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P47870_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P48169_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_P78334_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBKFFOOSODQYPO_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322875,Cc1c(C(=O)O)cnc(N)c1,FBKFFOOSODQYPO,FBKFFOOSODQYPO-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,7,2,3,9,4,10,8,5,6/E:(10,11)/rA:11CCCCOOCNCNC/rB:s1;d2;s3;d4;s4;s3;d7;s8;s9;s2d9;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-FBOPVIWMYMFESR_on_O15399_WT,Low,ChEMBL30,CHEMBL268920;CHEMBL273686,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.010;  7.510,7.76,0.25,0.25,2.0,7.76,0.25
-FBOPVIWMYMFESR_on_O60391_WT,Low,ChEMBL30,CHEMBL273686;CHEMBL268920,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.510;  8.010,7.76,0.25,0.25,2.0,7.76,0.25
-FBOPVIWMYMFESR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL273686;CHEMBL268920,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.510;  8.010,7.76,0.25,0.25,2.0,7.76,0.25
-FBOPVIWMYMFESR_on_Q05586_WT,Low,ChEMBL30,CHEMBL268920;CHEMBL268920;CHEMBL273686;CHEMBL273686;CHEMBL268920;CHEMBL273686,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL750561;CHEMBL746993;CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.010;  7.750;  6.240;  7.510;  6.050;  7.300,7.143,0.74,0.331,6.0,7.405,0.475
-FBOPVIWMYMFESR_on_Q12879_WT,Low,ChEMBL30,CHEMBL268920;CHEMBL273686;CHEMBL273686;CHEMBL268920,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL750561;CHEMBL872738;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.750;  7.300;  7.510;  8.010,7.643,0.265,0.153,4.0,7.63,0.225
-FBOPVIWMYMFESR_on_Q13224_WT,Low,ChEMBL30,CHEMBL268920;CHEMBL268920;CHEMBL273686;CHEMBL273686,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993;CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.010;  6.050;  7.510;  6.240,6.952000000000001,0.8290000000000001,0.479,4.0,6.875,0.73
-FBOPVIWMYMFESR_on_Q14957_WT,Low,ChEMBL30,CHEMBL273686;CHEMBL268920,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1,FBOPVIWMYMFESR,FBOPVIWMYMFESR-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,24,23,25,7,22,26,6,8,2,21,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(3,4)(6,7)(23,24,25)/rA:26CCNCCCCCCNCOCONCPOOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.510;  8.010,7.76,0.25,0.25,2.0,7.76,0.25
-FBQINNYVGPCZPI_on_P41594_WT,Low,ChEMBL30,CHEMBL2164555,Clc1ccc(-c2nc(-c3ncccc3)no2)cc1,FBQINNYVGPCZPI,FBQINNYVGPCZPI-UHFFFAOYSA-N,InChI=1S/C13H8ClN3O/c14-10-6-4-9(5-7-10)13-16-12(17-18-13)11-3-1-2-8-15-11/h1-8H,"""AuxInfo=1/0/N:13,12,14,4,17,3,18,11,5,2,9,8,6,1,10,7,15,16/E:(4,5)(6,7)/rA:18ClCCCCCNCCNCCCCNOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s6s15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FBRYAVAHAIEOJM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106729,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CC(C(F)(F)F)OCC2(C)C)c3)cn1,FBRYAVAHAIEOJM,FBRYAVAHAIEOJM-UHFFFAOYSA-N,"InChI=1S/C22H24F3N5O2/c1-21(2)12-32-19(22(23,24)25)11-30(21)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13/h4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31)","""AuxInfo=1/1/N:28,29,1,15,14,30,6,31,17,3,19,26,16,4,13,5,12,7,20,8,27,21,22,23,24,9,32,11,2,18,10,25/E:(1,2)(23,24,25)/rA:32CNCCCCCCNONCCCCCCNCCCFFFOCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s21;s21;s20;s25;s18s26;s27;s27;s12d16;s4;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FBVKGXIAMJWSEZ_on_P41594_WT,High,ChEMBL30,CHEMBL3746731,O=C1c2cc(COc3ccccc3)nn2CCN1c1cc(F)ccc1,FBVKGXIAMJWSEZ,FBVKGXIAMJWSEZ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-5-4-6-16(11-14)22-9-10-23-18(19(22)24)12-15(21-23)13-25-17-7-2-1-3-8-17/h1-8,11-12H,9-10,13H2","""AuxInfo=1/0/N:11,10,12,24,23,25,9,13,17,16,20,4,6,21,5,19,8,3,2,22,14,18,15,1,7/E:(2,3)(7,8)/rA:25OCCCCCOCCCCCCNNCCNCCCFCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.890;  6.900,6.895,0.005,0.005,2.0,6.895,0.005
-FBYDXVCYZBKMBT_on_P41594_WT,Medium,ChEMBL30,CHEMBL184822,Clc1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1,FBYDXVCYZBKMBT,FBYDXVCYZBKMBT-UHFFFAOYSA-N,InChI=1S/C18H12ClN5/c19-15-7-3-5-13(11-15)14-6-4-8-16(12-14)24-22-18(21-23-24)17-9-1-2-10-20-17/h1-12H,"""AuxInfo=1/0/N:20,19,4,9,5,8,3,10,21,18,24,23,6,7,2,11,16,15,1,17,14,22,13,12/rA:24ClCCCCCCCCCCNNNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-FCBQJNCAKZSIAH_on_O15399_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-FCBQJNCAKZSIAH_on_O60391_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427;CHEMBL857544,PMID:14552795,2003.0,PMID:15225705;PMID:14552795,2004;2003,1,0,0,0,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-FCBQJNCAKZSIAH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-FCBQJNCAKZSIAH_on_Q05586_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427;CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:15225705;PMID:15225705;PMID:14552795;PMID:14552795,2004;2004;2003;2003,1,0,0,0,0,,=,  8.100;  8.400;  8.100;  8.400,8.25,0.15,0.087,4.0,8.25,0.15
-FCBQJNCAKZSIAH_on_Q12879_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-FCBQJNCAKZSIAH_on_Q13224_WT,High,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3804511,PMID:14552795,2003.0,PMID:27061977,2016,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-FCBQJNCAKZSIAH_on_Q14957_WT,Low,ChEMBL30,CHEMBL219631,[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2,FCBQJNCAKZSIAH,FCBQJNCAKZSIAH-UHFFFAOYSA-N,"InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)","""AuxInfo=1/1/N:11,16,12,15,24,23,7,17,6,18,4,3,9,20,10,8,13,19,22,21,26,14,25,5,27,1,28,2/E:(1,2)(3,4)(7,8)(9,10)/rA:28O-S+CCNCCCCCCCCFCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;s19d23;s22;d25;s26;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427;CHEMBL857544,PMID:14552795,2003.0,PMID:15225705;PMID:14552795,2004;2003,1,0,0,0,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-FCCXJYITQHDTHC_on_P41594_WT,High,ChEMBL30,CHEMBL3702444,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1,FCCXJYITQHDTHC,FCCXJYITQHDTHC-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-29-9-6-15-13-26(14-25-15)20-11-19-17-3-2-4-18(22-23-7-10-30-22)16(17)5-8-27(19)21(28)12-24-20/h2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3","""AuxInfo=1/0/N:1,19,18,20,15,4,24,14,3,25,28,10,6,29,5,16,17,21,27,8,11,22,23,9,30,7,13,12,2,26/rA:30COCCCCNCNCCONCCCCCCCCCNCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-FCCXJYITQHDTHC_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702444,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1,FCCXJYITQHDTHC,FCCXJYITQHDTHC-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-29-9-6-15-13-26(14-25-15)20-11-19-17-3-2-4-18(22-23-7-10-30-22)16(17)5-8-27(19)21(28)12-24-20/h2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3","""AuxInfo=1/0/N:1,19,18,20,15,4,24,14,3,25,28,10,6,29,5,16,17,21,27,8,11,22,23,9,30,7,13,12,2,26/rA:30COCCCCNCNCCONCCCCCCCCCNCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-FCENUTVRDWWAEL_on_P41594_WT,High,ChEMBL30,CHEMBL3702363,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)n1,FCENUTVRDWWAEL,FCENUTVRDWWAEL-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-25-18-7-3-5-13-14(18)9-10-23-17(13)11-16(21-12-20(23)24)15-6-4-8-19(22-15)26-2/h3-8,11H,9-10,12H2,1-2H3","""AuxInfo=1/0/N:23,1,19,5,18,6,20,4,15,14,25,10,17,16,7,8,24,21,3,11,9,26,13,12,22,2/rA:26COCCCCCCNCCONCCCCCCCCOCCCN/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s13s17;s8w?24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-FCENUTVRDWWAEL_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702363,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)n1,FCENUTVRDWWAEL,FCENUTVRDWWAEL-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-25-18-7-3-5-13-14(18)9-10-23-17(13)11-16(21-12-20(23)24)15-6-4-8-19(22-15)26-2/h3-8,11H,9-10,12H2,1-2H3","""AuxInfo=1/0/N:23,1,19,5,18,6,20,4,15,14,25,10,17,16,7,8,24,21,3,11,9,26,13,12,22,2/rA:26COCCCCCCNCCONCCCCCCCCOCCCN/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s13s17;s8w?24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FCFPORGMKPYNKM_on_Q14416_WT,High,ChEMBL30,CHEMBL3764820,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cccc(C#N)c1)cc2,FCFPORGMKPYNKM,FCFPORGMKPYNKM-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-19(2,3)12-23-16-9-8-15(21-17(16)22(4)18(23)24)14-7-5-6-13(10-14)11-20/h5-10H,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,17,18,16,23,24,22,20,6,19,15,14,11,12,3,7,21,13,2,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCCCCCCCNCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s19;t20;s15d19;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FCFSGHKXMYMUSV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3933004,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC4(CC2)CC4)c3)cn1,FCFSGHKXMYMUSV,FCFSGHKXMYMUSV-UHFFFAOYSA-N,"InChI=1S/C22H25N5O/c1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(2-3-17(18)19)13-27-8-6-22(4-5-22)7-9-27/h2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,14,24,25,20,22,19,23,26,6,27,17,3,16,4,13,5,12,7,8,21,9,28,11,2,18,10/E:(4,5)(6,7)(8,9)/rA:28CNCCCCCCNONCCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s18s22;s21;s21s24;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-FCGGFIQFAJSREN_on_P41594_WT,High,ChEMBL30,CHEMBL2440624,O=C(Nc1nc(F)ccc1)c1cc(Cl)cc(Oc2cncnc2)c1,FCGGFIQFAJSREN,FCGGFIQFAJSREN-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN4O2/c17-11-4-10(16(23)22-15-3-1-2-14(18)21-15)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,22,23)","""AuxInfo=1/1/N:9,8,10,12,24,15,19,23,21,11,13,16,18,6,4,2,14,7,20,22,5,3,1,17/E:(7,8)(19,20)/rA:24OCNCNCFCCCCCCClCCOCCNCNCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FCJWDXAXERKUEZ_on_P41594_WT,High,ChEMBL30,CHEMBL208976,O=C(Nc1cccc(Cl)n1)c1cc(Cl)ccc1,FCJWDXAXERKUEZ,FCJWDXAXERKUEZ-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2N2O/c13-9-4-1-3-8(7-9)12(17)16-11-6-2-5-10(14)15-11/h1-7H,(H,15,16,17)","""AuxInfo=1/1/N:16,6,17,15,7,5,12,11,13,8,4,2,14,9,10,3,1/rA:17OCNCCCCCClNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s4d8;s2;d11;s12;s13;d13;s15;s11d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-FCLNNBMKTSXRSB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL520677,COc1c(-c2ccc(CN3CC(C)OC3=O)cc2)cccc1,FCLNNBMKTSXRSB,FCLNNBMKTSXRSB-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)21-2/h3-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:13,1,20,21,19,22,7,17,6,18,11,9,12,8,5,4,3,15,10,16,2,14/E:(7,8)(9,10)/rA:22COCCCCCCCNCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s12;s10s14;d15;s8;s5d17;s4;d19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-FCNGIALSHBEDQZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171702,Cc1cccc(NC(=O)c2c(Nc3cccnc3)sc(C)n2)n1,FCNGIALSHBEDQZ,FCNGIALSHBEDQZ-UHFFFAOYSA-N,"InChI=1S/C16H15N5OS/c1-10-5-3-7-13(18-10)21-15(22)14-16(23-11(2)19-14)20-12-6-4-8-17-9-12/h3-9,20H,1-2H3,(H,18,21,22)","""AuxInfo=1/1/N:1,21,4,15,3,14,5,16,18,2,20,13,6,10,8,11,17,23,22,12,7,9,19/rA:23CCCCCCNCOCCNCCCCNCSCCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s20;s10d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-FCNWSODNGJCTNE_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594109,CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2I.c1ccncc1,FCNWSODNGJCTNE,FCNWSODNGJCTNE-UHFFFAOYSA-N,"""InChI=1S/C19H31IO4S.C5H5N/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;1-2-4-6-5-3-1/h12-17H,3-11H2,1-2H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:20,1,8,7,22,23,17,4,18,3,10,9,11,6,21,5,24,19,2,25,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCICCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s5s9s18;s19;s2s6;s21;s22;s2s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-FCNWSODNGJCTNE_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594109,CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2I.c1ccncc1,FCNWSODNGJCTNE,FCNWSODNGJCTNE-UHFFFAOYSA-N,"""InChI=1S/C19H31IO4S.C5H5N/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;1-2-4-6-5-3-1/h12-17H,3-11H2,1-2H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:20,1,8,7,22,23,17,4,18,3,10,9,11,6,21,5,24,19,2,25,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCICCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s5s9s18;s19;s2s6;s21;s22;s2s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-FCPBSQHWJREWJR_on_P41594_WT,High,ChEMBL30,CHEMBL3920005,CC(C)(C)c1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1,FCPBSQHWJREWJR,FCPBSQHWJREWJR-UHFFFAOYSA-N,"InChI=1S/C23H20N4/c1-23(2,3)21-19-18(15-10-6-4-7-11-15)17(14-24)20(25-22(19)27-26-21)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,25,26,27)","""AuxInfo=1/1/N:1,3,4,11,21,10,12,20,22,9,13,19,23,15,8,18,14,7,6,17,5,25,2,16,24,27,26/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:27CCCCCCCCCCCCCCCNCCCCCCCNCNN/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;t15;s14;s17;d18;s19;d20;s21;s18d22;d17;s6s24;d25;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-FCSAXAFSJHHBEE_on_Q05586_WT,Low,ChEMBL30,CHEMBL63474,N#Cc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,FCSAXAFSJHHBEE,FCSAXAFSJHHBEE-UHFFFAOYSA-N,"InChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,21,18,22,13,24,8,14,23,7,4,11,2,12,3,17,15,6,5,10,1,9,25,16/E:(2,3)(4,5)(6,7)(9,10)/rA:25NCCCCCCCNCCCCCCOCCCCCCCCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-FCSAXAFSJHHBEE_on_Q13224_WT,Low,ChEMBL30,CHEMBL63474,N#Cc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,FCSAXAFSJHHBEE,FCSAXAFSJHHBEE-UHFFFAOYSA-N,"InChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)","""AuxInfo=1/1/N:20,19,21,18,22,13,24,8,14,23,7,4,11,2,12,3,17,15,6,5,10,1,9,25,16/E:(2,3)(4,5)(6,7)(9,10)/rA:25NCCCCCCCNCCCCCCOCCCCCCCCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-FCSMWBVLHQSWGU_on_P18507_WT,Low,ChEMBL30,CHEMBL565293,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(F)c3)-n2cn1,FCSMWBVLHQSWGU,FCSMWBVLHQSWGU-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-FCSMWBVLHQSWGU_on_P28472_WT,Low,ChEMBL30,CHEMBL565293,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(F)c3)-n2cn1,FCSMWBVLHQSWGU,FCSMWBVLHQSWGU-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-FCSMWBVLHQSWGU_on_P31644_WT,Low,ChEMBL30,CHEMBL565293,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(F)c3)-n2cn1,FCSMWBVLHQSWGU,FCSMWBVLHQSWGU-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-FCTBXASGWAKIAB_on_P41594_WT,High,ChEMBL30,CHEMBL3702433,C=Cc1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1,FCTBXASGWAKIAB,FCTBXASGWAKIAB-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-3-14-5-4-6-17-16(14)7-8-24-18(17)9-19(21-10-20(24)25)23-11-15(12-26-2)22-13-23/h3-6,9,11,13H,1,7-8,10,12H2,2H3","""AuxInfo=1/0/N:1,19,2,25,26,24,5,6,21,10,20,17,14,3,16,4,23,22,12,8,11,15,13,7,9,18/rA:26CCCCCCNCOCNCNCNCCOCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;s13;d14;s15;s16;s17;s18;s13d16;s12;s7w?21;s4s22;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-FCTBXASGWAKIAB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702433,C=Cc1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1,FCTBXASGWAKIAB,FCTBXASGWAKIAB-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-3-14-5-4-6-17-16(14)7-8-24-18(17)9-19(21-10-20(24)25)23-11-15(12-26-2)22-13-23/h3-6,9,11,13H,1,7-8,10,12H2,2H3","""AuxInfo=1/0/N:1,19,2,25,26,24,5,6,21,10,20,17,14,3,16,4,23,22,12,8,11,15,13,7,9,18/rA:26CCCCCCNCOCNCNCNCCOCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;s13;d14;s15;s16;s17;s18;s13d16;s12;s7w?21;s4s22;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-FCUQVHFTVGETGH_on_P41594_WT,High,ChEMBL30,CHEMBL3736168,CN(C)c1ccc(-c2noc(C3CCc4c(C3)nnn4C(C)(C)C)n2)cc1,FCUQVHFTVGETGH,FCUQVHFTVGETGH-UHFFFAOYSA-N,"InChI=1S/C20H26N6O/c1-20(2,3)26-17-11-8-14(12-16(17)22-24-26)19-21-18(23-27-19)13-6-9-15(10-7-13)25(4)5/h6-7,9-10,14H,8,11-12H2,1-5H3","""AuxInfo=1/0/N:22,23,24,1,3,6,26,13,5,27,14,17,7,12,4,16,15,8,11,21,25,18,9,19,2,20,10/E:(1,2,3)(4,5)(6,7)(9,10)/rA:27CNCCCCCCNOCCCCCCCNNNCCCCNCC/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;d15;s12s16;s16;d18;s15s19;s20;s21;s21;s21;s8d11;s7;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FDDDDANKPKHJDW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952222,CC1(c2ccccc2)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,FDDDDANKPKHJDW,FDDDDANKPKHJDW-UHFFFAOYSA-N,"InChI=1S/C28H22FN3O3/c1-28(19-5-3-2-4-6-19)15-25(33)32(27(28)35)16-17-7-12-21-22(18-8-10-20(29)11-9-18)14-24(26(30)34)31-23(21)13-17/h2-14H,15-16H2,1H3,(H2,30,34)","""AuxInfo=1/1/N:1,6,5,7,4,8,15,20,25,21,24,16,33,26,9,13,14,19,3,22,17,18,32,27,10,28,34,2,23,29,31,12,11,30,35/E:(3,4)(5,6)(8,9)(10,11)/rA:35CCCCCCCCCCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s10;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s22;s19d24;d18;s26;s27;s28;d28;d27;s17s31;s14d32;s2s12;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-FDEOGFDSMRBYGC_on_O15399_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_O60391_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_Q05586_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_Q12879_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_Q13224_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDEOGFDSMRBYGC_on_Q14957_WT,Low,ChEMBL30,CHEMBL557092,NCCCC(=O)NCC(=O)O,FDEOGFDSMRBYGC,FDEOGFDSMRBYGC-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c7-3-1-2-5(9)8-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,4,2,8,5,9,1,7,6,10,11/E:(10,11)/rA:11NCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-FDERZHYNJLKECH_on_P14867_WT,Low,ChEMBL30,CHEMBL2420447,On1cc(C2CCNCC2)c(-c2c[nH]cn2)n1,FDERZHYNJLKECH,FDERZHYNJLKECH-UHFFFAOYSA-N,"InChI=1S/C11H15N5O/c17-16-6-9(8-1-3-12-4-2-8)11(15-16)10-5-13-7-14-10/h5-8,12,17H,1-4H2,(H,13,14)","""AuxInfo=1/1/N:6,10,7,9,13,3,15,5,4,12,11,8,14,16,17,2,1/E:(1,2)(3,4)/rA:17ONCCCCCNCCCCCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  4.520;  4.500,4.51,0.01,0.01,2.0,4.51,0.01
-FDERZHYNJLKECH_on_P18507_WT,Low,ChEMBL30,CHEMBL2420447,On1cc(C2CCNCC2)c(-c2c[nH]cn2)n1,FDERZHYNJLKECH,FDERZHYNJLKECH-UHFFFAOYSA-N,"InChI=1S/C11H15N5O/c17-16-6-9(8-1-3-12-4-2-8)11(15-16)10-5-13-7-14-10/h5-8,12,17H,1-4H2,(H,13,14)","""AuxInfo=1/1/N:6,10,7,9,13,3,15,5,4,12,11,8,14,16,17,2,1/E:(1,2)(3,4)/rA:17ONCCCCCNCCCCCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  4.520;  4.500,4.51,0.01,0.01,2.0,4.51,0.01
-FDERZHYNJLKECH_on_P47870_WT,Low,ChEMBL30,CHEMBL2420447,On1cc(C2CCNCC2)c(-c2c[nH]cn2)n1,FDERZHYNJLKECH,FDERZHYNJLKECH-UHFFFAOYSA-N,"InChI=1S/C11H15N5O/c17-16-6-9(8-1-3-12-4-2-8)11(15-16)10-5-13-7-14-10/h5-8,12,17H,1-4H2,(H,13,14)","""AuxInfo=1/1/N:6,10,7,9,13,3,15,5,4,12,11,8,14,16,17,2,1/E:(1,2)(3,4)/rA:17ONCCCCCNCCCCCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  4.500;  4.520,4.51,0.01,0.01,2.0,4.51,0.01
-FDHXJEBTZNNZLV_on_Q14416_WT,High,ChEMBL30,CHEMBL3805005,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCN(C(=O)c3nocc3)CC1)cc2,FDHXJEBTZNNZLV,FDHXJEBTZNNZLV-UHFFFAOYSA-N,"InChI=1S/C21H27N5O3/c1-21(2,3)13-26-17-6-5-15(22-18(17)24(4)20(26)28)14-7-10-25(11-8-14)19(27)16-9-12-29-23-16/h5-6,9,12,14H,7-8,10-11,13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,28,29,16,27,25,17,26,24,6,15,14,21,11,12,19,3,7,13,22,2,18,5,20,4,23/E:(1,2,3)(7,8)(10,11)/rA:29CNCONCCCCCCCNCCCCNCOCNOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s19;d21;s22;s23;s21d24;s18;s15s26;s14;s11d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-FDIFXWBNXTYNJI_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771687,O=C(c1ccc(F)c(F)c1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,FDIFXWBNXTYNJI,FDIFXWBNXTYNJI-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O2/c21-14-5-3-4-12(10-14)18-24-19(28-25-18)17-6-1-2-9-26(17)20(27)13-7-8-15(22)16(23)11-13/h3-5,7-8,10-11,17H,1-2,6,9H2","""AuxInfo=1/0/N:14,13,22,21,23,15,4,5,12,26,10,20,3,24,6,8,16,19,17,2,25,7,9,18,27,11,1,28/rA:28OCCCCCFCFCNCCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;s14;s11s15;s16;d17;s18;s19;d20;s21;d22;s23;s24;s20d24;d19;s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-FDIVPHCBJYDOLP_on_P41594_WT,Low,ChEMBL30,CHEMBL225126,CCc1ccc(-n2cnc3c(sc4c3c(N3CCC3)ccn4)c2=O)cc1,FDIVPHCBJYDOLP,FDIVPHCBJYDOLP-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-2-13-4-6-14(7-5-13)24-12-22-17-16-15(23-10-3-11-23)8-9-21-19(16)26-18(17)20(24)25/h4-9,12H,2-3,10-11H2,1H3","""AuxInfo=1/0/N:1,2,18,4,26,5,25,20,21,17,19,8,3,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(4,5)(6,7)(10,11)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s16s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FDIVPHCBJYDOLP_on_Q13255_WT,High,ChEMBL30,CHEMBL225126,CCc1ccc(-n2cnc3c(sc4c3c(N3CCC3)ccn4)c2=O)cc1,FDIVPHCBJYDOLP,FDIVPHCBJYDOLP-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-2-13-4-6-14(7-5-13)24-12-22-17-16-15(23-10-3-11-23)8-9-21-19(16)26-18(17)20(24)25/h4-9,12H,2-3,10-11H2,1H3","""AuxInfo=1/0/N:1,2,18,4,26,5,25,20,21,17,19,8,3,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(4,5)(6,7)(10,11)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s16s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-FDKGCYFABDMHAW_on_Q14416_WT,High,ChEMBL30,CHEMBL187151,CCCc1c(OC(C)CCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,FDKGCYFABDMHAW,FDKGCYFABDMHAW-UHFFFAOYSA-N,"InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)31-15(2)7-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,8,28,2,10,3,9,15,22,14,23,25,24,11,7,27,16,13,26,4,5,30,17,18,21,19,20,29,31,12,6/E:(8,9)(10,11)(24,25)(26,27)/rA:31CCCCCOCCCCCOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-FDNUYVCKLCHQCY_on_P41594_WT,High,ChEMBL30,CHEMBL3949965,O=C1NC(c2cncc(C#CC3CCC3)c2)C(c2cccc(F)c2)O1,FDNUYVCKLCHQCY,FDNUYVCKLCHQCY-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O2/c21-17-6-2-5-15(10-17)19-18(23-20(24)25-19)16-9-14(11-22-12-16)8-7-13-3-1-4-13/h2,5-6,9-13,18-19H,1,3-4H2,(H,23,24)","""AuxInfo=1/1/N:14,20,13,15,19,21,11,10,16,24,8,6,12,9,18,5,22,4,17,2,23,7,3,1,25/E:(3,4)/rA:25OCNCCCNCCCCCCCCCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s12s14;s5d9;s4;s17;d18;s19;d20;s21;s22;s18d22;s2s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  8.100;  7.820,7.96,0.14,0.14,2.0,7.96,0.14
-FDPZXSSSWMDIMG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3898713;CHEMBL3964076;CHEMBL4108720;CHEMBL3898713,COC1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C,FDPZXSSSWMDIMG,FDPZXSSSWMDIMG-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c1-19(2)13-22(17(23)16(19)24-3)18-20-11-15(12-21-18)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,16,15,17,14,18,12,11,9,19,21,13,10,3,4,7,22,8,20,6,5,2/E:(1,2)(5,6)(7,8)(11,12)(20,21)/rA:24COCCONCNCCCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;s3s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.340;  7.540;  7.750;  7.390,7.505,0.159,0.092,4.0,7.465,0.1
-FDSXCQTXUSQQFH_on_Q13255_WT,Low,ChEMBL30,CHEMBL72366,NC(Cc1c(Cl)c(O)no1)C(=O)O,FDSXCQTXUSQQFH,FDSXCQTXUSQQFH-UHFFFAOYSA-N,"InChI=1S/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:3,2,4,5,7,11,6,1,9,8,12,13,10/E:(11,12)/rA:13NCCCCClCONOCOO/rB:s1;s2;s3;d4;s5;s5;s7;d7;s4s9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717933,PMID:12747796,2003.0,PMID:12747796,2003,0,0,0,1,0,,=,  3.066,3.0660000000000003,0.0,0.0,1.0,3.0660000000000003,0.0
-FDUYIOSVUSYEQJ_on_P14867_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-FDUYIOSVUSYEQJ_on_P18507_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL681480;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.980;  6.790;  7.590;  6.790,7.037000000000001,0.32799999999999996,0.19,4.0,6.885,0.095
-FDUYIOSVUSYEQJ_on_P28472_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.790;  7.590;  6.790;  6.980,7.037000000000001,0.32799999999999996,0.19,4.0,6.885,0.095
-FDUYIOSVUSYEQJ_on_P31644_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-FDUYIOSVUSYEQJ_on_P34903_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-FDUYIOSVUSYEQJ_on_P47869_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-FDUYIOSVUSYEQJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL420044,CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1,FDUYIOSVUSYEQJ,FDUYIOSVUSYEQJ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4/c1-5-9-26-13-7-8-16-14(10-13)18-15(12-24-4)19(20(23)25-6-2)21-11-17(18)22(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3","""AuxInfo=1/0/N:1,24,12,18,2,23,10,9,3,6,26,16,5,7,15,8,13,14,19,20,25,11,21,17,22,4/rA:26CCCOCCCCCCNCCCCCOCCCOOCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s8;s11;s11;s7d13;s14;s15;s16;s17;d15;s19;d20;s20;s22;s23;s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FDVMNGFCCNFSLC_on_P14867_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FDVMNGFCCNFSLC_on_P18507_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.550;  6.550;  7.660,6.92,0.523,0.37,3.0,6.55,0.0
-FDVMNGFCCNFSLC_on_P28472_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.550;  7.660;  6.550,6.92,0.523,0.37,3.0,6.55,0.0
-FDVMNGFCCNFSLC_on_P31644_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-FDVMNGFCCNFSLC_on_P34903_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-FDVMNGFCCNFSLC_on_P47869_WT,Low,ChEMBL30,CHEMBL178508,Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,FDVMNGFCCNFSLC,FDVMNGFCCNFSLC-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-2-3-8-19(15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-18-7-4-5-13-25-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,28,17,16,30,18,27,23,25,22,26,15,12,2,24,21,13,3,8,9,4,7,10,14,5,6,19,20,11/E:(9,10)(11,12)/rA:30CCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-FDZNYNFSJCNPJW_on_P41594_WT,Low,ChEMBL30,CHEMBL385776,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCC2)c1=O,FDZNYNFSJCNPJW,FDZNYNFSJCNPJW-UHFFFAOYSA-N,"InChI=1S/C15H16N4OS/c1-18(2)10-6-7-16-14-11(10)12-13(21-14)15(20)19(8-17-12)9-4-3-5-9/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,9,8,14,16,4,5,12,11,6,20,7,13,2,15,21,10/E:(1,2)(4,5)/rA:21CNCCCCNCCSCCNCNCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s16s18;s11s15;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FDZNYNFSJCNPJW_on_Q13255_WT,High,ChEMBL30,CHEMBL385776,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCC2)c1=O,FDZNYNFSJCNPJW,FDZNYNFSJCNPJW-UHFFFAOYSA-N,"InChI=1S/C15H16N4OS/c1-18(2)10-6-7-16-14-11(10)12-13(21-14)15(20)19(8-17-12)9-4-3-5-9/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,9,8,14,16,4,5,12,11,6,20,7,13,2,15,21,10/E:(1,2)(4,5)/rA:21CNCCCCNCCSCCNCNCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s16s18;s11s15;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-FEBNTWHYQKGEIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL1545045,CC(=CC1CCC(C)C2CCC(C)=C12)C(=O)O,FEBNTWHYQKGEIQ,FEBNTWHYQKGEIQ-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:8,13,1,6,11,5,10,3,7,12,2,4,9,14,15,16,17/E:(16,17)/rA:17CCCCCCCCCCCCCCCOO/rB:s1;w?2;s3;s4;s5;s6;s7;s7;s9;s10;s11;s12;s4s9w?12;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FEBNTWHYQKGEIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1545045,CC(=CC1CCC(C)C2CCC(C)=C12)C(=O)O,FEBNTWHYQKGEIQ,FEBNTWHYQKGEIQ-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:8,13,1,6,11,5,10,3,7,12,2,4,9,14,15,16,17/E:(16,17)/rA:17CCCCCCCCCCCCCCCOO/rB:s1;w?2;s3;s4;s5;s6;s7;s7;s9;s10;s11;s12;s4s9w?12;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FEBNTWHYQKGEIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1545045,CC(=CC1CCC(C)C2CCC(C)=C12)C(=O)O,FEBNTWHYQKGEIQ,FEBNTWHYQKGEIQ-UHFFFAOYSA-N,"InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:8,13,1,6,11,5,10,3,7,12,2,4,9,14,15,16,17/E:(16,17)/rA:17CCCCCCCCCCCCCCCOO/rB:s1;w?2;s3;s4;s5;s6;s7;s7;s9;s10;s11;s12;s4s9w?12;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FEEONEKLFGDWHR_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,10047169;CHEMBL182371,CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,FEEONEKLFGDWHR,FEEONEKLFGDWHR-UHFFFAOYSA-N,"InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,9,2,17,16,3,22,29,21,30,11,12,18,15,8,23,20,7,4,13,5,24,25,28,26,27,10,6,19,14/E:(7,8)(9,10)(23,24)(25,26)/rA:30CCCCCOCCCOCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;s5;s7;s8;d8;d7;s11;s4d12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:15454221,2004.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  6.458;  6.460,6.459,0.001,0.001,2.0,6.459,0.001
-FELLWSPKJLIKKD_on_P41594_WT,High,ChEMBL30,CHEMBL3660254,O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1,FELLWSPKJLIKKD,FELLWSPKJLIKKD-UHFFFAOYSA-N,"InChI=1S/C15H11N5O2/c21-15(20-14-3-1-2-5-19-14)13-7-11(4-6-18-13)22-12-8-16-10-17-9-12/h1-10H,(H,19,20,21)","""AuxInfo=1/1/N:6,7,5,20,8,21,11,15,19,17,12,14,10,4,2,16,18,22,9,3,1,13/E:(8,9)(16,17)/rA:22OCNCCCCCNCCCOCCNCNCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d12;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-FEMLPSXXWBIURG_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL438156;44453073,CCOC(=O)c1cn2cc(C)nc(C#Cc3cscc3)c2c1,FEMLPSXXWBIURG,FEMLPSXXWBIURG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2S/c1-3-21-17(20)14-8-16-15(5-4-13-6-7-22-11-13)18-12(2)9-19(16)10-14/h6-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,15,14,20,19,22,9,7,17,10,16,6,13,21,4,12,8,5,3,18/rA:22CCOCOCCNCCCNCCCCCSCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;s18;s16d19;s8s13;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-FEMYXLZHLZHXFH_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11450605;CHEMBL174216,COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1,FEMYXLZHLZHXFH,FEMYXLZHLZHXFH-UHFFFAOYSA-N,"InChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3","""AuxInfo=1/0/N:23,1,20,19,5,24,10,4,25,11,21,18,16,6,9,15,17,3,12,7,14,13,22,8,2/E:(5,6)(8,9)/rA:25COCCCCCOCCCCNCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s15;s19;s20;s14s21;s22;s6;s3s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  7.538;  7.540,7.539,0.001,0.001,2.0,7.539,0.001
-FERIKTBTNCSGJS_on_O00222_WT,High,ChEMBL30,CHEMBL285043,NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1,FERIKTBTNCSGJS,FERIKTBTNCSGJS-UHFFFAOYSA-N,"InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,15,7,11,8,12,3,2,1,9,10,13,14,4,5/E:(1,2)(3,4)(5,6)(10,11,12,13)(14,15)/gE:(1,2)/rA:15NCCOOCCCOOCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;d12;s12;s2s11;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-FERIKTBTNCSGJS_on_O15303_WT,High,ChEMBL30,CHEMBL285043,NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1,FERIKTBTNCSGJS,FERIKTBTNCSGJS-UHFFFAOYSA-N,"InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,15,7,11,8,12,3,2,1,9,10,13,14,4,5/E:(1,2)(3,4)(5,6)(10,11,12,13)(14,15)/gE:(1,2)/rA:15NCCOOCCCOOCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;d12;s12;s2s11;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-FERIKTBTNCSGJS_on_Q14831_WT,Low,ChEMBL30,CHEMBL285043,NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1,FERIKTBTNCSGJS,FERIKTBTNCSGJS-UHFFFAOYSA-N,"InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,15,7,11,8,12,3,2,1,9,10,13,14,4,5/E:(1,2)(3,4)(5,6)(10,11,12,13)(14,15)/gE:(1,2)/rA:15NCCOOCCCOOCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;d12;s12;s2s11;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037497,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.553,3.553,0.0,0.0,1.0,3.553,0.0
-FERIKTBTNCSGJS_on_Q14833_WT,High,ChEMBL30,CHEMBL285043,NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1,FERIKTBTNCSGJS,FERIKTBTNCSGJS-UHFFFAOYSA-N,"InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,15,7,11,8,12,3,2,1,9,10,13,14,4,5/E:(1,2)(3,4)(5,6)(10,11,12,13)(14,15)/gE:(1,2)/rA:15NCCOOCCCOOCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;d12;s12;s2s11;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:9301676,1997.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-FESCSZDQOFYRDR_on_P14867_WT,Medium,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:10633039,2000.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-FESCSZDQOFYRDR_on_P18507_WT,Low,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.380;  7.320;  8.170;  7.120,7.497000000000001,0.4,0.231,4.0,7.35,0.13
-FESCSZDQOFYRDR_on_P28472_WT,Low,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.120;  7.380;  7.320;  8.170,7.497999999999999,0.4,0.231,4.0,7.35,0.13
-FESCSZDQOFYRDR_on_P31644_WT,Medium,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:10633039,2000.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-FESCSZDQOFYRDR_on_P34903_WT,Low,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-FESCSZDQOFYRDR_on_P47869_WT,Low,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-FESCSZDQOFYRDR_on_Q16445_WT,Low,ChEMBL30,CHEMBL174535,C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1,FESCSZDQOFYRDR,FESCSZDQOFYRDR-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,17,21,8,7,4,13,3,16,5,6,11,15,14,9,12/E:(5,6)(7,8)/rA:21CCCCCCCCNCCOCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;d11;s11;s13;s5w?14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FESJPTYXCWUOQM_on_P31644_WT,High,ChEMBL30,CHEMBL3681624,O=C(NCCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,FESJPTYXCWUOQM,FESJPTYXCWUOQM-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O4/c20-16-5-2-13(3-6-16)18-15(12-27-23-18)11-26-17-7-4-14(10-22-17)19(25)21-8-1-9-24/h2-7,10,12,24H,1,8-9,11H2,(H,21,25)","""AuxInfo=1/1/N:5,20,25,9,21,24,10,4,6,27,13,15,19,8,14,22,11,18,2,23,3,26,17,7,1,12,16/E:(2,3)(5,6)/rA:27OCNCCCOCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s6;s2;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.990,7.99,0.0,0.0,1.0,7.99,0.0
-FESQXMPJZDBHFD_on_P18507_WT,Low,ChEMBL30,CHEMBL1081496,Clc1c2Cn3ncnc3-c3c(ccc(-n4ccnc4)c3)-n2cn1,FESQXMPJZDBHFD,FESQXMPJZDBHFD-UHFFFAOYSA-N,"InChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2","""AuxInfo=1/0/N:13,12,17,16,20,4,7,19,22,14,10,11,3,2,9,1,18,8,23,6,15,21,5/rA:23ClCCCNNCNCCCCCCNCCNCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-FESQXMPJZDBHFD_on_P28472_WT,Low,ChEMBL30,CHEMBL1081496,Clc1c2Cn3ncnc3-c3c(ccc(-n4ccnc4)c3)-n2cn1,FESQXMPJZDBHFD,FESQXMPJZDBHFD-UHFFFAOYSA-N,"InChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2","""AuxInfo=1/0/N:13,12,17,16,20,4,7,19,22,14,10,11,3,2,9,1,18,8,23,6,15,21,5/rA:23ClCCCNNCNCCCCCCNCCNCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-FESQXMPJZDBHFD_on_P31644_WT,Low,ChEMBL30,CHEMBL1081496,Clc1c2Cn3ncnc3-c3c(ccc(-n4ccnc4)c3)-n2cn1,FESQXMPJZDBHFD,FESQXMPJZDBHFD-UHFFFAOYSA-N,"InChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2","""AuxInfo=1/0/N:13,12,17,16,20,4,7,19,22,14,10,11,3,2,9,1,18,8,23,6,15,21,5/rA:23ClCCCNNCNCCCCCCNCCNCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s15d18;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-FEUUEDWGFHWSKC_on_P41594_WT,High,ChEMBL30,CHEMBL1682826,O=C1CCOc2c1ccc(OCc1ccccc1)n2,FEUUEDWGFHWSKC,FEUUEDWGFHWSKC-UHFFFAOYSA-N,"InChI=1S/C15H13NO3/c17-13-8-9-18-15-12(13)6-7-14(16-15)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2","""AuxInfo=1/0/N:16,15,17,14,18,8,9,3,4,12,13,7,2,10,6,19,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.810;  6.810,6.81,0.0,0.0,2.0,6.81,0.0
-FEWRLNUBCPYGJB_on_P41594_WT,Medium,ChEMBL30,CHEMBL4107412,O=C1OC2CCCC2N1c1ccc(C#Cc2cc(F)cnc2)cn1,FEWRLNUBCPYGJB,FEWRLNUBCPYGJB-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2/c19-14-8-13(9-20-11-14)5-4-12-6-7-17(21-10-12)22-15-2-1-3-16(15)24-18(22)23/h6-11,15-16H,1-3H2","""AuxInfo=1/0/N:6,7,5,14,15,12,11,17,22,23,20,13,16,18,8,4,10,2,19,21,24,9,1,3/rA:24OCOCCCCCNCCCCCCCCCFCNCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;s18;d18;s20;s16d21;s13;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-FEWYFDSOTZFXLM_on_P41594_WT,Low,ChEMBL30,CHEMBL377273,C=Cc1ncc(C#Cc2csc(C)n2)cc1,FEWYFDSOTZFXLM,FEWYFDSOTZFXLM-UHFFFAOYSA-N,"InChI=1S/C13H10N2S/c1-3-12-6-4-11(8-14-12)5-7-13-9-16-10(2)15-13/h3-4,6,8-9H,1H2,2H3","""AuxInfo=1/0/N:1,13,2,15,7,16,8,5,10,12,6,3,9,4,14,11/rA:16CCCNCCCCCCSCCNCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;s11;s12;s9d12;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FEXYSDNSTBOPOP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971379,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc43)cc2n1,FEXYSDNSTBOPOP,FEXYSDNSTBOPOP-UHFFFAOYSA-N,"InChI=1S/C23H16FN5O/c24-16-6-4-15(5-7-16)18-11-21(22(25)30)28-20-10-14(3-8-17(18)20)12-29-13-27-19-2-1-9-26-23(19)29/h1-11,13H,12H2,(H2,25,30)","""AuxInfo=1/1/N:24,23,16,8,13,9,12,15,25,28,5,18,20,17,7,10,14,6,22,29,4,2,27,11,1,26,21,30,19,3/E:(4,5)(6,7)/rA:30NCOCCCCCCCFCCCCCCCNCNCCCCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s19s22d26;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-FEYVFTVJSPEYTO_on_Q14833_WT,High,ChEMBL30,CHEMBL474453,Cc1c(NN=Cc2cc(O)ccc2)nc2ccccc2n1,FEYVFTVJSPEYTO,FEYVFTVJSPEYTO-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-17-10-12-5-4-6-13(21)9-12/h2-10,21H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,18,17,12,13,11,19,16,8,6,2,7,9,20,15,3,5,21,14,4,10/rA:21CCCNNCCCCOCCCNCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;s3;d14;s15;d16;s17;d18;s15s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL948800,PMID:19097893,2009.0,PMID:19097893,2009,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FFBFCGDHUGTWJZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11694640;CHEMBL370142,Cc1nc(C#Cc2cccc(C(F)(F)F)c2)cs1,FFBFCGDHUGTWJZ,FFBFCGDHUGTWJZ-UHFFFAOYSA-N,"InChI=1S/C13H8F3NS/c1-9-17-12(8-18-9)6-5-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,16,17,2,7,11,4,12,13,14,15,3,18/E:(14,15,16)/rA:18CCNCCCCCCCCCFFFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s12;s12;s7d11;d4;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.384;  6.380,6.382000000000001,0.002,0.002,2.0,6.382000000000001,0.002
-FFEJVVWWAAIHPR_on_P31644_WT,High,ChEMBL30,CHEMBL3676483,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccccc2)no1,FFEJVVWWAAIHPR,FFEJVVWWAAIHPR-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-15-19(21(25-29-15)16-5-3-2-4-6-16)14-28-20-8-7-17(13-23-20)22(26)24-18-9-11-27-12-10-18/h2-8,13,18H,9-12,14H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,24,26,23,27,8,7,14,18,15,17,19,4,2,22,9,13,3,6,21,10,20,12,28,11,16,5,29/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCOCCCCCONCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-FFHLEUXCUVULKP_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118535;CHEMBL1951877,CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(C)cc2)cc1,FFHLEUXCUVULKP,FFHLEUXCUVULKP-UHFFFAOYSA-N,"InChI=1S/C19H17N3OS/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)24-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,20,2,18,21,17,22,5,24,6,23,19,16,10,4,9,11,8,13,3,7,15,14,12/E:(4,5)(6,7)/rA:24CCNCCCNCCCCSCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s19;s16d21;s15;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  8.114;  8.110,8.112,0.002,0.002,2.0,8.112,0.002
-FFIJKSHMFVHCAE_on_P18507_WT,Low,ChEMBL30,CHEMBL211506,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F,FFIJKSHMFVHCAE,FFIJKSHMFVHCAE-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-16(26-10-28-31)9-33-21-17(11-4-2-3-5-12(11)22)15-8-27-29-20(32(15)30-21)18-13(23)6-7-14(24)19(18)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,17,24,7,4,27,32,14,18,25,6,26,13,20,12,9,33,15,19,21,5,23,3,22,10,2,11,8/rA:33CNNCNCCOCNNCCCFCCCFCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-FFIJKSHMFVHCAE_on_P28472_WT,Low,ChEMBL30,CHEMBL211506,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F,FFIJKSHMFVHCAE,FFIJKSHMFVHCAE-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-16(26-10-28-31)9-33-21-17(11-4-2-3-5-12(11)22)15-8-27-29-20(32(15)30-21)18-13(23)6-7-14(24)19(18)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,17,24,7,4,27,32,14,18,25,6,26,13,20,12,9,33,15,19,21,5,23,3,22,10,2,11,8/rA:33CNNCNCCOCNNCCCFCCCFCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-FFIJKSHMFVHCAE_on_P34903_WT,Low,ChEMBL30,CHEMBL211506,Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F,FFIJKSHMFVHCAE,FFIJKSHMFVHCAE-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-16(26-10-28-31)9-33-21-17(11-4-2-3-5-12(11)22)15-8-27-29-20(32(15)30-21)18-13(23)6-7-14(24)19(18)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,17,24,7,4,27,32,14,18,25,6,26,13,20,12,9,33,15,19,21,5,23,3,22,10,2,11,8/rA:33CNNCNCCOCNNCCCFCCCFCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-FFJXZFIIPRSDPF_on_P41594_WT,Low,ChEMBL30,CHEMBL205310,Cc1ccc(COc2cc(C)cc(N3C(=O)c4c(cccc4)C3=O)c2)cc1,FFJXZFIIPRSDPF,FFJXZFIIPRSDPF-UHFFFAOYSA-N,"InChI=1S/C23H19NO3/c1-15-7-9-17(10-8-15)14-27-19-12-16(2)11-18(13-19)24-22(25)20-5-3-4-6-21(20)23(24)26/h3-13H,14H2,1-2H3","""AuxInfo=1/0/N:1,11,20,21,19,22,3,27,4,26,12,9,25,6,2,10,5,13,8,18,17,23,15,14,24,16,7/E:(3,4)(5,6)(7,8)(9,10)(20,21)(22,23)(25,26)/rA:27CCCCCCOCCCCCCNCOCCCCCCCOCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d10;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s8d13;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFPHNWZOKBEXTG_on_Q05586_WT,Low,ChEMBL30,CHEMBL228379,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,FFPHNWZOKBEXTG,FFPHNWZOKBEXTG-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-12,27-28H,5-8,13-20,26H2,(H,29,31)","""AuxInfo=1/1/N:21,30,22,29,7,8,3,12,20,31,23,28,24,25,2,6,9,4,11,13,19,26,18,27,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.360;  6.020,6.19,0.17,0.17,2.0,6.19,0.17
-FFPHNWZOKBEXTG_on_Q12879_WT,Low,ChEMBL30,CHEMBL228379,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,FFPHNWZOKBEXTG,FFPHNWZOKBEXTG-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-12,27-28H,5-8,13-20,26H2,(H,29,31)","""AuxInfo=1/1/N:21,30,22,29,7,8,3,12,20,31,23,28,24,25,2,6,9,4,11,13,19,26,18,27,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-FFPHNWZOKBEXTG_on_Q13224_WT,Low,ChEMBL30,CHEMBL228379,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,FFPHNWZOKBEXTG,FFPHNWZOKBEXTG-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-7-18-27-16-5-6-17-28-19-8-20-29-25(31)30-23-11-3-1-9-21(23)13-14-22-10-2-4-12-24(22)30/h1-4,9-12,27-28H,5-8,13-20,26H2,(H,29,31)","""AuxInfo=1/1/N:21,30,22,29,7,8,3,12,20,31,23,28,24,25,2,6,9,4,11,13,19,26,18,27,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCNCCCCNCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-FFSGPPYSYVXBKP_on_P41594_WT,High,ChEMBL30,CHEMBL4239987,CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1,FFSGPPYSYVXBKP,FFSGPPYSYVXBKP-UHFFFAOYSA-N,"InChI=1S/C45H54N8O4S/c1-3-23-52(40-18-19-42-36(27-40)9-8-10-43(42)54)25-21-34-11-14-37(15-12-34)49-44(55)20-17-38-30-53(51-50-38)24-7-5-4-6-22-47-45(56)31-57-41-26-35(28-46-29-41)13-16-39-32-58-33(2)48-39/h8-12,14-15,26,28-30,32,40,54H,3-7,17-25,27,31H2,1-2H3,(H,47,56)(H,49,55)","""AuxInfo=1/1/N:1,39,2,22,21,23,20,54,53,55,8,47,33,9,46,34,15,49,50,14,6,24,3,19,5,31,58,41,43,17,28,36,38,7,32,52,10,16,35,48,30,51,56,12,26,42,25,40,11,45,44,4,18,57,13,27,29,37/E:(11,12)(14,15)/rA:58CCCNCCCCCCNCOCCCCNCCCCCCNCOCOCCCCCCCSCCNCNCNNCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s12;s14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s26;s28;s29;d30;s31;s32;t33;s34;d35;s36;s37;s38;s35d38;d32;s41;s30d42;s18;s16d44;s10;s7d46;s4;s48;s49;s50;d51;s52;d53;s54;s51d55;s56;s48s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-FFSMFNXRVOENEN_on_P41594_WT,Medium,ChEMBL30,CHEMBL4108911,O=C(NC12CCCC(C#Cc3ncccc3F)(CC1)C2)c1cnccn1,FFSMFNXRVOENEN,FFSMFNXRVOENEN-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O/c21-15-3-1-10-23-16(15)4-7-19-5-2-6-20(14-19,9-8-19)25-18(26)17-13-22-11-12-24-17/h1,3,10-13H,2,5-6,8-9,14H2,(H,25,26)","""AuxInfo=1/1/N:14,6,15,10,7,5,9,18,19,13,24,25,22,20,16,11,21,2,8,4,17,23,12,26,3,1/rA:26OCNCCCCCCCCNCCCCFCCCCCNCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s16;s8;s4s18;s4s8;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FFTTVUHJOUFETK_on_O15399_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_O60391_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFTTVUHJOUFETK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194915,N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2,FFTTVUHJOUFETK,FFTTVUHJOUFETK-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:7,9,11,18,20,22,13,5,12,24,16,23,8,6,10,19,17,21,2,4,15,1,3,14/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(20,21)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FFWZQXJIQQIKPV_on_P41594_WT,Low,ChEMBL30,CHEMBL3655600,O=C(Nc1nc(Oc2ccc(C(F)(F)F)nc2)cnc1)c1cccc(Cl)c1,FFWZQXJIQQIKPV,FFWZQXJIQQIKPV-UHFFFAOYSA-N,"InChI=1S/C17H10ClF3N4O2/c18-11-3-1-2-10(6-11)16(26)25-14-8-22-9-15(24-14)27-12-4-5-13(23-7-12)17(19,20)21/h1-9H,(H,24,25,26)","""AuxInfo=1/1/N:23,22,24,9,10,27,17,20,18,21,25,8,11,4,6,2,12,26,13,14,15,19,16,5,3,1,7/E:(19,20,21)/rA:27OCNCNCOCCCCCFFFNCCNCCCCCCClC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s12;s12;s11;s8d16;d6;s18;s4d19;s2;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGFZTQXFKXNZHI_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892882,CN1C(=O)N(c2ccc(C#Cc3cn(C)nc3)cn2)CC1(C)C,FGFZTQXFKXNZHI,FGFZTQXFKXNZHI-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c1-17(2)12-22(16(23)21(17)4)15-8-7-13(9-18-15)5-6-14-10-19-20(3)11-14/h7-11H,12H2,1-4H3","""AuxInfo=1/0/N:22,23,15,1,10,11,8,7,18,17,13,20,9,12,6,3,21,19,16,14,2,5,4/E:(1,2)/rA:23CNCONCCCCCCCCNCNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;s14;s14;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-FGGGMFHQRRVFJH_on_Q14416_WT,High,ChEMBL30,CHEMBL3910866,Fc1cccc(F)c1C1CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1,FGGGMFHQRRVFJH,FGGGMFHQRRVFJH-UHFFFAOYSA-N,"InChI=1S/C23H23F5N4/c24-17-2-1-3-18(25)20(17)15-6-9-31(10-7-15)13-16-8-11-32-19(12-14-4-5-14)29-30-22(32)21(16)23(26,27)28/h1-3,8,11,14-15H,4-7,9-10,12-13H2","""AuxInfo=1/0/N:4,3,5,26,27,10,32,30,11,31,29,24,13,25,9,14,2,6,23,8,15,20,16,1,7,17,18,19,22,21,12,28/E:(2,3)(4,5)(6,7)(9,10)(17,18)(24,25)(26,27,28)/rA:32FCCCCCFCCCCNCCCCFFFCNNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;s10;s11;s12;s13;d14;s15;s16;s16;s16;s15;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s14d29;s12;s9s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-FGHLZANGDTXCLO_on_P41594_WT,High,ChEMBL30,CHEMBL3702415,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c(C)n1,FGHLZANGDTXCLO,FGHLZANGDTXCLO-UHFFFAOYSA-N,"InChI=1S/C18H17IN4O/c1-11-10-23(12(2)21-11)17-8-16-14-4-3-5-15(19)13(14)6-7-22(16)18(24)9-20-17/h3-5,8,10H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:1,23,16,15,17,12,11,21,7,3,2,22,13,14,18,20,5,8,19,6,24,10,4,9/rA:24CCCNCNCCONCCCCCCCCICCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s10s14;s5w?20;s4;s22;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-FGHLZANGDTXCLO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702415,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c(C)n1,FGHLZANGDTXCLO,FGHLZANGDTXCLO-UHFFFAOYSA-N,"InChI=1S/C18H17IN4O/c1-11-10-23(12(2)21-11)17-8-16-14-4-3-5-15(19)13(14)6-7-22(16)18(24)9-20-17/h3-5,8,10H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:1,23,16,15,17,12,11,21,7,3,2,22,13,14,18,20,5,8,19,6,24,10,4,9/rA:24CCCNCNCCONCCCCCCCCICCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s10s14;s5w?20;s4;s22;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-FGHNRDZSSGLQRL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114600,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1F,FGHNRDZSSGLQRL,FGHNRDZSSGLQRL-UHFFFAOYSA-N,"InChI=1S/C22H24FN3O2/c1-13-9-17(10-14(2)24-13)21-19-7-8-28-15(3)12-26(19)22(25-21)16-5-6-20(27-4)18(23)11-16/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:13,16,23,1,5,4,19,20,11,17,26,24,12,15,22,6,10,27,18,3,9,7,28,14,8,25,2,21/E:(1,2)(9,10)(13,14)/rA:28COCCCCCNCCCCCNCCCCCCOCCCNCCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-FGIYNSOZTOFNTM_on_O00222_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4671166,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGIYNSOZTOFNTM_on_P41594_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4671165,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGIYNSOZTOFNTM_on_Q13255_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL4671161,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGIYNSOZTOFNTM_on_Q14416_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4671162,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGIYNSOZTOFNTM_on_Q14832_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4671163,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGIYNSOZTOFNTM_on_Q14833_WT,Low,ChEMBL30,CHEMBL1527295,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1,FGIYNSOZTOFNTM,FGIYNSOZTOFNTM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","""AuxInfo=1/0/N:1,12,2,26,27,14,15,25,28,13,20,29,19,30,7,16,6,23,22,10,9,17,4,24,8,21,18,5,11,3/E:(11,12)(13,14)/rA:30CCOCOCCNCCOCCCCCCNCCNCCFCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s23;d25;s26;s22d27;s21;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4671164,PMID:32944146,2020.0,PMID:32944146,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FGLNLMWPPRTVSQ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,72163434;CHEMBL2418374;CHEMBL2418374,O=C(CC12CC3CC(CC(C3)C1)C2)N1CC2CN(c3ccccn3)CC2C1,FGLNLMWPPRTVSQ,FGLNLMWPPRTVSQ-UHFFFAOYSA-N,"InChI=1S/C23H31N3O/c27-22(11-23-8-16-5-17(9-23)7-18(6-16)10-23)26-14-19-12-25(13-20(19)15-26)21-3-1-2-4-24-21/h1-4,16-20H,5-15H2","""AuxInfo=1/0/N:21,22,20,23,7,9,11,13,5,12,3,17,25,15,27,8,6,10,16,26,19,2,4,24,18,14,1/E:(5,6,7)(8,9,10)(12,13)(14,15)(16,17,18)(19,20)/rA:27OCCCCCCCCCCCCNCCCNCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s16s25;s14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:767436;CHEMBL2421151;CHEMBL2421151,PMID:23932792,2013.0,PubChemAID:767436;PMID:23932792;PMID:23932792,2014;2013;2013,0;1;1,0,0,0,1;0;0,,=,  5.845;  5.840;  5.840,5.8420000000000005,0.002,0.002,3.0,5.84,0.0
-FGOCJZANGVRDDB_on_P18507_WT,Low,ChEMBL30,CHEMBL1783284,COc1nc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)cc1,FGOCJZANGVRDDB,FGOCJZANGVRDDB-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)","""AuxInfo=1/1/N:1,7,22,23,13,27,12,28,21,8,14,10,3,9,15,26,17,18,5,11,16,20,4,25,24,19,2,6/E:(3,4)/rA:28COCNCOCCCCFCCCCNCCONCCCNNCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;d12;s13;d14;s15;s15;s17;d18;s18;s20;s21;s21s22;d17;s24;s9s14d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-FGOCJZANGVRDDB_on_P28472_WT,Low,ChEMBL30,CHEMBL1783284,COc1nc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)cc1,FGOCJZANGVRDDB,FGOCJZANGVRDDB-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)","""AuxInfo=1/1/N:1,7,22,23,13,27,12,28,21,8,14,10,3,9,15,26,17,18,5,11,16,20,4,25,24,19,2,6/E:(3,4)/rA:28COCNCOCCCCFCCCCNCCONCCCNNCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;d12;s13;d14;s15;s15;s17;d18;s18;s20;s21;s21s22;d17;s24;s9s14d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-FGOCJZANGVRDDB_on_P47869_WT,Low,ChEMBL30,CHEMBL1783284,COc1nc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)cc1,FGOCJZANGVRDDB,FGOCJZANGVRDDB-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)","""AuxInfo=1/1/N:1,7,22,23,13,27,12,28,21,8,14,10,3,9,15,26,17,18,5,11,16,20,4,25,24,19,2,6/E:(3,4)/rA:28COCNCOCCCCFCCCCNCCONCCCNNCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;d12;s13;d14;s15;s15;s17;d18;s18;s20;s21;s21s22;d17;s24;s9s14d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-FGPQYKHAVCWLAO_on_P31644_WT,High,ChEMBL30,CHEMBL3681622,O=C(NCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,FGPQYKHAVCWLAO,FGPQYKHAVCWLAO-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O4/c19-15-4-1-12(2-5-15)17-14(11-26-22-17)10-25-16-6-3-13(9-21-16)18(24)20-7-8-23/h1-6,9,11,23H,7-8,10H2,(H,20,24)","""AuxInfo=1/1/N:19,24,8,20,23,9,4,5,26,12,14,18,7,13,21,10,17,2,22,3,25,16,6,1,11,15/E:(1,2)(4,5)/rA:26OCNCCOCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-FGQIFROFERTXDJ_on_P41594_WT,Low,ChEMBL30,CHEMBL393705,Cc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1,FGQIFROFERTXDJ,FGQIFROFERTXDJ-UHFFFAOYSA-N,"InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3","""AuxInfo=1/0/N:1,3,24,4,23,16,17,19,7,2,15,5,13,14,9,10,12,21,18,20,8,6,22,11/E:(2,3)(4,5)/rA:24CCCCCNCNCCSCCCCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s15;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FGQIFROFERTXDJ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL393705;16659645,Cc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1,FGQIFROFERTXDJ,FGQIFROFERTXDJ-UHFFFAOYSA-N,"InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3","""AuxInfo=1/0/N:1,3,24,4,23,16,17,19,7,2,15,5,13,14,9,10,12,21,18,20,8,6,22,11/E:(2,3)(4,5)/rA:24CCCCCNCNCCSCCCCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s15;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859;PubChemAID:302748,PMID:17929793,2007.0,PMID:17929793;PubChemAID:302748,2007;2010,1;0,0,0,0,0;1,,=,  9.150;  9.155,9.152000000000001,0.002,0.002,2.0,9.152000000000001,0.002
-FGRFCTWFJTXHPJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,54582597;CHEMBL1779859,Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C(C)C)CC2,FGRFCTWFJTXHPJ,FGRFCTWFJTXHPJ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-14(2)22-13-12-19-18(20(22)23)11-10-17(21-19)9-8-16-7-5-4-6-15(16)3/h4-7,10-11,14H,12-13H2,1-3H3","""AuxInfo=1/0/N:20,21,1,4,5,3,6,8,9,15,14,23,22,19,2,7,10,13,12,16,11,18,17/E:(1,2)/rA:23CCCCCCCCCCNCCCCCONCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s13;d16;s16;s18;s19;s19;s18;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780494,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137,2012;2011,0;1,0,0,0,1;0,,=,  6.092;  6.090,6.091,0.001,0.001,2.0,6.091,0.001
-FGROCZOSPDQYJD_on_P41594_WT,High,ChEMBL30,CHEMBL3702434,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)cc4)C3=C2)cn1,FGROCZOSPDQYJD,FGROCZOSPDQYJD-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3","""AuxInfo=1/0/N:1,2,17,18,16,21,26,22,25,13,12,28,8,4,29,20,23,3,19,14,15,27,6,9,24,7,30,5,11,10/E:(6,7)(8,9)/rA:30CCCCNCNCCONCCCCCCCCCCCCFCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-FGROCZOSPDQYJD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702434,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)cc4)C3=C2)cn1,FGROCZOSPDQYJD,FGROCZOSPDQYJD-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3","""AuxInfo=1/0/N:1,2,17,18,16,21,26,22,25,13,12,28,8,4,29,20,23,3,19,14,15,27,6,9,24,7,30,5,11,10/E:(6,7)(8,9)/rA:30CCCCNCNCCONCCCCCCCCCCCCFCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-FGSFBIFPVGSOAE_on_P41594_WT,High,ChEMBL30,CHEMBL1682809,CC(C)c1noc(C#Cc2ccccc2)c1,FGSFBIFPVGSOAE,FGSFBIFPVGSOAE-UHFFFAOYSA-N,"InChI=1S/C14H13NO/c1-11(2)14-10-13(16-15-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,11,15,9,8,16,2,10,7,4,5,6/E:(1,2)(4,5)(6,7)/rA:16CCCCNOCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;s4d7;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.510;  6.510,6.51,0.0,0.0,2.0,6.51,0.0
-FGVGDGVYXOBKPG_on_Q14416_WT,High,ChEMBL30,CHEMBL3337509,CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O,FGVGDGVYXOBKPG,FGVGDGVYXOBKPG-UHFFFAOYSA-N,"InChI=1S/C21H25N3O/c1-16(2)15-24-13-10-20(19(14-22)21(24)25)23-11-8-18(9-12-23)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,15H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,11,19,7,10,20,6,22,4,2,13,12,21,8,24,23,9,5,25/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:25CCCCNCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;s9s19;d8;s21;t22;s5s21;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-FGYRNUQINXXIOB_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL188080;11950926,Cc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,FGYRNUQINXXIOB,FGYRNUQINXXIOB-UHFFFAOYSA-N,"InChI=1S/C25H31N5O2/c1-18-21-13-14-30(17-25(2,3)4)22(21)11-12-23(18)32-16-6-5-15-31-20-9-7-19(8-10-20)24-26-28-29-27-24/h7-14H,5-6,15-17H2,1-4H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,9,10,11,19,18,24,31,23,32,13,14,4,5,20,17,7,2,25,22,3,12,15,26,8,27,30,28,29,6,21,16/E:(2,3,4)(7,8)(9,10)(26,27)(28,29)/rA:32CCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s8;s8;s3s6;d12;s13;s2d14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;d26;s27;s28;s26d29;s25;s22d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  5.970;  5.971,5.97,0.001,0.001,2.0,5.97,0.001
-FHBDNYQWGUDACS_on_P41594_WT,Medium,ChEMBL30,CHEMBL391401,CN1CC(=O)N=C1NC(=O)Nc1ncccc1,FHBDNYQWGUDACS,FHBDNYQWGUDACS-UHFFFAOYSA-N,"InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H2,11,12,13,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,3,12,4,7,9,13,11,6,8,2,5,10/rA:17CNCCONCNCONCNCCCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955;CHEMBL885956,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.230;  5.960,6.095,0.135,0.135,2.0,6.095,0.135
-FHCLUARBHKHIQK_on_O00591_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_O14764_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P14867_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P18505_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P18507_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P28472_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P31644_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P34903_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P47869_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P47870_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P48169_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_P78334_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_Q16445_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHCLUARBHKHIQK_on_Q99928_WT,Low,ChEMBL30,CHEMBL1907853,CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2,FHCLUARBHKHIQK,FHCLUARBHKHIQK-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,20,22,28,27,19,23,29,26,10,15,11,14,18,9,12,24,25,17,5,7,3,13,16,6,2,8,4/E:(3,4)(7,8)(11,12)(13,14)/rA:29CNCOCNCOCCCCBrCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s5;w?16;s17;d18;s19;d20;s21;s18d22;s17;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654253,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-FHFSSXNVCRDHMA_on_Q14416_WT,Low,ChEMBL30,CHEMBL1096081,CCCCCCC1CN(c2c(C)cccc2)C(=O)O1,FHFSSXNVCRDHMA,FHFSSXNVCRDHMA-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-3-4-5-6-10-14-12-17(16(18)19-14)15-11-8-7-9-13(15)2/h7-9,11,14H,3-6,10,12H2,1-2H3","""AuxInfo=1/0/N:1,12,2,3,4,5,14,15,13,6,16,8,11,7,10,17,9,18,19/rA:19CCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FHOIEUPAOMOBKD_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3925193,Cc1c(S(=O)(=O)Cc2ccccc2F)sc(NC(=O)c2ccccn2)n1,FHOIEUPAOMOBKD,FHOIEUPAOMOBKD-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O3S2/c1-11-16(26(23,24)10-12-6-2-3-7-13(12)18)25-17(20-11)21-15(22)14-8-4-5-9-19-14/h2-9H,10H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,10,11,22,23,9,12,21,24,7,2,8,13,20,18,3,16,14,25,26,17,19,5,6,15,4/E:(23,24)/CRV:26.6/rA:26CCCSOOCCCCCCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s13;s3;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-FHPVPCRSNMYQFP_on_P41594_WT,High,ChEMBL30,CHEMBL374180,CN(C)c1c2c(ncc1)sc1c2nnn(C2CCCCCC2)c1=O,FHPVPCRSNMYQFP,FHPVPCRSNMYQFP-UHFFFAOYSA-N,"InChI=1S/C17H21N5OS/c1-21(2)12-9-10-18-16-13(12)14-15(24-16)17(23)22(20-19-14)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,17,22,9,8,16,4,5,12,11,6,23,7,13,14,2,15,24,10/E:(1,2)(3,4)(5,6)(7,8)/rA:24CNCCCCNCCSCCNNNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-FHPVPCRSNMYQFP_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11702918;CHEMBL374180,CN(C)c1c2c(ncc1)sc1c2nnn(C2CCCCCC2)c1=O,FHPVPCRSNMYQFP,FHPVPCRSNMYQFP-UHFFFAOYSA-N,"InChI=1S/C17H21N5OS/c1-21(2)12-9-10-18-16-13(12)14-15(24-16)17(23)22(20-19-14)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,17,22,9,8,16,4,5,12,11,6,23,7,13,14,2,15,24,10/E:(1,2)(3,4)(5,6)(7,8)/rA:24CNCCCCNCCSCCNNNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-FHQYMWVZSUSGOO_on_P41594_WT,High,ChEMBL30,CHEMBL3633946,CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12,FHQYMWVZSUSGOO,FHQYMWVZSUSGOO-UHFFFAOYSA-N,"InChI=1S/C18H23N3O2/c1-18(2,3)17(22)20-10-7-11-21-16(20)12-14(19-21)13-23-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,20,9,17,21,8,10,22,14,13,16,23,5,2,12,7,11,6,15/E:(1,2,3)(5,6)(8,9)/rA:23CCCCCONCCCNNCCOCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s7s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.050;  6.050,6.05,0.0,0.0,2.0,6.05,0.0
-FHRVZARNBUQTON_on_P41594_WT,High,ChEMBL30,CHEMBL2349547,Cc1nc(NC(=O)c2nn(C)c(OC3CCCCC3)c2C)ccc1,FHRVZARNBUQTON,FHRVZARNBUQTON-UHFFFAOYSA-N,"InChI=1S/C18H24N4O2/c1-12-8-7-11-15(19-12)20-17(23)16-13(2)18(22(3)21-16)24-14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23)","""AuxInfo=1/1/N:1,21,11,17,16,18,23,24,15,19,22,2,20,14,4,8,6,12,3,5,9,10,7,13/E:(5,6)(9,10)/rA:24CCNCNCOCNNCCOCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s14s18;s8d12;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-FHSFDLQSTNGRAJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3944966,CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)C1,FHSFDLQSTNGRAJ,FHSFDLQSTNGRAJ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)10-11-22(18(23)12-19)17-14-20-16(13-21-17)9-8-15-6-4-3-5-7-15/h3-7,13-14H,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,4,5,23,19,8,13,10,7,21,2,9,20,6,22/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCNCCCCCCCCCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-FHSJQVBWYCWMQV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903640,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C(F)F,FHSJQVBWYCWMQV,FHSJQVBWYCWMQV-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O2/c1-13-10-16(11-14(2)25-13)20-18-6-8-29-9-7-27(18)22(26-20)15-4-5-17(21(23)24)19(12-15)28-3/h4-5,10-12,21H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,26,17,3,8,27,6,28,29,13,7,23,2,20/E:(1,2)(10,11)(13,14)(23,24)/rA:29COCCCCNCCCCCNCCCCCCOCCNCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-FHTRGAAKDVJYQG_on_O15399_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_O60391_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_Q05586_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_Q12879_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_Q13224_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FHTRGAAKDVJYQG_on_Q14957_WT,Low,ChEMBL30,CHEMBL310668,NC1=Nc2c(cccc2)-c2c(cccc2)N1,FHTRGAAKDVJYQG,FHTRGAAKDVJYQG-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c14-13-15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,8,13,6,15,9,12,5,10,4,11,2,1,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16NCNCCCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;s4d8;s5;d10;s11;d12;s13;s10d14;s2s11;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FIBDJATYDSGBNS_on_P41594_WT,Low,ChEMBL30,CHEMBL257237,Cc1cn2cc(C)nc(C#Cc3ccc(C(F)(F)F)cc3)c2c1,FIBDJATYDSGBNS,FIBDJATYDSGBNS-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2/c1-12-9-17-16(22-13(2)11-23(17)10-12)8-5-14-3-6-15(7-4-14)18(19,20)21/h3-4,6-7,9-11H,1-2H3","""AuxInfo=1/0/N:1,7,13,21,11,14,20,10,23,3,5,2,6,12,15,9,22,16,17,18,19,8,4/E:(3,4)(6,7)(19,20,21)/rA:23CCCNCCCNCCCCCCCCFFFCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;s16;s16;s16;s15;s12d20;s4s9;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-FIBOSEZTJGLSEK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107888,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1Cl,FIBOSEZTJGLSEK,FIBOSEZTJGLSEK-UHFFFAOYSA-N,"InChI=1S/C21H21ClFN3O2/c1-13-9-14(5-7-24-13)20-18-6-8-28-16(11-23)12-26(18)21(25-20)15-3-4-17(22)19(10-15)27-2/h3-5,7,9-10,16H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,25,26,10,17,11,18,15,4,21,23,13,9,5,20,27,16,3,8,6,28,22,12,7,24,2,19/rA:28COCCCCNCCCCNCCCCCCOCCFCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-FIEANALIZMBYPO_on_Q12879_WT,Low,ChEMBL30,CHEMBL159744,Cc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(C)c1,FIEANALIZMBYPO,FIEANALIZMBYPO-UHFFFAOYSA-N,"InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:1,22,10,19,11,18,23,3,20,5,2,21,4,9,12,7,14,15,16,17,8,6,13/E:(1,2)(3,4)(5,6)(8,9)(11,12)(18,19,20)/rA:23CCCCCNCNCCCCOCFFFCCCCCC/rB:s1;d2;s3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;s13;s14;s14;s14;s12;s9d18;d4;s20;s21;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749389,PMID:12639561,2003.0,PMID:12639561,2003,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FIEANALIZMBYPO_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159744,Cc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(C)c1,FIEANALIZMBYPO,FIEANALIZMBYPO-UHFFFAOYSA-N,"InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:1,22,10,19,11,18,23,3,20,5,2,21,4,9,12,7,14,15,16,17,8,6,13/E:(1,2)(3,4)(5,6)(8,9)(11,12)(18,19,20)/rA:23CCCCCNCNCCCCOCFFFCCCCCC/rB:s1;d2;s3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;s13;s14;s14;s14;s12;s9d18;d4;s20;s21;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  8.920;  8.380,8.65,0.27,0.27,2.0,8.65,0.27
-FIKIMBFQZNGBQH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3955218,O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccccc1F)cs2,FIKIMBFQZNGBQH,FIKIMBFQZNGBQH-UHFFFAOYSA-N,InChI=1S/C18H10ClFN2OS/c19-11-5-7-12(8-6-11)22-10-21-16-14(9-24-17(16)18(22)23)13-3-1-2-4-15(13)20/h1-10H,"""AuxInfo=1/0/N:18,19,17,20,10,13,9,14,23,6,11,8,16,15,21,4,3,2,12,22,5,7,1,24/E:(5,6)(7,8)/rA:24OCCCNCNCCCCClCCCCCCCCCFCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;s15;d16;s17;d18;s19;s16d20;s21;d15;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-FIMZTNSDXIYRNP_on_O15399_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  6.240;  4.920,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_O60391_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  6.240;  4.920,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.920;  6.240,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  6.240;  4.920,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.920;  6.240,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  6.240;  4.920,5.58,0.66,0.66,2.0,5.58,0.66
-FIMZTNSDXIYRNP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180248,CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N,FIMZTNSDXIYRNP,FIMZTNSDXIYRNP-UHFFFAOYSA-N,"InChI=1S/C16H28N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.920;  6.240,5.58,0.66,0.66,2.0,5.58,0.66
-FIOIWRFRNXWADP_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155644;CHEMBL1097054,CCCCCCC1CN(c2ccccc2C#N)C(=O)O1,FIOIWRFRNXWADP,FIOIWRFRNXWADP-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2/c1-2-3-4-5-9-14-12-18(16(19)20-14)15-10-7-6-8-13(15)11-17/h6-8,10,14H,2-5,9,12H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,13,12,14,6,11,16,8,15,7,10,18,17,9,19,20/rA:20CCCCCCCCNCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s15;t16;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  5.754;  5.750,5.752000000000001,0.002,0.002,2.0,5.752000000000001,0.002
-FIRCGTAVXKWHDG_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215561;44416271,Cc1nc(C#CCOc2cc(O)nc3ccccc23)ccc1,FIRCGTAVXKWHDG,FIRCGTAVXKWHDG-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-13-6-4-7-14(19-13)8-5-11-22-17-12-18(21)20-16-10-3-2-9-15(16)17/h2-4,6-7,9-10,12H,11H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,17,16,21,6,22,20,5,18,15,7,10,2,4,19,14,9,11,3,13,12,8/rA:22CCNCCCCOCCCONCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;s11;d11;s13;d14;s15;d16;s17;s9s14d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  6.080;  6.084,6.082000000000001,0.002,0.002,2.0,6.082000000000001,0.002
-FIRUPXQGBDGWLX_on_P14867_WT,Low,ChEMBL30,CHEMBL55777,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)no3)c2)cc1,FIRUPXQGBDGWLX,FIRUPXQGBDGWLX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681638,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FIRUPXQGBDGWLX_on_P31644_WT,Low,ChEMBL30,CHEMBL55777,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)no3)c2)cc1,FIRUPXQGBDGWLX,FIRUPXQGBDGWLX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681481,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-FIRUPXQGBDGWLX_on_P34903_WT,Low,ChEMBL30,CHEMBL55777,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)no3)c2)cc1,FIRUPXQGBDGWLX,FIRUPXQGBDGWLX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FIRUPXQGBDGWLX_on_P47869_WT,Low,ChEMBL30,CHEMBL55777,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)no3)c2)cc1,FIRUPXQGBDGWLX,FIRUPXQGBDGWLX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681403,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-FITAZUAQYYAUHZ_on_P41594_WT,High,ChEMBL30,CHEMBL4086495,O=c1cc(OCc2cccc(Cl)c2)nc2CCCCn21,FITAZUAQYYAUHZ,FITAZUAQYYAUHZ-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h3-5,8-9H,1-2,6-7,10H2","""AuxInfo=1/0/N:17,18,9,8,10,16,19,13,3,6,7,11,15,4,2,12,14,20,1,5/rA:20OCCCOCCCCCCClCNCCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;d14;s15;s16;s17;s18;s2s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FITLMRYAEFSNBT_on_P41594_WT,Low,ChEMBL30,CHEMBL1783980,Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1,FITLMRYAEFSNBT,FITLMRYAEFSNBT-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-15-6-8-16(9-7-15)17(20)19-13-5-12-18(14-19)10-3-2-4-11-18/h6-9H,2-5,10-14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,10,3,20,4,19,13,17,11,9,18,2,5,6,12,8,7/E:(3,4)(6,7)(8,9)(10,11)/rA:20CCCCCCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8s12;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FIUWNNXHWOQZGO_on_P41594_WT,High,ChEMBL30,CHEMBL4091620,CC(C)CC1COCc2nc(OCc3cccc(C#N)c3)cc(=O)n21,FIUWNNXHWOQZGO,FIUWNNXHWOQZGO-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,4,21,22,19,13,6,8,2,18,14,5,9,11,23,20,10,25,24,7,12/E:(1,2)/rA:25CCCCCCOCCNCOCCCCCCCNCCCON/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s18;t19;s14d18;d11;s22;d23;s5s9s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-FIVYBYGNDSMHNJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894556,CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1,FIVYBYGNDSMHNJ,FIVYBYGNDSMHNJ-UHFFFAOYSA-N,"InChI=1S/C23H22F4N4O/c1-13-10-31(12-21(29-13)23(25,26)27)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32)","""AuxInfo=1/1/N:1,7,12,17,13,16,8,25,18,3,5,26,2,6,11,14,9,10,24,19,27,20,28,15,29,30,31,21,32,23,4,22/E:(3,4)(5,6)(25,26,27)/rA:32CCCNCCCCCCCCCCFCCCCCNONCCCCCFFFN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;d10;s18;s19;s20;d20;d19;s9s23;s6d24;s4;s26;s27;s28;s28;s28;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.620;  7.640;  7.820;  7.470,7.638,0.124,0.07200000000000001,4.0,7.63,0.085
-FIXFKUDATBTRAZ_on_P14867_WT,Low,ChEMBL30,CHEMBL202952,CC(C)(O)c1c(F)c2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,FIXFKUDATBTRAZ,FIXFKUDATBTRAZ-UHFFFAOYSA-N,"InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,26,25,29,28,13,21,10,12,20,15,14,5,23,11,6,8,2,24,7,22,9,27,4/E:(1,2)/rA:29CCCOCCFCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;t21;d14;s23;s23;s12d25;s8s11;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864376,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-FIXFKUDATBTRAZ_on_P18507_WT,Low,ChEMBL30,CHEMBL202952,CC(C)(O)c1c(F)c2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,FIXFKUDATBTRAZ,FIXFKUDATBTRAZ-UHFFFAOYSA-N,"InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,26,25,29,28,13,21,10,12,20,15,14,5,23,11,6,8,2,24,7,22,9,27,4/E:(1,2)/rA:29CCCOCCFCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;t21;d14;s23;s23;s12d25;s8s11;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL862582;CHEMBL864376,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.490;  9.700,9.595,0.105,0.105,2.0,9.595,0.105
-FIXFKUDATBTRAZ_on_P28472_WT,Low,ChEMBL30,CHEMBL202952,CC(C)(O)c1c(F)c2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,FIXFKUDATBTRAZ,FIXFKUDATBTRAZ-UHFFFAOYSA-N,"InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,26,25,29,28,13,21,10,12,20,15,14,5,23,11,6,8,2,24,7,22,9,27,4/E:(1,2)/rA:29CCCOCCFCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;t21;d14;s23;s23;s12d25;s8s11;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864376;CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.700;  9.490,9.595,0.105,0.105,2.0,9.595,0.105
-FIXFKUDATBTRAZ_on_P34903_WT,Low,ChEMBL30,CHEMBL202952,CC(C)(O)c1c(F)c2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,FIXFKUDATBTRAZ,FIXFKUDATBTRAZ-UHFFFAOYSA-N,"InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,26,25,29,28,13,21,10,12,20,15,14,5,23,11,6,8,2,24,7,22,9,27,4/E:(1,2)/rA:29CCCOCCFCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;t21;d14;s23;s23;s12d25;s8s11;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.490,9.49,0.0,0.0,1.0,9.49,0.0
-FIYKKDYTSVKXEL_on_P41594_WT,High,ChEMBL30,CHEMBL2205920,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,FIYKKDYTSVKXEL,FIYKKDYTSVKXEL-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,20,8,6,3,14,10,11,15,13,22,19,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FIYKKDYTSVKXEL_on_Q13255_WT,High,ChEMBL30,CHEMBL2205920,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,FIYKKDYTSVKXEL,FIYKKDYTSVKXEL-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,20,8,6,3,14,10,11,15,13,22,19,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-FIZNWUPYPQNYNU_on_Q14833_WT,High,ChEMBL30,CHEMBL3810375,CCc1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1,FIZNWUPYPQNYNU,FIZNWUPYPQNYNU-UHFFFAOYSA-N,"InChI=1S/C18H15ClFN3O3S2/c1-2-14-17(28(25,26)10-11-6-7-12(19)9-13(11)20)27-18(22-14)23-16(24)15-5-3-4-8-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,23,10,11,26,14,8,9,12,15,3,22,20,4,18,13,16,27,28,19,21,6,7,17,5/E:(25,26)/CRV:28.6/rA:28CCCCSOOCCCCCClCCFSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;d11;s12;s12;s9d14;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.660;  6.660,6.66,0.0,0.0,2.0,6.66,0.0
-FIZTZZUELBWXAD_on_P14867_WT,Low,ChEMBL30,CHEMBL445401,Fc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,FIZTZZUELBWXAD,FIZTZZUELBWXAD-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-4-2-1-3-12(13)14-9-11(5-7-23-14)15-10-24-17-25-16(18(20,21)22)6-8-26(15)17/h1-10H","""AuxInfo=1/0/N:5,4,6,3,11,23,10,24,26,14,12,7,2,8,13,18,16,19,1,20,21,22,9,15,17,25/E:(20,21,22)/rA:26FCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s19;s19;s18;d23;s13s16s24;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-FIZTZZUELBWXAD_on_P18507_WT,Low,ChEMBL30,CHEMBL445401,Fc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,FIZTZZUELBWXAD,FIZTZZUELBWXAD-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-4-2-1-3-12(13)14-9-11(5-7-23-14)15-10-24-17-25-16(18(20,21)22)6-8-26(15)17/h1-10H","""AuxInfo=1/0/N:5,4,6,3,11,23,10,24,26,14,12,7,2,8,13,18,16,19,1,20,21,22,9,15,17,25/E:(20,21,22)/rA:26FCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s19;s19;s18;d23;s13s16s24;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.850;  8.080,7.965,0.115,0.115,2.0,7.965,0.115
-FIZTZZUELBWXAD_on_P28472_WT,Low,ChEMBL30,CHEMBL445401,Fc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,FIZTZZUELBWXAD,FIZTZZUELBWXAD-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-4-2-1-3-12(13)14-9-11(5-7-23-14)15-10-24-17-25-16(18(20,21)22)6-8-26(15)17/h1-10H","""AuxInfo=1/0/N:5,4,6,3,11,23,10,24,26,14,12,7,2,8,13,18,16,19,1,20,21,22,9,15,17,25/E:(20,21,22)/rA:26FCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s19;s19;s18;d23;s13s16s24;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.080;  7.850,7.965,0.115,0.115,2.0,7.965,0.115
-FIZTZZUELBWXAD_on_P34903_WT,Low,ChEMBL30,CHEMBL445401,Fc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,FIZTZZUELBWXAD,FIZTZZUELBWXAD-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-4-2-1-3-12(13)14-9-11(5-7-23-14)15-10-24-17-25-16(18(20,21)22)6-8-26(15)17/h1-10H","""AuxInfo=1/0/N:5,4,6,3,11,23,10,24,26,14,12,7,2,8,13,18,16,19,1,20,21,22,9,15,17,25/E:(20,21,22)/rA:26FCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s19;s19;s18;d23;s13s16s24;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-FJADGXRCKLHLAK_on_P14867_WT,Low,ChEMBL30,CHEMBL377925,Oc1noc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,FJADGXRCKLHLAK,FJADGXRCKLHLAK-UHFFFAOYSA-N,"InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNOCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-FJADGXRCKLHLAK_on_P18507_WT,Low,ChEMBL30,CHEMBL377925,Oc1noc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,FJADGXRCKLHLAK,FJADGXRCKLHLAK-UHFFFAOYSA-N,"InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNOCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-FJADGXRCKLHLAK_on_P28472_WT,Low,ChEMBL30,CHEMBL377925,Oc1noc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,FJADGXRCKLHLAK,FJADGXRCKLHLAK-UHFFFAOYSA-N,"InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNOCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-FJAJCQMJTGFLMM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115442,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1C,FJAJCQMJTGFLMM,FJAJCQMJTGFLMM-UHFFFAOYSA-N,"InChI=1S/C23H27N3O2/c1-14-10-18(6-7-21(14)27-5)23-25-22(19-11-15(2)24-16(3)12-19)20-8-9-28-17(4)13-26(20)23/h6-7,10-12,17H,8-9,13H2,1-5H3","""AuxInfo=1/0/N:28,13,16,23,1,5,4,19,20,26,11,17,24,27,12,15,22,6,10,18,3,9,7,14,8,25,2,21/E:(2,3)(11,12)(15,16)/rA:28COCCCCCNCCCCCNCCCCCCOCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-FJCKJZYQYPBUEV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3956202,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2N)c3)cc1,FJCKJZYQYPBUEV,FJCKJZYQYPBUEV-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30)","""AuxInfo=1/1/N:20,1,24,23,5,30,17,4,31,16,25,21,29,8,19,6,18,22,3,15,7,14,9,27,10,28,11,26,13,12,2/E:(5,6)(8,9)/rA:31COCCCCCCCCNONCCCCCCCCCCCCNCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s22d26;s27;s14d18;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.800;  7.820,7.81,0.01,0.01,2.0,7.81,0.01
-FJCUNOLOZZVCPV_on_O00591_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_O14764_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P14867_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P18505_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P18507_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P28472_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P31644_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P34903_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P47869_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P47870_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P48169_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_P78334_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_Q16445_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJCUNOLOZZVCPV_on_Q99928_WT,Low,ChEMBL30,CHEMBL83052,CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,FJCUNOLOZZVCPV,FJCUNOLOZZVCPV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4S/c1-3-21-16(20)12-9(2)19-15-13(14(12)18)10-4-5-17(8-11(10)24-15)22-6-7-23-17/h3-8H2,1-2H3,(H2,18,19)","""AuxInfo=1/1/N:1,13,2,17,18,22,23,20,12,16,15,6,9,7,10,4,19,8,11,5,3,21,24,14/E:(6,7)(22,23)/rA:24CCOCOCCNCCNCCSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s10;s14;s9d15;s16;s17;s18;s15s19;s19;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-FJESKHWZPXIAKH_on_O15399_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_O60391_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_Q05586_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_Q12879_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_Q13224_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJESKHWZPXIAKH_on_Q14957_WT,Low,ChEMBL30,CHEMBL78585,Cc1c(N=C(N)Nc2c(N)cccc2)cccc1,FJESKHWZPXIAKH,FJESKHWZPXIAKH-UHFFFAOYSA-N,"InChI=1S/C14H16N4/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCNCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-FJGGFYUBHLIODW_on_Q14833_WT,Low,ChEMBL30,CHEMBL568659,O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1c1n[nH]nn1,FJGGFYUBHLIODW,FJGGFYUBHLIODW-UHFFFAOYSA-N,"InChI=1S/C14H15Cl2N5O/c15-8-5-9(16)7-10(6-8)17-14(22)12-4-2-1-3-11(12)13-18-20-21-19-13/h5-7,11-12H,1-4H2,(H,17,22)(H,18,19,20,21)","""AuxInfo=1/1/N:15,14,16,13,8,5,11,6,9,4,17,12,18,2,7,10,3,19,22,20,21,1/E:(6,7)(8,9)(15,16)(18,19)(20,21)/rA:22OCNCCCClCCClCCCCCCCCNNNN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;s12;s13;s14;s15;s12s16;s17;d18;s19;s20;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FJLIIOCPJHAEGZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702458,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cc(C(F)(F)F)n[nH]1)ccc3,FJLIIOCPJHAEGZ,FJLIIOCPJHAEGZ-UHFFFAOYSA-N,"InChI=1S/C23H19F3N6O/c24-23(25,26)20-8-17(29-30-20)15-2-1-3-16-14(15)6-7-32-19(16)9-21(27-10-22(32)33)31-11-18(28-12-31)13-4-5-13/h1-3,8-9,11-13H,4-7,10H2,(H,29,30)","""AuxInfo=1/1/N:32,31,33,11,12,18,19,23,14,3,13,7,10,17,21,16,22,9,15,24,5,2,25,26,27,28,4,8,30,29,6,20,1/E:(4,5)(24,25,26)/rA:33OCCNCNCNCCCCCCCCCCCNCCCCCFFFNNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;s25;s25;s25;d24;s22s29;d21;s31;s16d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FJLMOGVUSSSKEC_on_O00591_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_O14764_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P14867_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P18505_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P18507_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P28472_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P31644_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P34903_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P47869_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P47870_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P48169_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_P78334_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_Q16445_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJLMOGVUSSSKEC_on_Q99928_WT,Low,ChEMBL30,CHEMBL154754,O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,FJLMOGVUSSSKEC,FJLMOGVUSSSKEC-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-7H,8H2","""AuxInfo=1/0/N:20,21,9,8,17,24,6,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,7,3/CRV:20.5/rA:24OCOCCCOCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-FJMUBIPCGBRIPD_on_P41594_WT,High,ChEMBL30,CHEMBL3644362,O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,FJMUBIPCGBRIPD,FJMUBIPCGBRIPD-UHFFFAOYSA-N,"InChI=1S/C20H18F2N4O/c21-20(22)16-10-25(11-24-16)18-8-17-15-3-1-2-13(12-4-5-12)14(15)6-7-26(17)19(27)9-23-18/h1-3,8,10-12,20H,4-7,9H2","""AuxInfo=1/0/N:26,25,27,23,24,18,19,14,3,13,7,22,21,17,16,9,15,5,2,10,11,12,4,8,6,20,1/E:(4,5)(21,22)/rA:27OCCNCNCNCCFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-FJMUBIPCGBRIPD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644362,O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,FJMUBIPCGBRIPD,FJMUBIPCGBRIPD-UHFFFAOYSA-N,"InChI=1S/C20H18F2N4O/c21-20(22)16-10-25(11-24-16)18-8-17-15-3-1-2-13(12-4-5-12)14(15)6-7-26(17)19(27)9-23-18/h1-3,8,10-12,20H,4-7,9H2","""AuxInfo=1/0/N:26,25,27,23,24,18,19,14,3,13,7,22,21,17,16,9,15,5,2,10,11,12,4,8,6,20,1/E:(4,5)(21,22)/rA:27OCCNCNCNCCFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-FJQSQWDWHRKSJP_on_P14867_WT,Low,ChEMBL30,CHEMBL1814300,C=CCc1cc(-c2cc(CC=C)c(OCCC)cc2)c(OC2CC2)cc1,FJQSQWDWHRKSJP,FJQSQWDWHRKSJP-UHFFFAOYSA-N,"InChI=1S/C24H28O2/c1-4-7-18-9-13-24(26-21-11-12-21)22(16-18)19-10-14-23(25-15-6-3)20(17-19)8-5-2/h4-5,9-10,13-14,16-17,21H,1-2,6-8,11-12,15H2,3H3","""AuxInfo=1/0/N:1,12,17,2,11,16,3,10,26,19,23,24,25,18,15,5,8,4,7,9,22,6,13,20,14,21/E:(11,12)/rA:26CCCCCCCCCCCCCOCCCCCCOCCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s15;s16;s13;s7d18;d6;s20;s21;s22;s22s23;s20;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-FJQSQWDWHRKSJP_on_P47870_WT,Low,ChEMBL30,CHEMBL1814300,C=CCc1cc(-c2cc(CC=C)c(OCCC)cc2)c(OC2CC2)cc1,FJQSQWDWHRKSJP,FJQSQWDWHRKSJP-UHFFFAOYSA-N,"InChI=1S/C24H28O2/c1-4-7-18-9-13-24(26-21-11-12-21)22(16-18)19-10-14-23(25-15-6-3)20(17-19)8-5-2/h4-5,9-10,13-14,16-17,21H,1-2,6-8,11-12,15H2,3H3","""AuxInfo=1/0/N:1,12,17,2,11,16,3,10,26,19,23,24,25,18,15,5,8,4,7,9,22,6,13,20,14,21/E:(11,12)/rA:26CCCCCCCCCCCCCOCCCCCCOCCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s15;s16;s13;s7d18;d6;s20;s21;s22;s22s23;s20;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-FJYOTWICDFMWGR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111531,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)F,FJYOTWICDFMWGR,FJYOTWICDFMWGR-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-13-9-17(10-14(2)26-13)21-19-7-8-30-15(3)12-28(19)23(27-21)16-5-6-18(22(24)25)20(11-16)29-4/h5-6,9-11,15,22H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,27,17,3,8,28,6,29,30,13,7,24,2,20/E:(1,2)(9,10)(13,14)(24,25)/rA:30COCCCCNCCCCCNCCCCCCOCCCNCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-FJYPFLTUEXXIGF_on_P41594_WT,Low,ChEMBL30,CHEMBL390391,CCc1ccc(-n2cnc3c(sc4c3c([N+](C)(C)[O-])ccn4)c2=O)cc1,FJYPFLTUEXXIGF,FJYPFLTUEXXIGF-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,26,5,25,20,21,8,3,6,15,14,10,11,13,23,22,9,7,16,24,19,12/E:(2,3)(5,6)(7,8)/CRV:23+1,25-1/rA:26CCCCCCNCNCCSCCCN+CCO-CCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s16;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FJYPFLTUEXXIGF_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL390391;11639210,CCc1ccc(-n2cnc3c(sc4c3c([N+](C)(C)[O-])ccn4)c2=O)cc1,FJYPFLTUEXXIGF,FJYPFLTUEXXIGF-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,26,5,25,20,21,8,3,6,15,14,10,11,13,23,22,9,7,16,24,19,12/E:(2,3)(5,6)(7,8)/CRV:23+1,25-1/rA:26CCCCCCNCNCCSCCCN+CCO-CCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s16;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  6.510;  6.514,6.5120000000000005,0.002,0.002,2.0,6.5120000000000005,0.002
-FJZVCFPYOULKEI_on_Q14416_WT,Low,ChEMBL30,CHEMBL1289762,NC(Cc1cnnn1C(Cc1ccccc1)C(=O)O)C(=O)O,FJZVCFPYOULKEI,FJZVCFPYOULKEI-UHFFFAOYSA-N,"InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-16-17-18(10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,10,3,5,11,4,2,9,20,17,1,6,7,8,21,22,18,19/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCCCNNNCCCCCCCCCOOCOO/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s17;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1292356,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FJZVCFPYOULKEI_on_Q14833_WT,Low,ChEMBL30,CHEMBL1289762,NC(Cc1cnnn1C(Cc1ccccc1)C(=O)O)C(=O)O,FJZVCFPYOULKEI,FJZVCFPYOULKEI-UHFFFAOYSA-N,"InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-16-17-18(10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,10,3,5,11,4,2,9,20,17,1,6,7,8,21,22,18,19/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCCCNNNCCCCCCCCCOOCOO/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s17;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1292357,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKAMTDPGIKKBTN_on_P41594_WT,High,ChEMBL30,CHEMBL2151491,Cc1cc(-c2noc(C3CN(C(=O)C4CCCO4)C3)n2)ccc1,FKAMTDPGIKKBTN,FKAMTDPGIKKBTN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-11-4-2-5-12(8-11)15-18-16(23-19-15)13-9-20(10-13)17(21)14-6-3-7-22-14/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3","""AuxInfo=1/0/N:1,22,16,23,21,15,17,3,10,19,2,4,9,14,5,8,12,20,6,11,13,18,7/E:(9,10)/rA:23CCCCCNOCCCNCOCCCCOCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s14s17;s9s11;s5d8;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-FKATWOUWYYENKU_on_P18507_WT,Low,ChEMBL30,CHEMBL1783262,CNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,FKATWOUWYYENKU,FKATWOUWYYENKU-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,18,13,21,20,22,15,14,19,16,9,23,10,11,24,8,5,3,25,2,7,6,4,17,12/rA:25CNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;s12;s11;d14;s15;s16;s17;s10d16;d9;s20;d21;s8s22;s5d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FKATWOUWYYENKU_on_P28472_WT,Low,ChEMBL30,CHEMBL1783262,CNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,FKATWOUWYYENKU,FKATWOUWYYENKU-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,18,13,21,20,22,15,14,19,16,9,23,10,11,24,8,5,3,25,2,7,6,4,17,12/rA:25CNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;s12;s11;d14;s15;s16;s17;s10d16;d9;s20;d21;s8s22;s5d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FKATWOUWYYENKU_on_P47869_WT,Low,ChEMBL30,CHEMBL1783262,CNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,FKATWOUWYYENKU,FKATWOUWYYENKU-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,18,13,21,20,22,15,14,19,16,9,23,10,11,24,8,5,3,25,2,7,6,4,17,12/rA:25CNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;s12;s11;d14;s15;s16;s17;s10d16;d9;s20;d21;s8s22;s5d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FKBFOZVCECJZFJ_on_O00591_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_O14764_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P14867_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P18505_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P18507_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P28472_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P31644_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P34903_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P47869_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P47870_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P48169_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_P78334_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKBFOZVCECJZFJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322881,CCc1c(N)ncc(C(=O)O)c1,FKBFOZVCECJZFJ,FKBFOZVCECJZFJ-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-6(8(11)12)4-10-7(5)9/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,7,3,8,4,9,5,6,10,11/E:(11,12)/rA:12CCCCNNCCCOOC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;s3d8;/rC:;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCGAOJXLFANNO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951659;16118120,Cc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,FKCGAOJXLFANNO,FKCGAOJXLFANNO-UHFFFAOYSA-N,"InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,8,19,7,2,5,9,14,13,10,12,21,20,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373;PubChemAID:645619,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645619,2012,1;0,0,0,0,0;1,,=,  5.920;  5.920,5.92,0.0,0.0,2.0,5.92,0.0
-FKCGAOJXLFANNO_on_Q13255_WT,High,ChEMBL30,CHEMBL1951659,Cc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,FKCGAOJXLFANNO,FKCGAOJXLFANNO-UHFFFAOYSA-N,"InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,8,19,7,2,5,9,14,13,10,12,21,20,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-FKCUPIYQJSBUPO_on_O00591_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_O14764_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P14867_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P18505_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P18507_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P28472_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P31644_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P34903_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P47869_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P47870_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P48169_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_P78334_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKCUPIYQJSBUPO_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322879,Nc1c(I)cc(C(=O)O)cn1,FKCUPIYQJSBUPO,FKCUPIYQJSBUPO-UHFFFAOYSA-N,"InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:5,10,6,3,2,7,4,1,11,8,9/E:(10,11)/rA:11NCCICCCOOCN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s6;s2d10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDIDCUKBIATHN_on_Q05586_WT,Low,ChEMBL30,CHEMBL596036,CS(=O)(=O)Nc1ccc(OCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1,FKDIDCUKBIATHN,FKDIDCUKBIATHN-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O4S/c1-28(25,26)21-13-2-5-15(6-3-13)27-11-10-22-8-9-23(18(22)24)14-4-7-16(19)17(20)12-14/h2-7,12,21H,8-11H2,1H3","""AuxInfo=1/0/N:1,7,28,18,8,27,19,14,15,12,11,24,6,17,9,20,22,25,21,23,5,13,16,26,3,4,10,2/E:(2,3)(5,6)(25,26)/CRV:28.6/rA:28CSOONCCCCOCCNCCNCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;s13s16;d25;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-FKDIDCUKBIATHN_on_Q13224_WT,Low,ChEMBL30,CHEMBL596036,CS(=O)(=O)Nc1ccc(OCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1,FKDIDCUKBIATHN,FKDIDCUKBIATHN-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O4S/c1-28(25,26)21-13-2-5-15(6-3-13)27-11-10-22-8-9-23(18(22)24)14-4-7-16(19)17(20)12-14/h2-7,12,21H,8-11H2,1H3","""AuxInfo=1/0/N:1,7,28,18,8,27,19,14,15,12,11,24,6,17,9,20,22,25,21,23,5,13,16,26,3,4,10,2/E:(2,3)(5,6)(25,26)/CRV:28.6/rA:28CSOONCCCCOCCNCCNCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;s13s16;d25;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-FKDUXSKMZDEBOH_on_O15399_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_O60391_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_Q05586_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_Q12879_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_Q13224_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKDUXSKMZDEBOH_on_Q14957_WT,Low,ChEMBL30,CHEMBL43875,Oc1nc2c(cc3OCOc3c2)nc1O,FKDUXSKMZDEBOH,FKDUXSKMZDEBOH-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-9(13)11-5-2-7-6(14-3-15-7)1-4(5)10-8/h1-2H,3H2,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:6,12,9,5,4,7,11,14,2,13,3,15,1,8,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCOCOCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FKHBHNWGBJHKGW_on_O00591_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_O14764_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P14867_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P18505_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P18507_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P28472_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P31644_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P34903_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P47869_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P47870_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P48169_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_P78334_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_Q16445_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBHNWGBJHKGW_on_Q99928_WT,Low,ChEMBL30,CHEMBL201232,CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1,FKHBHNWGBJHKGW,FKHBHNWGBJHKGW-UHFFFAOYSA-N,"InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,13,14,28,25,20,19,12,15,10,29,9,30,31,23,24,21,32,7,17,5,2,33,34,35,36,37,6,11,8,16,22,18/E:(1,2,3)(14,15)(16,17)(28,29,30)/rA:37CCCCCNCNCCNCCCCNCOCCCOCCCCCCCCCCCFFFN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s16d23;s24;d25;s26;s23d27;s11;s8s29;d7;s31;s32;s33;s33;s33;s5d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL853601,PMID:16271293,2006.0,PMID:16271293,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_O15399_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_O60391_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_Q05586_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_Q12879_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_Q13224_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHBXKAEVUTBRK_on_Q14957_WT,Low,ChEMBL30,CHEMBL282829,CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,FKHBXKAEVUTBRK,FKHBXKAEVUTBRK-UHFFFAOYSA-N,"InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FKHIQZWRXVXNQL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112898,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)c1,FKHIQZWRXVXNQL,FKHIQZWRXVXNQL-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(10-17(11-23)27-13)20-19-7-8-30-14(2)12-29(19)21(28-20)15-3-5-18(6-4-15)31-22(24,25)26/h3-6,9-10,14H,7-8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,15,20,29,21,28,11,12,31,7,5,16,2,14,19,8,4,22,10,9,18,24,6,25,26,27,3,30,17,13,23/E:(3,4)(5,6)(24,25,26)/rA:31CCNCCFCCCCCCOCCCNCCCCCOCFFFCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-FKKXVXRFCSBXMZ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337499,CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O,FKKXVXRFCSBXMZ,FKKXVXRFCSBXMZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O2/c1-14(2)8-10-20-11-9-17(16(12-19)18(20)21)22-13-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,4,8,5,7,19,11,2,12,18,9,21,20,6,22,10/E:(1,2)(4,5)(6,7)/rA:22CCCCCNCCCOCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d9;s18;t19;s6s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-FKMANXQNPAVCSS_on_P41594_WT,High,ChEMBL30,CHEMBL2151485,Cc1cc(-c2noc(C3CN(C(=O)C4CCC(C)CC4)C3)n2)ccc1,FKMANXQNPAVCSS,FKMANXQNPAVCSS-UHFFFAOYSA-N,"InChI=1S/C20H25N3O2/c1-13-6-8-15(9-7-13)20(24)23-11-17(12-23)19-21-18(22-25-19)16-5-3-4-14(2)10-16/h3-5,10,13,15,17H,6-9,11-12H2,1-2H3","""AuxInfo=1/0/N:18,1,24,25,23,16,19,15,20,3,10,21,17,2,14,4,9,5,8,12,22,6,11,13,7/E:(6,7)(8,9)(11,12)/rA:25CCCCCNOCCCNCOCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s17;s14s19;s9s11;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-FKNJDTXOOMHZMJ_on_O00222_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1786301,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKNJDTXOOMHZMJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005;CHEMBL1786293,PMID:19443219,2009.0,PMID:19443219,2009,1;0,0,0,0;1,0,,=,  6.090;  6.080,6.085,0.005,0.005,2.0,6.085,0.005
-FKNJDTXOOMHZMJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786296,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKNJDTXOOMHZMJ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1786297,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKNJDTXOOMHZMJ_on_Q14831_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1786300,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKNJDTXOOMHZMJ_on_Q14832_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1786298,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKNJDTXOOMHZMJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1783985,O=C(C1CCC1)N1CCCC2(CCCCC2)C1,FKNJDTXOOMHZMJ,FKNJDTXOOMHZMJ-UHFFFAOYSA-N,"InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","""AuxInfo=1/0/N:14,13,15,5,9,4,6,12,16,10,8,17,3,2,11,7,1/E:(2,3)(6,7)(8,9)/rA:17OCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s7s11;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1786299,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FKQDFIOIDWQKRT_on_Q14416_WT,Low,ChEMBL30,CHEMBL3421841,Cc1nccc(-c2c3C(=O)N(c4ccc(C(C)O)cc4)CC(C)n3nc2)c1,FKQDFIOIDWQKRT,FKQDFIOIDWQKRT-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-13-10-17(8-9-22-13)19-11-23-25-14(2)12-24(21(27)20(19)25)18-6-4-16(5-7-18)15(3)26/h4-11,14-15,26H,12H2,1-3H3","""AuxInfo=1/0/N:1,23,17,14,19,13,20,5,4,27,26,21,2,22,16,15,6,12,7,8,9,3,25,11,24,18,10/E:(4,5)(6,7)/rA:27CCNCCCCCCONCCCCCCOCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s11;s21;s22;s8s22;s24;s7d25;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3424504,PMID:25699154,2015.0,PMID:25699154,2015,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-FKRRGAJQEMJONC_on_P14867_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-FKRRGAJQEMJONC_on_P18507_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273618;CHEMBL1273619;CHEMBL1273616;CHEMBL1273615;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  6.000;  6.000;  6.000;  7.470;  5.520,6.165,0.609,0.273,6.0,6.0,0.0
-FKRRGAJQEMJONC_on_P28472_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273618;CHEMBL1273616;CHEMBL1273615;CHEMBL1273617;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  6.000;  6.000;  7.470;  6.000;  5.520,6.165,0.609,0.273,6.0,6.0,0.0
-FKRRGAJQEMJONC_on_P31644_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FKRRGAJQEMJONC_on_P34903_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FKRRGAJQEMJONC_on_P47869_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FKRRGAJQEMJONC_on_P48169_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FKRRGAJQEMJONC_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270841,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1,FKRRGAJQEMJONC,FKRRGAJQEMJONC-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3","""AuxInfo=1/0/N:1,22,21,23,14,15,20,24,13,16,18,8,2,19,12,17,11,6,9,4,7,10,5,3/E:(3,4)(7,8)/rA:24CCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-FKVLPIOPJSASLK_on_P41594_WT,High,ChEMBL30,CHEMBL204392,Cc1cc(NC(=O)NC2=NC(=O)CN2C)ccc1,FKVLPIOPJSASLK,FKVLPIOPJSASLK-UHFFFAOYSA-N,"InChI=1S/C12H14N4O2/c1-8-4-3-5-9(6-8)13-12(18)15-11-14-10(17)7-16(11)2/h3-6H,7H2,1-2H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:1,15,17,18,16,3,13,2,4,11,9,6,5,10,8,14,12,7/rA:18CCCCNCONCNCOCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;w?9;s10;d11;s11;s9s13;s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-FLAXKHHWJTYRJK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71456664;CHEMBL2153785,Cc1c[nH]c(NC(=O)c2c3[nH]ccc3cc(C)n2)n1,FLAXKHHWJTYRJK,FLAXKHHWJTYRJK-UHFFFAOYSA-N,"InChI=1S/C13H13N5O/c1-7-5-9-3-4-14-10(9)11(16-7)12(19)18-13-15-6-8(2)17-13/h3-6,14H,1-2H3,(H2,15,17,18,19)","""AuxInfo=1/1/N:17,1,13,12,15,3,16,2,14,10,9,7,5,11,4,18,19,6,8/rA:19CCCNCNCOCCNCCCCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d12;s10s13;d14;s15;s16;s9d16;s2d5;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:690762;CHEMBL2156622,PMID:22963764,2012.0,PubChemAID:690762;PMID:22963764,2013;2012,0;1,0,0,0,1;0,,=,  6.523;  6.520,6.521,0.002,0.002,2.0,6.521,0.002
-FLCVJBOJFYGFGM_on_Q13224_WT,High,ChEMBL30,CHEMBL4169479,OC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1,FLCVJBOJFYGFGM,FLCVJBOJFYGFGM-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c27-23-18-19-6-4-5-9-22(19)24(28-23)12-10-21(11-13-24)26-16-14-25(15-17-26)20-7-2-1-3-8-20/h4-6,9,20-21,23,27H,1-3,7-8,10-18H2","""AuxInfo=1/0/N:21,20,22,8,7,9,19,23,6,12,26,11,27,16,24,15,25,3,4,18,13,5,2,10,17,14,1,28/E:(2,3)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:28OCCCCCCCCCCCCNCCNCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s17;s14s24;s13;s10s26;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4158754,PMID:30350997,2018.0,PMID:30350997,2018,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-FLEQTIDRWGGTRR_on_P14867_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FLEQTIDRWGGTRR_on_P18507_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.510;  8.030;  8.030;  8.110,7.92,0.239,0.138,4.0,8.03,0.04
-FLEQTIDRWGGTRR_on_P28472_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.030;  8.030;  7.510;  8.110,7.92,0.239,0.138,4.0,8.03,0.04
-FLEQTIDRWGGTRR_on_P31644_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-FLEQTIDRWGGTRR_on_P34903_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-FLEQTIDRWGGTRR_on_P47869_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FLEQTIDRWGGTRR_on_Q16445_WT,Low,ChEMBL30,CHEMBL368768,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2,FLEQTIDRWGGTRR,FLEQTIDRWGGTRR-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,20,5,8,18,14,15,3,7,19,6,2,4/E:(3,4)(5,6)/rA:20CNCOCNCCCCCCCCCCCCBrC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FLHDXOQHAPPNKO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3935350,CN1C(=O)N(c2ccc(C#Cc3ccnnc3)cn2)CC1(C)C,FLHDXOQHAPPNKO,FLHDXOQHAPPNKO-UHFFFAOYSA-N,"InChI=1S/C17H17N5O/c1-17(2)12-22(16(23)21(17)3)15-7-6-13(10-18-15)4-5-14-8-9-19-20-11-14/h6-11H,12H2,1-3H3","""AuxInfo=1/0/N:22,23,1,10,11,8,7,13,14,18,17,20,9,12,6,3,21,19,15,16,2,5,4/E:(1,2)/rA:23CNCONCCCCCCCCCNNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-FLHMDOLVDVKPGZ_on_P41594_WT,Low,ChEMBL30,CHEMBL1783984,O=C(C1CCCC1)N1CCCC2(CCCCC2)C1,FLHMDOLVDVKPGZ,FLHMDOLVDVKPGZ-UHFFFAOYSA-N,"InChI=1S/C16H27NO/c18-15(14-7-2-3-8-14)17-12-6-11-16(13-17)9-4-1-5-10-16/h14H,1-13H2","""AuxInfo=1/0/N:15,5,6,14,16,10,4,7,13,17,11,9,18,3,2,12,8,1/E:(2,3)(4,5)(7,8)(9,10)/rA:18OCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FLHRNVLCKMTQAP_on_O00591_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_O14764_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P14867_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P18505_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P18507_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P28472_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P31644_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P34903_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P47869_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P47870_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P48169_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_P78334_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_Q16445_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLHRNVLCKMTQAP_on_Q99928_WT,Low,ChEMBL30,CHEMBL193141,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,FLHRNVLCKMTQAP,FLHRNVLCKMTQAP-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FLKBCMZWAVANDI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930631,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1,FLKBCMZWAVANDI,FLKBCMZWAVANDI-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O/c22-16-4-2-15(3-5-16)18-12-20(21(23)27)25-19-11-14(1-6-17(18)19)13-26-9-7-24-8-10-26/h1-6,11-12,24H,7-10,13H2,(H2,23,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,23,20,24,25,5,18,17,7,10,14,6,26,4,2,11,1,22,27,19,3/E:(2,3)(4,5)(7,8)(9,10)/rA:27NCOCCCCCCCFCCCCCCCNCCNCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-FLKQUNHLOZRYND_on_P41594_WT,High,ChEMBL30,CHEMBL3735704,Fc1ccc(-c2noc(C3CCc4c(C3)nnn4-c3ccc(F)cc3)n2)cc1,FLKQUNHLOZRYND,FLKQUNHLOZRYND-UHFFFAOYSA-N,"InChI=1S/C20H15F2N5O/c21-14-4-1-12(2-5-14)19-23-20(28-25-19)13-3-10-18-17(11-13)24-26-27(18)16-8-6-15(22)7-9-16/h1-2,4-9,13H,3,10-11H2","""AuxInfo=1/0/N:4,27,11,3,28,21,24,20,25,12,15,5,10,2,22,19,14,13,6,9,1,23,26,16,7,17,18,8/E:(1,2)(4,5)(6,7)(8,9)/rA:28FCCCCCNOCCCCCCCNNNCCCCFCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s10s14;s14;d16;s13s17;s18;d19;s20;d21;s22;s22;s19d24;s6d9;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-FLLXXCAWNYHLLR_on_P14867_WT,Low,ChEMBL30,CHEMBL2315222,NCc1cn(O)nc1-c1ccccc1,FLLXXCAWNYHLLR,FLLXXCAWNYHLLR-UHFFFAOYSA-N,"InChI=1S/C10H11N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H,6,11H2","""AuxInfo=1/0/N:12,11,13,10,14,2,4,9,3,8,1,7,5,6/E:(2,3)(4,5)/rA:14NCCCNONCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-FLLXXCAWNYHLLR_on_P18507_WT,Low,ChEMBL30,CHEMBL2315222,NCc1cn(O)nc1-c1ccccc1,FLLXXCAWNYHLLR,FLLXXCAWNYHLLR-UHFFFAOYSA-N,"InChI=1S/C10H11N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H,6,11H2","""AuxInfo=1/0/N:12,11,13,10,14,2,4,9,3,8,1,7,5,6/E:(2,3)(4,5)/rA:14NCCCNONCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-FLLXXCAWNYHLLR_on_P47870_WT,Low,ChEMBL30,CHEMBL2315222,NCc1cn(O)nc1-c1ccccc1,FLLXXCAWNYHLLR,FLLXXCAWNYHLLR-UHFFFAOYSA-N,"InChI=1S/C10H11N3O/c11-6-9-7-13(14)12-10(9)8-4-2-1-3-5-8/h1-5,7,14H,6,11H2","""AuxInfo=1/0/N:12,11,13,10,14,2,4,9,3,8,1,7,5,6/E:(2,3)(4,5)/rA:14NCCCNONCCCCCCC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-FLOPCMQLMGWNCD_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403583;71713765,O=C(N1CCC(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,FLOPCMQLMGWNCD,FLOPCMQLMGWNCD-UHFFFAOYSA-N,"InChI=1S/C20H20FN3OS/c21-16-8-11-23(12-9-16)20(25)24-13-10-17-18(14-24)26-19(22-17)7-6-15-4-2-1-3-5-15/h1-5,16H,8-14H2","""AuxInfo=1/0/N:23,22,24,21,25,19,18,5,8,12,4,9,11,15,20,6,13,14,17,2,7,26,3,10,1,16/E:(2,3)(4,5)(8,9)(11,12)/rA:26OCNCCCFCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s6;s3s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.130;  7.131,7.13,0.001,0.001,2.0,7.13,0.001
-FLQKGFWFUSDDFD_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,57881818;CHEMBL2205374,COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1F,FLQKGFWFUSDDFD,FLQKGFWFUSDDFD-UHFFFAOYSA-N,"InChI=1S/C18H14FN5O2S/c1-26-12-5-4-10(6-11(12)19)24-8-22-14-13-16(23-9-2-3-9)20-7-21-17(13)27-15(14)18(24)25/h4-9H,2-3H2,1H3,(H,20,21,23)","""AuxInfo=1/1/N:1,18,19,5,4,25,21,8,17,6,26,3,14,10,11,15,13,23,27,20,22,9,16,7,24,2,12/E:(2,3)/rA:27COCCCCNCNCCSCCCNCCCNCNCOCCF/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-FLTOAJWVMNMXMX_on_P14867_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-FLTOAJWVMNMXMX_on_P18507_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.060;  9.080;  7.570;  8.440,8.287,0.552,0.319,4.0,8.25,0.435
-FLTOAJWVMNMXMX_on_P28472_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.440;  9.080;  8.060;  7.570,8.288,0.552,0.319,4.0,8.25,0.435
-FLTOAJWVMNMXMX_on_P31644_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.080,9.08,0.0,0.0,1.0,9.08,0.0
-FLTOAJWVMNMXMX_on_P34903_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-FLTOAJWVMNMXMX_on_P47869_WT,Low,ChEMBL30,CHEMBL369035,Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,FLTOAJWVMNMXMX,FLTOAJWVMNMXMX-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3","""AuxInfo=1/0/N:6,1,17,16,18,15,19,4,3,27,29,26,30,8,5,2,28,25,14,7,23,24,13,22,10,31,20,21,11,12,9/E:(4,5)(6,7)(10,11)(12,13)/rA:31CCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-FMAJVYNCYIOPMK_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL218067;9858476,O=C(OCc1ccccc1)N1CCC(CNc2cnccc2)CC1,FMAJVYNCYIOPMK,FMAJVYNCYIOPMK-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2","""AuxInfo=1/0/N:8,7,9,21,6,10,22,13,23,20,12,24,15,18,4,14,5,17,2,19,16,11,1,3/E:(2,3)(5,6)(8,9)(11,12)/rA:24OCOCCCCCCCNCCCCNCCNCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  6.750;  6.745,6.747999999999999,0.003,0.003,2.0,6.747999999999999,0.002
-FMCMZGOWUATYFJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681590,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccncn2)no1,FMCMZGOWUATYFJ,FMCMZGOWUATYFJ-UHFFFAOYSA-N,"InChI=1S/C18H19N5O3/c1-11(2)22-18(24)13-4-5-16(20-8-13)25-9-14-12(3)26-23-17(14)15-6-7-19-10-21-15/h4-8,10-11H,9H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,8,7,20,21,16,4,23,13,2,9,3,19,6,18,10,22,17,24,12,25,11,5,26/E:(1,2)/rA:26CCCCOCCCCCONCCCCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-FMFOJRFCJXRDIA_on_P41594_WT,High,ChEMBL30,CHEMBL2151479,Cc1cccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)c1,FMFOJRFCJXRDIA,FMFOJRFCJXRDIA-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O3S/c1-12-4-2-7-16(8-12)26(23,24)22-10-14(11-22)18-20-17(21-25-18)13-5-3-6-15(19)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,4,18,3,17,19,5,26,22,11,25,2,16,12,20,6,15,13,21,14,23,10,8,9,24,7/E:(10,11)(23,24)/CRV:26.6/rA:26CCCCCCSOONCCCNCCCCCCClCNOCC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-FMKKDJPXKXYYAG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3980863;CHEMBL4111831;CHEMBL3925891,CN1C(=O)C(c2ccc(C#Cc3ccnc(Cl)c3)cn2)CC1(C)C,FMKKDJPXKXYYAG,FMKKDJPXKXYYAG-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O/c1-19(2)11-15(18(24)23(19)3)16-7-6-14(12-22-16)5-4-13-8-9-21-17(20)10-13/h6-10,12,15H,11H2,1-3H3","""AuxInfo=1/0/N:23,24,1,11,10,8,7,13,14,18,21,19,12,9,5,6,16,3,22,17,15,20,2,4/E:(1,2)/rA:24CNCOCCCCCCCCCCNCClCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.060;  6.990;  7.190,7.08,0.083,0.059000000000000004,3.0,7.06,0.07
-FMLVTOVZPUQQCF_on_P18507_WT,Low,ChEMBL30,CHEMBL199138,CCNc1nncc(-c2cccc(C#N)c2)c1,FMLVTOVZPUQQCF,FMLVTOVZPUQQCF-UHFFFAOYSA-N,"InChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,3,6,5/rA:17CCNCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.480;  7.100,7.29,0.19,0.19,2.0,7.29,0.19
-FMLVTOVZPUQQCF_on_P28472_WT,Low,ChEMBL30,CHEMBL199138,CCNc1nncc(-c2cccc(C#N)c2)c1,FMLVTOVZPUQQCF,FMLVTOVZPUQQCF-UHFFFAOYSA-N,"InChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,3,6,5/rA:17CCNCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.480;  7.100,7.29,0.19,0.19,2.0,7.29,0.19
-FMLVTOVZPUQQCF_on_P31644_WT,Low,ChEMBL30,CHEMBL199138,CCNc1nncc(-c2cccc(C#N)c2)c1,FMLVTOVZPUQQCF,FMLVTOVZPUQQCF-UHFFFAOYSA-N,"InChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,3,6,5/rA:17CCNCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-FMLVTOVZPUQQCF_on_P34903_WT,Low,ChEMBL30,CHEMBL199138,CCNc1nncc(-c2cccc(C#N)c2)c1,FMLVTOVZPUQQCF,FMLVTOVZPUQQCF-UHFFFAOYSA-N,"InChI=1S/C13H12N4/c1-2-15-13-7-12(9-16-17-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,3,6,5/rA:17CCNCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FMUAFDSEYCJYKD_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3298273;57405264,O=C1NCCc2c1ccc(OCc1cc(F)ccc1)n2,FMUAFDSEYCJYKD,FMUAFDSEYCJYKD-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)","""AuxInfo=1/1/N:18,19,17,8,9,5,4,14,12,13,15,7,6,10,2,16,3,20,1,11/rA:20OCNCCCCCCCOCCCCFCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3379143;PubChemAID:1158706,PMID:24914612,2014.0,PMID:24914612;PubChemAID:1158706,2014;2015,0,1;0,0,0,0;1,,=,  6.430;  6.432,6.431,0.001,0.001,2.0,6.431,0.001
-FMZDCCDDGYJQFK_on_P41594_WT,Low,ChEMBL30,CHEMBL434188,O=C(Nc1nc(C#Cc2cnccc2)cs1)Nc1ccc(F)cc1F,FMZDCCDDGYJQFK,FMZDCCDDGYJQFK-UHFFFAOYSA-N,"InChI=1S/C17H10F2N4OS/c18-12-4-6-15(14(19)8-12)22-16(24)23-17-21-13(10-25-17)5-3-11-2-1-7-20-9-11/h1-2,4,6-10H,(H2,21,22,23,24)","""AuxInfo=1/1/N:13,14,8,20,7,19,12,23,10,15,9,21,6,24,18,2,4,22,25,11,5,17,3,1,16/rA:25OCNCNCCCCCNCCCCSNCCCCFCCF/rB:d1;s2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;d6;s4s15;s2;s17;d18;s19;d20;s21;s21;s18d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FNCCIRFBYGUBRQ_on_P14867_WT,Low,ChEMBL30,CHEMBL202696,Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,FNCCIRFBYGUBRQ,FNCCIRFBYGUBRQ-UHFFFAOYSA-N,"InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,8,9,3,4,21,19,22,7,18,13,12,10,6,24,25,11,20,23,2,5,26/rA:26CNCCNCCCCCFCCCCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;t19;s7d12;d6;s22;s5d23;s2s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-FNCCIRFBYGUBRQ_on_P18507_WT,Low,ChEMBL30,CHEMBL202696,Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,FNCCIRFBYGUBRQ,FNCCIRFBYGUBRQ-UHFFFAOYSA-N,"InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,8,9,3,4,21,19,22,7,18,13,12,10,6,24,25,11,20,23,2,5,26/rA:26CNCCNCCCCCFCCCCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;t19;s7d12;d6;s22;s5d23;s2s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869459;CHEMBL869461;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.280; 10.000;  9.150,9.477,0.374,0.264,3.0,9.28,0.13
-FNCCIRFBYGUBRQ_on_P28472_WT,Low,ChEMBL30,CHEMBL202696,Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,FNCCIRFBYGUBRQ,FNCCIRFBYGUBRQ-UHFFFAOYSA-N,"InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,8,9,3,4,21,19,22,7,18,13,12,10,6,24,25,11,20,23,2,5,26/rA:26CNCCNCCCCCFCCCCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;t19;s7d12;d6;s22;s5d23;s2s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869461;CHEMBL869460;CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=, 10.000;  9.150;  9.280,9.477,0.374,0.264,3.0,9.28,0.13
-FNCCIRFBYGUBRQ_on_P31644_WT,Low,ChEMBL30,CHEMBL202696,Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,FNCCIRFBYGUBRQ,FNCCIRFBYGUBRQ-UHFFFAOYSA-N,"InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,8,9,3,4,21,19,22,7,18,13,12,10,6,24,25,11,20,23,2,5,26/rA:26CNCCNCCCCCFCCCCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;t19;s7d12;d6;s22;s5d23;s2s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-FNCCIRFBYGUBRQ_on_P34903_WT,Low,ChEMBL30,CHEMBL202696,Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O,FNCCIRFBYGUBRQ,FNCCIRFBYGUBRQ-UHFFFAOYSA-N,"InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,8,9,3,4,21,19,22,7,18,13,12,10,6,24,25,11,20,23,2,5,26/rA:26CNCCNCCCCCFCCCCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;t19;s7d12;d6;s22;s5d23;s2s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-FNGGVFCXCCMXGS_on_P41594_WT,High,ChEMBL30,CHEMBL3601908,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCCC3)cn2)cn1,FNGGVFCXCCMXGS,FNGGVFCXCCMXGS-UHFFFAOYSA-N,"InChI=1S/C21H22ClN5OS/c1-13-6-7-16(12-24-13)26-19-17(22)10-15(11-25-19)18(14-4-2-3-5-14)27-20(28)21-23-8-9-29-21/h6-12,14,18H,2-5H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,23,24,22,25,3,4,18,19,10,26,28,2,21,11,5,8,12,7,14,16,9,17,29,27,6,13,15,20/E:(2,3)(4,5)/rA:29CCCCCNCCClCCCNCOCNCCSCCCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s22;s23;s21s24;s11;s7d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-FNGISJJLCIGHAR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960294,CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,FNGISJJLCIGHAR,FNGISJJLCIGHAR-UHFFFAOYSA-N,"InChI=1S/C21H19FN4O2/c1-25-8-9-26(21(25)28)12-13-2-7-16-17(14-3-5-15(22)6-4-14)11-19(20(23)27)24-18(16)10-13/h2-7,10-11H,8-9,12H2,1H3,(H2,23,27)","""AuxInfo=1/1/N:1,8,13,18,14,17,9,3,4,26,19,6,7,12,15,10,11,25,20,21,27,16,22,24,2,5,23,28/E:(3,4)(5,6)/rA:28CNCCNCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;s2s5;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-FNJCCCJSAKHEBN_on_P41594_WT,High,ChEMBL30,CHEMBL3605292,Cn1cc(C(=O)N2CCc3c(C2)oc(COc2ccccc2)n3)c2c1cccc2,FNJCCCJSAKHEBN,FNJCCCJSAKHEBN-UHFFFAOYSA-N,"InChI=1S/C23H21N3O3/c1-25-13-18(17-9-5-6-10-20(17)25)23(27)26-12-11-19-21(14-26)29-22(24-19)15-28-16-7-3-2-4-8-16/h2-10,13H,11-12,14-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,28,27,18,22,29,26,9,8,3,12,15,17,24,4,10,25,11,14,5,23,2,7,6,16,13/E:(3,4)(7,8)/rA:29CNCCCONCCCCCOCCOCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s4;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.530;  6.540,6.535,0.005,0.005,2.0,6.535,0.005
-FNJYOMDCMQQEKH_on_P41594_WT,Low,ChEMBL30,CHEMBL3655610,O=C(Nc1nc(Oc2ccc(C(F)(F)F)nc2)ccc1)c1cccc(Cl)c1,FNJYOMDCMQQEKH,FNJYOMDCMQQEKH-UHFFFAOYSA-N,"InChI=1S/C18H11ClF3N3O2/c19-12-4-1-3-11(9-12)17(26)25-15-5-2-6-16(24-15)27-13-7-8-14(23-10-13)18(20,21)22/h1-10H,(H,24,25,26)","""AuxInfo=1/1/N:23,19,22,24,20,18,9,10,27,17,21,25,8,11,4,6,2,12,26,13,14,15,16,5,3,1,7/E:(20,21,22)/rA:27OCNCNCOCCCCCFFFNCCCCCCCCCClC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s12;s12;s11;s8d16;d6;s18;s4d19;s2;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FNLIOTQQBGWBIR_on_P41594_WT,Low,ChEMBL30,CHEMBL3655601,Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1,FNLIOTQQBGWBIR,FNLIOTQQBGWBIR-UHFFFAOYSA-N,"InChI=1S/C18H13F3N4O2/c1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21/h2-10H,1H3,(H,24,25,26)","""AuxInfo=1/1/N:1,4,3,5,17,18,27,25,11,13,2,6,16,19,10,14,7,20,21,22,23,12,24,26,9,8,15/E:(19,20,21)/rA:27CCCCCCCONCCNCCOCCCCCFFFNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FNLRSUUOKIOXRC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971450,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cnc(C#N)nc2)c3)cc1,FNLRSUUOKIOXRC,FNLRSUUOKIOXRC-UHFFFAOYSA-N,"InChI=1S/C25H21N5O2/c1-15(9-16-13-28-24(12-26)29-14-16)18-5-8-20-21(17-3-6-19(32-2)7-4-17)11-23(25(27)31)30-22(20)10-18/h3-8,10-11,13-15H,9H2,1-2H3,(H2,27,31)","""AuxInfo=1/1/N:20,1,5,31,17,4,32,16,21,30,8,26,23,29,19,22,6,18,3,15,7,14,9,25,10,27,11,24,28,13,12,2/E:(3,4)(6,7)(13,14)(28,29)/rA:32COCCCCCCCCNONCCCCCCCCCCNCCNNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;t26;s25;s22d28;s14d18;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FNNPSIGQQWCKKB_on_O00591_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_O14764_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_P14867_WT,Medium,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-FNNPSIGQQWCKKB_on_P18505_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_P18507_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL678329;CHEMBL681248;CHEMBL1273620;CHEMBL1273617;CHEMBL682251;CHEMBL1273616;CHEMBL824295;CHEMBL822162;CHEMBL681480;CHEMBL650075;CHEMBL685337;CHEMBL1273615,PMID:9435905,1997.0,PMID:20888240;PMID:10633039;PMID:10633039;PMID:20888240;PMID:20888240;PMID:10633039;PMID:20888240;PMID:9651158;PMID:9651158;PMID:10633039;PMID:9435905;PMID:9651158;PMID:20888240,2010;2000;2000;2010;2010;2000;2010;1998;1998;2000;1997;1998;2010,0;0;0;0;0;0;0;0;0;0;1;0;0,0,0,1;1;1;1;1;1;1;1;1;1;0;1;1,0,,=,  6.080;  8.190;  7.600;  6.000;  7.550;  7.550;  7.600;  7.600;  8.190;  6.080;  7.620;  6.060;  8.190,7.255,0.8340000000000001,0.24100000000000002,13.0,7.6,0.59
-FNNPSIGQQWCKKB_on_P28472_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273615;CHEMBL1273617;CHEMBL681480;CHEMBL681248;CHEMBL678329;CHEMBL822162;CHEMBL824295;CHEMBL650075;CHEMBL685337;CHEMBL1273619;CHEMBL682251;CHEMBL1273616,PMID:9435905,1997.0,PMID:20888240;PMID:20888240;PMID:20888240;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9435905;PMID:9651158;PMID:20888240;PMID:10633039;PMID:20888240,2010;2010;2010;2000;2000;2000;1998;1998;1997;1998;2010;2000;2010,0;0;0;0;0;0;0;0;1;0;0;0;0,0,0,1;1;1;1;1;1;1;1;0;1;1;1;1,0,,=,  6.000;  8.190;  7.550;  6.080;  7.600;  8.190;  8.190;  7.600;  7.620;  6.060;  6.080;  7.550;  7.600,7.255,0.8340000000000001,0.24100000000000002,13.0,7.6,0.59
-FNNPSIGQQWCKKB_on_P31644_WT,Medium,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-FNNPSIGQQWCKKB_on_P34903_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL682251;CHEMBL1273617,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:20888240,1997;2000;2010,1;0;0,0,0,0;1;1,0,,=,  7.620;  7.550;  7.550,7.5729999999999995,0.033,0.023,3.0,7.55,0.0
-FNNPSIGQQWCKKB_on_P47869_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616;CHEMBL650075;CHEMBL824295;CHEMBL681248,PMID:9435905,1997.0,PMID:20888240;PMID:9435905;PMID:9651158;PMID:10633039,2010;1997;1998;2000,0;1;0;0,0,0,1;0;1;1,0,,=,  7.600;  7.620;  7.600;  7.600,7.605,0.009000000000000001,0.005,4.0,7.6,0.0
-FNNPSIGQQWCKKB_on_P47870_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_P48169_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_P78334_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNNPSIGQQWCKKB_on_Q16445_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075;CHEMBL1273620,PMID:9435905,1997.0,PMID:9435905;PMID:20888240,1997;2010,1;0,0,0,0;1,0,,=,  7.620;  6.000,6.81,0.81,0.81,2.0,6.81,0.81
-FNNPSIGQQWCKKB_on_Q99928_WT,Low,ChEMBL30,CHEMBL299250,CCOc1ncc2[nH]c3c(cccc3)c2c1,FNNPSIGQQWCKKB,FNNPSIGQQWCKKB-UHFFFAOYSA-N,"InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,14,16,6,10,15,9,7,4,5,8,3/rA:16CCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-FNRNPGFYFBMGEO_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760303,CCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1,FNRNPGFYFBMGEO,FNRNPGFYFBMGEO-UHFFFAOYSA-N,"InChI=1S/C21H33NO/c1-2-3-18-23-20-12-10-19(11-13-20)21(14-6-4-7-15-21)22-16-8-5-9-17-22/h10-13H,2-9,14-18H2,1H3","""AuxInfo=1/0/N:1,2,3,19,14,18,20,13,15,8,22,7,23,17,21,12,16,4,9,6,10,11,5/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:23CCCCOCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s11s15;s10;s17;s18;s19;s10s20;s9;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-FNRNPGFYFBMGEO_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760303,CCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1,FNRNPGFYFBMGEO,FNRNPGFYFBMGEO-UHFFFAOYSA-N,"InChI=1S/C21H33NO/c1-2-3-18-23-20-12-10-19(11-13-20)21(14-6-4-7-15-21)22-16-8-5-9-17-22/h10-13H,2-9,14-18H2,1H3","""AuxInfo=1/0/N:1,2,3,19,14,18,20,13,15,8,22,7,23,17,21,12,16,4,9,6,10,11,5/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:23CCCCOCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s11s15;s10;s17;s18;s19;s10s20;s9;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-FNUTVRCUEQPYCW_on_P41594_WT,High,ChEMBL30,CHEMBL3600430,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cnc(C)nc2)nc1,FNUTVRCUEQPYCW,FNUTVRCUEQPYCW-UHFFFAOYSA-N,"InChI=1S/C18H19ClN6OS/c1-3-4-15(25-17(26)18-20-5-6-27-18)12-7-14(19)16(23-8-12)24-13-9-21-11(2)22-10-13/h5-10,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,10,11,14,27,20,25,22,13,19,15,4,17,6,8,16,9,21,24,26,18,5,7,12/E:(9,10)(21,22)/rA:27CCCCNCOCNCCSCCCClCNCCNCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-FNYSJYOTGKRVBK_on_P41594_WT,Medium,ChEMBL30,CHEMBL332396,Cc1cncc(C#Cc2csc(C)n2)c1,FNYSJYOTGKRVBK,FNYSJYOTGKRVBK-UHFFFAOYSA-N,"InChI=1S/C12H10N2S/c1-9-5-11(7-13-6-9)3-4-12-8-15-10(2)14-12/h5-8H,1-2H3","""AuxInfo=1/0/N:1,13,7,8,15,3,5,10,2,12,6,9,4,14,11/rA:15CCCNCCCCCCSCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;s12;s9d12;s2d6;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL823384,PMID:12565928,2003.0,PMID:12565928,2003,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-FNYYDEXITVMRHZ_on_O15399_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_O60391_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNYYDEXITVMRHZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL290321,Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,FNYYDEXITVMRHZ,FNYYDEXITVMRHZ-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-18-16-10-5-11-21-19(16)22-20(24)17(18)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H2,21,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,7,25,18,22,23,6,8,14,13,17,15,5,12,10,4,2,9,3,11,1,16/E:(2,3)(7,8)/rA:25OCNCCCCCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-FNZFELZOBRBQJY_on_O00591_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_O14764_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P14867_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P18505_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P18507_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P28472_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P31644_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P34903_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P47869_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P47870_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P48169_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_P78334_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_Q16445_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FNZFELZOBRBQJY_on_Q99928_WT,Low,ChEMBL30,CHEMBL181760,COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,FNZFELZOBRBQJY,FNZFELZOBRBQJY-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-13-5-4-9(6-14(13)29-2)15-17(25)27(26-18(15)30-3)16-11(20)7-10(8-12(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,6,28,29,30,7,16,22,8,17,14,23,3,4,9,13,10,26,18,15,24,19,20,21,11,25,12,2,5,27/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30COCCOCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FOAQSAOIBZTITH_on_Q14416_WT,Low,ChEMBL30,CHEMBL1288410,NC(Cn1cc(C(=O)O)nn1)C(=O)O,FOAQSAOIBZTITH,FOAQSAOIBZTITH-UHFFFAOYSA-N,"InChI=1S/C6H8N4O4/c7-3(5(11)12)1-10-2-4(6(13)14)8-9-10/h2-3H,1,7H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,5,2,6,12,7,1,10,11,4,13,14,8,9/E:(11,12)(13,14)/rA:14NCCNCCCOONNCOO/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;s4d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1292356,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FOAQSAOIBZTITH_on_Q14833_WT,Low,ChEMBL30,CHEMBL1288410,NC(Cn1cc(C(=O)O)nn1)C(=O)O,FOAQSAOIBZTITH,FOAQSAOIBZTITH-UHFFFAOYSA-N,"InChI=1S/C6H8N4O4/c7-3(5(11)12)1-10-2-4(6(13)14)8-9-10/h2-3H,1,7H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,5,2,6,12,7,1,10,11,4,13,14,8,9/E:(11,12)(13,14)/rA:14NCCNCCCOONNCOO/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;s4d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1292357,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FOBUWPBEGIITGQ_on_P41594_WT,High,ChEMBL30,CHEMBL408041,Cc1cn2cc(C#N)cc2c(C#Cc2cccc(C(F)(F)F)c2)n1,FOBUWPBEGIITGQ,FOBUWPBEGIITGQ-UHFFFAOYSA-N,"InChI=1S/C18H10F3N3/c1-12-10-24-11-14(9-22)8-17(24)16(23-12)6-5-13-3-2-4-15(7-13)18(19,20)21/h2-4,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,16,15,17,13,12,23,9,7,3,5,2,14,6,18,11,10,19,20,21,22,8,24,4/E:(19,20,21)/rA:24CCCNCCCNCCCCCCCCCCCFFFCN/rB:s1;d2;s3;s4;d5;s6;t7;s6;s4d9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s14d18;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-FODONWGPMXPGNC_on_P41594_WT,Low,ChEMBL30,CHEMBL236994,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1NCCO3)s2,FODONWGPMXPGNC,FODONWGPMXPGNC-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2","""AuxInfo=1/0/N:10,13,9,14,22,23,18,6,11,8,19,15,20,4,3,16,2,12,21,17,5,7,1,24,25/E:(1,2)(3,4)/rA:25OCCCNCNCCCCClCCCCNCCCNCCOS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s19s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-FODONWGPMXPGNC_on_Q13255_WT,High,ChEMBL30,CHEMBL236994,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1NCCO3)s2,FODONWGPMXPGNC,FODONWGPMXPGNC-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2","""AuxInfo=1/0/N:10,13,9,14,22,23,18,6,11,8,19,15,20,4,3,16,2,12,21,17,5,7,1,24,25/E:(1,2)(3,4)/rA:25OCCCNCNCCCCClCCCCNCCCNCCOS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s19s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-FOLMXBPXGPARDX_on_Q14416_WT,High,ChEMBL30,CHEMBL3885493,Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12,FOLMXBPXGPARDX,FOLMXBPXGPARDX-UHFFFAOYSA-N,"InChI=1S/C20H17ClN4O/c21-19-17(7-9-25-18(10-13-4-5-13)23-24-20(19)25)26-12-15-3-1-2-14-6-8-22-11-16(14)15/h1-3,6-9,11,13H,4-5,10,12H2","""AuxInfo=1/0/N:8,9,7,22,23,11,16,12,17,20,14,5,21,10,6,15,3,19,2,26,1,13,24,25,18,4/E:(4,5)/rA:26ClCCOCCCCCCCCNCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s6s10d14;s3;d16;s17;s18;s19;s20;s21;s21s22;d19;s24;s2s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-FONMLWMEVQYZKW_on_P41594_WT,Low,ChEMBL30,CHEMBL1951661,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O,FONMLWMEVQYZKW,FONMLWMEVQYZKW-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCClCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FONMLWMEVQYZKW_on_Q13255_WT,High,ChEMBL30,CHEMBL1951661,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O,FONMLWMEVQYZKW,FONMLWMEVQYZKW-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCClCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-FONUUVGMXJQRAK_on_P41594_WT,Low,ChEMBL30,CHEMBL1783863,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O,FONUUVGMXJQRAK,FONUUVGMXJQRAK-UHFFFAOYSA-N,"InChI=1S/C18H13FN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FONUUVGMXJQRAK_on_Q13255_WT,High,ChEMBL30,CHEMBL1783863,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O,FONUUVGMXJQRAK,FONUUVGMXJQRAK-UHFFFAOYSA-N,"InChI=1S/C18H13FN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-FOOVFCLLKVNCPB_on_P14867_WT,Low,ChEMBL30,CHEMBL2420449,On1cc(C2CCNCC2)c(-c2c[nH]c(-c3ccccc3)n2)n1,FOOVFCLLKVNCPB,FOOVFCLLKVNCPB-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-11-14(12-6-8-18-9-7-12)16(21-22)15-10-19-17(20-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,20)","""AuxInfo=1/1/N:19,18,20,17,21,6,10,7,9,13,3,5,16,4,12,11,15,8,14,22,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONCCCCCNCCCCCNCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  5.010;  5.010,5.01,0.0,0.0,2.0,5.01,0.0
-FOOVFCLLKVNCPB_on_P18507_WT,Low,ChEMBL30,CHEMBL2420449,On1cc(C2CCNCC2)c(-c2c[nH]c(-c3ccccc3)n2)n1,FOOVFCLLKVNCPB,FOOVFCLLKVNCPB-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-11-14(12-6-8-18-9-7-12)16(21-22)15-10-19-17(20-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,20)","""AuxInfo=1/1/N:19,18,20,17,21,6,10,7,9,13,3,5,16,4,12,11,15,8,14,22,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONCCCCCNCCCCCNCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  5.010;  5.010,5.01,0.0,0.0,2.0,5.01,0.0
-FOOVFCLLKVNCPB_on_P47870_WT,Low,ChEMBL30,CHEMBL2420449,On1cc(C2CCNCC2)c(-c2c[nH]c(-c3ccccc3)n2)n1,FOOVFCLLKVNCPB,FOOVFCLLKVNCPB-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c23-22-11-14(12-6-8-18-9-7-12)16(21-22)15-10-19-17(20-15)13-4-2-1-3-5-13/h1-5,10-12,18,23H,6-9H2,(H,19,20)","""AuxInfo=1/1/N:19,18,20,17,21,6,10,7,9,13,3,5,16,4,12,11,15,8,14,22,23,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23ONCCCCCNCCCCCNCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  5.010;  5.010,5.01,0.0,0.0,2.0,5.01,0.0
-FOPJMYBQTFPHTL_on_P41594_WT,High,ChEMBL30,CHEMBL4060556,O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,FOPJMYBQTFPHTL,FOPJMYBQTFPHTL-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:6,5,7,4,8,19,18,11,10,22,14,3,20,17,13,12,16,2,21,23,15,9,1,24/E:(2,3)(4,5)/rA:24OCCCCCCCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;d12;s9s13;s13;d15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-FOQOBSPAGHTONT_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628090,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]nc1,FOQOBSPAGHTONT,FOQOBSPAGHTONT-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O3/c19-14-7-11(22-16(24)10-8-20-21-9-10)5-6-15(14)23-17(25)12-3-1-2-4-13(12)18(23)26/h1-9H,(H,20,21)(H,22,24)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,26,22,4,12,11,19,7,2,17,9,20,24,25,3,8,1,18,10/E:(1,2)(3,4)(8,9)(12,13)(17,18)(20,21)(25,26)/rA:26OCNCCCCNCOCCCCCCCOCClCCCNNC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-FOSOKBNWILBLSN_on_O00591_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_O14764_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P14867_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P18505_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P18507_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P28472_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P31644_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P34903_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P47869_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P47870_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P48169_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_P78334_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_Q16445_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSOKBNWILBLSN_on_Q99928_WT,Low,ChEMBL30,CHEMBL329174,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1,FOSOKBNWILBLSN,FOSOKBNWILBLSN-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,7,6,10,8,14,4,5,15,2,12,9,3,13,11,1,20/rA:20OCNCCCCCFCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FOSSAPOSUHCFIO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3906711,CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C,FOSSAPOSUHCFIO,FOSSAPOSUHCFIO-UHFFFAOYSA-N,"InChI=1S/C21H21FN2O/c1-21(2)13-12-18(20(25)24(21)3)19-11-8-16(14-23-19)5-4-15-6-9-17(22)10-7-15/h6-11,14,18H,12-13H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,10,13,18,8,14,17,7,21,22,19,12,9,15,5,6,3,23,16,20,2,4/E:(1,2)(6,7)(9,10)/rA:25CNCOCCCCCCCCCCCFCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-FOSUVWYBRCAGAE_on_P41594_WT,High,ChEMBL30,CHEMBL1682797,O=c1ccoc2c1ccc(C#Cc1ccccc1)c2,FOSUVWYBRCAGAE,FOSUVWYBRCAGAE-UHFFFAOYSA-N,"InChI=1S/C17H10O2/c18-16-10-11-19-17-12-14(8-9-15(16)17)7-6-13-4-2-1-3-5-13/h1-5,8-12H","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,19,13,10,7,2,6,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.930;  6.930,6.93,0.0,0.0,2.0,6.93,0.0
-FOTXLRCLGYIXPQ_on_Q14833_WT,High,ChEMBL30,CHEMBL4067875,ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCOCC1)cc2,FOTXLRCLGYIXPQ,FOTXLRCLGYIXPQ-UHFFFAOYSA-N,"InChI=1S/C22H22N4O4/c27-24-19-14-22(20-12-16-2-1-5-26(16)15-23-20)30-21-4-3-17(13-18(19)21)29-11-8-25-6-9-28-10-7-25/h1-5,12-15,27H,6-11H2","""AuxInfo=1/0/N:10,9,29,30,11,24,28,22,25,27,21,7,18,4,13,8,19,17,3,6,16,5,14,2,23,12,1,26,20,15/E:(6,7)(9,10)/rA:30ONCCCCCCCCCNCNOCCCCOCCNCCOCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s8s11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s19;s16d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019819;CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.160;  7.340,7.25,0.09,0.09,2.0,7.25,0.09
-FOVUVYKDWJUHPC_on_P41594_WT,High,ChEMBL30,CHEMBL4246185,CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1,FOVUVYKDWJUHPC,FOVUVYKDWJUHPC-UHFFFAOYSA-N,"InChI=1S/C55H75N9O4S/c1-4-31-63(50-26-27-52-46(37-50)17-16-18-53(52)65)35-29-44-19-22-47(23-20-44)59-54(66)28-25-48-40-64(61-60-48)34-15-10-8-6-5-7-9-13-32-62(3)33-14-11-12-30-57-55(67)41-68-51-36-45(38-56-39-51)21-24-49-42-69-43(2)58-49/h16-20,22-23,36,38-40,42,50,65H,4-15,25-35,37,41H2,1-3H3,(H,57,67)(H,59,66)","""AuxInfo=1/1/N:1,50,30,2,24,23,25,22,26,21,33,34,27,32,20,65,64,66,8,58,44,9,57,45,15,60,61,14,6,35,3,28,31,19,5,42,69,52,54,17,39,47,49,7,43,63,10,16,46,59,41,62,67,12,37,53,36,51,11,56,55,29,4,18,68,13,38,40,48/E:(19,20)(22,23)/rA:69CCCNCCCCCCNCOCCCCNCCCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCNCNNCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s12;s14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s29;s31;s32;s33;s34;s35;s36;d37;s37;s39;s40;d41;s42;s43;t44;s45;d46;s47;s48;s49;s46d49;d43;s52;s41d53;s18;s16d55;s10;s7d57;s4;s59;s60;s61;d62;s63;d64;s65;s62d66;s67;s59s63;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-FOYPNVLAYSNOIF_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2112963;11347844,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1C#N,FOYPNVLAYSNOIF,FOYPNVLAYSNOIF-UHFFFAOYSA-N,"InChI=1S/C20H22N2O2/c1-3-13-10-16-11-15(6-9-18(16)22-19(13)12-21)20(23)14-4-7-17(24-2)8-5-14/h6,9-11,14,17H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,17,2,13,19,8,14,18,7,4,20,23,3,12,9,5,15,6,22,10,24,21,11,16/E:(4,5)(7,8)/rA:24CCCCCCCCCCOCCCCOCCCCNCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  6.760;  6.759,6.76,0.0,0.0,2.0,6.76,0.0
-FPDBSDNGFNDSSK_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684241,O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(O)CC1,FPDBSDNGFNDSSK,FPDBSDNGFNDSSK-UHFFFAOYSA-N,"InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2","""AuxInfo=1/0/N:12,11,13,10,14,8,7,5,15,4,16,19,22,18,23,9,6,3,20,2,17,21,1/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:23OCCCCCCCCCCCCCCCNCCCOCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s2;s17;s18;s19;s20;s20;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FPFNPRKXLNULEV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3942904,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)C4(O)CCC4)CC3C1)cc2,FPFNPRKXLNULEV,FPFNPRKXLNULEV-UHFFFAOYSA-N,"InChI=1S/C24H32N4O3/c1-23(2,3)14-28-19-7-6-18(25-20(19)26(4)22(28)30)15-10-16-12-27(13-17(16)11-15)21(29)24(31)8-5-9-24/h6-7,10,16-17,31H,5,8-9,11-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,25,30,31,24,26,16,29,18,27,6,15,17,28,14,11,12,20,3,7,22,13,2,19,5,21,4,23/E:(1,2,3)(8,9)/rA:31CNCONCCCCCCCNCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s19;d20;s20;s22;s22;s24;s22s25;s19;s17s27;s15s28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.870;  7.290,7.08,0.21,0.21,2.0,7.08,0.21
-FPIAHNKGLMTZIN_on_P31644_WT,High,ChEMBL30,CHEMBL3676435,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(C2CCC(F)CN2)no1,FPIAHNKGLMTZIN,FPIAHNKGLMTZIN-UHFFFAOYSA-N,"InChI=1S/C21H27FN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2,5,10,15-16,18,23H,3-4,6-9,11-12H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,8,24,23,7,14,18,15,17,19,27,4,2,9,25,13,3,22,6,21,10,26,28,20,12,29,11,16,5,30/E:(6,7)(8,9)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;s22;s23;s24;s25;s25;s22s27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-FPJGATLHQBZDSZ_on_Q13255_WT,High,ChEMBL30,CHEMBL568991,CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncn2)cs1,FPJGATLHQBZDSZ,FPJGATLHQBZDSZ-UHFFFAOYSA-N,"InChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-11(16)5-3-10)15-19-13(8-22-15)12-6-7-17-9-18-12/h2-9H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,17,21,19,5,8,15,14,3,12,9,18,20,13,2,4,22/E:(2,3)(4,5)/rA:22CNCOCCCCFCCCNCCCCNCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FPJZUCHOLOKXEN_on_P18507_WT,Low,ChEMBL30,CHEMBL1079301,Clc1cc2c(cc1)-n1cnc(C3CC3)c1Cn1ncnc-21,FPJZUCHOLOKXEN,FPJZUCHOLOKXEN-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-10-3-4-12-11(5-10)15-17-7-19-21(15)6-13-14(9-1-2-9)18-8-20(12)13/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:13,14,7,6,3,16,19,9,12,2,4,5,15,11,21,1,20,10,18,8,17/E:(1,2)/rA:21ClCCCCCCNCNCCCCCCNNCNC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;d9;s10;s11;s12;s12s13;s8d11;s15;s16;s17;d18;s19;s4s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FPJZUCHOLOKXEN_on_P28472_WT,Low,ChEMBL30,CHEMBL1079301,Clc1cc2c(cc1)-n1cnc(C3CC3)c1Cn1ncnc-21,FPJZUCHOLOKXEN,FPJZUCHOLOKXEN-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-10-3-4-12-11(5-10)15-17-7-19-21(15)6-13-14(9-1-2-9)18-8-20(12)13/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:13,14,7,6,3,16,19,9,12,2,4,5,15,11,21,1,20,10,18,8,17/E:(1,2)/rA:21ClCCCCCCNCNCCCCCCNNCNC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;d9;s10;s11;s12;s12s13;s8d11;s15;s16;s17;d18;s19;s4s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FPJZUCHOLOKXEN_on_P31644_WT,Low,ChEMBL30,CHEMBL1079301,Clc1cc2c(cc1)-n1cnc(C3CC3)c1Cn1ncnc-21,FPJZUCHOLOKXEN,FPJZUCHOLOKXEN-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5/c16-10-3-4-12-11(5-10)15-17-7-19-21(15)6-13-14(9-1-2-9)18-8-20(12)13/h3-5,7-9H,1-2,6H2","""AuxInfo=1/0/N:13,14,7,6,3,16,19,9,12,2,4,5,15,11,21,1,20,10,18,8,17/E:(1,2)/rA:21ClCCCCCCNCNCCCCCCNNCNC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;d9;s10;s11;s12;s12s13;s8d11;s15;s16;s17;d18;s19;s4s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-FPLBAZPQICLDPO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL395389;44441361,CCOc1cccc2c1C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O,FPLBAZPQICLDPO,FPLBAZPQICLDPO-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O4/c1-2-31-19-8-5-6-16-20(19)23(30)27(22(16)29)13-14-12-15(24)9-10-17(14)26-21(28)18-7-3-4-11-25-18/h3-12H,2,13H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,2,26,27,6,7,25,5,18,19,28,15,13,14,16,8,20,24,4,9,22,30,10,17,29,21,12,23,31,11,3/rA:31CCOCCCCCCCONCCCCBrCCCNCOCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s10;s12;s13;d14;s15;s16;d16;s18;s14d19;s20;s21;d22;s22;d24;s25;d26;s27;s24d28;s8s12;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  6.140;  6.143,6.141,0.002,0.002,2.0,6.141,0.002
-FPMNORHIAMFQIJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337456,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CCC2)c1=O,FPMNORHIAMFQIJ,FPMNORHIAMFQIJ-UHFFFAOYSA-N,"InChI=1S/C22H25N3O/c23-15-20-21(11-14-25(22(20)26)16-17-5-4-6-17)24-12-9-19(10-13-24)18-7-2-1-3-8-18/h1-3,7-8,11,14,17,19H,4-6,9-10,12-13,16H2","""AuxInfo=1/0/N:12,11,13,23,22,24,10,14,7,15,17,6,16,18,2,20,21,9,8,3,4,25,1,5,19,26/E:(2,3)(5,6)(7,8)(9,10)(12,13)/rA:26NCCCNCCCCCCCCCCCCCNCCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s21s23;s3s19;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-FPMNWJZIMVLGQW_on_P41594_WT,High,ChEMBL30,CHEMBL3949402,O=C1NC(c2cncc(C#CC3CCCO3)c2)C(c2cccc(F)c2)O1,FPMNWJZIMVLGQW,FPMNWJZIMVLGQW-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O3/c21-16-4-1-3-14(10-16)19-18(23-20(24)26-19)15-9-13(11-22-12-15)6-7-17-5-2-8-25-17/h1,3-4,9-12,17-19H,2,5,8H2,(H,23,24)","""AuxInfo=1/1/N:21,14,20,22,13,10,11,15,17,25,8,6,9,19,5,23,12,4,18,2,24,7,3,1,16,26/rA:26OCNCCCNCCCCCCCCOCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s12s15;s5d9;s4;s18;d19;s20;d21;s22;s23;s19d23;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  6.620;  6.490,6.555,0.065,0.065,2.0,6.555,0.065
-FPPKJNIYDBNWAJ_on_Q14416_WT,High,ChEMBL30,CHEMBL361837,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2,FPPKJNIYDBNWAJ,FPPKJNIYDBNWAJ-UHFFFAOYSA-N,"InChI=1S/C26H28Cl2N4O3/c1-26(18-6-2-3-7-18)15-17-14-20(22(27)23(28)21(17)24(26)33)35-13-5-4-12-34-19-10-8-16(9-11-19)25-29-31-32-30-25/h8-11,14,18H,2-7,12-13,15H2,1H3,(H,29,30,31,32)","""AuxInfo=1/1/N:1,5,6,21,20,4,7,26,33,25,34,22,19,35,8,27,9,3,24,17,10,15,13,11,28,2,16,14,29,32,30,31,12,23,18/E:(2,3)(6,7)(8,9)(10,11)(29,30)(31,32)/rA:35CCCCCCCCCCCOCClCClCOCCCCOCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-FPQARIIBDDMZEU_on_P41594_WT,Medium,ChEMBL30,CHEMBL92118,NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)c1ccc(C(=O)O)cc1,FPQARIIBDDMZEU,FPQARIIBDDMZEU-UHFFFAOYSA-N,"InChI=1S/C23H19NO4S/c24-23(22(27)28,15-11-9-14(10-12-15)21(25)26)13-18-16-5-1-3-7-19(16)29-20-8-4-2-6-17(18)20/h1-12,18H,13,24H2,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,23,28,22,29,3,24,21,5,13,4,10,12,25,18,2,1,26,27,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(19,20)(25,26)(27,28)/rA:29NCCCCCCCCCSCCCCCCCOOCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;d21;s22;d23;s24;d25;s25;s24;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-FPQARIIBDDMZEU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL92118,NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)c1ccc(C(=O)O)cc1,FPQARIIBDDMZEU,FPQARIIBDDMZEU-UHFFFAOYSA-N,"InChI=1S/C23H19NO4S/c24-23(22(27)28,15-11-9-14(10-12-15)21(25)26)13-18-16-5-1-3-7-19(16)29-20-8-4-2-6-17(18)20/h1-12,18H,13,24H2,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,23,28,22,29,3,24,21,5,13,4,10,12,25,18,2,1,26,27,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(19,20)(25,26)(27,28)/rA:29NCCCCCCCCCSCCCCCCCOOCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;d21;s22;d23;s24;d25;s25;s24;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-FPRLTMYWIBRCQM_on_P18507_WT,Low,ChEMBL30,CHEMBL576426,CCc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,FPRLTMYWIBRCQM,FPRLTMYWIBRCQM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,5,8,18,11,3,12,4,10,9,19,7,17,6/rA:19CCCCCNNCNCCCCCCCNCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-FPRLTMYWIBRCQM_on_P28472_WT,Low,ChEMBL30,CHEMBL576426,CCc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,FPRLTMYWIBRCQM,FPRLTMYWIBRCQM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,5,8,18,11,3,12,4,10,9,19,7,17,6/rA:19CCCCCNNCNCCCCCCCNCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-FPRLTMYWIBRCQM_on_P31644_WT,Low,ChEMBL30,CHEMBL576426,CCc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,FPRLTMYWIBRCQM,FPRLTMYWIBRCQM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,5,8,18,11,3,12,4,10,9,19,7,17,6/rA:19CCCCCNNCNCCCCCCCNCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s11d15;s4s12;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-FPRNAZWYKWQQEU_on_P31644_WT,High,ChEMBL30,CHEMBL3676548,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccc(Cl)c2)no1,FPRNAZWYKWQQEU,FPRNAZWYKWQQEU-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O3/c1-13-18(20(25-28-13)15-3-2-4-17(22)9-15)12-27-19-8-7-16(11-23-19)21(26)24-10-14-5-6-14/h2-4,7-9,11,14H,5-6,10,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,22,21,23,15,16,8,7,26,13,17,4,2,14,20,9,24,3,6,19,10,25,18,12,27,11,5,28/E:(5,6)/rA:28CCCCOCCCCCONCCCCCNCCCCCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s24;s20d24;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-FPWGIABDOFXETH_on_P14867_WT,Low,ChEMBL30,CHEMBL111762,CCc1c(Br)c(CC)ccc1,FPWGIABDOFXETH,FPWGIABDOFXETH-UHFFFAOYSA-N,"InChI=1S/C10H13Br/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,10,11,9,3,6,4,5/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCBrCCCCCC/rB:s1;s2;d3;s4;s4;s6;s7;d6;s9;s3d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  3.900,4.3,0.4,0.4,2.0,4.3,0.4
-FPWGIABDOFXETH_on_P18507_WT,Low,ChEMBL30,CHEMBL111762,CCc1c(Br)c(CC)ccc1,FPWGIABDOFXETH,FPWGIABDOFXETH-UHFFFAOYSA-N,"InChI=1S/C10H13Br/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,10,11,9,3,6,4,5/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCBrCCCCCC/rB:s1;s2;d3;s4;s4;s6;s7;d6;s9;s3d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  3.900,4.3,0.4,0.4,2.0,4.3,0.4
-FPWGIABDOFXETH_on_P47870_WT,Low,ChEMBL30,CHEMBL111762,CCc1c(Br)c(CC)ccc1,FPWGIABDOFXETH,FPWGIABDOFXETH-UHFFFAOYSA-N,"InChI=1S/C10H13Br/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,10,11,9,3,6,4,5/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCBrCCCCCC/rB:s1;s2;d3;s4;s4;s6;s7;d6;s9;s3d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.900;  4.700,4.3,0.4,0.4,2.0,4.3,0.4
-FPXPIEZPAXSELW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL164770,O=C(Nc1ccccc1)C12CC1C(=NO)c1c(cccc1)O2,FPXPIEZPAXSELW,FPXPIEZPAXSELW-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,9,21,18,11,4,16,12,17,13,2,10,3,14,1,15,22/E:(2,3)(6,7)/rA:22OCNCCCCCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL820026,DOI:10.1016/0960-894X(96)00104-7,1996.0,DOI:10.1016/0960-894X(96)00104-7,1996,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-FPXPIEZPAXSELW_on_Q14833_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,CHEMBL507522;CHEMBL507522;6604796;CHEMBL507522;CHEMBL507522;CHEMBL507522;CHEMBL507522;CHEMBL507522,O=C(Nc1ccccc1)C12CC1C(=NO)c1c(cccc1)O2,FPXPIEZPAXSELW,FPXPIEZPAXSELW-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,9,21,18,11,4,16,12,17,13,2,10,3,14,1,15,22/E:(2,3)(6,7)/rA:22OCNCCCCCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814;CHEMBL4019819;PubChemAID:623876;CHEMBL3610659;CHEMBL1831599;CHEMBL995009;CHEMBL1211365;CHEMBL1678441,PMID:18793851,2008.0,PMID:28902994;PMID:28902994;PubChemAID:623876;PMID:26231155;PMID:21688779;PMID:18793851;PMID:20638279;PMID:21247167,2017;2017;2012;2015;2011;2008;2010;2011,0,1;1;0;1;1;1;1;1,0,0,0;0;1;0;0;0;0;0,,=,  5.650;  5.600;  5.310;  5.850;  5.510;  5.390;  5.300;  5.320,5.4910000000000005,0.185,0.07,8.0,5.45,0.145
-FPYUSTOKUSYAJJ_on_P41594_WT,Low,ChEMBL30,CHEMBL3953326,N#Cc1c(-c2ccccc2)c2c(nc1C1CC1)[nH]nc2-c1ccccc1,FPYUSTOKUSYAJJ,FPYUSTOKUSYAJJ-UHFFFAOYSA-N,"InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(15-9-5-2-6-10-15)25-26-22(19)24-20(17)16-11-12-16/h1-10,16H,11-12H2,(H,24,25,26)","""AuxInfo=1/1/N:8,24,7,9,23,25,6,10,22,26,16,17,2,5,21,15,3,4,11,14,20,12,1,13,19,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26NCCCCCCCCCCCNCCCCNNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s3d13;s14;s15;s15s16;s12;s18;s11d19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-FPZJORKHWVTQBR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3958740,CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)C2CCCCC21,FPZJORKHWVTQBR,FPZJORKHWVTQBR-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O/c1-24-17-4-2-3-5-18(17)25(20(24)26)19-9-8-14(12-23-19)6-7-15-10-16(21)13-22-11-15/h8-13,17-18H,2-5H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,10,11,8,7,18,13,19,15,9,12,16,26,21,6,3,17,14,20,2,5,4/rA:26CNCONCCCCCCCCNCCFCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s22;s23;s24;s2s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-FPZRLVWMYYWLRU_on_O00222_WT,High,ExCAPE-DB,73058454,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1,FPZRLVWMYYWLRU,FPZRLVWMYYWLRU-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16-6-5-7-19(12-16)14-29-15-23(26)22-13-17(2)25(18(22)3)21-10-8-20(9-11-21)24(27)28-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:24,11,27,1,21,22,20,6,29,7,28,25,12,18,16,23,10,26,19,5,8,13,14,3,9,15,4,2,17/E:(8,9)(10,11)/rA:29COCOCCCCNCCCCCOCSCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s9d13;s26;s8;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-FPZRLVWMYYWLRU_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561819,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cc(C)ccc3)c2C)cc1,FPZRLVWMYYWLRU,FPZRLVWMYYWLRU-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16-6-5-7-19(12-16)14-29-15-23(26)22-13-17(2)25(18(22)3)21-10-8-20(9-11-21)24(27)28-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:22,11,27,1,24,23,25,6,29,7,28,20,12,18,16,21,10,26,19,5,8,13,14,3,9,15,4,2,17/E:(8,9)(10,11)/rA:29COCOCCCCNCCCCCOCSCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s9d13;s26;s8;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FPZRLVWMYYWLRU_on_Q14833_WT,High,ExCAPE-DB,73058454,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1,FPZRLVWMYYWLRU,FPZRLVWMYYWLRU-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16-6-5-7-19(12-16)14-29-15-23(26)22-13-17(2)25(18(22)3)21-10-8-20(9-11-21)24(27)28-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:24,11,27,1,21,22,20,6,29,7,28,25,12,18,16,23,10,26,19,5,8,13,14,3,9,15,4,2,17/E:(8,9)(10,11)/rA:29COCOCCCCNCCCCCOCSCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s9d13;s26;s8;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FQAXDSVNYVVQSE_on_P41594_WT,High,ChEMBL30,CHEMBL3603923,N#Cc1cc(Cl)cc(-c2cc(-c3ncc(F)cc3)ncn2)c1,FQAXDSVNYVVQSE,FQAXDSVNYVVQSE-UHFFFAOYSA-N,"InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H","""AuxInfo=1/0/N:17,18,22,4,7,10,2,14,20,3,8,5,15,12,9,11,6,16,1,13,21,19/rA:22NCCCCClCCCCCCNCCFCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s9d20;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4320878;CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:30807144;PMID:26225459;PMID:26225459,2019;2015;2015,1;1;0,0,0,0;0;1,0,,=,  9.300;  9.200;  9.300,9.267000000000001,0.047,0.033,3.0,9.3,0.0
-FQDORNTXXPHSQA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113601,CCc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OC,FQDORNTXXPHSQA,FQDORNTXXPHSQA-UHFFFAOYSA-N,"InChI=1S/C24H29N3O2/c1-6-18-7-8-19(13-22(18)28-5)24-26-23(20-11-15(2)25-16(3)12-20)21-9-10-29-17(4)14-27(21)24/h7-8,11-13,17H,6,9-10,14H2,1-5H3","""AuxInfo=1/0/N:1,13,16,23,29,2,4,5,19,20,11,17,26,24,12,15,22,3,6,10,18,27,9,7,14,8,25,28,21/E:(2,3)(11,12)(15,16)/rA:29CCCCCCCNCCCCCNCCCCCCOCCCNCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-FQDQLHDSVITISC_on_O00591_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_O14764_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_P14867_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  7.680;  6.970;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P18505_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  6.970;  7.680;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P18507_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.680;  6.970,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_P28472_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  6.970;  7.680;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P31644_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  6.970;  7.680;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P34903_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  5.500;  6.970;  7.680,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P47869_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;1,0;1;0,0,0,0,,=,  6.970;  5.500;  7.680,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P47870_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  5.500;  6.970;  7.680,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P48169_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  7.680;  6.970;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_P78334_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQDQLHDSVITISC_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427531;CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  7.680;  6.970;  5.500,6.7170000000000005,0.9079999999999999,0.642,3.0,6.97,0.71
-FQDQLHDSVITISC_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427522;CHEMBL3427531,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1,FQDQLHDSVITISC,FQDQLHDSVITISC-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)9-7-17-16(13-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(27)14-26-12-11-25-15-26/h11-12,15-21,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,24,7,6,11,10,27,16,17,2,14,23,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.970;  7.680,7.325,0.355,0.355,2.0,7.325,0.355
-FQFLDBKSBBCIMR_on_Q13255_WT,High,ChEMBL30,CHEMBL3628114,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)occ1,FQFLDBKSBBCIMR,FQFLDBKSBBCIMR-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-6-7-28-17(10)18(25)23-12-3-5-16(15(21)9-12)24-19(26)13-4-2-11(22)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,28,27,16,25,2,17,7,14,15,23,10,3,4,12,21,24,18,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCFCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.620;  7.620,7.62,0.0,0.0,2.0,7.62,0.0
-FQFLDBKSBBCIMR_on_Q14833_WT,High,ChEMBL30,CHEMBL3628114,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)occ1,FQFLDBKSBBCIMR,FQFLDBKSBBCIMR-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-6-7-28-17(10)18(25)23-12-3-5-16(15(21)9-12)24-19(26)13-4-2-11(22)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,28,27,16,25,2,17,7,14,15,23,10,3,4,12,21,24,18,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCFCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  6.140;  6.150,6.145,0.005,0.005,2.0,6.145,0.005
-FQOIYJDZFOJOEY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113929,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(C)n1,FQOIYJDZFOJOEY,FQOIYJDZFOJOEY-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-8-16(4-5-20(13)32-23(25,26)27)22-29-21(17-9-14(2)28-15(3)10-17)19-6-7-31-18(11-24)12-30(19)22/h4-5,8-10,18H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:26,1,31,17,18,7,8,27,3,29,11,13,25,2,30,16,4,10,6,19,5,15,21,12,22,23,24,32,28,14,9,20/E:(2,3)(9,10)(14,15)(25,26,27)/rA:32CCCCCCCCOCCFCNCCCCCOCFFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-FQPYRWAIWQNTFQ_on_O15399_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_O60391_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQPYRWAIWQNTFQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL338354,CNC12CC3CC(C)(CC(C)(C3)C1)C2,FQPYRWAIWQNTFQ,FQPYRWAIWQNTFQ-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3","""AuxInfo=1/0/N:8,11,1,6,12,4,9,14,13,5,7,10,3,2/E:(1,2)(4,5)(8,9)(11,12)/rA:14CNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;s5s10;s3s10;s3s7;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FQRDINXIBALEKR_on_Q14833_WT,Low,ChEMBL30,CHEMBL552558,Cn1cccc1C(=O)Nc1cc(Cl)c(Cl)cc1,FQRDINXIBALEKR,FQRDINXIBALEKR-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2N2O/c1-16-6-2-3-11(16)12(17)15-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,17)","""AuxInfo=1/1/N:1,4,5,17,16,3,11,10,14,12,6,7,15,13,9,2,8/rA:17CNCCCCCONCCCClCClCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;s12;d12;s14;s14;s10d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FQRJEVZKXXYICG_on_Q05586_WT,Low,ChEMBL30,CHEMBL594417,CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1,FQRJEVZKXXYICG,FQRJEVZKXXYICG-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O4S/c1-29(26,27)22-14-2-5-16(6-3-14)28-13-19(25)24-10-8-23(9-11-24)15-4-7-17(20)18(21)12-15/h2-7,12,22H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,7,29,25,8,28,24,16,26,15,27,19,11,6,18,9,22,20,12,23,21,5,17,14,13,3,4,10,2/E:(2,3)(5,6)(8,9)(10,11)(26,27)/CRV:29.6/rA:29CSOONCCCCOCCONCCNCCCClCClCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s17;s14s26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-FQRJEVZKXXYICG_on_Q13224_WT,Low,ChEMBL30,CHEMBL594417,CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1,FQRJEVZKXXYICG,FQRJEVZKXXYICG-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O4S/c1-29(26,27)22-14-2-5-16(6-3-14)28-13-19(25)24-10-8-23(9-11-24)15-4-7-17(20)18(21)12-15/h2-7,12,22H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,7,29,25,8,28,24,16,26,15,27,19,11,6,18,9,22,20,12,23,21,5,17,14,13,3,4,10,2/E:(2,3)(5,6)(8,9)(10,11)(26,27)/CRV:29.6/rA:29CSOONCCCCOCCONCCNCCCClCClCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s17;s14s26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-FQUAFMNPXPXOJE_on_P18507_WT,Low,ChEMBL30,CHEMBL3311308,COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1,FQUAFMNPXPXOJE,FQUAFMNPXPXOJE-UHFFFAOYSA-N,"InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3","""AuxInfo=1/0/N:16,13,19,1,4,21,5,20,14,17,15,12,18,3,6,11,10,8,9,2,7/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/CRV:21.6/rA:21COCCCCSOONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3362653,PMID:24881566,2014.0,PMID:24881566,2014,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-FQUAFMNPXPXOJE_on_P28472_WT,Low,ChEMBL30,CHEMBL3311308,COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1,FQUAFMNPXPXOJE,FQUAFMNPXPXOJE-UHFFFAOYSA-N,"InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3","""AuxInfo=1/0/N:16,13,19,1,4,21,5,20,14,17,15,12,18,3,6,11,10,8,9,2,7/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/CRV:21.6/rA:21COCCCCSOONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3362653,PMID:24881566,2014.0,PMID:24881566,2014,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-FQUAFMNPXPXOJE_on_P34903_WT,Low,ChEMBL30,CHEMBL3311308,COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1,FQUAFMNPXPXOJE,FQUAFMNPXPXOJE-UHFFFAOYSA-N,"InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3","""AuxInfo=1/0/N:16,13,19,1,4,21,5,20,14,17,15,12,18,3,6,11,10,8,9,2,7/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/CRV:21.6/rA:21COCCCCSOONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3362653,PMID:24881566,2014.0,PMID:24881566,2014,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-FQUKFUPGHFFFDR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2022159;70687684,O=C1CCNC(NC(=O)Nc2cccc(F)c2)=N1,FQUKFUPGHFFFDR,FQUKFUPGHFFFDR-UHFFFAOYSA-N,"InChI=1S/C11H11FN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18)","""AuxInfo=1/1/N:13,14,12,3,4,17,15,11,2,6,8,16,5,10,18,7,1,9/rA:18OCCCNCNCONCCCCCFCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;s2w?6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194;PubChemAID:658105,PMID:22523618,2011.0,PMID:22523618;PubChemAID:658105,2011;2013,1;0,0,0,0,0;1,,=,  5.040;  5.036,5.038,0.002,0.002,2.0,5.038,0.002
-FQUPICCTRPWMDZ_on_P41594_WT,Low,ChEMBL30,CHEMBL314690,O=C(O)CC1CNC1C(=O)O,FQUPICCTRPWMDZ,FQUPICCTRPWMDZ-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:4,6,5,2,8,9,7,1,3,10,11/E:(8,9)(10,11)/rA:11OCOCCCNCCOO/rB:d1;s2;s2;s4;s5;s6;s5s7;s8;d9;s9;/rC:;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL822308,DOI:10.1016/0960-894X(96)00464-7,1996.0,DOI:10.1016/0960-894X(96)00464-7,1996,0,1,0,0,0,,=,  3.979,3.9789999999999996,0.0,0.0,1.0,3.9789999999999996,0.0
-FQUPICCTRPWMDZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL314690,O=C(O)CC1CNC1C(=O)O,FQUPICCTRPWMDZ,FQUPICCTRPWMDZ-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c8-4(9)1-3-2-7-5(3)6(10)11/h3,5,7H,1-2H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:4,6,5,2,8,9,7,1,3,10,11/E:(8,9)(10,11)/rA:11OCOCCCNCCOO/rB:d1;s2;s2;s4;s5;s6;s5s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL824482,DOI:10.1016/0960-894X(96)00464-7,1996.0,DOI:10.1016/0960-894X(96)00464-7,1996,0,1,0,0,0,,=,  3.678,3.678,0.0,0.0,1.0,3.678,0.0
-FQZWNRLRJGZEPT_on_O15399_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_O60391_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FQZWNRLRJGZEPT_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365759,N=C(N)NN=Cc1ccc(O)cc1O,FQZWNRLRJGZEPT,FQZWNRLRJGZEPT-UHFFFAOYSA-N,"InChI=1S/C8H10N4O2/c9-8(10)12-11-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,(H4,9,10,12)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,1,3,5,4,11,14/E:(9,10)/rA:14NCNNNCCCCCOCCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.670,3.67,0.0,0.0,1.0,3.67,0.0
-FRAHVWASIZPVJR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3949126,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(C(F)(F)F)C2)c3)cn1,FRAHVWASIZPVJR,FRAHVWASIZPVJR-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O/c1-28-11-14(9-26-28)17-8-19(20(25)30)27-18-7-13(4-5-16(17)18)10-29-6-2-3-15(12-29)21(22,23)24/h4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,20,21,15,14,19,28,6,29,17,3,27,16,4,22,13,5,12,7,8,23,24,25,26,9,30,11,2,18,10/E:(22,23,24)/rA:30CNCCCCCCNONCCCCCCNCCCCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s23;s23;s18s22;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-FRBOLKRWUZSDFG_on_P41594_WT,High,ChEMBL30,CHEMBL2151631,O=C(c1ccccc1F)N1CCC1c1nc(-c2cc(F)ccc2)no1,FRBOLKRWUZSDFG,FRBOLKRWUZSDFG-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-12-5-3-4-11(10-12)16-21-17(25-22-16)15-8-9-23(15)18(24)13-6-1-2-7-14(13)20/h1-7,10,15H,8-9H2","""AuxInfo=1/0/N:5,6,22,23,21,4,7,12,11,18,17,19,3,8,13,16,14,2,20,9,15,24,10,1,25/rA:25OCCCCCCCFNCCCCNCCCCFCCCNO/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s10s12;s13;d14;s15;s16;d17;s18;s19;d19;s21;s17d22;d16;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-FRCKBMVHIZYZOO_on_P41594_WT,Low,ChEMBL30,CHEMBL223819,CCC(CC)n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,FRCKBMVHIZYZOO,FRCKBMVHIZYZOO-UHFFFAOYSA-N,"InChI=1S/C16H20N4OS/c1-5-10(6-2)20-9-18-13-12-11(19(3)4)7-8-17-15(12)22-14(13)16(20)21/h7-10H,5-6H2,1-4H3","""AuxInfo=1/0/N:1,5,16,17,2,4,18,19,7,3,14,13,9,10,12,21,20,8,15,6,22,11/E:(1,2)(3,4)(5,6)/rA:22CCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FRCKBMVHIZYZOO_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL223819;11594849,CCC(CC)n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,FRCKBMVHIZYZOO,FRCKBMVHIZYZOO-UHFFFAOYSA-N,"InChI=1S/C16H20N4OS/c1-5-10(6-2)20-9-18-13-12-11(19(3)4)7-8-17-15(12)22-14(13)16(20)21/h7-10H,5-6H2,1-4H3","""AuxInfo=1/0/N:1,5,16,17,2,4,18,19,7,3,14,13,9,10,12,21,20,8,15,6,22,11/E:(1,2)(3,4)(5,6)/rA:22CCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  6.470;  6.475,6.473,0.002,0.002,2.0,6.473,0.002
-FRDOLUJNVQSLJJ_on_P41594_WT,High,ChEMBL30,CHEMBL4241180,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)ccc2)nn1,FRDOLUJNVQSLJJ,FRDOLUJNVQSLJJ-UHFFFAOYSA-N,"InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)","""AuxInfo=1/1/N:58,38,14,1,33,32,34,31,41,17,16,42,35,40,30,61,60,62,18,15,52,21,53,22,43,36,39,29,8,20,9,19,50,4,6,27,25,47,55,57,51,5,54,26,49,11,12,23,3,45,44,59,64,63,37,7,10,28,46,13,2,48,24,56/E:(29,30)(31,32)/rA:64COCCCCNCCNCCOCCCCCCCCCCOCCCNCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s37;s39;s40;s41;s42;s43;s44;d45;s45;s47;s48;d49;s50;s51;t52;s53;d54;s55;s56;s57;s54d57;d51;s60;s49d61;s28;s26d63;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-FRHHXDWXZUUUBW_on_P41594_WT,Medium,ChEMBL30,CHEMBL4112268;CHEMBL3947392,Cc1csc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)n1,FRHHXDWXZUUUBW,FRHHXDWXZUUUBW-UHFFFAOYSA-N,"InChI=1S/C19H20N4OS/c1-14-12-25-17(22-14)16(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,11,15,12,10,14,22,23,19,20,17,3,24,2,16,6,5,13,9,18,21,25,8,7,4/rA:25CCCSCCONCCCCCCCCCNCCNCCCN/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s9s22;s9s13;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  7.420;  8.210,7.815,0.395,0.395,2.0,7.815,0.395
-FRILHYBVHIDOAG_on_Q14416_WT,High,ChEMBL30,CHEMBL595967,Cc1nc(N2CCN(c3c(C#N)c4ncc(CC(F)(F)F)n4cc3)CC2)nc(C)c1,FRILHYBVHIDOAG,FRILHYBVHIDOAG-UHFFFAOYSA-N,"InChI=1S/C20H20F3N7/c1-13-9-14(2)27-19(26-13)29-7-5-28(6-8-29)17-3-4-30-15(10-20(21,22)23)12-25-18(30)16(17)11-24/h3-4,9,12H,5-8,10H2,1-2H3","""AuxInfo=1/0/N:1,29,24,23,7,25,6,26,30,17,11,15,2,28,16,10,9,13,4,18,19,20,21,12,14,3,27,8,5,22/E:(1,2)(5,6)(7,8)(13,14)(21,22,23)(26,27)/rA:30CCNCNCCNCCCNCNCCCCFFFNCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;t11;s10;d13;s14;d15;s16;s17;s18;s18;s18;s13s16;s22;s9d23;s8;s5s25;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-FRMQZSOWTABKHV_on_Q14416_WT,Low,ChEMBL30,CHEMBL332141,NC(CC1CCC1)(C(=O)O)C1CC1C(=O)O,FRMQZSOWTABKHV,FRMQZSOWTABKHV-UHFFFAOYSA-N,"InChI=1S/C11H17NO4/c12-11(10(15)16,5-6-2-1-3-6)8-4-7(8)9(13)14/h6-8H,1-5,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:6,5,7,12,3,4,13,11,14,8,2,1,15,16,9,10/E:(2,3)(13,14)(15,16)/rA:16NCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s4s6;s2;d8;s8;s2;s11;s11s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FRMQZSOWTABKHV_on_Q14832_WT,Low,ChEMBL30,CHEMBL332141,NC(CC1CCC1)(C(=O)O)C1CC1C(=O)O,FRMQZSOWTABKHV,FRMQZSOWTABKHV-UHFFFAOYSA-N,"InChI=1S/C11H17NO4/c12-11(10(15)16,5-6-2-1-3-6)8-4-7(8)9(13)14/h6-8H,1-5,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:6,5,7,12,3,4,13,11,14,8,2,1,15,16,9,10/E:(2,3)(13,14)(15,16)/rA:16NCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s4s6;s2;d8;s8;s2;s11;s11s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FRNUYBIKKMXLFU_on_Q14833_WT,High,ChEMBL30,CHEMBL3810148,Cc1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1,FRNUYBIKKMXLFU,FRNUYBIKKMXLFU-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S2/c1-10-16(27(24,25)9-11-12(18)5-4-6-13(11)19)26-17(21-10)22-15(23)14-7-2-3-8-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,12,11,13,22,25,7,2,8,9,14,21,19,3,17,10,15,26,27,18,20,5,6,16,4/E:(5,6)(12,13)(18,19)(24,25)/CRV:27.6/rA:27CCCSOOCCCFCCCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.530;  6.530,6.53,0.0,0.0,2.0,6.53,0.0
-FROKPIIZKWCIFC_on_Q13255_WT,High,ChEMBL30,CHEMBL3330811,COc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1,FROKPIIZKWCIFC,FROKPIIZKWCIFC-UHFFFAOYSA-N,"InChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,5,23,4,24,13,8,15,6,3,14,10,11,21,9,7,22,2,12/E:(3,4)(5,6)(7,8)(9,10)/rA:24COCCCCNCNCCSCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-FRSNNDQIELIVAR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3975979,c1ccc(Nc2c3ncccc3n[nH]2)cc1,FRSNNDQIELIVAR,FRSNNDQIELIVAR-UHFFFAOYSA-N,"InChI=1S/C12H10N4/c1-2-5-9(6-3-1)14-12-11-10(15-16-12)7-4-8-13-11/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:1,2,16,10,3,15,11,9,4,12,7,6,8,5,13,14/E:(2,3)(5,6)/rA:16CCCCNCCNCCCCNNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-FSFYORXVEQZVRS_on_P41594_WT,Low,ChEMBL30,CHEMBL1783988,O=C(N1CCN(c2ccncc2)CC1)C12CC3CC(CC(C3)C1)C2,FSFYORXVEQZVRS,FSFYORXVEQZVRS-UHFFFAOYSA-N,"InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-1-3-21-4-2-18/h1-4,15-17H,5-14H2","""AuxInfo=1/0/N:8,12,9,11,5,13,4,14,18,20,22,24,16,23,19,17,21,7,2,15,10,6,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10,11)(12,13,14)(15,16,17)/rA:24OCNCCNCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s3s13;s2;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FSHWYSWVXJHBAE_on_P31644_WT,High,ChEMBL30,CHEMBL3676467,COCCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,FSHWYSWVXJHBAE,FSHWYSWVXJHBAE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-15-18(20(24-28-15)16-7-4-3-5-8-16)14-27-19-10-9-17(13-23-19)21(25)22-11-6-12-26-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,25)","""AuxInfo=1/1/N:17,1,24,23,25,4,22,26,10,11,5,3,28,14,16,21,9,15,12,20,7,6,27,19,8,2,13,18/E:(4,5)(7,8)/rA:28COCCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;s14;d15;s16;s16;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-FSLATDXSSXCWTO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106725,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1,FSLATDXSSXCWTO,FSLATDXSSXCWTO-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-13-11-16(7-9-25-13)19-18-8-10-28-14(2)12-27(18)20(26-19)15-3-5-17(6-4-15)29-21(22,23)24/h3-7,9,11,14H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,25,17,24,27,7,28,8,3,12,2,10,15,4,18,6,5,14,20,21,22,23,29,26,13,9,19/E:(3,4)(5,6)(22,23,24)/rA:29CCCCCCCCOCCCNCCCCCOCFFFCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-FSLBECRQRSQGBO_on_P41594_WT,High,ChEMBL30,CHEMBL404486,Cc1cn2cc(C(=O)N3CC(C)OC(C)C3)cc2c(C#Cc2cscc2)n1,FSLBECRQRSQGBO,FSLBECRQRSQGBO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2S/c1-14-9-23-12-18(21(25)24-10-15(2)26-16(3)11-24)8-20(23)19(22-14)5-4-17-6-7-27-13-17/h6-9,12-13,15-16H,10-11H2,1-3H3","""AuxInfo=1/0/N:1,12,15,21,20,26,25,17,3,10,16,5,23,2,11,14,22,6,19,18,7,27,4,9,8,13,24/E:(2,3)(10,11)(15,16)/rA:27CCCNCCCONCCCOCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;s13;s14;s9s14;s6;s4d17;s18;s19;t20;s21;d22;s23;s24;s22d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-FSLTVGCGRDEAQW_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647561,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)NC)cc2)c1,FSLTVGCGRDEAQW,FSLTVGCGRDEAQW-UHFFFAOYSA-N,"InChI=1S/C20H18FN5O2S/c1-3-26-12-23-19-17(11-24-25-20(19)26)14-6-9-18(21)16(10-14)13-4-7-15(8-5-13)29(27,28)22-2/h4-12,22H,3H2,1-2H3","""AuxInfo=1/0/N:1,26,2,19,28,13,20,27,14,29,10,4,18,12,21,17,11,15,6,7,16,25,5,9,8,3,23,24,22/E:(4,5)(7,8)(27,28)/CRV:29.6/rA:29CCNCNCCNNCCCCCCFCCCCCSOONCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-FSTOLTCZGBUNAF_on_Q13255_WT,High,ChEMBL30,CHEMBL3422877,Cc1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccc(F)cc2)c3C#N)c1,FSTOLTCZGBUNAF,FSTOLTCZGBUNAF-UHFFFAOYSA-N,"InChI=1S/C20H18FN5OS/c1-12-8-17(25-24-12)20(27)26-7-6-15-16(9-22)19(28-18(15)11-26)23-10-13-2-4-14(21)5-3-13/h2-5,8,23H,6-7,10-11H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,19,24,20,23,10,9,28,26,17,13,2,18,21,11,25,5,12,15,6,22,27,16,3,4,8,7,14/E:(2,3)(4,5)/rA:28CCNNCCONCCCCCSCNCCCCCFCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s11d15;s25;t26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.610,5.61,0.0,0.0,1.0,5.61,0.0
-FSUZUEKYUGYXHP_on_O00591_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_O14764_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P14867_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P18505_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P18507_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P28472_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P31644_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P34903_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P47869_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P47870_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P48169_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_P78334_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_Q16445_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSUZUEKYUGYXHP_on_Q99928_WT,Low,ChEMBL30,CHEMBL334805,N=c1ccc(-c2cscc2)nn1CCCC(=O)O,FSUZUEKYUGYXHP,FSUZUEKYUGYXHP-UHFFFAOYSA-N,"InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)","""AuxInfo=1/1/N:14,15,4,3,10,13,9,7,6,5,2,16,1,11,12,17,18,8/E:(16,17)/rA:18NCCCCCCSCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-FSWTYQZVIWUETC_on_P31644_WT,High,ChEMBL30,CHEMBL3681597,Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccncn2)no1,FSWTYQZVIWUETC,FSWTYQZVIWUETC-UHFFFAOYSA-N,"InChI=1S/C17H17N5O4/c1-11-13(16(22-26-11)14-4-5-18-10-21-14)9-25-15-3-2-12(8-20-15)17(24)19-6-7-23/h2-5,8,10,23H,6-7,9H2,1H3,(H,19,24)","""AuxInfo=1/1/N:1,8,7,20,21,13,14,16,4,23,2,9,3,19,6,18,10,22,12,17,24,25,15,11,5,26/rA:26CCCCOCCCCCONCCOCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-FSZLUOLWOZEJHB_on_O15399_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_O60391_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FSZLUOLWOZEJHB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194885,O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2,FSZLUOLWOZEJHB,FSZLUOLWOZEJHB-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c23-20-15-19(18-9-5-2-6-10-18)24-21(20)11-13-22(14-12-21)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2","""AuxInfo=1/0/N:20,8,19,21,7,9,18,22,6,10,13,24,14,23,3,16,17,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FTBGMXWQYKNAKT_on_P14867_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.090,9.09,0.0,0.0,1.0,9.09,0.0
-FTBGMXWQYKNAKT_on_P18507_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829006;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.700;  9.090;  9.680;  8.770,9.06,0.387,0.223,4.0,8.93,0.195
-FTBGMXWQYKNAKT_on_P28472_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770;  9.090;  8.700;  9.680,9.06,0.387,0.223,4.0,8.93,0.195
-FTBGMXWQYKNAKT_on_P31644_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.680,9.68,0.0,0.0,1.0,9.68,0.0
-FTBGMXWQYKNAKT_on_P34903_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-FTBGMXWQYKNAKT_on_P47869_WT,Low,ChEMBL30,CHEMBL361114,c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FTBGMXWQYKNAKT,FTBGMXWQYKNAKT-UHFFFAOYSA-N,"InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2","""AuxInfo=1/0/N:1,20,2,35,19,21,3,34,18,22,30,32,29,33,8,7,5,11,4,31,28,17,10,26,27,16,25,13,9,23,24,14,6,15,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35CCCCCNCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d16;s23;s15d24;s25;s13d26;s27;s28;s29;s26s30;s31;s28s32;s4;s1d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-FTBHFNJYFXSJEB_on_O15399_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FTBHFNJYFXSJEB_on_O60391_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FTBHFNJYFXSJEB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FTBHFNJYFXSJEB_on_Q05586_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746993;CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.210;  6.890;  6.310,6.1370000000000005,0.6970000000000001,0.493,3.0,6.31,0.58
-FTBHFNJYFXSJEB_on_Q12879_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890;  6.310,6.6,0.29,0.29,2.0,6.6,0.29
-FTBHFNJYFXSJEB_on_Q13224_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890;  5.210,6.05,0.84,0.84,2.0,6.05,0.84
-FTBHFNJYFXSJEB_on_Q14957_WT,Low,ChEMBL30,CHEMBL12546,O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12,FTBHFNJYFXSJEB,FTBHFNJYFXSJEB-UHFFFAOYSA-N,"InChI=1S/C15H14N3O5P/c19-13-14(20)18-12-10(7-4-8-11(12)17-13)15(24(21,22)23)16-9-5-2-1-3-6-9/h1-8,15-16H,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:10,9,11,15,8,12,14,16,7,13,17,24,19,21,5,6,18,23,20,22,1,3,4,2/E:(2,3)(5,6)(21,22,23)/rA:24OPOOCNCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s7d11;s5;d13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s13s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-FTBIKELKRQEAKY_on_P41594_WT,High,ChEMBL30,CHEMBL2151477,O=S(=O)(c1ccc(Cl)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,FTBIKELKRQEAKY,FTBIKELKRQEAKY-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N3O3S/c18-13-4-6-15(7-5-13)26(23,24)22-9-12(10-22)17-20-16(21-25-17)11-2-1-3-14(19)8-11/h1-8,12H,9-10H2","""AuxInfo=1/0/N:19,18,20,6,9,5,10,23,12,26,17,13,7,21,4,16,14,8,22,15,24,11,1,3,25,2/E:(4,5)(6,7)(9,10)(23,24)/CRV:26.6/rA:26OSOCCCCClCCNCCCNCCCCCCClCNOC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FTCBVBWNHHUMCA_on_P18507_WT,Low,ChEMBL30,CHEMBL4224740,COc1ccc(C(=O)C=Cc2cc(OC)ccc2O)cc1,FTCBVBWNHHUMCA,FTCBVBWNHHUMCA-UHFFFAOYSA-N,"InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3","""AuxInfo=1/0/N:1,15,5,20,10,4,21,16,9,17,12,6,11,3,13,7,18,8,19,2,14/E:(3,4)(6,7)/rA:21COCCCCCOCCCCCOCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;w?9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4219567;CHEMBL4219569,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  4.750;  5.120,4.935,0.185,0.185,2.0,4.935,0.185
-FTCBVBWNHHUMCA_on_P34903_WT,Low,ChEMBL30,CHEMBL4224740,COc1ccc(C(=O)C=Cc2cc(OC)ccc2O)cc1,FTCBVBWNHHUMCA,FTCBVBWNHHUMCA-UHFFFAOYSA-N,"InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3","""AuxInfo=1/0/N:1,15,5,20,10,4,21,16,9,17,12,6,11,3,13,7,18,8,19,2,14/E:(3,4)(6,7)/rA:21COCCCCCOCCCCCOCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;w?9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4219567,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-FTCBVBWNHHUMCA_on_P47869_WT,Low,ChEMBL30,CHEMBL4224740,COc1ccc(C(=O)C=Cc2cc(OC)ccc2O)cc1,FTCBVBWNHHUMCA,FTCBVBWNHHUMCA-UHFFFAOYSA-N,"InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3","""AuxInfo=1/0/N:1,15,5,20,10,4,21,16,9,17,12,6,11,3,13,7,18,8,19,2,14/E:(3,4)(6,7)/rA:21COCCCCCOCCCCCOCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;w?9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4219569,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-FTCBVBWNHHUMCA_on_P47870_WT,Low,ChEMBL30,CHEMBL4224740,COc1ccc(C(=O)C=Cc2cc(OC)ccc2O)cc1,FTCBVBWNHHUMCA,FTCBVBWNHHUMCA-UHFFFAOYSA-N,"InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3","""AuxInfo=1/0/N:1,15,5,20,10,4,21,16,9,17,12,6,11,3,13,7,18,8,19,2,14/E:(3,4)(6,7)/rA:21COCCCCCOCCCCCOCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;w?9;s10;d11;s12;s13;s14;d13;s16;s11d17;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4219569;CHEMBL4219567,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  5.120;  4.750,4.935,0.185,0.185,2.0,4.935,0.185
-FTDUCDNGVCWREJ_on_P41594_WT,High,ChEMBL30,CHEMBL3122206,CCN(CC)C(=O)c1nn(C)c2c1ncc(OCc1ccccn1)n2,FTDUCDNGVCWREJ,FTDUCDNGVCWREJ-UHFFFAOYSA-N,"InChI=1S/C17H20N6O2/c1-4-23(5-2)17(24)15-14-16(22(3)21-15)20-13(10-19-14)25-11-12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,21,22,20,23,15,18,19,16,13,8,12,6,24,14,25,9,10,3,7,17/E:(1,2)(4,5)/rA:25CCNCCCOCNNCCCNCCOCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-FTDUCDNGVCWREJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3122206,CCN(CC)C(=O)c1nn(C)c2c1ncc(OCc1ccccn1)n2,FTDUCDNGVCWREJ,FTDUCDNGVCWREJ-UHFFFAOYSA-N,"InChI=1S/C17H20N6O2/c1-4-23(5-2)17(24)15-14-16(22(3)21-15)20-13(10-19-14)25-11-12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,21,22,20,23,15,18,19,16,13,8,12,6,24,14,25,9,10,3,7,17/E:(1,2)(4,5)/rA:25CCNCCCOCNNCCCNCCOCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-FTIBNGABJNFFAI_on_O15399_WT,Low,ChEMBL30,CHEMBL3799213,N#CC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,FTIBNGABJNFFAI,FTIBNGABJNFFAI-UHFFFAOYSA-N,"InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2","""AuxInfo=1/0/N:4,27,24,2,16,3,15,5,19,25,28,6,7,13,20,8,26,21,22,23,9,10,11,1,14,18,17,30,29,12/E:(18,19,20)(21,22,23)/rA:30NCCCCCCCFFFSCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s8;s8;s7;s12;d13;s14;s15;s16;s17;d18;s19;s20;s20;s20;s19;s17d24;s25;d15;s27;d28;s6s13s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3801524,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-FTIBNGABJNFFAI_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799213,N#CC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,FTIBNGABJNFFAI,FTIBNGABJNFFAI-UHFFFAOYSA-N,"InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2","""AuxInfo=1/0/N:4,27,24,2,16,3,15,5,19,25,28,6,7,13,20,8,26,21,22,23,9,10,11,1,14,18,17,30,29,12/E:(18,19,20)(21,22,23)/rA:30NCCCCCCCFFFSCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s8;s8;s7;s12;d13;s14;s15;s16;s17;d18;s19;s20;s20;s20;s19;s17d24;s25;d15;s27;d28;s6s13s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515;CHEMBL3801522;CHEMBL3801524,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.680;  5.130;  5.210,6.007000000000001,1.1840000000000002,0.8370000000000001,3.0,5.21,0.08
-FTIBNGABJNFFAI_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799213,N#CC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,FTIBNGABJNFFAI,FTIBNGABJNFFAI-UHFFFAOYSA-N,"InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2","""AuxInfo=1/0/N:4,27,24,2,16,3,15,5,19,25,28,6,7,13,20,8,26,21,22,23,9,10,11,1,14,18,17,30,29,12/E:(18,19,20)(21,22,23)/rA:30NCCCCCCCFFFSCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s8;s8;s7;s12;d13;s14;s15;s16;s17;d18;s19;s20;s20;s20;s19;s17d24;s25;d15;s27;d28;s6s13s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-FTIBNGABJNFFAI_on_Q14957_WT,Low,ChEMBL30,CHEMBL3799213,N#CC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,FTIBNGABJNFFAI,FTIBNGABJNFFAI-UHFFFAOYSA-N,"InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2","""AuxInfo=1/0/N:4,27,24,2,16,3,15,5,19,25,28,6,7,13,20,8,26,21,22,23,9,10,11,1,14,18,17,30,29,12/E:(18,19,20)(21,22,23)/rA:30NCCCCCCCFFFSCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s8;s8;s7;s12;d13;s14;s15;s16;s17;d18;s19;s20;s20;s20;s19;s17d24;s25;d15;s27;d28;s6s13s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3801522,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-FTLHBGLRIYDJSQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936284,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC(F)(F)F)c(F)c3)n2)cc(C)n1,FTLHBGLRIYDJSQ,FTLHBGLRIYDJSQ-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(10-14(2)27-13)20-18-5-7-30-8-6-29(18)21(28-20)15-3-4-19(17(23)11-15)31-12-22(24,25)26/h3-4,9-11H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,7,11,8,10,3,28,26,19,2,29,14,4,24,6,17,5,13,20,25,21,22,23,31,27,12,9,18/E:(1,2)(9,10)(13,14)(24,25,26)/rA:31CCCCCCCCOCCNCCCCCOCCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s20;s20;s20;s17;s24;s14d24;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-FTLHBVVHYHDGPW_on_P41594_WT,High,ChEMBL30,CHEMBL594766,COc1c(Nc2ccc(Cl)cc2)ncc(C(=O)N2CCCCC2)c1,FTLHBVVHYHDGPW,FTLHBVVHYHDGPW-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c1-24-16-11-13(18(23)22-9-3-2-4-10-22)12-20-17(16)21-15-7-5-14(19)6-8-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,21,20,22,8,11,7,12,19,23,24,14,15,9,6,3,4,16,10,13,5,18,17,2/E:(3,4)(5,6)(7,8)(9,10)/rA:24COCCNCCCCClCCNCCCONCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;s4;d13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s3d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-FTNBPANQAKIJEL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3927236,CC1(C)CCN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)O1,FTNBPANQAKIJEL,FTNBPANQAKIJEL-UHFFFAOYSA-N,"InChI=1S/C19H17FN2O2/c1-19(2)10-11-22(18(23)24-19)17-9-8-15(13-21-17)7-6-14-4-3-5-16(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,9,8,4,5,19,20,13,10,17,7,22,2,18,21,6,23,24/E:(1,2)/rA:24CCCCCNCCCCCCCCCCCFCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-FTOMSWILLMUVLM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484403,CC1CN(Cc2ccc(-c3cncnc3)cc2)C(=O)O1,FTOMSWILLMUVLM,FTOMSWILLMUVLM-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-11-8-18(15(19)20-11)9-12-2-4-13(5-3-12)14-6-16-10-17-7-14/h2-7,10-11H,8-9H2,1H3","""AuxInfo=1/0/N:1,7,17,8,16,11,15,3,5,13,2,6,9,10,18,12,14,4,19,20/E:(2,3)(4,5)(6,7)(16,17)/rA:20CCCNCCCCCCCNCNCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s6d16;s4;d18;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-FTRQBCJXFUKHLT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3952827,CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cc(F)cc(C#N)c1,FTRQBCJXFUKHLT,FTRQBCJXFUKHLT-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O2/c1-15-12-27-20(10-19(25-27)14-29-21-5-3-2-4-6-21)13-26(15)22(28)17-7-16(11-24)8-18(23)9-17/h2-10,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,29,25,22,15,27,3,17,7,2,26,21,23,6,16,9,19,24,28,5,18,4,20,8/E:(3,4)(5,6)/rA:29CCCNNCCOCCCCCCCCCNCOCCCFCCCNC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s4d15;s16;s2s17;s18;d19;s19;d21;s22;s23;d23;s25;s26;t27;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-FTSUPYGMFAPCFZ_on_P41594_WT,Low,ChEMBL30,CHEMBL240773,CCCN1CCCC2Cc3c(cn[nH]3)CC21,FTSUPYGMFAPCFZ,FTSUPYGMFAPCFZ-UHFFFAOYSA-N,"InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,6,7,3,5,9,15,12,8,11,10,16,13,14,4/rA:16CCCNCCCCCCCCNNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s11;s4s8s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236722,PMID:30180563,2018.0,PMID:30180563,2018,0,1,0,0,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-FTVBSUKOMCKIJE_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800085,CCN(Cc1cc(=O)n2c(-c3cncnc3)c(C)sc2n1)c1ccc(F)cc1,FTVBSUKOMCKIJE,FTVBSUKOMCKIJE-UHFFFAOYSA-N,"InChI=1S/C20H18FN5OS/c1-3-25(17-6-4-15(21)5-7-17)11-16-8-18(27)26-19(13(2)28-20(26)24-16)14-9-22-12-23-10-14/h4-10,12H,3,11H2,1-2H3","""AuxInfo=1/0/N:1,18,2,24,27,23,28,6,12,16,4,14,17,11,25,5,22,7,10,20,26,13,15,21,3,9,8,19/E:(4,5)(6,7)(9,10)(22,23)/rA:28CCNCCCCONCCCNCNCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-FTVBSUKOMCKIJE_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800085,CCN(Cc1cc(=O)n2c(-c3cncnc3)c(C)sc2n1)c1ccc(F)cc1,FTVBSUKOMCKIJE,FTVBSUKOMCKIJE-UHFFFAOYSA-N,"InChI=1S/C20H18FN5OS/c1-3-25(17-6-4-15(21)5-7-17)11-16-8-18(27)26-19(13(2)28-20(26)24-16)14-9-22-12-23-10-14/h4-10,12H,3,11H2,1-2H3","""AuxInfo=1/0/N:1,18,2,24,27,23,28,6,12,16,4,14,17,11,25,5,22,7,10,20,26,13,15,21,3,9,8,19/E:(4,5)(6,7)(9,10)(22,23)/rA:28CCNCCCCONCCCNCNCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s17;s9s19;s5d20;s3;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-FTVHYJPUDBNLFI_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL186018;11951806,CCCc1c2ccn(CC3CCCCC3)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,FTVHYJPUDBNLFI,FTVHYJPUDBNLFI-UHFFFAOYSA-N,"InChI=1S/C29H37N5O2/c1-2-8-26-25-17-18-34(21-22-9-4-3-5-10-22)27(25)15-16-28(26)36-20-7-6-19-35-24-13-11-23(12-14-24)29-30-32-33-31-29/h11-18,22H,2-10,19-21H2,1H3,(H,30,31,32,33)","""AuxInfo=1/1/N:1,2,13,12,14,23,22,3,11,15,28,35,27,36,17,18,6,7,24,21,9,10,29,26,5,4,16,19,30,31,34,32,33,8,25,20/E:(4,5)(9,10)(11,12)(13,14)(30,31)(32,33)/rA:36CCCCCCCNCCCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;s10s14;s5s8;d16;s17;s4d18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;d30;s31;s32;s30d33;s29;s26d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  6.640;  6.642,6.641,0.001,0.001,2.0,6.641,0.001
-FTVZQBRZEPGBCB_on_P41594_WT,High,ChEMBL30,CHEMBL4081358,O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,FTVZQBRZEPGBCB,FTVZQBRZEPGBCB-UHFFFAOYSA-N,"InChI=1S/C21H11ClF3NO2S/c22-17-10-15(6-8-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,5,20,6,16,11,13,23,26,17,4,21,9,7,15,12,22,10,27,18,8,14,1,3,2/E:(1,2)(3,4)(27,28)/CRV:29.6/rA:29OSOCCCCFCClCCCNCCCFCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-FTXVGNKOUJOOHU_on_O15399_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_O60391_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_Q05586_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_Q12879_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_Q13224_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTXVGNKOUJOOHU_on_Q14957_WT,Low,ChEMBL30,CHEMBL131610,CCNC12CC3CC(C)(CC(C)(C3)C1)C2,FTXVGNKOUJOOHU,FTXVGNKOUJOOHU-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-4-15-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11,15H,4-10H2,1-3H3","""AuxInfo=1/0/N:1,9,12,2,7,13,5,10,15,14,6,8,11,4,3/E:(2,3)(5,6)(9,10)(12,13)/rA:15CCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-FTYFZVAIHWGNGW_on_P41594_WT,High,ChEMBL30,CHEMBL2431412,Cc1cccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1,FTYFZVAIHWGNGW,FTYFZVAIHWGNGW-UHFFFAOYSA-N,"InChI=1S/C27H27N5O/c1-21-8-7-11-23(18-21)24-19-32(27(29-24)22-9-3-2-4-10-22)20-26(33)31-16-14-30(15-17-31)25-12-5-6-13-28-25/h2-13,18-19H,14-17,20H2,1H3","""AuxInfo=1/0/N:1,29,28,30,19,20,4,3,27,31,5,18,21,15,23,14,24,33,8,10,2,26,6,7,17,11,25,22,32,16,13,9,12/E:(3,4)(9,10)(14,15)(16,17)/rA:33CCCCCCCCNCCONCCNCCCCCNCCCCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;s9;s25;d26;s27;d28;s29;s26d30;s7d25;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-FUANMJYCVDVCLW_on_O15399_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_O60391_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_Q05586_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_Q12879_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_Q13224_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUANMJYCVDVCLW_on_Q14957_WT,Low,ChEMBL30,CHEMBL289756,Oc1nc2c(cccn2)c(O)c1-c1ccccc1,FUANMJYCVDVCLW,FUANMJYCVDVCLW-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-12-10-7-4-8-15-13(10)16-14(18)11(12)9-5-2-1-3-6-9/h1-8H,(H2,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,7,14,18,6,8,13,5,12,10,4,2,9,3,11,1/E:(2,3)(5,6)/rA:18OCNCCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FUFFYPVLIHLULJ_on_P14867_WT,Low,ChEMBL30,CHEMBL595673,COc1ccc(C2Oc3c(cc(OC)cc3)CC2OC(C)=O)cc1,FUFFYPVLIHLULJ,FUFFYPVLIHLULJ-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-11-14-10-16(22-3)8-9-17(14)24-19(18)13-4-6-15(21-2)7-5-13/h4-10,18-19H,11H2,1-3H3","""AuxInfo=1/0/N:21,1,14,5,23,4,24,15,16,11,17,20,6,10,3,12,9,18,7,22,2,13,19,8/E:(4,5)(6,7)/rA:24COCCCCCOCCCCOCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s12;s9d15;s10;s7s17;s18;s19;s20;d20;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-FUFFYPVLIHLULJ_on_P18507_WT,Low,ChEMBL30,CHEMBL595673,COc1ccc(C2Oc3c(cc(OC)cc3)CC2OC(C)=O)cc1,FUFFYPVLIHLULJ,FUFFYPVLIHLULJ-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-11-14-10-16(22-3)8-9-17(14)24-19(18)13-4-6-15(21-2)7-5-13/h4-10,18-19H,11H2,1-3H3","""AuxInfo=1/0/N:21,1,14,5,23,4,24,15,16,11,17,20,6,10,3,12,9,18,7,22,2,13,19,8/E:(4,5)(6,7)/rA:24COCCCCCOCCCCOCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s12;s9d15;s10;s7s17;s18;s19;s20;d20;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-FUFFYPVLIHLULJ_on_P47870_WT,Low,ChEMBL30,CHEMBL595673,COc1ccc(C2Oc3c(cc(OC)cc3)CC2OC(C)=O)cc1,FUFFYPVLIHLULJ,FUFFYPVLIHLULJ-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-11-14-10-16(22-3)8-9-17(14)24-19(18)13-4-6-15(21-2)7-5-13/h4-10,18-19H,11H2,1-3H3","""AuxInfo=1/0/N:21,1,14,5,23,4,24,15,16,11,17,20,6,10,3,12,9,18,7,22,2,13,19,8/E:(4,5)(6,7)/rA:24COCCCCCOCCCCOCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s12;s9d15;s10;s7s17;s18;s19;s20;d20;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-FUKWBBBWJYHPRK_on_Q14833_WT,High,ChEMBL30,CHEMBL1208800,Nc1nccc(C=Cc2ccccc2F)n1,FUKWBBBWJYHPRK,FUKWBBBWJYHPRK-UHFFFAOYSA-N,"InChI=1S/C12H10FN3/c13-11-4-2-1-3-9(11)5-6-10-7-8-15-12(14)16-10/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:11,12,10,13,8,7,5,4,9,6,14,2,15,1,3,16/rA:16NCNCCCCCCCCCCCFN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s14;s2d6;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-FUKYFQPZXXJKKS_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2426607;CHEMBL2426607;53246605,O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1ccc(F)cc1)s2,FUKYFQPZXXJKKS,FUKYFQPZXXJKKS-UHFFFAOYSA-N,"InChI=1S/C19H14F2N2O2S/c20-12-1-5-14(6-2-12)23-10-9-16-18(19(23)24)26-17(22-16)11-25-15-7-3-13(21)4-8-15/h1-8H,9-11H2","""AuxInfo=1/0/N:10,13,21,24,9,14,20,25,5,6,17,11,22,8,19,4,16,3,2,12,23,15,7,1,18,26/E:(1,2)(3,4)(5,6)(7,8)/rA:26OCCCCCNCCCCFCCNCCOCCCCFCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s22;s19d24;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PMID:23947773;PubChemAID:770257,2013;2013;2014,0,1;1;0,0,0,0;0;1,,=,  6.130;  6.130;  6.131,6.13,0.0,0.0,3.0,6.13,0.0
-FUXJRPCONXOULZ_on_P41594_WT,High,ChEMBL30,CHEMBL182558,N#Cc1cccc(-n2ccc(-c3ncccc3)n2)c1,FUXJRPCONXOULZ,FUXJRPCONXOULZ-UHFFFAOYSA-N,InChI=1S/C15H10N4/c16-11-12-4-3-5-13(10-12)19-9-7-15(18-19)14-6-1-2-8-17-14/h1-10H,"""AuxInfo=1/0/N:16,15,5,4,6,17,10,14,9,19,2,3,7,12,11,1,13,18,8/rA:19NCCCCCCNCCCCNCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-FUYBRODSYMQDNF_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,57459483;CHEMBL2179331,CCCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,FUYBRODSYMQDNF,FUYBRODSYMQDNF-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-2-6-20-23-24-21-18(15-22)19(11-14-26(20)21)25-12-9-17(10-13-25)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,3,17,21,14,22,24,13,23,25,9,16,15,8,11,4,7,10,5,6,12,26/E:(4,5)(7,8)(9,10)(12,13)/rA:26CCCCNNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s11;d24;s4s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482,PMID:23072213,2012.0,PubChemAID:711294;PMID:23072213,2013;2012,0,0;1,0,0,1;0,,=,  6.524;  6.520,6.522,0.002,0.002,2.0,6.522,0.002
-FVADWXKWYJAGND_on_P18507_WT,Low,ChEMBL30,CHEMBL1081139,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(OC(F)(F)F)cc4)-c3n2)c1,FVADWXKWYJAGND,FVADWXKWYJAGND-UHFFFAOYSA-N,"InChI=1S/C19H15F3N6O2/c1-10-5-13(30-26-10)7-17-24-18-14-6-12(29-19(20,21)22)3-4-15(14)27-9-23-11(2)16(27)8-28(18)25-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,26,27,30,19,6,10,15,2,12,20,5,18,17,11,7,28,22,23,24,25,14,29,8,3,16,9,21,4/E:(20,21,22)/rA:30CCNOCCCNNCCCCNCNCCCCOCFFFCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;s9s18;s7d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-FVADWXKWYJAGND_on_P28472_WT,Low,ChEMBL30,CHEMBL1081139,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(OC(F)(F)F)cc4)-c3n2)c1,FVADWXKWYJAGND,FVADWXKWYJAGND-UHFFFAOYSA-N,"InChI=1S/C19H15F3N6O2/c1-10-5-13(30-26-10)7-17-24-18-14-6-12(29-19(20,21)22)3-4-15(14)27-9-23-11(2)16(27)8-28(18)25-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,26,27,30,19,6,10,15,2,12,20,5,18,17,11,7,28,22,23,24,25,14,29,8,3,16,9,21,4/E:(20,21,22)/rA:30CCNOCCCNNCCCCNCNCCCCOCFFFCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;s9s18;s7d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-FVADWXKWYJAGND_on_P31644_WT,Low,ChEMBL30,CHEMBL1081139,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(OC(F)(F)F)cc4)-c3n2)c1,FVADWXKWYJAGND,FVADWXKWYJAGND-UHFFFAOYSA-N,"InChI=1S/C19H15F3N6O2/c1-10-5-13(30-26-10)7-17-24-18-14-6-12(29-19(20,21)22)3-4-15(14)27-9-23-11(2)16(27)8-28(18)25-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,26,27,30,19,6,10,15,2,12,20,5,18,17,11,7,28,22,23,24,25,14,29,8,3,16,9,21,4/E:(20,21,22)/rA:30CCNOCCCNNCCCCNCNCCCCOCFFFCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;s9s18;s7d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-FVEMCIWDFQNRAM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71451554;CHEMBL2164540,NC(=O)c1ccccc1-c1nc(-c2ccccn2)no1,FVEMCIWDFQNRAM,FVEMCIWDFQNRAM-UHFFFAOYSA-N,"InChI=1S/C14H10N4O2/c15-12(19)9-5-1-2-6-10(9)14-17-13(18-20-14)11-7-3-4-8-16-11/h1-8H,(H2,15,19)","""AuxInfo=1/1/N:6,7,15,16,5,8,14,17,4,9,13,2,12,10,1,18,11,19,3,20/rA:20NCOCCCCCCCNCCCCCCNNO/rB:s1;d2;s2;d4;s5;d6;s7;s4d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s10s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:697343;CHEMBL2166999,PMID:23046966,2012.0,PubChemAID:697343;PMID:23046966,2013;2012,0;1,0,0,0,1;0,,=,  5.481;  5.480,5.481,0.0,0.0,2.0,5.481,0.0
-FVEOBLKOMQNQJN_on_P41594_WT,High,ChEMBL30,CHEMBL223399,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCCC2)c1=O,FVEOBLKOMQNQJN,FVEOBLKOMQNQJN-UHFFFAOYSA-N,"InChI=1S/C19H24N4OS/c1-22(2)14-10-11-20-18-15(14)16-17(25-18)19(24)23(12-21-16)13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,17,23,9,8,14,16,4,5,12,11,6,24,7,13,2,15,25,10/E:(1,2)(4,5)(6,7)(8,9)/rA:25CNCCCCNCCSCCNCNCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s16s22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-FVEOBLKOMQNQJN_on_Q13255_WT,High,ChEMBL30,CHEMBL223399,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCCC2)c1=O,FVEOBLKOMQNQJN,FVEOBLKOMQNQJN-UHFFFAOYSA-N,"InChI=1S/C19H24N4OS/c1-22(2)14-10-11-20-18-15(14)16-17(25-18)19(24)23(12-21-16)13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,17,23,9,8,14,16,4,5,12,11,6,24,7,13,2,15,25,10/E:(1,2)(4,5)(6,7)(8,9)/rA:25CNCCCCNCCSCCNCNCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s16s22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-FVERYMXRPUFAJS_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70683518;CHEMBL2023471,CC(=O)N1CCN(CCOc2ccc3c(-c4cn(-c5ccccc5)nc4)ccnc3c2)CC1,FVERYMXRPUFAJS,FVERYMXRPUFAJS-UHFFFAOYSA-N,"InChI=1S/C26H27N5O2/c1-20(32)30-13-11-29(12-14-30)15-16-33-23-7-8-25-24(9-10-27-26(25)17-23)21-18-28-31(19-21)22-5-3-2-4-6-22/h2-10,17-19H,11-16H2,1H3","""AuxInfo=1/0/N:1,22,21,23,20,24,12,13,27,28,6,32,5,33,8,9,31,26,17,2,16,19,11,15,14,30,29,25,7,4,18,3,10/E:(3,4)(5,6)(11,12)(13,14)/rA:33CCONCCNCCOCCCCCCCNCCCCCCNCCCNCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s18;s16d25;d15;s27;d28;s14s29;s11d30;s7;s4s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  6.161;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-FVFFDKKTXYVCCW_on_O00591_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_O14764_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_P14867_WT,Medium,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-FVFFDKKTXYVCCW_on_P18505_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_P18507_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273618;CHEMBL678329;CHEMBL1273619;CHEMBL1273615;CHEMBL681248;CHEMBL822162;CHEMBL681480;CHEMBL682251;CHEMBL685337;CHEMBL824294;CHEMBL823761;CHEMBL1273616;CHEMBL650075;CHEMBL1273617,PMID:9435905,1997.0,PMID:20888240;PMID:10633039;PMID:20888240;PMID:20888240;PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:20888240;PMID:9435905;PMID:20888240,2010;2000;2010;2010;2000;1998;2000;2000;1998;1998;1998;2010;1997;2010,0;0;0;0;0;0;0;0;0;0;0;0;1;0,0,0,1;1;1;1;1;1;1;1;1;1;1;1;0;1,0,,=,  6.000;  9.140;  6.960;  9.140;  7.820;  9.140;  6.960;  7.720;  6.960;  7.820;  7.720;  7.820;  8.000;  7.720,7.78,0.878,0.244,14.0,7.77,0.52
-FVFFDKKTXYVCCW_on_P28472_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL824294;CHEMBL682251;CHEMBL823761;CHEMBL678329;CHEMBL822162;CHEMBL1273619;CHEMBL1273616;CHEMBL1273617;CHEMBL1273615;CHEMBL1273618;CHEMBL650075;CHEMBL681248;CHEMBL685337,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:10633039;PMID:9651158;PMID:10633039;PMID:9651158;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9435905;PMID:10633039;PMID:9651158,2000;1998;2000;1998;2000;1998;2010;2010;2010;2010;2010;1997;2000;1998,0;0;0;0;0;0;0;0;0;0;0;1;0;0,0,0,1;1;1;1;1;1;1;1;1;1;1;0;1;1,0,,=,  6.960;  7.820;  7.720;  7.720;  9.140;  9.140;  6.960;  7.820;  7.720;  9.140;  6.000;  8.000;  7.820;  6.960,7.78,0.878,0.244,14.0,7.77,0.52
-FVFFDKKTXYVCCW_on_P31644_WT,Medium,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-FVFFDKKTXYVCCW_on_P34903_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823761;CHEMBL650075;CHEMBL1273617,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:9435905;PMID:20888240,2000;1998;1997;2010,0;0;1;0,0,0,1;1;0;1,0,,=,  7.720;  7.720;  8.000;  7.720,7.79,0.121,0.07,4.0,7.72,0.0
-FVFFDKKTXYVCCW_on_P47869_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616;CHEMBL681248;CHEMBL824294;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:10633039;PMID:9651158;PMID:9435905,2010;2000;1998;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  7.820;  7.820;  7.820;  8.000,7.865,0.078,0.045,4.0,7.82,0.0
-FVFFDKKTXYVCCW_on_P47870_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_P48169_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  6.000;  8.000,7.0,1.0,1.0,2.0,7.0,1.0
-FVFFDKKTXYVCCW_on_P78334_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_Q16445_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVFFDKKTXYVCCW_on_Q99928_WT,Low,ChEMBL30,CHEMBL307783,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,FVFFDKKTXYVCCW,FVFFDKKTXYVCCW-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,18,20,10,14,19,13,8,11,6,2,9,12,7,5/E:(1,2,3)/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-FVHKIGHCUWTXCC_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013195,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1,FVHKIGHCUWTXCC,FVHKIGHCUWTXCC-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)","""AuxInfo=1/1/N:11,21,10,12,20,22,9,13,4,3,19,23,17,8,16,5,2,15,7,6,14,18,1/E:(3,4)(5,6)(7,8)(11,12)/rA:23OCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013398;CHEMBL2013397,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  7.000;  7.000,7.0,0.0,0.0,2.0,7.0,0.0
-FVHKIGHCUWTXCC_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013195;1394668,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1,FVHKIGHCUWTXCC,FVHKIGHCUWTXCC-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)","""AuxInfo=1/1/N:11,21,10,12,20,22,9,13,4,3,19,23,17,8,16,5,2,15,7,6,14,18,1/E:(3,4)(5,6)(7,8)(11,12)/rA:23OCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-FVHRTMALRHTFIM_on_Q13255_WT,High,ChEMBL30,CHEMBL3785321,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)occ1,FVHRTMALRHTFIM,FVHRTMALRHTFIM-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N2O3/c1-11-7-8-27-18(11)19(25)23-12-5-6-17(16(22)9-12)24-10-14-13(20(24)26)3-2-4-15(14)21/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,24,23,27,26,8,13,2,7,15,14,19,9,11,3,4,21,20,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCClCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.750;  6.680,6.715,0.035,0.035,2.0,6.715,0.035
-FVHRTMALRHTFIM_on_Q14833_WT,Low,ChEMBL30,CHEMBL3785321,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)occ1,FVHRTMALRHTFIM,FVHRTMALRHTFIM-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N2O3/c1-11-7-8-27-18(11)19(25)23-12-5-6-17(16(22)9-12)24-10-14-13(20(24)26)3-2-4-15(14)21/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,24,23,27,26,8,13,2,7,15,14,19,9,11,3,4,21,20,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCClCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3790240,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FVIWEOUHYRAQKY_on_P14867_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111365,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-FVIWEOUHYRAQKY_on_P18507_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111366;CHEMBL1111365;CHEMBL1111355;CHEMBL1111367,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.660;  7.750;  8.520;  6.580,7.377999999999999,0.805,0.465,4.0,7.205,0.585
-FVIWEOUHYRAQKY_on_P28472_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111365;CHEMBL1111366;CHEMBL1111367;CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.750;  6.660;  6.580;  8.520,7.377999999999999,0.805,0.465,4.0,7.205,0.585
-FVIWEOUHYRAQKY_on_P31644_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-FVIWEOUHYRAQKY_on_P34903_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111367,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-FVIWEOUHYRAQKY_on_P47869_WT,Low,ChEMBL30,CHEMBL1077381,Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,FVIWEOUHYRAQKY,FVIWEOUHYRAQKY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCClCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-FVJGEXBZYKDBJF_on_P31644_WT,High,ChEMBL30,CHEMBL3681613,COCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,FVJGEXBZYKDBJF,FVJGEXBZYKDBJF-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O4/c1-25-9-8-21-19(24)14-4-7-17(22-10-14)26-11-15-12-27-23-18(15)13-2-5-16(20)6-3-13/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,20,25,9,21,24,10,4,3,27,13,15,19,8,14,22,11,18,6,23,5,26,17,7,2,12,16/E:(2,3)(5,6)/rA:27COCCNCOCCCCOCCCONCCCCCFCCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-FVKWKGFWNCNANR_on_O00222_WT,High,ChEMBL30,CHEMBL4088251,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O,FVKWKGFWNCNANR,FVKWKGFWNCNANR-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-8(13(18)19)9(14)5-6/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,13,17,20,8,1,14,18,21,22,9,15,16,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCN+OO-COCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s10d17;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-FVKWKGFWNCNANR_on_Q14833_WT,High,ChEMBL30,CHEMBL4088251,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O,FVKWKGFWNCNANR,FVKWKGFWNCNANR-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-8(13(18)19)9(14)5-6/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,13,17,20,8,1,14,18,21,22,9,15,16,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCN+OO-COCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s10d17;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-FVLVVJPWTSTRCM_on_P14867_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-FVLVVJPWTSTRCM_on_P18507_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL830420;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150;  6.800;  7.700;  7.000,7.412000000000001,0.541,0.312,4.0,7.35,0.45
-FVLVVJPWTSTRCM_on_P28472_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150;  7.000;  7.700;  6.800,7.412999999999999,0.541,0.313,4.0,7.35,0.45
-FVLVVJPWTSTRCM_on_P31644_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-FVLVVJPWTSTRCM_on_P34903_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-FVLVVJPWTSTRCM_on_P47869_WT,Low,ChEMBL30,CHEMBL360311,c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,FVLVVJPWTSTRCM,FVLVVJPWTSTRCM-UHFFFAOYSA-N,"InChI=1S/C30H27N5O2/c1-3-8-20(9-4-1)18-36-25-12-7-17-31-24(25)19-37-30-27-22-15-13-21(14-16-22)26(27)29-33-32-28(35(29)34-30)23-10-5-2-6-11-23/h1-12,17,21-22H,13-16,18-19H2","""AuxInfo=1/0/N:1,22,2,37,21,23,9,3,36,20,24,8,32,34,31,35,10,5,13,4,33,30,19,12,7,28,29,18,27,15,11,25,26,16,17,6,14/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:37CCCCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s17d26;s27;s15d28;s29;s30;s31;s28s32;s33;s30s34;s4;s1d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-FVNHMHIVPIUGPW_on_O15399_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_O60391_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_Q05586_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_Q12879_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVNHMHIVPIUGPW_on_Q14957_WT,Low,ChEMBL30,CHEMBL1178994,N=C(N)NN=Cc1cc2c(cc1)OCO2,FVNHMHIVPIUGPW,FVNHMHIVPIUGPW-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,11,8,6,14,7,10,9,2,1,3,5,4,13,15/E:(10,11)/rA:15NCNNNCCCCCCCOCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.410,4.41,0.0,0.0,1.0,4.41,0.0
-FVWJGCNGOYKLND_on_Q05586_WT,Medium,ChEMBL30,CHEMBL349729,O=C(O)c1c(CN2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,FVWJGCNGOYKLND,FVWJGCNGOYKLND-UHFFFAOYSA-N,"InChI=1S/C19H11Cl4N3O4/c20-8-1-9(21)3-11(2-8)26-15(27)7-25(19(26)30)6-12-16-13(23)4-10(22)5-14(16)24-17(12)18(28)29/h1-5,24H,6-7H2,(H,28,29)","""AuxInfo=1/1/N:16,13,19,27,24,6,8,14,17,25,12,5,28,23,9,22,4,2,20,15,18,26,29,30,7,11,10,1,3,21/E:(2,3)(8,9)(20,21)(28,29)/rA:30OCOCCCNCCONCCCClCCClCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;s7s11;d20;s5;d22;s23;d24;s25;s25;s22d27;s28;s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FVYBXACUKLZYDM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,51357937;CHEMBL1774233,CC1CN(Cc2nc3c(cccn3)n2C)CCC1c1ccc(C(F)(F)F)cc1F,FVYBXACUKLZYDM,FVYBXACUKLZYDM-UHFFFAOYSA-N,"InChI=1S/C21H22F4N4/c1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,15,11,10,21,20,17,12,16,27,3,5,2,22,18,19,28,9,6,8,23,29,24,25,26,13,7,14,4/E:(23,24,25)/rA:29CCCNCCNCCCCCNNCCCCCCCCCFFFCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s14;s4;s16;s2s17;s18;d19;s20;d21;s22;s23;s23;s23;s22;s19d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:595540;CHEMBL1776061,PMID:21366332,2011.0,PubChemAID:595540;PMID:21366332,2012;2011,0,0;1,0,0,1;0,,=,  8.523;  8.520,8.521,0.002,0.002,2.0,8.521,0.002
-FVYXIJYOAGAUQK_on_P14867_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619100;CHEMBL1816622;CHEMBL1816621;CHEMBL1816618,PMID:21699169,2011.0,PMID:26410663;PMID:21699169;PMID:21699169;PMID:21699169,2015;2011;2011;2011,0,1,0,0,0,,=,  4.120;  4.220;  4.240;  4.410,4.248,0.10400000000000001,0.06,4.0,4.23,0.06
-FVYXIJYOAGAUQK_on_P18505_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1816621,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-FVYXIJYOAGAUQK_on_P18507_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.120,4.12,0.0,0.0,1.0,4.12,0.0
-FVYXIJYOAGAUQK_on_P28472_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1816622,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-FVYXIJYOAGAUQK_on_P31644_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1816887,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.630,4.63,0.0,0.0,1.0,4.63,0.0
-FVYXIJYOAGAUQK_on_P34903_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1816886,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-FVYXIJYOAGAUQK_on_P47869_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1816623,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.330,4.33,0.0,0.0,1.0,4.33,0.0
-FVYXIJYOAGAUQK_on_P47870_WT,Low,ChEMBL30,CHEMBL16901,C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1,FVYXIJYOAGAUQK,FVYXIJYOAGAUQK-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,18,2,17,3,16,5,11,6,12,20,19,4,10,15,9,13,7,14,8/rA:20CCCCCCCOCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s13;s15;s16;d17;s10d15;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619100;CHEMBL1816887;CHEMBL1816618;CHEMBL1816623;CHEMBL1816886,PMID:21699169,2011.0,PMID:26410663;PMID:21699169;PMID:21699169;PMID:21699169;PMID:21699169,2015;2011;2011;2011;2011,0,1,0,0,0,,=,  4.120;  4.630;  4.410;  4.330;  4.280,4.354,0.16699999999999998,0.084,5.0,4.33,0.08
-FWDLSFOLXLYANW_on_P41594_WT,Low,ChEMBL30,CHEMBL2071583,O=C1CC(c2nc(-c3cc(C(F)(F)F)ccc3)no2)CN1c1ccc(F)cc1,FWDLSFOLXLYANW,FWDLSFOLXLYANW-UHFFFAOYSA-N,"InChI=1S/C19H13F4N3O2/c20-14-4-6-15(7-5-14)26-10-12(9-16(26)27)18-24-17(25-28-18)11-2-1-3-13(8-11)19(21,22)23/h1-8,12H,9-10H2","""AuxInfo=1/0/N:16,17,15,24,27,23,28,9,3,20,8,4,10,25,22,2,7,5,11,26,12,13,14,6,18,21,1,19/E:(4,5)(6,7)(21,22,23)/rA:28OCCCCNCCCCCFFFCCCNOCNCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;s10;s11;s11;s11;d10;s15;s8d16;d7;s5s18;s4;s2s20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FWDRMAAPXRQEDA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL39215,NC1(C(=O)O)CC2CCC1C2C(=O)O,FWDRMAAPXRQEDA,FWDRMAAPXRQEDA-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-9(8(13)14)3-4-1-2-5(9)6(4)7(11)12/h4-6H,1-3,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,7,10,11,12,3,2,1,13,14,4,5/E:(11,12)(13,14)/rA:14NCCOOCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s2s9;s7s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL709765,DOI:10.1016/0960-894X(95)00457-5,1995.0,DOI:10.1016/0960-894X(95)00457-5,1995,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-FWIJBEUOLZFYCE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3983978,Fc1cc(F)c(Nc2c3ncccc3n[nH]2)cc1Cl,FWIJBEUOLZFYCE,FWIJBEUOLZFYCE-UHFFFAOYSA-N,"InChI=1S/C12H7ClF2N4/c13-6-4-10(8(15)5-7(6)14)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)","""AuxInfo=1/1/N:12,13,11,17,3,18,2,4,14,6,9,8,19,1,5,10,7,15,16/rA:19FCCCFCNCCNCCCCNNCCCl/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s2d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-FWIWSPGYSIRQPP_on_Q13255_WT,High,ChEMBL30,CHEMBL3785210,Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c3cccc4)cc2)occ1,FWIWSPGYSIRQPP,FWIWSPGYSIRQPP-UHFFFAOYSA-N,"InChI=1S/C20H17ClN2O2/c1-13-9-11-25-19(13)20(24)22-15-6-7-18(16(21)12-15)23-10-8-14-4-2-3-5-17(14)23/h2-7,9,11-12H,8,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,18,20,17,22,21,14,25,13,24,8,2,15,7,9,16,11,3,4,10,6,12,5,23/rA:25CCCCONCCCClCNCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;s12d15;s16;d17;s18;s15d19;s11;s7d21;s3;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.240;  5.240,5.24,0.0,0.0,2.0,5.24,0.0
-FWKHOJIWABTESL_on_P14867_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-FWKHOJIWABTESL_on_P18507_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.570;  7.770;  7.770;  7.390,7.875,0.43,0.248,4.0,7.77,0.19
-FWKHOJIWABTESL_on_P28472_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL681841;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.390;  7.770;  7.770;  8.570,7.875,0.43,0.248,4.0,7.77,0.19
-FWKHOJIWABTESL_on_P31644_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-FWKHOJIWABTESL_on_P34903_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-FWKHOJIWABTESL_on_P47869_WT,Low,ChEMBL30,CHEMBL301181,c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1,FWKHOJIWABTESL,FWKHOJIWABTESL-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2","""AuxInfo=1/0/N:1,13,2,28,14,12,23,22,3,27,24,15,11,21,18,4,19,9,10,5,8,16,20,6,7,25,26,17/E:(3,4)(9,10)/rA:28CCCCCNNCCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s9s14;s10;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-FWQQWRMZPAVZRS_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830700,c1cc(Nc2nc3c(CCc4n[nH]cc4-3)s2)ccn1,FWQQWRMZPAVZRS,FWQQWRMZPAVZRS-UHFFFAOYSA-N,"InChI=1S/C13H11N5S/c1-2-11-12(9-7-15-18-10(1)9)17-13(19-11)16-8-3-5-14-6-4-8/h3-7H,1-2H2,(H,15,18)(H,14,16,17)","""AuxInfo=1/1/N:10,9,2,17,1,18,14,3,15,11,8,7,5,19,13,4,6,12,16/E:(3,4)(5,6)/rA:19CCCNCNCCCCCNNCCSCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;s7s11d14;s5s8;d3;s17;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FWRRYSDIXATUJY_on_P41594_WT,High,ChEMBL30,CHEMBL3928906,N#Cc1c(-c2ccccc2)c2c(-c3ccc(Cl)cc3)[nH]nc2nc1-c1ccccc1,FWRRYSDIXATUJY,FWRRYSDIXATUJY-UHFFFAOYSA-N,"InChI=1S/C25H15ClN4/c26-19-13-11-18(12-14-19)24-22-21(16-7-3-1-4-8-16)20(15-27)23(28-25(22)30-29-24)17-9-5-2-6-10-17/h1-14H,(H,28,29,30)","""AuxInfo=1/1/N:8,28,7,9,27,29,6,10,26,30,14,19,15,18,2,5,25,13,16,3,4,11,24,12,22,17,1,23,20,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30NCCCCCCCCCCCCCCCClCCNNCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;d15;s16;s16;s13d18;s12;s20;s11d21;s22;s3d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-FWRUVQJJRZNKPE_on_Q13255_WT,Medium,ChEMBL30,CHEMBL428850,COCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1,FWRUVQJJRZNKPE,FWRUVQJJRZNKPE-UHFFFAOYSA-N,"InChI=1S/C18H26N2O4/c1-10-15(11(2)20-16(10)17(21)19-6-7-23-3)18(22)24-14-9-12-4-5-13(14)8-12/h12-14,20H,4-9H2,1-3H3,(H,19,21)","""AuxInfo=1/1/N:10,23,1,18,19,4,3,21,16,9,22,17,20,15,11,8,6,12,5,24,7,13,2,14/rA:24COCCNCOCCCCCOOCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s17s20;d11;s22;s8s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-FWTLOBMVRJQGSN_on_P18505_WT,Low,ChEMBL30,CHEMBL4249205,O=C1c2c(cccc2)C(=O)N1CC(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2,FWTLOBMVRJQGSN,FWTLOBMVRJQGSN-UHFFFAOYSA-N,"InChI=1S/C22H23F2NO4/c23-22(24,20(29)21-8-12-5-13(9-21)7-14(6-12)10-21)17(26)11-25-18(27)15-3-1-2-4-16(15)19(25)28/h1-4,12-14,17,26H,5-11H2","""AuxInfo=1/0/N:6,7,5,8,23,25,27,29,21,28,12,24,22,26,4,3,13,9,2,18,20,15,16,17,11,14,10,1,19/E:(1,2)(3,4)(5,6,7)(8,9,10)(12,13,14)(15,16)(18,19)(23,24)(27,28)/rA:29OCCCCCCCCONCCOCFFCOCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s13;s15;s15;s15;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;s20s26;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FWTLOBMVRJQGSN_on_P47870_WT,Low,ChEMBL30,CHEMBL4249205,O=C1c2c(cccc2)C(=O)N1CC(O)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2,FWTLOBMVRJQGSN,FWTLOBMVRJQGSN-UHFFFAOYSA-N,"InChI=1S/C22H23F2NO4/c23-22(24,20(29)21-8-12-5-13(9-21)7-14(6-12)10-21)17(26)11-25-18(27)15-3-1-2-4-16(15)19(25)28/h1-4,12-14,17,26H,5-11H2","""AuxInfo=1/0/N:6,7,5,8,23,25,27,29,21,28,12,24,22,26,4,3,13,9,2,18,20,15,16,17,11,14,10,1,19/E:(1,2)(3,4)(5,6,7)(8,9,10)(12,13,14)(15,16)(18,19)(23,24)(27,28)/rA:29OCCCCCCCCONCCOCFFCOCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s13;s15;s15;s15;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;s20s26;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FWUQWDCOOWEXRY_on_O15399_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_O60391_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_Q05586_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_Q12879_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_Q13224_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWUQWDCOOWEXRY_on_Q14957_WT,Low,ChEMBL30,CHEMBL467084,NC(Cc1ncccc1)c1ccccc1,FWUQWDCOOWEXRY,FWUQWDCOOWEXRY-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2","""AuxInfo=1/0/N:13,12,14,8,7,11,15,9,6,3,10,4,2,1,5/E:(2,3)(6,7)/rA:15NCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4686913,PMID:32248004,2020.0,PMID:32248004,2020,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-FWYRCNFWCMKNTJ_on_O15399_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FWYRCNFWCMKNTJ_on_O60391_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FWYRCNFWCMKNTJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FWYRCNFWCMKNTJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100;  7.320,7.71,0.39,0.39,2.0,7.71,0.39
-FWYRCNFWCMKNTJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FWYRCNFWCMKNTJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100;  7.320,7.71,0.39,0.39,2.0,7.71,0.39
-FWYRCNFWCMKNTJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL182698,O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1,FWYRCNFWCMKNTJ,FWYRCNFWCMKNTJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)","""AuxInfo=1/1/N:11,16,20,12,15,21,7,17,3,6,18,4,9,28,10,8,19,13,22,2,27,24,14,23,5,1,25,26/E:(1,2)(4,5)(7,8)(10,11)/rA:28OCCCNCCCCCCCCFCCCCCCCCNCOOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s5s17;s2;d19;s20;d21;s22;d23;s24;s24;s22s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-FWZBUGMDRBQDHJ_on_P14867_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-FWZBUGMDRBQDHJ_on_P18507_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL681841;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.100;  6.770;  7.180;  6.820,6.7170000000000005,0.39,0.225,4.0,6.795,0.205
-FWZBUGMDRBQDHJ_on_P28472_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL678741;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770;  7.180;  6.820;  6.100,6.7170000000000005,0.39,0.225,4.0,6.795,0.205
-FWZBUGMDRBQDHJ_on_P31644_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-FWZBUGMDRBQDHJ_on_P34903_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-FWZBUGMDRBQDHJ_on_P47869_WT,Low,ChEMBL30,CHEMBL52640,COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,FWZBUGMDRBQDHJ,FWZBUGMDRBQDHJ-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-11-7-8-16(14-18)15-29-23-20-13-6-5-12-19(20)22-25-24-21(27(22)26-23)17-9-3-2-4-10-17/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,27,26,5,6,15,19,4,28,25,29,8,7,14,3,23,24,13,22,10,20,21,11,12,2,9/E:(3,4)(9,10)/rA:29COCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-FXBAUBWMBYTCIL_on_P41594_WT,High,ChEMBL30,CHEMBL3660264,O=C(Nc1cc(F)ccn1)c1cc(Oc2cncnc2)ccn1,FXBAUBWMBYTCIL,FXBAUBWMBYTCIL-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)","""AuxInfo=1/1/N:8,21,9,22,5,12,16,20,18,6,13,15,11,4,2,7,17,19,23,10,3,1,14/E:(7,8)(17,18)/rA:23OCNCCCFCCNCCCOCCNCNCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-FXCTZFMSAHZQTR_on_O00222_WT,Low,ChEMBL30,CHEMBL327783,CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2,FXCTZFMSAHZQTR,FXCTZFMSAHZQTR-UHFFFAOYSA-N,"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,7,12,8,13,9,4,6,10,5,11,3,18/rA:18CCOCOCCCCNOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;w?9;s10;s9;d12;s13;d14;s15;s12d16;s6s13;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FXCTZFMSAHZQTR_on_Q13255_WT,High,ChEMBL30,CHEMBL327783,CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2,FXCTZFMSAHZQTR,FXCTZFMSAHZQTR-UHFFFAOYSA-N,"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,7,12,8,13,9,4,6,10,5,11,3,18/rA:18CCOCOCCCCNOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;w?9;s10;s9;d12;s13;d14;s15;s12d16;s6s13;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945123,DOI:10.1016/0960-894X(96)00104-7,1996.0,PMID:17489573,2007,1,0,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-FXCTZFMSAHZQTR_on_Q14416_WT,Low,ChEMBL30,CHEMBL327783,CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2,FXCTZFMSAHZQTR,FXCTZFMSAHZQTR-UHFFFAOYSA-N,"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,7,12,8,13,9,4,6,10,5,11,3,18/rA:18CCOCOCCCCNOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;w?9;s10;s9;d12;s13;d14;s15;s12d16;s6s13;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FXCTZFMSAHZQTR_on_Q14831_WT,Low,ChEMBL30,CHEMBL327783,CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2,FXCTZFMSAHZQTR,FXCTZFMSAHZQTR-UHFFFAOYSA-N,"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,7,12,8,13,9,4,6,10,5,11,3,18/rA:18CCOCOCCCCNOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;w?9;s10;s9;d12;s13;d14;s15;s12d16;s6s13;/rC:;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FXCTZFMSAHZQTR_on_Q14833_WT,Low,ChEMBL30,CHEMBL327783,CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2,FXCTZFMSAHZQTR,FXCTZFMSAHZQTR-UHFFFAOYSA-N,"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,7,12,8,13,9,4,6,10,5,11,3,18/rA:18CCOCOCCCCNOCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;w?9;s10;s9;d12;s13;d14;s15;s12d16;s6s13;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-FXCZYSFKYHNDJL_on_P41594_WT,Medium,ChEMBL30,CHEMBL394923,Cc1nc(C#Cc2ccncc2)ccc1,FXCZYSFKYHNDJL,FXCZYSFKYHNDJL-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-3-2-4-13(15-11)6-5-12-7-9-14-10-8-12/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,14,15,13,6,5,8,12,9,11,2,7,4,10,3/E:(7,8)(9,10)/rA:15CCNCCCCCCNCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.670;  7.580,7.125,0.455,0.455,2.0,7.125,0.455
-FXDPOUZVXKECRF_on_Q05586_WT,High,ChEMBL30,CHEMBL399075,CS(=O)(=O)N(CC1CCCCO1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12,FXDPOUZVXKECRF,FXDPOUZVXKECRF-UHFFFAOYSA-N,"InChI=1S/C15H17Cl2N3O5S/c1-26(23,24)20(7-8-4-2-3-5-25-8)13-11(17)9(16)6-10-12(13)19-15(22)14(21)18-10/h6,8H,2-5,7H2,1H3,(H,18,21)(H,19,22)","""AuxInfo=1/1/N:1,9,10,8,11,18,6,7,16,19,14,26,13,21,23,17,15,20,25,5,22,24,3,4,12,2/E:(23,24)/CRV:26.6/rA:26CSOONCCCCCCOCCClCClCCNCOCONC/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s10;s7s11;s5;d13;s14;s14;s16;d16;s18;d19;s20;s21;d21;s23;s23;s13s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-FXGSFYZZIHCOQJ_on_P41594_WT,High,ChEMBL30,CHEMBL2403585,O=C(N1CCc2c(C1)sc(C#Cc1ccccc1)n2)N1CCC(F)(F)C1,FXGSFYZZIHCOQJ,FXGSFYZZIHCOQJ-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3OS/c20-19(21)9-11-24(13-19)18(25)23-10-8-15-16(12-23)26-17(22-15)7-6-14-4-2-1-3-5-14/h1-5H,8-13H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,5,22,4,21,8,26,13,6,7,10,2,23,24,25,19,3,20,1,9/E:(2,3)(4,5)(20,21)/rA:26OCNCCCCCSCCCCCCCCCNNCCCFFC/rB:d1;s2;s3;s4;s5;d6;s3s7;s7;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;s2;s20;s21;s22;s23;s23;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-FXIDXTIMKAEBGY_on_P14867_WT,High,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:9767648,1998.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-FXIDXTIMKAEBGY_on_P18507_WT,Low,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1282593;CHEMBL681480;CHEMBL948527;CHEMBL991893;CHEMBL685338;CHEMBL948526,PMID:9767648,1998.0,PMID:20646926;PMID:10633039;PMID:18537233;PMID:18537233;PMID:9767648;PMID:18537233,2010;2000;2008;2008;1998;2008,0,0,0,1,0,,=,  7.410;  7.410;  7.410;  5.050;  7.410;  6.040,6.787999999999999,0.924,0.413,6.0,7.41,0.0
-FXIDXTIMKAEBGY_on_P28472_WT,Low,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948527;CHEMBL991893;CHEMBL948526;CHEMBL685338;CHEMBL1282593;CHEMBL681480,PMID:9767648,1998.0,PMID:18537233;PMID:18537233;PMID:18537233;PMID:9767648;PMID:20646926;PMID:10633039,2008;2008;2008;1998;2010;2000,0,0,0,1,0,,=,  7.410;  5.050;  6.040;  7.410;  7.410;  7.410,6.787999999999999,0.924,0.413,6.0,7.41,0.0
-FXIDXTIMKAEBGY_on_P31644_WT,High,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:9767648,1998.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-FXIDXTIMKAEBGY_on_P34903_WT,High,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:9767648,1998.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-FXIDXTIMKAEBGY_on_P47869_WT,High,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:9767648,1998.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-FXIDXTIMKAEBGY_on_P48169_WT,Low,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1282593,PMID:18537233,2008.0,PMID:20646926,2010,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-FXIDXTIMKAEBGY_on_Q16445_WT,Low,ChEMBL30,CHEMBL45346,COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,FXIDXTIMKAEBGY,FXIDXTIMKAEBGY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:8,1,14,13,17,6,3,19,15,11,4,12,5,9,16,20,7,18,10,2/rA:20COCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s5s12;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL991893,PMID:9767648,1998.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-FXIXZADJVWSXHM_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,1092661;CHEMBL1385271,COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl,FXIXZADJVWSXHM,FXIXZADJVWSXHM-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O4/c1-25-17-11-12(21-19(24)16-7-4-10-26-16)8-9-15(17)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,22,23,11,21,24,10,14,15,12,4,5,20,25,16,9,3,18,7,26,6,17,19,8,2,13/rA:26COCCCNCOCCCCOCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;d5;s14;s3d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  6.010;  6.010,6.01,0.0,0.0,2.0,6.01,0.0
-FXNFGCSOIQMCRJ_on_O15399_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_O60391_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFGCSOIQMCRJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365802,Cn1c(C=NN=C(N)N)cc2c1cccc2,FXNFGCSOIQMCRJ,FXNFGCSOIQMCRJ-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-16-9(7-14-15-11(12)13)6-8-4-2-3-5-10(8)16/h2-7H,1H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,15,14,16,13,10,4,11,3,12,7,8,9,5,6,2/E:(12,13)/rA:16CNCCNNCNNCCCCCCC/rB:s1;s2;s3;w?4;s5;w?6;s7;s7;d3;s10;s2d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-FXNFHKRTJBSTCS_on_O00591_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_O14764_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P14867_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P18505_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P18507_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P28472_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P31644_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P34903_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P47869_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P47870_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P48169_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_P78334_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_Q16445_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXNFHKRTJBSTCS_on_Q99928_WT,Low,ChEMBL30,CHEMBL8260,O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2,FXNFHKRTJBSTCS,FXNFHKRTJBSTCS-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H","""AuxInfo=1/0/N:8,7,9,6,10,3,20,5,2,18,4,12,13,16,14,1,19,17,15,11/E:(2,3)(4,5)/rA:20OCCCCCCCCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s16;s18;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-FXPVOLWQNNGFHA_on_O15303_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL566136;674768,CCOC(=O)c1c(N)sc(-c2ccccc2)c1C,FXPVOLWQNNGFHA,FXPVOLWQNNGFHA-UHFFFAOYSA-N,"InChI=1S/C14H15NO2S/c1-3-17-14(16)11-9(2)12(18-13(11)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3","""AuxInfo=1/0/N:1,18,2,14,13,15,12,16,17,11,6,10,7,4,8,5,3,9/E:(5,6)(7,8)/rA:18CCOCOCCNSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812;PubChemAID:439881,PMID:19819046,2010.0,PMID:19819046;PubChemAID:439881,2010,1;0,0,0,0,0;1,,=,  6.120;  6.125,6.122999999999999,0.002,0.002,2.0,6.122999999999999,0.002
-FXQIFFKELAHIAO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484127,CC1CN(Cc2ccc(-c3cccc(F)c3)cc2)C(=O)O1,FXQIFFKELAHIAO,FXQIFFKELAHIAO-UHFFFAOYSA-N,"InChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-5-7-14(8-6-13)15-3-2-4-16(18)9-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,7,18,8,17,16,3,5,2,6,9,10,14,19,15,4,20,21/E:(5,6)(7,8)/rA:21CCCNCCCCCCCCCCFCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s10d14;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-FXQVBOJLSKRNLL_on_O15399_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.880;  4.510,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_O60391_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.510;  4.880,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.880;  4.510,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_Q05586_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.510;  4.880,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_Q12879_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.510;  4.880,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_Q13224_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.880;  4.510,4.695,0.185,0.185,2.0,4.695,0.185
-FXQVBOJLSKRNLL_on_Q14957_WT,Low,ChEMBL30,CHEMBL81602,Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1,FXQVBOJLSKRNLL,FXQVBOJLSKRNLL-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,3,18,12,15,4,17,11,16,2,13,5,10,7,8,6,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18CCCCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.510;  4.880,4.695,0.185,0.185,2.0,4.695,0.185
-FXSLIYBWDYTXJB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3945222,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CCC(NC(=O)C3CCCO3)CC1)cc2,FXSLIYBWDYTXJB,FXSLIYBWDYTXJB-UHFFFAOYSA-N,"InChI=1S/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28)","""AuxInfo=1/1/N:8,9,10,1,24,23,16,28,17,27,29,30,25,6,15,18,14,11,22,12,20,3,7,19,13,2,5,21,4,26/E:(1,2,3)/rA:30CNCONCCCCCCCNCCCCCNCOCCCCOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s22s25;s18;s15s27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-FXTKUHIBLBLQAQ_on_P18507_WT,Low,ChEMBL30,CHEMBL425732,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(NC(C)=O)cc2)n1,FXTKUHIBLBLQAQ,FXTKUHIBLBLQAQ-UHFFFAOYSA-N,"InChI=1S/C20H17Cl2N3O3/c1-3-28-20(27)17-11-25(18-9-6-14(21)10-16(18)22)19(24-17)13-4-7-15(8-5-13)23-12(2)26/h4-11H,3H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,24,2,19,27,15,20,26,16,12,7,23,18,13,21,10,6,9,17,4,14,11,22,28,8,25,5,3/E:(4,5)(7,8)/rA:28CCOCOCCNCCClCCClCCCCCCCNCCOCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FXTKUHIBLBLQAQ_on_P47869_WT,Low,ChEMBL30,CHEMBL425732,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(NC(C)=O)cc2)n1,FXTKUHIBLBLQAQ,FXTKUHIBLBLQAQ-UHFFFAOYSA-N,"InChI=1S/C20H17Cl2N3O3/c1-3-28-20(27)17-11-25(18-9-6-14(21)10-16(18)22)19(24-17)13-4-7-15(8-5-13)23-12(2)26/h4-11H,3H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,24,2,19,27,15,20,26,16,12,7,23,18,13,21,10,6,9,17,4,14,11,22,28,8,25,5,3/E:(4,5)(7,8)/rA:28CCOCOCCNCCClCCClCCCCCCCNCCOCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FXTKUHIBLBLQAQ_on_P47870_WT,Low,ChEMBL30,CHEMBL425732,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(NC(C)=O)cc2)n1,FXTKUHIBLBLQAQ,FXTKUHIBLBLQAQ-UHFFFAOYSA-N,"InChI=1S/C20H17Cl2N3O3/c1-3-28-20(27)17-11-25(18-9-6-14(21)10-16(18)22)19(24-17)13-4-7-15(8-5-13)23-12(2)26/h4-11H,3H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,24,2,19,27,15,20,26,16,12,7,23,18,13,21,10,6,9,17,4,14,11,22,28,8,25,5,3/E:(4,5)(7,8)/rA:28CCOCOCCNCCClCCClCCCCCCCNCCOCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-FXXAEVWLAOMRSI_on_P18507_WT,Low,ChEMBL30,CHEMBL235623,CCCc1c(CCl)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,FXXAEVWLAOMRSI,FXXAEVWLAOMRSI-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,7,11,20,15,16,17,22,21,8/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-FXXAEVWLAOMRSI_on_P28472_WT,High,ChEMBL30,CHEMBL235623,CCCc1c(CCl)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,FXXAEVWLAOMRSI,FXXAEVWLAOMRSI-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,7,11,20,15,16,17,22,21,8/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  9.180,9.18,0.0,0.0,1.0,9.18,0.0
-FXXAEVWLAOMRSI_on_P47869_WT,Low,ChEMBL30,CHEMBL235623,CCCc1c(CCl)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,FXXAEVWLAOMRSI,FXXAEVWLAOMRSI-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,7,11,20,15,16,17,22,21,8/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-FXXAEVWLAOMRSI_on_P47870_WT,Low,ChEMBL30,CHEMBL235623,CCCc1c(CCl)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,FXXAEVWLAOMRSI,FXXAEVWLAOMRSI-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,7,11,20,15,16,17,22,21,8/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-FXYKUYWNZGYJPF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010881,Cc1cccc2c1nc(-c1ccccc1)[nH]2,FXYKUYWNZGYJPF,FXYKUYWNZGYJPF-UHFFFAOYSA-N,"InChI=1S/C14H12N2/c1-10-6-5-9-12-13(10)16-14(15-12)11-7-3-2-4-8-11/h2-9H,1H3,(H,15,16)","""AuxInfo=1/1/N:1,13,12,14,4,3,11,15,5,2,10,6,7,9,16,8/E:(3,4)(7,8)/rA:16CCCCCCCNCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s6s9;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-FXZPVZIDZHBATG_on_P31644_WT,High,ChEMBL30,CHEMBL3681468,Cc1c(CNc2ccc(C(=O)NCCN3CCCC3=O)cn2)c(-c2ccccc2)no1,FXZPVZIDZHBATG,FXZPVZIDZHBATG-UHFFFAOYSA-N,"InChI=1S/C23H25N5O3/c1-16-19(22(27-31-16)17-6-3-2-4-7-17)15-26-20-10-9-18(14-25-20)23(30)24-11-13-28-12-5-8-21(28)29/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,24,30)(H,25,26)","""AuxInfo=1/1/N:1,27,26,28,17,25,29,18,8,7,13,16,14,21,4,2,24,9,3,6,19,23,10,12,22,5,30,15,20,11,31/E:(3,4)(6,7)/rA:31CCCCNCCCCCONCCNCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s15s18;d19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-FYBWPCCAELGEHR_on_P14867_WT,Low,ChEMBL30,CHEMBL459031,CCOCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,FYBWPCCAELGEHR,FYBWPCCAELGEHR-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,8,2,14,13,17,4,19,15,11,5,12,6,9,16,20,7,18,10,3/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s6s12;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FYBWPCCAELGEHR_on_P18507_WT,Low,ChEMBL30,CHEMBL459031,CCOCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,FYBWPCCAELGEHR,FYBWPCCAELGEHR-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,8,2,14,13,17,4,19,15,11,5,12,6,9,16,20,7,18,10,3/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s6s12;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FYBWPCCAELGEHR_on_P28472_WT,Low,ChEMBL30,CHEMBL459031,CCOCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,FYBWPCCAELGEHR,FYBWPCCAELGEHR-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,8,2,14,13,17,4,19,15,11,5,12,6,9,16,20,7,18,10,3/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s6s12;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-FYBWPCCAELGEHR_on_P31644_WT,Medium,ChEMBL30,CHEMBL459031,CCOCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,FYBWPCCAELGEHR,FYBWPCCAELGEHR-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,8,2,14,13,17,4,19,15,11,5,12,6,9,16,20,7,18,10,3/rA:20CCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s7;d9;s9;d11;s12;d13;s14;s15;s11d15;s6s12;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-FYGULVAWGIBPEL_on_O15399_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-FYGULVAWGIBPEL_on_O60391_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-FYGULVAWGIBPEL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-FYGULVAWGIBPEL_on_Q05586_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710;  6.980,6.845,0.135,0.135,2.0,6.845,0.135
-FYGULVAWGIBPEL_on_Q12879_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-FYGULVAWGIBPEL_on_Q13224_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.980;  6.710,6.845,0.135,0.135,2.0,6.845,0.135
-FYGULVAWGIBPEL_on_Q14957_WT,Low,ChEMBL30,CHEMBL113919,O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,FYGULVAWGIBPEL,FYGULVAWGIBPEL-UHFFFAOYSA-N,"InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2","""AuxInfo=1/0/N:20,19,21,18,22,6,11,4,7,10,3,14,23,13,24,16,5,17,15,8,2,12,9,1/E:(2,3)(4,5)(6,7)(9,10)(12,13)(14,15)/rA:24OCCCCCCCOCCNCCCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-FYGXJVFGWUEFMS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2365395;67103335,CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,FYGXJVFGWUEFMS,FYGXJVFGWUEFMS-UHFFFAOYSA-N,"InChI=1S/C24H25N5OS/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3/h5-9,11-14,17H,10H2,1-4H3,(H,26,30)","""AuxInfo=1/1/N:1,3,15,24,30,31,29,28,27,13,20,22,2,14,19,21,12,4,26,6,7,18,10,8,5,9,25,17,23,11,16/E:(1,2)/rA:31CCCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d6;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546;PubChemAID:733654,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733654,2013,1;0,0,0,0,0;1,,=,  7.720;  7.721,7.72,0.001,0.001,2.0,7.72,0.001
-FYGXJVFGWUEFMS_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2365395;67103335,CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,FYGXJVFGWUEFMS,FYGXJVFGWUEFMS-UHFFFAOYSA-N,"InChI=1S/C24H25N5OS/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3/h5-9,11-14,17H,10H2,1-4H3,(H,26,30)","""AuxInfo=1/1/N:1,3,15,24,30,31,29,28,27,13,20,22,2,14,19,21,12,4,26,6,7,18,10,8,5,9,25,17,23,11,16/E:(1,2)/rA:31CCCCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d6;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545;PubChemAID:733653,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733653,2013,1;0,0,0,0,0;1,,=,  6.190;  6.191,6.191,0.0,0.0,2.0,6.191,0.0
-FYIBXBFDXNPBSF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2333945,O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2)cc1)c1ccccc1,FYIBXBFDXNPBSF,FYIBXBFDXNPBSF-UHFFFAOYSA-N,"InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:29,28,30,27,31,9,24,8,25,23,22,17,11,10,26,7,16,18,20,2,5,19,21,12,3,4,1,6,14,15,13/E:(2,3)(4,5)(6,7)(8,9)(29,30)/CRV:31.6/rA:31OCNNCOCCCCCNSOOCCCClCFCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;d13;s13;d16;s17;s18;d18;s20;s20;s16d22;s10;s7d24;s2;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4308997;CHEMBL2343341,PMID:23458846,2013.0,PMID:29446949;PMID:23458846,2018;2013,1,0,0,0,0,,=,  6.350;  7.000,6.675,0.325,0.325,2.0,6.675,0.325
-FYIBXBFDXNPBSF_on_Q12879_WT,High,ChEMBL30,CHEMBL2333945,O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2)cc1)c1ccccc1,FYIBXBFDXNPBSF,FYIBXBFDXNPBSF-UHFFFAOYSA-N,"InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:29,28,30,27,31,9,24,8,25,23,22,17,11,10,26,7,16,18,20,2,5,19,21,12,3,4,1,6,14,15,13/E:(2,3)(4,5)(6,7)(8,9)(29,30)/CRV:31.6/rA:31OCNNCOCCCCCNSOOCCCClCFCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;d13;s13;d16;s17;s18;d18;s20;s20;s16d22;s10;s7d24;s2;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4009450;CHEMBL4309002;CHEMBL4308998;CHEMBL4308994,PMID:28222314,2017.0,PMID:28222314;PMID:29446949;PMID:29446949;PMID:29446949,2017;2018;2018;2018,1,0,0,0,0,,=,  6.960;  6.470;  6.500;  6.960,6.723,0.23800000000000002,0.13699999999999998,4.0,6.73,0.23
-FYIBXBFDXNPBSF_on_Q13224_WT,High,ChEMBL30,CHEMBL2333945,O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2)cc1)c1ccccc1,FYIBXBFDXNPBSF,FYIBXBFDXNPBSF-UHFFFAOYSA-N,"InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:29,28,30,27,31,9,24,8,25,23,22,17,11,10,26,7,16,18,20,2,5,19,21,12,3,4,1,6,14,15,13/E:(2,3)(4,5)(6,7)(8,9)(29,30)/CRV:31.6/rA:31OCNNCOCCCCCNSOOCCCClCFCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;d13;s13;d16;s17;s18;d18;s20;s20;s16d22;s10;s7d24;s2;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4308995,PMID:23458846,2013.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-FYIBXBFDXNPBSF_on_Q14957_WT,Low,ChEMBL30,CHEMBL2333945,O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2)cc1)c1ccccc1,FYIBXBFDXNPBSF,FYIBXBFDXNPBSF-UHFFFAOYSA-N,"InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:29,28,30,27,31,9,24,8,25,23,22,17,11,10,26,7,16,18,20,2,5,19,21,12,3,4,1,6,14,15,13/E:(2,3)(4,5)(6,7)(8,9)(29,30)/CRV:31.6/rA:31OCNNCOCCCCCNSOOCCCClCFCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;d13;s13;d16;s17;s18;d18;s20;s20;s16d22;s10;s7d24;s2;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309000,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FYKXKSHDWOPKIU_on_O14764_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-FYKXKSHDWOPKIU_on_P14867_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FYKXKSHDWOPKIU_on_P18507_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FYKXKSHDWOPKIU_on_P28472_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-FYKXKSHDWOPKIU_on_P47870_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-FYKXKSHDWOPKIU_on_P48169_WT,Low,ChEMBL30,CHEMBL4080678,Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,FYKXKSHDWOPKIU,FYKXKSHDWOPKIU-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,22,27,18,3,7,2,17,24,25,14,13,10,8,19,28,4,5,6,9,21/rA:29CCCNNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-FYMJCZZKTSYDNR_on_P41594_WT,High,ChEMBL30,CHEMBL3644365,COCc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,FYMJCZZKTSYDNR,FYMJCZZKTSYDNR-UHFFFAOYSA-N,"InChI=1S/C20H20FN5O2/c1-28-10-17-23-11-26(24-17)18-8-16-13-4-5-15(21)20(12-2-3-12)14(13)6-7-25(16)19(27)9-22-18/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3","""AuxInfo=1/0/N:1,23,24,17,18,14,13,26,9,3,27,22,16,15,19,25,4,7,10,21,20,8,28,5,12,6,11,2/E:(2,3)/rA:28COCCNNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-FYMJCZZKTSYDNR_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644365,COCc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,FYMJCZZKTSYDNR,FYMJCZZKTSYDNR-UHFFFAOYSA-N,"InChI=1S/C20H20FN5O2/c1-28-10-17-23-11-26(24-17)18-8-16-13-4-5-15(21)20(12-2-3-12)14(13)6-7-25(16)19(27)9-22-18/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3","""AuxInfo=1/0/N:1,23,24,17,18,14,13,26,9,3,27,22,16,15,19,25,4,7,10,21,20,8,28,5,12,6,11,2/E:(2,3)/rA:28COCCNNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-FYOXWZFDOADHOW_on_P14867_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1648949,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-FYOXWZFDOADHOW_on_P18507_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1648949;CHEMBL1648948;CHEMBL1648951;CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.850;  8.770;  8.440;  9.150,9.052999999999999,0.525,0.303,4.0,8.96,0.355
-FYOXWZFDOADHOW_on_P28472_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1648951;CHEMBL1648948;CHEMBL1648949;CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.440;  8.770;  9.850;  9.150,9.052999999999999,0.525,0.303,4.0,8.96,0.355
-FYOXWZFDOADHOW_on_P31644_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1648951,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-FYOXWZFDOADHOW_on_P34903_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-FYOXWZFDOADHOW_on_P47869_WT,Low,ChEMBL30,CHEMBL1644826,Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1,FYOXWZFDOADHOW,FYOXWZFDOADHOW-UHFFFAOYSA-N,"InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,3,29,14,15,12,4,28,11,20,19,21,17,2,13,16,5,9,10,8,23,26,22,7,25,6,24,27,18/E:(2,3)(7,8)/rA:29CCCCCNNCCCCCCCCCCSCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s16d19;s9d13;s10;s22;d23;s8s23;s6s25;d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-FYQHOZQRGLULQN_on_O15303_WT,Low,ChEMBL30,CHEMBL3804910,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2,FYQHOZQRGLULQN,FYQHOZQRGLULQN-UHFFFAOYSA-N,"InChI=1S/C23H35N5O3/c1-22(2,3)14-28-17-10-11-18(24-19(17)25(7)20(28)29)26-12-16-9-8-15(26)13-27(16)21(30)31-23(4,5)6/h10-11,15-16H,8-9,12-14H2,1-7H3","""AuxInfo=1/0/N:8,9,10,27,28,29,1,19,18,31,30,16,21,6,20,17,11,14,12,3,23,7,26,13,2,15,22,5,4,24,25/E:(1,2,3)(4,5,6)/rA:31CNCONCCCCCCCNCNCCCCCCNCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;s26;s26;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FYQHOZQRGLULQN_on_P41594_WT,Low,ChEMBL30,CHEMBL3804910,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2,FYQHOZQRGLULQN,FYQHOZQRGLULQN-UHFFFAOYSA-N,"InChI=1S/C23H35N5O3/c1-22(2,3)14-28-17-10-11-18(24-19(17)25(7)20(28)29)26-12-16-9-8-15(26)13-27(16)21(30)31-23(4,5)6/h10-11,15-16H,8-9,12-14H2,1-7H3","""AuxInfo=1/0/N:8,9,10,27,28,29,1,19,18,31,30,16,21,6,20,17,11,14,12,3,23,7,26,13,2,15,22,5,4,24,25/E:(1,2,3)(4,5,6)/rA:31CNCONCCCCCCCNCNCCCCCCNCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;s26;s26;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FYQHOZQRGLULQN_on_Q14416_WT,High,ChEMBL30,CHEMBL3804910,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2,FYQHOZQRGLULQN,FYQHOZQRGLULQN-UHFFFAOYSA-N,"InChI=1S/C23H35N5O3/c1-22(2,3)14-28-17-10-11-18(24-19(17)25(7)20(28)29)26-12-16-9-8-15(26)13-27(16)21(30)31-23(4,5)6/h10-11,15-16H,8-9,12-14H2,1-7H3","""AuxInfo=1/0/N:8,9,10,27,28,29,1,19,18,31,30,16,21,6,20,17,11,14,12,3,23,7,26,13,2,15,22,5,4,24,25/E:(1,2,3)(4,5,6)/rA:31CNCONCCCCCCCNCNCCCCCCNCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;s26;s26;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-FYQHOZQRGLULQN_on_Q14832_WT,Low,ChEMBL30,CHEMBL3804910,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2,FYQHOZQRGLULQN,FYQHOZQRGLULQN-UHFFFAOYSA-N,"InChI=1S/C23H35N5O3/c1-22(2,3)14-28-17-10-11-18(24-19(17)25(7)20(28)29)26-12-16-9-8-15(26)13-27(16)21(30)31-23(4,5)6/h10-11,15-16H,8-9,12-14H2,1-7H3","""AuxInfo=1/0/N:8,9,10,27,28,29,1,19,18,31,30,16,21,6,20,17,11,14,12,3,23,7,26,13,2,15,22,5,4,24,25/E:(1,2,3)(4,5,6)/rA:31CNCONCCCCCCCNCNCCCCCCNCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;s26;s26;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FYQHOZQRGLULQN_on_Q14833_WT,Low,ChEMBL30,CHEMBL3804910,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2,FYQHOZQRGLULQN,FYQHOZQRGLULQN-UHFFFAOYSA-N,"InChI=1S/C23H35N5O3/c1-22(2,3)14-28-17-10-11-18(24-19(17)25(7)20(28)29)26-12-16-9-8-15(26)13-27(16)21(30)31-23(4,5)6/h10-11,15-16H,8-9,12-14H2,1-7H3","""AuxInfo=1/0/N:8,9,10,27,28,29,1,19,18,31,30,16,21,6,20,17,11,14,12,3,23,7,26,13,2,15,22,5,4,24,25/E:(1,2,3)(4,5,6)/rA:31CNCONCCCCCCCNCNCCCCCCNCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;s26;s26;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-FYYPECHDWYQIST_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290497,OC1CN(Cc2cccc(-c3ccccc3)c2)CCc2c1ccc(OCc1ccccc1)c2,FYYPECHDWYQIST,FYYPECHDWYQIST-UHFFFAOYSA-N,"InChI=1S/C30H29NO2/c32-30-21-31(20-24-10-7-13-26(18-24)25-11-5-2-6-12-25)17-16-27-19-28(14-15-29(27)30)33-22-23-8-3-1-4-9-23/h1-15,18-19,30,32H,16-17,20-22H2","""AuxInfo=1/0/N:30,14,29,31,13,15,8,28,32,7,12,16,9,23,22,19,18,17,33,5,3,26,27,6,11,10,20,24,21,2,4,1,25/E:(3,4)(5,6)(8,9)(11,12)/rA:33OCCNCCCCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s4;s18;s19;s2d20;s21;d22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-FYYPECHDWYQIST_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290497,OC1CN(Cc2cccc(-c3ccccc3)c2)CCc2c1ccc(OCc1ccccc1)c2,FYYPECHDWYQIST,FYYPECHDWYQIST-UHFFFAOYSA-N,"InChI=1S/C30H29NO2/c32-30-21-31(20-24-10-7-13-26(18-24)25-11-5-2-6-12-25)17-16-27-19-28(14-15-29(27)30)33-22-23-8-3-1-4-9-23/h1-15,18-19,30,32H,16-17,20-22H2","""AuxInfo=1/0/N:30,14,29,31,13,15,8,28,32,7,12,16,9,23,22,19,18,17,33,5,3,26,27,6,11,10,20,24,21,2,4,1,25/E:(3,4)(5,6)(8,9)(11,12)/rA:33OCCNCCCCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s4;s18;s19;s2d20;s21;d22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-FYYZBZJEULZXAP_on_P31644_WT,High,ChEMBL30,CHEMBL3676457,Cc1c(COc2ccc(C#N)cn2)c(-c2ccccc2)no1,FYYZBZJEULZXAP,FYYZBZJEULZXAP-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-12-15(11-21-16-8-7-13(9-18)10-19-16)17(20-22-12)14-5-3-2-4-6-14/h2-8,10H,11H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,8,7,10,12,4,2,9,15,3,6,14,11,13,21,5,22/E:(3,4)(5,6)/rA:22CCCCOCCCCCNCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;t10;s9;s6d12;s3;s14;d15;s16;d17;s18;s15d19;d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-FYZFBWGIHKEOHV_on_Q14833_WT,Low,ChEMBL30,CHEMBL474805,CC(c1ccccc1)C1Nc2c(cccc2)C(=O)N1c1cc(F)ccc1,FYZFBWGIHKEOHV,FYZFBWGIHKEOHV-UHFFFAOYSA-N,"InChI=1S/C22H19FN2O/c1-15(16-8-3-2-4-9-16)21-24-20-13-6-5-12-19(20)22(26)25(21)18-11-7-10-17(23)14-18/h2-15,21,24H,1H3","""AuxInfo=1/0/N:1,6,5,7,14,15,25,4,8,24,26,13,16,21,2,3,22,20,12,11,9,17,23,10,19,18/E:(3,4)(8,9)/rA:26CCCCCCCCCNCCCCCCCONCCCFCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s11d15;s12;d17;s9s17;s19;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL948800,PMID:19097893,2009.0,PMID:19097893,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FYZPLFGFMYHLTN_on_O00591_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_O14764_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P14867_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P18505_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P18507_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P28472_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P31644_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P34903_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P47869_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P47870_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P48169_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_P78334_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_Q16445_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FYZPLFGFMYHLTN_on_Q99928_WT,Low,ChEMBL30,CHEMBL89600,CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,FYZPLFGFMYHLTN,FYZPLFGFMYHLTN-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-13(19)5-6-14-7-9-15(10-8-14)17-20-11-16(12-21-17)18(2,3)4/h7-10,13,16-17,19H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,4,5,7,21,8,20,12,18,2,6,9,13,10,14,3,11,19/E:(2,3,4)(7,8)(9,10)(11,12)(20,21)/rA:21CCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;s2;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-FZANBVBQQNZHBU_on_P41594_WT,High,ChEMBL30,CHEMBL2408410,O=C1CCCc2c1cc(C#Cc1ccccc1)cn2,FZANBVBQQNZHBU,FZANBVBQQNZHBU-UHFFFAOYSA-N,"InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)11-14(12-18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,8,18,12,9,7,6,2,19,1/E:(2,3)(5,6)/rA:19OCCCCCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-FZAZJEGYSQLMGX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1223841;CHEMBL1223722,O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(O)cc1,FZAZJEGYSQLMGX,FZAZJEGYSQLMGX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2S/c25-18-8-6-16(7-9-18)14-19-20(26)22-21(27-19)24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,14,25H,10-13,15H2","""AuxInfo=1/0/N:13,12,14,11,15,22,27,23,26,7,16,6,17,20,9,21,10,24,19,2,4,3,8,5,25,1,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27OCNCNCCNCCCCCCCCCSCCCCCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  5.750;  5.570,5.66,0.09,0.09,2.0,5.66,0.09
-FZAZJEGYSQLMGX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1223722;CHEMBL1223841,O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(O)cc1,FZAZJEGYSQLMGX,FZAZJEGYSQLMGX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2S/c25-18-8-6-16(7-9-18)14-19-20(26)22-21(27-19)24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,14,25H,10-13,15H2","""AuxInfo=1/0/N:13,12,14,11,15,22,27,23,26,7,16,6,17,20,9,21,10,24,19,2,4,3,8,5,25,1,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27OCNCNCCNCCCCCCCCCSCCCCCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  5.570;  5.750,5.66,0.09,0.09,2.0,5.66,0.09
-FZEPVWHNXIQZFG_on_Q14416_WT,High,ChEMBL30,CHEMBL3935529,CCCc1c(OCc2ccc(Oc3ccc(C(=O)O)cn3)cc2)ccc(C(C)=O)c1O,FZEPVWHNXIQZFG,FZEPVWHNXIQZFG-UHFFFAOYSA-N,"InChI=1S/C24H23NO6/c1-3-4-20-21(11-10-19(15(2)26)23(20)27)30-14-16-5-8-18(9-6-16)31-22-12-7-17(13-25-22)24(28)29/h5-13,27H,3-4,14H2,1-2H3,(H,28,29)","""AuxInfo=1/1/N:1,28,2,3,9,23,15,10,22,25,24,14,20,7,27,8,16,11,26,4,5,13,30,17,21,29,31,18,19,6,12/E:(5,6)(8,9)(28,29)/rA:31CCCCCOCCCCCOCCCCCOOCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s11;s8d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-FZFHXYLTPQLHFM_on_O00222_WT,High,ChEMBL30,CHEMBL4076031,NC(CCP(=O)(O)C(O)c1cccnc1)C(=O)O,FZFHXYLTPQLHFM,FZFHXYLTPQLHFM-UHFFFAOYSA-N,"InChI=1S/C10H15N2O5P/c11-8(9(13)14)3-5-18(16,17)10(15)7-2-1-4-12-6-7/h1-2,4,6,8,10,15H,3,5,11H2,(H,13,14)(H,16,17)","""AuxInfo=1/1/N:12,11,3,13,4,15,10,2,16,8,1,14,17,18,9,6,7,5/E:(13,14)(16,17)/rA:18NCCCPOOCOCCCCNCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s10d14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.440,4.44,0.0,0.0,1.0,4.44,0.0
-FZFHXYLTPQLHFM_on_Q14833_WT,High,ChEMBL30,CHEMBL4076031,NC(CCP(=O)(O)C(O)c1cccnc1)C(=O)O,FZFHXYLTPQLHFM,FZFHXYLTPQLHFM-UHFFFAOYSA-N,"InChI=1S/C10H15N2O5P/c11-8(9(13)14)3-5-18(16,17)10(15)7-2-1-4-12-6-7/h1-2,4,6,8,10,15H,3,5,11H2,(H,13,14)(H,16,17)","""AuxInfo=1/1/N:12,11,3,13,4,15,10,2,16,8,1,14,17,18,9,6,7,5/E:(13,14)(16,17)/rA:18NCCCPOOCOCCCCNCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s10d14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-FZHHENRKEAZEEJ_on_O15303_WT,High,ChEMBL30,CHEMBL575059,CCOC(=O)c1c(Cl)sc(-c2ccccc2)c1C,FZHHENRKEAZEEJ,FZHHENRKEAZEEJ-UHFFFAOYSA-N,"InChI=1S/C14H13ClO2S/c1-3-17-14(16)11-9(2)12(18-13(11)15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3","""AuxInfo=1/0/N:1,18,2,14,13,15,12,16,17,11,6,10,7,4,8,5,3,9/E:(5,6)(7,8)/rA:18CCOCOCCClSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-FZJSANSRPNZTNR_on_P31644_WT,High,ChEMBL30,CHEMBL3681470,Cc1c(CNc2ccc(C(=O)NC3CC3)cn2)c(-c2ccccc2)no1,FZJSANSRPNZTNR,FZJSANSRPNZTNR-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-13-17(19(24-26-13)14-5-3-2-4-6-14)12-22-18-10-7-15(11-21-18)20(25)23-16-8-9-16/h2-7,10-11,16H,8-9,12H2,1H3,(H,21,22)(H,23,25)","""AuxInfo=1/1/N:1,22,21,23,20,24,8,14,15,7,16,4,2,19,9,13,3,6,18,10,17,5,12,25,11,26/E:(3,4)(5,6)(8,9)/rA:26CCCCNCCCCCONCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-FZJVQWMHVKPDJP_on_O15399_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FZJVQWMHVKPDJP_on_O60391_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FZJVQWMHVKPDJP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FZJVQWMHVKPDJP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750561;CHEMBL746993;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.700;  5.890;  7.100,6.563,0.503,0.35600000000000004,3.0,6.7,0.4
-FZJVQWMHVKPDJP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.700;  7.100,6.9,0.2,0.2,2.0,6.9,0.2
-FZJVQWMHVKPDJP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.100;  5.890,6.495,0.605,0.605,2.0,6.495,0.605
-FZJVQWMHVKPDJP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1188357,CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12,FZJVQWMHVKPDJP,FZJVQWMHVKPDJP-UHFFFAOYSA-N,"InChI=1S/C17H17N4O6P/c1-28(26,27)17(18-9-10-5-3-2-4-6-10)12-7-11(21(24)25)8-13-14(12)20-16(23)15(22)19-13/h2-8,17-18H,9H2,1H3,(H,19,22)(H,20,23)(H,26,27)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,20,7,8,16,14,21,28,23,25,5,6,22,27,17,24,26,18,19,3,4,2/E:(3,4)(5,6)(24,25)(26,27)/CRV:21.5/rA:28CPOOCNCCCCCCCCCCN+OO-CCNCOCONC/rB:s1;d2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s5;d14;s15;s16;d17;s17;d16;s20;d21;s22;s23;d23;s25;s25;s14s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-FZKLAHBCRAGPPC_on_P31644_WT,High,ChEMBL30,CHEMBL3686273,O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1,FZKLAHBCRAGPPC,FZKLAHBCRAGPPC-UHFFFAOYSA-N,"InChI=1S/C19H18N4O3/c24-19(22-9-13-4-5-13)14-6-7-17(21-10-14)25-11-15-12-26-23-18(15)16-3-1-2-8-20-16/h1-3,6-8,10,12-13H,4-5,9,11H2,(H,22,24)","""AuxInfo=1/1/N:21,22,20,6,7,9,10,23,4,26,13,15,5,8,14,19,11,18,2,24,25,3,17,1,12,16/E:(4,5)/rA:26OCNCCCCCCCCOCCCONCCCCCCNNC/rB:d1;s2;s3;s4;s5;s5s6;s2;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s19d23;s11;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-FZNYXOKZKWFUEV_on_Q14416_WT,High,ChEMBL30,CHEMBL2179318,Clc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,FZNYXOKZKWFUEV,FZNYXOKZKWFUEV-UHFFFAOYSA-N,"InChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2","""AuxInfo=1/0/N:11,10,12,9,13,22,23,16,17,6,14,5,15,20,21,8,3,19,2,26,1,24,25,7,4,18/E:(2,3)(4,5)(6,7)(10,11)(12,13)/rA:26ClCCNCCNCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s4s14;s3;d16;s17;s18;s19;s20;s21;s21s22;d19;s24;s2s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-FZOHCTHIDYYEKU_on_P41594_WT,High,ChEMBL30,CHEMBL1257274,N#Cc1cc(F)cc(N2CCc3c(C2)oc(-c2ccccn2)n3)c1,FZOHCTHIDYYEKU,FZOHCTHIDYYEKU-UHFFFAOYSA-N,"InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-15-17(11-23)24-18(22-15)16-3-1-2-5-21-16/h1-3,5,7-9H,4,6,11H2","""AuxInfo=1/0/N:19,20,18,11,21,10,4,24,7,2,14,3,5,8,12,17,13,16,6,1,22,23,9,15/rA:24NCCCCFCCNCCCCCOCCCCCCNNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s9s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-FZOSBJPFKBYPJU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3916627,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)CO)CC3C1)cc2,FZOSBJPFKBYPJU,FZOSBJPFKBYPJU-UHFFFAOYSA-N,"InChI=1S/C21H28N4O3/c1-21(2,3)12-25-17-6-5-16(22-19(17)23(4)20(25)28)13-7-14-9-24(18(27)11-26)10-15(14)8-13/h5-7,14-15,26H,8-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,27,28,16,26,18,24,22,6,15,17,25,14,11,20,12,3,7,13,2,19,5,23,21,4/E:(1,2,3)/rA:28CNCONCCCCCCCNCCCCCNCOCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s19;d20;s20;s22;s19;s17s24;s15s25;s14;s11d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.570;  5.550,6.06,0.51,0.51,2.0,6.06,0.51
-FZPHDXXFWLWILN_on_P41594_WT,High,ChEMBL30,CHEMBL3603927,N#Cc1cc(Cl)cc(-c2cc(-c3nnccc3)ncn2)c1,FZPHDXXFWLWILN,FZPHDXXFWLWILN-UHFFFAOYSA-N,"InChI=1S/C15H8ClN5/c16-12-5-10(8-17)4-11(6-12)14-7-15(19-9-18-14)13-2-1-3-20-21-13/h1-7,9H","""AuxInfo=1/0/N:16,17,15,21,4,7,10,2,19,3,8,5,12,9,11,6,1,20,18,14,13/rA:21NCCCCClCCCCCCNNCCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s9d19;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566;CHEMBL3606567,PMID:26225459,2015.0,PMID:26225459,2015,0;1,0,0,1;0,0,,=,  8.000;  6.700,7.35,0.65,0.65,2.0,7.35,0.65
-GAARDPHDHJVKSJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3809420,CC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1,GAARDPHDHJVKSJ,GAARDPHDHJVKSJ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3S/c1-14(15-7-3-2-4-8-15)25(23,24)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-14H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,6,5,7,21,22,4,8,20,14,23,13,25,2,3,15,19,17,24,16,12,18,10,11,9/E:(3,4)(7,8)(23,24)/CRV:25.6/rA:25CCCCCCCCSOONCCCNCOCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;d9;s9;s12;d13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.530;  5.530,5.53,0.0,0.0,2.0,5.53,0.0
-GACIWYLZVAYZRP_on_P41594_WT,High,ChEMBL30,CHEMBL185365,Cc1nc(C#Cc2cc(-c3ccccc3)cnc2)cs1,GACIWYLZVAYZRP,GACIWYLZVAYZRP-UHFFFAOYSA-N,"InChI=1S/C17H12N2S/c1-13-19-17(12-20-13)8-7-14-9-16(11-18-10-14)15-5-3-2-4-6-15/h2-6,9-12H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,6,5,8,18,16,19,2,7,10,9,4,17,3,20/E:(3,4)(5,6)/rA:20CCNCCCCCCCCCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-GADIKQPUNWAMEB_on_P14867_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1638613;CHEMBL822162;CHEMBL678329;CHEMBL681641;CHEMBL681637;CHEMBL680293;CHEMBL677037;CHEMBL677036;CHEMBL829842,PMID:9651158,1998.0,PMID:20980155;PMID:9651158;PMID:10633039;PMID:12747794;PMID:11960500;PMID:11881985;PMID:15084116;PMID:15125950;PMID:15537339,2010;1998;2000;2003;2002;2002;2004;2004;2004,0,1;0;0;0;0;0;0;0;0,0,0;1;1;1;1;1;1;1;1,0,,=,  8.050;  8.240;  8.240;  8.000;  8.240;  8.000;  7.800;  8.000;  8.000,8.062999999999999,0.141,0.05,9.0,8.0,0.05
-GADIKQPUNWAMEB_on_P18507_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL680434;CHEMBL682253;CHEMBL824294;CHEMBL681483;CHEMBL681637;CHEMBL681480;CHEMBL683045;CHEMBL1638614;CHEMBL1638616;CHEMBL1638615;CHEMBL1638613;CHEMBL685339;CHEMBL685337;CHEMBL683046;CHEMBL682251;CHEMBL681641;CHEMBL682711;CHEMBL677036;CHEMBL681248;CHEMBL680672;CHEMBL685340;CHEMBL678329;CHEMBL681090;CHEMBL680293;CHEMBL683015;CHEMBL823761;CHEMBL822162;CHEMBL682712;CHEMBL829844;CHEMBL829842;CHEMBL829845;CHEMBL682252;CHEMBL829843;CHEMBL680435;CHEMBL681249;CHEMBL677037;CHEMBL682082,PMID:9651158,1998.0,PMID:12747794;PMID:15125950;PMID:12747794;PMID:9651158;PMID:11960500;PMID:11960500;PMID:10633039;PMID:10633039;PMID:20980155;PMID:20980155;PMID:20980155;PMID:20980155;PMID:12747794;PMID:9651158;PMID:9651158;PMID:10633039;PMID:12747794;PMID:15125950;PMID:15125950;PMID:10633039;PMID:15125950;PMID:11881985;PMID:10633039;PMID:11881985;PMID:11881985;PMID:11881985;PMID:9651158;PMID:9651158;PMID:15084116;PMID:15537339;PMID:15537339;PMID:15537339;PMID:11960500;PMID:15537339;PMID:15084116;PMID:11960500;PMID:15084116;PMID:15084116,2003;2004;2003;1998;2002;2002;2000;2000;2010;2010;2010;2010;2003;1998;1998;2000;2003;2004;2004;2000;2004;2002;2000;2002;2002;2002;1998;1998;2004;2004;2004;2004;2002;2004;2004;2002;2004;2004,0,0;0;0;0;0;0;0;0;1;1;1;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,1;1;1;1;1;1;1;1;0;0;0;0;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  7.890;  8.120;  8.120;  8.080;  9.000;  8.240;  8.980;  6.870;  7.850;  8.520;  8.000;  8.050;  8.660;  9.000;  6.870;  8.400;  8.000;  7.890;  8.000;  8.080;  8.660;  8.660;  8.240;  8.120;  8.000;  7.890;  8.400;  8.240;  7.960;  8.120;  8.000;  8.660;  8.400;  7.890;  8.000;  8.080;  7.800;  8.640,8.168,0.45,0.07400000000000001,38.0,8.1,0.21
-GADIKQPUNWAMEB_on_P28472_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685340;CHEMBL677036;CHEMBL1638616;CHEMBL829844;CHEMBL681483;CHEMBL681249;CHEMBL681637;CHEMBL683045;CHEMBL681480;CHEMBL829843;CHEMBL682711;CHEMBL829842;CHEMBL680435;CHEMBL682252;CHEMBL677037;CHEMBL682712;CHEMBL682082;CHEMBL829845;CHEMBL1638614;CHEMBL1638615;CHEMBL682253;CHEMBL680434;CHEMBL681405;CHEMBL685337;CHEMBL683046;CHEMBL685339;CHEMBL681641;CHEMBL822162;CHEMBL678329;CHEMBL681090;CHEMBL683015;CHEMBL824294;CHEMBL681248;CHEMBL680293;CHEMBL680672;CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:11881985;PMID:15125950;PMID:20980155;PMID:15537339;PMID:11960500;PMID:11960500;PMID:11960500;PMID:10633039;PMID:10633039;PMID:15537339;PMID:15125950;PMID:15537339;PMID:15084116;PMID:11960500;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15537339;PMID:20980155;PMID:20980155;PMID:12747794;PMID:15125950;PMID:12747794;PMID:9651158;PMID:9651158;PMID:12747794;PMID:12747794;PMID:9651158;PMID:10633039;PMID:11881985;PMID:11881985;PMID:9651158;PMID:10633039;PMID:11881985;PMID:15125950;PMID:9651158;PMID:10633039,2002;2004;2010;2004;2002;2002;2002;2000;2000;2004;2004;2004;2004;2002;2004;2004;2004;2004;2010;2010;2003;2004;2003;1998;1998;2003;2003;1998;2000;2002;2002;1998;2000;2002;2004;1998;2000,0,0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,1;1;0;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;0;0;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  8.660;  8.000;  8.520;  8.120;  9.000;  8.080;  8.240;  6.870;  8.980;  7.890;  7.890;  8.000;  8.000;  8.400;  7.800;  7.960;  8.640;  8.660;  7.850;  8.000;  8.120;  8.120;  7.890;  9.000;  6.870;  8.660;  8.000;  8.240;  8.240;  8.120;  7.890;  8.080;  8.080;  8.000;  8.660;  8.400;  8.400,8.171,0.456,0.076,37.0,8.12,0.23
-GADIKQPUNWAMEB_on_P31644_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685337;CHEMBL1638616;CHEMBL685340;CHEMBL685339;CHEMBL680672;CHEMBL682082;CHEMBL829845;CHEMBL681483,PMID:9651158,1998.0,PMID:10633039;PMID:9651158;PMID:20980155;PMID:11881985;PMID:12747794;PMID:15125950;PMID:15084116;PMID:15537339;PMID:11960500,2000;1998;2010;2002;2003;2004;2004;2004;2002,0,0;0;1;0;0;0;0;0;0,0,1;1;0;1;1;1;1;1;1,0,,=,  8.980;  9.000;  8.520;  8.660;  8.660;  8.660;  8.640;  8.660;  9.000,8.753,0.175,0.062,9.0,8.66,0.02
-GADIKQPUNWAMEB_on_P34903_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252;CHEMBL829844;CHEMBL1638615;CHEMBL680435;CHEMBL682253;CHEMBL823761;CHEMBL682251;CHEMBL681090;CHEMBL680434,PMID:9651158,1998.0,PMID:11960500;PMID:15537339;PMID:20980155;PMID:15084116;PMID:12747794;PMID:9651158;PMID:10633039;PMID:11881985;PMID:15125950,2002;2004;2010;2004;2003;1998;2000;2002;2004,0,0;0;1;0;0;0;0;0;0,0,1;1;0;1;1;1;1;1;1,0,,=,  8.400;  8.120;  8.000;  8.000;  8.120;  8.400;  8.400;  8.120;  8.120,8.187000000000001,0.158,0.055999999999999994,9.0,8.12,0.12
-GADIKQPUNWAMEB_on_P47869_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249;CHEMBL1638614;CHEMBL681248;CHEMBL683015;CHEMBL824294;CHEMBL682711;CHEMBL681405;CHEMBL829843;CHEMBL682712,PMID:9651158,1998.0,PMID:11960500;PMID:20980155;PMID:10633039;PMID:11881985;PMID:9651158;PMID:15125950;PMID:12747794;PMID:15537339;PMID:15084116,2002;2010;2000;2002;1998;2004;2003;2004;2004,0,0;1;0;0;0;0;0;0;0,0,1;0;1;1;1;1;1;1;1,0,,=,  8.080;  7.850;  8.080;  7.890;  8.080;  7.890;  7.890;  7.890;  7.960,7.957000000000001,0.091,0.032,9.0,7.89,0.04
-GADIKQPUNWAMEB_on_P47870_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1638613,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-GADIKQPUNWAMEB_on_Q16445_WT,Low,ChEMBL30,CHEMBL17468,CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1,GADIKQPUNWAMEB,GADIKQPUNWAMEB-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3","""AuxInfo=1/0/N:1,19,22,12,2,16,23,6,3,15,14,5,17,20,4,8,9,7,13,10,18,21,11/rA:23CCCCCCNCCOOCNCCCCOCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s5;s13;s4d14;s15;d16;s17;s18;s17;s20;s21;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046;CHEMBL683045,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.870;  6.870,6.87,0.0,0.0,2.0,6.87,0.0
-GAENEKJGLXICIO_on_P41594_WT,High,ChEMBL30,CHEMBL2440663,O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Oc2cncnc2)c1,GAENEKJGLXICIO,GAENEKJGLXICIO-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN4O2/c17-11-3-10(16(23)22-15-2-1-12(18)6-21-15)4-13(5-11)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23)","""AuxInfo=1/1/N:6,5,12,24,15,9,19,23,21,11,13,7,16,18,4,2,14,8,20,22,10,3,1,17/E:(7,8)(19,20)/rA:24OCNCCCCFCNCCCClCCOCCNCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-GAGMZQZBWNYDQU_on_P14867_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-GAGMZQZBWNYDQU_on_P18507_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680431;CHEMBL682708;CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.300;  6.360;  6.290,6.317,0.031,0.022000000000000002,3.0,6.3,0.01
-GAGMZQZBWNYDQU_on_P28472_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.300;  6.360,6.33,0.03,0.03,2.0,6.33,0.03
-GAGMZQZBWNYDQU_on_P34903_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-GAGMZQZBWNYDQU_on_P47869_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-GAGMZQZBWNYDQU_on_P47870_WT,Low,ChEMBL30,CHEMBL29277,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C,GAGMZQZBWNYDQU,GAGMZQZBWNYDQU-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-3-25-16(22)10-13-7-5-9-21(13)19(24)18(23)15-11-20-17-12(2)6-4-8-14(15)17/h4,6,8,11,13,20H,3,5,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,25,2,22,9,23,8,21,10,6,17,24,7,20,16,4,19,14,12,18,11,5,15,13,3/rA:25CCOCOCCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;s16d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-GAGSUJFFXBSIDN_on_O00222_WT,High,ChEMBL30,CHEMBL4093081;CHEMBL4072316;CHEMBL4060360;CHEMBL4060360,NC(CCP(=O)(O)C(O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O,GAGSUJFFXBSIDN,GAGSUJFFXBSIDN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,15,13,20,8,1,16,14,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037499;CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.400;  4.500;  4.380;  4.140,4.355,0.132,0.076,4.0,4.39,0.06
-GAGSUJFFXBSIDN_on_O15303_WT,High,ChEMBL30,CHEMBL4093081;CHEMBL4072316;CHEMBL4060360;CHEMBL4060360,NC(CCP(=O)(O)C(O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O,GAGSUJFFXBSIDN,GAGSUJFFXBSIDN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,15,13,20,8,1,16,14,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037500;CHEMBL4037496;CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.170;  5.440;  5.220;  5.200,5.008,0.493,0.284,4.0,5.21,0.12
-GAGSUJFFXBSIDN_on_Q14831_WT,High,ChEMBL30,CHEMBL4072316;CHEMBL4060360,NC(CCP(=O)(O)C(O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O,GAGSUJFFXBSIDN,GAGSUJFFXBSIDN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,15,13,20,8,1,16,14,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501;CHEMBL4037497,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.210;  4.160,4.185,0.025,0.025,2.0,4.185,0.025
-GAGSUJFFXBSIDN_on_Q14833_WT,High,ChEMBL30,CHEMBL4060360;CHEMBL4060360;CHEMBL4072316;CHEMBL4093081,NC(CCP(=O)(O)C(O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O,GAGSUJFFXBSIDN,GAGSUJFFXBSIDN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,2,15,13,20,8,1,16,14,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498;CHEMBL4037498;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.640;  5.820;  6.300;  5.350,5.777,0.345,0.19899999999999998,4.0,5.73,0.235
-GAHLFCZVBZAZQD_on_Q13255_WT,High,ChEMBL30,CHEMBL1951680,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O,GAHLFCZVBZAZQD,GAHLFCZVBZAZQD-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2S/c1-19-14-7-9-20-17-15(14)13-8-10-21(18(22)16(13)24-17)11-3-5-12(23-2)6-4-11/h3-10H,1-2H3,(H,19,20)","""AuxInfo=1/1/N:1,20,16,22,17,21,8,12,7,13,15,18,11,3,4,10,5,23,2,6,14,24,19,9/E:(3,4)(5,6)/rA:24CNCCCNCCSCCCCNCCCCOCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-GAJHFPYRNGGGFX_on_O15399_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_O60391_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_Q12879_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAJHFPYRNGGGFX_on_Q14957_WT,Low,ChEMBL30,CHEMBL1205735,Nc1c(NCCCC(=O)O)c(=O)c1=O,GAJHFPYRNGGGFX,GAJHFPYRNGGGFX-UHFFFAOYSA-N,"InChI=1S/C8H10N2O4/c9-5-6(8(14)7(5)13)10-3-1-2-4(11)12/h10H,1-3,9H2,(H,11,12)","""AuxInfo=1/1/N:6,7,5,8,2,3,13,11,1,4,9,10,14,12/E:(11,12)/rA:14NCCNCCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s3;d11;s2s11;d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GAMSSMTVVVDEJR_on_P14867_WT,Low,ChEMBL30,CHEMBL44963,Cc1csc(-c2cc(-c3ncncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,GAMSSMTVVVDEJR,GAMSSMTVVVDEJR-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)16-9-15(18-5-7-23-12-24-18)19-17-10-22-6-4-14(17)3-2-8-26(19)21(16)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,21,3,11,2,17,8,6,16,9,15,5,26,20,12,10,28,25,27,4/rA:28CCCSCCCCCNCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-GAMSSMTVVVDEJR_on_P18507_WT,Low,ChEMBL30,CHEMBL44963,Cc1csc(-c2cc(-c3ncncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,GAMSSMTVVVDEJR,GAMSSMTVVVDEJR-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)16-9-15(18-5-7-23-12-24-18)19-17-10-22-6-4-14(17)3-2-8-26(19)21(16)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,21,3,11,2,17,8,6,16,9,15,5,26,20,12,10,28,25,27,4/rA:28CCCSCCCCCNCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.910;  8.070,7.99,0.08,0.08,2.0,7.99,0.08
-GAMSSMTVVVDEJR_on_P28472_WT,Low,ChEMBL30,CHEMBL44963,Cc1csc(-c2cc(-c3ncncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,GAMSSMTVVVDEJR,GAMSSMTVVVDEJR-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)16-9-15(18-5-7-23-12-24-18)19-17-10-22-6-4-14(17)3-2-8-26(19)21(16)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,21,3,11,2,17,8,6,16,9,15,5,26,20,12,10,28,25,27,4/rA:28CCCSCCCCCNCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.070;  7.910,7.99,0.08,0.08,2.0,7.99,0.08
-GAMSSMTVVVDEJR_on_P34903_WT,Low,ChEMBL30,CHEMBL44963,Cc1csc(-c2cc(-c3ncncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,GAMSSMTVVVDEJR,GAMSSMTVVVDEJR-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)16-9-15(18-5-7-23-12-24-18)19-17-10-22-6-4-14(17)3-2-8-26(19)21(16)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,21,3,11,2,17,8,6,16,9,15,5,26,20,12,10,28,25,27,4/rA:28CCCSCCCCCNCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-GANCFFDZYNZRLX_on_P41594_WT,High,ChEMBL30,CHEMBL3644394,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4=CCCC4)C3=C2)cn1,GANCFFDZYNZRLX,GANCFFDZYNZRLX-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c1-29-14-17-13-26(15-25-17)22-11-21-20-8-4-7-18(16-5-2-3-6-16)19(20)9-10-27(21)23(28)12-24-22/h4-5,7-8,11,13,15H,2-3,6,9-10,12,14H2,1H3","""AuxInfo=1/0/N:1,23,24,18,22,25,19,17,14,13,27,9,5,3,28,21,4,20,15,16,26,7,10,8,29,6,12,11,2/rA:29COCCCNCNCCONCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;s23;s21s24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-GANCFFDZYNZRLX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644394,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4=CCCC4)C3=C2)cn1,GANCFFDZYNZRLX,GANCFFDZYNZRLX-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c1-29-14-17-13-26(15-25-17)22-11-21-20-8-4-7-18(16-5-2-3-6-16)19(20)9-10-27(21)23(28)12-24-22/h4-5,7-8,11,13,15H,2-3,6,9-10,12,14H2,1H3","""AuxInfo=1/0/N:1,23,24,18,22,25,19,17,14,13,27,9,5,3,28,21,4,20,15,16,26,7,10,8,29,6,12,11,2/rA:29COCCCNCNCCONCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;s23;s21s24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-GAQCKHAXURZXGX_on_O00591_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_O14764_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P14867_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P18505_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P18507_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P28472_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P31644_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P34903_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P47869_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P47870_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P48169_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_P78334_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_Q16445_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAQCKHAXURZXGX_on_Q99928_WT,Low,ChEMBL30,CHEMBL83043,Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2,GAQCKHAXURZXGX,GAQCKHAXURZXGX-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O4S/c1-12-17(21(26)27-11-13-2-4-14(23)5-3-13)19(24)18-15-6-7-22(28-8-9-29-22)10-16(15)30-20(18)25-12/h2-5H,6-11H2,1H3,(H2,24,25)","""AuxInfo=1/1/N:1,14,19,15,18,25,24,27,28,22,12,2,13,16,20,21,8,5,6,4,9,23,17,7,3,10,11,26,29,30/E:(2,3)(4,5)(8,9)(28,29)/rA:30CCNCCCNCCOOCCCCCClCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s16;s13d18;s5;d20;s21;s22;s23;s20s24;s23;s26;s27;s23s28;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GAXYDHPYPPPJHR_on_Q14416_WT,High,ChEMBL30,CHEMBL2029805,Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)c1,GAXYDHPYPPPJHR,GAXYDHPYPPPJHR-UHFFFAOYSA-N,"InChI=1S/C23H23N3O2/c1-16(2)9-12-26-13-10-21(22(15-24)23(26)27)18-4-6-19(7-5-18)28-20-8-11-25-17(3)14-20/h4-8,10-11,13-14,16H,9,12H2,1-3H3","""AuxInfo=1/0/N:22,23,1,10,26,9,27,5,20,25,4,19,24,28,14,21,2,11,8,6,12,13,16,15,3,18,17,7/E:(1,2)(4,5)(6,7)/rA:28CCNCCCOCCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s21;s21;s18;s12d24;s11;s8d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-GBAXBONWYHTOEY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113073,CC1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,GBAXBONWYHTOEY,GBAXBONWYHTOEY-UHFFFAOYSA-N,"InChI=1S/C20H20F3N5O2S/c1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11/h2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26)","""AuxInfo=1/1/N:1,7,8,24,17,12,3,5,25,2,6,9,10,23,18,11,26,19,14,27,28,29,30,20,15,13,22,4,21,31,16/E:(21,22,23)/rA:31CCCNCCCCCCCCNCNSCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11s14;d10;s17;s18;s19;d19;d18;s9s22;s6d23;s4;s25;s26;s27;s27;s27;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-GBBSUAFBMRNDJC_on_P14867_WT,Medium,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL942240,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-GBBSUAFBMRNDJC_on_P18507_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL942241;CHEMBL941237,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  6.940;  6.790,6.865,0.075,0.075,2.0,6.865,0.075
-GBBSUAFBMRNDJC_on_P31644_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL942244,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-GBBSUAFBMRNDJC_on_P34903_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL941237,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-GBBSUAFBMRNDJC_on_P47869_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL942241,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-GBBSUAFBMRNDJC_on_P47870_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL942241;CHEMBL941237,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  6.940;  6.790,6.865,0.075,0.075,2.0,6.865,0.075
-GBBSUAFBMRNDJC_on_P48169_WT,Medium,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL942243,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-GBBSUAFBMRNDJC_on_Q16445_WT,Low,ChEMBL30,CHEMBL1522,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1,GBBSUAFBMRNDJC,GBBSUAFBMRNDJC-UHFFFAOYSA-N,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3","""AuxInfo=1/0/N:1,24,25,13,12,3,27,4,26,21,22,19,15,10,16,9,6,23,14,11,20,2,5,18,17,7,8/E:(6,7)(8,9)/rA:27CNCCNCOOCCNCCNCCONCNCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;d16;s9s16;s18;d19;s20;d21;s22;s22;s19d24;s5;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL942245,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-GBDJXOQJHMYYCQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978239,CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O,GBDJXOQJHMYYCQ,GBDJXOQJHMYYCQ-UHFFFAOYSA-N,"InChI=1S/C21H15FN4O2/c1-25-12-20(27)26(21(25)28)11-13-2-7-17-18(14-3-5-15(22)6-4-14)9-16(10-23)24-19(17)8-13/h2-9H,11-12H2,1H3","""AuxInfo=1/0/N:1,9,14,19,15,18,10,26,20,22,7,3,8,13,16,21,11,12,25,4,27,17,23,24,2,6,5,28/E:(3,4)(5,6)/rA:28CNCCONCCCCCCCCCCFCCCCCNNCCCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;t22;d21;s11s24;s8d25;s2s6;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-GBFDRMHEJAPDDP_on_P31644_WT,High,ChEMBL30,CHEMBL3676492,CCOC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1,GBFDRMHEJAPDDP,GBFDRMHEJAPDDP-UHFFFAOYSA-N,"InChI=1S/C26H30N4O5/c1-3-33-24(31)16-30-13-7-10-21(15-30)28-26(32)20-11-12-23(27-14-20)34-17-22-18(2)35-29-25(22)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,21H,3,7,10,13,15-17H2,1-2H3,(H,28,32)","""AuxInfo=1/1/N:1,23,2,30,29,31,9,28,32,10,16,17,8,34,35,6,20,22,27,15,11,21,18,4,26,13,33,12,25,7,5,14,3,19,24/E:(5,6)(8,9)/rA:35CCOCOCNCCCCNCOCCCCOCCCCONCCCCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;d21;s22;s22;s24;s21d25;s26;d27;s28;d29;s30;s27d31;s18;s15d33;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-GBFQHFLUHMIZDO_on_O00222_WT,High,ChEMBL30,CHEMBL4101745,NC(CCP(=O)(O)C(O)c1c(O)ccc([N+](=O)[O-])c1)C(=O)O,GBFQHFLUHMIZDO,GBFQHFLUHMIZDO-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-8(10(15)16)3-4-22(20,21)11(17)7-5-6(13(18)19)1-2-9(7)14/h1-2,5,8,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:14,13,3,4,19,15,10,2,11,20,8,1,16,12,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;d13;s14;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GBFQHFLUHMIZDO_on_Q14833_WT,High,ChEMBL30,CHEMBL4101745,NC(CCP(=O)(O)C(O)c1c(O)ccc([N+](=O)[O-])c1)C(=O)O,GBFQHFLUHMIZDO,GBFQHFLUHMIZDO-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-8(10(15)16)3-4-22(20,21)11(17)7-5-6(13(18)19)1-2-9(7)14/h1-2,5,8,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:14,13,3,4,19,15,10,2,11,20,8,1,16,12,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCOCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;d13;s14;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-GBFZVGOUNGVLDL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL551893;45271256,CC1CCC(NC(=O)c2ccc(C#Cc3ccccc3)nc2)CC1,GBFZVGOUNGVLDL,GBFZVGOUNGVLDL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O/c1-16-7-11-20(12-8-16)23-21(24)18-10-14-19(22-15-18)13-9-17-5-3-2-4-6-17/h2-6,10,14-16,20H,7-8,11-12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,18,17,19,16,20,3,24,14,10,4,23,13,11,22,2,15,9,12,5,7,21,6,8/E:(3,4)(5,6)(7,8)(11,12)/rA:24CCCCCNCOCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;PubChemAID:420101,PMID:19443216,2009.0,PMID:19443216;PubChemAID:420101,2009;2010,0,1;0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-GBGNPCMUCLQITD_on_P41594_WT,High,ChEMBL30,CHEMBL2151497,O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,GBGNPCMUCLQITD,GBGNPCMUCLQITD-UHFFFAOYSA-N,"InChI=1S/C18H18ClF2N3O2/c19-14-3-1-2-12(8-14)15-22-16(26-23-15)13-9-24(10-13)17(25)11-4-6-18(20,21)7-5-11/h1-3,8,11,13H,4-7,9-10H2","""AuxInfo=1/0/N:19,18,20,4,10,5,9,23,12,26,3,17,13,21,16,14,2,6,22,7,8,15,24,11,1,25/E:(4,5)(6,7)(9,10)(20,21)/rA:26OCCCCCFFCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s6;s6;s3s9;s2;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-GBGYIUNZAWOBJB_on_P41594_WT,High,ChEMBL30,CHEMBL272362,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cnccc2)n1,GBGYIUNZAWOBJB,GBGYIUNZAWOBJB-UHFFFAOYSA-N,"InChI=1S/C16H10F3N3/c1-11-9-22-10-13(16(17,18)19)7-15(22)14(21-11)5-4-12-3-2-6-20-8-12/h2-3,6-10H,1H3","""AuxInfo=1/0/N:1,20,21,15,14,19,11,17,3,5,2,16,6,13,12,7,8,9,10,18,22,4/E:(17,18,19)/rA:22CCCNCCCFFFCCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-GBHIELIRPCTCBL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3928860,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(Cl)nc2)c3)cn1,GBHIELIRPCTCBL,GBHIELIRPCTCBL-UHFFFAOYSA-N,"InChI=1S/C19H15ClN6O/c1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-3,5-10H,4H2,1H3,(H2,21,27)","""AuxInfo=1/1/N:1,15,14,17,25,6,19,24,26,3,16,18,4,13,5,12,7,8,21,22,9,20,23,27,11,2,10/E:(7,8)(22,23)/rA:27CNCCCCCCNONCCCCCCCCNCClNCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s12d16;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-GBHJMZUFJRCQDB_on_Q05586_WT,High,ExCAPE-DB;ChEMBL30,44443072;CHEMBL400508,CCOCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,GBHJMZUFJRCQDB,GBHJMZUFJRCQDB-UHFFFAOYSA-N,"InChI=1S/C14H17Cl2N3O5S/c1-3-24-6-4-5-19(25(2,22)23)12-10(16)8(15)7-9-11(12)18-14(21)13(20)17-9/h7H,3-6H2,1-2H3,(H,17,20)(H,18,21)","""AuxInfo=1/1/N:1,23,2,5,6,4,17,18,16,20,9,8,13,11,19,21,15,10,7,14,12,24,25,3,22/E:(22,23)/CRV:25.6/rA:25CCOCCCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d13;s9s15;d16;s17;s18;s8d18;s20;s7;s22;d22;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,PubChemAID:308473;CHEMBL887322,PMID:17562362,2007.0,PubChemAID:308473;PMID:17562362,2010;2007,0;1,0,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-GBHKIEMWEZGEJZ_on_O15399_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_O60391_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBHKIEMWEZGEJZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL291170,O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,GBHKIEMWEZGEJZ,GBHKIEMWEZGEJZ-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O3/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(15-18)8(1)16/h(H2,14,16,17)","""AuxInfo=1/1/N:16,14,12,10,8,7,3,17,4,15,13,11,9,6,2,18,5,1/rA:18ONCCONCCFCFCFCFCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;s10;s12;d12;s14;s7s14;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GBIKVRMQUHZOBO_on_P41594_WT,High,ChEMBL30,CHEMBL3655627,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1F,GBIKVRMQUHZOBO,GBIKVRMQUHZOBO-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN4O2/c17-10-1-2-15(18)14(3-10)16(23)22-11-4-12(6-19-5-11)24-13-7-20-9-21-8-13/h1-9H,(H,22,23)","""AuxInfo=1/1/N:21,22,18,16,5,7,11,15,13,19,4,8,10,17,23,2,20,24,6,12,14,3,1,9/E:(7,8)(20,21)/rA:24OCNCCNCCOCCNCNCCCCCClCCCF/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-GBJZXKAWZPIEBG_on_Q14416_WT,High,ChEMBL30,CHEMBL4075258,Cc1nc(C)c(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1,GBJZXKAWZPIEBG,GBJZXKAWZPIEBG-UHFFFAOYSA-N,"InChI=1S/C23H20ClFN4O/c1-13-3-7-19(14(2)26-13)30-20-8-6-16(12-18(20)25)17-9-10-29-21(11-15-4-5-15)27-28-23(29)22(17)24/h3,6-10,12,15H,4-5,11H2,1-2H3","""AuxInfo=1/0/N:1,5,30,22,23,27,29,28,26,25,20,11,2,4,21,12,13,9,6,8,19,14,16,15,10,3,18,17,24,7/E:(4,5)/rA:30CCNCCCOCCFCCCCClCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s13d25;s12;s8d27;s6;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.820;  7.390;  8.710,7.973,0.55,0.389,3.0,7.82,0.43
-GBLQNGDWYYUAAX_on_P41594_WT,High,ChEMBL30,CHEMBL3597584,O=C(C#Cc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1,GBLQNGDWYYUAAX,GBLQNGDWYYUAAX-UHFFFAOYSA-N,"InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2","""AuxInfo=1/0/N:8,7,9,18,6,10,19,4,3,17,12,25,13,24,5,20,2,15,16,11,14,21,1,22,23/E:(2,3)(5,6)(11,12)(13,14)(24,25)/CRV:22.5/rA:25OCCCCCCCCCNCCNCNCCCCN+OO-CC/rB:d1;s2;t3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s21;s14;s11s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599915;CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,1;0,0,0,0;1,0,,=,  9.050;  9.300,9.175,0.125,0.125,2.0,9.175,0.125
-GBOOWWICFBDHMY_on_P31644_WT,High,ChEMBL30,CHEMBL3676451,Cc1c(CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(Cl)cc2)no1,GBOOWWICFBDHMY,GBOOWWICFBDHMY-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4O4S/c1-14-18(20(25-30-14)15-2-5-17(22)6-3-15)13-24-19-7-4-16(12-23-19)21(27)26-8-10-31(28,29)11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,5,30,12,11,16,17,31,15/E:(2,3)(5,6)(8,9)(10,11)(28,29)/CRV:31.6/rA:31CCCCNCCCCCONCCSOOCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-GBOVRZZENUOOKT_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830906;53388042,CCOc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,GBOVRZZENUOOKT,GBOVRZZENUOOKT-UHFFFAOYSA-N,"InChI=1S/C16H17N5OS/c1-2-22-14-8-4-7-13(18-14)19-16-20-15-10-9-17-21-11(10)5-3-6-12(15)23-16/h4,7-9H,2-3,5-6H2,1H3,(H,17,21)(H,18,19,20)","""AuxInfo=1/1/N:1,2,15,6,16,14,7,5,19,18,17,13,8,4,12,10,20,23,9,11,21,3,22/rA:23CCOCCCCCNCNCCCCCCCCNNSN/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s12d17;s18;d19;s17s20;s10s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  6.540;  6.538,6.539,0.001,0.001,2.0,6.539,0.001
-GBQMBYCOMUWBGL_on_P41594_WT,High,ChEMBL30,CHEMBL2349541,Cc1ccc(-c2c(C)c(C(=O)Nc3cccc(C)n3)nn2C)cc1,GBQMBYCOMUWBGL,GBQMBYCOMUWBGL-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-12-8-10-15(11-9-12)18-14(3)17(22-23(18)4)19(24)21-16-7-5-6-13(2)20-16/h5-11H,1-4H3,(H,20,21,24)","""AuxInfo=1/1/N:1,18,8,22,15,16,14,3,24,4,23,2,17,7,5,13,9,6,10,19,12,20,21,11/E:(8,9)(10,11)/rA:24CCCCCCCCCCONCCCCCCNNNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s17;s13d17;d9;s6s20;s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-GBRGSWIULNXBMV_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46225359;CHEMBL594236,Clc1cnc(N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)nc1,GBRGSWIULNXBMV,GBRGSWIULNXBMV-UHFFFAOYSA-N,"InChI=1S/C23H23ClN6/c24-19-14-25-23(26-15-19)29-12-10-28(11-13-29)17-22-27-20-8-4-5-9-21(20)30(22)16-18-6-2-1-3-7-18/h1-9,14-15H,10-13,16-17H2","""AuxInfo=1/0/N:24,23,25,15,16,22,26,14,17,8,27,7,28,3,30,20,10,21,2,13,18,11,5,1,4,29,12,9,6,19/E:(2,3)(6,7)(10,11)(12,13)(14,15)(25,26)/rA:30ClCCNCNCCNCCNCCCCCCNCCCCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s18;s19;s20;d21;s22;d23;s24;s21d25;s9;s6s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:453995;CHEMBL1071915,PMID:20005096,2010.0,PubChemAID:453995;PMID:20005096,2010,0,0;1,0,0,1;0,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-GBXBLCKGNHBAHJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113208,CCc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OC,GBXBLCKGNHBAHJ,GBXBLCKGNHBAHJ-UHFFFAOYSA-N,"InChI=1S/C23H27N3O2/c1-5-17-6-7-19(13-21(17)27-4)23-25-22(18-8-10-24-15(2)12-18)20-9-11-28-16(3)14-26(20)23/h6-8,10,12-13,16H,5,9,11,14H2,1-4H3","""AuxInfo=1/0/N:1,15,22,28,2,4,5,11,18,12,19,16,25,23,14,21,3,10,6,17,26,9,7,13,8,24,27,20/rA:28CCCCCCCNCCCCNCCCCCCOCCCNCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;s6;s3d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-GCCRJQIBIKESRK_on_P41594_WT,High,ChEMBL30,CHEMBL3911049,N#Cc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]nc2C1CC1,GCCRJQIBIKESRK,GCCRJQIBIKESRK-UHFFFAOYSA-N,"InChI=1S/C22H16N4/c23-13-17-18(14-7-3-1-4-8-14)19-21(16-11-12-16)25-26-22(19)24-20(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,24,25,26)","""AuxInfo=1/1/N:8,18,7,9,17,19,6,10,16,20,25,26,2,5,15,24,3,4,11,14,23,12,1,13,22,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26NCCCCCCCCCCCNCCCCCCCNNCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s3d13;s14;d15;s16;d17;s18;s15d19;s12;s21;s11d22;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-GCDIAKOXXFRRPE_on_O15399_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_O60391_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_Q05586_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_Q12879_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_Q13224_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCDIAKOXXFRRPE_on_Q14957_WT,Low,ChEMBL30,CHEMBL81539,N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1,GCDIAKOXXFRRPE,GCDIAKOXXFRRPE-UHFFFAOYSA-N,"InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)","""AuxInfo=1/1/N:11,22,12,23,10,21,13,24,5,16,4,15,2,6,17,7,8,9,18,19,20,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(23,24)/rA:24NCNCCCFFFCCCCNCCCFFFCCCC/rB:d1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s4d12;s2;s14;d15;s16;s17;s17;s17;s16;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-GCLBWZDJXWXHIS_on_P41594_WT,High,ChEMBL30,CHEMBL3605295,O=C(c1c2cnccc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2,GCLBWZDJXWXHIS,GCLBWZDJXWXHIS-UHFFFAOYSA-N,"InChI=1S/C20H17N5O3/c26-20(19-14-10-21-8-6-15(14)23-24-19)25-9-7-16-17(11-25)28-18(22-16)12-27-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,23,24)","""AuxInfo=1/1/N:25,24,26,23,27,8,14,7,13,5,17,20,22,4,9,15,16,19,3,2,6,28,10,11,12,1,21,18/E:(2,3)(4,5)/rA:28OCCCCNCCCNNNCCCCCOCCOCCCCCCN/rB:d1;s2;d3;s4;d5;s6;d7;s4s8;d9;s3s10;s2;s12;s13;s14;d15;s12s16;s16;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-GCOSADAXDBAUJR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108383,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)cc(C)n1,GCOSADAXDBAUJR,GCOSADAXDBAUJR-UHFFFAOYSA-N,"InChI=1S/C21H21ClFN3O/c1-12-8-16(9-13(2)24-12)20-19-6-7-27-14(3)11-26(19)21(25-20)15-4-5-17(22)18(23)10-15/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,26,11,16,17,7,8,3,24,22,12,2,25,10,15,4,18,20,6,5,14,19,21,27,23,13,9/E:(1,2)(8,9)(12,13)/rA:27CCCCCCCCOCCCNCCCCCClCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-GCQCHHXBXNFIHR_on_Q14833_WT,High,ExCAPE-DB,56587830,Clc1cccc(Nc2ncnc3cccnc23)c1,GCQCHHXBXNFIHR,GCQCHHXBXNFIHR-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4/c14-9-3-1-4-10(7-9)18-13-12-11(16-8-17-13)5-2-6-15-12/h1-8H,(H,16,17,18)","""AuxInfo=1/1/N:4,14,3,5,13,15,18,10,2,6,12,17,8,1,16,11,9,7/rA:18ClCCCCCNCNCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.141,5.141,0.0,0.0,1.0,5.141,0.0
-GCQMRMPNHPBXIY_on_P41594_WT,High,ChEMBL30,CHEMBL3694792,Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1,GCQMRMPNHPBXIY,GCQMRMPNHPBXIY-UHFFFAOYSA-N,"InChI=1S/C16H12FN5O2/c1-10-2-3-20-16(21-10)22-15(23)11-4-12(17)6-13(5-11)24-14-7-18-9-19-8-14/h2-9H,1H3,(H,20,21,22,23)","""AuxInfo=1/1/N:1,3,4,11,23,14,18,22,20,2,10,12,15,17,8,6,13,19,21,5,24,7,9,16/E:(7,8)(18,19)/rA:24CCCCNCNCOCCCFCCOCCNCNCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d15;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GCSDBTCZHROCLZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,CHEMBL1808901;53380924;56663548;CHEMBL1808901;CHEMBL1808872;CHEMBL1808872,Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1,GCSDBTCZHROCLZ,GCSDBTCZHROCLZ-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,24,18,25,3,11,13,2,5,9,14,4,15,22,20,10,23,12,19,21,26/rA:26CCCCCCCCCClCNCCCCCCNCOCNCCS/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s5d9;d4;s12;s2d13;s14;s15;s16;s17;s15s18;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;PubChemAID:609898;PubChemAID:609897;CHEMBL1810055;CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343;PubChemAID:609898;PubChemAID:609897;PMID:21757343;PMID:21757343;PMID:21757343,2011;2012;2012;2011;2011;2011,1;0;0;0;0;1,0,0,0;0;0;1;1;0,0;1;1;0;0;0,,=,  7.770;  7.921;  7.854;  7.920;  7.720;  7.850,7.8389999999999995,0.07400000000000001,0.033,6.0,7.852,0.068
-GCSRDJACUSRHBX_on_O00591_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_O14764_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P14867_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P18505_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P18507_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P28472_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P31644_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P34903_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P47869_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P47870_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P48169_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_P78334_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_Q16445_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCSRDJACUSRHBX_on_Q99928_WT,Low,ChEMBL30,CHEMBL93895,Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2,GCSRDJACUSRHBX,GCSRDJACUSRHBX-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,19,18,9,20,6,16,4,13,5,14,2,11,17,3,12,10,1,15/rA:20OCNCCCCCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GCTGWUUTZLTQAR_on_P14867_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-GCTGWUUTZLTQAR_on_P18507_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111451;CHEMBL1111450;CHEMBL1111449;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.560;  6.500;  6.330;  9.050,7.11,1.123,0.648,4.0,6.53,0.115
-GCTGWUUTZLTQAR_on_P28472_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111450;CHEMBL1111451;CHEMBL1111449;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.500;  6.560;  6.330;  9.050,7.11,1.123,0.648,4.0,6.53,0.115
-GCTGWUUTZLTQAR_on_P31644_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-GCTGWUUTZLTQAR_on_P34903_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-GCTGWUUTZLTQAR_on_P47869_WT,Low,ChEMBL30,CHEMBL1081861,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1,GCTGWUUTZLTQAR,GCTGWUUTZLTQAR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:13,1,22,23,19,6,10,15,12,2,20,18,17,11,7,5,24,21,14,26,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-GCTOZKWOFVUEAW_on_O00591_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_O14764_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P14867_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P18505_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P18507_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P28472_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P31644_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P34903_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P47869_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P47870_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P48169_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_P78334_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_Q16445_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCTOZKWOFVUEAW_on_Q99928_WT,Low,ChEMBL30,CHEMBL360215,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1,GCTOZKWOFVUEAW,GCTOZKWOFVUEAW-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-3-2-4-9(5-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,30,28,22,9,15,21,23,10,7,16,20,6,18,3,24,11,8,17,25,26,27,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCFFFCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GCUABLSBNKJXKH_on_P41594_WT,Medium,ChEMBL30,CHEMBL187242,O=[N+]([O-])c1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,GCUABLSBNKJXKH,GCUABLSBNKJXKH-UHFFFAOYSA-N,InChI=1S/C18H11FN6O2/c19-13-9-12(15-5-1-2-7-17(15)25(26)27)10-14(11-13)24-22-18(21-23-24)16-6-3-4-8-20-16/h1-11H,"""AuxInfo=1/0/N:25,26,20,19,24,21,27,18,7,23,10,6,8,11,5,16,4,15,9,17,14,22,13,12,2,1,3/E:(26,27)/CRV:25.5/rA:27ON+O-CCCCCFCCNNNCCNCCCCNCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s6d11;s5;d24;s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GCWNPFXYRDYOET_on_P41594_WT,High,ChEMBL30,CHEMBL2403698,CC1CCCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1,GCWNPFXYRDYOET,GCWNPFXYRDYOET-UHFFFAOYSA-N,"InChI=1S/C22H24N2OS/c1-16-6-5-9-18(14-16)22(25)24-13-12-19-20(15-24)26-21(23-19)11-10-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9,12-15H2,1H3","""AuxInfo=1/0/N:1,22,21,23,4,3,20,24,5,18,17,11,10,26,14,2,19,6,12,13,16,7,25,9,8,15/E:(3,4)(7,8)/rA:26CCCCCCCONCCCCCSCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-GDAIFLQUBHLAMS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110332,COc1ccc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F,GDAIFLQUBHLAMS,GDAIFLQUBHLAMS-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-8-16(9-17(11-24)28-13)21-18-6-7-32-14(2)12-30(18)22(29-21)15-4-5-19(31-3)20(10-15)33-23(25,26)27/h4-5,8-10,14H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:13,24,1,5,4,20,21,11,18,27,16,25,12,23,6,10,15,19,3,28,9,7,30,17,31,32,33,14,8,26,2,22,29/E:(25,26,27)/rA:33COCCCCCNCCCCCNCCFCCCCOCCCNCCOCFFF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s10d15;d9;s19;s20;s21;s22;s23;s23;s7s19s25;s6;s3d27;s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-GDCJELDNRAWYTE_on_P14867_WT,Low,ChEMBL30,CHEMBL89828,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(OC)cc1,GDCJELDNRAWYTE,GDCJELDNRAWYTE-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3","""AuxInfo=1/0/N:1,12,15,20,2,11,3,10,22,17,21,16,5,8,4,7,9,6,13,18,14,19/rA:22CCCCCCCCCCCCCOCCCCOCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s19;s18;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-GDCJELDNRAWYTE_on_P47870_WT,Low,ChEMBL30,CHEMBL89828,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(OC)cc1,GDCJELDNRAWYTE,GDCJELDNRAWYTE-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3","""AuxInfo=1/0/N:1,12,15,20,2,11,3,10,22,17,21,16,5,8,4,7,9,6,13,18,14,19/rA:22CCCCCCCCCCCCCOCCCCOCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s19;s18;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-GDDLQXVWJDDCBC_on_P41594_WT,High,ChEMBL30,CHEMBL3644379,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)n4)C=C32)co1,GDDLQXVWJDDCBC,GDDLQXVWJDDCBC-UHFFFAOYSA-N,"InChI=1S/C22H20N6O2/c1-13-25-18(11-30-13)16-3-2-4-17-15(16)7-8-27-19(17)9-20(23-10-21(27)29)28-12-24-22(26-28)14-5-6-14/h2-4,9,11-12,14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,6,8,24,25,11,12,27,16,29,20,2,23,10,5,9,4,28,18,14,22,17,21,3,26,13,19,15,30/E:(5,6)/rA:30CCNCCCCCCCCCNCOCNCNCNCCCCNCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;d4;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GDDLQXVWJDDCBC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644379,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)n4)C=C32)co1,GDDLQXVWJDDCBC,GDDLQXVWJDDCBC-UHFFFAOYSA-N,"InChI=1S/C22H20N6O2/c1-13-25-18(11-30-13)16-3-2-4-17-15(16)7-8-27-19(17)9-20(23-10-21(27)29)28-12-24-22(26-28)14-5-6-14/h2-4,9,11-12,14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,6,8,24,25,11,12,27,16,29,20,2,23,10,5,9,4,28,18,14,22,17,21,3,26,13,19,15,30/E:(5,6)/rA:30CCNCCCCCCCCCNCOCNCNCNCCCCNCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;d4;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDDQCBXGUOULOB_on_P14867_WT,Medium,ChEMBL30,CHEMBL343009,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cc(F)cc3)cn12,GDDQCBXGUOULOB,GDDQCBXGUOULOB-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,26,27,16,15,23,8,6,28,9,24,20,5,21,4,19,17,2,25,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s24;s20d26;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GDDQCBXGUOULOB_on_P31644_WT,Medium,ChEMBL30,CHEMBL343009,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cc(F)cc3)cn12,GDDQCBXGUOULOB,GDDQCBXGUOULOB-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,26,27,16,15,23,8,6,28,9,24,20,5,21,4,19,17,2,25,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s24;s20d26;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDDQCBXGUOULOB_on_P34903_WT,Medium,ChEMBL30,CHEMBL343009,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cc(F)cc3)cn12,GDDQCBXGUOULOB,GDDQCBXGUOULOB-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,26,27,16,15,23,8,6,28,9,24,20,5,21,4,19,17,2,25,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s24;s20d26;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-GDDQCBXGUOULOB_on_P47869_WT,Medium,ChEMBL30,CHEMBL343009,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cc(F)cc3)cn12,GDDQCBXGUOULOB,GDDQCBXGUOULOB-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,26,27,16,15,23,8,6,28,9,24,20,5,21,4,19,17,2,25,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s24;s20d26;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GDELUTDICYGXSV_on_O00222_WT,High,ChEMBL30,CHEMBL4061423,NC(CCP(=O)(O)C(O)c1csc([N+](=O)[O-])c1)C(=O)O,GDELUTDICYGXSV,GDELUTDICYGXSV-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,8,1,14,19,20,9,15,16,6,7,5,12/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.420;  6.290,6.355,0.065,0.065,2.0,6.355,0.065
-GDELUTDICYGXSV_on_O15303_WT,High,ChEMBL30,CHEMBL4061423,NC(CCP(=O)(O)C(O)c1csc([N+](=O)[O-])c1)C(=O)O,GDELUTDICYGXSV,GDELUTDICYGXSV-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,8,1,14,19,20,9,15,16,6,7,5,12/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-GDELUTDICYGXSV_on_Q14831_WT,Low,ChEMBL30,CHEMBL4061423,NC(CCP(=O)(O)C(O)c1csc([N+](=O)[O-])c1)C(=O)O,GDELUTDICYGXSV,GDELUTDICYGXSV-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,8,1,14,19,20,9,15,16,6,7,5,12/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037497,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.379,3.3789999999999996,0.0,0.0,1.0,3.3789999999999996,0.0
-GDELUTDICYGXSV_on_Q14833_WT,High,ChEMBL30,CHEMBL4061423,NC(CCP(=O)(O)C(O)c1csc([N+](=O)[O-])c1)C(=O)O,GDELUTDICYGXSV,GDELUTDICYGXSV-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,18,8,1,14,19,20,9,15,16,6,7,5,12/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.800;  6.720,6.76,0.04,0.04,2.0,6.76,0.04
-GDFHXFJBKUMHMG_on_O15399_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_O60391_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_Q05586_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_Q12879_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_Q13224_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDFHXFJBKUMHMG_on_Q14957_WT,Low,ChEMBL30,CHEMBL82247,Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1,GDFHXFJBKUMHMG,GDFHXFJBKUMHMG-UHFFFAOYSA-N,"InChI=1S/C22H21N3/c1-17-9-5-7-13-20(17)24-22(23)25-21-14-8-6-12-19(21)16-15-18-10-3-2-4-11-18/h2-16H,1H3,(H3,23,24,25)","""AuxInfo=1/1/N:1,19,18,20,24,11,23,10,25,17,21,12,22,9,15,14,2,16,13,3,8,5,6,4,7/E:(3,4)(10,11)/rA:25CCCNCNNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s11;s8d12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDQHTINQBXUUJK_on_P14867_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-GDQHTINQBXUUJK_on_P18507_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.140;  6.420,6.28,0.14,0.14,2.0,6.28,0.14
-GDQHTINQBXUUJK_on_P28472_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.140;  6.420,6.28,0.14,0.14,2.0,6.28,0.14
-GDQHTINQBXUUJK_on_P31644_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GDQHTINQBXUUJK_on_P34903_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-GDQHTINQBXUUJK_on_P47869_WT,Low,ChEMBL30,CHEMBL54211,c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,GDQHTINQBXUUJK,GDQHTINQBXUUJK-UHFFFAOYSA-N,"InChI=1S/C23H18N4O/c1-3-9-17(10-4-1)15-16-28-23-20-14-8-7-13-19(20)22-25-24-21(27(22)26-23)18-11-5-2-6-12-18/h1-14H,15-16H2","""AuxInfo=1/0/N:1,15,2,28,14,16,25,24,3,27,13,17,26,23,5,6,4,12,21,22,11,20,8,18,19,9,10,7/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GDQNOTYVCITTNA_on_P41594_WT,High,ChEMBL30,CHEMBL3702411,O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(I)ccc3,GDQNOTYVCITTNA,GDQNOTYVCITTNA-UHFFFAOYSA-N,"InChI=1S/C17H12F3IN4O/c18-17(19,20)14-8-24(9-23-14)15-6-13-11-2-1-3-12(21)10(11)4-5-25(13)16(26)7-22-15/h1-3,6,8-9H,4-5,7H2","""AuxInfo=1/0/N:25,26,24,19,20,15,3,14,7,18,17,22,16,9,5,2,10,11,12,13,23,4,8,6,21,1/E:(18,19,20)/rA:26OCCNCNCNCCFFFCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;d22;s24;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-GDQNOTYVCITTNA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702411,O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(I)ccc3,GDQNOTYVCITTNA,GDQNOTYVCITTNA-UHFFFAOYSA-N,"InChI=1S/C17H12F3IN4O/c18-17(19,20)14-8-24(9-23-14)15-6-13-11-2-1-3-12(21)10(11)4-5-25(13)16(26)7-22-15/h1-3,6,8-9H,4-5,7H2","""AuxInfo=1/0/N:25,26,24,19,20,15,3,14,7,18,17,22,16,9,5,2,10,11,12,13,23,4,8,6,21,1/E:(18,19,20)/rA:26OCCNCNCNCCFFFCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;d22;s24;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GDQYYNQUUMOJTJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1223162,O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccccn1,GDQYYNQUUMOJTJ,GDQYYNQUUMOJTJ-UHFFFAOYSA-N,"InChI=1S/C16H17N3O3S/c20-16(15-3-1-2-10-17-15)19-13-6-8-14(9-7-13)23(21,22)18-11-12-4-5-12/h1-3,6-10,12,18H,4-5,11H2,(H,19,20)","""AuxInfo=1/1/N:20,21,19,14,15,5,17,6,16,22,12,13,4,7,18,2,23,11,3,1,9,10,8/E:(4,5)(6,7)(8,9)(21,22)/CRV:23.6/rA:23OCNCCCCSOONCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;s12;s13;s13s14;s7;s4d16;s2;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-GDTCTGVPWSLKDA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2338570;71717108,COc1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)c1,GDTCTGVPWSLKDA,GDTCTGVPWSLKDA-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-27-19-10-3-6-15(12-19)21(26)24-18-9-4-8-17(13-18)23-20(25)14-5-2-7-16(22)11-14/h2-3,5-7,10-12,17-18H,4,8-9,13H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,24,5,13,25,6,23,14,12,4,20,27,26,19,7,21,15,11,3,17,8,22,16,10,18,9,2/rA:27COCCCCCCONCCCCCNCOCCCClCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;s21;d21;s23;s19d24;s11s15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;PubChemAID:729738,PMID:23357634,2013.0,PMID:23357634;PubChemAID:729738,2013,1;0,0,0,0,0;1,,=,  6.100;  6.103,6.101,0.002,0.002,2.0,6.101,0.002
-GDTOGQSLXZZPET_on_P41594_WT,High,ChEMBL30,CHEMBL2153794,CCn1ccnc1-c1c[nH]c2c1cc(C)nc2C(=O)Nc1nn(C)cc1,GDTOGQSLXZZPET,GDTOGQSLXZZPET-UHFFFAOYSA-N,"InChI=1S/C18H19N7O/c1-4-25-8-6-19-17(25)13-10-20-15-12(13)9-11(2)21-16(15)18(26)22-14-5-7-24(3)23-14/h5-10,20H,4H2,1-3H3,(H,22,23,26)","""AuxInfo=1/1/N:1,15,24,2,26,5,25,4,13,9,14,12,8,21,11,17,7,18,6,10,16,20,22,23,3,19/rA:26CCNCCNCCCNCCCCCNCCONCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s10;s8d11;s12;d13;s14;s14;s11d16;s17;d18;s18;s20;d21;s22;s23;s23;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-GDTZBWBCGLHXPK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112136,COc1ccc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)cc1Cl,GDTZBWBCGLHXPK,GDTZBWBCGLHXPK-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O2/c1-12-8-15(10-17(26-12)21(24)25)20-18-6-7-30-13(2)11-28(18)22(27-20)14-4-5-19(29-3)16(23)9-14/h4-5,8-10,13,21H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:13,25,1,5,4,21,22,11,28,19,26,12,24,6,10,29,15,20,3,9,16,7,30,17,18,14,8,27,2,23/E:(24,25)/rA:30COCCCCCNCCCCCNCCFFCCCCOCCCNCCCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s16;s10d15;d9;s20;s21;s22;s23;s24;s24;s7s20s26;s6;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-GDUHETXGOMJGEZ_on_P41594_WT,Low,ChEMBL30,CHEMBL1684113,COc1ccc(C#Cc2ccc3C(=O)NCCc3c2)cc1,GDUHETXGOMJGEZ,GDUHETXGOMJGEZ-UHFFFAOYSA-N,"InChI=1S/C18H15NO2/c1-21-16-7-4-13(5-8-16)2-3-14-6-9-17-15(12-14)10-11-19-18(17)20/h4-9,12H,10-11H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,7,8,5,20,10,4,21,11,17,16,19,6,9,18,3,12,13,15,14,2/E:(4,5)(7,8)/rA:21COCCCCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s12s17;s9d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDVGLPNNOCDLLD_on_O00591_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_O14764_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P14867_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P18505_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P18507_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P28472_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P31644_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P34903_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P47869_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P47870_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P48169_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_P78334_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_Q16445_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVGLPNNOCDLLD_on_Q99928_WT,Low,ChEMBL30,CHEMBL185204,COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,GDVGLPNNOCDLLD,GDVGLPNNOCDLLD-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2F3N3O2S/c1-28-10-4-5-11(14(8-10)29-2)15-17(25)27(26-18(15)30-3)16-12(20)6-9(7-13(16)21)19(22,23)24/h4-8H,25H2,1-3H3","""AuxInfo=1/0/N:1,7,28,30,29,16,22,4,17,3,8,14,23,5,9,13,10,26,18,15,24,19,20,21,11,25,12,2,6,27/E:(6,7)(12,13)(20,21)(22,23,24)/rA:30COCCCOCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;s12;s9d25;s26;s27;s8;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-GDVNQKVCHGCMOM_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109394;CHEMBL425462,Cc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1,GDVNQKVCHGCMOM,GDVNQKVCHGCMOM-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-15-5-2-3-6-17(15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-4-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,5,21,3,6,14,24,20,22,13,25,16,8,2,15,7,18,10,19,23,17,12,11,9/E:(7,8)(9,10)(11,12)(20,21)/rA:25CCCCCCCCOCONCCCCNCNCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  6.644;  6.640,6.642,0.002,0.002,2.0,6.642,0.002
-GDWBSCCAOFXRIJ_on_P41594_WT,Low,ChEMBL30,CHEMBL371254,Cc1nc(C#Cc2ccc3[nH]ccc3c2)cs1,GDWBSCCAOFXRIJ,GDWBSCCAOFXRIJ-UHFFFAOYSA-N,"InChI=1S/C14H10N2S/c1-10-16-13(9-17-10)4-2-11-3-5-14-12(8-11)6-7-15-14/h3,5-9,15H,1H3","""AuxInfo=1/0/N:1,6,8,5,9,13,12,15,16,2,7,14,4,10,11,3,17/rA:17CCNCCCCCCCNCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;d12;s10s13;s7d14;d4;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GDZIUBTYOLVIME_on_Q14416_WT,High,ChEMBL30,CHEMBL1097656,O=C1OC(COc2ccccc2Cl)CN1c1ccccc1,GDZIUBTYOLVIME,GDZIUBTYOLVIME-UHFFFAOYSA-N,"InChI=1S/C16H14ClNO3/c17-14-8-4-5-9-15(14)20-11-13-10-18(16(19)21-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2","""AuxInfo=1/0/N:19,18,20,10,9,17,21,11,8,14,5,16,4,12,7,2,13,15,1,6,3/E:(2,3)(6,7)/rA:21OCOCCOCCCCCCClCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s4;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-GEABYMBFDXCSFH_on_P41594_WT,Low,ChEMBL30,CHEMBL1784078,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O,GEABYMBFDXCSFH,GEABYMBFDXCSFH-UHFFFAOYSA-N,"InChI=1S/C19H11N5OS2/c1-2-6-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-3-4-13-11(8-12)5-7-26-13/h1,3-5,7-10H,6H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,23,3,22,25,9,15,24,17,20,6,13,12,5,7,26,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCSCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-GEABYMBFDXCSFH_on_Q13255_WT,High,ChEMBL30,CHEMBL1784078,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O,GEABYMBFDXCSFH,GEABYMBFDXCSFH-UHFFFAOYSA-N,"InChI=1S/C19H11N5OS2/c1-2-6-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-3-4-13-11(8-12)5-7-26-13/h1,3-5,7-10H,6H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,23,3,22,25,9,15,24,17,20,6,13,12,5,7,26,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCSCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-GEEFQPZFVXQGCJ_on_O15399_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_O60391_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEEFQPZFVXQGCJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL441460,Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,GEEFQPZFVXQGCJ,GEEFQPZFVXQGCJ-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-3-11-7(12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,8,3,7,9,6,5,14,11,10,4,18,16,2,15,12,13,17/E:(16,17)/rA:18CNCNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GEFDSAOHFGLQEZ_on_O00591_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_O14764_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P18505_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P18507_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P28472_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P31644_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P34903_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P41594_WT,High,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.140;  7.580,7.36,0.22,0.22,2.0,7.36,0.22
-GEFDSAOHFGLQEZ_on_P47869_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P48169_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_P78334_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEFDSAOHFGLQEZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410209,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,GEFDSAOHFGLQEZ,GEFDSAOHFGLQEZ-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,3,9,18,2,4,7,12,8,11,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GEGODDDJGHCCEK_on_P41594_WT,High,ChEMBL30,CHEMBL2403675,CC(C)CN1CCc2c(C1)sc(C#Cc1ccccc1)n2,GEGODDDJGHCCEK,GEGODDDJGHCCEK-UHFFFAOYSA-N,"InChI=1S/C18H20N2S/c1-14(2)12-20-11-10-16-17(13-20)21-18(19-16)9-8-15-6-4-3-5-7-15/h3-7,14H,10-13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,14,13,7,6,4,10,2,15,8,9,12,21,5,11/E:(1,2)(4,5)(6,7)/rA:21CCCCNCCCCCSCCCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s5s9;s9;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-GEIOXZFFDIRFRZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3975050,Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,GEIOXZFFDIRFRZ,GEIOXZFFDIRFRZ-UHFFFAOYSA-N,"InChI=1S/C17H14ClF3N4O/c1-9-2-5-14-22-11(6-15(26)25(14)16(9)10-3-4-10)8-24-13(18)7-12(23-24)17(19,20)21/h2,5-7,10H,3-4,8H2,1H3","""AuxInfo=1/0/N:1,26,5,6,25,10,20,12,2,4,11,15,21,24,8,3,16,22,17,18,19,23,14,13,7,9/E:(3,4)(19,20,21)/rA:26CCCCCCNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;s4;s4s5;s3;s7;d8;s8;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s13d20;s21;s11;s7d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-GEIOXZFFDIRFRZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3975050,Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,GEIOXZFFDIRFRZ,GEIOXZFFDIRFRZ-UHFFFAOYSA-N,"InChI=1S/C17H14ClF3N4O/c1-9-2-5-14-22-11(6-15(26)25(14)16(9)10-3-4-10)8-24-13(18)7-12(23-24)17(19,20)21/h2,5-7,10H,3-4,8H2,1H3","""AuxInfo=1/0/N:1,26,5,6,25,10,20,12,2,4,11,15,21,24,8,3,16,22,17,18,19,23,14,13,7,9/E:(3,4)(19,20,21)/rA:26CCCCCCNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;s4;s4s5;s3;s7;d8;s8;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s13d20;s21;s11;s7d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-GEKXNHNZPTWHCM_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013198,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CNC1CCCC1,GEKXNHNZPTWHCM,GEKXNHNZPTWHCM-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-11-10-16-18(15(17)12-20-14-8-4-5-9-14)22-19(21-16)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,20,23H,4-5,8-9,12H2,(H,21,22)","""AuxInfo=1/1/N:11,10,12,21,22,9,13,20,23,4,3,17,8,19,16,5,2,15,7,18,6,14,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-GEKXNHNZPTWHCM_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70693725;CHEMBL2013198,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CNC1CCCC1,GEKXNHNZPTWHCM,GEKXNHNZPTWHCM-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-11-10-16-18(15(17)12-20-14-8-4-5-9-14)22-19(21-16)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,20,23H,4-5,8-9,12H2,(H,21,22)","""AuxInfo=1/1/N:11,10,12,21,22,9,13,20,23,4,3,17,8,19,16,5,2,15,7,18,6,14,1/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  7.500;  7.500,7.5,0.0,0.0,2.0,7.5,0.0
-GELAFISMURFRCA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164544;9816778,N#Cc1cc(-c2nc(-c3ncccc3)no2)cc(F)c1,GELAFISMURFRCA,GELAFISMURFRCA-UHFFFAOYSA-N,InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H,"""AuxInfo=1/0/N:13,12,14,11,4,20,17,2,3,5,18,9,8,6,19,1,10,7,15,16/rA:20NCCCCCNCCNCCCCNOCCFC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s6s15;d5;s17;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  7.600;  7.602,7.601,0.001,0.001,2.0,7.601,0.001
-GELHHLDBKJJPSS_on_O00222_WT,High,ChEMBL30,CHEMBL4065496,NC(CCP(=O)(O)C(O)c1ccc(O)cc1)C(=O)O,GELHHLDBKJJPSS,GELHHLDBKJJPSS-UHFFFAOYSA-N,"InChI=1S/C11H16NO6P/c12-9(10(14)15)5-6-19(17,18)11(16)7-1-3-8(13)4-2-7/h1-4,9,11,13,16H,5-6,12H2,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,16,12,15,3,4,10,13,2,17,8,1,14,18,19,9,6,7,5/E:(1,2)(3,4)(14,15)(17,18)/rA:19NCCCPOOCOCCCCOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s10d15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-GELHHLDBKJJPSS_on_Q14833_WT,High,ChEMBL30,CHEMBL4065496,NC(CCP(=O)(O)C(O)c1ccc(O)cc1)C(=O)O,GELHHLDBKJJPSS,GELHHLDBKJJPSS-UHFFFAOYSA-N,"InChI=1S/C11H16NO6P/c12-9(10(14)15)5-6-19(17,18)11(16)7-1-3-8(13)4-2-7/h1-4,9,11,13,16H,5-6,12H2,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,16,12,15,3,4,10,13,2,17,8,1,14,18,19,9,6,7,5/E:(1,2)(3,4)(14,15)(17,18)/rA:19NCCCPOOCOCCCCOCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s10d15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-GELNMYYLYMWTIJ_on_P41594_WT,High,ChEMBL30,CHEMBL3605286,O=C(c1ccc(F)c(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,GELNMYYLYMWTIJ,GELNMYYLYMWTIJ-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O3/c21-13-2-1-3-14(9-13)27-11-19-24-17-6-7-25(10-18(17)28-19)20(26)12-4-5-15(22)16(23)8-12/h1-5,8-9H,6-7,10-11H2","""AuxInfo=1/0/N:26,25,27,4,5,13,12,10,22,16,19,3,23,21,6,8,14,15,18,2,24,7,9,28,11,1,20,17/rA:28OCCCCCFCFCNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.660;  6.650,6.655,0.005,0.005,2.0,6.655,0.005
-GEMAESHGCQCSBL_on_Q14416_WT,High,ChEMBL30,CHEMBL182822,Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O,GEMAESHGCQCSBL,GEMAESHGCQCSBL-UHFFFAOYSA-N,"InChI=1S/C25H27NO3S/c1-17-23(10-9-21(24(17)28)22(27)15-25(2,3)4)29-16-18-5-7-19(8-6-18)30-20-11-13-26-14-12-20/h5-14,28H,15-16H2,1-4H3","""AuxInfo=1/0/N:1,26,27,28,7,18,8,17,20,19,12,16,13,15,24,5,2,6,9,11,21,22,3,29,25,14,23,30,4,10/E:(2,3,4)(5,6)(7,8)(11,12)(13,14)/rA:30CCCOCCCCCSCCCNCCCCCCCCOCCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6d17;s3;d19;s20;s21;d22;s22;s24;s25;s25;s25;s2d21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-GEOJTCOUSFGWHX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760310,CN1CCCC(c2ccccc2)(N2CCCCC2)C1=O,GEOJTCOUSFGWHX,GEOJTCOUSFGWHX-UHFFFAOYSA-N,"InChI=1S/C17H24N2O/c1-18-12-8-11-17(16(18)20,15-9-4-2-5-10-15)19-13-6-3-7-14-19/h2,4-5,9-10H,3,6-8,11-14H2,1H3","""AuxInfo=1/0/N:1,10,16,9,11,15,17,4,8,12,5,3,14,18,7,19,6,2,13,20/E:(4,5)(6,7)(9,10)(13,14)/rA:20CNCCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GEOJTCOUSFGWHX_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760310,CN1CCCC(c2ccccc2)(N2CCCCC2)C1=O,GEOJTCOUSFGWHX,GEOJTCOUSFGWHX-UHFFFAOYSA-N,"InChI=1S/C17H24N2O/c1-18-12-8-11-17(16(18)20,15-9-4-2-5-10-15)19-13-6-3-7-14-19/h2,4-5,9-10H,3,6-8,11-14H2,1H3","""AuxInfo=1/0/N:1,10,16,9,11,15,17,4,8,12,5,3,14,18,7,19,6,2,13,20/E:(4,5)(6,7)(9,10)(13,14)/rA:20CNCCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GEOJTCOUSFGWHX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760310,CN1CCCC(c2ccccc2)(N2CCCCC2)C1=O,GEOJTCOUSFGWHX,GEOJTCOUSFGWHX-UHFFFAOYSA-N,"InChI=1S/C17H24N2O/c1-18-12-8-11-17(16(18)20,15-9-4-2-5-10-15)19-13-6-3-7-14-19/h2,4-5,9-10H,3,6-8,11-14H2,1H3","""AuxInfo=1/0/N:1,10,16,9,11,15,17,4,8,12,5,3,14,18,7,19,6,2,13,20/E:(4,5)(6,7)(9,10)(13,14)/rA:20CNCCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s13;s14;s15;s16;s13s17;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-GEPLQYDNQXEEGS_on_P31644_WT,High,ChEMBL30,CHEMBL3681462,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2cccnc2)no1,GEPLQYDNQXEEGS,GEPLQYDNQXEEGS-UHFFFAOYSA-N,"InChI=1S/C19H18N4O3/c1-12-16(18(23-26-12)13-3-2-8-20-9-13)11-25-17-7-4-14(10-21-17)19(24)22-15-5-6-15/h2-4,7-10,15H,5-6,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,20,8,14,15,7,22,24,16,4,2,19,9,13,3,6,18,10,23,17,12,25,11,5,26/E:(5,6)/rA:26CCCCOCCCCCONCCCCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-GFEZVIMLGYOWCZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3956019,CC(C)n1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1,GFEZVIMLGYOWCZ,GFEZVIMLGYOWCZ-UHFFFAOYSA-N,"InChI=1S/C22H24F3N5O2/c1-13(2)30-11-15(9-27-30)17-8-19(21(26)31)28-18-7-14(3-4-16(17)18)10-29-5-6-32-20(12-29)22(23,24)25/h3-4,7-9,11,13,20H,5-6,10,12H2,1-2H3,(H2,26,31)","""AuxInfo=1/1/N:1,3,17,16,21,22,30,8,31,19,5,29,2,18,6,15,7,14,9,24,10,25,26,27,28,11,32,13,20,4,12,23/E:(1,2)(23,24,25)/rA:32CCCNCCCCCCNONCCCCCCNCCOCCFFFCCCN/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;s14d18;s6;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-GFFRNKSYOJSMMI_on_Q13255_WT,High,ChEMBL30,CHEMBL1951675,CCc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)cc1,GFFRNKSYOJSMMI,GFFRNKSYOJSMMI-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2S/c1-3-12-4-6-13(7-5-12)21-11-9-14-16-15(23-2)8-10-20-18(16)24-17(14)19(21)22/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,17,2,4,24,5,23,18,9,19,8,3,6,10,15,14,11,13,21,20,7,22,16,12/E:(4,5)(6,7)/rA:24CCCCCCNCCCCSCCCOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d15;s18;s13d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-GFHBANWBQIPNLT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112214,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OCCF)c(Cl)c3)n2)cc(C)n1,GFHBANWBQIPNLT,GFHBANWBQIPNLT-UHFFFAOYSA-N,"InChI=1S/C23H25ClFN3O2/c1-14-10-18(11-15(2)26-14)22-20-6-8-29-16(3)13-28(20)23(27-22)17-4-5-21(19(24)12-17)30-9-7-25/h4-5,10-12,16H,6-9,13H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,21,8,20,3,27,25,12,2,28,10,15,4,23,6,18,5,14,24,22,30,26,13,9,19/E:(1,2)(10,11)(14,15)/rA:30CCCCCCCCOCCCNCCCCCOCCFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-GFHXCYICQJUPOX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290607,OC1CN(C2CCC3(CC2)OCCO3)CCc2c1ccc(OCc1ccccc1)c2,GFHXCYICQJUPOX,GFHXCYICQJUPOX-UHFFFAOYSA-N,"InChI=1S/C25H31NO4/c27-24-17-26(21-8-11-25(12-9-21)29-14-15-30-25)13-10-20-16-22(6-7-23(20)24)28-18-19-4-2-1-3-5-19/h1-7,16,21,24,27H,8-15,17-18H2","""AuxInfo=1/0/N:27,26,28,25,29,20,19,6,10,16,7,9,15,12,13,30,3,23,24,17,5,21,18,2,8,4,1,22,11,14/E:(2,3)(4,5)(8,9)(11,12)(14,15)(29,30)/rA:30OCCNCCCCCCOCCOCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s11;s12;s8s13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-GFHXCYICQJUPOX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290607,OC1CN(C2CCC3(CC2)OCCO3)CCc2c1ccc(OCc1ccccc1)c2,GFHXCYICQJUPOX,GFHXCYICQJUPOX-UHFFFAOYSA-N,"InChI=1S/C25H31NO4/c27-24-17-26(21-8-11-25(12-9-21)29-14-15-30-25)13-10-20-16-22(6-7-23(20)24)28-18-19-4-2-1-3-5-19/h1-7,16,21,24,27H,8-15,17-18H2","""AuxInfo=1/0/N:27,26,28,25,29,20,19,6,10,16,7,9,15,12,13,30,3,23,24,17,5,21,18,2,8,4,1,22,11,14/E:(2,3)(4,5)(8,9)(11,12)(14,15)(29,30)/rA:30OCCNCCCCCCOCCOCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s11;s12;s8s13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-GFJMSLRUMDAFSY_on_P14867_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GFJMSLRUMDAFSY_on_P18507_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960;  6.680;  6.890;  7.000,7.132999999999999,0.491,0.284,4.0,6.945,0.16
-GFJMSLRUMDAFSY_on_P28472_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.680;  7.000;  7.960;  6.890,7.132000000000001,0.491,0.284,4.0,6.945,0.16
-GFJMSLRUMDAFSY_on_P31644_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-GFJMSLRUMDAFSY_on_P34903_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-GFJMSLRUMDAFSY_on_P47869_WT,Low,ChEMBL30,CHEMBL361561,Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,GFJMSLRUMDAFSY,GFJMSLRUMDAFSY-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-11-17(29-26-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNSCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-GFLFKGVFLRGCNV_on_P41594_WT,High,ChEMBL30,CHEMBL3734885,CC1(n2nnc3c2CCC(c2nc(-c4ccc(F)cc4)no2)C3)CCOCC1,GFLFKGVFLRGCNV,GFLFKGVFLRGCNV-UHFFFAOYSA-N,"InChI=1S/C20H22FN5O2/c1-20(8-10-27-11-9-20)26-17-7-4-14(12-16(17)23-25-26)19-22-18(24-28-19)13-2-5-15(21)6-3-13/h2-3,5-6,14H,4,7-12H2,1H3","""AuxInfo=1/0/N:1,15,20,9,16,19,8,24,28,25,27,23,14,10,17,6,7,13,11,2,18,12,5,21,4,3,26,22/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCNNNCCCCCCNCCCCCFCCNOCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s11s21;s6s10;s2;s24;s25;s26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GFLVJKBEKVGJTQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104140,C=C(c1ccccc1)c1ccc(N(Cc2cnccc2)S(=O)(=O)CC)cc1,GFLVJKBEKVGJTQ,GFLVJKBEKVGJTQ-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2S/c1-3-27(25,26)24(17-19-8-7-15-23-16-19)22-13-11-21(12-14-22)18(2)20-9-5-4-6-10-20/h4-16H,2-3,17H2,1H3","""AuxInfo=1/0/N:25,1,24,6,5,7,19,20,4,8,10,27,11,26,18,16,14,2,15,3,9,12,17,13,22,23,21/E:(5,6)(9,10)(11,12)(13,14)(25,26)/CRV:27.6/rA:27CCCCCCCCCCCCNCCCNCCCSOOCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;d21;d21;s21;s24;s12;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-GFNAVKBTBBEYIJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983396,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC4(CC4)C2)c3)cn1,GFNAVKBTBBEYIJ,GFNAVKBTBBEYIJ-UHFFFAOYSA-N,"InChI=1S/C22H25N5O/c1-26-13-16(11-24-26)18-10-20(21(23)28)25-19-9-15(3-4-17(18)19)12-27-8-2-5-22(14-27)6-7-22/h3-4,9-11,13H,2,5-8,12,14H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,20,15,14,21,23,24,19,26,6,27,17,3,25,16,4,13,5,12,7,8,22,9,28,11,2,18,10/E:(6,7)/rA:28CNCCCCCCNONCCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s22s23;s18s22;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GFNPOQIZCADBHS_on_Q14416_WT,High,ChEMBL30,CHEMBL1669400,CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)c2)c1=O,GFNPOQIZCADBHS,GFNPOQIZCADBHS-UHFFFAOYSA-N,"InChI=1S/C25H20ClF3N2O2/c1-2-10-31-11-9-18-12-19(13-21(26)23(18)24(31)32)17-4-6-20(7-5-17)33-15-16-3-8-22(30-14-16)25(27,28)29/h3-9,11-14H,2,10,15H2,1H3","""AuxInfo=1/0/N:1,2,20,14,30,15,29,21,6,3,5,31,11,28,18,19,13,7,12,16,9,22,8,32,23,10,24,25,26,27,4,33,17/E:(4,5)(6,7)(27,28,29)/rA:33CCCNCCCCCClCCCCCCOCCCCCCFFFNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s23;s23;s23;s22;s19d27;s16;s13d29;s7d12;s4s8;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GFOXRHHIZPAJAL_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029819;70696264,CCCCn1ccc(-c2cc(Cl)c(Oc3c(C)nc(C)cc3)cc2)c(C#N)c1=O,GFOXRHHIZPAJAL,GFOXRHHIZPAJAL-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2/c1-4-5-11-27-12-10-18(19(14-25)23(27)28)17-7-9-22(20(24)13-17)29-21-8-6-15(2)26-16(21)3/h6-10,12-13H,4-5,11H2,1-3H3","""AuxInfo=1/0/N:1,20,17,2,3,21,24,22,23,7,4,6,10,26,19,16,9,8,25,11,15,13,28,12,27,18,5,29,14/rA:29CCCCNCCCCCCClCOCCCNCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s13;s9d23;d8;s25;t26;s5s25;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  7.520;  7.523,7.521,0.002,0.002,2.0,7.521,0.002
-GFOYQQKZYBBZIV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930893,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCSC(C4CC4)C2)c3)cn1,GFOYQQKZYBBZIV,GFOYQQKZYBBZIV-UHFFFAOYSA-N,"InChI=1S/C22H25N5OS/c1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-29-21(13-27)15-3-4-15/h2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,24,25,14,19,20,27,6,28,17,3,26,16,23,4,13,5,12,7,22,8,9,29,11,2,18,10,21/E:(3,4)/rA:29CNCCCCCCNONCCCCCCNCCSCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s23s24;s18s22;s12d16;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-GFPFHIJEQOBAKN_on_P41594_WT,High,ChEMBL30,CHEMBL257222,Cc1cn2cc(C(=O)N3CCCCC3C)cc2c(C#Cc2cscc2)n1,GFPFHIJEQOBAKN,GFPFHIJEQOBAKN-UHFFFAOYSA-N,"InChI=1S/C21H21N3OS/c1-15-12-23-13-18(21(25)24-9-4-3-5-16(24)2)11-20(23)19(22-15)7-6-17-8-10-26-14-17/h8,10-14,16H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,15,12,11,13,20,19,25,10,24,16,3,5,22,2,14,21,6,18,17,7,26,4,9,8,23/rA:26CCCNCCCONCCCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-GFQMHVYMEKXHDT_on_P14867_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068;CHEMBL864002;CHEMBL863772;CHEMBL869459,PMID:16384707,2006.0,PMID:16480260;PMID:16392789;PMID:16386900;PMID:16384707,2006,0,0,0,1,0,,=,  9.070;  9.070;  9.070;  8.850,9.015,0.095,0.055,4.0,9.07,0.0
-GFQMHVYMEKXHDT_on_P18507_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004;CHEMBL863772;CHEMBL853068;CHEMBL863774;CHEMBL863773;CHEMBL862572;CHEMBL864003;CHEMBL869460;CHEMBL869461;CHEMBL869459;CHEMBL864002;CHEMBL853070;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789;PMID:16386900;PMID:16480260;PMID:16386900;PMID:16386900;PMID:16386900;PMID:16392789;PMID:16384707;PMID:16384707;PMID:16384707;PMID:16392789;PMID:16480260;PMID:16392789,2006,0,0,0,1,0,,=,  8.400;  9.070;  9.070;  8.400;  8.430;  9.280;  8.430;  8.400;  9.280;  8.850;  9.070;  8.400;  9.280,8.797,0.375,0.10800000000000001,13.0,8.85,0.43
-GFQMHVYMEKXHDT_on_P28472_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863774;CHEMBL869459;CHEMBL863772;CHEMBL864005;CHEMBL864003;CHEMBL862572;CHEMBL853068;CHEMBL864002;CHEMBL864004;CHEMBL869460;CHEMBL853070;CHEMBL863773;CHEMBL869461,PMID:16392789,2006.0,PMID:16386900;PMID:16384707;PMID:16386900;PMID:16392789;PMID:16392789;PMID:16386900;PMID:16480260;PMID:16392789;PMID:16392789;PMID:16384707;PMID:16480260;PMID:16386900;PMID:16384707,2006,0,0,0,1,0,,=,  8.400;  8.850;  9.070;  9.280;  8.430;  9.280;  9.070;  9.070;  8.400;  8.400;  8.400;  8.430;  9.280,8.797,0.375,0.10800000000000001,13.0,8.85,0.43
-GFQMHVYMEKXHDT_on_P31644_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461;CHEMBL864005;CHEMBL862572,PMID:16384707,2006.0,PMID:16384707;PMID:16392789;PMID:16386900,2006,0,0,0,1,0,,=,  9.280;  9.280;  9.280,9.28,0.0,0.0,3.0,9.28,0.0
-GFQMHVYMEKXHDT_on_P34903_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460;CHEMBL864004;CHEMBL863774,PMID:16384707,2006.0,PMID:16384707;PMID:16392789;PMID:16386900,2006,0,0,0,1,0,,=,  8.400;  8.400;  8.400,8.4,0.0,0.0,3.0,8.4,0.0
-GFQMHVYMEKXHDT_on_P47869_WT,Low,ChEMBL30,CHEMBL201472,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1,GFQMHVYMEKXHDT,GFQMHVYMEKXHDT-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,26,17,25,12,19,9,11,14,13,20,10,5,7,2,21,18,8,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070;CHEMBL864003;CHEMBL863773,PMID:16386900,2006.0,PMID:16480260;PMID:16392789;PMID:16386900,2006,0,0,0,1,0,,=,  8.400;  8.430;  8.430,8.42,0.013999999999999999,0.01,3.0,8.43,0.0
-GFRITIGCXFXWSY_on_P41594_WT,Low,ChEMBL30,CHEMBL224898,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2Cl)c1=O,GFRITIGCXFXWSY,GFRITIGCXFXWSY-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,9,8,21,14,19,22,16,4,5,12,11,6,24,20,23,7,13,2,15,25,10/E:(1,2)/rA:25CNCCCCNCCSCCNCNCCCCClCCClCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GFRITIGCXFXWSY_on_Q13255_WT,High,ChEMBL30,CHEMBL224898,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2Cl)c1=O,GFRITIGCXFXWSY,GFRITIGCXFXWSY-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,9,8,21,14,19,22,16,4,5,12,11,6,24,20,23,7,13,2,15,25,10/E:(1,2)/rA:25CNCCCCNCCSCCNCNCCCCClCCClCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-GFSPITZTVJNUPB_on_P41594_WT,Medium,ChEMBL30,CHEMBL415083,Cc1nc(C#Cc2c(Cl)cccc2)ccc1,GFSPITZTVJNUPB,GFSPITZTVJNUPB-UHFFFAOYSA-N,"InChI=1S/C14H10ClN/c1-11-5-4-7-13(16-11)10-9-12-6-2-3-8-14(12)15/h2-8H,1H3","""AuxInfo=1/0/N:1,12,11,15,16,13,14,10,6,5,2,7,4,8,9,3/rA:16CCNCCCCCClCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s8;d10;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  7.820;  8.300,8.06,0.24,0.24,2.0,8.06,0.24
-GFTZCCLPKHGIAB_on_P18507_WT,Low,ChEMBL30,CHEMBL1079870,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,GFTZCCLPKHGIAB,GFTZCCLPKHGIAB-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GFTZCCLPKHGIAB_on_P28472_WT,Low,ChEMBL30,CHEMBL1079870,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,GFTZCCLPKHGIAB,GFTZCCLPKHGIAB-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GFTZCCLPKHGIAB_on_P31644_WT,Low,ChEMBL30,CHEMBL1079870,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,GFTZCCLPKHGIAB,GFTZCCLPKHGIAB-UHFFFAOYSA-N,"InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GFUKOUBPFRBDFQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3977654,Fc1ncc(Cl)cc1Nc1c2ncccc2n[nH]1,GFUKOUBPFRBDFQ,GFUKOUBPFRBDFQ-UHFFFAOYSA-N,"InChI=1S/C11H7ClFN5/c12-6-4-8(10(13)15-5-6)16-11-9-7(17-18-11)2-1-3-14-9/h1-5H,(H2,16,17,18)","""AuxInfo=1/1/N:14,15,13,7,4,5,16,8,11,2,10,6,1,12,3,9,17,18/rA:18FCNCCClCCNCCNCCCCNN/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-GFVXNSFVDJXXOU_on_O15399_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_O60391_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_Q05586_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_Q12879_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_Q13224_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFVXNSFVDJXXOU_on_Q14957_WT,Low,ChEMBL30,CHEMBL289167,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1,GFVXNSFVDJXXOU,GFVXNSFVDJXXOU-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-7-3-8-10(14-4-7)11(16)9(12(17)15-8)6-1-2-18-5-6/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:18,17,10,7,15,14,8,4,13,5,11,2,9,6,3,12,1,16/rA:18OCNCCNCCClCCOCCCSCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-GFWOLRVSRBSWGJ_on_Q14416_WT,High,ChEMBL30,CHEMBL2029801,CNc1ccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1,GFWOLRVSRBSWGJ,GFWOLRVSRBSWGJ-UHFFFAOYSA-N,"InChI=1S/C18H21N3O/c1-13(2)8-10-21-11-9-16(17(12-19)18(21)22)14-4-6-15(20-3)7-5-14/h4-7,9,11,13,20H,8,10H2,1-3H3","""AuxInfo=1/0/N:17,18,1,5,21,4,22,15,20,14,19,9,16,6,3,7,8,11,10,2,13,12/E:(1,2)(4,5)(6,7)/rA:22CNCCCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;t9;s8;d11;s11;s13;s14;s15;s16;s16;s13;s7d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-GFWSBYBQNHQKCS_on_P41594_WT,High,ChEMBL30,CHEMBL461673,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1,GFWSBYBQNHQKCS,GFWSBYBQNHQKCS-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)15-12-23(21-20-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,20,18,21,10,24,9,25,13,11,16,12,15,6,2,17,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCCFCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GFWSBYBQNHQKCS_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,44588385;CHEMBL461673,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1,GFWSBYBQNHQKCS,GFWSBYBQNHQKCS-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)15-12-23(21-20-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,17,19,16,10,24,9,25,13,11,20,12,15,6,2,21,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCCCCCCFNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:389921;CHEMBL1032406,PMID:18849168,2008.0,PubChemAID:389921;PMID:18849168,2010;2008,0;1,0,0,0,1;0,,=,  8.201;  8.200,8.2,0.001,0.001,2.0,8.2,0.001
-GFXHHBYJHQAIHD_on_O15399_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_O60391_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GFXHHBYJHQAIHD_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365744,N=C(N)NN=Cc1ccc(F)cc1,GFXHHBYJHQAIHD,GFXHHBYJHQAIHD-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCFCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-GGBJXKSYGDULJX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962836,CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)O1,GGBJXKSYGDULJX,GGBJXKSYGDULJX-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2/c1-19(2)10-11-22(18(23)24-19)17-9-8-15(13-21-17)7-6-14-4-3-5-16(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,9,8,4,5,19,20,13,10,17,7,22,2,18,21,6,23,24/E:(1,2)/rA:24CCCCCNCCCCCCCCCCCClCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-GGCCHWPSILXJPI_on_P41594_WT,High,ChEMBL30,CHEMBL2151627,CC1CN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC(C)O1,GGCCHWPSILXJPI,GGCCHWPSILXJPI-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O3/c1-11-7-22(8-12(2)25-11)18(24)23-9-14(10-23)17-20-16(21-26-17)13-4-3-5-15(19)6-13/h3-6,11-12,14H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,25,15,14,16,19,3,23,8,22,2,24,13,9,17,12,10,5,18,11,20,4,7,6,26,21/E:(1,2)(7,8)(9,10)(11,12)/rA:26CCCNCONCCCNCCCCCCClCNOCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s10s20;s7s9;s4;s23;s24;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GGFLPDBSANBACY_on_P41594_WT,High,ChEMBL30,CHEMBL3660266,O=C(Nc1nc(F)ccc1)c1cc(Oc2cncnc2)ccn1,GGFLPDBSANBACY,GGFLPDBSANBACY-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)","""AuxInfo=1/1/N:9,8,10,21,22,12,16,20,18,13,15,11,6,4,2,7,17,19,23,5,3,1,14/E:(7,8)(17,18)/rA:23OCNCNCFCCCCCCOCCNCNCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-GGIKEFUVMYRUDZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3913929,Cc1cc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nc2)ccc1,GGIKEFUVMYRUDZ,GGIKEFUVMYRUDZ-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-15-6-5-7-16(12-15)8-9-17-10-11-18(21-13-17)23-14-20(2,3)22(4)19(23)24/h5-7,10-13H,14H2,1-4H3","""AuxInfo=1/0/N:1,14,15,17,23,24,22,5,6,8,9,3,21,12,2,4,7,10,18,13,20,16,11,19/E:(2,3)/rA:24CCCCCCCCCCNCCCCNCCONCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s13;s13;s16;s11s16;d18;s10;s7d20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-GGMAQUBHQFYNCX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257645,CCNCc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,GGMAQUBHQFYNCX,GGMAQUBHQFYNCX-UHFFFAOYSA-N,"InChI=1S/C19H24F3N5O2S/c1-2-24-9-11-10-27(26-16(11)19(20,21)22)8-7-14(28)25-18-15(17(23)29)12-5-3-4-6-13(12)30-18/h10,24H,2-9H2,1H3,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:1,2,22,21,23,20,9,8,4,6,5,18,19,10,14,26,15,13,27,28,29,30,16,3,12,25,7,11,17,24/E:(20,21,22)/rA:30CCNCCCNCCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s14;d18;s19;s20;s21;s18s22;s13s19;s7;s5d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-GGNBFWLUDYXDDW_on_P41594_WT,High,ChEMBL30,CHEMBL4095476,Cc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(N3CCC(C)CC3)c2c1,GGNBFWLUDYXDDW,GGNBFWLUDYXDDW-UHFFFAOYSA-N,"InChI=1S/C22H23FN2O2S/c1-15-8-10-25(11-9-15)22-19-12-16(2)6-7-20(19)24-14-21(22)28(26,27)18-5-3-4-17(23)13-18/h3-7,12-15H,8-11H2,1-2H3","""AuxInfo=1/0/N:24,1,14,15,13,3,4,22,25,21,26,28,18,7,23,2,16,12,27,5,8,19,17,6,20,10,11,9/E:(8,9)(10,11)(26,27)/CRV:28.6/rA:28CCCCCNCCSOOCCCCCFCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s16;s12d16;d8;s19;s20;s21;s22;s23;s23;s20s25;s5s19;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-GGNYKJMGSYDKDV_on_P18505_WT,Low,ChEMBL30,CHEMBL4245403,CC(C)CC(=O)C(F)(F)C(NC(=O)OC(C)(C)C)c1ccccc1,GGNYKJMGSYDKDV,GGNYKJMGSYDKDV-UHFFFAOYSA-N,"InChI=1S/C18H25F2NO3/c1-12(2)11-14(22)18(19,20)15(13-9-7-6-8-10-13)21-16(23)24-17(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,23)","""AuxInfo=1/1/N:1,3,16,17,18,22,21,23,20,24,4,2,19,5,10,12,15,7,8,9,11,6,13,14/E:(1,2)(3,4,5)(7,8)(9,10)(19,20)/rA:24CCCCCOCFFCNCOOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s7;s7;s10;s11;d12;s12;s14;s15;s15;s15;s10;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GGNYKJMGSYDKDV_on_P47870_WT,Low,ChEMBL30,CHEMBL4245403,CC(C)CC(=O)C(F)(F)C(NC(=O)OC(C)(C)C)c1ccccc1,GGNYKJMGSYDKDV,GGNYKJMGSYDKDV-UHFFFAOYSA-N,"InChI=1S/C18H25F2NO3/c1-12(2)11-14(22)18(19,20)15(13-9-7-6-8-10-13)21-16(23)24-17(3,4)5/h6-10,12,15H,11H2,1-5H3,(H,21,23)","""AuxInfo=1/1/N:1,3,16,17,18,22,21,23,20,24,4,2,19,5,10,12,15,7,8,9,11,6,13,14/E:(1,2)(3,4,5)(7,8)(9,10)(19,20)/rA:24CCCCCOCFFCNCOOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s7;s7;s10;s11;d12;s12;s14;s15;s15;s15;s10;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-GGPNXSLARTXWPV_on_P41594_WT,High,ChEMBL30,CHEMBL4103236,CC1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,GGPNXSLARTXWPV,GGPNXSLARTXWPV-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2FN2O2S/c1-13-6-8-26(9-7-13)21-16-10-14(24)2-5-19(16)25-12-20(21)29(27,28)15-3-4-17(22)18(23)11-15/h2-5,10-13H,6-9H2,1H3","""AuxInfo=1/0/N:1,11,21,22,12,3,29,4,28,8,27,15,2,9,20,7,23,25,13,16,6,24,26,10,14,5,18,19,17/E:(6,7)(8,9)(27,28)/CRV:29.6/rA:29CCCCNCCCCFCCCNCCSOOCCCCClCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;d11;s7s12;d13;s14;s6d15;s16;d17;d17;s17;d20;s21;d22;s23;s23;s25;s20d25;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-GGUSQTSTQSHJAH_on_Q05586_WT,Low,ChEMBL30,CHEMBL28564,OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1,GGUSQTSTQSHJAH,GGUSQTSTQSHJAH-UHFFFAOYSA-N,"InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2","""AuxInfo=1/0/N:10,15,19,24,20,23,11,14,6,16,5,17,8,3,9,7,18,21,12,2,22,13,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24OCCNCCCCCCCCFCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;s4s16;s2;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-GGUSQTSTQSHJAH_on_Q13224_WT,High,ChEMBL30,CHEMBL28564,OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1,GGUSQTSTQSHJAH,GGUSQTSTQSHJAH-UHFFFAOYSA-N,"InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2","""AuxInfo=1/0/N:10,15,19,24,20,23,11,14,6,16,5,17,8,3,9,7,18,21,12,2,22,13,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24OCCNCCCCCCCCFCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;s4s16;s2;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4610803,PMID:20965739,2010.0,PMID:31843460,2020,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-GGUVCADUSFVHLK_on_O00222_WT,High,ChEMBL30,CHEMBL4079075,NC(CCP(=O)(O)C(O)c1ccc(O)c(C(=O)O)c1)C(=O)O,GGUVCADUSFVHLK,GGUVCADUSFVHLK-UHFFFAOYSA-N,"InChI=1S/C12H16NO8P/c13-8(11(17)18)3-4-22(20,21)12(19)6-1-2-9(14)7(5-6)10(15)16/h1-2,5,8,12,14,19H,3-4,13H2,(H,15,16)(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,15,2,13,16,20,8,1,14,17,18,21,22,9,6,7,5/E:(15,16)(17,18)(20,21)/rA:22NCCCPOOCOCCCCOCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-GGUVCADUSFVHLK_on_Q14833_WT,High,ChEMBL30,CHEMBL4079075,NC(CCP(=O)(O)C(O)c1ccc(O)c(C(=O)O)c1)C(=O)O,GGUVCADUSFVHLK,GGUVCADUSFVHLK-UHFFFAOYSA-N,"InChI=1S/C12H16NO8P/c13-8(11(17)18)3-4-22(20,21)12(19)6-1-2-9(14)7(5-6)10(15)16/h1-2,5,8,12,14,19H,3-4,13H2,(H,15,16)(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,15,2,13,16,20,8,1,14,17,18,21,22,9,6,7,5/E:(15,16)(17,18)(20,21)/rA:22NCCCPOOCOCCCCOCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-GGXSBLZHGCKJOF_on_O00222_WT,High,ExCAPE-DB,73058514,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(OC(C)=O)cc3)c2C)cc1,GGXSBLZHGCKJOF,GGXSBLZHGCKJOF-UHFFFAOYSA-N,"InChI=1S/C24H23NO6/c1-15-13-22(16(2)25(15)19-7-5-18(6-8-19)24(28)29-4)23(27)14-30-20-9-11-21(12-10-20)31-17(3)26/h5-13H,14H2,1-4H3","""AuxInfo=1/0/N:11,29,24,1,6,31,7,30,19,27,20,26,12,16,10,28,23,5,8,18,21,13,14,3,9,25,15,4,2,17,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCOCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GGXSBLZHGCKJOF_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560922,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(OC(C)=O)cc3)c2C)cc1,GGXSBLZHGCKJOF,GGXSBLZHGCKJOF-UHFFFAOYSA-N,"InChI=1S/C24H23NO6/c1-15-13-22(16(2)25(15)19-7-5-18(6-8-19)24(28)29-4)23(27)14-30-20-9-11-21(12-10-20)31-17(3)26/h5-13H,14H2,1-4H3","""AuxInfo=1/0/N:11,29,24,1,6,31,7,30,19,27,20,26,12,16,10,28,23,5,8,18,21,13,14,3,9,25,15,4,2,17,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCOCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GGXSBLZHGCKJOF_on_Q14833_WT,High,ExCAPE-DB,73058514,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(OC(C)=O)cc3)c2C)cc1,GGXSBLZHGCKJOF,GGXSBLZHGCKJOF-UHFFFAOYSA-N,"InChI=1S/C24H23NO6/c1-15-13-22(16(2)25(15)19-7-5-18(6-8-19)24(28)29-4)23(27)14-30-20-9-11-21(12-10-20)31-17(3)26/h5-13H,14H2,1-4H3","""AuxInfo=1/0/N:11,29,24,1,6,31,7,30,19,27,20,26,12,16,10,28,23,5,8,18,21,13,14,3,9,25,15,4,2,17,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCOCCCCNCCCCCOCOCCCCOCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;d23;s21;s18d26;s9d13;s28;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHBKYODAIPLIOA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108162,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)c1,GHBKYODAIPLIOA,GHBKYODAIPLIOA-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O/c1-12-7-15(8-16(10-23)25-12)20-19-5-6-28-13(2)11-27(19)21(26-20)14-3-4-17(22)18(24)9-14/h3-4,7-9,13H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,15,20,21,11,12,28,7,26,5,16,2,14,19,8,4,22,24,10,9,18,23,6,25,3,27,17,13/rA:28CCNCCFCCCCCCOCCCNCCCCCClCFCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-GHCVXKMOSYUWTO_on_Q14833_WT,Low,ChEMBL30,CHEMBL1922759,O=C(COc1ccccc1-c1ccccc1)c1ccc(Cl)nc1,GHCVXKMOSYUWTO,GHCVXKMOSYUWTO-UHFFFAOYSA-N,"InChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2","""AuxInfo=1/0/N:14,13,15,8,7,12,16,9,6,18,19,23,3,11,17,10,2,5,20,21,22,1,4/E:(2,3)(6,7)/rA:23OCCOCCCCCCCCCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHFKCQCHIJKCHS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3979547,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1,GHFKCQCHIJKCHS,GHFKCQCHIJKCHS-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c24-18-8-6-17(7-9-18)20-13-22(23(25)28)27-21-12-15(5-10-19(20)21)3-4-16-2-1-11-26-14-16/h1-2,5-14H,3-4H2,(H2,25,28)","""AuxInfo=1/1/N:22,21,18,19,16,8,13,9,12,15,23,26,5,25,17,20,7,10,14,6,27,4,2,11,1,24,28,3/E:(6,7)(8,9)/rA:28NCOCCCCCCCFCCCCCCCCCCCCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GHGMWMJKRGZKMW_on_O00222_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1027702,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHGMWMJKRGZKMW_on_Q13255_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1027697,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHGMWMJKRGZKMW_on_Q14416_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1027698,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHGMWMJKRGZKMW_on_Q14831_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1027701,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHGMWMJKRGZKMW_on_Q14832_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1027699,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHGMWMJKRGZKMW_on_Q14833_WT,Low,ChEMBL30,CHEMBL496882,Cc1cc(C#Cc2ncccn2)ccc1,GHGMWMJKRGZKMW,GHGMWMJKRGZKMW-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,14,10,15,13,5,6,9,11,3,2,4,7,8,12/E:(8,9)(14,15)/rA:15CCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1027700,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHMSPLAJMQBJKD_on_P14867_WT,Low,ChEMBL30,CHEMBL331192;CHEMBL116662,COc1c(OC(=O)C(C)N2CCc3c(cccc3)C2)c(OC)ccc1,GHMSPLAJMQBJKD,GHMSPLAJMQBJKD-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3","""AuxInfo=1/0/N:9,1,22,17,16,24,18,15,25,23,12,11,19,8,13,14,3,20,4,6,10,7,2,21,5/E:(2,3)(9,10)(17,18)(23,24)/rA:25COCCOCOCCNCCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s4;s20;s21;d20;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.390;  5.260,5.325,0.065,0.065,2.0,5.325,0.065
-GHMSPLAJMQBJKD_on_P18507_WT,Low,ChEMBL30,CHEMBL116662;CHEMBL331192,COc1c(OC(=O)C(C)N2CCc3c(cccc3)C2)c(OC)ccc1,GHMSPLAJMQBJKD,GHMSPLAJMQBJKD-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3","""AuxInfo=1/0/N:9,1,22,17,16,24,18,15,25,23,12,11,19,8,13,14,3,20,4,6,10,7,2,21,5/E:(2,3)(9,10)(17,18)(23,24)/rA:25COCCOCOCCNCCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s4;s20;s21;d20;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.260;  5.390,5.325,0.065,0.065,2.0,5.325,0.065
-GHMSPLAJMQBJKD_on_P28472_WT,Low,ChEMBL30,CHEMBL116662;CHEMBL331192,COc1c(OC(=O)C(C)N2CCc3c(cccc3)C2)c(OC)ccc1,GHMSPLAJMQBJKD,GHMSPLAJMQBJKD-UHFFFAOYSA-N,"InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3","""AuxInfo=1/0/N:9,1,22,17,16,24,18,15,25,23,12,11,19,8,13,14,3,20,4,6,10,7,2,21,5/E:(2,3)(9,10)(17,18)(23,24)/rA:25COCCOCOCCNCCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s4;s20;s21;d20;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.260;  5.390,5.325,0.065,0.065,2.0,5.325,0.065
-GHNMHKMPMMEWPQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3985060,O=C1N(c2ccc(C#Cc3cc(F)ccc3)cn2)CC2CCCCN12,GHNMHKMPMMEWPQ,GHNMHKMPMMEWPQ-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O/c21-17-5-3-4-15(12-17)7-8-16-9-10-19(22-13-16)24-14-18-6-1-2-11-23(18)20(24)25/h3-5,9-10,12-13,18H,1-2,6,11,14H2","""AuxInfo=1/0/N:22,23,15,16,14,21,9,8,6,5,24,11,17,19,10,7,12,20,4,2,13,18,25,3,1/rA:25OCNCCCCCCCCCFCCCCNCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;t8;s9;d10;s11;s12;d12;s14;s10d15;s7;s4d17;s3;s19;s20;s21;s22;s23;s2s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GHOCNERUVFSDFF_on_Q13255_WT,High,ChEMBL30,CHEMBL1784081,C#CC(CC)(CC)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,GHOCNERUVFSDFF,GHOCNERUVFSDFF-UHFFFAOYSA-N,"InChI=1S/C23H22N4OS/c1-5-23(6-2,7-3)26-17-12-13-24-21-18(17)19-20(29-21)22(28)27(14-25-19)16-10-8-15(4)9-11-16/h1,8-14H,6-7H2,2-4H3,(H,24,26)","""AuxInfo=1/1/N:1,5,7,25,2,4,6,23,26,22,27,14,13,19,24,21,9,10,17,16,11,28,3,12,18,8,20,29,15/E:(2,3)(6,7)(8,9)(10,11)/rA:29CCCCCCCNCCCNCCSCCNCNCCCCCCCCO/rB:t1;s2;s3;s4;s3;s6;s3;s8;d9;s10;d11;s12;s9d13;s11;s15;s10d16;s17;d18;s19;s20;d21;s22;d23;s24;s24;s21d26;s16s20;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-GHOFJCOLOLFEEA_on_Q13255_WT,Low,ChEMBL30,CHEMBL1951678,CCn1ccc2c(sc3c2c(OC)ccn3)c1=O,GHOFJCOLOLFEEA,GHOFJCOLOLFEEA-UHFFFAOYSA-N,"InChI=1S/C13H12N2O2S/c1-3-15-7-5-8-10-9(17-2)4-6-14-12(10)18-11(8)13(15)16/h4-7H,3H2,1-2H3","""AuxInfo=1/0/N:1,13,2,14,5,15,4,6,11,10,7,9,17,16,3,18,12,8/rA:18CCNCCCCSCCCOCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s10;s11;s12;d11;s14;s9d15;s3s7;d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GHPJWCBZTHWCLX_on_Q14833_WT,High,ChEMBL30,CHEMBL1921852,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ccco1,GHPJWCBZTHWCLX,GHPJWCBZTHWCLX-UHFFFAOYSA-N,"InChI=1S/C17H12N2O6S2/c20-17(14-4-3-11-25-14)18-12-7-9-13(10-8-12)19-26(21,22)15-5-1-2-6-16(15)27(19,23)24/h1-11H,(H,18,20)","""AuxInfo=1/1/N:15,16,25,24,14,17,5,22,6,21,26,4,7,23,13,12,2,3,8,1,19,20,10,11,27,18,9/E:(1,2)(5,6)(7,8)(9,10)(15,16)(21,22,23,24)(26,27)/CRV:26.6,27.6/rA:27OCNCCCCNSOOCCCCCCSOOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-GHPUZYKAMFPMRE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628105,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c(-c2ccccc2)cco1,GHPUZYKAMFPMRE,GHPUZYKAMFPMRE-UHFFFAOYSA-N,"InChI=1S/C25H15ClN2O4/c26-20-14-16(27-23(29)22-17(12-13-32-22)15-6-2-1-3-7-15)10-11-21(20)28-24(30)18-8-4-5-9-19(18)25(28)31/h1-14H,(H,27,29)","""AuxInfo=1/1/N:27,26,28,14,15,25,29,13,16,5,6,30,31,21,24,4,23,12,11,19,7,22,2,17,9,20,3,8,1,18,10,32/E:(2,3)(4,5)(6,7)(8,9)(18,19)(24,25)(30,31)/rA:32OCNCCCCNCOCCCCCCCOCClCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;d26;s27;s24d28;s23;d30;s22s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-GHRSDAGWCBAULR_on_P41594_WT,High,ChEMBL30,CHEMBL366288,N#Cc1cccc(-c2nn(-c3ncccc3)nn2)c1,GHRSDAGWCBAULR,GHRSDAGWCBAULR-UHFFFAOYSA-N,InChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)13-16-18-19(17-13)12-6-1-2-7-15-12/h1-8H,"""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,3,7,11,8,1,12,18,9,17,10/rA:19NCCCCCCCNNCNCCCCNNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-GHSAXRFIIOGJNX_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL363945;44397878,CCCc1c2ccn(CC(C)(C)C)c2ccc1Oc1cc(-c2n[nH]nn2)ccc1,GHSAXRFIIOGJNX,GHSAXRFIIOGJNX-UHFFFAOYSA-N,"InChI=1S/C23H27N5O/c1-5-7-19-18-12-13-28(15-23(2,3)4)20(18)10-11-21(19)29-17-9-6-8-16(14-17)22-24-26-27-25-22/h6,8-14H,5,7,15H2,1-4H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,11,12,13,2,28,3,27,29,15,16,6,7,20,9,21,19,5,4,14,17,22,10,23,26,24,25,8,18/E:(2,3,4)(24,25)(26,27)/rA:29CCCCCCCNCCCCCCCCCOCCCCNNNNCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;d19;s20;s21;d22;s23;s24;s22d25;d21;s27;s19d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  6.870;  6.873,6.872000000000001,0.002,0.002,2.0,6.872000000000001,0.002
-GHTYFVYMRMQNHH_on_P41594_WT,Low,ChEMBL30,CHEMBL204202,Cc1c(NC(=O)NC2=NC(=O)C3CCCN23)cccc1,GHTYFVYMRMQNHH,GHTYFVYMRMQNHH-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c1-9-5-2-3-6-10(9)15-14(20)17-13-16-12(19)11-7-4-8-18(11)13/h2-3,5-6,11H,4,7-8H2,1H3,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:1,19,18,14,20,17,13,15,2,3,12,10,8,5,4,9,7,16,11,6/rA:20CCCNCONCNCOCCCCNCCCC/rB:s1;d2;s3;s4;d5;s5;s7;w?8;s9;d10;s10;s12;s13;s14;s8s12s15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GHYHCRPMRUPLNK_on_P41594_WT,Low,ChEMBL30,CHEMBL1784055,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(C)cc2)c1=O,GHYHCRPMRUPLNK,GHYHCRPMRUPLNK-UHFFFAOYSA-N,"InChI=1S/C19H17N5OS/c1-11(2)8-20-17-14-15-16(26-18(14)22-9-21-17)19(25)24(10-23-15)13-6-4-12(3)5-7-13/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,22,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,5,11,9,15,17,26,12/E:(4,5)(6,7)/rA:26CCCCNCCCNCNSCCNCNCCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-GHYHCRPMRUPLNK_on_Q13255_WT,High,ChEMBL30,CHEMBL1784055,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(C)cc2)c1=O,GHYHCRPMRUPLNK,GHYHCRPMRUPLNK-UHFFFAOYSA-N,"InChI=1S/C19H17N5OS/c1-11(2)8-20-17-14-15-16(26-18(14)22-9-21-17)19(25)24(10-23-15)13-6-4-12(3)5-7-13/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,22,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,5,11,9,15,17,26,12/E:(4,5)(6,7)/rA:26CCCCNCCCNCNSCCNCNCCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-GHYKQXTYUPPQMF_on_Q14571_WT,Low,ChEMBL30,CHEMBL1161456,O=P(O)(O)OC1CC(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,GHYKQXTYUPPQMF,GHYKQXTYUPPQMF-UHFFFAOYSA-N,"InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,8,6,22,10,16,9,23,1,3,4,13,14,15,19,20,21,5,11,17,2,12,18/E:(9,10,11)(12,13,14)(15,16,17)/rA:23OPOOOCCCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s8;s8;s10;s11;d12;s12;s12;s10;s16;s17;d18;s18;s18;s6s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL697190;CHEMBL699700,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,0;1,0,1;0,0,,=,  3.535;  6.890,5.212999999999999,1.6769999999999998,1.6769999999999998,2.0,5.212999999999999,1.6769999999999998
-GHYKQXTYUPPQMF_on_Q14573_WT,Low,ChEMBL30,CHEMBL1161456,O=P(O)(O)OC1CC(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,GHYKQXTYUPPQMF,GHYKQXTYUPPQMF-UHFFFAOYSA-N,"InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,8,6,22,10,16,9,23,1,3,4,13,14,15,19,20,21,5,11,17,2,12,18/E:(9,10,11)(12,13,14)(15,16,17)/rA:23OPOOOCCCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s8;s8;s10;s11;d12;s12;s12;s10;s16;s17;d18;s18;s18;s6s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697190;CHEMBL699700,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,0;1,0,1;0,0,,=,  3.535;  6.890,5.212999999999999,1.6769999999999998,1.6769999999999998,2.0,5.212999999999999,1.6769999999999998
-GHYKQXTYUPPQMF_on_Q14643_WT,Low,ChEMBL30,CHEMBL1161456,O=P(O)(O)OC1CC(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,GHYKQXTYUPPQMF,GHYKQXTYUPPQMF-UHFFFAOYSA-N,"InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)","""AuxInfo=1/1/N:7,8,6,22,10,16,9,23,1,3,4,13,14,15,19,20,21,5,11,17,2,12,18/E:(9,10,11)(12,13,14)(15,16,17)/rA:23OPOOOCCCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s8;s8;s10;s11;d12;s12;s12;s10;s16;s17;d18;s18;s18;s6s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL697190;CHEMBL699700,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,0;1,0,1;0,0,,=,  3.535;  6.890,5.212999999999999,1.6769999999999998,1.6769999999999998,2.0,5.212999999999999,1.6769999999999998
-GHZJIVQVSFTJGW_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205366,COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(C#N)cc3)ncn4)c2=O)cc1,GHZJIVQVSFTJGW,GHZJIVQVSFTJGW-UHFFFAOYSA-N,"InChI=1S/C22H14N6O2S/c1-30-16-8-6-15(7-9-16)28-12-26-18-17-20(27-14-4-2-13(10-23)3-5-14)24-11-25-21(17)31-19(18)22(28)29/h2-9,11-12H,1H3,(H,24,25,27)","""AuxInfo=1/1/N:1,19,23,18,24,5,30,4,31,21,26,8,20,17,6,3,14,10,11,15,13,28,22,25,27,9,16,7,29,2,12/E:(2,3)(4,5)(6,7)(8,9)/rA:31COCCCCNCNCCSCCCNCCCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;t21;s20;s17d23;d15;s25;s13d26;s7s11;d28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GIASGKXSWXCTBM_on_Q13255_WT,High,ChEMBL30,CHEMBL1951876,CNc1c2c(ncc1)sc1c2ccn(-c2ccc3scnc3c2)c1=O,GIASGKXSWXCTBM,GIASGKXSWXCTBM-UHFFFAOYSA-N,"InChI=1S/C18H12N4OS2/c1-19-12-4-6-20-17-15(12)11-5-7-22(18(23)16(11)25-17)10-2-3-14-13(8-10)21-9-24-14/h2-9H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,16,17,8,12,7,13,23,20,15,11,3,22,18,4,10,5,24,2,6,21,14,25,19,9/rA:25CNCCCNCCSCCCCNCCCCSCNCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;d20;s18s21;s15d22;s10s14;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GIBMGWTWPPGMRU_on_P41594_WT,High,ChEMBL30,CHEMBL2151630,O=C(Cc1ccc(F)cc1)N1CCC1c1nc(-c2cc(F)ccc2)no1,GIBMGWTWPPGMRU,GIBMGWTWPPGMRU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-6-4-12(5-7-14)10-17(25)24-9-8-16(24)19-22-18(23-26-19)13-2-1-3-15(21)11-13/h1-7,11,16H,8-10H2","""AuxInfo=1/0/N:23,24,22,5,10,6,9,13,12,3,19,4,18,7,20,14,2,17,15,8,21,16,25,11,1,26/E:(4,5)(6,7)/rA:26OCCCCCCFCCNCCCCNCCCCFCCCNO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s11s13;s14;d15;s16;s17;d18;s19;s20;d20;s22;s18d23;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GICKMIZEEHGZRO_on_Q14833_WT,High,ChEMBL30,CHEMBL1209515,Cc1c(C)c(C=Cc2ccccc2)nc(N)n1,GICKMIZEEHGZRO,GICKMIZEEHGZRO-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-10-11(2)16-14(15)17-13(10)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,15,16,17)","""AuxInfo=1/1/N:4,1,11,10,12,9,13,7,6,3,2,8,5,15,16,17,14/E:(4,5)(6,7)/rA:17CCCCCCCCCCCCCNCNN/rB:s1;d2;s3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;d5;s14;s15;s2d15;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-GIFNYHYWVPJWTC_on_Q14416_WT,Low,ChEMBL30,CHEMBL1097051,CCCCCCC1CN(c2c(Cl)cccc2)C(=O)O1,GIFNYHYWVPJWTC,GIFNYHYWVPJWTC-UHFFFAOYSA-N,"InChI=1S/C15H20ClNO2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,15,6,13,16,8,7,11,10,17,12,9,18,19/rA:19CCCCCCCCNCCClCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-GIGURPRBQAMLFJ_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155645;CHEMBL1095745,CCCCCCC1CN(c2cccc(C#N)c2)C(=O)O1,GIGURPRBQAMLFJ,GIGURPRBQAMLFJ-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2/c1-2-3-4-5-9-15-12-18(16(19)20-15)14-8-6-7-13(10-14)11-17/h6-8,10,15H,2-5,9,12H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,12,13,11,6,17,15,8,14,10,7,18,16,9,19,20/rA:20CCCCCCCCNCCCCCCNCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.602;  6.600,6.601,0.001,0.001,2.0,6.601,0.001
-GIMODLKOZWMPLJ_on_Q13255_WT,High,ChEMBL30,CHEMBL1951690,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O,GIMODLKOZWMPLJ,GIMODLKOZWMPLJ-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,8,12,7,13,18,15,11,3,4,10,5,22,19,2,6,14,23,9/E:(2,3)(4,5)/rA:23CNCCCNCCSCCCCNCCCCClCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-GIMZYLUSOCWMCA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3922329,CN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)C2CCCCC21,GIMZYLUSOCWMCA,GIMZYLUSOCWMCA-UHFFFAOYSA-N,"InChI=1S/C20H20N4O/c1-23-17-6-2-3-7-18(17)24(20(23)25)19-11-10-16(14-22-19)9-8-15-5-4-12-21-13-15/h4-5,10-14,17-18H,2-3,6-7H2,1H3","""AuxInfo=1/0/N:1,23,22,14,13,24,21,11,10,8,7,15,17,18,12,9,25,20,6,3,16,19,2,5,4/rA:25CNCONCCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s23;s2s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-GINVVVASWQEGAK_on_Q14833_WT,High,ChEMBL30,CHEMBL4238452,CCc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,GINVVVASWQEGAK,GINVVVASWQEGAK-UHFFFAOYSA-N,"InChI=1S/C16H16N6/c1-3-12-11-7-6-10(9-14(11)22(2)21-12)18-16-15-13(19-20-16)5-4-8-17-15/h4-9H,3H2,1-2H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,6,2,17,18,10,9,16,22,11,8,3,19,7,14,13,15,12,20,21,4,5/rA:22CCCNNCCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-GIQPYCYJOSVMCJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3910129,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1,GIQPYCYJOSVMCJ,GIQPYCYJOSVMCJ-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O2/c1-12-9-15(10-13(2)26-12)19-17-5-7-29-8-6-28(17)20(27-19)14-3-4-18(16(22)11-14)30-21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,2,28,14,4,23,6,17,5,13,19,24,20,21,22,30,26,12,9,18/E:(1,2)(9,10)(12,13)(23,24,25)/rA:30CCCCCCCCOCCNCCCCCOCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;s14d23;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-GIRDYWSMAJXGOP_on_P18507_WT,Low,ChEMBL30,CHEMBL1079300,CCCc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,GIRDYWSMAJXGOP,GIRDYWSMAJXGOP-UHFFFAOYSA-N,"InChI=1S/C15H14ClN5/c1-2-3-12-14-7-21-15(17-8-19-21)11-6-10(16)4-5-13(11)20(14)9-18-12/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,3,15,14,18,6,9,20,16,12,4,13,5,11,17,10,21,8,19,7/rA:21CCCCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-GIRDYWSMAJXGOP_on_P28472_WT,Low,ChEMBL30,CHEMBL1079300,CCCc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,GIRDYWSMAJXGOP,GIRDYWSMAJXGOP-UHFFFAOYSA-N,"InChI=1S/C15H14ClN5/c1-2-3-12-14-7-21-15(17-8-19-21)11-6-10(16)4-5-13(11)20(14)9-18-12/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,3,15,14,18,6,9,20,16,12,4,13,5,11,17,10,21,8,19,7/rA:21CCCCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-GIRDYWSMAJXGOP_on_P31644_WT,Low,ChEMBL30,CHEMBL1079300,CCCc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,GIRDYWSMAJXGOP,GIRDYWSMAJXGOP-UHFFFAOYSA-N,"InChI=1S/C15H14ClN5/c1-2-3-12-14-7-21-15(17-8-19-21)11-6-10(16)4-5-13(11)20(14)9-18-12/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,2,3,15,14,18,6,9,20,16,12,4,13,5,11,17,10,21,8,19,7/rA:21CCCCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-GISDKHJQVKNEHJ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,44441272;CHEMBL247114;CHEMBL247114,FC(F)(F)Oc1c(Cl)cc(C2=NC(c3ccccc3C(F)(F)F)CN2)cc1,GISDKHJQVKNEHJ,GISDKHJQVKNEHJ-UHFFFAOYSA-N,"InChI=1S/C17H11ClF6N2O/c18-12-7-9(5-6-14(12)27-17(22,23)24)15-25-8-13(26-15)10-3-1-2-4-11(10)16(19,20)21/h1-7,13H,8H2,(H,25,26)","""AuxInfo=1/1/N:16,17,15,18,26,27,9,24,10,14,19,7,13,6,11,20,2,8,21,22,23,1,3,4,25,12,5/E:(19,20,21)(22,23,24)/rA:27FCFFOCCClCCCNCCCCCCCCFFFCNCC/rB:s1;s2;s2;s2;s5;d6;s7;s7;d9;s10;w?11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s20;s13;s11s24;s10;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:307754;CHEMBL887787;CHEMBL887786,PMID:17498948,2007.0,PubChemAID:307754;PMID:17498948;PMID:17498948,2010;2007;2007,0;1;0,0,0,0;0;1,1;0;0,,=,  6.452;  5.900;  6.450,6.267,0.26,0.184,3.0,6.45,0.002
-GISRGWUSGUAUMX_on_P41594_WT,High,ChEMBL30,CHEMBL3702403,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)ccn1,GISRGWUSGUAUMX,GISRGWUSGUAUMX-UHFFFAOYSA-N,"InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,22,29,13,30,12,4,28,26,8,5,20,19,14,15,6,27,23,3,9,24,31,7,25,11,10,2/rA:31COCCCCNCCONCCCCCCCCCCCCFNCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;d5;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-GISRGWUSGUAUMX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702403,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)ccn1,GISRGWUSGUAUMX,GISRGWUSGUAUMX-UHFFFAOYSA-N,"InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,22,29,13,30,12,4,28,26,8,5,20,19,14,15,6,27,23,3,9,24,31,7,25,11,10,2/rA:31COCCCCNCCONCCCCCCCCCCCCFNCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;d5;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GITCKLOSLAQQFT_on_P41594_WT,High,ChEMBL30,CHEMBL3655649,CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(C#N)c2)c1,GITCKLOSLAQQFT,GITCKLOSLAQQFT-UHFFFAOYSA-N,"InChI=1S/C18H13ClN6O/c1-25(15-9-21-11-22-10-15)14-6-16(19)23-17(7-14)24-18(26)13-4-2-3-12(5-13)8-20/h2-7,9-11H,1H3,(H,23,24,26)","""AuxInfo=1/1/N:1,20,21,19,25,10,26,23,4,8,6,22,18,9,3,11,14,16,12,24,5,7,13,15,2,17/E:(9,10)(21,22)/rA:26CNCCNCNCCCCClNCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d11;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;t23;s18d22;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-GIUPLTIPPKYWPM_on_P18507_WT,Low,ChEMBL30,CHEMBL567019,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,GIUPLTIPPKYWPM,GIUPLTIPPKYWPM-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-GIUPLTIPPKYWPM_on_P28472_WT,Low,ChEMBL30,CHEMBL567019,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,GIUPLTIPPKYWPM,GIUPLTIPPKYWPM-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-GIUPLTIPPKYWPM_on_P31644_WT,Low,ChEMBL30,CHEMBL567019,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,GIUPLTIPPKYWPM,GIUPLTIPPKYWPM-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-GIVWVVGSYXBADO_on_P41594_WT,High,ExCAPE-DB,21433281,COc1cc(NC(=O)Nc2nc(O)cn2C)ccc1,GIVWVVGSYXBADO,GIVWVVGSYXBADO-UHFFFAOYSA-N,"InChI=1S/C12H14N4O3/c1-16-7-10(17)14-11(16)15-12(18)13-8-4-3-5-9(6-8)19-2/h3-7,17H,1-2H3,(H2,13,14,15,18)","""AuxInfo=1/1/N:16,1,18,17,19,4,14,5,3,12,10,7,6,11,9,15,13,8,2/rA:19COCCCNCONCNCOCNCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;d10;s11;s12;d12;s10s14;s15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:261160,PubChemAID:261160,2010.0,PubChemAID:261160,2010,0,0,0,0,1,,=,  5.553,5.553,0.0,0.0,1.0,5.553,0.0
-GIWBACLLMIJHCB_on_P14867_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-GIWBACLLMIJHCB_on_P18507_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-GIWBACLLMIJHCB_on_P28472_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-GIWBACLLMIJHCB_on_P31644_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-GIWBACLLMIJHCB_on_P34903_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-GIWBACLLMIJHCB_on_P47869_WT,Low,ChEMBL30,CHEMBL95268,CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1,GIWBACLLMIJHCB,GIWBACLLMIJHCB-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,18,8,19,20,15,12,11,13,6,4,5,14,7,3/rA:20CCSCCCOCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s5s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-GJGYQBVUXZXJSO_on_P18507_WT,Low,ChEMBL30,CHEMBL2170373,CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1,GJGYQBVUXZXJSO,GJGYQBVUXZXJSO-UHFFFAOYSA-N,"InChI=1S/C20H15F2N3O2/c1-2-27-20(26)19-17-10-23-18(12-3-5-13(21)6-4-12)15-9-14(22)7-8-16(15)25(17)11-24-19/h3-9,11H,2,10H2,1H3","""AuxInfo=1/0/N:1,2,12,17,13,16,21,20,24,8,26,11,14,22,18,19,7,10,6,4,15,23,9,27,25,5,3/E:(3,4)(5,6)/rA:27CCOCOCCCNCCCCCFCCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2173575;CHEMBL2173576,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  7.220;  6.110,6.665,0.555,0.555,2.0,6.665,0.555
-GJGYQBVUXZXJSO_on_P28472_WT,Low,ChEMBL30,CHEMBL2170373,CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1,GJGYQBVUXZXJSO,GJGYQBVUXZXJSO-UHFFFAOYSA-N,"InChI=1S/C20H15F2N3O2/c1-2-27-20(26)19-17-10-23-18(12-3-5-13(21)6-4-12)15-9-14(22)7-8-16(15)25(17)11-24-19/h3-9,11H,2,10H2,1H3","""AuxInfo=1/0/N:1,2,12,17,13,16,21,20,24,8,26,11,14,22,18,19,7,10,6,4,15,23,9,27,25,5,3/E:(3,4)(5,6)/rA:27CCOCOCCCNCCCCCFCCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2173576,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-GJGYQBVUXZXJSO_on_P31644_WT,Low,ChEMBL30,CHEMBL2170373,CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1,GJGYQBVUXZXJSO,GJGYQBVUXZXJSO-UHFFFAOYSA-N,"InChI=1S/C20H15F2N3O2/c1-2-27-20(26)19-17-10-23-18(12-3-5-13(21)6-4-12)15-9-14(22)7-8-16(15)25(17)11-24-19/h3-9,11H,2,10H2,1H3","""AuxInfo=1/0/N:1,2,12,17,13,16,21,20,24,8,26,11,14,22,18,19,7,10,6,4,15,23,9,27,25,5,3/E:(3,4)(5,6)/rA:27CCOCOCCCNCCCCCFCCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2173576,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-GJGYQBVUXZXJSO_on_P47869_WT,Low,ChEMBL30,CHEMBL2170373,CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1,GJGYQBVUXZXJSO,GJGYQBVUXZXJSO-UHFFFAOYSA-N,"InChI=1S/C20H15F2N3O2/c1-2-27-20(26)19-17-10-23-18(12-3-5-13(21)6-4-12)15-9-14(22)7-8-16(15)25(17)11-24-19/h3-9,11H,2,10H2,1H3","""AuxInfo=1/0/N:1,2,12,17,13,16,21,20,24,8,26,11,14,22,18,19,7,10,6,4,15,23,9,27,25,5,3/E:(3,4)(5,6)/rA:27CCOCOCCCNCCCCCFCCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2173575,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-GJGYQBVUXZXJSO_on_P47870_WT,Low,ChEMBL30,CHEMBL2170373,CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1,GJGYQBVUXZXJSO,GJGYQBVUXZXJSO-UHFFFAOYSA-N,"InChI=1S/C20H15F2N3O2/c1-2-27-20(26)19-17-10-23-18(12-3-5-13(21)6-4-12)15-9-14(22)7-8-16(15)25(17)11-24-19/h3-9,11H,2,10H2,1H3","""AuxInfo=1/0/N:1,2,12,17,13,16,21,20,24,8,26,11,14,22,18,19,7,10,6,4,15,23,9,27,25,5,3/E:(3,4)(5,6)/rA:27CCOCOCCCNCCCCCFCCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2173575,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-GJICJCYMPFHBPO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL208731;11381029,Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1,GJICJCYMPFHBPO,GJICJCYMPFHBPO-UHFFFAOYSA-N,InChI=1S/C15H10ClN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H,"""AuxInfo=1/0/N:14,15,13,3,20,4,19,8,16,9,2,5,12,7,11,1,17,10,18,6/E:(4,5)(6,7)/rA:20ClCCCCSCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700;PubChemAID:263826,PMID:16481165,2006.0,PMID:16481165;PubChemAID:263826,2006;2010,1;0,0,0,0,0;1,,=,  6.500;  6.495,6.497999999999999,0.003,0.003,2.0,6.497999999999999,0.002
-GJLFDWIIHKYOMR_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223243;49865352,O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ncncc1,GJLFDWIIHKYOMR,GJLFDWIIHKYOMR-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4O3S/c18-14-3-1-2-4-15(14)22-26(24,25)13-7-5-12(6-8-13)21-17(23)16-9-10-19-11-20-16/h1-11,22H,(H,21,23)","""AuxInfo=1/1/N:16,17,15,18,5,20,6,19,26,25,23,4,7,13,12,21,2,14,24,22,3,11,1,9,10,8/E:(5,6)(7,8)(24,25)/CRV:26.6/rA:26OCNCCCCSOONCCClCCCCCCCNCNCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s12d17;s7;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  6.320;  6.321,6.321000000000001,0.0,0.0,2.0,6.321000000000001,0.0
-GJMAJJZUVKDXAJ_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53387883;CHEMBL1830713,Cc1n[nH]c(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1,GJMAJJZUVKDXAJ,GJMAJJZUVKDXAJ-UHFFFAOYSA-N,"InChI=1S/C13H14N6S/c1-7-5-11(19-17-7)15-13-16-12-8-6-14-18-9(8)3-2-4-10(12)20-13/h5-6H,2-4H2,1H3,(H,14,18)(H2,15,16,17,19)","""AuxInfo=1/1/N:1,12,13,11,20,16,2,15,14,10,5,9,7,17,6,8,3,18,4,19/rA:20CCNNCNCNCCCCCCCCNNSC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.620;  5.620,5.62,0.0,0.0,2.0,5.62,0.0
-GJOQJQBXQRCEIR_on_P31644_WT,High,ChEMBL30,CHEMBL3676423,CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1,GJOQJQBXQRCEIR,GJOQJQBXQRCEIR-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O3/c1-3-20-18(24)12-4-7-16(22-8-12)25-10-14-11(2)26-23-17(14)15-6-5-13(19)9-21-15/h4-9H,3,10H2,1-2H3,(H,20,24)","""AuxInfo=1/1/N:1,14,2,7,20,19,8,26,23,11,13,6,21,12,18,9,17,4,22,3,24,25,16,5,10,15/rA:26CCNCOCCCCOCCCCONCCCCCFCNNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;d18;s19;d20;s21;s21;s18d23;s9;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-GJORSIHVHUUNFX_on_P41594_WT,High,ChEMBL30,CHEMBL3931619;CHEMBL3938396;CHEMBL3938396,O=C1NC(c2cc(C#CC3CC(F)C3)cnc2)C(c2cccc(F)c2)O1,GJORSIHVHUUNFX,GJORSIHVHUUNFX-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O2/c21-16-3-1-2-14(9-16)19-18(24-20(25)26-19)15-6-13(10-23-11-15)5-4-12-7-17(22)8-12/h1-3,6,9-12,17-19H,7-8H2,(H,24,25)","""AuxInfo=1/1/N:21,20,22,9,8,6,11,14,25,15,17,10,7,19,5,23,12,4,18,2,24,13,16,3,1,26/E:(7,8)/rA:26OCNCCCCCCCCCFCCNCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s10s12;d7;s15;s5d16;s4;s18;d19;s20;d21;s22;s23;s19d23;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;0;1,0,1;1;0,0,,=,  7.420;  7.520;  7.890,7.61,0.20199999999999999,0.14300000000000002,3.0,7.52,0.1
-GJPGWMDXGZVAKW_on_Q14833_WT,High,ChEMBL30,CHEMBL1922728,O=C(COc1c(Br)cccc1)c1ccc(Cl)nc1,GJPGWMDXGZVAKW,GJPGWMDXGZVAKW-UHFFFAOYSA-N,"InChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2","""AuxInfo=1/0/N:9,10,8,11,13,14,18,3,12,6,2,5,15,7,16,17,1,4/rA:18OCCOCCBrCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,=,  5.090,5.09,0.0,0.0,1.0,5.09,0.0
-GJRYMBBDUMASOC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL194538;44403567,Cc1ccc(S(=O)(=O)N2CC=C(C#Cc3ncccc3)CC2)cc1,GJRYMBBDUMASOC,GJRYMBBDUMASOC-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2S/c1-16-5-9-19(10-6-16)24(22,23)21-14-11-17(12-15-21)7-8-18-4-2-3-13-20-18/h2-6,9-11,13H,12,14-15H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,24,13,14,4,23,11,21,17,10,22,2,12,15,5,16,9,7,8,6/E:(5,6)(9,10)(22,23)/CRV:24.6/rA:24CCCCCSOONCCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;s10;w?11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882;PubChemAID:255928,PMID:16115767,2005.0,PMID:16115767;PubChemAID:255928,2005;2010,1;0,0,0,0,0;1,,=,  8.100;  8.102,8.101,0.001,0.001,2.0,8.101,0.001
-GJSSIGYGTUVMDF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3956003,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC4CC4)c3)n2)cc(C)n1,GJSSIGYGTUVMDF,GJSSIGYGTUVMDF-UHFFFAOYSA-N,"InChI=1S/C24H26FN3O2/c1-15-11-19(12-16(2)26-15)23-21-7-9-29-10-8-28(21)24(27-23)18-5-6-20(25)22(13-18)30-14-17-3-4-17/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3","""AuxInfo=1/0/N:1,29,23,24,15,16,7,11,8,10,3,27,25,21,2,28,22,14,4,17,6,19,5,13,18,30,26,12,9,20/E:(1,2)(3,4)(11,12)(15,16)/rA:30CCCCCCCCOCCNCCCCCFCOCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s22s23;s14d19;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-GJSZNMIBJGJSCJ_on_Q14833_WT,High,ChEMBL30,CHEMBL556535,O=C(Nc1cc(Cl)c(Cl)cc1)c1ccc(Br)o1,GJSZNMIBJGJSCJ,GJSZNMIBJGJSCJ-UHFFFAOYSA-N,"InChI=1S/C11H6BrCl2NO2/c12-10-4-3-9(17-10)11(16)15-6-1-2-7(13)8(14)5-6/h1-5H,(H,15,16)","""AuxInfo=1/1/N:11,10,13,14,5,4,8,6,12,15,2,16,9,7,3,1,17/rA:17OCNCCCClCClCCCCCCBrO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;s12s15;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-GJTVCRARAGKWSI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL195932;11149253,CCOc1cccnc1Nc1nc(OC)ccc1,GJTVCRARAGKWSI,GJTVCRARAGKWSI-UHFFFAOYSA-N,"InChI=1S/C13H15N3O2/c1-3-18-10-6-5-9-14-13(10)16-11-7-4-8-12(15-11)17-2/h4-9H,3H2,1-2H3,(H,14,15,16)","""AuxInfo=1/1/N:1,15,2,17,6,5,18,16,7,4,11,13,9,8,12,10,14,3/rA:18CCOCCCCNCNCNCOCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;s13;s14;d13;s16;s11d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.250;  6.255,6.252000000000001,0.003,0.003,2.0,6.252000000000001,0.002
-GJWASRCPTSMKSF_on_O15399_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_O60391_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_Q05586_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_Q12879_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_Q13224_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GJWASRCPTSMKSF_on_Q14957_WT,Low,ChEMBL30,CHEMBL275966,COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,GJWASRCPTSMKSF,GJWASRCPTSMKSF-UHFFFAOYSA-N,"InChI=1S/C10H10N3O8P/c1-21-10(22(18,19)20)5-2-4(13(16)17)3-6-7(5)12-9(15)8(14)11-6/h2-3,10H,1H3,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:1,18,13,14,4,12,5,9,7,3,11,6,15,10,8,16,17,20,21,22,2,19/E:(16,17)(18,19,20)/CRV:13.5/rA:22COCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s14;d15;s15;s4d14;s3;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GKAKWEIIOGWJTD_on_P41594_WT,High,ChEMBL30,CHEMBL3745812,O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1,GKAKWEIIOGWJTD,GKAKWEIIOGWJTD-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:22,25,10,13,21,26,9,14,18,17,4,6,23,11,5,20,8,3,2,24,12,15,19,16,1,7/E:(1,2)(3,4)(5,6)(7,8)/rA:26OCCCCCOCCCCFCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s8d13;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.980;  7.000,6.99,0.01,0.01,2.0,6.99,0.01
-GKAKWEIIOGWJTD_on_Q14832_WT,High,ChEMBL30,CHEMBL3745812,O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1,GKAKWEIIOGWJTD,GKAKWEIIOGWJTD-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:22,25,10,13,21,26,9,14,18,17,4,6,23,11,5,20,8,3,2,24,12,15,19,16,1,7/E:(1,2)(3,4)(5,6)(7,8)/rA:26OCCCCCOCCCCFCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s8d13;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-GKDKOMAJZATYAY_on_Q14573_WT,Medium,ChEMBL30,CHEMBL283791,O=P(O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O,GKDKOMAJZATYAY,GKDKOMAJZATYAY-UHFFFAOYSA-N,"InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","""AuxInfo=1/1/N:9,7,11,6,13,19,10,8,12,1,3,4,16,17,18,22,23,24,5,14,20,2,15,21/E:(2,3)(4,5)(8,9)(10,11,12,13,14,15)(16,17,18)(19,20)(22,23)/gE:(1,2)/rA:24OPOOOCCOCOCOCOPOOOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s11;s13;s14;d15;s15;s15;s6s13;s19;s20;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697185,PMID:10197969,1999.0,PMID:10197969,1999,1,0,0,0,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-GKERFUDNQOHVJH_on_P31644_WT,High,ChEMBL30,CHEMBL3676441,O=C(NC1CC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,GKERFUDNQOHVJH,GKERFUDNQOHVJH-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O3/c19-13-2-5-15(20-8-13)17-12(10-26-23-17)9-25-16-6-1-11(7-21-16)18(24)22-14-3-4-14/h1,6-7,10,13-15,20H,2-5,8-9H2,(H,22,24)","""AuxInfo=1/1/N:8,20,5,6,19,9,26,23,12,14,7,13,21,4,18,10,17,2,22,24,25,3,16,1,11,15/E:(3,4)/rA:26OCNCCCCCCCOCCCONCCCCCFCNNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;s18;s19;s20;s21;s21;s18s23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-GKFJJGGJSQMXIU_on_O15399_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_O60391_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_Q05586_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_Q12879_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_Q13224_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKFJJGGJSQMXIU_on_Q14957_WT,Low,ChEMBL30,CHEMBL312318,Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C,GKFJJGGJSQMXIU,GKFJJGGJSQMXIU-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-11-7-5-8-12(2)15(11)19-17(18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,7,15,20,4,17,3,5,16,18,2,6,14,19,8,13,10,11,9,12/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(19,20)/rA:20CCCCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-GKGRZLGAQZPEHO_on_O15399_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-GKGRZLGAQZPEHO_on_O60391_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-GKGRZLGAQZPEHO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-GKGRZLGAQZPEHO_on_Q05586_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1803133;CHEMBL1805121;CHEMBL1805126;CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:21453995;PMID:21453995;PMID:21453995;PMID:15225705;PMID:15225705,2011;2011;2011;2004;2004,1,0,0,0,0,,=,  8.400;  8.220;  7.160;  8.400;  8.220,8.08,0.467,0.233,5.0,8.22,0.18
-GKGRZLGAQZPEHO_on_Q12879_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-GKGRZLGAQZPEHO_on_Q13224_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL1803133;CHEMBL1805126;CHEMBL1805121;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705;PMID:21453995;PMID:21453995;PMID:21453995;PMID:15225705,2004;2011;2011;2011;2004,1,0,0,0,0,,=,  8.220;  8.400;  7.160;  8.220;  8.400,8.08,0.467,0.233,5.0,8.22,0.18
-GKGRZLGAQZPEHO_on_Q14957_WT,Low,ChEMBL30,CHEMBL182066,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,GKGRZLGAQZPEHO,GKGRZLGAQZPEHO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-GKMKRWRHGQFUEC_on_P31644_WT,High,ChEMBL30,CHEMBL3681437,O=C(NCC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,GKMKRWRHGQFUEC,GKMKRWRHGQFUEC-UHFFFAOYSA-N,"InChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(18(27-30-19)14-4-2-1-3-5-14)12-29-17-9-8-15(11-25-17)20(28)26-10-13-6-7-13/h1-5,8-9,11,13H,6-7,10,12H2,(H,26,28)","""AuxInfo=1/1/N:26,25,27,24,28,6,7,9,10,4,30,13,5,23,8,14,11,22,15,2,16,17,18,19,29,3,21,1,12,20/E:(2,3)(4,5)(6,7)(22,23,24)/rA:30OCNCCCCCCCCOCCCCFFFONCCCCCCCNC/rB:d1;s2;s3;s4;s5;s5s6;s2;d8;s9;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s20;s14d21;s22;d23;s24;d25;s26;s23d27;s11;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-GKMVXTBUXDRFHO_on_Q14416_WT,High,ChEMBL30,CHEMBL3133884,O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(-c3ccc(I)cc3)cc2)N1,GKMVXTBUXDRFHO,GKMVXTBUXDRFHO-UHFFFAOYSA-N,"InChI=1S/C24H17IN4O/c25-19-7-4-16(5-8-19)17-6-9-21-23(13-17)28-24(30)14-22(27-21)18-2-1-3-20(12-18)29-11-10-26-15-29/h1-13,15H,14H2,(H,28,30)","""AuxInfo=1/1/N:7,6,8,22,27,28,23,26,29,12,11,15,19,3,14,21,20,5,24,9,17,4,18,2,25,13,16,30,10,1/E:(4,5)(7,8)/rA:30OCCCCCCCCNCCNCCNCCCCCCCCICCCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s5d9;w?4;s16;d17;s18;d19;s20;d21;s22;d23;s24;s24;s21d26;s20;s17d28;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3137095,DOI:10.1039/C3MD00110E,2013.0,DOI:10.1039/C3MD00110E,2013,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-GKRFHHRXDUACIN_on_P14867_WT,Low,ChEMBL30,CHEMBL13254,CCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC,GKRFHHRXDUACIN,GKRFHHRXDUACIN-UHFFFAOYSA-N,"InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3","""AuxInfo=1/0/N:1,13,22,26,10,17,2,19,23,20,24,11,14,12,3,8,15,7,4,18,5,21,25,9,16,6/E:(3,4)(5,6)(8,9)(10,11)(12,13)(16,17)(22,23)(24,25)/rA:26CCCCOOCCOCCCCCCOCNCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s8;d11;s12;s12;s7d14;s15;s16;s3;s18;s19;s20;s21;s18;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKRFHHRXDUACIN_on_P18507_WT,Low,ChEMBL30,CHEMBL13254,CCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC,GKRFHHRXDUACIN,GKRFHHRXDUACIN-UHFFFAOYSA-N,"InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3","""AuxInfo=1/0/N:1,13,22,26,10,17,2,19,23,20,24,11,14,12,3,8,15,7,4,18,5,21,25,9,16,6/E:(3,4)(5,6)(8,9)(10,11)(12,13)(16,17)(22,23)(24,25)/rA:26CCCCOOCCOCCCCCCOCNCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s8;d11;s12;s12;s7d14;s15;s16;s3;s18;s19;s20;s21;s18;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKRFHHRXDUACIN_on_P28472_WT,Low,ChEMBL30,CHEMBL13254,CCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC,GKRFHHRXDUACIN,GKRFHHRXDUACIN-UHFFFAOYSA-N,"InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3","""AuxInfo=1/0/N:1,13,22,26,10,17,2,19,23,20,24,11,14,12,3,8,15,7,4,18,5,21,25,9,16,6/E:(3,4)(5,6)(8,9)(10,11)(12,13)(16,17)(22,23)(24,25)/rA:26CCCCOOCCOCCCCCCOCNCCOCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s8;d11;s12;s12;s7d14;s15;s16;s3;s18;s19;s20;s21;s18;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKRVBHHLRAJEHQ_on_P41594_WT,Low,ChEMBL30,CHEMBL3655611,Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1,GKRVBHHLRAJEHQ,GKRVBHHLRAJEHQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22/h2-11H,1H3,(H,24,25,26)","""AuxInfo=1/1/N:1,4,12,3,5,11,13,17,18,27,25,2,6,16,19,10,14,7,20,21,22,23,24,26,9,8,15/E:(20,21,22)/rA:27CCCCCCCONCCCCCOCCCCCFFFNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-GKTQBPYMIGXPKG_on_O15399_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_O60391_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_Q05586_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_Q12879_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_Q13224_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKTQBPYMIGXPKG_on_Q14957_WT,Low,ChEMBL30,CHEMBL2068762,COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1,GKTQBPYMIGXPKG,GKTQBPYMIGXPKG-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3","""AuxInfo=1/0/N:25,1,16,17,8,7,9,30,31,15,18,13,28,12,29,4,21,6,3,5,10,22,26,20,24,14,11,19,23,27,2/E:(12,13)(14,15)/rA:31COCCCCCCCCNCCNCCCCNNCCONCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s19s24;d26;s14;s11s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL868805,PMID:16392798,2006.0,PMID:16392798,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GKVZLYPVWDZDLN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL233709,CC(=O)NCCCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1,GKVZLYPVWDZDLN,GKVZLYPVWDZDLN-UHFFFAOYSA-N,"InChI=1S/C20H29N3O4/c1-12-16(20(26)27-17-10-14-5-6-15(17)9-14)11-23-18(12)19(25)22-8-4-3-7-21-13(2)24/h11,14-15,17,23H,3-10H2,1-2H3,(H,21,24)(H,22,25)","""AuxInfo=1/1/N:14,1,6,7,22,23,5,8,25,20,26,13,2,21,24,15,19,12,10,16,4,9,27,3,11,17,18/rA:27CCONCCCCNCOCCCCCOOCCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s13;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s21s24;d15;s12s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GKYRUZWYDPUSOV_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL551958;CHEMBL551958;CHEMBL551958;CHEMBL551958;44224196,O=C(NC1CCCC1)c1ccc(C#Cc2ccccc2)nc1,GKYRUZWYDPUSOV,GKYRUZWYDPUSOV-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c22-19(21-18-8-4-5-9-18)16-11-13-17(20-14-16)12-10-15-6-2-1-3-7-15/h1-3,6-7,11,13-14,18H,4-5,8-9H2,(H,21,22)","""AuxInfo=1/1/N:18,17,19,6,7,16,20,5,8,14,10,13,11,22,15,9,12,4,2,21,3,1/E:(2,3)(4,5)(6,7)(8,9)/rA:22OCNCCCCCCCCCCCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;CHEMBL1032762;CHEMBL1780496;CHEMBL1780498;PubChemAID:598492,PMID:19443216,2009.0,PMID:19443216;PMID:19443216;PMID:21531137;PMID:21531137;PubChemAID:598492,2009;2009;2011;2011;2012,0,1;0;1;0;0,0,0;1;0;1;0,0;0;0;0;1,,=,  7.520;  5.750;  7.720;  5.480;  7.721,6.837999999999999,1.005,0.503,5.0,7.52,0.201
-GLGCNVJDHYAGKG_on_P31644_WT,High,ChEMBL30,CHEMBL3676427,Cc1c(CNc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cccc(F)c2)no1,GLGCNVJDHYAGKG,GLGCNVJDHYAGKG-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O3/c1-14-19(21(27-30-14)15-3-2-4-17(23)11-15)13-25-20-6-5-16(12-24-20)22(28)26-18-7-9-29-10-8-18/h2-6,11-12,18H,7-10,13H2,1H3,(H,24,25)(H,26,28)","""AuxInfo=1/1/N:1,24,23,25,8,7,14,18,15,17,28,19,4,2,22,9,26,13,3,6,21,10,27,20,5,12,29,11,16,30/E:(7,8)(9,10)/rA:30CCCCNCCCCCONCCCOCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s26;s22d26;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.830,7.83,0.0,0.0,1.0,7.83,0.0
-GLGIOPURNZDMQH_on_Q13255_WT,High,ChEMBL30,CHEMBL2418361,O=C(N1CCC2(CCCCC2)CC1)N1CC2CN(c3ccccn3)CC2C1,GLGIOPURNZDMQH,GLGIOPURNZDMQH-UHFFFAOYSA-N,"InChI=1S/C22H32N4O/c27-21(24-12-9-22(10-13-24)7-3-1-4-8-22)26-16-18-14-25(15-19(18)17-26)20-6-2-5-11-23-20/h2,5-6,11,18-19H,1,3-4,7-10,12-17H2","""AuxInfo=1/0/N:9,21,8,10,22,20,7,11,5,12,23,4,13,17,25,15,27,16,26,19,2,6,24,3,18,14,1/E:(3,4)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:27OCNCCCCCCCCCCNCCCNCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s6;s3s12;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s16s25;s14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  6.440;  6.440,6.44,0.0,0.0,2.0,6.44,0.0
-GLJRDKAYQYOCDN_on_Q14833_WT,High,ChEMBL30,CHEMBL2022867,c1ccc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1,GLJRDKAYQYOCDN,GLJRDKAYQYOCDN-UHFFFAOYSA-N,InChI=1S/C18H13N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-13H,"""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,9,10,18,6,7,4,8,13,12,11,19,5/E:(2,3)(6,7)/rA:21CCCCNCCCCCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s12d16;s7;s5d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-GLJTXBCIQTUKNN_on_P31644_WT,High,ChEMBL30,CHEMBL3681617,O=C(NC1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,GLJTXBCIQTUKNN,GLJTXBCIQTUKNN-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O5S/c21-16-4-1-13(2-5-16)19-15(11-29-24-19)10-28-18-6-3-14(9-22-18)20(25)23-17-7-8-30(26,27)12-17/h1-6,9,11,17H,7-8,10,12H2,(H,23,25)","""AuxInfo=1/1/N:23,28,12,24,27,13,5,6,30,16,18,10,22,11,17,25,4,14,21,2,26,29,3,20,1,8,9,15,19,7/E:(1,2)(4,5)(26,27)/CRV:30.6/rA:30OCNCCCSOOCCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s6;d7;d7;s4s7;s2;d11;s12;d13;s14;s15;s16;d17;s18;s19;s17d20;s21;d22;s23;d24;s25;s25;s22d27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-GLKLCGNIPXPPEJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634434,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1,GLKLCGNIPXPPEJ,GLKLCGNIPXPPEJ-UHFFFAOYSA-N,"InChI=1S/C20H15N3O4/c1-11-4-3-5-14-16(11)20(26)23(19(14)25)15-7-6-13(10-21-15)22-18(24)17-12(2)8-9-27-17/h3-10H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,27,26,24,18,2,7,14,10,15,3,4,12,16,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCCCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.020;  7.020,7.02,0.0,0.0,2.0,7.02,0.0
-GLKLCGNIPXPPEJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634434,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1,GLKLCGNIPXPPEJ,GLKLCGNIPXPPEJ-UHFFFAOYSA-N,"InChI=1S/C20H15N3O4/c1-11-4-3-5-14-16(11)20(26)23(19(14)25)15-7-6-13(10-21-15)22-18(24)17-12(2)8-9-27-17/h3-10H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,27,26,24,18,2,7,14,10,15,3,4,12,16,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCCCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-GLKOLRAYQWILGD_on_P41594_WT,High,ChEMBL30,CHEMBL1630059,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2ncnn12,GLKOLRAYQWILGD,GLKOLRAYQWILGD-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,19,2,4,10,3,17,7,18,20,9,21,8,6,16/E:(4,5)(6,7)/rA:21CCCCCOCONCCCCCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-GLULGXMHQKVTOE_on_P41594_WT,High,ChEMBL30,CHEMBL1779875,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccc(Cl)cc1)cc2,GLULGXMHQKVTOE,GLULGXMHQKVTOE-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O/c22-16-8-5-15(6-9-16)7-10-17-11-12-19-20(23-17)13-14-24(21(19)25)18-3-1-2-4-18/h5-6,8-9,11-12,18H,1-4,13-14H2","""AuxInfo=1/0/N:10,11,9,12,18,23,16,19,22,15,24,25,5,6,17,20,14,8,3,4,2,21,13,7,1/E:(1,2)(3,4)(5,6)(8,9)/rA:25OCCCCCNCCCCCNCCCCCCCClCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s20;s17d22;s14;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-GLUYPOGPLCBWGM_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,49865350;CHEMBL1223241,O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(F)n1,GLUYPOGPLCBWGM,GLUYPOGPLCBWGM-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O3S/c19-14-4-1-2-5-15(14)23-27(25,26)13-10-8-12(9-11-13)21-18(24)16-6-3-7-17(20)22-16/h1-11,23H,(H,21,24)","""AuxInfo=1/1/N:15,14,23,16,13,22,24,5,20,6,19,4,7,17,12,21,25,2,18,26,3,27,11,1,9,10,8/E:(8,9)(10,11)(25,26)/CRV:27.6/rA:27OCNCCCCSOONCCCCCCClCCCCCCCFN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s17;s7;s4d19;s2;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:501614;CHEMBL1228192,PMID:20667732,2010.0,PubChemAID:501614;PMID:20667732,2011;2010,0,0;1,0,0,1;0,,=,  6.914;  6.910,6.912000000000001,0.002,0.002,2.0,6.912000000000001,0.002
-GLVIOTOHLKXDLX_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2179314;57459640,Clc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,GLVIOTOHLKXDLX,GLVIOTOHLKXDLX-UHFFFAOYSA-N,"InChI=1S/C21H23ClN4/c22-20-18(10-13-26-19(14-15-6-7-15)23-24-21(20)26)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2","""AuxInfo=1/0/N:11,10,12,9,13,22,23,6,14,16,5,15,17,20,21,8,7,3,19,2,26,1,24,25,4,18/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:26ClCCNCCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s4s14;s3;d16;s17;s18;s19;s20;s21;s21s22;d19;s24;s2s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482;PubChemAID:711294,PMID:23072213,2012.0,PMID:23072213;PubChemAID:711294,2012;2013,0,1;0,0,0,0;1,,=,  6.990;  6.991,6.99,0.0,0.0,2.0,6.99,0.0
-GLVUIEJZBBHUHJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3931820,Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1,GLVUIEJZBBHUHJ,GLVUIEJZBBHUHJ-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N3O3S2/c1-10-16(27(24,25)9-11-5-6-12(18)8-13(11)19)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,9,10,25,13,7,2,8,11,14,21,19,3,17,12,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCClCCClSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-GLYFWZRDCYVIHC_on_P31644_WT,High,ChEMBL30,CHEMBL3676517,Cc1c(C(=O)NC2CCOCC2)cc(Br)c(OCc2c(C)onc2-c2ccccc2)n1,GLYFWZRDCYVIHC,GLYFWZRDCYVIHC-UHFFFAOYSA-N,"InChI=1S/C23H24BrN3O4/c1-14-18(22(28)26-17-8-10-29-11-9-17)12-20(24)23(25-14)30-13-19-15(2)31-27-21(19)16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,21,28,27,29,26,30,8,12,9,11,13,18,2,20,25,7,3,19,14,24,4,16,15,31,6,23,5,10,17,22/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCONCCCOCCCCBrCOCCCCONCCCCCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;d13;s14;s14;s16;s17;s18;d19;s20;s20;s22;s19d23;s24;d25;s26;d27;s28;s25d29;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GMAIHWNDASSSEY_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3907055,CN1C(=O)N(c2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)C(=O)C1C(C)(C)C,GMAIHWNDASSSEY,GMAIHWNDASSSEY-UHFFFAOYSA-N,"InChI=1S/C20H21ClN6O2/c1-20(2,3)16-18(28)27(19(29)26(16)4)14-8-7-11(10-12(14)21)23-17-15-13(24-25-17)6-5-9-22-15/h5-10,16H,1-4H3,(H2,23,24,25)","""AuxInfo=1/1/N:27,28,29,1,15,16,8,7,14,20,9,21,17,6,12,25,11,23,3,26,22,13,10,18,19,2,5,24,4/E:(1,2,3)/rA:29CNCONCCCCNCCNCCCCNNCCClCOCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s9;s6d20;s21;s5;d23;s2s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-GMANOBSQEZOVMG_on_Q13255_WT,High,ChEMBL30,CHEMBL175377,CCc1c(CC)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,GMANOBSQEZOVMG,GMANOBSQEZOVMG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,6,19,2,5,15,21,10,16,20,9,24,22,3,14,11,23,17,4,8,12,7,13,18/E:(6,7)(9,10)/rA:24CCCCCCNCCCCCOCCCCOCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s17;s14s20;d11;s8s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-GMARWYTUKIGILU_on_Q14833_WT,High,ChEMBL30,CHEMBL3797923,Nc1c(C(=O)Nc2cc(Cl)c(N3CC(Cc4ccccc4)CC3=O)cc2)nccc1,GMARWYTUKIGILU,GMARWYTUKIGILU-UHFFFAOYSA-N,"InChI=1S/C23H21ClN4O2/c24-18-13-17(27-23(30)22-19(25)7-4-10-26-22)8-9-20(18)28-14-16(12-21(28)29)11-15-5-2-1-3-6-15/h1-10,13,16H,11-12,14,25H2,(H,27,30)","""AuxInfo=1/1/N:19,18,20,29,17,21,30,26,25,28,15,22,8,13,16,14,7,9,2,11,23,3,4,10,1,27,6,12,24,5/E:(2,3)(5,6)/rA:30NCCCONCCCClCNCCCCCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s12s22;d23;s11;s7d25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.120;  9.120,7.62,1.5,1.5,2.0,7.62,1.5
-GMBFLYCSKIZGSA_on_P41594_WT,High,ChEMBL30,CHEMBL1682828,c1ccc(OCc2cnc3NCCOc3c2)cc1,GMBFLYCSKIZGSA,GMBFLYCSKIZGSA-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2/c1-2-4-12(5-3-1)18-10-11-8-13-14(16-9-11)15-6-7-17-13/h1-5,8-9H,6-7,10H2,(H,15,16)","""AuxInfo=1/1/N:1,2,18,3,17,12,13,16,8,6,7,4,15,10,11,9,14,5/E:(2,3)(4,5)/rA:18CCCCOCCCNCNCCOCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s10s14;s7d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-GMDWNQKWHZCRCZ_on_P41594_WT,High,ChEMBL30,CHEMBL272800,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cscc2)n1,GMDWNQKWHZCRCZ,GMDWNQKWHZCRCZ-UHFFFAOYSA-N,"InChI=1S/C15H9F3N2S/c1-10-7-20-8-12(15(16,17)18)6-14(20)13(19-10)3-2-11-4-5-21-9-11/h4-9H,1H3","""AuxInfo=1/0/N:1,15,14,20,19,11,3,5,17,2,16,6,13,12,7,8,9,10,21,4,18/E:(16,17,18)/rA:21CCCNCCCFFFCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;s16d19;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GMDXFYPWVIKBFF_on_P14867_WT,Low,ChEMBL30,CHEMBL382198,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,GMDXFYPWVIKBFF,GMDXFYPWVIKBFF-UHFFFAOYSA-N,"InChI=1S/C21H16FN7O/c1-28-18(23-13-25-28)12-30-21-19(14-7-3-2-4-8-14)17-11-24-26-20(29(17)27-21)15-9-5-6-10-16(15)22/h2-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,28,27,29,15,16,26,30,14,17,22,7,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8/E:(3,4)(7,8)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853520,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-GMDXFYPWVIKBFF_on_P18507_WT,Low,ChEMBL30,CHEMBL382198,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,GMDXFYPWVIKBFF,GMDXFYPWVIKBFF-UHFFFAOYSA-N,"InChI=1S/C21H16FN7O/c1-28-18(23-13-25-28)12-30-21-19(14-7-3-2-4-8-14)17-11-24-26-20(29(17)27-21)15-9-5-6-10-16(15)22/h2-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,28,27,29,15,16,26,30,14,17,22,7,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8/E:(3,4)(7,8)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853520;CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.410;  9.110,9.26,0.15,0.15,2.0,9.26,0.15
-GMDXFYPWVIKBFF_on_P28472_WT,Low,ChEMBL30,CHEMBL382198,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,GMDXFYPWVIKBFF,GMDXFYPWVIKBFF-UHFFFAOYSA-N,"InChI=1S/C21H16FN7O/c1-28-18(23-13-25-28)12-30-21-19(14-7-3-2-4-8-14)17-11-24-26-20(29(17)27-21)15-9-5-6-10-16(15)22/h2-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,28,27,29,15,16,26,30,14,17,22,7,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8/E:(3,4)(7,8)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517;CHEMBL853520,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.110;  9.410,9.26,0.15,0.15,2.0,9.26,0.15
-GMDXFYPWVIKBFF_on_P34903_WT,Low,ChEMBL30,CHEMBL382198,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1,GMDXFYPWVIKBFF,GMDXFYPWVIKBFF-UHFFFAOYSA-N,"InChI=1S/C21H16FN7O/c1-28-18(23-13-25-28)12-30-21-19(14-7-3-2-4-8-14)17-11-24-26-20(29(17)27-21)15-9-5-6-10-16(15)22/h2-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,28,27,29,15,16,26,30,14,17,22,7,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8/E:(3,4)(7,8)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-GMFQPQQGURBQLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL566181,CCOc1c2Cn3nccc3-c3c(cccc3)-n2cn1,GMFQPQQGURBQLQ,GMFQPQQGURBQLQ-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,10,9,6,19,12,13,11,5,4,20,8,18,7,3/rA:20CCOCCCNNCCCCCCCCCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s12d16;s5s13;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GMFQPQQGURBQLQ_on_P28472_WT,Low,ChEMBL30,CHEMBL566181,CCOc1c2Cn3nccc3-c3c(cccc3)-n2cn1,GMFQPQQGURBQLQ,GMFQPQQGURBQLQ-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,10,9,6,19,12,13,11,5,4,20,8,18,7,3/rA:20CCOCCCNNCCCCCCCCCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s12d16;s5s13;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GMFQPQQGURBQLQ_on_P31644_WT,Low,ChEMBL30,CHEMBL566181,CCOc1c2Cn3nccc3-c3c(cccc3)-n2cn1,GMFQPQQGURBQLQ,GMFQPQQGURBQLQ-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,10,9,6,19,12,13,11,5,4,20,8,18,7,3/rA:20CCOCCCNNCCCCCCCCCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s12d16;s5s13;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-GMFUIVLIESEUHZ_on_P14867_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-GMFUIVLIESEUHZ_on_P18507_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL677034;CHEMBL680432;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.810;  7.130;  7.830;  8.410,7.795,0.45299999999999996,0.262,4.0,7.82,0.3
-GMFUIVLIESEUHZ_on_P28472_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680432;CHEMBL682709;CHEMBL677034;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.830;  7.810;  7.130;  8.410,7.795,0.45299999999999996,0.262,4.0,7.82,0.3
-GMFUIVLIESEUHZ_on_P31644_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-GMFUIVLIESEUHZ_on_P34903_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.830,7.83,0.0,0.0,1.0,7.83,0.0
-GMFUIVLIESEUHZ_on_P47869_WT,Low,ChEMBL30,CHEMBL121370,Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1,GMFUIVLIESEUHZ,GMFUIVLIESEUHZ-UHFFFAOYSA-N,"InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,18,14,2,27,24,15,10,11,9,6,12,5,30,8,7,22,3,16,23,17,13,4/E:(5,6)(7,8)/CRV:26.5/rA:30CCNOCCNNCCCCOCCN+O-CCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-GMIZGDGVYPBQCS_on_P41594_WT,High,ChEMBL30,CHEMBL212130,Cc1ccc(OCC#Cc2cccc(C)n2)cc1,GMIZGDGVYPBQCS,GMIZGDGVYPBQCS-UHFFFAOYSA-N,"InChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,15,12,8,13,11,9,3,18,4,17,7,2,14,10,5,16,6/E:(8,9)(10,11)/rA:18CCCCCOCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-GMKMPZQKCHGRMQ_on_P41594_WT,High,ChEMBL30,CHEMBL3655642,O=C(Nc1cc(Oc2cncnc2)ccn1)c1cc(Cl)ccc1,GMKMPZQKCHGRMQ,GMKMPZQKCHGRMQ-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(6-12)16(22)21-15-7-13(4-5-20-15)23-14-8-18-10-19-9-14/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,23,21,14,15,18,5,9,13,11,17,19,6,8,4,2,20,10,12,16,3,1,7/E:(8,9)(18,19)/rA:23OCNCCCOCCNCNCCCNCCCClCCC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d6;s14;s4d15;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.330;  5.870,6.1,0.23,0.23,2.0,6.1,0.23
-GMMCGAUGVKQWNP_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16661728;CHEMBL567668,CCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1,GMMCGAUGVKQWNP,GMMCGAUGVKQWNP-UHFFFAOYSA-N,"InChI=1S/C17H14FN3OS/c1-2-21(16(22)12-6-8-13(18)9-7-12)17-20-15(11-23-17)14-5-3-4-10-19-14/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,17,7,12,8,11,20,22,6,9,16,15,4,13,10,21,14,3,5,23/E:(6,7)(8,9)/rA:23CCNCOCCCCFCCCNCCCCCCNCS/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;s6d11;s3;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:449312;CHEMBL1046437,PMID:19674894,2009.0,PubChemAID:449312;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  7.745;  7.750,7.747999999999999,0.002,0.002,2.0,7.747999999999999,0.002
-GMNRUGDDEJATLG_on_P41594_WT,Medium,ChEMBL30,CHEMBL239608,O=C(Nc1cc(Br)ccc1)c1cccc2c1nc(O)o2,GMNRUGDDEJATLG,GMNRUGDDEJATLG-UHFFFAOYSA-N,"InChI=1S/C14H9BrN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,15,16,2,18,7,3,17,1,19,20/rA:20OCNCCCBrCCCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885913;CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,1;0,0,0,0;1,0,,=,  7.030;  7.250,7.14,0.11,0.11,2.0,7.14,0.11
-GMUKIZAUXWBOSI_on_Q14833_WT,High,ChEMBL30,CHEMBL3799261,Cc1c2C(=O)N(c3c(Cl)cc(NC(=O)c4c(N)cccn4)cc3)C(=O)c2ccc1,GMUKIZAUXWBOSI,GMUKIZAUXWBOSI-UHFFFAOYSA-N,"InChI=1S/C21H15ClN4O3/c1-11-4-2-5-13-17(11)21(29)26(20(13)28)16-8-7-12(10-14(16)22)25-19(27)18-15(23)6-3-9-24-18/h2-10H,23H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,28,19,29,27,18,22,23,20,10,2,11,26,8,16,7,3,15,13,24,4,9,17,21,12,6,14,25,5/rA:29CCCCONCCClCCNCOCCNCCCNCCCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;s16;d18;s19;s15d20;s11;s7d22;s6;d24;s3s24;d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.160;  9.160,7.66,1.5,1.5,2.0,7.66,1.5
-GMULSUZDWRYCMT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3902193,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1ncco1)cc2,GMULSUZDWRYCMT,GMULSUZDWRYCMT-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-18-8-7-17(25-19(18)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)20-24-9-10-31-20/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,27,28,16,21,6,20,17,15,14,11,12,25,23,3,7,26,13,2,22,5,24,4,29/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNCCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;d27;s25s28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888322;CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.750;  7.640,7.695,0.055,0.055,2.0,7.695,0.055
-GMUXAWMMLAEBKV_on_Q14416_WT,High,ChEMBL30,CHEMBL4278070,CC(C)(C)c1ccc(OCC2Cn3ccc(=O)nc3O2)cc1,GMUXAWMMLAEBKV,GMUXAWMMLAEBKV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,6,22,7,21,15,14,12,10,5,8,11,16,19,2,18,13,17,9,20/E:(1,2,3)(4,5)(6,7)/rA:22CCCCCCCCOCCCNCCCONCOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s16;s13d18;s11s19;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-GMUYAYKRRSCMBO_on_P14867_WT,Low,ChEMBL30,CHEMBL1814306,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N)c1,GMUYAYKRRSCMBO,GMUYAYKRRSCMBO-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7,20H2,3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-GMUYAYKRRSCMBO_on_P47870_WT,Low,ChEMBL30,CHEMBL1814306,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N)c1,GMUYAYKRRSCMBO,GMUYAYKRRSCMBO-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-4-6-13-10-16(19(21)17(20)11-13)14-8-9-18(22-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7,20H2,3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,22,17,4,7,13,6,20,10,18,21,19,11/rA:22CCCCCCCCCCOCCCCCCCOCNC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-GMVMGIYPRPPNMB_on_O00591_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_O14764_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P14867_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P18505_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P18507_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P28472_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P31644_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P34903_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P47869_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P47870_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P48169_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_P78334_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_Q16445_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GMVMGIYPRPPNMB_on_Q99928_WT,Low,ChEMBL30,CHEMBL55023,O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2,GMVMGIYPRPPNMB,GMVMGIYPRPPNMB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-6-14-12(7-10)13(18)8-15(21-14)9-1-4-11(5-2-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:6,13,20,7,12,21,17,3,5,18,8,16,2,15,4,19,9,1,10,11,14/E:(1,2)(4,5)(19,20)/CRV:17.5/rA:21OCCCCCCCN+OO-CCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-GNDJVVLCLJKRST_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3892060,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CC3CN(C(=O)c4ncco4)CC3C1)cc2,GNDJVVLCLJKRST,GNDJVVLCLJKRST-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-23(2,3)13-28-18-6-5-17(25-19(18)26(4)22(28)30)14-9-15-11-27(12-16(15)10-14)21(29)20-24-7-8-31-20/h5-8,14-16H,9-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,30,31,24,25,16,29,18,27,6,15,17,28,14,11,12,22,20,3,7,23,13,2,19,5,21,4,26/E:(1,2,3)(9,10)(11,12)(15,16)/rA:31CNCONCCCCCCCNCCCCCNCOCNCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;d20;s20;d22;s23;d24;s22s25;s19;s17s27;s15s28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-GNHPYSRFPBAFSE_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647550,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(F)c1,GNHPYSRFPBAFSE,GNHPYSRFPBAFSE-UHFFFAOYSA-N,"InChI=1S/C22H20F2N4O2S/c1-4-31(29,30)15-6-7-16(20(24)10-15)17-9-14(5-8-19(17)23)18-11-26-27-22-21(18)25-12-28(22)13(2)3/h5-13H,4H2,1-3H3","""AuxInfo=1/0/N:1,23,24,2,25,7,8,26,11,31,14,20,22,12,6,9,10,13,27,29,18,17,28,30,19,15,16,21,4,5,3/E:(2,3)(29,30)/CRV:31.6/rA:31CCSOOCCCCCCCCCNNCCNCNCCCCCCFCFC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s29;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-GNISLYLQHRTGOI_on_Q14833_WT,Low,ChEMBL30,CHEMBL4065348,ON=c1cc(-c2cc3c(cccc3)[nH]2)oc2c1cccc2,GNISLYLQHRTGOI,GNISLYLQHRTGOI-UHFFFAOYSA-N,"InChI=1S/C17H12N2O2/c20-19-14-10-17(21-16-8-4-2-6-12(14)16)15-9-11-5-1-3-7-13(11)18-15/h1-10,18,20H","""AuxInfo=1/0/N:12,19,11,20,13,18,10,21,7,4,8,17,9,3,6,16,5,14,2,1,15/rA:21ONCCCCCCCCCCCNOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-GNLAIRZHEAKECW_on_O15399_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_O60391_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_Q05586_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_Q12879_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_Q13224_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLAIRZHEAKECW_on_Q14957_WT,Low,ChEMBL30,CHEMBL168488,Brc1cnc(N2CCc3c(cccc3)C2)cc1,GNLAIRZHEAKECW,GNLAIRZHEAKECW-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17BrCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-GNLVJIICVWDSNI_on_O15399_WT,High,ChEMBL30,CHEMBL1215292,COc1ccc2nc(C=Cc3cc([N+](=O)[O-])ccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1,GNLVJIICVWDSNI,GNLVJIICVWDSNI-UHFFFAOYSA-N,"InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14H,1H3,(H,29,30)","""AuxInfo=1/1/N:1,18,19,17,10,23,28,22,29,4,5,9,12,33,11,24,21,13,3,32,6,8,30,25,7,20,14,31,26,27,15,16,2/E:(6,7)(8,9)(29,30)(31,32)/CRV:27.5/rA:33COCCCCNCCCCCCN+OO-CCCNCCCCCOOCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;w?9;s10;d11;s12;s13;d14;s14;d13;s17;s11d18;s8;s20;d21;s22;d23;s24;d25;s25;s24;s21d28;s20;d30;s6s30;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309007,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-GNLVJIICVWDSNI_on_Q12879_WT,Low,ChEMBL30,CHEMBL1215292,COc1ccc2nc(C=Cc3cc([N+](=O)[O-])ccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1,GNLVJIICVWDSNI,GNLVJIICVWDSNI-UHFFFAOYSA-N,"InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14H,1H3,(H,29,30)","""AuxInfo=1/1/N:1,18,19,17,10,23,28,22,29,4,5,9,12,33,11,24,21,13,3,32,6,8,30,25,7,20,14,31,26,27,15,16,2/E:(6,7)(8,9)(29,30)(31,32)/CRV:27.5/rA:33COCCCCNCCCCCCN+OO-CCCNCCCCCOOCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;w?9;s10;d11;s12;s13;d14;s14;d13;s17;s11d18;s8;s20;d21;s22;d23;s24;d25;s25;s24;s21d28;s20;d30;s6s30;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309003,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-GNLVJIICVWDSNI_on_Q13224_WT,Low,ChEMBL30,CHEMBL1215292,COc1ccc2nc(C=Cc3cc([N+](=O)[O-])ccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1,GNLVJIICVWDSNI,GNLVJIICVWDSNI-UHFFFAOYSA-N,"InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14H,1H3,(H,29,30)","""AuxInfo=1/1/N:1,18,19,17,10,23,28,22,29,4,5,9,12,33,11,24,21,13,3,32,6,8,30,25,7,20,14,31,26,27,15,16,2/E:(6,7)(8,9)(29,30)(31,32)/CRV:27.5/rA:33COCCCCNCCCCCCN+OO-CCCNCCCCCOOCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;w?9;s10;d11;s12;s13;d14;s14;d13;s17;s11d18;s8;s20;d21;s22;d23;s24;d25;s25;s24;s21d28;s20;d30;s6s30;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  3.714,3.714,0.0,0.0,1.0,3.714,0.0
-GNLVJIICVWDSNI_on_Q14957_WT,High,ChEMBL30,CHEMBL1215292,COc1ccc2nc(C=Cc3cc([N+](=O)[O-])ccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1,GNLVJIICVWDSNI,GNLVJIICVWDSNI-UHFFFAOYSA-N,"InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14H,1H3,(H,29,30)","""AuxInfo=1/1/N:1,18,19,17,10,23,28,22,29,4,5,9,12,33,11,24,21,13,3,32,6,8,30,25,7,20,14,31,26,27,15,16,2/E:(6,7)(8,9)(29,30)(31,32)/CRV:27.5/rA:33COCCCCNCCCCCCN+OO-CCCNCCCCCOOCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;w?9;s10;d11;s12;s13;d14;s14;d13;s17;s11d18;s8;s20;d21;s22;d23;s24;d25;s25;s24;s21d28;s20;d30;s6s30;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309006,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-GNNBXAOFNLITQG_on_P41594_WT,High,ChEMBL30,CHEMBL3087211,COC(=O)N1CCC(O)(C#Cc2cc(C)ccc2)CC12CCC2,GNNBXAOFNLITQG,GNNBXAOFNLITQG-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-15-5-3-6-16(13-15)7-10-19(22)11-12-20(17(21)23-2)18(14-19)8-4-9-18/h3,5-6,13,22H,4,8-9,11-12,14H2,1-2H3","""AuxInfo=1/0/N:15,1,17,22,16,18,11,21,23,10,7,6,13,19,14,12,3,20,8,5,4,9,2/E:(8,9)/rA:23COCONCCCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s8;t10;s11;d12;s13;s14;d14;s16;s12d17;s8;s5s19;s20;s21;s20s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GNPWJRJUVZBQJJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893015,O=C(c1cnccn1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,GNPWJRJUVZBQJJ,GNPWJRJUVZBQJJ-UHFFFAOYSA-N,"InChI=1S/C18H16FN5O2/c19-13-2-1-3-16(8-13)26-12-14-9-15-11-23(6-7-24(15)22-14)18(25)17-10-20-4-5-21-17/h1-5,8-10H,6-7,11-12H2","""AuxInfo=1/0/N:22,21,23,6,7,10,11,18,24,4,26,15,19,14,25,17,3,2,20,5,8,13,9,12,1,16/rA:26OCCCNCCNNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s14;s12d24;s9s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-GNTAXZMHSFRNIX_on_P41594_WT,High,ChEMBL30,CHEMBL4102181,O=C(c1cc(F)ccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,GNTAXZMHSFRNIX,GNTAXZMHSFRNIX-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-12-3-1-2-11(8-12)18(24)23-7-6-16-15(10-23)22-17(25-16)14-5-4-13(20)9-21-14/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:8,9,7,20,19,12,11,4,23,15,3,5,21,18,14,13,17,2,6,22,24,16,10,1,25/rA:25OCCCCFCCCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-GNTHMLNKEUQGGZ_on_P41594_WT,High,ChEMBL30,CHEMBL2426606,O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1cc(F)ccc1)s2,GNTHMLNKEUQGGZ,GNTHMLNKEUQGGZ-UHFFFAOYSA-N,"InChI=1S/C19H14F2N2O2S/c20-12-4-6-14(7-5-12)23-9-8-16-18(19(23)24)26-17(22-16)11-25-15-3-1-2-13(21)10-15/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:24,23,25,10,13,9,14,5,6,20,17,11,21,8,19,4,16,3,2,12,22,15,7,1,18,26/E:(4,5)(6,7)/rA:26OCCCCCNCCCCFCCNCCOCCCFCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  7.110;  7.120,7.115,0.005,0.005,2.0,7.115,0.005
-GNTKVRBKZSNXHG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894799,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1,GNTKVRBKZSNXHG,GNTKVRBKZSNXHG-UHFFFAOYSA-N,"InChI=1S/C20H14ClFN4O/c21-20-24-7-8-26(20)11-12-1-6-15-16(13-2-4-14(22)5-3-13)10-18(19(23)27)25-17(15)9-12/h1-10H,11H2,(H2,23,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,25,5,18,17,7,10,14,6,26,4,2,23,24,11,1,22,27,19,3/E:(2,3)(4,5)/rA:27NCOCCCCCCCFCCCCCCCNCCNCClCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;s19d22;s23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-GNTYTRMYRRTNNR_on_Q14833_WT,High,ChEMBL30,CHEMBL1830694,Cc1c(-c2c[nH]nc2)nc(Nc2ncccc2)s1,GNTYTRMYRRTNNR,GNTYTRMYRRTNNR-UHFFFAOYSA-N,"InChI=1S/C12H11N5S/c1-8-11(9-6-14-15-7-9)17-12(18-8)16-10-4-2-3-5-13-10/h2-7H,1H3,(H,14,15)(H,13,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,5,8,2,4,12,3,10,13,6,7,11,9,18/E:(6,7)(14,15)/rA:18CCCCCNNCNCNCNCCCCS/rB:s1;d2;s3;d4;s5;s6;s4d7;s3;d9;s10;s11;d12;s13;d14;s15;s12d16;s2s10;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-GOBFMNHCRWYFQZ_on_O00591_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_O14764_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P14867_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P18505_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P18507_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P28472_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P31644_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P34903_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P47869_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P47870_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P48169_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_P78334_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBFMNHCRWYFQZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL88648,CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,GOBFMNHCRWYFQZ,GOBFMNHCRWYFQZ-UHFFFAOYSA-N,"InChI=1S/C19H26S2/c1-5-6-7-8-15-9-11-16(12-10-15)18-20-13-17(14-21-18)19(2,3)4/h9-12,17-18H,5-6,13-14H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,2,3,4,5,7,21,8,20,12,18,6,9,13,10,14,11,19/E:(2,3,4)(9,10)(11,12)(13,14)(20,21)/rA:21CCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;t4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s14;s14;s13;s10s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GOBVHVAFADWXHN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3758795,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1,GOBVHVAFADWXHN,GOBVHVAFADWXHN-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-24-8-7-22-16(24)17(26)23-10-5-6-14(12(20)9-10)25-18(27)11-3-2-4-13(21)15(11)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,4,3,28,10,17,26,21,13,18,6,7,15,19,27,22,5,9,2,14,8,16,20/rA:28CNCCNCCONCCCCNCOCCCOCFCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-GOBVHVAFADWXHN_on_Q14833_WT,High,ChEMBL30,CHEMBL3758795,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1,GOBVHVAFADWXHN,GOBVHVAFADWXHN-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-24-8-7-22-16(24)17(26)23-10-5-6-14(12(20)9-10)25-18(27)11-3-2-4-13(21)15(11)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,4,3,28,10,17,26,21,13,18,6,7,15,19,27,22,5,9,2,14,8,16,20/rA:28CNCCNCCONCCCCNCOCCCOCFCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GOBYERFJMNPSFY_on_P41594_WT,Low,ChEMBL30,CHEMBL1784076,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O,GOBYERFJMNPSFY,GOBYERFJMNPSFY-UHFFFAOYSA-N,"InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-11-12(6-10)26-9-23-11/h1,3-4,6-9H,5H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,20,24,6,13,12,5,7,26,4,10,8,14,21,16,27,23,11/rA:27CCCNCCCNCNSCCNCNCCCCNCSCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;d21;s22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-GOBYERFJMNPSFY_on_Q13255_WT,High,ChEMBL30,CHEMBL1784076,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O,GOBYERFJMNPSFY,GOBYERFJMNPSFY-UHFFFAOYSA-N,"InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-11-12(6-10)26-9-23-11/h1,3-4,6-9H,5H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,20,24,6,13,12,5,7,26,4,10,8,14,21,16,27,23,11/rA:27CCCNCCCNCNSCCNCNCCCCNCSCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;d21;s22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GOCZPCXRIJMRNR_on_O00591_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_O14764_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P14867_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P18505_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P18507_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P28472_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P31644_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P34903_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P47869_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P47870_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P48169_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_P78334_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_Q16445_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOCZPCXRIJMRNR_on_Q99928_WT,Low,ChEMBL30,CHEMBL91701,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1,GOCZPCXRIJMRNR,GOCZPCXRIJMRNR-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-6-7-11-13(8-9)21-15(18-11)19-12-5-3-1-2-4-10(12)17-14(19)20/h6-8,10,12H,1-5H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,5,9,19,20,16,17,4,14,10,15,2,12,18,3,13,11,1,21/rA:21OCNCCCCCCCNCNCCCCFCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-GOFBHAFTRPSQBA_on_P41594_WT,High,ChEMBL30,CHEMBL3736345,CC(C)(C)n1nnc2c1CCC(n1cnc(-c3ccc(F)cc3)n1)C2,GOFBHAFTRPSQBA,GOFBHAFTRPSQBA-UHFFFAOYSA-N,"InChI=1S/C18H21FN6/c1-18(2,3)25-16-9-8-14(10-15(16)21-23-25)24-11-20-17(22-24)12-4-6-13(19)7-5-12/h4-7,11,14H,8-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,23,19,22,11,10,25,14,17,20,12,8,9,16,2,21,15,7,24,6,13,5/E:(1,2,3)(4,5)(6,7)/rA:25CCCCNNNCCCCCNCNCCCCCFCCNC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s13d16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-GOGXBSAXADISSE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3902842,CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)cc1Cl,GOGXBSAXADISSE,GOGXBSAXADISSE-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-4-28-20-6-5-16(13-18(20)23)22-25-21(17-11-14(2)24-15(3)12-17)19-7-9-27-10-8-26(19)22/h5-6,11-13H,4,7-10H2,1-3H3","""AuxInfo=1/0/N:1,14,17,2,6,5,20,24,21,23,12,18,26,13,16,7,11,27,19,4,10,8,28,15,9,25,22,3/E:(2,3)(11,12)(14,15)/rA:28CCOCCCCCNCCCCCNCCCCCCOCCNCCCl/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s8s19s24;s7;s4d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-GOHCTCOGYKAJLZ_on_O00591_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_O14764_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P18505_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P28472_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P31644_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P34903_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P41594_WT,High,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.700;  8.000,7.85,0.15,0.15,2.0,7.85,0.15
-GOHCTCOGYKAJLZ_on_P47869_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P48169_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_P78334_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOHCTCOGYKAJLZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410223,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1,GOHCTCOGYKAJLZ,GOHCTCOGYKAJLZ-UHFFFAOYSA-N,"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,18,27,19,26,5,8,9,13,14,2,7,17,20,4,11,22,12,23,24,25,10,3,16,21/E:(4,5)(6,7)(21,22,23)/rA:27CCNCCCCCCNCClCCCNCCCCOCFFFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-GOIFCXRIFSYPFG_on_P14867_WT,Low,ChEMBL30,CHEMBL4303594,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,GOIFCXRIFSYPFG,GOIFCXRIFSYPFG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3","""AuxInfo=1/0/N:1,28,17,27,29,16,18,24,7,4,26,25,14,19,23,6,13,12,9,15,20,5,3,22,21,10,2,11,8/E:(4,5)(6,7)(13,14)(20,21)/rA:29CNNCNCCOCNNCCCFCCCCFNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403727,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.660,9.66,0.0,0.0,1.0,9.66,0.0
-GOIFCXRIFSYPFG_on_P18507_WT,Low,ChEMBL30,CHEMBL4303594,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,GOIFCXRIFSYPFG,GOIFCXRIFSYPFG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3","""AuxInfo=1/0/N:1,28,17,27,29,16,18,24,7,4,26,25,14,19,23,6,13,12,9,15,20,5,3,22,21,10,2,11,8/E:(4,5)(6,7)(13,14)(20,21)/rA:29CNNCNCCOCNNCCCFCCCCFNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4403730;CHEMBL4403729;CHEMBL4403727,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.640;  9.680;  9.660,9.66,0.016,0.012,3.0,9.66,0.02
-GOIFCXRIFSYPFG_on_P28472_WT,Low,ChEMBL30,CHEMBL4303594,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,GOIFCXRIFSYPFG,GOIFCXRIFSYPFG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3","""AuxInfo=1/0/N:1,28,17,27,29,16,18,24,7,4,26,25,14,19,23,6,13,12,9,15,20,5,3,22,21,10,2,11,8/E:(4,5)(6,7)(13,14)(20,21)/rA:29CNNCNCCOCNNCCCFCCCCFNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4403729;CHEMBL4403727;CHEMBL4403730,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.680;  9.660;  9.640,9.66,0.016,0.012,3.0,9.66,0.02
-GOIFCXRIFSYPFG_on_P31644_WT,Low,ChEMBL30,CHEMBL4303594,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,GOIFCXRIFSYPFG,GOIFCXRIFSYPFG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3","""AuxInfo=1/0/N:1,28,17,27,29,16,18,24,7,4,26,25,14,19,23,6,13,12,9,15,20,5,3,22,21,10,2,11,8/E:(4,5)(6,7)(13,14)(20,21)/rA:29CNNCNCCOCNNCCCFCCCCFNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403730,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.640,9.64,0.0,0.0,1.0,9.64,0.0
-GOIFCXRIFSYPFG_on_P34903_WT,Low,ChEMBL30,CHEMBL4303594,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,GOIFCXRIFSYPFG,GOIFCXRIFSYPFG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3","""AuxInfo=1/0/N:1,28,17,27,29,16,18,24,7,4,26,25,14,19,23,6,13,12,9,15,20,5,3,22,21,10,2,11,8/E:(4,5)(6,7)(13,14)(20,21)/rA:29CNNCNCCOCNNCCCFCCCCFNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403729,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.680,9.68,0.0,0.0,1.0,9.68,0.0
-GOISDWFECBXUAU_on_P18507_WT,Low,ChEMBL30,CHEMBL569477,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(Br)c3)-n2cn1,GOISDWFECBXUAU,GOISDWFECBXUAU-UHFFFAOYSA-N,"InChI=1S/C18H15BrN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-GOISDWFECBXUAU_on_P28472_WT,Low,ChEMBL30,CHEMBL569477,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(Br)c3)-n2cn1,GOISDWFECBXUAU,GOISDWFECBXUAU-UHFFFAOYSA-N,"InChI=1S/C18H15BrN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-GOISDWFECBXUAU_on_P31644_WT,Low,ChEMBL30,CHEMBL569477,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(Br)c3)-n2cn1,GOISDWFECBXUAU,GOISDWFECBXUAU-UHFFFAOYSA-N,"InChI=1S/C18H15BrN4O2/c1-3-25-18(24)17-15-6-11-8-20-10(2)22-16(11)13-7-12(19)4-5-14(13)23(15)9-21-17/h4-5,7-9H,3,6H2,1-2H3","""AuxInfo=1/0/N:1,13,2,19,18,8,22,15,24,12,9,20,16,17,7,10,6,4,21,14,25,11,23,5,3/rA:25CCOCOCCCCCNCCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s20;s16d20;s7s17;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-GOJDHJGOUFNSSC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3973721,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cnc(C)nc2)c3)c(F)c1,GOJDHJGOUFNSSC,GOJDHJGOUFNSSC-UHFFFAOYSA-N,"InChI=1S/C25H23FN4O2/c1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26/h4-7,9-14H,8H2,1-3H3,(H2,27,31)","""AuxInfo=1/1/N:20,26,1,17,4,16,5,21,29,32,8,23,28,19,25,22,18,3,6,15,7,30,14,9,10,31,11,24,27,13,12,2/E:(12,13)(28,29)/rA:32COCCCCCCCCNONCCCCCCCCCCNCCNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s25;s22d27;s14d18;s6;s30;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.220;  8.150,8.185,0.035,0.035,2.0,8.185,0.035
-GOSVVVBNBWUGSP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953282,CC1(C)NC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,GOSVVVBNBWUGSP,GOSVVVBNBWUGSP-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O3/c1-22(2)20(29)27(21(30)26-22)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(24)28)25-17(15)9-12/h3-10H,11H2,1-2H3,(H2,24,28)(H,26,30)","""AuxInfo=1/1/N:1,3,10,15,20,16,19,11,28,21,8,9,14,17,12,13,27,22,23,29,5,2,18,24,26,4,7,25,30,6/E:(1,2)(4,5)(6,7)/rA:30CCCNCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s2s7;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-GOUWEKQNTSGAGA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11473392;CHEMBL208163,Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1,GOUWEKQNTSGAGA,GOUWEKQNTSGAGA-UHFFFAOYSA-N,InChI=1S/C15H10BrN3S/c16-11-4-3-5-12(10-11)20-14-7-9-18-15(19-14)13-6-1-2-8-17-13/h1-10H,"""AuxInfo=1/0/N:15,16,4,3,5,14,9,17,10,20,2,6,13,8,12,1,18,11,19,7/rA:20BrCCCCCSCCCNCCCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263826;CHEMBL865700,PMID:16481165,2006.0,PubChemAID:263826;PMID:16481165,2010;2006,0;1,0,0,0,1;0,,=,  5.544;  5.540,5.542000000000001,0.002,0.002,2.0,5.542000000000001,0.002
-GOYJLRKZEAXDRY_on_Q13255_WT,High,ChEMBL30,CHEMBL238077,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1[nH]cc3)s2,GOYJLRKZEAXDRY,GOYJLRKZEAXDRY-UHFFFAOYSA-N,"InChI=1S/C17H9ClN4OS/c18-10-1-3-11(4-2-10)22-8-21-14-12-13-9(5-6-19-13)7-20-16(12)24-15(14)17(22)23/h1-8,19H","""AuxInfo=1/0/N:10,13,9,14,23,22,18,6,19,11,8,15,20,4,3,16,2,12,21,17,5,7,1,24/E:(1,2)(3,4)/rA:24OCCCNCNCCCCClCCCCNCCCNCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s19d22;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-GOYOLHWWQMGLGG_on_Q14416_WT,High,ChEMBL30,CHEMBL3421838,Cc1nccc(-c2c3C(=O)N(c4ccc(C(F)(F)F)cc4)CC(C)n3nc2)c1,GOYOLHWWQMGLGG,GOYOLHWWQMGLGG-UHFFFAOYSA-N,"InChI=1S/C20H17F3N4O/c1-12-9-14(7-8-24-12)17-10-25-27-13(2)11-26(19(28)18(17)27)16-5-3-15(4-6-16)20(21,22)23/h3-10,13H,11H2,1-2H3","""AuxInfo=1/0/N:1,24,14,20,13,21,5,4,28,27,22,2,23,6,15,12,7,8,9,16,17,18,19,3,26,11,25,10/E:(3,4)(5,6)(21,22,23)/rA:28CCNCCCCCCONCCCCCFFFCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s16;s15;s12d20;s11;s22;s23;s8s23;s25;s7d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3424504,PMID:25699154,2015.0,PMID:25699154,2015,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-GOYQBFPXDHZGGN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628106,Cc1cc(C)c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,GOYQBFPXDHZGGN,GOYQBFPXDHZGGN-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-9-12(2)28-18(11)19(25)23-13-7-8-17(16(22)10-13)24-20(26)14-5-3-4-6-15(14)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:5,1,20,21,19,22,11,12,3,27,4,2,10,18,17,25,13,6,7,23,15,26,9,14,8,24,16,28/E:(3,4)(5,6)(14,15)(20,21)(26,27)/rA:28CCCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;d2;s3;s4;d4;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-GOYWCJLRVTYWSD_on_P41594_WT,Low,ChEMBL30,CHEMBL594780,O=C(c1ncc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1,GOYWCJLRVTYWSD,GOYWCJLRVTYWSD-UHFFFAOYSA-N,"InChI=1S/C16H17ClN4O/c17-12-4-6-13(7-5-12)20-15-11-18-14(10-19-15)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,19,20)","""AuxInfo=1/1/N:20,19,21,10,13,9,14,18,22,16,5,11,8,3,6,2,12,4,15,7,17,1/E:(2,3)(4,5)(6,7)(8,9)/rA:22OCCNCCNCCCCClCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GOZOOQBAFUIOQS_on_P41594_WT,High,ChEMBL30,CHEMBL1682807,Cn1cnc2c1ncc(C#Cc1ccccc1)c2,GOZOOQBAFUIOQS,GOZOOQBAFUIOQS-UHFFFAOYSA-N,"InChI=1S/C15H11N3/c1-18-11-17-14-9-13(10-16-15(14)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,18,8,3,12,9,5,6,7,4,2/E:(3,4)(5,6)/rA:18CNCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.760;  7.760,7.76,0.0,0.0,2.0,7.76,0.0
-GPAJUPZSYHOYEW_on_P41594_WT,High,ChEMBL30,CHEMBL460391,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccc(F)c3)nn2)CC1,GPAJUPZSYHOYEW,GPAJUPZSYHOYEW-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-9-7-13(8-10-22)16-12-23(21-20-16)15-6-4-5-14(19)11-15/h4-7,11-12H,8-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,10,24,9,25,21,13,11,19,15,12,6,2,20,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCCCCCFCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GPAJUPZSYHOYEW_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL460391;44588386,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccc(F)c3)nn2)CC1,GPAJUPZSYHOYEW,GPAJUPZSYHOYEW-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-9-7-13(8-10-22)16-12-23(21-20-16)15-6-4-5-14(19)11-15/h4-7,11-12H,8-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,10,24,9,25,21,13,11,19,15,12,6,2,20,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCCCCCFCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406;PubChemAID:389921,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389921,2008;2010,1;0,0,0,0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-GPCVUHGDQJVKPL_on_O00591_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_O14764_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P14867_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P18505_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P18507_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P28472_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P31644_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P34903_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P47869_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P47870_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P48169_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_P78334_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_Q16445_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPCVUHGDQJVKPL_on_Q99928_WT,Low,ChEMBL30,CHEMBL442400,CCN(C)C1CCCc2c1cncc2,GPCVUHGDQJVKPL,GPCVUHGDQJVKPL-UHFFFAOYSA-N,"InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,4,2,7,8,6,14,13,11,9,10,5,12,3/rA:14CCNCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s5d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL652509,PMID:15203136,2004.0,PMID:15203136,2004,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GPDNEVUANYHYCZ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1096317,CCCCCCC1CN(c2c(OC)cccc2)C(=O)O1,GPDNEVUANYHYCZ,GPDNEVUANYHYCZ-UHFFFAOYSA-N,"InChI=1S/C16H23NO3/c1-3-4-5-6-9-13-12-17(16(18)20-13)14-10-7-8-11-15(14)19-2/h7-8,10-11,13H,3-6,9,12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,3,4,5,16,15,6,17,14,8,7,10,11,18,9,19,12,20/rA:20CCCCCCCCNCCOCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s11;d14;s15;s10d16;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-GPDXZSAUHCBZLB_on_O15303_WT,High,ChEMBL30,CHEMBL584345,CCOC(=O)c1c(N=NC#N)sc(-c2ccccc2)c1C,GPDXZSAUHCBZLB,GPDXZSAUHCBZLB-UHFFFAOYSA-N,"InChI=1S/C15H13N3O2S/c1-3-20-15(19)12-10(2)13(11-7-5-4-6-8-11)21-14(12)18-17-9-16/h4-8H,3H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,16,18,15,19,10,20,14,6,13,7,4,11,9,8,5,3,12/E:(5,6)(7,8)/rA:21CCOCOCCNNCNSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;w?8;s9;t10;s7;s12;s13;d14;s15;d16;s17;s14d18;s6d13;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-GPICUDNHJVPIGQ_on_P41594_WT,High,ChEMBL30,CHEMBL3902020,CC(C)(C)c1c2c(CCC(F)(F)F)c(C#N)c(-c3ccccc3)nc2n[nH]1,GPICUDNHJVPIGQ,GPICUDNHJVPIGQ-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4/c1-19(2,3)17-15-13(9-10-20(21,22)23)14(11-24)16(25-18(15)27-26-17)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,25,26,27)","""AuxInfo=1/1/N:1,3,4,21,20,22,19,23,8,9,15,18,7,14,6,17,5,25,2,10,11,12,13,16,24,27,26/E:(1,2,3)(5,6)(7,8)(21,22,23)/rA:27CCCCCCCCCCFFFCCNCCCCCCCNCNN/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s10;s10;d7;s14;t15;s14;s17;d18;s19;d20;s21;s18d22;d17;s6s24;d25;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-GPLFEBNKOBGXJZ_on_Q14416_WT,High,ChEMBL30,CHEMBL187959,CCCc1c(OCCCCNc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,GPLFEBNKOBGXJZ,GPLFEBNKOBGXJZ-UHFFFAOYSA-N,"InChI=1S/C22H27N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-23-17-9-7-16(8-10-17)22-24-26-27-25-22/h7-12,23,29H,3-6,13-14H2,1-2H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,27,2,9,8,3,14,21,13,22,24,23,10,7,26,15,12,25,4,5,29,16,11,17,20,18,19,28,30,6/E:(7,8)(9,10)(24,25)(26,27)/rA:30CCCCCOCCCCNCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s16d19;s15;s12d21;s5;d23;s24;s25;s26;d26;s4d25;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-GPMGDUIAVSFGGH_on_O15399_WT,Low,ChEMBL30,CHEMBL3938522,N#CC1CC1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,GPMGDUIAVSFGGH,GPMGDUIAVSFGGH-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,8,24,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCClCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3871172,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-GPMGDUIAVSFGGH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3938522,N#CC1CC1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,GPMGDUIAVSFGGH,GPMGDUIAVSFGGH-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,8,24,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCClCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871172;CHEMBL3871167;CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.020;  5.330;  7.430,5.9270000000000005,1.071,0.757,3.0,5.33,0.31
-GPMGDUIAVSFGGH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3938522,N#CC1CC1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,GPMGDUIAVSFGGH,GPMGDUIAVSFGGH-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,8,24,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCClCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GPMGDUIAVSFGGH_on_Q14957_WT,Low,ChEMBL30,CHEMBL3938522,N#CC1CC1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,GPMGDUIAVSFGGH,GPMGDUIAVSFGGH-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2","""AuxInfo=1/0/N:9,10,4,25,22,2,14,3,13,5,7,17,23,11,26,6,18,8,24,19,20,21,1,12,16,15,28,27/E:(20,21,22)/rA:28NCCCCCCClCCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;d13;s25;d26;s6s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3871167,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-GPOQREFLGKKRIR_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029796;25004352,CC(C)CCn1ccc(-c2cc(Cl)c(OC3CCOCC3)cc2)c(C#N)c1=O,GPOQREFLGKKRIR,GPOQREFLGKKRIR-UHFFFAOYSA-N,"InChI=1S/C22H25ClN2O3/c1-15(2)5-9-25-10-6-18(19(14-24)22(25)26)16-3-4-21(20(23)13-16)28-17-7-11-27-12-8-17/h3-4,6,10,13,15,17H,5,7-9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,4,8,17,21,5,7,18,20,11,25,2,10,16,9,24,12,14,27,13,26,6,28,19,15/E:(1,2)(7,8)(11,12)/rA:28CCCCCNCCCCCCClCOCCCOCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s17;s18;s19;s16s20;s14;s10d22;d9;s24;t25;s6s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  6.730;  6.730,6.73,0.0,0.0,2.0,6.73,0.0
-GPQUXPLMBDBMDW_on_O00591_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_O14764_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P14867_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P18505_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P18507_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P28472_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P31644_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P34903_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P47869_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P47870_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P48169_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_P78334_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_Q16445_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPQUXPLMBDBMDW_on_Q99928_WT,Low,ChEMBL30,CHEMBL69336,Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2,GPQUXPLMBDBMDW,GPQUXPLMBDBMDW-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-15-9-5-3-7-12(15)17-18(21)16-11-6-2-4-8-13(11)20-14(16)10-19-17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,13,17,4,16,12,3,11,9,10,14,15,2/rA:21CNCCCCCCCCCCCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s12;s15;s11d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GPTKIASBZUGFEQ_on_P18507_WT,Low,ChEMBL30,CHEMBL211293,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F,GPTKIASBZUGFEQ,GPTKIASBZUGFEQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,26,29,14,19,15,18,22,7,4,13,16,25,30,23,6,24,12,9,17,31,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCFCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-GPTKIASBZUGFEQ_on_P28472_WT,Low,ChEMBL30,CHEMBL211293,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F,GPTKIASBZUGFEQ,GPTKIASBZUGFEQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,26,29,14,19,15,18,22,7,4,13,16,25,30,23,6,24,12,9,17,31,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCFCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-GPTKIASBZUGFEQ_on_P34903_WT,Low,ChEMBL30,CHEMBL211293,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F,GPTKIASBZUGFEQ,GPTKIASBZUGFEQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,26,29,14,19,15,18,22,7,4,13,16,25,30,23,6,24,12,9,17,31,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCFCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-GPVMOHOROTWYHX_on_P31644_WT,High,ChEMBL30,CHEMBL3681598,CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccc2)nc1,GPVMOHOROTWYHX,GPVMOHOROTWYHX-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-13(2)21-19(23)15-8-9-17(20-10-15)24-11-16-12-25-22-18(16)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,3,21,20,22,19,23,8,9,25,12,14,2,18,7,13,10,17,5,24,4,16,6,11,15/E:(1,2)(4,5)(6,7)/rA:25CCCNCOCCCCOCCCONCCCCCCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s18d22;s10;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-GPVPJZVWVWATKU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684116,O=C1NCCc2c1ccc(C#Cc1ccccc1Cl)c2,GPVPJZVWVWATKU,GPVPJZVWVWATKU-UHFFFAOYSA-N,"InChI=1S/C17H12ClNO/c18-16-4-2-1-3-13(16)7-5-12-6-8-15-14(11-12)9-10-19-17(15)20/h1-4,6,8,11H,9-10H2,(H,19,20)","""AuxInfo=1/1/N:15,16,14,17,11,9,12,8,5,4,20,10,13,6,7,18,2,19,3,1/rA:20OCNCCCCCCCCCCCCCCCClC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.430,5.43,0.0,0.0,1.0,5.43,0.0
-GPVVRPMOSQNFDF_on_P18507_WT,Low,ChEMBL30,CHEMBL1078473,Cn1nccc1-c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,GPVVRPMOSQNFDF,GPVVRPMOSQNFDF-UHFFFAOYSA-N,"InChI=1S/C16H12BrN7/c1-22-13(4-5-20-22)15-14-7-24-16(18-8-21-24)11-6-10(17)2-3-12(11)23(14)9-19-15/h2-6,8-9H,7H2,1H3","""AuxInfo=1/0/N:1,18,17,5,4,21,9,12,23,19,15,16,6,8,7,14,20,13,24,3,11,2,22,10/rA:24CNNCCCCCCNNCNCCCCCCBrCNCN/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-GPVVRPMOSQNFDF_on_P28472_WT,Low,ChEMBL30,CHEMBL1078473,Cn1nccc1-c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,GPVVRPMOSQNFDF,GPVVRPMOSQNFDF-UHFFFAOYSA-N,"InChI=1S/C16H12BrN7/c1-22-13(4-5-20-22)15-14-7-24-16(18-8-21-24)11-6-10(17)2-3-12(11)23(14)9-19-15/h2-6,8-9H,7H2,1H3","""AuxInfo=1/0/N:1,18,17,5,4,21,9,12,23,19,15,16,6,8,7,14,20,13,24,3,11,2,22,10/rA:24CNNCCCCCCNNCNCCCCCCBrCNCN/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-GPVVRPMOSQNFDF_on_P31644_WT,Low,ChEMBL30,CHEMBL1078473,Cn1nccc1-c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,GPVVRPMOSQNFDF,GPVVRPMOSQNFDF-UHFFFAOYSA-N,"InChI=1S/C16H12BrN7/c1-22-13(4-5-20-22)15-14-7-24-16(18-8-21-24)11-6-10(17)2-3-12(11)23(14)9-19-15/h2-6,8-9H,7H2,1H3","""AuxInfo=1/0/N:1,18,17,5,4,21,9,12,23,19,15,16,6,8,7,14,20,13,24,3,11,2,22,10/rA:24CNNCCCCCCNNCNCCCCCCBrCNCN/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-GPZNPXAPAFLRLB_on_Q13224_WT,High,ChEMBL30,CHEMBL3975087,FC(F)c1cc(-c2cn(Cc3n[nH]cc3)nc2)ccc1Cl,GPZNPXAPAFLRLB,GPZNPXAPAFLRLB-UHFFFAOYSA-N,"InChI=1S/C14H11ClF2N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)","""AuxInfo=1/1/N:18,19,15,14,5,17,8,10,6,7,11,4,20,2,21,1,3,13,16,12,9/E:(16,17)/rA:21FCFCCCCCNCCNNCCNCCCCCl/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;s9;s7d16;d6;s18;s4d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-GQFPQYXMYKXLEO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3914040,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cccnc2C(F)(F)F)c3)cn1,GQFPQYXMYKXLEO,GQFPQYXMYKXLEO-UHFFFAOYSA-N,"InChI=1S/C21H16F3N5O/c1-29-11-14(10-27-29)16-9-18(20(25)30)28-17-8-12(4-5-15(16)17)7-13-3-2-6-26-19(13)21(22,23)24/h2-6,8-11H,7H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,20,19,15,14,21,17,28,6,29,3,16,18,4,13,5,12,7,23,8,24,25,26,27,9,22,30,11,2,10/E:(22,23,24)/rA:30CNCCCCCCNONCCCCCCCCCCNCCFFFCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s23;s24;s24;s24;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-GQIVRYNNTCEOBX_on_P14867_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-GQIVRYNNTCEOBX_on_P18507_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058332;CHEMBL3058328;CHEMBL3058330;CHEMBL3058327;CHEMBL3058329;CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.150;  8.000;  7.280;  6.600;  7.290;  7.260,7.43,0.517,0.231,6.0,7.285,0.355
-GQIVRYNNTCEOBX_on_P28472_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058327;CHEMBL3058331;CHEMBL3058332;CHEMBL3058330;CHEMBL3058329;CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.600;  7.260;  8.150;  7.280;  7.290;  8.000,7.43,0.517,0.231,6.0,7.285,0.355
-GQIVRYNNTCEOBX_on_P31644_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GQIVRYNNTCEOBX_on_P34903_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-GQIVRYNNTCEOBX_on_P47869_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-GQIVRYNNTCEOBX_on_P48169_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-GQIVRYNNTCEOBX_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261631,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,GQIVRYNNTCEOBX,GQIVRYNNTCEOBX-UHFFFAOYSA-N,"InChI=1S/C21H16F3N3O4/c22-21(23,24)10-31-20(29)17-18-15-3-1-7-26(15)19(28)13-9-12(16-4-2-8-30-16)5-6-14(13)27(18)11-25-17/h2,4-6,8-9,11,15H,1,3,7,10H2","""AuxInfo=1/0/N:13,25,12,24,21,20,14,26,28,4,30,22,18,19,11,23,9,10,16,2,5,6,7,8,31,15,29,17,1,27,3/E:(22,23,24)/rA:31OCOCCFFFCCCCCCNCOCCCCCCCCCOCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s23s26;s18d22;s10s19;s29;s9d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GQJOBSNTOPWEFE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3957805,CC(C)N1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C,GQJOBSNTOPWEFE,GQJOBSNTOPWEFE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-15(2)24-19(25)23(14-20(24,3)4)18-21-12-17(13-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-13,15H,14H2,1-4H3","""AuxInfo=1/0/N:1,3,24,25,17,16,18,15,19,13,12,10,20,22,2,14,11,8,5,23,9,21,7,4,6/E:(1,2)(3,4)(6,7)(8,9)(12,13)(21,22)/rA:25CCCNCONCNCCCCCCCCCCCNCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;s4s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-GQRITWHPIDXXRS_on_P41594_WT,High,ChEMBL30,CHEMBL199047,Cc1cccc(Nc2c(OC(C)C)cccn2)n1,GQRITWHPIDXXRS,GQRITWHPIDXXRS-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c1-10(2)18-12-7-5-9-15-14(12)17-13-8-4-6-11(3)16-13/h4-10H,1-3H3,(H,15,16,17)","""AuxInfo=1/1/N:12,13,1,4,15,3,14,5,16,11,2,9,6,8,17,18,7,10/E:(1,2)/rA:18CCCCCCNCCOCCCCCCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;s11;s9;d14;s15;s8d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GQRLDCRWANUDSO_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53322767;CHEMBL1672257,COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc21,GQRLDCRWANUDSO,GQRLDCRWANUDSO-UHFFFAOYSA-N,"InChI=1S/C22H17N3O3/c1-28-20-8-3-2-6-17(20)22(27)25-13-11-15-14-16(9-10-19(15)25)24-21(26)18-7-4-5-12-23-18/h2-14H,1H3,(H,24,26)","""AuxInfo=1/1/N:1,6,5,22,23,7,21,4,26,27,13,24,12,15,14,16,8,20,28,3,18,9,25,17,11,19,10,2/rA:28COCCCCCCCONCCCCCNCOCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;d16;s26;s11s14d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  5.851;  5.850,5.851,0.001,0.001,2.0,5.851,0.001
-GQWFYMINZLCNMM_on_O00591_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_O14764_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P14867_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P18505_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P18507_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P28472_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P31644_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P34903_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P47869_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P47870_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P48169_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_P78334_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_Q16445_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWFYMINZLCNMM_on_Q99928_WT,Low,ChEMBL30,CHEMBL294170,C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,GQWFYMINZLCNMM,GQWFYMINZLCNMM-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h4-8H,1,9H2,2-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:d1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-GQWHBTWXIOOKRT_on_Q14416_WT,High,ChEMBL30,CHEMBL3890848,CCCc1c(OCc2cccc(Oc3nccc(C(=O)O)c3)c2)ccc(C(C)=O)c1O,GQWHBTWXIOOKRT,GQWHBTWXIOOKRT-UHFFFAOYSA-N,"InChI=1S/C24H23NO6/c1-3-5-20-21(9-8-19(15(2)26)23(20)27)30-14-16-6-4-7-18(12-16)31-22-13-17(24(28)29)10-11-25-22/h4,6-13,27H,3,5,14H2,1-2H3,(H,28,29)","""AuxInfo=1/1/N:1,28,2,10,3,9,11,25,24,17,16,23,22,7,27,8,18,12,26,4,5,14,30,19,15,29,31,20,21,6,13/E:(28,29)/rA:31CCCCCOCCCCCCOCNCCCCOOCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s18;d19;s19;s14d18;s8d12;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-GQWRVXBZTABPHJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL185946,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-n2ccc3c2cncc3)c1,GQWRVXBZTABPHJ,GQWRVXBZTABPHJ-UHFFFAOYSA-N,InChI=1S/C19H12FN7/c20-14-9-15(26-8-5-13-4-7-21-12-18(13)26)11-16(10-14)27-24-19(23-25-27)17-3-1-2-6-22-17/h1-12H,"""AuxInfo=1/0/N:13,12,14,26,20,11,25,19,27,3,16,23,21,2,17,4,9,22,8,1,24,10,7,15,6,18,5/rA:27FCCCNNNCCNCCCCNCCNCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;s18;d19;s20;s18d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-GQXARJIERBZYNS_on_P41594_WT,High,ChEMBL30,CHEMBL2346730,Cc1nc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(C)n2)ccc1,GQXARJIERBZYNS,GQXARJIERBZYNS-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)","""AuxInfo=1/1/N:1,10,20,23,24,22,14,17,13,18,2,9,19,15,12,4,8,6,16,3,21,5,11,7/E:(7,8)(9,10)/rA:24CCNCNCOCCCNCCCCClCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s8d19;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-GQXSRHIFUJLCSW_on_O00591_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_O14764_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P14867_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P18505_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P18507_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P28472_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P31644_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P34903_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P47869_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P47870_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P48169_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_P78334_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_Q16445_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQXSRHIFUJLCSW_on_Q99928_WT,Low,ChEMBL30,CHEMBL55295,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2,GQXSRHIFUJLCSW,GQXSRHIFUJLCSW-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-GQYXWCURKTXXOR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111659,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)ccn1,GQYXWCURKTXXOR,GQYXWCURKTXXOR-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-15(5-7-27-13)20-18-6-8-30-14(2)12-29(18)21(28-20)16-3-4-19(17(10-16)11-23)31-22(24,25)26/h3-5,7,9-10,14H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,29,7,30,8,3,27,25,12,2,10,4,15,24,6,18,5,14,20,26,21,22,23,31,28,13,9,19/E:(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s25;s15d24;s5d14;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-GRCRIBYJRCZIOY_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787366,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(nccc4)C3=O)cc2)occ1,GRCRIBYJRCZIOY,GRCRIBYJRCZIOY-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3O3/c1-11-6-8-26-17(11)18(24)22-13-4-5-15(14(20)9-13)23-10-12-3-2-7-21-16(12)19(23)25/h2-9H,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,23,22,26,17,25,8,13,2,14,7,9,11,15,3,4,20,10,16,6,12,5,21,24/rA:26CCCCONCCCClCNCCCNCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-GRHKWMYCLAXLQX_on_Q14833_WT,High,ChEMBL30,CHEMBL1223164,CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1,GRHKWMYCLAXLQX,GRHKWMYCLAXLQX-UHFFFAOYSA-N,"InChI=1S/C18H21N3O3S/c1-14-9-12-21(13-10-14)25(23,24)16-7-5-15(6-8-16)20-18(22)17-4-2-3-11-19-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,19,17,11,22,10,23,3,25,20,4,24,2,12,9,16,14,21,13,5,15,7,8,6/E:(5,6)(7,8)(9,10)(12,13)(23,24)/CRV:25.6/rA:25CCCCNSOOCCCCNCOCCCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;d9;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s9d22;s5;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-GRHSJPRDKRVXDK_on_P14867_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-GRHSJPRDKRVXDK_on_P18507_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111450;CHEMBL1111451;CHEMBL1111448;CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.980;  7.140;  9.220;  6.730,7.518,0.9940000000000001,0.574,4.0,7.06,0.205
-GRHSJPRDKRVXDK_on_P28472_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111449;CHEMBL1111450;CHEMBL1111451;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.730;  6.980;  7.140;  9.220,7.518,0.9940000000000001,0.574,4.0,7.06,0.205
-GRHSJPRDKRVXDK_on_P31644_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-GRHSJPRDKRVXDK_on_P34903_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-GRHSJPRDKRVXDK_on_P47869_WT,Low,ChEMBL30,CHEMBL1080576,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1,GRHSJPRDKRVXDK,GRHSJPRDKRVXDK-UHFFFAOYSA-N,"InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCBrCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-GRLFHZWPVDZZAC_on_P14867_WT,Low,ChEMBL30,CHEMBL1814293,COc1ccc(-c2c(O)ccc(CCO)c2)cc1CCO,GRLFHZWPVDZZAC,GRLFHZWPVDZZAC-UHFFFAOYSA-N,"InChI=1S/C17H20O4/c1-21-17-5-3-13(11-14(17)7-9-19)15-10-12(6-8-18)2-4-16(15)20/h2-5,10-11,18-20H,6-9H2,1H3","""AuxInfo=1/0/N:1,11,5,10,4,13,19,14,20,16,17,12,6,18,7,8,3,15,21,9,2/rA:21COCCCCCCOCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s7d12;s6;s3d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  3.977,3.977,0.0,0.0,1.0,3.977,0.0
-GRLFHZWPVDZZAC_on_P47870_WT,Low,ChEMBL30,CHEMBL1814293,COc1ccc(-c2c(O)ccc(CCO)c2)cc1CCO,GRLFHZWPVDZZAC,GRLFHZWPVDZZAC-UHFFFAOYSA-N,"InChI=1S/C17H20O4/c1-21-17-5-3-13(11-14(17)7-9-19)15-10-12(6-8-18)2-4-16(15)20/h2-5,10-11,18-20H,6-9H2,1H3","""AuxInfo=1/0/N:1,11,5,10,4,13,19,14,20,16,17,12,6,18,7,8,3,15,21,9,2/rA:21COCCCCCCOCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s7d12;s6;s3d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  3.977,3.977,0.0,0.0,1.0,3.977,0.0
-GRTPVLUWVUWRRC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL224673;11501465,CCc1ccc(-n2c(C)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,GRTPVLUWVUWRRC,GRTPVLUWVUWRRC-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-5-13-6-8-14(9-7-13)24-12(2)22-17-16-15(23(3)4)10-11-21-19(16)26-18(17)20(24)25/h6-11H,5H2,1-4H3","""AuxInfo=1/0/N:1,9,18,19,2,4,26,5,25,20,21,8,3,6,16,15,11,12,14,23,22,10,17,7,24,13/E:(3,4)(6,7)(8,9)/rA:26CCCCCCNCCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s7s12;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420;PubChemAID:282966,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282966,2005;2010,1;0,0,0,0,0;1,,=,  6.460;  6.463,6.462000000000001,0.002,0.002,2.0,6.462000000000001,0.002
-GRTPVLUWVUWRRC_on_Q13255_WT,High,ChEMBL30,CHEMBL224673,CCc1ccc(-n2c(C)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,GRTPVLUWVUWRRC,GRTPVLUWVUWRRC-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-5-13-6-8-14(9-7-13)24-12(2)22-17-16-15(23(3)4)10-11-21-19(16)26-18(17)20(24)25/h6-11H,5H2,1-4H3","""AuxInfo=1/0/N:1,9,18,19,2,4,26,5,25,20,21,8,3,6,16,15,11,12,14,23,22,10,17,7,24,13/E:(3,4)(6,7)(8,9)/rA:26CCCCCCNCCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s7s12;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-GRUPMMBRLDBTDD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,11535913;CHEMBL201943;CHEMBL201943,Cc1nc(C#Cc2cccc(C#N)c2)cs1,GRUPMMBRLDBTDD,GRUPMMBRLDBTDD-UHFFFAOYSA-N,"InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,14,12,15,2,7,11,4,13,3,16/rA:16CCNCCCCCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;t12;s7d11;d4;s2s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259884;CHEMBL862887;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259884;PMID:16451073;PMID:16451073,2010;2006;2006,0;0;1,0,0,0;1;0,1;0;0,,=,  9.432;  9.430;  9.030,9.297,0.18899999999999997,0.134,3.0,9.43,0.002
-GRXBQBZQNCYJFJ_on_Q14416_WT,High,ChEMBL30,CHEMBL185911,CCCC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1,GRXBQBZQNCYJFJ,GRXBQBZQNCYJFJ-UHFFFAOYSA-N,"InChI=1S/C22H26N4O4/c1-3-6-19(27)18-11-12-20(15(2)21(18)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,10,2,15,14,3,20,27,19,28,30,29,16,13,9,21,18,6,4,11,7,22,23,26,24,25,5,8,17,12/E:(7,8)(9,10)(23,24)(25,26)/rA:30CCCCOCCOCCCOCCCCOCCCCCNNNNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d9;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;d22;s23;s24;s22d25;s21;s18d27;s11;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-GSBKIGNHMRALSX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909878,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(F)c3)n2)cc(C)n1,GSBKIGNHMRALSX,GSBKIGNHMRALSX-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-12-9-15(10-13(2)25-12)19-17-5-7-28-8-6-27(17)20(26-19)14-3-4-18(16(22)11-14)29-21(23)24/h3-4,9-11,21H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,22,6,17,5,13,19,23,20,21,29,25,12,9,18/E:(1,2)(9,10)(12,13)(23,24)/rA:29CCCCCCCCOCCNCCCCCOCFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-GSFNZBZGEPOYGN_on_Q13255_WT,High,ChEMBL30,CHEMBL2418363,O=C(N1CC2CCCC(C2)C1)N1CC2CN(c3ccccn3)CC2C1,GSFNZBZGEPOYGN,GSFNZBZGEPOYGN-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c25-20(23-9-15-4-3-5-16(8-15)10-23)24-13-17-11-22(12-18(17)14-24)19-6-1-2-7-21-19/h1-2,6-7,15-18H,3-5,8-14H2","""AuxInfo=1/0/N:19,20,7,6,8,18,21,10,4,11,15,23,13,25,5,9,14,24,17,2,22,16,3,12,1/E:(4,5)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:25OCNCCCCCCCCNCCCNCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s14s23;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  5.720;  5.720,5.72,0.0,0.0,2.0,5.72,0.0
-GSGDLBUOSWGZER_on_Q13255_WT,High,ChEMBL30,CHEMBL521982,O=C(Nc1nc(C(F)(F)F)co1)C1c2ccccc2Oc2c1cccc2,GSGDLBUOSWGZER,GSGDLBUOSWGZER-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)","""AuxInfo=1/1/N:16,24,17,25,15,23,18,26,11,14,22,19,21,6,13,2,4,7,8,9,10,5,3,1,12,20/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(19,20,21)/rA:26OCNCNCCFFFCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s4s11;s2;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803184;CHEMBL3804560;CHEMBL3804561;CHEMBL3803184,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  6.610;  6.850;  6.850;  6.610,6.73,0.12,0.069,4.0,6.73,0.12
-GSHWEUJOJVEWFY_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3973444,Clc1cccc(Nc2c[nH]c3cccnc23)c1,GSHWEUJOJVEWFY,GSHWEUJOJVEWFY-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3/c14-9-3-1-4-10(7-9)17-12-8-16-11-5-2-6-15-13(11)12/h1-8,16-17H","""AuxInfo=1/0/N:4,13,3,5,12,14,17,9,2,6,11,8,16,1,15,10,7/rA:17ClCCCCCNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-GSIYTXVGPWMLGW_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797850,CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12,GSIYTXVGPWMLGW,GSIYTXVGPWMLGW-UHFFFAOYSA-N,"InChI=1S/C17H16FN3O3S/c1-3-19-16(23)15-10(2)25-17-20-12(8-14(22)21(15)17)9-24-13-6-4-11(18)5-7-13/h4-8H,3,9H2,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,8,2,17,20,16,21,22,13,7,18,12,15,23,6,4,10,19,3,11,25,24,5,14,9/E:(4,5)(6,7)/rA:25CCNCOCCCSCNCCOCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-GSIYTXVGPWMLGW_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797850,CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12,GSIYTXVGPWMLGW,GSIYTXVGPWMLGW-UHFFFAOYSA-N,"InChI=1S/C17H16FN3O3S/c1-3-19-16(23)15-10(2)25-17-20-12(8-14(22)21(15)17)9-24-13-6-4-11(18)5-7-13/h4-8H,3,9H2,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,8,2,17,20,16,21,22,13,7,18,12,15,23,6,4,10,19,3,11,25,24,5,14,9/E:(4,5)(6,7)/rA:25CCNCOCCCSCNCCOCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-GSJOCESXZQRMTF_on_P41594_WT,High,ChEMBL30,CHEMBL401982,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1,GSJOCESXZQRMTF,GSJOCESXZQRMTF-UHFFFAOYSA-N,"InChI=1S/C18H10F6N2/c1-11-9-26-10-14(18(22,23)24)8-16(26)15(25-11)6-5-12-3-2-4-13(7-12)17(19,20)21/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,24,25,23,15,14,17,11,3,5,2,16,18,6,13,12,19,7,20,21,22,8,9,10,26,4/E:(19,20,21)(22,23,24)/rA:26CCCNCCCFFFCCCCCCCCCFFFCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;s19;s19;s19;d18;s23;s16d24;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-GSJSXDQXHDAYLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-GSJSXDQXHDAYLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720;  7.280;  7.080;  8.590,7.417000000000001,0.706,0.408,4.0,7.18,0.28
-GSJSXDQXHDAYLZ_on_P28472_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.590;  6.720;  7.080;  7.280,7.417000000000001,0.706,0.408,4.0,7.18,0.28
-GSJSXDQXHDAYLZ_on_P31644_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-GSJSXDQXHDAYLZ_on_P34903_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-GSJSXDQXHDAYLZ_on_P47869_WT,Low,ChEMBL30,CHEMBL179509,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,GSJSXDQXHDAYLZ,GSJSXDQXHDAYLZ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-19-8-4-5-9-20(19)15-31-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-6-2-1-3-7-18/h1-9,16-17H,10-13,15H2","""AuxInfo=1/0/N:14,13,15,30,29,12,16,31,28,24,26,23,27,2,5,25,22,11,3,4,20,21,10,19,7,1,17,18,8,9,6/E:(2,3)(6,7)(10,11)(12,13)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-GSLGKPKTSLSPRL_on_P41594_WT,Low,ChEMBL30,CHEMBL3655616,O=C(Nc1ccnc(Oc2cncnc2)c1)c1cc(Cl)ccc1,GSLGKPKTSLSPRL,GSLGKPKTSLSPRL-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-3-1-2-11(6-12)16(22)21-13-4-5-20-15(7-13)23-14-8-18-10-19-9-14/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,23,21,5,6,18,16,11,15,13,17,19,4,10,8,2,20,12,14,7,3,1,9/E:(8,9)(18,19)/rA:23OCNCCCNCOCCNCNCCCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GSNCQRDETZIWAE_on_O00591_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_O14764_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P14867_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P18505_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P18507_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P28472_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P31644_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P34903_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P47869_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P47870_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P48169_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_P78334_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_Q16445_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNCQRDETZIWAE_on_Q99928_WT,Low,ChEMBL30,CHEMBL93825,COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1,GSNCQRDETZIWAE,GSNCQRDETZIWAE-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,20,18,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-GSNVRZDAVSOMIL_on_P31644_WT,High,ChEMBL30,CHEMBL3686278,NC(=O)c1ccc(C(OCc2conc2-c2ccc(F)cn2)C(F)(F)F)nc1,GSNVRZDAVSOMIL,GSNVRZDAVSOMIL-UHFFFAOYSA-N,"InChI=1S/C17H12F4N4O3/c18-11-2-4-12(24-6-11)14-10(8-28-25-14)7-27-15(17(19,20)21)13-3-1-9(5-23-13)16(22)26/h1-6,8,15H,7H2,(H2,22,26)","""AuxInfo=1/1/N:5,18,6,17,28,21,10,12,4,11,19,16,7,15,8,2,23,20,24,25,26,1,27,22,14,3,9,13/E:(19,20,21)/rA:28NCOCCCCCOCCCONCCCCCFCNCFFFNC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;d18;s19;s19;s16d21;s8;s23;s23;s23;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-GSQMITXEUGIGFD_on_P14867_WT,Low,ChEMBL30,CHEMBL2348446,Cc1c2n[n+]([O-])c3c(cc(OCc4ccncc4)cc3)n2nc1,GSQMITXEUGIGFD,GSQMITXEUGIGFD-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-9-18-20-15-8-13(23-10-12-4-6-17-7-5-12)2-3-14(15)21(22)19-16(11)20/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,19,20,14,18,15,17,9,23,12,2,13,10,7,8,3,16,22,4,21,5,6,11/E:(4,5)(6,7)/CRV:21.5/rA:23CCCNN+O-CCCCOCCCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s5;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s3s8;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-GSQMITXEUGIGFD_on_P18507_WT,Low,ChEMBL30,CHEMBL2348446,Cc1c2n[n+]([O-])c3c(cc(OCc4ccncc4)cc3)n2nc1,GSQMITXEUGIGFD,GSQMITXEUGIGFD-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-9-18-20-15-8-13(23-10-12-4-6-17-7-5-12)2-3-14(15)21(22)19-16(11)20/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,19,20,14,18,15,17,9,23,12,2,13,10,7,8,3,16,22,4,21,5,6,11/E:(4,5)(6,7)/CRV:21.5/rA:23CCCNN+O-CCCCOCCCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s5;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s3s8;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-GSQMITXEUGIGFD_on_P47870_WT,Low,ChEMBL30,CHEMBL2348446,Cc1c2n[n+]([O-])c3c(cc(OCc4ccncc4)cc3)n2nc1,GSQMITXEUGIGFD,GSQMITXEUGIGFD-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-9-18-20-15-8-13(23-10-12-4-6-17-7-5-12)2-3-14(15)21(22)19-16(11)20/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,19,20,14,18,15,17,9,23,12,2,13,10,7,8,3,16,22,4,21,5,6,11/E:(4,5)(6,7)/CRV:21.5/rA:23CCCNN+O-CCCCOCCCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s5;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s3s8;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-GSSJQBLTGAEIQZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL227202;16736016,Cc1nc(C#Cc2cc(C(F)(F)F)ccc2)nnc1,GSSJQBLTGAEIQZ,GSSJQBLTGAEIQZ-UHFFFAOYSA-N,"InChI=1S/C13H8F3N3/c1-9-8-17-19-12(18-9)6-5-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,15,16,14,6,5,8,19,2,7,9,4,10,11,12,13,18,3,17/E:(14,15,16)/rA:19CCNCCCCCCCFFFCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;s10;s10;d9;s14;s7d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663;PubChemAID:291521,PMID:17569516,2007.0,PMID:17569516;PubChemAID:291521,2007;2010,1;0,0,0,0,0;1,,=,  7.070;  7.071,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-GSUZZMCUQVJYLM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3937970,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C#N)nc2)c3)cc1,GSUZZMCUQVJYLM,GSUZZMCUQVJYLM-UHFFFAOYSA-N,"InChI=1S/C24H19N5O2/c1-31-18-7-5-17(6-8-18)20-11-22(24(26)30)29-21-10-15(4-9-19(20)21)2-3-16-13-27-23(12-25)28-14-16/h4-11,13-14H,2-3H2,1H3,(H2,26,30)","""AuxInfo=1/1/N:1,19,20,17,5,30,4,31,16,29,8,25,22,28,18,21,6,3,15,7,14,9,24,10,26,11,23,27,13,12,2/E:(5,6)(7,8)(13,14)(27,28)/rA:31COCCCCCCCCNONCCCCCCCCCNCCNNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;t25;s24;s21d27;s14d18;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-GSVFLIVBVQPBLW_on_Q14416_WT,High,ChEMBL30,CHEMBL3337508,CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O,GSVFLIVBVQPBLW,GSVFLIVBVQPBLW-UHFFFAOYSA-N,"InChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3","""AuxInfo=1/0/N:1,2,3,16,15,17,14,18,11,19,7,4,10,20,6,22,13,12,21,8,24,23,9,5,25/E:(5,6)(7,8)(9,10)(13,14)/rA:25CCCCNCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;s9s19;d8;s21;t22;s5s21;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-GSWOEVDLBAZXTP_on_P41594_WT,High,ChEMBL30,CHEMBL404279,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(Cl)cc2)n1,GSWOEVDLBAZXTP,GSWOEVDLBAZXTP-UHFFFAOYSA-N,"InChI=1S/C17H10ClF3N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)7-4-12-2-5-14(18)6-3-12/h2-3,5-6,8-10H,1H3","""AuxInfo=1/0/N:1,17,22,15,18,21,14,11,3,5,2,16,6,19,13,12,7,20,8,9,10,23,4/E:(2,3)(5,6)(19,20,21)/rA:23CCCNCCCFFFCCCCCCCCCClCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s19;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-GSYQJUXQFDAEFC_on_P31644_WT,High,ChEMBL30,CHEMBL3681422,Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(Cl)cc2)no1,GSYQJUXQFDAEFC,GSYQJUXQFDAEFC-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c1-10-14(9-23-15-7-4-12(8-19-15)17(21)22)16(20-24-10)11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,17,22,8,18,21,7,13,4,2,16,9,19,3,6,15,10,20,14,23,11,12,5,24/E:(2,3)(5,6)(21,22)/rA:24CCCCOCCCCCOOCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s19;s16d21;d15;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-GTADKUQSONAGQH_on_P41594_WT,High,ChEMBL30,CHEMBL3597596,Cc1nc(C#CC=C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1,GTADKUQSONAGQH,GTADKUQSONAGQH-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c1-16-6-4-8-18(21-16)9-5-7-17-12-14-22(15-13-17)19-10-2-3-11-20(19)23(24)25/h2-4,6-8,10-11H,12-15H2,1H3","""AuxInfo=1/0/N:1,14,15,24,6,25,7,23,5,13,16,9,22,10,21,2,8,4,12,17,3,11,18,19,20/E:(12,13)(14,15)(24,25)/CRV:23.5/rA:25CCNCCCCCCCNCCCCCCN+OO-CCCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s17;d18;s18;s11;s8s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  9.520;  7.980,8.75,0.77,0.77,2.0,8.75,0.77
-GTFBYEDJEHFGKP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3983436,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CCCC1,GTFBYEDJEHFGKP,GTFBYEDJEHFGKP-UHFFFAOYSA-N,"InChI=1S/C22H23N3O/c1-24-20(19-9-5-6-10-19)16-25(22(24)26)21-14-13-18(15-23-21)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3","""AuxInfo=1/0/N:1,15,14,16,24,25,13,17,23,26,11,10,8,7,18,20,12,9,22,21,6,3,19,2,5,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CNCONCCCCCCCCCCCCCNCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-GTGGDPMSPFTXEJ_on_P18507_WT,Low,ChEMBL30,CHEMBL1783281,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(C)c3)cccc2c1N,GTGGDPMSPFTXEJ,GTGGDPMSPFTXEJ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(2)8-9-16(15)26-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,19,15,2,22,21,23,17,16,3,20,18,11,24,12,13,25,10,7,5,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s12d18;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-GTGGDPMSPFTXEJ_on_P28472_WT,Low,ChEMBL30,CHEMBL1783281,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(C)c3)cccc2c1N,GTGGDPMSPFTXEJ,GTGGDPMSPFTXEJ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(2)8-9-16(15)26-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,19,15,2,22,21,23,17,16,3,20,18,11,24,12,13,25,10,7,5,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s12d18;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-GTGGDPMSPFTXEJ_on_P47869_WT,High,ChEMBL30,CHEMBL1783281,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(C)c3)cccc2c1N,GTGGDPMSPFTXEJ,GTGGDPMSPFTXEJ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(2)8-9-16(15)26-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,19,15,2,22,21,23,17,16,3,20,18,11,24,12,13,25,10,7,5,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s12d18;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-GTHLADQNIASGBG_on_P41594_WT,Low,ChEMBL30,CHEMBL381921,Fc1cccc(C#Cc2csc(-c3cc(F)cc(F)c3)n2)c1,GTHLADQNIASGBG,GTHLADQNIASGBG-UHFFFAOYSA-N,"InChI=1S/C17H8F3NS/c18-13-3-1-2-11(6-13)4-5-16-10-22-17(21-16)12-7-14(19)9-15(20)8-12/h1-3,6-10H","""AuxInfo=1/0/N:4,5,3,7,8,22,14,20,17,10,6,13,2,15,18,9,12,1,16,19,21,11/E:(7,8)(14,15)(19,20)/rA:22FCCCCCCCCCSCCCCFCCFCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;s9d12;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GTHQUTAXFCXYOG_on_Q14833_WT,High,ChEMBL30,CHEMBL4241027,Cn1nc(C(=O)N2CCC(F)(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,GTHQUTAXFCXYOG,GTHQUTAXFCXYOG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N7O/c1-27-14-9-11(23-17-16-13(24-25-17)3-2-7-22-16)4-5-12(14)15(26-27)18(29)28-8-6-19(20,21)10-28/h2-5,7,9H,6,8,10H2,1H3,(H2,23,24,25)","""AuxInfo=1/1/N:1,23,24,28,29,9,22,8,16,13,17,14,25,15,4,20,19,5,10,11,12,21,18,26,27,3,2,7,6/E:(20,21)/rA:29CNNCCONCCCFFCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s10;s7s10;s4;s2d14;s15;d16;s17;s18;d19;s20;d21;s22;d23;s20s24;d25;s19s26;s17;s14d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-GTLAYADJMQDCQJ_on_P14867_WT,Low,ChEMBL30,CHEMBL203186,Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GTLAYADJMQDCQJ,GTLAYADJMQDCQJ-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,3,7,19,16,13,12,10,6,25,26,17,11,21,24,4,2,5,27/rA:27CNCNNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-GTLAYADJMQDCQJ_on_P18507_WT,Low,ChEMBL30,CHEMBL203186,Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GTLAYADJMQDCQJ,GTLAYADJMQDCQJ-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,3,7,19,16,13,12,10,6,25,26,17,11,21,24,4,2,5,27/rA:27CNCNNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869459;CHEMBL869461;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.600;  8.320;  8.340,8.42,0.128,0.09,3.0,8.34,0.02
-GTLAYADJMQDCQJ_on_P28472_WT,Low,ChEMBL30,CHEMBL203186,Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GTLAYADJMQDCQJ,GTLAYADJMQDCQJ-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,3,7,19,16,13,12,10,6,25,26,17,11,21,24,4,2,5,27/rA:27CNCNNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869461;CHEMBL869459;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.320;  8.600;  8.340,8.42,0.128,0.09,3.0,8.34,0.02
-GTLAYADJMQDCQJ_on_P31644_WT,Low,ChEMBL30,CHEMBL203186,Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GTLAYADJMQDCQJ,GTLAYADJMQDCQJ-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,3,7,19,16,13,12,10,6,25,26,17,11,21,24,4,2,5,27/rA:27CNCNNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-GTLAYADJMQDCQJ_on_P34903_WT,Low,ChEMBL30,CHEMBL203186,Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GTLAYADJMQDCQJ,GTLAYADJMQDCQJ-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,3,7,19,16,13,12,10,6,25,26,17,11,21,24,4,2,5,27/rA:27CNCNNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-GTMGSZVEILOOOX_on_P31644_WT,High,ChEMBL30,CHEMBL3681473,Cc1c(CNc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccc(F)c2)no1,GTMGSZVEILOOOX,GTMGSZVEILOOOX-UHFFFAOYSA-N,"InChI=1S/C19H16F4N4O2/c1-11-15(17(27-29-11)12-3-2-4-14(20)7-12)9-25-16-6-5-13(8-24-16)18(28)26-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,24,25)(H,26,28)","""AuxInfo=1/1/N:1,23,22,24,8,7,27,18,4,13,2,21,9,25,3,6,20,10,14,26,15,16,17,19,5,12,28,11,29/E:(21,22,23)/rA:29CCCCNCCCCCONCCFFFCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s25;s21d25;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-GTPDUXMCZZEOBE_on_P14867_WT,Low,ChEMBL30,CHEMBL117931,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(F)cc1,GTPDUXMCZZEOBE,GTPDUXMCZZEOBE-UHFFFAOYSA-N,"InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.540,9.54,0.0,0.0,1.0,9.54,0.0
-GTPDUXMCZZEOBE_on_P18507_WT,Low,ChEMBL30,CHEMBL117931,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(F)cc1,GTPDUXMCZZEOBE,GTPDUXMCZZEOBE-UHFFFAOYSA-N,"InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.190;  9.540,9.365,0.175,0.175,2.0,9.365,0.175
-GTPDUXMCZZEOBE_on_P28472_WT,Low,ChEMBL30,CHEMBL117931,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(F)cc1,GTPDUXMCZZEOBE,GTPDUXMCZZEOBE-UHFFFAOYSA-N,"InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.540;  9.190,9.365,0.175,0.175,2.0,9.365,0.175
-GTPDUXMCZZEOBE_on_P34903_WT,Low,ChEMBL30,CHEMBL117931,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(F)cc1,GTPDUXMCZZEOBE,GTPDUXMCZZEOBE-UHFFFAOYSA-N,"InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-GTQLSJCVKBHBDL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL457872;44588460,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3)nn2)CC1,GTQLSJCVKBHBDL,GTQLSJCVKBHBDL-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-7-13(8-11-21)14-12-22(20-19-14)15-6-4-5-9-18-15/h4-7,9,12H,8,10-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,20,10,23,17,9,24,13,11,12,15,6,2,16,22,21,8,14,7,5/E:(1,2,3)/rA:24CCCCOCONCCCCCNCNCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408;PubChemAID:389923,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389923,2008;2010,1;0,0,0,0,0;1,,=,  5.060;  5.060,5.06,0.0,0.0,2.0,5.06,0.0
-GTQLSJCVKBHBDL_on_Q13255_WT,High,ChEMBL30,CHEMBL457872,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3)nn2)CC1,GTQLSJCVKBHBDL,GTQLSJCVKBHBDL-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-7-13(8-11-21)14-12-22(20-19-14)15-6-4-5-9-18-15/h4-7,9,12H,8,10-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,20,10,23,17,9,24,13,11,12,15,6,2,16,22,21,8,14,7,5/E:(1,2,3)/rA:24CCCCOCONCCCCCNCNCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-GTRFGCMGMHCDPF_on_P14867_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-GTRFGCMGMHCDPF_on_P18507_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058330;CHEMBL3058327;CHEMBL3058328;CHEMBL3058331;CHEMBL3058332;CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.310;  7.140;  8.400;  6.910;  6.820;  7.540,7.353,0.526,0.235,6.0,7.225,0.315
-GTRFGCMGMHCDPF_on_P28472_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058330;CHEMBL3058331;CHEMBL3058327;CHEMBL3058328;CHEMBL3058332;CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.310;  6.910;  7.140;  8.400;  6.820;  7.540,7.353,0.526,0.235,6.0,7.225,0.315
-GTRFGCMGMHCDPF_on_P31644_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-GTRFGCMGMHCDPF_on_P34903_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-GTRFGCMGMHCDPF_on_P47869_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-GTRFGCMGMHCDPF_on_P48169_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-GTRFGCMGMHCDPF_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261922,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,GTRFGCMGMHCDPF,GTRFGCMGMHCDPF-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-14-5-4-8-22(14)17(24)12-9-11(20)6-7-13(12)23(16)10-21-15/h6-7,9-10,14H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,11,20,19,13,23,25,21,17,18,10,8,9,15,6,2,22,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-GTTBSQBPCNNRLL_on_Q13255_WT,High,ChEMBL30,CHEMBL3786552,Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(cccc4Cl)C3=O)cc2)occ1,GTTBSQBPCNNRLL,GTTBSQBPCNNRLL-UHFFFAOYSA-N,"InChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-17-6-5-12(9-16(17)22)24-10-14-13(20(24)26)3-2-4-15(14)21/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,23,24,27,26,10,13,2,11,15,14,19,8,7,3,4,21,20,9,6,12,5,22,25/rA:27CCCCONCCFCCNCCCCCCCClCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.900;  5.900,5.9,0.0,0.0,2.0,5.9,0.0
-GTTGIRXESFDMBX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3958094,COc1ccc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cn1,GTTGIRXESFDMBX,GTTGIRXESFDMBX-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O2/c1-27-11-14(10-25-27)16-8-17(21(23)28)26-20-15(16)5-4-13(19(20)22)7-12-3-6-18(29-2)24-9-12/h3-6,8-11H,7H2,1-2H3,(H2,23,28)","""AuxInfo=1/1/N:16,1,5,9,10,4,7,19,28,18,14,6,8,13,11,12,20,3,26,25,21,27,22,29,17,24,15,23,2/rA:29COCCCCCCCCCCCCNCNCCCCNONCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s20;s21;d21;d20;s11s24;s8d25;s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-GTUCKKXMLWAYQF_on_O15399_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_O60391_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_Q05586_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_Q12879_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_Q13224_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTUCKKXMLWAYQF_on_Q14957_WT,Low,ChEMBL30,CHEMBL42146,Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1,GTUCKKXMLWAYQF,GTUCKKXMLWAYQF-UHFFFAOYSA-N,"InChI=1S/C11H10N2O3/c1-5-3-6(2)8-7(4-5)12-11(15)9(13-16)10(8)14/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,16,2,4,15,6,9,7,12,14,10,8,13,11/rA:16CCCCCCCOCNOCONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s9;s12;d12;s6s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-GTWDLILEKFSCOA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL225201;11530971,CCc1ccc(-n2c(CC)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,GTWDLILEKFSCOA,GTWDLILEKFSCOA-UHFFFAOYSA-N,"InChI=1S/C21H22N4OS/c1-5-13-7-9-14(10-8-13)25-16(6-2)23-18-17-15(24(3)4)11-12-22-20(17)27-19(18)21(25)26/h7-12H,5-6H2,1-4H3","""AuxInfo=1/0/N:1,10,19,20,2,9,4,27,5,26,21,22,3,6,17,8,16,12,13,15,24,23,11,18,7,25,14/E:(3,4)(7,8)(9,10)/rA:27CCCCCCNCCCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d8;s11;d12;s13;s14;s12d15;s16;s17;s18;s18;d17;s21;s15d22;s7s13;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420;PubChemAID:282966,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282966,2005;2010,1;0,0,0,0,0;1,,=,  5.340;  5.344,5.3420000000000005,0.002,0.002,2.0,5.3420000000000005,0.002
-GTWDLILEKFSCOA_on_Q13255_WT,High,ChEMBL30,CHEMBL225201,CCc1ccc(-n2c(CC)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,GTWDLILEKFSCOA,GTWDLILEKFSCOA-UHFFFAOYSA-N,"InChI=1S/C21H22N4OS/c1-5-13-7-9-14(10-8-13)25-16(6-2)23-18-17-15(24(3)4)11-12-22-20(17)27-19(18)21(25)26/h7-12H,5-6H2,1-4H3","""AuxInfo=1/0/N:1,10,19,20,2,9,4,27,5,26,21,22,3,6,17,8,16,12,13,15,24,23,11,18,7,25,14/E:(3,4)(7,8)(9,10)/rA:27CCCCCCNCCCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d8;s11;d12;s13;s14;s12d15;s16;s17;s18;s18;d17;s21;s15d22;s7s13;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-GTXLGPGRDMYOHC_on_Q13255_WT,High,ChEMBL30,CHEMBL565943,Cc1c(-c2ccc3C(=O)C(C4CC4)Cc3c2)nnn1-c1cnccc1,GTXLGPGRDMYOHC,GTXLGPGRDMYOHC-UHFFFAOYSA-N,"InChI=1S/C20H18N4O/c1-12-19(22-23-24(12)16-3-2-8-21-11-16)14-6-7-17-15(9-14)10-18(20(17)25)13-4-5-13/h2-3,6-9,11,13,18H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,24,25,12,13,5,6,23,16,14,21,2,11,4,15,20,7,10,3,8,22,17,18,19,9/E:(4,5)/rA:25CCCCCCCCOCCCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11s12;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-GUBSCGDUBCUOJV_on_Q14416_WT,High,ChEMBL30,CHEMBL594204,COCCn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cccc2,GUBSCGDUBCUOJV,GUBSCGDUBCUOJV-UHFFFAOYSA-N,"InChI=1S/C21H23ClF3N5O/c1-31-13-12-30-17-5-3-2-4-16(17)26-19(30)14-28-8-10-29(11-9-28)20-15(21(23,24)25)6-7-18(22)27-20/h2-7H,8-14H2,1H3","""AuxInfo=1/0/N:1,30,29,31,28,17,16,9,24,10,23,4,3,7,18,26,27,14,6,12,19,15,20,21,22,25,13,8,11,5,2/E:(8,9)(10,11)(23,24,25)/rA:31COCCNCCNCCNCNCClCCCCFFFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s18;s19;s19;s19;s11;s8s23;d6;s25;s5d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GUCKTQWFKFEVTN_on_P41594_WT,High,ChEMBL30,CHEMBL204799,CN1CC(=O)N=C1NC(=O)Nc1cccc(Br)c1,GUCKTQWFKFEVTN,GUCKTQWFKFEVTN-UHFFFAOYSA-N,"InChI=1S/C11H11BrN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:1,14,15,13,18,3,16,12,4,7,9,17,11,6,8,2,5,10/rA:18CNCCONCNCONCCCCCBrC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-GUCLNMCJVCURJB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3923360,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C)(C)C2)c3)cn1,GUCLNMCJVCURJB,GUCLNMCJVCURJB-UHFFFAOYSA-N,"InChI=1S/C21H25N5O2/c1-21(2)13-26(6-7-28-21)11-14-4-5-16-17(15-10-23-25(3)12-15)9-19(20(22)27)24-18(16)8-14/h4-5,8-10,12H,6-7,11,13H2,1-3H3,(H2,22,27)","""AuxInfo=1/1/N:23,24,1,15,14,19,20,26,6,27,17,3,25,16,4,13,5,12,7,8,22,9,28,11,2,18,10,21/E:(1,2)/rA:28CNCCCCCCNONCCCCCCNCCOCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s22;s18s22;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-GUFUFYFRTYYYNL_on_P41594_WT,High,ChEMBL30,CHEMBL196054,C(#Cc1ncccc1)C1=CC(Sc2ccncc2)CCC1,GUFUFYFRTYYYNL,GUFUFYFRTYYYNL-UHFFFAOYSA-N,"InChI=1S/C18H16N2S/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2","""AuxInfo=1/0/N:7,6,20,21,8,19,1,2,14,18,5,15,17,10,9,3,13,11,16,4,12/E:(9,10)(12,13)/rA:21CCCNCCCCCCCSCCCNCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-GUMNHNFARVZUKV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3934173,Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1,GUMNHNFARVZUKV,GUMNHNFARVZUKV-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O/c1-13-10-16(4-5-18(13)22(23,24)25)21-27-20(17-11-14(2)26-15(3)12-17)19-6-8-29-9-7-28(19)21/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:23,1,28,15,16,7,11,8,10,24,3,26,22,2,27,14,4,17,6,5,13,18,19,20,21,29,25,12,9/E:(2,3)(11,12)(14,15)(23,24,25)/rA:29CCCCCCCCOCCNCCCCCCFFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-GUOQUXNJZHGPQF_on_P14867_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822162;CHEMBL829006;CHEMBL1273615;CHEMBL676826,PMID:9651158,1998.0,PMID:10633039;PMID:9651158;PMID:15743180;PMID:20888240;PMID:15027873,2000;1998;2005;2010;2004,0,0,0,1,0,,=,  7.240;  7.240;  7.180;  7.240;  7.240,7.228,0.024,0.012,5.0,7.24,0.0
-GUOQUXNJZHGPQF_on_P18507_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678329;CHEMBL1273619;CHEMBL682251;CHEMBL829005;CHEMBL1273616;CHEMBL1273617;CHEMBL1273615;CHEMBL830420;CHEMBL824294;CHEMBL823761;CHEMBL822162;CHEMBL685337;CHEMBL681480;CHEMBL681248;CHEMBL830421;CHEMBL678745;CHEMBL829006;CHEMBL678741;CHEMBL681841,PMID:9651158,1998.0,PMID:15027873;PMID:10633039;PMID:20888240;PMID:10633039;PMID:15743180;PMID:20888240;PMID:20888240;PMID:20888240;PMID:15743180;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:15743180;PMID:15027873;PMID:15743180;PMID:15027873;PMID:15027873,2004;2000;2010;2000;2005;2010;2010;2010;2005;1998;1998;1998;1998;2000;2000;2005;2004;2005;2004;2004,0,0,0,1,0,,=,  7.240;  7.240;  6.250;  5.940;  6.140;  5.710;  5.930;  7.240;  6.070;  5.710;  5.930;  7.240;  6.250;  6.250;  5.710;  6.340;  6.250;  7.180;  5.920;  5.700,6.312,0.563,0.129,20.0,6.195,0.27
-GUOQUXNJZHGPQF_on_P28472_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823761;CHEMBL676826;CHEMBL681480;CHEMBL824294;CHEMBL1273619;CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL678745;CHEMBL681841;CHEMBL830420;CHEMBL678741;CHEMBL681248;CHEMBL682251;CHEMBL822162;CHEMBL678329;CHEMBL685337,PMID:9651158,1998.0,PMID:9651158;PMID:15027873;PMID:10633039;PMID:9651158;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:15743180;PMID:15743180;PMID:15743180;PMID:15027873;PMID:15027873;PMID:15743180;PMID:15027873;PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039;PMID:9651158,1998;2004;2000;1998;2010;2010;2010;2010;2005;2005;2005;2004;2004;2005;2004;2000;2000;1998;2000;1998,0,0,0,1,0,,=,  5.930;  7.240;  6.250;  5.710;  6.250;  7.240;  5.710;  5.930;  6.140;  7.180;  6.340;  6.250;  5.700;  6.070;  5.920;  5.710;  5.940;  7.240;  7.240;  6.250,6.312,0.563,0.129,20.0,6.195,0.27
-GUOQUXNJZHGPQF_on_P31644_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619;CHEMBL685337;CHEMBL830421;CHEMBL681480;CHEMBL678745,PMID:9651158,1998.0,PMID:20888240;PMID:9651158;PMID:15743180;PMID:10633039;PMID:15027873,2010;1998;2005;2000;2004,0,0,0,1,0,,=,  6.250;  6.250;  6.340;  6.250;  6.250,6.268,0.036000000000000004,0.018000000000000002,5.0,6.25,0.0
-GUOQUXNJZHGPQF_on_P34903_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741;CHEMBL830420;CHEMBL1273617;CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:15027873;PMID:15743180;PMID:20888240;PMID:9651158;PMID:10633039,2004;2005;2010;1998;2000,0,0,0,1,0,,=,  5.920;  6.070;  5.930;  5.930;  5.940,5.957999999999999,0.055999999999999994,0.027999999999999997,5.0,5.93,0.01
-GUOQUXNJZHGPQF_on_P47869_WT,Low,ChEMBL30,CHEMBL13662,Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12,GUOQUXNJZHGPQF,GUOQUXNJZHGPQF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3","""AuxInfo=1/0/N:1,17,18,16,7,6,10,2,9,11,8,5,12,13,14,15,3,4,19,20/E:(14,15,16)/rA:20CCNNCCCCCCCCFFFCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;d8;s2s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681841;CHEMBL829005;CHEMBL1273616;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:15027873;PMID:15743180;PMID:20888240;PMID:10633039,1998;2004;2005;2010;2000,0,0,0,1,0,,=,  5.710;  5.700;  6.140;  5.710;  5.710,5.794,0.17300000000000001,0.087,5.0,5.71,0.0
-GUPSSBJDRLIVTI_on_P14867_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GUPSSBJDRLIVTI_on_P18507_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GUPSSBJDRLIVTI_on_P28472_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GUPSSBJDRLIVTI_on_P31644_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GUPSSBJDRLIVTI_on_P34903_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GUPSSBJDRLIVTI_on_P47869_WT,Low,ChEMBL30,CHEMBL333659,Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1,GUPSSBJDRLIVTI,GUPSSBJDRLIVTI-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(24-12)10-30-21-17-14-8-6-13(7-9-14)16(17)18-25-26-20(29(18)27-21)19-22-11-23-28(19)2/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,18,4,3,5,26,28,25,29,7,15,2,27,24,6,22,23,21,13,12,9,14,16,30,20,19,10,17,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCNNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GURJCURQGMVSSN_on_P41594_WT,High,ChEMBL30,CHEMBL1672538,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cc(Cl)cc2,GURJCURQGMVSSN,GURJCURQGMVSSN-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-8-28-19-10-15(22)5-7-18(19)27-21(28)14-9-17(23)20(25-11-14)26-16-6-4-13(2)24-12-16/h4-7,9-12H,3,8H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,17,27,18,28,3,7,24,20,13,15,6,25,12,8,22,23,10,5,26,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCCClCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-GUTXZRKRYGCMAD_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44348993;CHEMBL333771,NC(CCc1cc(Cl)ccc1)(C(=O)O)C1CC1C(=O)O,GUTXZRKRYGCMAD,GUTXZRKRYGCMAD-UHFFFAOYSA-N,"InChI=1S/C14H16ClNO4/c15-9-3-1-2-8(6-9)4-5-14(16,13(19)20)11-7-10(11)12(17)18/h1-3,6,10-11H,4-5,7,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:10,11,9,4,3,6,16,5,7,17,15,18,12,2,8,1,19,20,13,14/E:(17,18)(19,20)/rA:20NCCCCCCClCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:108816;CHEMBL717203,PMID:9464367,1998.0,PubChemAID:108816;PMID:9464367,2010;1998,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-GUTXZRKRYGCMAD_on_Q14832_WT,High,ExCAPE-DB;ChEMBL30,44348993;CHEMBL333771,NC(CCc1cc(Cl)ccc1)(C(=O)O)C1CC1C(=O)O,GUTXZRKRYGCMAD,GUTXZRKRYGCMAD-UHFFFAOYSA-N,"InChI=1S/C14H16ClNO4/c15-9-3-1-2-8(6-9)4-5-14(16,13(19)20)11-7-10(11)12(17)18/h1-3,6,10-11H,4-5,7,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:10,11,9,4,3,6,16,5,7,17,15,18,12,2,8,1,19,20,13,14/E:(17,18)(19,20)/rA:20NCCCCCCClCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:109157;CHEMBL718350,PMID:9464367,1998.0,PubChemAID:109157;PMID:9464367,2010;1998,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-GUVCAXIKQMAZGE_on_O00591_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_O14764_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P14867_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P18505_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P18507_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P28472_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P31644_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P34903_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P47869_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P47870_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P48169_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_P78334_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_Q16445_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUVCAXIKQMAZGE_on_Q99928_WT,Low,ChEMBL30,CHEMBL69006,Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,GUVCAXIKQMAZGE,GUVCAXIKQMAZGE-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-8-13-15(10)17-18(21-13)16-11-6-2-3-7-12(11)20-14(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,6,7,20,17,5,12,2,15,16,4,13,3,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-GUYOIYKANZNIKE_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289837;CHEMBL1289837;CHEMBL1289954,Oc1ccc2c(c1)CCN(C1CCC(c3ccccc3)CC1)CC2O,GUYOIYKANZNIKE,GUYOIYKANZNIKE-UHFFFAOYSA-N,"InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2","""AuxInfo=1/0/N:18,17,19,16,20,13,21,12,22,3,4,8,9,7,23,15,14,6,11,2,5,24,10,1,25/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCCCCNCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;s5s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494;CHEMBL1292492;CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0;1;0,0,0,1;0;1,0,,=,  8.480;  4.920;  8.050,7.15,1.587,1.122,3.0,8.05,0.43
-GUYOIYKANZNIKE_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289837;CHEMBL1289954;CHEMBL1289837,Oc1ccc2c(c1)CCN(C1CCC(c3ccccc3)CC1)CC2O,GUYOIYKANZNIKE,GUYOIYKANZNIKE-UHFFFAOYSA-N,"InChI=1S/C22H27NO2/c24-20-10-11-21-18(14-20)12-13-23(15-22(21)25)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-5,10-11,14,17,19,22,24-25H,6-9,12-13,15H2","""AuxInfo=1/0/N:18,17,19,16,20,13,21,12,22,3,4,8,9,7,23,15,14,6,11,2,5,24,10,1,25/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCCCCNCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;s5s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292492;CHEMBL1292494;CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,1;0;0,0,0,0;1;1,0,,=,  4.920;  8.050;  8.480,7.15,1.587,1.122,3.0,8.05,0.43
-GVAMUSKAIPNUSE_on_P31644_WT,High,ChEMBL30,CHEMBL3681570,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccccn2)no1,GVAMUSKAIPNUSE,GVAMUSKAIPNUSE-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-12(2)22-19(24)14-7-8-17(21-10-14)25-11-15-13(3)26-23-18(15)16-6-4-5-9-20-16/h4-10,12H,11H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,21,22,20,8,7,23,16,4,13,2,9,3,19,6,18,10,24,17,12,25,11,5,26/E:(1,2)/rA:26CCCCOCCCCCONCCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-GVCLMPIHXDIHDD_on_P41594_WT,High,ChEMBL30,CHEMBL3644378,CC1=C2c3c(CCN2C(=O)CN=C1n1cnc(C2CC2)c1)c(-c1cc(C)no1)ccc3,GVCLMPIHXDIHDD,GVCLMPIHXDIHDD-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-14-10-21(31-27-14)18-4-3-5-19-17(18)8-9-29-22(30)11-25-24(15(2)23(19)29)28-12-20(26-13-28)16-6-7-16/h3-5,10,12-13,16H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:26,1,30,29,31,19,20,6,7,24,11,21,15,25,2,18,5,22,4,17,23,9,3,13,12,16,27,14,8,10,28/E:(6,7)/rA:31CCCCCCCNCOCNCNCNCCCCCCCCCCNOCCC/rB:s1;w?2;s3;d4;s5;s6;s3s7;s8;d9;s9;s11;s2w?12;s13;s14;d15;s16;s17;s18;s18s19;s14d17;s5;s22;d23;s24;s25;d25;s23s27;d22;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-GVCLMPIHXDIHDD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644378,CC1=C2c3c(CCN2C(=O)CN=C1n1cnc(C2CC2)c1)c(-c1cc(C)no1)ccc3,GVCLMPIHXDIHDD,GVCLMPIHXDIHDD-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-14-10-21(31-27-14)18-4-3-5-19-17(18)8-9-29-22(30)11-25-24(15(2)23(19)29)28-12-20(26-13-28)16-6-7-16/h3-5,10,12-13,16H,6-9,11H2,1-2H3","""AuxInfo=1/0/N:26,1,30,29,31,19,20,6,7,24,11,21,15,25,2,18,5,22,4,17,23,9,3,13,12,16,27,14,8,10,28/E:(6,7)/rA:31CCCCCCCNCOCNCNCNCCCCCCCCCCNOCCC/rB:s1;w?2;s3;d4;s5;s6;s3s7;s8;d9;s9;s11;s2w?12;s13;s14;d15;s16;s17;s18;s18s19;s14d17;s5;s22;d23;s24;s25;d25;s23s27;d22;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GVFGGFFIXQRPKM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3914702,CCN(C(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)C,GVFGGFFIXQRPKM,GVFGGFFIXQRPKM-UHFFFAOYSA-N,"InChI=1S/C19H20FN3O/c1-5-23(19(2,3)4)18(24)17-21-12-15(13-22-17)10-9-14-7-6-8-16(20)11-14/h6-8,11-13H,5H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,14,13,15,11,10,18,8,19,12,9,16,6,4,21,17,7,20,3,5/E:(2,3,4)(12,13)(21,22)/rA:24CCNCOCNCCCCCCCCCFCCNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544,PATENT:US9359301B2,2016.0,PATENT:US9359301B2,2016,0,0;1,0,1;0,0,,=,  7.030;  7.030,7.03,0.0,0.0,2.0,7.03,0.0
-GVHWCKYZRNCSMM_on_Q14416_WT,High,ChEMBL30,CHEMBL4075417,Cc1nc(C)c(Oc2c(F)cc(-c3c(C)c4nnc(CC5CC5)n4cc3)cc2)cc1,GVHWCKYZRNCSMM,GVHWCKYZRNCSMM-UHFFFAOYSA-N,"InChI=1S/C24H23FN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3","""AuxInfo=1/0/N:1,15,5,30,22,23,27,29,28,26,25,20,11,2,14,4,21,12,13,9,6,8,19,16,10,3,18,17,24,7/E:(5,6)/rA:30CCNCCCOCCFCCCCCCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s13d25;s12;s8d27;s6;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040507;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;1;0,0;0;1,0,,=,  7.110;  8.000;  7.660,7.59,0.36700000000000005,0.259,3.0,7.66,0.34
-GVHZJTBZBASPQZ_on_P41594_WT,High,ChEMBL30,CHEMBL3655659,CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1,GVHZJTBZBASPQZ,GVHZJTBZBASPQZ-UHFFFAOYSA-N,"InChI=1S/C18H16BrN5O/c1-2-24(17-10-21-12-22-11-17)16-7-15(8-20-9-16)23-18(25)13-4-3-5-14(19)6-13/h3-12H,2H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,20,19,21,24,25,13,11,5,9,7,18,22,14,10,4,16,23,12,6,8,15,3,17/E:(10,11)(21,22)/rA:25CCNCCNCNCCCNCCNCOCCCCCBrCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;d10;s11;d12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-GVJRHFHKMKOHAL_on_P41594_WT,High,ChEMBL30,CHEMBL3655625,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccn1,GVJRHFHKMKOHAL,GVJRHFHKMKOHAL-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)","""AuxInfo=1/1/N:21,22,18,16,5,7,11,15,13,19,4,8,10,17,2,20,6,12,14,23,3,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCCCFCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-GVNGUSBOTCULBO_on_P41594_WT,High,ChEMBL30,CHEMBL3735762,CC(C)(C)Cn1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2,GVNGUSBOTCULBO,GVNGUSBOTCULBO-UHFFFAOYSA-N,"InChI=1S/C19H22FN5O/c1-19(2,3)11-25-16-9-6-13(10-15(16)22-24-25)18-21-17(23-26-18)12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,23,12,19,22,11,26,5,17,13,20,9,10,16,14,2,21,15,8,24,7,6,25/E:(1,2,3)(4,5)(7,8)/rA:26CCCCCNNNCCCCCCNCCCCCFCCNOC/rB:s1;s2;s2;s2;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;d16;s14s24;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-GVNMFLITEIDTLW_on_Q14416_WT,High,ChEMBL30,CHEMBL3884332,CC(C)(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(F)cc1,GVNMFLITEIDTLW,GVNMFLITEIDTLW-UHFFFAOYSA-N,"InChI=1S/C21H21F4N3O/c1-20(2,14-5-7-15(22)8-6-14)12-29-16-9-10-28-17(11-13-3-4-13)26-27-19(28)18(16)21(23,24)25/h5-10,13H,3-4,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,24,29,25,28,22,21,16,4,17,23,26,6,15,7,12,2,8,27,9,10,11,14,13,20,5/E:(1,2)(3,4)(5,6)(7,8)(23,24,25)/rA:29CCCCOCCCFFFCNNCCCCCNCCCCCCFCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s8;s8;s7;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s6d21;s2;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-GVOJEGPJNSAPKK_on_Q14833_WT,High,ChEMBL30,CHEMBL3808648,Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1Cl,GVOJEGPJNSAPKK,GVOJEGPJNSAPKK-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S/c1-12-10-14(5-6-15(12)18)25(23,24)21-9-7-13(11-21)20-17(22)16-4-2-3-8-19-16/h2-11H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,17,18,16,22,23,10,19,9,3,21,2,11,4,24,15,13,25,20,12,8,14,6,7,5/E:(23,24)/CRV:25.6/rA:25CCCCSOONCCCNCOCCCCCNCCCCCl/rB:s1;d2;s3;s4;d5;d5;s5;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s8d11;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.790;  6.790,6.79,0.0,0.0,2.0,6.79,0.0
-GVOJLIRYQUJFTH_on_Q13255_WT,High,ChEMBL30,CHEMBL2418382,O=C(N1CC2CN(c3c(F)cccn3)CC2C1)C12CC3CC(CC(C3)C1)C2,GVOJLIRYQUJFTH,GVOJLIRYQUJFTH-UHFFFAOYSA-N,"InChI=1S/C22H28FN3O/c23-19-2-1-3-24-20(19)25-10-17-12-26(13-18(17)11-25)21(27)22-7-14-4-15(8-22)6-16(5-14)9-22/h1-3,14-18H,4-13H2","""AuxInfo=1/0/N:12,11,13,21,23,25,27,19,26,6,15,4,17,22,20,24,5,16,9,8,2,18,10,14,7,3,1/E:(4,5,6)(7,8,9)(10,11)(12,13)(14,15,16)(17,18)/rA:27OCNCCCNCCFCCCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s9;d11;s12;s8d13;s7;s5s15;s3s16;s2;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  6.000;  6.000,6.0,0.0,0.0,2.0,6.0,0.0
-GVPXLWKLLHIOON_on_P41594_WT,High,ChEMBL30,CHEMBL4078967,CC1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,GVPXLWKLLHIOON,GVPXLWKLLHIOON-UHFFFAOYSA-N,"InChI=1S/C21H19Cl3N2O2S/c1-13-6-8-26(9-7-13)21-16-10-14(22)2-5-19(16)25-12-20(21)29(27,28)15-3-4-17(23)18(24)11-15/h2-5,10-13H,6-9H2,1H3","""AuxInfo=1/0/N:1,11,21,22,12,3,29,4,28,8,27,15,2,9,20,7,23,25,13,16,6,10,24,26,14,5,18,19,17/E:(6,7)(8,9)(27,28)/CRV:29.6/rA:29CCCCNCCCCClCCCNCCSOOCCCCClCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;d11;s7s12;d13;s14;s6d15;s16;d17;d17;s17;d20;s21;d22;s23;s23;s25;s20d25;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-GVQHDESNIXDRAN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947212,CC1(C)CCN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1,GVQHDESNIXDRAN,GVQHDESNIXDRAN-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2/c1-18(2)9-11-21(17(22)23-18)16-8-7-15(13-20-16)6-5-14-4-3-10-19-12-14/h3-4,7-8,10,12-13H,9,11H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,12,11,9,8,4,16,5,18,19,13,10,7,21,2,17,20,6,22,23/E:(1,2)/rA:23CCCCCNCCCCCCCCCCNCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-GVROTPJHPVHTKV_on_P18507_WT,Low,ChEMBL30,CHEMBL397813,FC(F)(F)c1cc(Cl)c(-n2cc(C3CCCCC3)nn2)c(Cl)c1,GVROTPJHPVHTKV,GVROTPJHPVHTKV-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h6-9H,1-5H2","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s16;s13s17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-GVROTPJHPVHTKV_on_P47869_WT,Low,ChEMBL30,CHEMBL397813,FC(F)(F)c1cc(Cl)c(-n2cc(C3CCCCC3)nn2)c(Cl)c1,GVROTPJHPVHTKV,GVROTPJHPVHTKV-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h6-9H,1-5H2","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s16;s13s17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-GVROTPJHPVHTKV_on_P47870_WT,Low,ChEMBL30,CHEMBL397813,FC(F)(F)c1cc(Cl)c(-n2cc(C3CCCCC3)nn2)c(Cl)c1,GVROTPJHPVHTKV,GVROTPJHPVHTKV-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-8-13(21-22-23)9-4-2-1-3-5-9/h6-9H,1-5H2","""AuxInfo=1/0/N:16,15,17,14,18,6,23,11,13,5,7,21,12,9,2,8,22,1,3,4,19,20,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNCCCCCCCCNNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s15;s16;s13s17;s12;s10d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-GVSLONTUMQMKRA_on_P14867_WT,Medium,ChEMBL30,CHEMBL148043,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3-c3cccs3)cn12,GVSLONTUMQMKRA,GVSLONTUMQMKRA-UHFFFAOYSA-N,"InChI=1S/C26H22N4OS/c31-26-28-22-12-13-29(15-18-7-2-1-3-8-18)16-21(22)25-27-23(17-30(25)26)19-9-4-5-10-20(19)24-11-6-14-32-24/h1-11,14,17H,12-13,15-16H2,(H,28,31)","""AuxInfo=1/1/N:12,11,13,22,23,28,10,14,21,24,27,16,15,29,8,6,31,9,20,25,5,4,19,26,17,2,18,3,7,32,1,30/E:(2,3)(7,8)/rA:32OCNCCCNCCCCCCCCCCNCCCCCCCCCCCSCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s20d24;s25;d26;s27;d28;s26s29;d19;s2s17s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GVSLONTUMQMKRA_on_P47869_WT,Medium,ChEMBL30,CHEMBL148043,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3-c3cccs3)cn12,GVSLONTUMQMKRA,GVSLONTUMQMKRA-UHFFFAOYSA-N,"InChI=1S/C26H22N4OS/c31-26-28-22-12-13-29(15-18-7-2-1-3-8-18)16-21(22)25-27-23(17-30(25)26)19-9-4-5-10-20(19)24-11-6-14-32-24/h1-11,14,17H,12-13,15-16H2,(H,28,31)","""AuxInfo=1/1/N:12,11,13,22,23,28,10,14,21,24,27,16,15,29,8,6,31,9,20,25,5,4,19,26,17,2,18,3,7,32,1,30/E:(2,3)(7,8)/rA:32OCNCCCNCCCCCCCCCCNCCCCCCCCCCCSCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s20d24;s25;d26;s27;d28;s26s29;d19;s2s17s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-GVURXRWNLBAMGJ_on_Q13224_WT,Medium,ChEMBL30,CHEMBL160013,COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc1,GVURXRWNLBAMGJ,GVURXRWNLBAMGJ-UHFFFAOYSA-N,"InChI=1S/C16H15F3N2O2/c1-22-13-6-2-11(3-7-13)10-21-15(20)12-4-8-14(9-5-12)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,5,22,12,21,4,23,13,20,7,6,11,3,14,9,16,17,18,19,10,8,2,15/E:(2,3)(4,5)(6,7)(8,9)(17,18,19)/rA:23COCCCCCNCNCCCCOCFFFCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s9;d11;s12;d13;s14;s15;s16;s16;s16;s14;s11d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GVXRNVRTZGRWBH_on_Q13224_WT,High,ChEMBL30,CHEMBL3357786,c1ccc(CCNC2CCc3c(cccc3)CC2)cc1,GVXRNVRTZGRWBH,GVXRNVRTZGRWBH-UHFFFAOYSA-N,"InChI=1S/C19H23N/c1-2-6-16(7-3-1)14-15-20-19-12-10-17-8-4-5-9-18(17)11-13-19/h1-9,19-20H,10-15H2","""AuxInfo=1/0/N:1,2,20,14,15,3,19,13,16,17,10,18,9,5,6,4,12,11,8,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)/rA:20CCCCCCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s12;s8s17;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-GVYDDJHUGHDTMI_on_P41594_WT,High,ChEMBL30,CHEMBL3314806,O=C(Nc1cccc(Oc2cccnc2)n1)c1cc(Cl)ccc1,GVYDDJHUGHDTMI,GVYDDJHUGHDTMI-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-13-5-1-4-12(10-13)17(22)21-15-7-2-8-16(20-15)23-14-6-3-9-19-11-14/h1-11H,(H,20,21,22)","""AuxInfo=1/1/N:22,6,12,23,21,11,5,7,13,18,15,17,19,10,4,8,2,20,14,16,3,1,9/rA:23OCNCCCCCOCCCCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-GVZGVTYNWPJUEL_on_P41594_WT,Low,ChEMBL30,CHEMBL203566,Cc1cccc(NC(=O)NC2=NC(=O)C3CCCN23)c1C,GVZGVTYNWPJUEL,GVZGVTYNWPJUEL-UHFFFAOYSA-N,"InChI=1S/C15H18N4O2/c1-9-5-3-6-11(10(9)2)16-15(21)18-14-17-13(20)12-7-4-8-19(12)14/h3,5-6,12H,4,7-8H2,1-2H3,(H2,16,17,18,20,21)","""AuxInfo=1/1/N:1,21,4,17,3,5,16,18,2,20,6,15,13,11,8,7,12,10,19,14,9/rA:21CCCCCCNCONCNCOCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s13;s15;s16;s17;s11s15s18;s2d6;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GWCQPEHFUKZODL_on_O00591_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_O14764_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P14867_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P18505_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P18507_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P28472_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P31644_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P34903_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P47869_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P47870_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P48169_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_P78334_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_Q16445_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWCQPEHFUKZODL_on_Q99928_WT,Low,ChEMBL30,CHEMBL328137,Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1,GWCQPEHFUKZODL,GWCQPEHFUKZODL-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GWERFVJRQFKXQG_on_P14867_WT,Low,ChEMBL30,CHEMBL203877,CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GWERFVJRQFKXQG,GWERFVJRQFKXQG-UHFFFAOYSA-N,"InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,19,23,21,24,5,8,20,17,14,13,11,7,26,27,18,12,22,25,4,6,3,28/rA:28CCNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-GWERFVJRQFKXQG_on_P18507_WT,Low,ChEMBL30,CHEMBL203877,CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GWERFVJRQFKXQG,GWERFVJRQFKXQG-UHFFFAOYSA-N,"InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,19,23,21,24,5,8,20,17,14,13,11,7,26,27,18,12,22,25,4,6,3,28/rA:28CCNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869460;CHEMBL869461;CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.470;  9.020;  8.620,8.703,0.23199999999999998,0.16399999999999998,3.0,8.62,0.15
-GWERFVJRQFKXQG_on_P28472_WT,Low,ChEMBL30,CHEMBL203877,CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GWERFVJRQFKXQG,GWERFVJRQFKXQG-UHFFFAOYSA-N,"InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,19,23,21,24,5,8,20,17,14,13,11,7,26,27,18,12,22,25,4,6,3,28/rA:28CCNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869459;CHEMBL869460;CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.620;  8.470;  9.020,8.703,0.23199999999999998,0.16399999999999998,3.0,8.62,0.15
-GWERFVJRQFKXQG_on_P31644_WT,Low,ChEMBL30,CHEMBL203877,CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GWERFVJRQFKXQG,GWERFVJRQFKXQG-UHFFFAOYSA-N,"InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,19,23,21,24,5,8,20,17,14,13,11,7,26,27,18,12,22,25,4,6,3,28/rA:28CCNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.020,9.02,0.0,0.0,1.0,9.02,0.0
-GWERFVJRQFKXQG_on_P34903_WT,Low,ChEMBL30,CHEMBL203877,CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,GWERFVJRQFKXQG,GWERFVJRQFKXQG-UHFFFAOYSA-N,"InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,19,23,21,24,5,8,20,17,14,13,11,7,26,27,18,12,22,25,4,6,3,28/rA:28CCNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-GWNYHPWPLXZFSR_on_Q05586_WT,High,ChEMBL30,CHEMBL248436,CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12,GWNYHPWPLXZFSR,GWNYHPWPLXZFSR-UHFFFAOYSA-N,"InChI=1S/C16H12Cl2FN3O4S/c1-27(25,26)22(7-8-3-2-4-9(19)5-8)14-12(18)10(17)6-11-13(14)21-16(24)15(23)20-11/h2-6H,7H2,1H3,(H,20,23)(H,21,24)","""AuxInfo=1/1/N:1,9,8,10,13,19,6,7,11,17,20,15,27,14,22,24,18,16,12,21,26,5,23,25,3,4,2/E:(25,26)/CRV:27.6/rA:27CSOONCCCCCCFCCCClCClCCNCOCONC/rB:s1;d2;d2;s2;s5;s6;d7;s8;d9;s10;s11;s7d11;s5;d14;s15;s15;s17;d17;s19;d20;s21;s22;d22;s24;s24;s14s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-GWQOEHKBGISOIU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108010,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(C)c3)n2)ccn1,GWQOEHKBGISOIU,GWQOEHKBGISOIU-UHFFFAOYSA-N,"InChI=1S/C21H21ClFN3O/c1-13-9-16(3-4-18(13)22)21-25-20(15-5-7-24-14(2)10-15)19-6-8-27-17(11-23)12-26(19)21/h3-5,7,9-10,17H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:22,1,17,18,25,7,26,8,23,3,11,13,21,2,4,16,10,19,6,5,15,20,12,27,24,14,9/rA:27CCCCCCCCOCCFCNCCCCCClCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.450,7.45,0.0,0.0,1.0,7.45,0.0
-GWSANUOKNFPRAA_on_P31644_WT,High,ChEMBL30,CHEMBL3681453,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccncc2)no1,GWSANUOKNFPRAA,GWSANUOKNFPRAA-UHFFFAOYSA-N,"InChI=1S/C19H18N4O3/c1-12-16(18(23-26-12)13-6-8-20-9-7-13)11-25-17-5-2-14(10-21-17)19(24)22-15-3-4-15/h2,5-10,15H,3-4,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,14,15,7,20,24,21,23,16,4,2,19,9,13,3,6,18,10,22,17,12,25,11,5,26/E:(3,4)(6,7)(8,9)/rA:26CCCCOCCCCCONCCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-GWSPHFNZKHLAFX_on_O15399_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_O60391_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_Q05586_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_Q12879_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_Q13224_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWSPHFNZKHLAFX_on_Q14957_WT,Low,ChEMBL30,CHEMBL81678,N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1,GWSPHFNZKHLAFX,GWSPHFNZKHLAFX-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:9,17,8,16,10,18,5,13,6,14,4,12,2,7,15,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCICCCNCCCICCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GWWBWKAOHNTRJN_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836565;CHEMBL1830900,Cc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,GWWBWKAOHNTRJN,GWWBWKAOHNTRJN-UHFFFAOYSA-N,"InChI=1S/C15H15N5S/c1-9-4-2-7-13(17-9)18-15-19-14-10-8-16-20-11(10)5-3-6-12(14)21-15/h2,4,7-8H,3,5-6H2,1H3,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:1,20,11,21,12,10,19,15,2,14,13,9,4,8,6,16,3,5,7,17,18/rA:21CCNCNCNCCCCCCCCNNSCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.854;  6.850,6.852,0.002,0.002,2.0,6.852,0.002
-GWZLKOYBOFFDEB_on_P14867_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-GWZLKOYBOFFDEB_on_P18507_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660;  8.000;  7.300;  8.680,7.91,0.509,0.294,4.0,7.83,0.35
-GWZLKOYBOFFDEB_on_P28472_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680;  7.660;  8.000;  7.300,7.91,0.509,0.294,4.0,7.83,0.35
-GWZLKOYBOFFDEB_on_P31644_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-GWZLKOYBOFFDEB_on_P34903_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GWZLKOYBOFFDEB_on_P47869_WT,Low,ChEMBL30,CHEMBL175886,Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,GWZLKOYBOFFDEB,GWZLKOYBOFFDEB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-7-12-18(25-24-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)17-5-3-2-4-6-17/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,6,2,26,23,12,5,21,22,11,20,8,3,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-GXAKNKZUSRILPP_on_P41594_WT,High,ChEMBL30,CHEMBL428426,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccs2)n1,GXAKNKZUSRILPP,GXAKNKZUSRILPP-UHFFFAOYSA-N,"InChI=1S/C15H9F3N2S/c1-10-8-20-9-11(15(16,17)18)7-14(20)13(19-10)5-4-12-3-2-6-21-12/h2-3,6-9H,1H3","""AuxInfo=1/0/N:1,18,17,15,14,19,11,3,5,2,6,16,13,12,7,8,9,10,21,4,20/E:(16,17,18)/rA:21CCCNCCCFFFCCCCCCCCCSN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s16s19;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-GXCPDQPSBLIMLF_on_P41594_WT,High,ChEMBL30,CHEMBL2071579,Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C,GXCPDQPSBLIMLF,GXCPDQPSBLIMLF-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2/c1-12-6-7-17(8-13(12)2)24-11-15(10-18(24)25)20-22-19(23-26-20)14-4-3-5-16(21)9-14/h3-9,15H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,26,14,13,15,3,4,24,18,21,7,2,25,12,8,16,5,22,11,9,17,10,19,6,23,20/rA:26CCCCCNCCCNCCCCCCClCNOCCOCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s9s19;s8;s6s21;d22;s5;s2d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-GXCVAGOKZOYKBO_on_P41594_WT,High,ChEMBL30,CHEMBL3735720,CC(C)(C#N)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2,GXCVAGOKZOYKBO,GXCVAGOKZOYKBO-UHFFFAOYSA-N,"InChI=1S/C18H17FN6O/c1-18(2,10-20)25-15-8-5-12(9-14(15)22-24-25)17-21-16(23-26-17)11-3-6-13(19)7-4-11/h3-4,6-7,12H,5,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,23,12,19,22,11,26,4,17,13,20,9,10,16,14,2,21,5,15,8,24,7,6,25/E:(1,2)(3,4)(6,7)/rA:26CCCCNNNNCCCCCCNCCCCCFCCNOC/rB:s1;s2;s2;t4;s2;s6;d7;s8;s6d9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;d16;s14s24;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-GXENFXDWIWSPCB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL520639,CCOc1ccc(-c2ccc(CN3CC(C)OC3=O)cc2)cc1,GXENFXDWIWSPCB,GXENFXDWIWSPCB-UHFFFAOYSA-N,"InChI=1S/C19H21NO3/c1-3-22-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-20-12-14(2)23-19(20)21/h4-11,14H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,16,2,10,20,9,21,6,22,5,23,14,12,15,11,8,7,4,18,13,19,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCOCCCCCCCCCNCCCOCOCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;s15;s15;s13s17;d18;s11;s8d20;s7;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-GXFDZWWEFPOEGE_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL180186;11496256,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,GXFDZWWEFPOEGE,GXFDZWWEFPOEGE-UHFFFAOYSA-N,"InChI=1S/C23H22Cl2N4O2/c1-23(16-4-2-3-5-16)11-15-10-17(19(24)20(25)18(15)21(23)30)31-12-13-6-8-14(9-7-13)22-26-28-29-27-22/h6-10,16H,2-5,11-12H2,1H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,5,6,4,7,21,30,22,29,31,8,19,20,23,9,3,17,10,15,13,11,24,2,16,14,25,28,26,27,12,18/E:(2,3)(4,5)(6,7)(8,9)(26,27)(28,29)/rA:31CCCCCCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.650;  6.652,6.651,0.001,0.001,2.0,6.651,0.001
-GXFWOMYQHNODFA_on_O00591_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_O14764_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P14867_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P18505_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P18507_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P28472_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P31644_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P34903_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P47869_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P47870_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P48169_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_P78334_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_Q16445_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXFWOMYQHNODFA_on_Q99928_WT,Low,ChEMBL30,CHEMBL59190,c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1,GXFWOMYQHNODFA,GXFWOMYQHNODFA-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2","""AuxInfo=1/0/N:1,12,2,11,6,13,3,10,21,23,20,24,7,5,8,4,9,15,18,22,16,17,19,14/E:(9,10)(11,12)/rA:24CCCCCCCCCCCCCNCNNCNCCNCC/rB:d1;s2;d3;s4;s1d5;s5;s7;d8;s9;d10;s11;s8d12;s9;s4s14;d15;s16;s14d17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685367,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-GXHZJFOEDFUGMK_on_P41594_WT,High,ChEMBL30,CHEMBL253814,CC1(C)CCc2c(ccc(C#Cc3ccccc3)n2)C1=O,GXHZJFOEDFUGMK,GXHZJFOEDFUGMK-UHFFFAOYSA-N,"InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,9,8,5,4,13,10,7,6,20,2,19,21/E:(1,2)(4,5)(6,7)/rA:21CCCCCCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;s2s7;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;CHEMBL2345733,PMID:23333207,2013.0,PMID:23856046;PMID:23333207,2013,1,0,0,0,0,,=,  7.630;  7.700,7.665,0.035,0.035,2.0,7.665,0.035
-GXKGSEUULCEOTM_on_P14867_WT,Low,ChEMBL30,CHEMBL199690,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,GXKGSEUULCEOTM,GXKGSEUULCEOTM-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,27,17,20,28,21,22,23,1,16,18,26/E:(22,23,24)/rA:28NCCCCCCCCCCCCCCNCNCCFFFCCNCF/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-GXKGSEUULCEOTM_on_P18507_WT,Low,ChEMBL30,CHEMBL199690,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,GXKGSEUULCEOTM,GXKGSEUULCEOTM-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,27,17,20,28,21,22,23,1,16,18,26/E:(22,23,24)/rA:28NCCCCCCCCCCCCCCNCNCCFFFCCNCF/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864005;CHEMBL864002;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.030;  8.570;  8.590,8.73,0.212,0.15,3.0,8.59,0.02
-GXKGSEUULCEOTM_on_P28472_WT,Low,ChEMBL30,CHEMBL199690,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,GXKGSEUULCEOTM,GXKGSEUULCEOTM-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,27,17,20,28,21,22,23,1,16,18,26/E:(22,23,24)/rA:28NCCCCCCCCCCCCCCNCNCCFFFCCNCF/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL864002;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.590;  8.570;  9.030,8.73,0.212,0.15,3.0,8.59,0.02
-GXKGSEUULCEOTM_on_P31644_WT,Low,ChEMBL30,CHEMBL199690,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,GXKGSEUULCEOTM,GXKGSEUULCEOTM-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,27,17,20,28,21,22,23,1,16,18,26/E:(22,23,24)/rA:28NCCCCCCCCCCCCCCNCNCCFFFCCNCF/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-GXKGSEUULCEOTM_on_P34903_WT,Low,ChEMBL30,CHEMBL199690,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F,GXKGSEUULCEOTM,GXKGSEUULCEOTM-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H","""AuxInfo=1/0/N:5,6,11,4,7,10,12,24,25,2,15,3,8,9,13,14,19,27,17,20,28,21,22,23,1,16,18,26/E:(22,23,24)/rA:28NCCCCCCCCCCCCCCNCNCCFFFCCNCF/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-GXKOHQQCSSECNY_on_Q14416_WT,High,ChEMBL30,CHEMBL191579,CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc2c1ccn2CCC,GXKOHQQCSSECNY,GXKOHQQCSSECNY-UHFFFAOYSA-N,"InChI=1S/C25H31N5O2/c1-3-7-22-21-14-16-30(15-4-2)23(21)12-13-24(22)32-18-6-5-17-31-20-10-8-19(9-11-20)25-26-28-29-27-25/h8-14,16H,3-7,15,17-18H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,32,2,31,9,8,3,14,21,13,22,24,23,27,30,28,10,7,15,12,26,4,25,5,16,17,20,18,19,29,11,6/E:(8,9)(10,11)(26,27)(28,29)/rA:32CCCCCOCCCCOCCCCCNNNNCCCCCCCCNCCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s16d19;s15;s12d21;s5;d23;s24;s4d25;s26;d27;s25s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-GXLMDLJKUOQUDD_on_P14867_WT,Low,ChEMBL30,CHEMBL301104,Clc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,GXLMDLJKUOQUDD,GXLMDLJKUOQUDD-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-10-6-7-15(13-17)14-28-22-19-12-5-4-11-18(19)21-25-24-20(27(21)26-22)16-8-2-1-3-9-16/h1-13H,14H2","""AuxInfo=1/0/N:16,15,17,26,25,4,5,14,18,3,27,24,28,7,6,13,2,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(8,9)/rA:28ClCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GXLMDLJKUOQUDD_on_P31644_WT,Low,ChEMBL30,CHEMBL301104,Clc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,GXLMDLJKUOQUDD,GXLMDLJKUOQUDD-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-10-6-7-15(13-17)14-28-22-19-12-5-4-11-18(19)21-25-24-20(27(21)26-22)16-8-2-1-3-9-16/h1-13H,14H2","""AuxInfo=1/0/N:16,15,17,26,25,4,5,14,18,3,27,24,28,7,6,13,2,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(8,9)/rA:28ClCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GXLMDLJKUOQUDD_on_P34903_WT,Low,ChEMBL30,CHEMBL301104,Clc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,GXLMDLJKUOQUDD,GXLMDLJKUOQUDD-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-10-6-7-15(13-17)14-28-22-19-12-5-4-11-18(19)21-25-24-20(27(21)26-22)16-8-2-1-3-9-16/h1-13H,14H2","""AuxInfo=1/0/N:16,15,17,26,25,4,5,14,18,3,27,24,28,7,6,13,2,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(8,9)/rA:28ClCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GXLMDLJKUOQUDD_on_P47869_WT,Low,ChEMBL30,CHEMBL301104,Clc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,GXLMDLJKUOQUDD,GXLMDLJKUOQUDD-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-10-6-7-15(13-17)14-28-22-19-12-5-4-11-18(19)21-25-24-20(27(21)26-22)16-8-2-1-3-9-16/h1-13H,14H2","""AuxInfo=1/0/N:16,15,17,26,25,4,5,14,18,3,27,24,28,7,6,13,2,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(8,9)/rA:28ClCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GXNDHQVYOXLGFK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44403657;CHEMBL370879,C(#Cc1ccccn1)C1=CCC(Nc2ccc3ccccc3c2)CC1,GXNDHQVYOXLGFK,GXNDHQVYOXLGFK-UHFFFAOYSA-N,"InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2","""AuxInfo=1/0/N:19,20,5,6,18,21,4,1,10,25,16,2,11,24,15,7,23,9,17,22,3,12,14,8,13/rA:25CCCCCCCNCCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s12;s9s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255928;CHEMBL871882,PMID:16115767,2005.0,PubChemAID:255928;PMID:16115767,2010;2005,0;1,0,0,0,1;0,,=,  6.514;  6.510,6.5120000000000005,0.002,0.002,2.0,6.5120000000000005,0.002
-GXPHYMCBGKIIKN_on_P18507_WT,Low,ChEMBL30,CHEMBL577290,CCOC(=O)c1c2Cn3cnnc3-c3c(cccc3)-n2cn1,GXPHYMCBGKIIKN,GXPHYMCBGKIIKN-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,21,10,14,15,7,6,13,4,22,11,12,9,20,5,3/rA:22CCOCOCCCNCNNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-GXPHYMCBGKIIKN_on_P28472_WT,Low,ChEMBL30,CHEMBL577290,CCOC(=O)c1c2Cn3cnnc3-c3c(cccc3)-n2cn1,GXPHYMCBGKIIKN,GXPHYMCBGKIIKN-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,21,10,14,15,7,6,13,4,22,11,12,9,20,5,3/rA:22CCOCOCCCNCNNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-GXPHYMCBGKIIKN_on_P31644_WT,Low,ChEMBL30,CHEMBL577290,CCOC(=O)c1c2Cn3cnnc3-c3c(cccc3)-n2cn1,GXPHYMCBGKIIKN,GXPHYMCBGKIIKN-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,21,10,14,15,7,6,13,4,22,11,12,9,20,5,3/rA:22CCOCOCCCNCNNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-GXPIOIIKCASZKA_on_Q14833_WT,Low,ChEMBL30,CHEMBL558061,O=C(Nc1cc(Cl)ccc1)c1ccco1,GXPIOIIKCASZKA,GXPIOIIKCASZKA-UHFFFAOYSA-N,"InChI=1S/C11H8ClNO2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,(H,13,14)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,2,7,3,1,15/rA:15OCNCCCClCCCCCCCO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-GXQNTGVRQAAYQI_on_O15399_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.330;  6.110,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_O60391_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.110;  5.330,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.110;  5.330,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_Q05586_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.110;  5.330,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_Q12879_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.330;  6.110,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_Q13224_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.330;  6.110,5.72,0.39,0.39,2.0,5.72,0.39
-GXQNTGVRQAAYQI_on_Q14957_WT,Low,ChEMBL30,CHEMBL145406,O=C(O)C1CN(CCc2n[nH]nn2)CCN1,GXQNTGVRQAAYQI,GXQNTGVRQAAYQI-UHFFFAOYSA-N,"InChI=1S/C8H14N6O2/c15-8(16)6-5-14(4-2-9-6)3-1-7-10-12-13-11-7/h6,9H,1-5H2,(H,15,16)(H,10,11,12,13)","""AuxInfo=1/1/N:8,15,7,14,5,4,9,2,16,10,13,11,12,6,1,3/E:(10,11)(12,13)(15,16)/rA:16OCOCCNCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s6;s14;s4s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.110;  5.330,5.72,0.39,0.39,2.0,5.72,0.39
-GXRSOTZPZCTLQG_on_P41594_WT,High,ChEMBL30,CHEMBL1672438,Cc1cn(C)c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)n1,GXRSOTZPZCTLQG,GXRSOTZPZCTLQG-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N4/c1-10-9-22(2)16(20-10)11-7-14(18)15(19-8-11)21-13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,19,21)","""AuxInfo=1/1/N:1,5,15,18,14,19,8,21,3,2,7,16,13,9,11,6,17,10,20,22,12,4/E:(3,4)(5,6)/rA:22CCCNCCCCCClCNCCCCClCCNCN/rB:s1;d2;s3;s4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s7d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-GXSDAPSYIHOULQ_on_P41594_WT,High,ChEMBL30,CHEMBL2151474,Cc1ccc(C(=O)N2CC(c3nc(-c4cc(F)ccc4)no3)C2)cc1,GXSDAPSYIHOULQ,GXSDAPSYIHOULQ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-5-7-13(8-6-12)19(24)23-10-15(11-23)18-21-17(22-25-18)14-3-2-4-16(20)9-14/h2-9,15H,10-11H2,1H3","""AuxInfo=1/0/N:1,19,20,18,3,25,4,24,15,9,23,2,5,14,10,16,13,11,6,17,12,21,8,7,22/E:(5,6)(7,8)(10,11)/rA:25CCCCCCONCCCNCCCCFCCCNOCCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;s16;d16;s18;s14d19;d13;s11s21;s8s10;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-GXUSNZYZTBJMIT_on_O00591_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_O14764_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P14867_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P18505_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P18507_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P28472_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P31644_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P34903_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P47869_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P47870_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P48169_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_P78334_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_Q16445_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXUSNZYZTBJMIT_on_Q99928_WT,Low,ChEMBL30,CHEMBL56906,O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2,GXUSNZYZTBJMIT,GXUSNZYZTBJMIT-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-9-5-6-14-11(7-9)13(18)8-15(21-14)10-3-1-2-4-12(10)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,11,13,10,20,21,17,3,18,5,16,6,2,15,4,19,7,1,8,9,14/E:(19,20)/CRV:17.5/rA:21OCCCCCN+OO-CCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;d10;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-GXVFFGJODDZHQK_on_P41594_WT,High,ChEMBL30,CHEMBL2403648,Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)no1,GXVFFGJODDZHQK,GXVFFGJODDZHQK-UHFFFAOYSA-N,"InChI=1S/C19H15N3O2S/c1-13-11-16(21-24-13)19(23)22-10-9-15-17(12-22)25-18(20-15)8-7-14-5-3-2-4-6-14/h2-6,11H,9-10,12H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,16,15,9,8,3,12,2,17,10,4,11,14,5,23,24,7,6,25,13/E:(3,4)(5,6)/rA:25CCCCCONCCCCCSCCCCCCCCCNNO/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;d4;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-GXXQBFVRKDOADD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70687687;CHEMBL2022169,CCN1CCC(=O)N=C1NC(=O)Nc1cc(Cl)ccc1,GXXQBFVRKDOADD,GXXQBFVRKDOADD-UHFFFAOYSA-N,"InChI=1S/C13H15ClN4O2/c1-2-18-7-6-11(19)16-12(18)17-13(20)15-10-5-3-4-9(14)8-10/h3-5,8H,2,6-7H2,1H3,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:1,2,19,18,20,5,4,15,16,14,6,9,11,17,13,8,10,3,7,12/rA:20CCNCCCONCNCONCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s6;s3w?8;s9;s10;d11;s11;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  6.602;  6.600,6.601,0.001,0.001,2.0,6.601,0.001
-GXXRNNGNWUNPKZ_on_P41594_WT,High,ChEMBL30,CHEMBL361120,N#Cc1cccc(-c2cn(-c3ncccc3)cc2)c1,GXXRNNGNWUNPKZ,GXXRNNGNWUNPKZ-UHFFFAOYSA-N,"InChI=1S/C16H11N3/c17-11-13-4-3-5-14(10-13)15-7-9-19(12-15)16-6-1-2-8-18-16/h1-10,12H","""AuxInfo=1/0/N:15,14,5,4,6,16,18,13,17,19,2,9,3,7,8,11,1,12,10/rA:19NCCCCCCCCNCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-GXYIMPYRUIKXIS_on_P14867_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-GXYIMPYRUIKXIS_on_P18507_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677036;CHEMBL682711;CHEMBL680434;CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.600;  7.890;  7.820;  8.720,8.008,0.425,0.245,4.0,7.855,0.145
-GXYIMPYRUIKXIS_on_P28472_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672;CHEMBL682711;CHEMBL680434;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.720;  7.890;  7.820;  7.600,8.008,0.425,0.245,4.0,7.855,0.145
-GXYIMPYRUIKXIS_on_P31644_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-GXYIMPYRUIKXIS_on_P34903_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-GXYIMPYRUIKXIS_on_P47869_WT,Low,ChEMBL30,CHEMBL95541,CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,GXYIMPYRUIKXIS,GXYIMPYRUIKXIS-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,18,17,19,20,21,16,11,8,9,13,12,14,6,4,5,15,7,3/rA:21CCSCCCOCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-GXZSAQLJWLCLOX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL39372;CHEMBL444589;CHEMBL444589,NC(C(=O)O)c1cc(O)c(C(=O)O)cc1,GXZSAQLJWLCLOX,GXZSAQLJWLCLOX-UHFFFAOYSA-N,"InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:15,14,7,6,10,8,2,11,3,1,9,12,13,4,5/E:(12,13)(14,15)/rA:15NCCOOCCCOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;d11;s11;s10;s6d14;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120;CHEMBL820023;CHEMBL719076,PMID:7562903,1995.0,PMID:17489573;PMID:7562903;PMID:10893301,2007;1995;2000,1;1;0,0,0,0;0;1,0,,=,  4.400;  4.400;  4.520,4.44,0.057,0.04,3.0,4.4,0.0
-GXZSAQLJWLCLOX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL39372;CHEMBL444589;CHEMBL444589,NC(C(=O)O)c1cc(O)c(C(=O)O)cc1,GXZSAQLJWLCLOX,GXZSAQLJWLCLOX-UHFFFAOYSA-N,"InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:15,14,7,6,10,8,2,11,3,1,9,12,13,4,5/E:(12,13)(14,15)/rA:15NCCOOCCCOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;d11;s11;s10;s6d14;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL945121;CHEMBL818772;CHEMBL718215,PMID:7562903,1995.0,PMID:17489573;PMID:7562903;PMID:10893301,2007;1995;2000,0;1;0,1;0;0,0,0;0;1,0,,=,  4.320;  4.320;  4.700,4.447,0.179,0.127,3.0,4.32,0.0
-GYDJNYBORLJNBU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3949371,NC(=O)c1cc(-c2cn(C(F)F)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,GYDJNYBORLJNBU,GYDJNYBORLJNBU-UHFFFAOYSA-N,"InChI=1S/C20H18F5N5O2/c21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25/h1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31)","""AuxInfo=1/1/N:17,16,21,22,30,5,14,19,8,29,18,7,15,6,31,4,24,2,10,25,11,12,26,27,28,1,13,32,20,9,3,23/E:(21,22)(23,24,25)/rA:32NCOCCCCCNCFFNCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;s10;s10;s9;s7d13;d6;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;d18;s15s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-GYEOLWWSCDDCON_on_Q14416_WT,High,ChEMBL30,CHEMBL181648,CCCc1c(OCCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,GYEOLWWSCDDCON,GYEOLWWSCDDCON-UHFFFAOYSA-N,"InChI=1S/C23H28N4O4/c1-3-7-20-21(13-12-19(16(2)28)22(20)29)31-15-6-4-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,29H,3-7,14-15H2,1-2H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,28,2,9,10,8,3,15,22,14,23,25,24,11,7,27,16,13,26,4,5,30,17,18,21,19,20,29,31,12,6/E:(8,9)(10,11)(24,25)(26,27)/rA:31CCCCCOCCCCCOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-GYFJSDOHDHLNJB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL395644;44441362,CCOc1cccc2c1C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O,GYFJSDOHDHLNJB,GYFJSDOHDHLNJB-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3O4/c1-2-31-19-8-5-6-16-20(19)23(30)27(22(16)29)13-14-12-15(24)9-10-17(14)26-21(28)18-7-3-4-11-25-18/h3-12H,2,13H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,2,26,27,6,7,25,5,18,19,28,15,13,14,16,8,20,24,4,9,22,30,10,17,29,21,12,23,31,11,3/rA:31CCOCCCCCCCONCCCCClCCCNCOCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s10;s12;s13;d14;s15;s16;d16;s18;s14d19;s20;s21;d22;s22;d24;s25;d26;s27;s24d28;s8s12;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  6.550;  6.553,6.551,0.002,0.002,2.0,6.551,0.002
-GYGTYEDMBXHWDC_on_P41594_WT,High,ChEMBL30,CHEMBL1682834,CC(=O)N1CCOc2c1ncc(COc1ccccc1)c2,GYGTYEDMBXHWDC,GYGTYEDMBXHWDC-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-12(19)18-7-8-20-15-9-13(10-17-16(15)18)11-21-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,5,6,21,11,13,2,12,15,8,9,10,4,3,7,14/E:(3,4)(5,6)/rA:21CCONCCOCCNCCCOCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.150;  6.150,6.15,0.0,0.0,2.0,6.15,0.0
-GYJOUHWOHJBKBT_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799419,CCNC(=O)c1c(C)sc2nc(Cc3cc(C(F)(F)F)ccc3)cc(=O)n12,GYJOUHWOHJBKBT,GYJOUHWOHJBKBT-UHFFFAOYSA-N,"InChI=1S/C18H16F3N3O2S/c1-3-22-16(26)15-10(2)27-17-23-13(9-14(25)24(15)17)8-11-5-4-6-12(7-11)18(19,20)21/h4-7,9H,3,8H2,1-2H3,(H,22,26)","""AuxInfo=1/1/N:1,8,2,22,23,21,15,13,24,7,14,16,12,25,6,4,10,17,18,19,20,3,11,27,26,5,9/E:(19,20,21)/rA:27CCNCOCCCSCNCCCCCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;s17;s17;s17;d16;s21;s14d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-GYJOUHWOHJBKBT_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799419,CCNC(=O)c1c(C)sc2nc(Cc3cc(C(F)(F)F)ccc3)cc(=O)n12,GYJOUHWOHJBKBT,GYJOUHWOHJBKBT-UHFFFAOYSA-N,"InChI=1S/C18H16F3N3O2S/c1-3-22-16(26)15-10(2)27-17-23-13(9-14(25)24(15)17)8-11-5-4-6-12(7-11)18(19,20)21/h4-7,9H,3,8H2,1-2H3,(H,22,26)","""AuxInfo=1/1/N:1,8,2,22,23,21,15,13,24,7,14,16,12,25,6,4,10,17,18,19,20,3,11,27,26,5,9/E:(19,20,21)/rA:27CCNCOCCCSCNCCCCCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;s17;s17;s17;d16;s21;s14d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-GYLQALWWVWBMCV_on_Q14833_WT,High,ChEMBL30,CHEMBL2022869,Fc1c(-n2cc(-c3ccnc4c3cccc4)cn2)cccc1,GYLQALWWVWBMCV,GYLQALWWVWBMCV-UHFFFAOYSA-N,InChI=1S/C18H12FN3/c19-16-6-2-4-8-18(16)22-12-13(11-21-22)14-9-10-20-17-7-3-1-5-15(14)17/h1-12H,"""AuxInfo=1/0/N:14,21,15,20,13,22,16,19,8,9,17,5,6,7,12,2,11,3,1,10,18,4/rA:22FCCNCCCCCNCCCCCCCNCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;s6;s4d17;s3;d19;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-GYQFNGUZPFMLGJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800532,CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(F)cc1,GYQFNGUZPFMLGJ,GYQFNGUZPFMLGJ-UHFFFAOYSA-N,"InChI=1S/C15H15FN4OS/c1-3-19(13-6-4-11(16)5-7-13)9-12-8-14(21)20-15(17-12)22-10(2)18-20/h4-8H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,12,2,18,21,17,22,6,4,11,19,5,16,7,14,20,15,10,3,9,8,13/E:(4,5)(6,7)/rA:22CCNCCCCONNCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-GYQFNGUZPFMLGJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800532,CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(F)cc1,GYQFNGUZPFMLGJ,GYQFNGUZPFMLGJ-UHFFFAOYSA-N,"InChI=1S/C15H15FN4OS/c1-3-19(13-6-4-11(16)5-7-13)9-12-8-14(21)20-15(17-12)22-10(2)18-20/h4-8H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,12,2,18,21,17,22,6,4,11,19,5,16,7,14,20,15,10,3,9,8,13/E:(4,5)(6,7)/rA:22CCNCCCCONNCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-GYQGANCCASNKIV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114912,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(C)(F)F,GYQGANCCASNKIV,GYQGANCCASNKIV-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-14-11-16(7-9-26-14)21-19-8-10-30-15(2)13-28(19)22(27-21)17-5-6-18(23(3,24)25)20(12-17)29-4/h5-7,9,11-12,15H,8,10,13H2,1-4H3","""AuxInfo=1/0/N:14,21,28,1,24,25,10,17,11,18,15,4,22,13,20,9,5,26,16,3,8,6,27,29,30,12,7,23,2,19/E:(24,25)/rA:30COCCCCNCCCCNCCCCCCOCCCNCCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-GYTGQPOZNMTILO_on_P41594_WT,High,ChEMBL30,CHEMBL198145,CCOc1cc(-c2ccc(C)cc2)cnc1Nc1nc(C)ccc1,GYTGQPOZNMTILO,GYTGQPOZNMTILO-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-4-24-18-12-17(16-10-8-14(2)9-11-16)13-21-20(18)23-19-7-5-6-15(3)22-19/h5-13H,4H2,1-3H3,(H,21,22,23)","""AuxInfo=1/1/N:1,11,21,2,23,22,24,9,12,8,13,5,14,10,20,7,6,4,18,16,15,19,17,3/E:(8,9)(10,11)/rA:24CCOCCCCCCCCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;s4d15;s16;s17;d18;s19;s20;d20;s22;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-GYVJOZFXJPKNSE_on_Q13255_WT,High,ChEMBL30,CHEMBL2418356,N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cccn1,GYVJOZFXJPKNSE,GYVJOZFXJPKNSE-UHFFFAOYSA-N,"InChI=1S/C23H28N4O/c24-10-20-21(2-1-3-25-20)26-11-18-13-27(14-19(18)12-26)22(28)23-7-15-4-16(8-23)6-17(5-15)9-23/h1-3,15-19H,4-9,11-14H2","""AuxInfo=1/0/N:26,25,27,15,17,19,21,13,20,2,6,24,8,22,16,14,18,7,23,3,4,10,12,1,28,5,9,11/E:(4,5,6)(7,8,9)(11,12)(13,14)(15,16,17)(18,19)/rA:28NCCCNCCCNCOCCCCCCCCCCCCCCCCN/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;s9;s7s22;s5s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  6.260;  6.260,6.26,0.0,0.0,2.0,6.26,0.0
-GYWGXEGOXODOQU_on_P41594_WT,High,ChEMBL30,CHEMBL386565,CN(C)c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O,GYWGXEGOXODOQU,GYWGXEGOXODOQU-UHFFFAOYSA-N,"InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,9,8,17,22,14,4,5,12,11,6,23,7,13,2,16,15,24,10/E:(1,2)(3,4)(5,6)(9,10)/rA:24CNCCCCNCCSCCNCNNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-GYWGXEGOXODOQU_on_Q13255_WT,High,ChEMBL30,CHEMBL386565,CN(C)c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O,GYWGXEGOXODOQU,GYWGXEGOXODOQU-UHFFFAOYSA-N,"InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,9,8,17,22,14,4,5,12,11,6,23,7,13,2,16,15,24,10/E:(1,2)(3,4)(5,6)(9,10)/rA:24CNCCCCNCCSCCNCNNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-GZAWQUKOOKUFPH_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023467,CN(C)CCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,GZAWQUKOOKUFPH,GZAWQUKOOKUFPH-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-25(2)12-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-26(16-17)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,8,9,23,24,4,5,27,22,13,12,15,7,11,10,26,25,21,2,14,6/E:(1,2)(4,5)(6,7)/rA:27CNCCCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;d11;s23;d24;s10s25;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-GZFUZKBKBLJQLQ_on_P14867_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-GZFUZKBKBLJQLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-GZFUZKBKBLJQLQ_on_P28472_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-GZFUZKBKBLJQLQ_on_P31644_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-GZFUZKBKBLJQLQ_on_P34903_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-GZFUZKBKBLJQLQ_on_P47869_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-GZFUZKBKBLJQLQ_on_P48169_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-GZFUZKBKBLJQLQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261630,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,GZFUZKBKBLJQLQ,GZFUZKBKBLJQLQ-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O3/c24-23(25,26)12-32-22(31)19-20-18-7-4-10-28(18)21(30)16-11-15(14-5-2-1-3-6-14)8-9-17(16)29(20)13-27-19/h1-3,5-6,8-9,11,13,18H,4,7,10,12H2","""AuxInfo=1/0/N:26,25,27,13,24,28,12,21,20,14,29,4,31,23,22,18,19,11,9,10,16,2,5,6,7,8,32,15,30,17,1,3/E:(2,3)(5,6)(24,25,26)/rA:32OCOCCFFFCCCCCCNCOCCCCCCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;d23;s24;d25;s26;s23d27;s18d22;s10s19;s30;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-GZGLGVQROXSNSN_on_P14867_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165;CHEMBL676827;CHEMBL676825,PMID:8627617,1996.0,PMID:10633039;PMID:9767648;PMID:14667209;PMID:8627617,2000;1998;2003;1996,0,0,0,1,0,,=,  6.920;  6.920;  6.920;  6.920,6.92,0.0,0.0,4.0,6.92,0.0
-GZGLGVQROXSNSN_on_P18507_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678742;CHEMBL685338;CHEMBL681248;CHEMBL678329;CHEMBL683047;CHEMBL682251;CHEMBL683045;CHEMBL678746;CHEMBL681840;CHEMBL678740;CHEMBL677845;CHEMBL676825;CHEMBL676827;CHEMBL822165;CHEMBL824296;CHEMBL682646;CHEMBL823916;CHEMBL677846;CHEMBL681480,PMID:8627617,1996.0,PMID:14667209;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:14667209;PMID:8627617;PMID:8627617;PMID:8627617;PMID:8627617;PMID:14667209;PMID:9767648;PMID:9767648;PMID:14667209;PMID:9767648;PMID:14667209;PMID:10633039,2003;1998;2000;2000;1998;2000;2000;2003;1996;1996;1996;1996;2003;1998;1998;2003;1998;2003;2000,0,0,0,1,0,,=,  6.800;  8.300;  6.850;  6.920;  6.940;  6.700;  6.940;  8.300;  6.850;  6.700;  6.940;  6.920;  6.920;  6.920;  6.850;  6.850;  6.700;  6.940;  8.300,7.086,0.532,0.125,19.0,6.92,0.07
-GZGLGVQROXSNSN_on_P28472_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL677846;CHEMBL678746;CHEMBL682646;CHEMBL678742;CHEMBL676827;CHEMBL682251;CHEMBL685338;CHEMBL683045;CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL683047,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:14667209;PMID:14667209;PMID:14667209;PMID:14667209;PMID:14667209;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648,1998;1998;1998;2003;2003;2003;2003;2003;2000;1998;2000;2000;2000;2000;1998,0,0,0,1,0,,=,  6.700;  6.850;  6.920;  6.940;  8.300;  6.850;  6.800;  6.920;  6.700;  8.300;  6.940;  6.920;  6.850;  8.300;  6.940,7.149,0.581,0.155,15.0,6.92,0.07
-GZGLGVQROXSNSN_on_P31644_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678746;CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:14667209;PMID:9767648;PMID:10633039,2003;1998;2000,0,0,0,1,0,,=,  8.300;  8.300;  8.300,8.3,0.0,0.0,3.0,8.3,0.0
-GZGLGVQROXSNSN_on_P34903_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL678740;CHEMBL823916,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  6.700;  6.700;  6.700,6.7,0.0,0.0,3.0,6.7,0.0
-GZGLGVQROXSNSN_on_P47869_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL681840;CHEMBL682646;CHEMBL824296,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:14667209;PMID:9767648,2000;1996;2003;1998,0,0,0,1,0,,=,  6.850;  6.850;  6.850;  6.850,6.85,0.0,0.0,4.0,6.85,0.0
-GZGLGVQROXSNSN_on_P47870_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677845;CHEMBL678740;CHEMBL676825;CHEMBL681840,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  6.940;  6.700;  6.920;  6.850,6.853,0.094,0.054000000000000006,4.0,6.885,0.045
-GZGLGVQROXSNSN_on_P48169_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678742,PMID:14667209,2003.0,PMID:14667209,2003,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-GZGLGVQROXSNSN_on_Q16445_WT,Low,ChEMBL30,CHEMBL59181,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,GZGLGVQROXSNSN,GZGLGVQROXSNSN-UHFFFAOYSA-N,"InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3","""AuxInfo=1/0/N:1,10,21,22,23,2,16,15,18,19,24,8,26,17,13,14,7,6,11,4,27,9,25,12,5,3,20/E:(3,4,5)/rA:27CCOCOCCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s19;s20;s20;s20;s13d17;s7s14;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL677846;CHEMBL677845;CHEMBL683047;CHEMBL683045,PMID:8627617,1996.0,PMID:14667209;PMID:8627617;PMID:9767648;PMID:10633039,2003;1996;1998;2000,0,0,0,1,0,,=,  6.940;  6.940;  6.940;  6.940,6.94,0.0,0.0,4.0,6.94,0.0
-GZHRZQIKHYTBFX_on_O00591_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_O14764_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P14867_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P18505_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P18507_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P28472_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P31644_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P34903_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P41594_WT,High,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  6.790;  7.160,6.975,0.185,0.185,2.0,6.975,0.185
-GZHRZQIKHYTBFX_on_P47869_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P47870_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P48169_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_P78334_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZHRZQIKHYTBFX_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410207,C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1,GZHRZQIKHYTBFX,GZHRZQIKHYTBFX-UHFFFAOYSA-N,"InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2","""AuxInfo=1/0/N:19,18,20,10,11,17,21,9,12,1,2,5,14,16,3,8,4,7,15,13,6/E:(2,3)(6,7)/rA:21CCCCCOCCCCCCNCNCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4s8;s13;s3d14;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-GZJLRCHZMNNGMN_on_P31644_WT,High,ChEMBL30,CHEMBL3676482,Cc1c(COc2ccc(C(=O)NC3CCCCC3)cn2)c(-c2ccccc2)no1,GZJLRCHZMNNGMN,GZJLRCHZMNNGMN-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-16-20(22(26-29-16)17-8-4-2-5-9-17)15-28-21-13-12-18(14-24-21)23(27)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,25,16,24,26,15,17,23,27,14,18,8,7,19,4,2,22,9,13,3,6,21,10,20,12,28,11,5,29/E:(4,5)(6,7)(8,9)(10,11)/rA:29CCCCOCCCCCONCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-GZMAYKNZWRXMFO_on_P14867_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GZMAYKNZWRXMFO_on_P18507_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600;  7.640,7.12,0.52,0.52,2.0,7.12,0.52
-GZMAYKNZWRXMFO_on_P28472_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600;  7.640,7.12,0.52,0.52,2.0,7.12,0.52
-GZMAYKNZWRXMFO_on_P31644_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-GZMAYKNZWRXMFO_on_P34903_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-GZMAYKNZWRXMFO_on_P47869_WT,Low,ChEMBL30,CHEMBL179664,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1,GZMAYKNZWRXMFO,GZMAYKNZWRXMFO-UHFFFAOYSA-N,"InChI=1S/C25H21N5OS/c1-2-6-17(7-3-1)23-27-28-24-21-15-10-12-16(13-11-15)22(21)25(29-30(23)24)31-14-20-26-18-8-4-5-9-19(18)32-20/h1-9,15-16H,10-14H2","""AuxInfo=1/0/N:1,2,32,20,19,3,31,21,18,27,29,26,30,13,28,25,4,16,17,14,9,10,5,8,11,15,6,7,23,24,12,22/E:(2,3)(6,7)(10,11)(12,13)/rA:32CCCCCNNCCCCOCCNCCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-GZOVEPYOCJWRFC_on_O00222_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-GZOVEPYOCJWRFC_on_O15303_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-GZOVEPYOCJWRFC_on_P41594_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-GZOVEPYOCJWRFC_on_Q13255_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-GZOVEPYOCJWRFC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718216;CHEMBL717757,PMID:7738999,1995.0,PMID:10893301;PMID:7738999,2000;1995,0,0;1,0,1;0,0,,=,  6.310;  6.420,6.365,0.055,0.055,2.0,6.365,0.055
-GZOVEPYOCJWRFC_on_Q14831_WT,Low,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.638,3.638,0.0,0.0,1.0,3.638,0.0
-GZOVEPYOCJWRFC_on_Q14832_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-GZOVEPYOCJWRFC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL280563,NC(C(=O)O)C1CC1C(=O)O,GZOVEPYOCJWRFC,GZOVEPYOCJWRFC-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:7,6,8,2,9,3,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-GZPJZUILYCOUHJ_on_P14867_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-GZPJZUILYCOUHJ_on_P18507_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.060;  7.170;  7.480;  8.040,7.438,0.38,0.22,4.0,7.325,0.21
-GZPJZUILYCOUHJ_on_P28472_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.060;  7.170;  8.040;  7.480,7.438,0.38,0.22,4.0,7.325,0.21
-GZPJZUILYCOUHJ_on_P31644_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-GZPJZUILYCOUHJ_on_P34903_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-GZPJZUILYCOUHJ_on_P47869_WT,Low,ChEMBL30,CHEMBL361597,c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1,GZPJZUILYCOUHJ,GZPJZUILYCOUHJ-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-7-9-15(10-8-14)19(18)22(27-28(20)21)29-13-17-23-11-4-12-24-17/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,29,17,3,28,24,26,23,27,16,18,13,25,22,4,14,9,10,5,8,11,15,19,6,7,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(23,24)/rA:29CCCCCNNCCCCOCCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-GZPRAHBIWSNPMM_on_Q14833_WT,High,ChEMBL30,CHEMBL1672236,COc1cc(NC(=O)c2ncncc2)ccc1NC(=O)c1ccccc1Cl,GZPRAHBIWSNPMM,GZPRAHBIWSNPMM-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-8-9-21-11-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,23,24,22,25,15,16,14,13,4,11,5,21,26,17,9,3,19,7,27,12,10,6,18,20,8,2/rA:27COCCCNCOCNCNCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-GZQCCALSGWJNEW_on_P41594_WT,Medium,ChEMBL30,CHEMBL4109684,O=C1OCC2CCCC2N1c1ccc(C#Cc2ccccc2)cn1,GZQCCALSGWJNEW,GZQCCALSGWJNEW-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c23-20-22(18-8-4-7-17(18)14-24-20)19-12-11-16(13-21-19)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-13,17-18H,4,7-8,14H2","""AuxInfo=1/0/N:20,19,21,7,18,22,6,8,16,15,13,12,23,4,17,14,5,9,11,2,24,10,1,3/E:(2,3)(5,6)/rA:24OCOCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887765,PATENT:US9221802B2,2015.0,PATENT:US9221802B2,2015,0,1,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-GZWNMOXEJQPPQC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953157,COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1,GZWNMOXEJQPPQC,GZWNMOXEJQPPQC-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,9,14,19,15,18,10,7,27,20,5,28,8,6,13,16,11,12,26,21,22,3,17,23,4,29,25,24,2/E:(3,4)(5,6)(11,12)(25,26)/rA:29COCNCCCCCCCCCCCCFCCCCCNONCCCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  7.850,7.925,0.075,0.075,2.0,7.925,0.075
-GZYXKOMOCPXRKT_on_Q14833_WT,High,ChEMBL30,CHEMBL3609732,COc1c(I)ccc(NC(=O)c2ncccc2)c1,GZYXKOMOCPXRKT,GZYXKOMOCPXRKT-UHFFFAOYSA-N,"InChI=1S/C13H11IN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,16,15,17,7,6,14,18,8,4,12,3,10,5,13,9,11,2/rA:18COCCICCCNCOCNCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  6.840;  6.840,6.84,0.0,0.0,2.0,6.84,0.0
-GZZWOVOSKRZICU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL382715;11220495,CCOc1cc(-c2ncccc2)cnc1Nc1nc(C)ccc1,GZZWOVOSKRZICU,GZZWOVOSKRZICU-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-3-23-16-11-14(15-8-4-5-10-19-15)12-20-18(16)22-17-9-6-7-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,20,2,11,10,22,21,12,23,9,5,13,19,6,7,4,17,15,8,14,18,16,3/rA:23CCOCCCCNCCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s4d14;s15;s16;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.710;  6.714,6.712000000000001,0.002,0.002,2.0,6.712000000000001,0.002
-HABFYJXTDIIMQC_on_Q13255_WT,High,ChEMBL30,CHEMBL3785267,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)CCc4c3cccc4)cc2)occ1,HABFYJXTDIIMQC,HABFYJXTDIIMQC-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O3/c1-13-10-11-27-20(13)21(26)23-15-7-8-18(16(22)12-15)24-17-5-3-2-4-14(17)6-9-19(24)25/h2-5,7-8,10-12H,6,9H2,1H3,(H,23,26)","""AuxInfo=1/1/N:1,21,20,22,19,16,24,23,15,27,26,8,2,17,7,9,18,11,13,3,4,10,6,12,14,5,25/rA:27CCCCONCCCClCNCOCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s12d17;s18;d19;s20;s17d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.890;  5.880,5.885,0.005,0.005,2.0,5.885,0.005
-HACWFGRHLNPBMM_on_O15399_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_O60391_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_Q05586_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_Q12879_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_Q13224_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWFGRHLNPBMM_on_Q14957_WT,Low,ChEMBL30,CHEMBL44260,CCc1c(CC)cc2nc(O)c(O)nc2c1,HACWFGRHLNPBMM,HACWFGRHLNPBMM-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-3-7-5-9-10(6-8(7)4-2)14-12(16)11(15)13-9/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:1,6,2,5,16,7,3,4,15,8,12,10,14,9,13,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16CCCCCCCCNCOCONCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s10;s12;d12;s8s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HACWSZJCCKJLHH_on_P41594_WT,High,ChEMBL30,CHEMBL3644415,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1nc(F)cnc1)ccc3,HACWSZJCCKJLHH,HACWSZJCCKJLHH-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,28,26,3,13,7,10,17,21,16,22,9,15,24,5,2,25,27,4,8,23,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCNCFCNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HACWSZJCCKJLHH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644415,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1nc(F)cnc1)ccc3,HACWSZJCCKJLHH,HACWSZJCCKJLHH-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-21-10-25-9-18(28-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(26-11-23(30)31)29-12-19(27-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,28,26,3,13,7,10,17,21,16,22,9,15,24,5,2,25,27,4,8,23,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCNCFCNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-HADYUWDMEOWLFF_on_P41594_WT,Low,ChEMBL30,CHEMBL214094,COc1cccc(OCC#Cc2nccs2)c1,HADYUWDMEOWLFF,HADYUWDMEOWLFF-UHFFFAOYSA-N,"InChI=1S/C13H11NO2S/c1-15-11-4-2-5-12(10-11)16-8-3-6-13-14-7-9-17-13/h2,4-5,7,9-10H,8H2,1H3","""AuxInfo=1/0/N:1,5,10,4,6,11,14,9,15,17,3,7,12,13,2,8,16/rA:17COCCCCCOCCCCNCCSC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s12s15;s3d7;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HAEBUCVVJXTEGX_on_P41594_WT,Medium,ChEMBL30,CHEMBL4114928,O=C1OC2CCCC2N1c1ccc(C#Cc2cccnc2)cn1,HAEBUCVVJXTEGX,HAEBUCVVJXTEGX-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2/c22-18-21(15-4-1-5-16(15)23-18)17-9-8-14(12-20-17)7-6-13-3-2-10-19-11-13/h2-3,8-12,15-16H,1,4-5H2","""AuxInfo=1/0/N:6,18,17,7,5,15,14,12,11,19,21,22,16,13,8,4,10,2,20,23,9,1,3/rA:23OCOCCCCCNCCCCCCCCCCNCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-HAHDKXDDOBLEEH_on_P14867_WT,Low,ChEMBL30,CHEMBL383467,COc1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,HAHDKXDDOBLEEH,HAHDKXDDOBLEEH-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-6-8(2-4-17-11)9-7-18-12-19-10(13(14,15)16)3-5-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,6,18,5,19,21,9,7,8,13,3,11,14,15,16,17,4,10,12,20,2/E:(14,15,16)/rA:21COCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HAHDKXDDOBLEEH_on_P18507_WT,Low,ChEMBL30,CHEMBL383467,COc1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,HAHDKXDDOBLEEH,HAHDKXDDOBLEEH-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-6-8(2-4-17-11)9-7-18-12-19-10(13(14,15)16)3-5-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,6,18,5,19,21,9,7,8,13,3,11,14,15,16,17,4,10,12,20,2/E:(14,15,16)/rA:21COCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HAHDKXDDOBLEEH_on_P28472_WT,Low,ChEMBL30,CHEMBL383467,COc1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,HAHDKXDDOBLEEH,HAHDKXDDOBLEEH-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-6-8(2-4-17-11)9-7-18-12-19-10(13(14,15)16)3-5-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,6,18,5,19,21,9,7,8,13,3,11,14,15,16,17,4,10,12,20,2/E:(14,15,16)/rA:21COCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HAHDKXDDOBLEEH_on_P34903_WT,Low,ChEMBL30,CHEMBL383467,COc1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,HAHDKXDDOBLEEH,HAHDKXDDOBLEEH-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-6-8(2-4-17-11)9-7-18-12-19-10(13(14,15)16)3-5-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,6,18,5,19,21,9,7,8,13,3,11,14,15,16,17,4,10,12,20,2/E:(14,15,16)/rA:21COCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-HAJLDSVGYSQWEY_on_P41594_WT,High,ChEMBL30,CHEMBL3639545,CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1,HAJLDSVGYSQWEY,HAJLDSVGYSQWEY-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N5O/c1-24(14-8-20-10-21-9-14)13-6-15(19)22-16(7-13)23-17(25)11-3-2-4-12(18)5-11/h2-10H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,20,19,21,24,10,25,4,8,6,18,22,9,3,11,14,16,23,12,5,7,13,15,2,17/E:(8,9)(20,21)/rA:25CNCCNCNCCCCClNCNCOCCCCCClCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d11;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.900;  6.160,6.03,0.13,0.13,2.0,6.03,0.13
-HAKWVAGTNKSIMK_on_Q14833_WT,High,ChEMBL30,CHEMBL1209437,Sc1nccc(C=Cc2ccccc2)n1,HAKWVAGTNKSIMK,HAKWVAGTNKSIMK-UHFFFAOYSA-N,"InChI=1S/C12H10N2S/c15-12-13-9-8-11(14-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)","""AuxInfo=1/1/N:12,11,13,10,14,8,7,5,4,9,6,2,3,15,1/E:(2,3)(4,5)/rA:15SCNCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-HAPVHUPVAOOCOS_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46215876;CHEMBL2152116,N#Cc1c(-c2cc3c([nH]cc3)c(Cl)c2)ccn2c(CC(F)(F)F)cnc12,HAPVHUPVAOOCOS,HAPVHUPVAOOCOS-UHFFFAOYSA-N,"InChI=1S/C18H10ClF3N4/c19-15-6-11(5-10-1-3-24-16(10)15)13-2-4-26-12(7-18(20,21)22)9-25-17(26)14(13)8-23/h1-6,9,24H,7H2","""AuxInfo=1/0/N:11,15,10,16,6,14,19,2,24,7,5,18,4,3,12,8,26,20,13,21,22,23,1,9,25,17/E:(20,21,22)/rA:26NCCCCCCCNCCCClCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s7d10;s8;s12;s5d12;s4;d15;s16;s17;s18;s19;s20;s20;s20;d18;s24;s3s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:691032;CHEMBL2156244,PMID:22352782,2012.0,PubChemAID:691032;PMID:22352782,2013;2012,0,0;1,0,0,1;0,,=,  6.495;  6.500,6.497999999999999,0.002,0.002,2.0,6.497999999999999,0.002
-HARJKKLNULHFFS_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53388193;CHEMBL1830909,OCc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,HARJKKLNULHFFS,HARJKKLNULHFFS-UHFFFAOYSA-N,"InChI=1S/C15H15N5OS/c21-8-9-3-1-6-13(17-9)18-15-19-14-10-7-16-20-11(10)4-2-5-12(14)22-15/h1,3,6-7,21H,2,4-5,8H2,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:21,12,22,13,11,20,16,2,3,15,14,10,5,9,7,17,4,6,8,18,1,19/rA:22OCCNCNCNCCCCCCCCNNSCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.569;  5.570,5.569,0.001,0.001,2.0,5.569,0.001
-HARMZUHRUKGCNG_on_P14867_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HARMZUHRUKGCNG_on_P18507_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058332;CHEMBL3058329;CHEMBL3058330;CHEMBL3058331;CHEMBL3058328;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.520;  6.460;  6.770;  6.760;  8.080;  6.500,6.848,0.564,0.252,6.0,6.64,0.135
-HARMZUHRUKGCNG_on_P28472_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058327;CHEMBL3058328;CHEMBL3058331;CHEMBL3058329;CHEMBL3058332;CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.500;  8.080;  6.760;  6.460;  6.520;  6.770,6.848,0.564,0.252,6.0,6.64,0.135
-HARMZUHRUKGCNG_on_P31644_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-HARMZUHRUKGCNG_on_P34903_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-HARMZUHRUKGCNG_on_P47869_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-HARMZUHRUKGCNG_on_P48169_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-HARMZUHRUKGCNG_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261634,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21,HARMZUHRUKGCNG,HARMZUHRUKGCNG-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O3/c1-2-11-5-6-13-12(8-11)17(26)24-7-3-4-14(24)16-15(23-10-25(13)16)18(27)28-9-19(20,21)22/h1,5-6,8,10,14H,3-4,7,9H2","""AuxInfo=1/0/N:1,2,13,14,4,5,12,8,21,27,3,7,6,15,17,16,9,18,22,23,24,25,26,11,28,10,19,20/E:(20,21,22)/rA:28CCCCCCCCCONCCCCCCCOOCCFFFNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s22;s22;s22;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-HARRKNSQXBRBGZ_on_O14764_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856;CHEMBL4219565,PMID:28606760,2017.0,PMID:28753313;PMID:28606760,2017,0,1,0,0,0,,=,  6.520;  6.790,6.655,0.135,0.135,2.0,6.655,0.135
-HARRKNSQXBRBGZ_on_P14867_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854;CHEMBL4219566,PMID:28606760,2017.0,PMID:28753313;PMID:28606760,2017,0,1,0,0,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-HARRKNSQXBRBGZ_on_P18507_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4219566;CHEMBL4040854,PMID:28606760,2017.0,PMID:28606760;PMID:28753313,2017,0,1,0,0,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-HARRKNSQXBRBGZ_on_P28472_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HARRKNSQXBRBGZ_on_P47870_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854;CHEMBL4219566;CHEMBL4219565,PMID:28606760,2017.0,PMID:28753313;PMID:28606760;PMID:28606760,2017,0,1,0,0,0,,=,  6.430;  6.430;  6.790,6.55,0.17,0.12,3.0,6.43,0.0
-HARRKNSQXBRBGZ_on_P48169_WT,Low,ChEMBL30,CHEMBL4105630,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,HARRKNSQXBRBGZ,HARRKNSQXBRBGZ-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,23,25,21,19,22,7,6,11,10,29,16,17,2,14,24,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;t23;s22;s20d25;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856;CHEMBL4219565,PMID:28606760,2017.0,PMID:28753313;PMID:28606760,2017,0,1,0,0,0,,=,  6.520;  6.790,6.655,0.135,0.135,2.0,6.655,0.135
-HATOWBRXVGEEIN_on_P14867_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-HATOWBRXVGEEIN_on_P18507_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.430;  6.730,7.08,0.35,0.35,2.0,7.08,0.35
-HATOWBRXVGEEIN_on_P28472_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.430;  6.730,7.08,0.35,0.35,2.0,7.08,0.35
-HATOWBRXVGEEIN_on_P31644_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-HATOWBRXVGEEIN_on_P34903_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HATOWBRXVGEEIN_on_P47869_WT,Low,ChEMBL30,CHEMBL72357,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1,HATOWBRXVGEEIN,HATOWBRXVGEEIN-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2S2/c1-7-15-12(18-16-7)11-8-5-14(2,3)6-9(17)10(8)13(19-4)20-11/h5-6H2,1-4H3","""AuxInfo=1/0/N:17,9,10,1,11,7,16,12,5,4,13,14,3,8,15,18,6,19,2,20/E:(2,3)/rA:20CSCCCOCCCCCCCCNCCNOS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;d16;s14s18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-HATXMKFRRQUAFD_on_Q13255_WT,High,ChEMBL30,CHEMBL3628109,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)occ1,HATXMKFRRQUAFD,HATXMKFRRQUAFD-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,28,27,25,18,2,7,14,23,10,15,3,4,12,16,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.610;  7.610,7.61,0.0,0.0,2.0,7.61,0.0
-HATXMKFRRQUAFD_on_Q14833_WT,High,ChEMBL30,CHEMBL3628109,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)occ1,HATXMKFRRQUAFD,HATXMKFRRQUAFD-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,28,27,25,18,2,7,14,23,10,15,3,4,12,16,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  6.210;  6.210,6.21,0.0,0.0,2.0,6.21,0.0
-HAUHCOWYHOWKQO_on_Q14833_WT,High,ChEMBL30,CHEMBL4101095,COCCOc1ccc2c(=NO)cc(-c3ncc4ccccc4c3)oc2c1,HAUHCOWYHOWKQO,HAUHCOWYHOWKQO-UHFFFAOYSA-N,"InChI=1S/C21H18N2O4/c1-25-8-9-26-16-6-7-17-18(23-24)12-21(27-20(17)11-16)19-10-14-4-2-3-5-15(14)13-22-19/h2-7,10-13,24H,8-9H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,7,8,3,4,24,27,13,17,23,18,6,9,10,15,26,14,16,11,12,2,5,25/rA:27COCCOCCCCCNOCCCNCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;w?10;s11;s10;d13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;s14;s9s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-HAYNWALJRSOKIJ_on_P41594_WT,High,ChEMBL30,CHEMBL255747,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(F)cc3)c2c1,HAYNWALJRSOKIJ,HAYNWALJRSOKIJ-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O2/c1-3-24-19(23)15-10-18-17(21-13(2)11-22(18)12-15)9-6-14-4-7-16(20)8-5-14/h4-5,7-8,10-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,17,22,15,18,21,14,24,9,7,10,16,6,19,13,23,4,20,12,8,5,3/E:(4,5)(7,8)/rA:24CCOCOCCNCCCNCCCCCCCFCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s19;s16d21;s8s13;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-HBBBENORIXSUJV_on_P14867_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-HBBBENORIXSUJV_on_P18507_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL682252;CHEMBL681483;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.520;  7.820;  6.460;  7.640,7.36,0.53,0.306,4.0,7.58,0.15
-HBBBENORIXSUJV_on_P28472_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249;CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.820;  7.520;  7.640;  6.460,7.36,0.53,0.306,4.0,7.58,0.15
-HBBBENORIXSUJV_on_P31644_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-HBBBENORIXSUJV_on_P34903_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-HBBBENORIXSUJV_on_P47869_WT,Low,ChEMBL30,CHEMBL55022,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1,HBBBENORIXSUJV,HBBBENORIXSUJV-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3","""AuxInfo=1/0/N:16,1,22,21,5,26,4,27,10,14,11,13,23,25,6,9,3,7,19,20,8,17,12,15,18,2,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCNCCNCCOCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-HBBYBZIOEDVVLE_on_P31644_WT,High,ChEMBL30,CHEMBL3676510,Cc1nc(OCc2c(C)onc2-c2ccccc2)ccc1C(=O)NC1CCOCC1,HBBYBZIOEDVVLE,HBBYBZIOEDVVLE-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-19(23(27)25-18-10-12-28-13-11-18)8-9-21(24-15)29-14-20-16(2)30-26-22(20)17-6-4-3-5-7-17/h3-9,18H,10-14H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,9,16,15,17,14,18,20,19,26,30,27,29,6,2,8,13,25,21,7,4,12,22,3,24,11,23,28,5,10/E:(4,5)(6,7)(10,11)(12,13)/rA:30CCNCOCCCCONCCCCCCCCCCCONCCCOCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s8;s10;s7d11;s12;d13;s14;d15;s16;s13d17;d4;s19;s2d20;s21;d22;s22;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-HBCOCAXKHSCNCW_on_P31644_WT,High,ChEMBL30,CHEMBL3681564,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(-c2ccc(F)c(F)c2)no1,HBCOCAXKHSCNCW,HBCOCAXKHSCNCW-UHFFFAOYSA-N,"InChI=1S/C21H21F2N3O4/c1-12-15(19(26-30-12)13-4-6-16(22)17(23)8-13)10-29-18-7-5-14(9-24-18)20(28)25-21(2,3)11-27/h4-9,27H,10-11H2,1-3H3,(H,25,28)","""AuxInfo=1/1/N:1,14,15,22,8,23,7,28,18,4,16,2,21,9,3,24,26,6,20,10,13,25,27,19,12,29,17,11,5,30/E:(2,3)/rA:30CCCCOCCCCCONCCCCOCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s26;s21d26;d20;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-HBCVCQYHRQPYKF_on_Q13224_WT,High,ChEMBL30,CHEMBL4286654,Oc1ccc2CCC(NCCCc3ccccc3)CCc2c1,HBCVCQYHRQPYKF,HBCVCQYHRQPYKF-UHFFFAOYSA-N,"InChI=1S/C20H25NO/c22-20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21-22H,4,7-9,11-12,14H2","""AuxInfo=1/0/N:16,15,17,11,14,18,12,6,20,4,7,19,3,10,22,13,5,21,8,2,9,1/E:(2,3)(5,6)/rA:22OCCCCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s8;s19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4610803,PMID:29289890,2018.0,PMID:31843460,2020,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-HBFDILCUSXICJX_on_O15399_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HBFDILCUSXICJX_on_O60391_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HBFDILCUSXICJX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HBFDILCUSXICJX_on_Q05586_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770;  8.050,7.91,0.14,0.14,2.0,7.91,0.14
-HBFDILCUSXICJX_on_Q12879_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HBFDILCUSXICJX_on_Q13224_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.050;  7.770,7.91,0.14,0.14,2.0,7.91,0.14
-HBFDILCUSXICJX_on_Q14957_WT,Low,ChEMBL30,CHEMBL183457,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,HBFDILCUSXICJX,HBFDILCUSXICJX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOSCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HBFQPCFCZCYVGM_on_P41594_WT,High,ChEMBL30,CHEMBL246058,O=C(CCc1cc(Cl)ccc1NC(=O)c1ccccn1)c1ccccc1,HBFQPCFCZCYVGM,HBFQPCFCZCYVGM-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O2/c22-17-10-11-18(24-21(26)19-8-4-5-13-23-19)16(14-17)9-12-20(25)15-6-2-1-3-7-15/h1-8,10-11,13-14H,9,12H2,(H,24,26)","""AuxInfo=1/1/N:24,23,25,17,18,22,26,16,4,9,10,3,19,6,21,5,7,11,15,2,13,8,20,12,1,14/E:(2,3)(6,7)/rA:26OCCCCCCClCCCNCOCCCCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-HBHUUTCZSGHMQC_on_P41594_WT,High,ChEMBL30,CHEMBL381820,Cc1cccnc1NC(=O)NC1=NC(=O)CN1C,HBHUUTCZSGHMQC,HBHUUTCZSGHMQC-UHFFFAOYSA-N,"InChI=1S/C11H13N5O2/c1-7-4-3-5-12-9(7)14-11(18)15-10-13-8(17)6-16(10)2/h3-5H,6H2,1-2H3,(H2,12,13,14,15,17,18)","""AuxInfo=1/1/N:1,18,4,3,5,16,2,14,7,12,9,6,13,8,11,17,15,10/rA:18CCCCCNCNCONCNCOCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;d9;s9;s11;w?12;s13;d14;s14;s12s16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-HBKFRQKTXQIBDE_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL595607;46225334;CHEMBL595607,Cn1c(CN2CCN(c3c(F)cc(Cl)cc3)CC2)nc2c1cccc2,HBKFRQKTXQIBDE,HBKFRQKTXQIBDE-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN4/c1-23-18-5-3-2-4-16(18)22-19(23)13-24-8-10-25(11-9-24)17-7-6-14(20)12-15(17)21/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,15,16,6,18,7,17,12,4,13,10,20,9,21,3,14,11,19,2,5,8/E:(8,9)(10,11)/rA:25CNCCNCCNCCFCCClCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s5s17;d3;s19;s2d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;PubChemAID:453995;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096;PubChemAID:453995;PMID:20005096,2010,0,1;0;1,0,0,0;1;0,,=,  6.900;  6.900;  5.600,6.4670000000000005,0.613,0.433,3.0,6.9,0.0
-HBLKDQXEUJOJPR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL35111;CHEMBL32976,NC1(C(=O)O)CCC(P(=O)(O)O)C1,HBLKDQXEUJOJPR,HBLKDQXEUJOJPR-UHFFFAOYSA-N,"InChI=1S/C6H12NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h4H,1-3,7H2,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:7,6,13,8,3,2,1,4,5,10,11,12,9/E:(8,9)(10,11,12)/rA:13NCCOOCCCPOOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s9;s2s8;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715495,PMID:10888329,2000.0,PMID:10888329,2000,0,1,0,0,0,,=,  4.070;  4.570,4.32,0.25,0.25,2.0,4.32,0.25
-HBMHMSDLYGAVPU_on_P31644_WT,High,ChEMBL30,CHEMBL3681560,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(F)cc2F)no1,HBMHMSDLYGAVPU,HBMHMSDLYGAVPU-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-6-5-14(21)8-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:14,15,1,8,21,20,7,24,16,4,13,2,9,22,19,3,25,6,18,10,23,26,17,12,27,11,5,28/E:(1,2)/rA:28CCCCOCCCCCONCCCCNCCCCCFCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;s25;d18;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-HBOSSQBJUBOEJN_on_O00591_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_O14764_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P14867_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P18505_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P18507_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P28472_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P31644_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P34903_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P47869_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P47870_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P48169_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_P78334_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_Q16445_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBOSSQBJUBOEJN_on_Q99928_WT,Low,ChEMBL30,CHEMBL330539,Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1,HBOSSQBJUBOEJN,HBOSSQBJUBOEJN-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-9-5-3-7-14-11(9)17(12)13-16-8-4-1-2-6-10(8)19-13/h1-7H,(H,15,18)","""AuxInfo=1/1/N:17,16,8,18,9,15,7,13,4,14,5,2,11,6,3,12,10,1,19/rA:19OCNCCNCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-HBYHTSFUKFIGEQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110331,Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(Cl)c3)n2)cc(C)n1,HBYHTSFUKFIGEQ,HBYHTSFUKFIGEQ-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c1-13-9-17(10-14(2)23-13)20-19-7-8-26-15(3)12-25(19)21(24-20)16-5-4-6-18(22)11-16/h4-6,9-11,15H,7-8,12H2,1-3H3","""AuxInfo=1/0/N:1,25,11,17,16,18,7,8,3,23,21,12,2,24,10,15,4,19,6,5,14,20,26,22,13,9/E:(1,2)(9,10)(13,14)/rA:26CCCCCCCCOCCCNCCCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s5d14;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-HBZSFLJFXKNCOR_on_Q13224_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL397784;CHEMBL397784;44441271,COc1ccccc1C1CN=C(c2cc(Cl)c(OC(F)(F)F)cc2)N1,HBZSFLJFXKNCOR,HBZSFLJFXKNCOR-UHFFFAOYSA-N,"InChI=1S/C17H14ClF3N2O2/c1-24-14-5-3-2-4-11(14)13-9-22-16(23-13)10-6-7-15(12(18)8-10)25-17(19,20)21/h2-8,13H,9H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,6,5,7,4,24,23,14,10,13,8,15,9,3,17,12,19,16,20,21,22,11,25,2,18/E:(19,20,21)/rA:25COCCCCCCCCNCCCCClCOCFFFCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;w?11;s12;d13;s14;s15;d15;s17;s18;s19;s19;s19;s17;s13d23;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887787;CHEMBL887786;PubChemAID:307754,PMID:17498948,2007.0,PMID:17498948;PMID:17498948;PubChemAID:307754,2007;2007;2010,1;0;0,0,0,0;1;0,0;0;1,,=,  6.970;  7.120;  7.125,7.072,0.07200000000000001,0.051,3.0,7.12,0.005
-HCBIDIPXBZFXET_on_P31644_WT,High,ChEMBL30,CHEMBL3681586,Cc1c(COC(c2ccc(C(N)=O)cn2)C(F)(F)F)c(-c2ccc(Cl)cn2)no1,HCBIDIPXBZFXET,HCBIDIPXBZFXET-UHFFFAOYSA-N,"InChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27)","""AuxInfo=1/1/N:1,9,23,8,22,14,26,4,2,10,24,3,21,7,20,6,11,16,25,17,18,19,12,15,27,28,13,5,29/E:(20,21,22)/rA:29CCCCOCCCCCCNOCNCFFFCCCCCClCNNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d11;s10;s7d14;s6;s16;s16;s16;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-HCBOOFLTPUBQCD_on_Q13255_WT,High,ChEMBL30,CHEMBL2205919,COc1ccc(-n2cnc3c(sc4c3c(Nc3ccccc3)ncn4)c2=O)cc1,HCBOOFLTPUBQCD,HCBOOFLTPUBQCD-UHFFFAOYSA-N,"InChI=1S/C21H15N5O2S/c1-28-15-9-7-14(8-10-15)26-12-24-17-16-19(25-13-5-3-2-4-6-13)22-11-23-20(16)29-18(17)21(26)27/h2-12H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,20,19,21,18,22,5,28,4,29,24,8,17,6,3,14,10,11,15,13,26,23,25,9,16,7,27,2,12/E:(3,4)(5,6)(7,8)(9,10)/rA:29COCCCCNCNCCSCCCNCCCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;s7s11;d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-HCEUPSKBUQVWQV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113408,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4COC4)c(Cl)c3)n2)cc(C)n1,HCEUPSKBUQVWQV,HCEUPSKBUQVWQV-UHFFFAOYSA-N,"InChI=1S/C24H26ClN3O3/c1-14-8-18(9-15(2)26-14)23-21-6-7-30-16(3)11-28(21)24(27-23)17-4-5-22(20(25)10-17)31-19-12-29-13-19/h4-5,8-10,16,19H,6-7,11-13H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,21,23,2,29,10,15,4,20,24,6,18,5,14,25,31,27,13,22,9,19/E:(1,2)(8,9)(12,13)(14,15)/rA:31CCCCCCCCOCCCNCCCCCOCCOCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;s20s22;s18;s24;s15d24;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-HCFBCQSYKQXNTE_on_P41594_WT,High,ChEMBL30,CHEMBL2151467,O=C(c1c(F)cccc1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1,HCFBCQSYKQXNTE,HCFBCQSYKQXNTE-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-13-5-3-4-11(8-13)16-21-17(25-22-16)12-9-23(10-12)18(24)14-6-1-2-7-15(14)20/h1-8,12H,9-10H2","""AuxInfo=1/0/N:8,7,21,22,20,9,6,17,11,25,16,12,18,3,4,15,13,2,19,5,14,23,10,1,24/E:(9,10)/rA:25OCCCFCCCCNCCCNCCCCClCCCNOC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-HCFHMWMIALGRQP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL440328,CCOC(=O)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,HCFHMWMIALGRQP,HCFHMWMIALGRQP-UHFFFAOYSA-N,"InChI=1S/C18H19F3N2O5S/c1-2-27-17(24)12-28-16-7-3-6-15(9-16)23(11-14-5-4-8-22-10-14)29(25,26)13-18(19,20)21/h3-10H,2,11-13H2,1H3","""AuxInfo=1/0/N:1,2,10,19,20,11,9,18,29,16,14,6,24,15,12,8,4,25,26,27,28,17,13,5,22,23,3,7,21/E:(19,20,21)(25,26)/CRV:29.6/rA:29CCOCOCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;d21;d21;s21;s24;s25;s25;s25;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-HCFMOOMOGCSHLA_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010887,CCC1CCCCN1Cc1c(F)ccc2c1nc(-c1ccccc1)[nH]2,HCFMOOMOGCSHLA,HCFMOOMOGCSHLA-UHFFFAOYSA-N,"InChI=1S/C21H24FN3/c1-2-16-10-6-7-13-25(16)14-17-18(22)11-12-19-20(17)24-21(23-19)15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,22,21,23,5,6,20,24,4,13,14,7,9,19,3,10,11,15,16,18,12,25,17,8/E:(4,5)(8,9)/rA:25CCCCCCCNCCCFCCCCNCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s16;d17;s18;d19;s20;d21;s22;s19d23;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-HCFMOOMOGCSHLA_on_Q13224_WT,High,ChEMBL30,CHEMBL2010887,CCC1CCCCN1Cc1c(F)ccc2c1nc(-c1ccccc1)[nH]2,HCFMOOMOGCSHLA,HCFMOOMOGCSHLA-UHFFFAOYSA-N,"InChI=1S/C21H24FN3/c1-2-16-10-6-7-13-25(16)14-17-18(22)11-12-19-20(17)24-21(23-19)15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,22,21,23,5,6,20,24,4,13,14,7,9,19,3,10,11,15,16,18,12,25,17,8/E:(4,5)(8,9)/rA:25CCCCCCCNCCCFCCCCNCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s16;d17;s18;d19;s20;d21;s22;s19d23;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HCHBMFCXUZYDHL_on_P31644_WT,High,ChEMBL30,CHEMBL3681614,CC(O)CNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,HCHBMFCXUZYDHL,HCHBMFCXUZYDHL-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O4/c1-12(24)8-22-19(25)14-4-7-17(21-9-14)26-10-15-11-27-23-18(15)13-2-5-16(20)6-3-13/h2-7,9,11-12,24H,8,10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,25,9,21,24,10,4,27,13,15,2,19,8,14,22,11,18,6,23,26,5,17,3,7,12,16/E:(2,3)(5,6)/rA:27CCOCNCOCCCCOCCCONCCCCCFCCNC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-HCHSPNPEJQQEFP_on_P41594_WT,Low,ChEMBL30,CHEMBL3633969,CC(=O)N1CCCn2nc(C[S+]([O-])c3ccccc3)cc12,HCHSPNPEJQQEFP,HCHSPNPEJQQEFP-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2S/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-21(20)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,6,15,19,5,7,20,11,2,10,14,21,9,4,8,3,13,12/E:(3,4)(6,7)/rA:21CCONCCCNNCCS+O-CCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s12;d14;s15;d16;s17;s14d18;s10;s4s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-HCJVWLPVQMYLOI_on_P14867_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329;CHEMBL676825,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:8627617,1998;2000;1996,0,0,0,1,0,,=,  7.690;  7.690;  7.690,7.69,0.0,0.0,3.0,7.69,0.0
-HCJVWLPVQMYLOI_on_P18507_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916;CHEMBL678740;CHEMBL681840;CHEMBL676825;CHEMBL677845;CHEMBL683045;CHEMBL681480;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:8627617,1996.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:8627617;PMID:8627617;PMID:8627617;PMID:8627617;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;1996;1996;1996;1996;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  6.750;  7.690;  7.570;  8.820;  7.580;  7.580;  7.570;  7.690;  6.750;  6.750;  8.820;  7.690;  7.570;  7.580,7.601,0.608,0.16899999999999998,14.0,7.58,0.11
-HCJVWLPVQMYLOI_on_P28472_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL823916;CHEMBL822165;CHEMBL683045;CHEMBL685338;CHEMBL683047;CHEMBL824296;CHEMBL678329,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039,2000;2000;2000;1998;1998;2000;1998;1998;1998;2000,0,0,0,1,0,,=,  8.820;  7.580;  7.570;  7.580;  7.690;  6.750;  8.820;  6.750;  7.570;  7.690,7.682,0.6609999999999999,0.22,10.0,7.58,0.11
-HCJVWLPVQMYLOI_on_P31644_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.820;  8.820,8.82,0.0,0.0,2.0,8.82,0.0
-HCJVWLPVQMYLOI_on_P34903_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678740;CHEMBL823916;CHEMBL682251,PMID:8627617,1996.0,PMID:8627617;PMID:9767648;PMID:10633039,1996;1998;2000,0,0,0,1,0,,=,  7.580;  7.580;  7.580,7.58,0.0,0.0,3.0,7.58,0.0
-HCJVWLPVQMYLOI_on_P47869_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL681840;CHEMBL824296,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  7.570;  7.570;  7.570,7.57,0.0,0.0,3.0,7.57,0.0
-HCJVWLPVQMYLOI_on_P47870_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL676825;CHEMBL681840;CHEMBL677845;CHEMBL678740,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  7.690;  7.570;  6.750;  7.580,7.397,0.377,0.218,4.0,7.575,0.06
-HCJVWLPVQMYLOI_on_Q16445_WT,Low,ChEMBL30,CHEMBL58385,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1,HCJVWLPVQMYLOI,HCJVWLPVQMYLOI-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:19,1,10,18,2,16,15,20,8,22,17,13,14,7,6,11,4,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL677845;CHEMBL683047,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  6.750;  6.750;  6.750,6.75,0.0,0.0,3.0,6.75,0.0
-HCKPQXIQNINWMT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3972978,Fc1ccc(Nc2c3ncccc3n[nH]2)cc1,HCKPQXIQNINWMT,HCKPQXIQNINWMT-UHFFFAOYSA-N,"InChI=1S/C12H9FN4/c13-8-3-5-9(6-4-8)15-12-11-10(16-17-12)2-1-7-14-11/h1-7H,(H2,15,16,17)","""AuxInfo=1/1/N:11,12,3,17,4,16,10,2,5,13,8,7,1,9,6,14,15/E:(3,4)(5,6)/rA:17FCCCCNCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-HCKZEGPSALKPIU_on_Q14416_WT,High,ChEMBL30,CHEMBL1669381,CCCn1ccc2c(c(Cl)cc(-c3cccnc3)c2)c1=O,HCKZEGPSALKPIU,HCKZEGPSALKPIU-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O/c1-2-7-20-8-5-12-9-14(13-4-3-6-19-11-13)10-15(18)16(12)17(20)21/h3-6,8-11H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,6,16,3,5,19,11,18,7,13,12,9,8,20,10,17,4,21/rA:21CCCNCCCCCClCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s13d17;s7d12;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-HCQHKYLRGQBICR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953648,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)F)C3)cc2n1,HCQHKYLRGQBICR,HCQHKYLRGQBICR-UHFFFAOYSA-N,"InChI=1S/C22H21F3N4O/c23-15-4-2-14(3-5-15)17-10-19(22(26)30)28-18-9-13(1-6-16(17)18)11-29-8-7-27-20(12-29)21(24)25/h1-6,9-10,20-21,27H,7-8,11-12H2,(H2,26,30)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,28,5,18,27,17,7,10,14,6,29,4,23,24,2,11,25,26,1,22,30,19,3/E:(2,3)(4,5)(24,25)/rA:30NCOCCCCCCCFCCCCCCCNCCNCCFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s19s23;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.300;  7.600,7.45,0.15,0.15,2.0,7.45,0.15
-HCRWZGNJDPZADV_on_O15399_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-HCRWZGNJDPZADV_on_O60391_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-HCRWZGNJDPZADV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-HCRWZGNJDPZADV_on_Q05586_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.070;  4.620;  5.550,5.412999999999999,0.6,0.424,3.0,5.55,0.52
-HCRWZGNJDPZADV_on_Q12879_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.550;  6.070,5.81,0.26,0.26,2.0,5.81,0.26
-HCRWZGNJDPZADV_on_Q13224_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746993;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  4.620;  6.070,5.345,0.725,0.725,2.0,5.345,0.725
-HCRWZGNJDPZADV_on_Q14957_WT,Low,ChEMBL30,CHEMBL273889,CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,HCRWZGNJDPZADV,HCRWZGNJDPZADV-UHFFFAOYSA-N,"InChI=1S/C12H14N3O6P/c1-6(16)15(2)12(22(19,20)21)7-4-3-5-8-9(7)14-11(18)10(17)13-8/h3-5,12H,1-2H3,(H,13,17)(H,14,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,5,17,18,16,2,7,15,8,12,10,6,14,9,4,3,13,11,20,21,22,19/E:(19,20,21)/rA:22CCONCCCCNCOCONCCCCPOOO/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;s6;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-HCUDNPNQOOAXTQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL161180,N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1,HCUDNPNQOOAXTQ,HCUDNPNQOOAXTQ-UHFFFAOYSA-N,"InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)","""AuxInfo=1/1/N:14,23,15,22,6,12,9,4,5,13,7,10,16,2,18,8,11,19,20,21,1,3,17/E:(1,2)(3,4)(5,6)(11,12)(16,17)(18,19,20)/rA:23NCNCCCCClCCClCCCCCOCFFFCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s2;d13;s14;d15;s16;s17;s18;s18;s18;s16;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749389,PMID:12639561,2003.0,PMID:12639561,2003,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HCUDNPNQOOAXTQ_on_Q13224_WT,Medium,ChEMBL30,CHEMBL161180,N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1,HCUDNPNQOOAXTQ,HCUDNPNQOOAXTQ-UHFFFAOYSA-N,"InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)","""AuxInfo=1/1/N:14,23,15,22,6,12,9,4,5,13,7,10,16,2,18,8,11,19,20,21,1,3,17/E:(1,2)(3,4)(5,6)(11,12)(16,17)(18,19,20)/rA:23NCNCCCCClCCClCCCCCOCFFFCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;s2;d13;s14;d15;s16;s17;s18;s18;s18;s16;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  7.620;  9.220,8.42,0.8,0.8,2.0,8.42,0.8
-HCVGVQZSMDHHLL_on_P41594_WT,High,ChEMBL30,CHEMBL3702461,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1n[nH]cc1)ccc3,HCVGVQZSMDHHLL,HCVGVQZSMDHHLL-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c29-22-11-23-21(27-12-19(24-13-27)14-4-5-14)10-20-17-3-1-2-16(18-6-8-25-26-18)15(17)7-9-28(20)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2,(H,25,26)","""AuxInfo=1/1/N:28,27,29,11,12,26,18,25,19,14,3,13,7,10,17,21,16,22,9,15,5,2,4,8,24,23,6,20,1/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCNNCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-HCVGVQZSMDHHLL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702461,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1n[nH]cc1)ccc3,HCVGVQZSMDHHLL,HCVGVQZSMDHHLL-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c29-22-11-23-21(27-12-19(24-13-27)14-4-5-14)10-20-17-3-1-2-16(18-6-8-25-26-18)15(17)7-9-28(20)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2,(H,25,26)","""AuxInfo=1/1/N:28,27,29,11,12,26,18,25,19,14,3,13,7,10,17,21,16,22,9,15,5,2,4,8,24,23,6,20,1/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCNNCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-HCVVJCJMDGFGMO_on_Q05586_WT,High,ChEMBL30,CHEMBL399275,COCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,HCVVJCJMDGFGMO,HCVVJCJMDGFGMO-UHFFFAOYSA-N,"InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)","""AuxInfo=1/1/N:1,22,4,5,3,16,17,15,19,8,7,12,10,18,20,14,9,6,13,11,23,24,2,21/E:(21,22)/CRV:24.6/rA:24COCCCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;s7d17;s19;s6;s21;d21;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  8.100;  6.550;  7.620,7.422999999999999,0.648,0.45799999999999996,3.0,7.62,0.48
-HCWWENOJPGWWSX_on_P41594_WT,Low,ChEMBL30,CHEMBL1784053,C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,HCWWENOJPGWWSX,HCWWENOJPGWWSX-UHFFFAOYSA-N,"InChI=1S/C19H13BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h1,4-9,11H,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCBrCCCO/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-HCWWENOJPGWWSX_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784053;23634325,C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,HCWWENOJPGWWSX,HCWWENOJPGWWSX-UHFFFAOYSA-N,"InChI=1S/C19H13BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h1,4-9,11H,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCBrCCCO/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  8.720;  8.721,8.721,0.0,0.0,2.0,8.721,0.0
-HCXIIWQSJZCJNC_on_O15399_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_O60391_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_Q05586_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_Q12879_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_Q13224_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXIIWQSJZCJNC_on_Q14957_WT,Low,ChEMBL30,CHEMBL43848,Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HCXIIWQSJZCJNC,HCXIIWQSJZCJNC-UHFFFAOYSA-N,"InChI=1S/C8H5FN4O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,10H2,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:9,10,8,2,7,3,13,15,11,1,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17NCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-HCXWPWPGUTZRDL_on_O15399_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  7.090;  6.780,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_O60391_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.780;  7.090,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  7.090;  6.780,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_Q05586_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  7.090;  6.780,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_Q12879_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  7.090;  6.780,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_Q13224_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.780;  7.090,6.935,0.155,0.155,2.0,6.935,0.155
-HCXWPWPGUTZRDL_on_Q14957_WT,Low,ChEMBL30,CHEMBL78777,CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1,HCXWPWPGUTZRDL,HCXWPWPGUTZRDL-UHFFFAOYSA-N,"InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,16,2,15,5,18,4,17,6,19,20,13,3,14,7,12,9,10,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(19,20)/rA:20CCCCCCCNCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;s15;d14;s17;s12d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  7.090;  6.780,6.935,0.155,0.155,2.0,6.935,0.155
-HCZHHEIFKROPDY_on_O15399_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_O60391_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_Q05586_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_Q12879_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_Q13224_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HCZHHEIFKROPDY_on_Q14957_WT,Low,ChEMBL30,CHEMBL299155,O=C(O)c1nc2c(cccc2)c(O)c1,HCZHHEIFKROPDY,HCZHHEIFKROPDY-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:9,10,8,11,14,7,6,4,12,2,5,13,1,3/E:(13,14)/rA:14OCOCNCCCCCCCOC/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s4d12;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2395408,PMID:23713606,2013.0,PMID:23713606,2013,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-HDBVVTQYKPQOBE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111753,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C(F)F)n1,HDBVVTQYKPQOBE,HDBVVTQYKPQOBE-UHFFFAOYSA-N,"InChI=1S/C23H22F5N3O2/c1-12-7-14(3-4-19(12)33-23(27)28)22-30-20(15-8-13(2)29-17(9-15)21(25)26)18-5-6-32-16(10-24)11-31(18)22/h3-4,7-9,16,21,23H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:25,1,17,18,7,8,26,3,28,11,13,24,2,16,4,10,29,6,19,5,30,15,21,12,31,32,22,23,33,27,14,9,20/E:(25,26)(27,28)/rA:33CCCCCCCCOCCFCNCCCCCOCFFCCCNCCCFFN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s30;s30;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HDIDQXQPKFTVHL_on_P18507_WT,Low,ChEMBL30,CHEMBL437753,C#Cc1cc(Cl)c(-n2cc(CCCC)nn2)c(Cl)c1,HDIDQXQPKFTVHL,HDIDQXQPKFTVHL-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2N3/c1-3-5-6-11-9-19(18-17-11)14-12(15)7-10(4-2)8-13(14)16/h2,7-9H,3,5-6H2,1H3","""AuxInfo=1/0/N:14,1,13,2,12,11,4,19,9,3,10,5,17,7,6,18,15,16,8/E:(7,8)(12,13)(15,16)/rA:19CCCCCClCNCCCCCCNNCClC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;s13;s10;s8d15;s7;s17;s3d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-HDIDQXQPKFTVHL_on_P47869_WT,Low,ChEMBL30,CHEMBL437753,C#Cc1cc(Cl)c(-n2cc(CCCC)nn2)c(Cl)c1,HDIDQXQPKFTVHL,HDIDQXQPKFTVHL-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2N3/c1-3-5-6-11-9-19(18-17-11)14-12(15)7-10(4-2)8-13(14)16/h2,7-9H,3,5-6H2,1H3","""AuxInfo=1/0/N:14,1,13,2,12,11,4,19,9,3,10,5,17,7,6,18,15,16,8/E:(7,8)(12,13)(15,16)/rA:19CCCCCClCNCCCCCCNNCClC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;s13;s10;s8d15;s7;s17;s3d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-HDIDQXQPKFTVHL_on_P47870_WT,Low,ChEMBL30,CHEMBL437753,C#Cc1cc(Cl)c(-n2cc(CCCC)nn2)c(Cl)c1,HDIDQXQPKFTVHL,HDIDQXQPKFTVHL-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2N3/c1-3-5-6-11-9-19(18-17-11)14-12(15)7-10(4-2)8-13(14)16/h2,7-9H,3,5-6H2,1H3","""AuxInfo=1/0/N:14,1,13,2,12,11,4,19,9,3,10,5,17,7,6,18,15,16,8/E:(7,8)(12,13)(15,16)/rA:19CCCCCClCNCCCCCCNNCClC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;s13;s10;s8d15;s7;s17;s3d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-HDLABPAQQVOWQC_on_Q14833_WT,High,ChEMBL30,CHEMBL3357574,O=C(Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1)c1ncccc1,HDLABPAQQVOWQC,HDLABPAQQVOWQC-UHFFFAOYSA-N,"InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)","""AuxInfo=1/1/N:27,26,18,19,17,28,5,6,25,22,4,11,20,15,23,7,12,2,9,13,21,16,24,3,8,1,10,14/rA:28OCNCCCCNCOCCCOCFCCCCClCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s8s12;d13;s12;s15;d15;s17;s11d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3385816,PMID:25330258,2014.0,PMID:25330258,2014,0;1,1;0,0,0,0,,=,  7.300;  7.440,7.37,0.07,0.07,2.0,7.37,0.07
-HDLNHNIGZWGTPR_on_P18507_WT,Low,ChEMBL30,CHEMBL197821,Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,HDLNHNIGZWGTPR,HDLNHNIGZWGTPR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)","""AuxInfo=1/1/N:17,16,18,4,15,19,5,3,21,20,13,8,14,6,7,2,11,1,12,9,10/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.720;  7.290,7.505,0.215,0.215,2.0,7.505,0.215
-HDLNHNIGZWGTPR_on_P28472_WT,Low,ChEMBL30,CHEMBL197821,Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,HDLNHNIGZWGTPR,HDLNHNIGZWGTPR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)","""AuxInfo=1/1/N:17,16,18,4,15,19,5,3,21,20,13,8,14,6,7,2,11,1,12,9,10/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.290;  7.720,7.505,0.215,0.215,2.0,7.505,0.215
-HDLNHNIGZWGTPR_on_P31644_WT,Low,ChEMBL30,CHEMBL197821,Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,HDLNHNIGZWGTPR,HDLNHNIGZWGTPR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)","""AuxInfo=1/1/N:17,16,18,4,15,19,5,3,21,20,13,8,14,6,7,2,11,1,12,9,10/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-HDLNHNIGZWGTPR_on_P34903_WT,Low,ChEMBL30,CHEMBL197821,Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1,HDLNHNIGZWGTPR,HDLNHNIGZWGTPR-UHFFFAOYSA-N,"InChI=1S/C17H14BrN3/c18-16-8-4-7-14(9-16)15-10-17(21-20-12-15)19-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,21)","""AuxInfo=1/1/N:17,16,18,4,15,19,5,3,21,20,13,8,14,6,7,2,11,1,12,9,10/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-HDNIUAIJRAGUOR_on_O15399_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_O60391_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_Q05586_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_Q12879_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_Q13224_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNIUAIJRAGUOR_on_Q14957_WT,Low,ChEMBL30,CHEMBL81735,Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1,HDNIUAIJRAGUOR,HDNIUAIJRAGUOR-UHFFFAOYSA-N,"InChI=1S/C14H14N4O2/c1-10-6-2-3-7-11(10)16-14(15)17-12-8-4-5-9-13(12)18(19)20/h2-9H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,19,18,15,14,20,17,16,13,2,3,8,9,5,6,4,7,10,11,12/E:(19,20)/CRV:18.5/rA:20CCCNCNNCCN+OO-CCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HDNWJKMMTZAYSO_on_P31644_WT,High,ChEMBL30,CHEMBL3681552,Cc1c(COc2ccc(C(=O)Nc3cn(C)nc3)cn2)c(-c2ccc(Cl)cc2)no1,HDNWJKMMTZAYSO,HDNWJKMMTZAYSO-UHFFFAOYSA-N,"InChI=1S/C21H18ClN5O3/c1-13-18(20(26-30-13)14-3-6-16(22)7-4-14)12-29-19-8-5-15(9-23-19)21(28)25-17-10-24-27(2)11-17/h3-11H,12H2,1-2H3,(H,25,28)","""AuxInfo=1/1/N:1,16,23,28,8,24,27,7,19,18,14,4,2,22,9,25,13,3,6,21,10,26,20,17,12,29,15,11,5,30/E:(3,4)(6,7)/rA:30CCCCOCCCCCONCCNCNCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;s15;s15;s13d17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-HDONXRPVBDHBPI_on_O00591_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_O14764_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P14867_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P18505_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P18507_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P28472_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P31644_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P34903_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P47869_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P47870_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P48169_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_P78334_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_Q16445_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDONXRPVBDHBPI_on_Q99928_WT,Low,ChEMBL30,CHEMBL59072,Cc1c(CO)c(N)c2c3c(cccc3)n(C)c2n1,HDONXRPVBDHBPI,HDONXRPVBDHBPI-UHFFFAOYSA-N,"InChI=1S/C14H15N3O/c1-8-10(7-18)13(15)12-9-5-3-4-6-11(9)17(2)14(12)16-8/h3-6,18H,7H2,1-2H3,(H2,15,16)","""AuxInfo=1/1/N:1,16,13,12,14,11,4,2,9,3,10,8,6,17,7,18,15,5/rA:18CCCCOCNCCCCCCCNCCN/rB:s1;d2;s3;s4;s3;s6;d6;s8;d9;s10;d11;s12;s9d13;s10;s15;s8s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HDOUYWYJYQRUQW_on_Q14833_WT,High,ChEMBL30,CHEMBL4247308;CHEMBL4237293,Cn1nc(C(=O)N2CCC(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,HDOUYWYJYQRUQW,HDOUYWYJYQRUQW-UHFFFAOYSA-N,"InChI=1S/C19H18FN7O/c1-26-15-9-12(22-18-17-14(23-24-18)3-2-7-21-17)4-5-13(15)16(25-26)19(28)27-8-6-11(20)10-27/h2-5,7,9,11H,6,8,10H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,22,23,27,28,9,21,8,15,12,10,16,13,24,14,4,19,18,5,11,20,17,25,26,3,2,7,6/rA:28CNNCCONCCCFCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s7s10;s4;s2d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s19s23;d24;s18s25;s16;s13d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.040;  6.120,6.08,0.04,0.04,2.0,6.08,0.04
-HDQXOJTXTIYMPC_on_P41594_WT,High,ChEMBL30,CHEMBL3122207,Cn1nc(-c2ccccc2)c2c1nc(OCc1ccccn1)cc2,HDQXOJTXTIYMPC,HDQXOJTXTIYMPC-UHFFFAOYSA-N,"InChI=1S/C19H16N4O/c1-23-19-16(18(22-23)14-7-3-2-4-8-14)10-11-17(21-19)24-13-15-9-5-6-12-20-15/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,20,6,10,18,24,23,21,16,5,17,11,14,4,12,22,13,3,2,15/E:(3,4)(7,8)/rA:24CNNCCCCCCCCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HDRYSUXNFJAISR_on_P41594_WT,Low,ChEMBL30,CHEMBL377078,CN1CC(=O)N=C1NC(=O)Nc1cc(Cl)cc(Cl)c1,HDRYSUXNFJAISR,HDRYSUXNFJAISR-UHFFFAOYSA-N,"InChI=1S/C11H10Cl2N4O2/c1-17-5-9(18)15-10(17)16-11(19)14-8-3-6(12)2-7(13)4-8/h2-4H,5H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,16,13,19,3,14,17,12,4,7,9,15,18,11,6,8,2,5,10/E:(3,4)(6,7)(12,13)/rA:19CNCCONCNCONCCCClCCClC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HDTDGHMIVCASOX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3902753,O=C(Nc1cn(S(=O)(=O)c2c(F)cc(F)c(F)c2)nc1)c1ccccn1,HDTDGHMIVCASOX,HDTDGHMIVCASOX-UHFFFAOYSA-N,"InChI=1S/C15H9F3N4O3S/c16-10-5-12(18)14(6-11(10)17)26(24,25)22-8-9(7-20-22)21-15(23)13-3-1-2-4-19-13/h1-8H,(H,21,23)","""AuxInfo=1/1/N:23,24,22,25,13,18,20,5,4,14,16,11,21,10,2,15,17,12,26,19,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCCFCCFCFCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s11;d13;s14;s14;s16;s10d16;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HDVXJJUOYDLALI_on_P41594_WT,High,ChEMBL30,CHEMBL3765747,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1C,HDVXJJUOYDLALI,HDVXJJUOYDLALI-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3","""AuxInfo=1/0/N:1,27,15,14,16,13,3,4,20,24,21,23,25,10,2,26,5,17,12,9,18,11,19,7,8,22,6/E:(9,10)(11,12)(24,25)/CRV:27.6/rA:27CCCCCSOOCCNCCCCCCCNCCOCCCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s18;s19;s20;s21;s22;s19s23;s5;s2d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008946,PMID:26774652,2016.0,PMID:28212015,2017,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-HEEXJOMSNBMMTL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484956,CC1CN(Cc2cnc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1,HEEXJOMSNBMMTL,HEEXJOMSNBMMTL-UHFFFAOYSA-N,"InChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3","""AuxInfo=1/0/N:1,23,12,11,22,19,7,3,5,2,6,13,10,20,9,24,15,21,16,17,18,8,4,25,26,14/E:(19,20,21)/rA:26CCCNCCCNCCCCCOCFFFCCFCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s13;s10d19;s20;s9;s6d22;s4;d24;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-HEGJYRQUDMITRQ_on_P14867_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-HEGJYRQUDMITRQ_on_P18507_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677034;CHEMBL682709;CHEMBL680432;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.310;  8.010;  8.070;  9.410,8.2,0.76,0.439,4.0,8.04,0.38
-HEGJYRQUDMITRQ_on_P28472_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682709;CHEMBL677034;CHEMBL680669;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.010;  7.310;  9.410;  8.070,8.2,0.76,0.439,4.0,8.04,0.38
-HEGJYRQUDMITRQ_on_P31644_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-HEGJYRQUDMITRQ_on_P34903_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-HEGJYRQUDMITRQ_on_P47869_WT,Low,ChEMBL30,CHEMBL122619,Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1,HEGJYRQUDMITRQ,HEGJYRQUDMITRQ-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3","""AuxInfo=1/0/N:20,18,1,21,27,29,26,30,22,14,19,17,2,28,25,15,10,11,9,6,12,5,16,31,8,7,23,3,24,13,4/E:(5,6)(7,8)/rA:31CCNOCCNNCCCCOCCNCCCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s19;s15d21;d12;s6s9s23;s11;s25;s26;s10s27;s28;s25s29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-HEJMVUTXIWZLLU_on_Q14416_WT,Low,ChEMBL30,CHEMBL2029789,COc1c(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cccc1,HEJMVUTXIWZLLU,HEJMVUTXIWZLLU-UHFFFAOYSA-N,"InChI=1S/C18H20N2O2/c1-13(2)8-10-20-11-9-14(16(12-19)18(20)21)15-6-4-5-7-17(15)22-3/h4-7,9,11,13H,8,10H2,1-3H3","""AuxInfo=1/0/N:15,16,1,20,21,19,22,13,18,12,17,7,14,5,4,6,3,9,8,11,10,2/E:(1,2)/rA:22COCCCCCNCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s6;d9;s9;s11;s12;s13;s14;s14;s11;s5d17;s4;d19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HEMBLNQAZSNVIH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1258436;49782363,N#Cc1cccnc1N1CCc2c(C1)nc(-c1ccccc1)o2,HEMBLNQAZSNVIH,HEMBLNQAZSNVIH-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c19-11-14-7-4-9-20-17(14)22-10-8-16-15(12-22)21-18(23-16)13-5-2-1-3-6-13/h1-7,9H,8,10,12H2","""AuxInfo=1/0/N:20,19,21,5,18,22,4,11,6,10,2,14,17,3,13,12,8,16,1,7,15,9,23/E:(2,3)(5,6)/rA:23NCCCCCNCNCCCCCNCCCCCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s9s13;s13;d15;s16;d17;s18;d19;s20;s17d21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400;PubChemAID:516922,PMID:20809633,2010.0,PMID:20809633;PubChemAID:516922,2010;2011,1;0,0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-HENDGWHFXCIEEB_on_O00591_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_O14764_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P14867_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P18505_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P18507_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P28472_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P31644_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P34903_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P41594_WT,High,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  7.000;  6.600,6.8,0.2,0.2,2.0,6.8,0.2
-HENDGWHFXCIEEB_on_P47869_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P47870_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P48169_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_P78334_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HENDGWHFXCIEEB_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410218,Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1,HENDGWHFXCIEEB,HENDGWHFXCIEEB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3","""AuxInfo=1/0/N:1,21,14,18,19,17,5,6,23,24,3,11,8,2,20,4,7,10,12,25,22,9,15,16,13/E:(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCSCOOCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-HEPAVXXAIMHNFB_on_P41594_WT,High,ChEMBL30,CHEMBL3904102,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cccc(F)c2)O1,HEPAVXXAIMHNFB,HEPAVXXAIMHNFB-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O2/c21-16-3-1-2-14(7-16)18-17(25-19(26)27-18)15-6-12(10-24-11-15)4-5-13-8-20(22,23)9-13/h1-3,6-7,10-11,13,17-18H,8-9H2,(H,25,26)","""AuxInfo=1/1/N:22,21,23,8,9,6,26,11,15,16,18,7,10,20,5,24,4,19,2,12,25,13,14,17,3,1,27/E:(8,9)(22,23)/rA:27OCNCCCCCCCCCFFCCNCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;d22;s23;s24;s20d24;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  7.510;  7.190,7.35,0.16,0.16,2.0,7.35,0.16
-HEPYTKLXVCHJCX_on_P41594_WT,High,ChEMBL30,CHEMBL3655628,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccc1,HEPYTKLXVCHJCX,HEPYTKLXVCHJCX-UHFFFAOYSA-N,"InChI=1S/C16H11BrN4O2/c17-12-3-1-2-11(4-12)16(22)21-13-5-14(7-18-6-13)23-15-8-19-10-20-9-15/h1-10H,(H,21,22)","""AuxInfo=1/1/N:22,23,21,18,16,5,7,11,15,13,17,19,4,8,10,2,20,6,12,14,3,1,9/E:(8,9)(19,20)/rA:23OCNCCNCCOCCNCNCCCCCBrCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.700;  6.640,6.67,0.03,0.03,2.0,6.67,0.03
-HEQJGGYLDWNFDT_on_P41594_WT,High,ChEMBL30,CHEMBL4069140,O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,HEQJGGYLDWNFDT,HEQJGGYLDWNFDT-UHFFFAOYSA-N,"InChI=1S/C21H11F4NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(23)9-19(16)26-11-20(21)29(27,28)15-6-8-17(24)18(25)10-15/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,5,20,6,16,11,13,23,26,17,4,21,7,9,15,12,22,27,18,8,10,14,1,3,2/E:(1,2)(3,4)(27,28)/CRV:29.6/rA:29OSOCCCCFCFCCCNCCCFCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-HEQWVPLGKMEJCN_on_O15399_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_O60391_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_Q05586_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_Q12879_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_Q13224_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HEQWVPLGKMEJCN_on_Q14957_WT,Low,ChEMBL30,CHEMBL79165,Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1,HEQWVPLGKMEJCN,HEQWVPLGKMEJCN-UHFFFAOYSA-N,"InChI=1S/C15H19N5/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,16-17H2,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCNCCCCCNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HESGPRKEUDYITM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939409,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCOCC3)cc2n1,HESGPRKEUDYITM,HESGPRKEUDYITM-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O3/c22-15-4-1-13(2-5-15)17-12-19(20(23)26)24-18-11-14(3-6-16(17)18)21(27)25-7-9-28-10-8-25/h1-6,11-12H,7-10H2,(H2,23,26)","""AuxInfo=1/1/N:8,13,16,9,12,15,21,25,22,24,26,5,7,17,10,14,6,27,4,2,18,11,1,28,20,3,19,23/E:(1,2)(4,5)(7,8)(9,10)/rA:28NCOCCCCCCCFCCCCCCCONCCOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-HEXBAJSBFNYKJO_on_Q05586_WT,Low,ChEMBL30,CHEMBL158874,N=C(C=Cc1ccccc1)NCc1ccccc1,HEXBAJSBFNYKJO,HEXBAJSBFNYKJO-UHFFFAOYSA-N,"InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358;CHEMBL747355,PMID:12639560,2003.0,PMID:12639560,2003,0;1,0,0,1;0,0,,=,  8.050;  7.160,7.605,0.445,0.445,2.0,7.605,0.445
-HEXBAJSBFNYKJO_on_Q13224_WT,High,ChEMBL30,CHEMBL158874,N=C(C=Cc1ccccc1)NCc1ccccc1,HEXBAJSBFNYKJO,HEXBAJSBFNYKJO-UHFFFAOYSA-N,"InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3117327,PMID:12639560,2003.0,PMID:24412068,2014,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-HFBRXRSNOBFVKY_on_P18507_WT,Low,ChEMBL30,CHEMBL133914,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,HFBRXRSNOBFVKY,HFBRXRSNOBFVKY-UHFFFAOYSA-N,"InChI=1S/C23H15N5O2/c1-2-14-8-9-17-16(12-14)23(29)27-11-10-18(27)20-19(24-13-28(17)20)22-25-21(26-30-22)15-6-4-3-5-7-15/h1,3-9,12-13,18H,10-11H2","""AuxInfo=1/0/N:1,2,23,22,24,21,25,4,5,13,12,8,29,3,20,7,6,14,16,15,19,17,9,28,18,26,11,30,10,27/E:(4,5)(6,7)/rA:30CCCCCCCCCONCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;d19;s17s26;s16;d28;s6s15s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-HFBRXRSNOBFVKY_on_P28472_WT,Low,ChEMBL30,CHEMBL133914,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,HFBRXRSNOBFVKY,HFBRXRSNOBFVKY-UHFFFAOYSA-N,"InChI=1S/C23H15N5O2/c1-2-14-8-9-17-16(12-14)23(29)27-11-10-18(27)20-19(24-13-28(17)20)22-25-21(26-30-22)15-6-4-3-5-7-15/h1,3-9,12-13,18H,10-11H2","""AuxInfo=1/0/N:1,2,23,22,24,21,25,4,5,13,12,8,29,3,20,7,6,14,16,15,19,17,9,28,18,26,11,30,10,27/E:(4,5)(6,7)/rA:30CCCCCCCCCONCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;d19;s17s26;s16;d28;s6s15s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-HFBRXRSNOBFVKY_on_P31644_WT,Low,ChEMBL30,CHEMBL133914,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,HFBRXRSNOBFVKY,HFBRXRSNOBFVKY-UHFFFAOYSA-N,"InChI=1S/C23H15N5O2/c1-2-14-8-9-17-16(12-14)23(29)27-11-10-18(27)20-19(24-13-28(17)20)22-25-21(26-30-22)15-6-4-3-5-7-15/h1,3-9,12-13,18H,10-11H2","""AuxInfo=1/0/N:1,2,23,22,24,21,25,4,5,13,12,8,29,3,20,7,6,14,16,15,19,17,9,28,18,26,11,30,10,27/E:(4,5)(6,7)/rA:30CCCCCCCCCONCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;d19;s17s26;s16;d28;s6s15s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-HFBSTQOCRHPHJB_on_P41594_WT,High,ChEMBL30,CHEMBL3672901,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)scn2,HFBSTQOCRHPHJB,HFBSTQOCRHPHJB-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5OS/c15-9-6-16-13-5-11(18-20(13)7-9)14(21)19-3-1-10-12(2-4-19)22-8-17-10/h5-8H,1-4H2","""AuxInfo=1/0/N:15,18,14,19,12,9,6,21,7,16,3,17,11,2,8,10,22,4,13,5,1,20/rA:22OCCNNCCBrCNCCNCCCCCCSCN/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;s20;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-HFDDWKASIKLXDO_on_Q13224_WT,High,ChEMBL30,CHEMBL4283845,FC(CNC1CCc2c(cccc2)CC1)Cc1ccccc1,HFDDWKASIKLXDO,HFDDWKASIKLXDO-UHFFFAOYSA-N,"InChI=1S/C20H24FN/c21-19(14-16-6-2-1-3-7-16)15-22-20-12-10-17-8-4-5-9-18(17)11-13-20/h1-9,19-20,22H,10-15H2","""AuxInfo=1/0/N:20,19,21,11,12,18,22,10,13,14,7,15,6,16,3,17,9,8,2,5,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)/rA:22FCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s5s14;s2;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4261991,PMID:30108812,2017.0,PMID:30108812,2017,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HFEJJSAHPYKAPW_on_P14867_WT,Low,ChEMBL30,CHEMBL555297,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)cc1,HFEJJSAHPYKAPW,HFEJJSAHPYKAPW-UHFFFAOYSA-N,"InChI=1S/C19H24O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h8-13,20H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,21,8,20,9,5,17,4,7,13,6,18,10,19,11/rA:21CCCCCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-HFEJJSAHPYKAPW_on_P47870_WT,Low,ChEMBL30,CHEMBL555297,CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)cc1,HFEJJSAHPYKAPW,HFEJJSAHPYKAPW-UHFFFAOYSA-N,"InChI=1S/C19H24O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h8-13,20H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,21,8,20,9,5,17,4,7,13,6,18,10,19,11/rA:21CCCCCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-HFNVCFWEOSNUHH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3971614,COc1ccc(-n2cnc3c(scc3-c3ccc4OCOc4c3)c2=O)cc1,HFNVCFWEOSNUHH,HFNVCFWEOSNUHH-UHFFFAOYSA-N,"InChI=1S/C20H14N2O4S/c1-24-14-5-3-13(4-6-14)22-10-21-18-15(9-27-19(18)20(22)23)12-2-7-16-17(8-12)26-11-25-16/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,16,5,26,4,27,17,23,13,8,20,15,6,3,14,18,22,10,11,24,9,7,25,2,19,21,12/E:(3,4)(5,6)/rA:27COCCCCNCNCCSCCCCCCOCOCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s18;s19;s20;s18s21;s15d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-HFPZDEHIDKJZSN_on_O00591_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_O14764_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P14867_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P18505_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P18507_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P28472_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P31644_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P34903_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P47869_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P47870_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P48169_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_P78334_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_Q16445_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFPZDEHIDKJZSN_on_Q99928_WT,Low,ChEMBL30,CHEMBL308760,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,HFPZDEHIDKJZSN,HFPZDEHIDKJZSN-UHFFFAOYSA-N,"InChI=1S/C19H17N3O6/c1-27-16-6-3-11(7-17(16)28-2)9-21-19(24)18(23)14-10-20-15-5-4-12(22(25)26)8-13(14)15/h3-8,10,20H,9H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,6,27,20,19,28,7,25,9,16,8,21,26,15,18,3,4,13,11,17,10,22,14,12,23,24,2,5/E:(25,26)/CRV:22.5/rA:28COCCOCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s8;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HFRRPIOHPBZYIO_on_P18507_WT,Low,ChEMBL30,CHEMBL1077397,Cc1c2Cn3ncnc3-c3c(ccc(I)c3)-n2cn1,HFRRPIOHPBZYIO,HFRRPIOHPBZYIO-UHFFFAOYSA-N,"InChI=1S/C13H10IN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCICNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-HFRRPIOHPBZYIO_on_P28472_WT,Low,ChEMBL30,CHEMBL1077397,Cc1c2Cn3ncnc3-c3c(ccc(I)c3)-n2cn1,HFRRPIOHPBZYIO,HFRRPIOHPBZYIO-UHFFFAOYSA-N,"InChI=1S/C13H10IN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCICNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-HFRRPIOHPBZYIO_on_P31644_WT,Low,ChEMBL30,CHEMBL1077397,Cc1c2Cn3ncnc3-c3c(ccc(I)c3)-n2cn1,HFRRPIOHPBZYIO,HFRRPIOHPBZYIO-UHFFFAOYSA-N,"InChI=1S/C13H10IN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCICNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-HFSOAQWKXNXOIN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962029,N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)ccc1F,HFSOAQWKXNXOIN,HFSOAQWKXNXOIN-UHFFFAOYSA-N,"InChI=1S/C21H16F2N4O2/c22-16-2-1-3-19(9-16)29-13-17-10-18-12-26(6-7-27(18)25-17)21(28)14-4-5-20(23)15(8-14)11-24/h1-5,8-10H,6-7,12-13H2","""AuxInfo=1/0/N:21,20,22,26,27,9,10,4,17,23,2,25,14,5,3,18,13,24,16,28,6,19,29,1,12,8,11,7,15/rA:29NCCCCCONCCNNCCOCCCFCCCCCCCCCF/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s13;s11d23;s8s24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-HFXLKMDYPFMMCB_on_P41594_WT,High,ChEMBL30,CHEMBL1808886,O=C(C1CCC1)N1CCCC1c1c(O)cc(-c2cccc(Cl)c2)nc1,HFXLKMDYPFMMCB,HFXLKMDYPFMMCB-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O2/c21-15-7-2-6-14(10-15)17-11-19(24)16(12-22-17)18-8-3-9-23(18)20(25)13-4-1-5-13/h2,6-7,10-13,18H,1,3-5,8-9H2,(H,22,24)","""AuxInfo=1/1/N:5,19,9,4,6,18,20,10,8,23,15,25,3,17,21,12,16,11,13,2,22,24,7,14,1/E:(4,5)/rA:25OCCCCCNCCCCCCOCCCCCCCClCNC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s7s10;s11;d12;s13;s13;d15;s16;d17;s18;d19;s20;s21;s17d21;s16;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  5.110;  6.170,5.64,0.53,0.53,2.0,5.64,0.53
-HGBMJQVJQBDWKS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388895;CHEMBL2408568,CC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2,HGBMJQVJQBDWKS,HGBMJQVJQBDWKS-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c1-9-6-13-12(14(20)7-9)8-17-15(19-13)18-11-4-2-10(16)3-5-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,14,17,13,18,8,3,20,2,15,12,6,7,4,10,16,19,11,9,5/E:(2,3)(4,5)/rA:20CCCCOCCCNCNCCCCClCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  7.465;  7.460,7.462999999999999,0.003,0.003,2.0,7.462999999999999,0.002
-HGHIVJVAHRZOSS_on_P41594_WT,High,ChEMBL30,CHEMBL3655648,CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1,HGHIVJVAHRZOSS,HGHIVJVAHRZOSS-UHFFFAOYSA-N,"InChI=1S/C17H14BrN5O/c1-23(15-9-19-11-20-10-15)14-5-6-21-16(8-14)22-17(24)12-3-2-4-13(18)7-12/h2-11H,1H3,(H,21,22,24)","""AuxInfo=1/1/N:1,19,18,20,10,11,23,24,4,8,6,17,21,9,3,13,15,22,5,7,12,14,2,16/E:(9,10)(19,20)/rA:24CNCCNCNCCCCNCNCOCCCCCBrCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-HGHPLOZJXNYTMQ_on_P31644_WT,High,ChEMBL30,CHEMBL3676493,Cc1c(COc2ccc(C(=O)NC3CCCN(CC(=O)O)C3)cn2)c(-c2ccccc2)no1,HGHPLOZJXNYTMQ,HGHPLOZJXNYTMQ-UHFFFAOYSA-N,"InChI=1S/C24H26N4O5/c1-16-20(23(27-33-16)17-6-3-2-4-7-17)15-32-21-10-9-18(12-25-21)24(31)26-19-8-5-11-28(13-19)14-22(29)30/h2-4,6-7,9-10,12,19H,5,8,11,13-15H2,1H3,(H,26,31)(H,29,30)","""AuxInfo=1/1/N:1,29,28,30,15,27,31,14,8,7,16,23,22,18,4,2,26,9,13,3,6,19,25,10,24,12,32,17,20,21,11,5,33/E:(3,4)(6,7)(29,30)/rA:33CCCCOCCCCCONCCCCNCCOOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s13s17;s9;s6d23;s3;s25;d26;s27;d28;s29;s26d30;d25;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-HGIDQQHLEXVLGL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109246,CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1C,HGIDQQHLEXVLGL,HGIDQQHLEXVLGL-UHFFFAOYSA-N,"InChI=1S/C24H28FN3O2/c1-5-29-22-7-6-18(10-15(22)2)24-27-23(19-11-16(3)26-17(4)12-19)21-8-9-30-20(13-25)14-28(21)24/h6-7,10-12,20H,5,8-9,13-14H2,1-4H3","""AuxInfo=1/0/N:1,30,14,17,2,6,5,20,21,28,12,18,24,26,29,13,16,7,11,23,19,4,10,8,25,15,9,27,3,22/E:(3,4)(11,12)(16,17)/rA:30CCOCCCCCNCCCCCNCCCCCCOCCFCNCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s24;s23;s8s19s26;s7;s4d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-HGJUDXDUSGEVOX_on_P14867_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.080;  8.080,8.08,0.0,0.0,2.0,8.08,0.0
-HGJUDXDUSGEVOX_on_P18507_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  9.400;  8.160;  7.990;  8.080;  8.160;  7.990;  8.080;  9.400,8.407,0.5760000000000001,0.218,8.0,8.12,0.085
-HGJUDXDUSGEVOX_on_P28472_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822165;CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL678329;CHEMBL682251;CHEMBL681480;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  8.080;  9.400;  8.160;  7.990;  8.080;  8.160;  9.400;  7.990,8.408,0.5760000000000001,0.218,8.0,8.12,0.085
-HGJUDXDUSGEVOX_on_P31644_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.400;  9.400,9.4,0.0,0.0,2.0,9.4,0.0
-HGJUDXDUSGEVOX_on_P34903_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.160;  8.160,8.16,0.0,0.0,2.0,8.16,0.0
-HGJUDXDUSGEVOX_on_P47869_WT,Low,ChEMBL30,CHEMBL133272,C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,HGJUDXDUSGEVOX,HGJUDXDUSGEVOX-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3","""AuxInfo=1/0/N:1,17,21,2,16,8,7,4,19,10,3,5,6,18,12,22,13,11,20,9,23,14,15/rA:23CCCCCCCCNCNCCOOCCCCNCCO/rB:d1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s9d12;s18;s19;s20;s5s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.990;  7.990,7.99,0.0,0.0,2.0,7.99,0.0
-HGKAMARNFGKMLC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1165411,c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1,HGKAMARNFGKMLC,HGKAMARNFGKMLC-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2","""AuxInfo=1/0/N:1,9,2,23,8,10,17,18,3,22,7,11,16,19,13,4,6,15,14,5,20,12,21/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)/rA:23CCCCCCCCCCCOCCCCCCCNOCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;s15;s16;s17;s18;s15s19;s5s14;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3636333;CHEMBL3636231,PMID:26430967,2015.0,PMID:26430967,2015,0;1,0,0,1;0,0,,=,  7.720;  8.010,7.865,0.145,0.145,2.0,7.865,0.145
-HGKAMARNFGKMLC_on_Q12879_WT,Low,ChEMBL30,CHEMBL1165411,c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1,HGKAMARNFGKMLC,HGKAMARNFGKMLC-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2","""AuxInfo=1/0/N:1,9,2,23,8,10,17,18,3,22,7,11,16,19,13,4,6,15,14,5,20,12,21/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)/rA:23CCCCCCCCCCCOCCCCCCCNOCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;s15;s16;s17;s18;s15s19;s5s14;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3636231;CHEMBL3636333,PMID:26430967,2015.0,PMID:26430967,2015,1;0,0,0,0;1,0,,=,  8.010;  7.720,7.865,0.145,0.145,2.0,7.865,0.145
-HGKYDJUCZWLSDO_on_P41594_WT,Medium,ChEMBL30,CHEMBL187091,Cc1cccc(C)c1-c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1,HGKYDJUCZWLSDO,HGKYDJUCZWLSDO-UHFFFAOYSA-N,"InChI=1S/C20H16FN5/c1-13-6-5-7-14(2)19(13)15-10-16(21)12-17(11-15)26-24-20(23-25-26)18-8-3-4-9-22-18/h3-12H,1-2H3","""AuxInfo=1/0/N:1,7,23,22,4,3,5,24,21,10,26,13,2,6,9,11,14,19,8,18,12,20,17,25,16,15/E:(1,2)(6,7)(13,14)/rA:26CCCCCCCCCCCFCCNNNCCNCCCCNC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s10;s11;d11;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s15d18;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-HGMDNMBBCKDWTQ_on_O15399_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  4.100,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_O60391_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  4.100,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  4.100,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.100;  5.040,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  4.100,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  4.100,4.57,0.47,0.47,2.0,4.57,0.47
-HGMDNMBBCKDWTQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL102740,N=C(N)NCCCCNC(=N)N,HGMDNMBBCKDWTQ,HGMDNMBBCKDWTQ-UHFFFAOYSA-N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)","""AuxInfo=1/1/N:6,7,5,8,2,10,1,3,11,12,4,9/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)/gE:(1,2)/rA:12NCNNCCCCNCNN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.100;  5.040,4.57,0.47,0.47,2.0,4.57,0.47
-HGPFVUUTSFNGNR_on_O00591_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_O14764_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P14867_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P18505_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P18507_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P28472_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P31644_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P34903_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P47869_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P47870_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P48169_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_P78334_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_Q16445_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPFVUUTSFNGNR_on_Q99928_WT,Low,ChEMBL30,CHEMBL192615,Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,HGPFVUUTSFNGNR,HGPFVUUTSFNGNR-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c1-9-2-4-10(5-3-9)14-15(22)20-13-8-11(17)6-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,14,2,5,15,12,13,6,20,9,16,11,7,19,8,21,10/E:(2,3)(4,5)/rA:23CCCCCCNNCONCCCCClCCNCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s8s13;s6s19;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-HGPSJWGUEKFTHM_on_P31644_WT,High,ChEMBL30,CHEMBL3681488,Cc1c(COc2ccc(C(=O)NCC(O)C(F)(F)F)cn2)c(-c2ccccc2)no1,HGPSJWGUEKFTHM,HGPSJWGUEKFTHM-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3O4/c1-12-15(18(26-30-12)13-5-3-2-4-6-13)11-29-17-8-7-14(9-24-17)19(28)25-10-16(27)20(21,22)23/h2-9,16,27H,10-11H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,24,28,8,7,20,13,4,2,23,9,3,14,6,22,10,16,17,18,19,21,12,29,15,11,5,30/E:(3,4)(5,6)(21,22,23)/rA:30CCCCOCCCCCONCCOCFFFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s16;s16;s16;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-HGRRBZCKZYRNEW_on_P41594_WT,Low,ChEMBL30,CHEMBL3758305,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2F)occ1,HGRRBZCKZYRNEW,HGRRBZCKZYRNEW-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)13-6-7-16(15(22)10-13)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,9,8,28,27,23,18,2,10,14,24,7,15,3,4,12,16,25,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3762452,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGRRBZCKZYRNEW_on_Q13255_WT,High,ChEMBL30,CHEMBL3758305,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2F)occ1,HGRRBZCKZYRNEW,HGRRBZCKZYRNEW-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)13-6-7-16(15(22)10-13)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,9,8,28,27,23,18,2,10,14,24,7,15,3,4,12,16,25,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.590;  4.590,6.09,1.5,1.5,2.0,6.09,1.5
-HGSIMIZDQXIFGR_on_Q13224_WT,High,ChEMBL30,CHEMBL4288292,FC(CCc1ccccc1)CNC1CCc2c(cccc2)CC1,HGSIMIZDQXIFGR,HGSIMIZDQXIFGR-UHFFFAOYSA-N,"InChI=1S/C21H26FN/c22-20(13-10-17-6-2-1-3-7-17)16-23-21-14-11-18-8-4-5-9-19(18)12-15-21/h1-9,20-21,23H,10-16H2","""AuxInfo=1/0/N:8,7,9,19,20,6,10,18,21,4,22,15,3,23,14,11,5,17,16,2,13,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)(18,19)/rA:23FCCCCCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s17;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4261991,PMID:30108812,2017.0,PMID:30108812,2017,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-HGULSDBPQFERGA_on_P41594_WT,High,ChEMBL30,CHEMBL2151616,CC1CCCCC1C(=O)N1CC(c2nc(-c3cccc(F)c3)no2)C1,HGULSDBPQFERGA,HGULSDBPQFERGA-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2/c1-12-5-2-3-8-16(12)19(24)23-10-14(11-23)18-21-17(22-25-18)13-6-4-7-15(20)9-13/h4,6-7,9,12,14,16H,2-3,5,8,10-11H2,1H3","""AuxInfo=1/0/N:1,4,5,18,3,17,19,6,22,11,25,2,16,12,20,7,15,13,8,21,14,23,10,9,24/E:(10,11)/rA:25CCCCCCCCONCCCNCCCCCCFCNOC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-HGWIVENBNWTRGU_on_Q14833_WT,High,ChEMBL30,CHEMBL3809795,O=C(Nc1cn(S(=O)(=O)c2cnc(Cl)cc2)cc1)c1ccccn1,HGWIVENBNWTRGU,HGWIVENBNWTRGU-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4O3S/c16-14-5-4-12(9-18-14)24(22,23)20-8-6-11(10-20)19-15(21)13-3-1-2-7-17-13/h1-10H,(H,19,21)","""AuxInfo=1/1/N:21,22,20,16,15,18,23,17,11,5,4,10,19,13,2,14,24,12,3,6,1,8,9,7/E:(22,23)/CRV:24.6/rA:24OCNCCNSOOCCNCClCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s6;s4d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.360;  6.360,6.36,0.0,0.0,2.0,6.36,0.0
-HGWVDBLPHYBBTH_on_O15399_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_O60391_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_Q05586_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_Q12879_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_Q13224_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HGWVDBLPHYBBTH_on_Q14957_WT,Low,ChEMBL30,CHEMBL29808,C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HGWVDBLPHYBBTH,HGWVDBLPHYBBTH-UHFFFAOYSA-N,"InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,18,17,4,24,5,23,19,9,21,8,22,13,11,3,12,6,16,15,20,14,10,7/E:(5,6)(7,8)(10,11)(12,13)/rA:24CCCCCCNCCNCCCNCCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHFBDROWDBDFBR_on_P14867_WT,High,ChEMBL30,CHEMBL259084,O=C(O)c1ccc(Nc2ncc3CN=C(c4c(F)cccc4F)c4c(ccc(Cl)c4)-c3n2)cc1,HHFBDROWDBDFBR,HHFBDROWDBDFBR-UHFFFAOYSA-N,"InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)","""AuxInfo=1/1/N:20,19,21,5,34,27,6,33,26,30,13,11,4,12,28,7,25,24,17,22,16,31,15,2,9,29,18,23,14,10,8,32,1,3/E:(2,3)(4,5)(7,8)(19,20)(27,28)(33,34)/rA:34OCOCCCCNCNCCCNCCCFCCCCFCCCCCClCCNCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;w?14;s15;d16;s17;s17;d19;s20;s16d21;s22;s15;d24;s25;d26;s27;s28;s24d28;s12s25;s9d31;s7;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3586973,PMID:26101564,2015.0,PMID:26101564,2015,1,0,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-HHHFKQKEBUKTRU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111225,Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)c1,HHHFKQKEBUKTRU,HHHFKQKEBUKTRU-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O3/c1-13-8-16(4-5-20(13)32-23(24,25)26)22-28-21(17-9-14(2)27-18(10-17)12-30)19-6-7-31-15(3)11-29(19)22/h4-5,8-10,15,30H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:29,1,15,20,21,11,12,30,32,7,16,5,28,2,14,19,8,4,10,22,9,18,24,25,26,27,3,31,17,6,13,23/E:(24,25,26)/rA:32CCNCCOCCCCCCOCCCNCCCCCOCFFFCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s28;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-HHJKYDLKRGBEDC_on_O15399_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_O60391_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_Q05586_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_Q12879_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_Q13224_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHJKYDLKRGBEDC_on_Q14957_WT,Low,ChEMBL30,CHEMBL78356,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1,HHJKYDLKRGBEDC,HHJKYDLKRGBEDC-UHFFFAOYSA-N,"InChI=1S/C14H16N4O/c1-9-7-10(15)5-6-13(9)18-14(16)17-11-3-2-4-12(19)8-11/h2-8,19H,15H2,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,13,14,12,16,15,19,9,2,17,8,10,3,5,18,6,7,4,11/rA:19CCCNCNNCCCOCCCCCCNC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HHLKCNHXNVMBFW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11715388;CHEMBL382527,Cc1nc(C=Cc2cnccc2)cs1,HHLKCNHXNVMBFW,HHLKCNHXNVMBFW-UHFFFAOYSA-N,"InChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3","""AuxInfo=1/0/N:1,11,12,6,5,10,8,13,2,7,4,9,3,14/rA:14CCNCCCCCNCCCCS/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  5.510;  5.510,5.51,0.0,0.0,2.0,5.51,0.0
-HHMDBQHJJWKOJO_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2204439,COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1,HHMDBQHJJWKOJO,HHMDBQHJJWKOJO-UHFFFAOYSA-N,"InChI=1S/C21H21NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13,19,23H,2-3,14-15H2,1H3","""AuxInfo=1/0/N:1,17,18,8,7,10,23,5,24,11,22,4,25,16,21,9,6,12,19,3,13,15,20,14,2/E:(6,7)(8,9)(10,11)(12,13)/rA:25COCCCCCCCCCCCONCCCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s19;s15s19;s12;s9d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,=,  5.610;  5.600,5.605,0.005,0.005,2.0,5.605,0.005
-HHMOXINRSPTHIX_on_Q05586_WT,Low,ChEMBL30,CHEMBL162415,N=C(NCCc1ccccc1)c1ccccc1,HHMOXINRSPTHIX,HHMOXINRSPTHIX-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17)","""AuxInfo=1/1/N:9,15,8,10,14,16,7,11,13,17,5,4,6,12,2,1,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17NCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-HHMOXINRSPTHIX_on_Q13224_WT,Low,ChEMBL30,CHEMBL162415,N=C(NCCc1ccccc1)c1ccccc1,HHMOXINRSPTHIX,HHMOXINRSPTHIX-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17)","""AuxInfo=1/1/N:9,15,8,10,14,16,7,11,13,17,5,4,6,12,2,1,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17NCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-HHOMYPVGQXHCJJ_on_O00222_WT,High,ChEMBL30,CHEMBL4090312,Nc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,HHOMYPVGQXHCJJ,HHOMYPVGQXHCJJ-UHFFFAOYSA-N,"InChI=1S/C11H17N2O5P/c12-8-3-1-7(2-4-8)11(16)19(17,18)6-5-9(13)10(14)15/h1-4,9,11,16H,5-6,12-13H2,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:4,18,3,19,12,11,5,2,13,15,6,1,14,16,17,7,9,10,8/E:(1,2)(3,4)(14,15)(17,18)/rA:19NCCCCCOPOOCCCNCOOCC/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.080;  5.080,5.08,0.0,0.0,2.0,5.08,0.0
-HHOMYPVGQXHCJJ_on_Q14831_WT,High,ChEMBL30,CHEMBL4090312,Nc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,HHOMYPVGQXHCJJ,HHOMYPVGQXHCJJ-UHFFFAOYSA-N,"InChI=1S/C11H17N2O5P/c12-8-3-1-7(2-4-8)11(16)19(17,18)6-5-9(13)10(14)15/h1-4,9,11,16H,5-6,12-13H2,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:4,18,3,19,12,11,5,2,13,15,6,1,14,16,17,7,9,10,8/E:(1,2)(3,4)(14,15)(17,18)/rA:19NCCCCCOPOOCCCNCOOCC/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-HHOMYPVGQXHCJJ_on_Q14833_WT,High,ChEMBL30,CHEMBL4090312,Nc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,HHOMYPVGQXHCJJ,HHOMYPVGQXHCJJ-UHFFFAOYSA-N,"InChI=1S/C11H17N2O5P/c12-8-3-1-7(2-4-8)11(16)19(17,18)6-5-9(13)10(14)15/h1-4,9,11,16H,5-6,12-13H2,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:4,18,3,19,12,11,5,2,13,15,6,1,14,16,17,7,9,10,8/E:(1,2)(3,4)(14,15)(17,18)/rA:19NCCCCCOPOOCCCNCOOCC/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.060;  5.060,5.06,0.0,0.0,2.0,5.06,0.0
-HHPPKBIPCLCNNF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL105671,COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,HHPPKBIPCLCNNF,HHPPKBIPCLCNNF-UHFFFAOYSA-N,"InChI=1S/C15H15F3N2O3S/c1-23-14-6-2-5-13(8-14)20(10-12-4-3-7-19-9-12)24(21,22)11-15(16,17)18/h2-9H,10-11H2,1H3","""AuxInfo=1/0/N:1,5,14,15,6,4,13,24,11,9,19,10,7,3,20,21,22,23,12,8,17,18,2,16/E:(16,17,18)(21,22)/CRV:24.6/rA:24COCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s8;d16;d16;s16;s19;s20;s20;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-HHQNDKZHVIQITA_on_P41594_WT,High,ChEMBL30,CHEMBL2346719,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(Cl)c1,HHQNDKZHVIQITA,HHQNDKZHVIQITA-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-13-7-8-20-14(18)9-13)22-23(2)16(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,6,9,19,20,24,2,4,7,18,22,14,3,15,23,8,21,17,13,11,16/E:(3,4)(5,6)/rA:24CCCCCCCFCCNCNCCONCCCNCClC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-HHRZBUWNLICHOO_on_Q13255_WT,High,ChEMBL30,CHEMBL3628113,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)occ1,HHRZBUWNLICHOO,HHRZBUWNLICHOO-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,23,18,10,15,3,4,12,16,24,19,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26426481,2015.0,PMID:26988302,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-HHRZBUWNLICHOO_on_Q14833_WT,High,ChEMBL30,CHEMBL3628113,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)occ1,HHRZBUWNLICHOO,HHRZBUWNLICHOO-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,23,18,10,15,3,4,12,16,24,19,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  5.960;  5.950,5.955,0.005,0.005,2.0,5.955,0.005
-HHUBIRLCPJRLDB_on_Q14416_WT,High,ChEMBL30,CHEMBL3616856;CHEMBL3616849;CHEMBL3616849;CHEMBL3616856;CHEMBL3616849;CHEMBL3616856,NC1(C(=O)O)CC(Sc2n[nH]c(C(F)(F)F)n2)C2C(C(=O)O)C21,HHUBIRLCPJRLDB,HHUBIRLCPJRLDB-UHFFFAOYSA-N,"InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)","""AuxInfo=1/1/N:6,7,18,19,23,20,12,3,9,2,13,14,15,16,1,17,11,10,21,22,4,5,8/E:(12,13,14)(19,20)(21,22)/rA:23NCCOOCCSCNNCCFFFNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s12;s13;s13;s13;s9d12;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619271;CHEMBL3619269;CHEMBL3619407;CHEMBL3619269;CHEMBL3619271;CHEMBL3619407,PMID:26313429,2015.0,PMID:26313429,2015,0,1;0;1;0;1;1,0,0;1;0;1;0;0,0,,=,  9.190;  7.070;  7.270;  8.070;  7.860;  8.110,7.928,0.6859999999999999,0.307,6.0,7.965,0.42
-HHUBIRLCPJRLDB_on_Q14832_WT,High,ChEMBL30,CHEMBL3616856;CHEMBL3616856;CHEMBL3616849;CHEMBL3616849;CHEMBL3616849;CHEMBL3616849;CHEMBL3616856,NC1(C(=O)O)CC(Sc2n[nH]c(C(F)(F)F)n2)C2C(C(=O)O)C21,HHUBIRLCPJRLDB,HHUBIRLCPJRLDB-UHFFFAOYSA-N,"InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)","""AuxInfo=1/1/N:6,7,18,19,23,20,12,3,9,2,13,14,15,16,1,17,11,10,21,22,4,5,8/E:(12,13,14)(19,20)(21,22)/rA:23NCCOOCCSCNNCCFFFNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s12;s13;s13;s13;s9d12;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619410;CHEMBL3619270;CHEMBL3619412;CHEMBL3619270;CHEMBL3619414;CHEMBL3619410;CHEMBL3619416,PMID:26313429,2015.0,PMID:26313429,2015,0;0;1;0;0;0;1,1;0;0;0;1;1;0,0,0;1;0;1;0;0;0,0,,=,  7.520;  7.370;  6.280;  7.250;  7.090;  7.100;  6.210,6.974,0.48200000000000004,0.19699999999999998,7.0,7.1,0.27
-HHURHNQYUICLFV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545805;CHEMBL3087225,Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)N(C)C)ccc1,HHURHNQYUICLFV,HHURHNQYUICLFV-UHFFFAOYSA-N,"InChI=1S/C19H24N2O2/c1-14-5-4-6-15(11-14)9-10-19(23)12-16-7-8-17(13-19)21(16)18(22)20(2)3/h4-6,11,16-17,23H,7-8,12-13H2,1-3H3","""AuxInfo=1/0/N:1,19,20,22,23,21,11,12,5,6,3,9,14,2,4,10,13,16,7,18,15,17,8/E:(2,3)(7,8)(12,13)(16,17)/rA:23CCCCCCCOCCCCCCNCONCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;d16;s16;s18;s18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.879;  6.880,6.88,0.0,0.0,2.0,6.88,0.001
-HHWCFIJUESFSTC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2022161;70681337,O=C1CCNC(NC(=O)Nc2cccc(C(F)(F)F)c2)=N1,HHWCFIJUESFSTC,HHWCFIJUESFSTC-UHFFFAOYSA-N,"InChI=1S/C12H11F3N4O2/c13-12(14,15)7-2-1-3-8(6-7)17-11(21)19-10-16-5-4-9(20)18-10/h1-3,6H,4-5H2,(H3,16,17,18,19,20,21)","""AuxInfo=1/1/N:13,14,12,3,4,20,15,11,2,6,8,16,17,18,19,5,10,21,7,1,9/E:(13,14,15)/rA:21OCCCNCNCONCCCCCCFFFCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s16;s16;s16;s11d15;s2w?6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194;PubChemAID:658105,PMID:22523618,2011.0,PMID:22523618;PubChemAID:658105,2011;2013,1;0,0,0,0,0;1,,=,  5.220;  5.222,5.221,0.001,0.001,2.0,5.221,0.001
-HHYCDNQUPPMKKX_on_Q14833_WT,High,ChEMBL30,CHEMBL2023461,COCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,HHYCDNQUPPMKKX,HHYCDNQUPPMKKX-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-25-11-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,7,8,22,23,3,4,26,21,12,11,14,6,10,9,25,24,20,13,2,5/E:(3,4)(5,6)/rA:26COCCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s13;s11d20;d10;s22;d23;s9s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-HHYQTPAPYWKDNN_on_P31644_WT,High,ChEMBL30,CHEMBL3676428,Cc1c(COc2ccc(C(=O)NC3CCCC3O)cn2)c(-c2ccc(F)cc2)no1,HHYQTPAPYWKDNN,HHYQTPAPYWKDNN-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,15,14,16,23,28,8,24,27,7,19,4,2,22,9,25,3,13,17,6,21,10,26,20,12,29,18,11,5,30/E:(5,6)(8,9)/rA:30CCCCOCCCCCONCCCCCOCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s13s16;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HHZDYZWYRDEKSB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3985577,NC(=O)c1cc(-c2ccc(Br)cc2)c2ccccc2n1,HHZDYZWYRDEKSB,HHZDYZWYRDEKSB-UHFFFAOYSA-N,"InChI=1S/C16H11BrN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20)","""AuxInfo=1/1/N:16,17,15,18,8,13,9,12,5,7,10,14,6,19,4,2,11,1,20,3/E:(5,6)(7,8)/rA:20NCOCCCCCCCBrCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;d17;s14s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-HICWROXXJFGAGC_on_O00222_WT,High,ChEMBL30,CHEMBL4072409,NC(CCP(=O)(O)C(N)c1cccc([N+](=O)[O-])c1)C(=O)O,HICWROXXJFGAGC,HICWROXXJFGAGC-UHFFFAOYSA-N,"InChI=1S/C11H16N3O6P/c12-9(11(15)16)4-5-21(19,20)10(13)7-2-1-3-8(6-7)14(17)18/h1-3,6,9-10H,4-5,12-13H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:12,11,13,3,4,18,10,14,2,8,19,1,9,15,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:14.5/rA:21NCCCPOOCNCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-HICWROXXJFGAGC_on_Q14833_WT,High,ChEMBL30,CHEMBL4072409,NC(CCP(=O)(O)C(N)c1cccc([N+](=O)[O-])c1)C(=O)O,HICWROXXJFGAGC,HICWROXXJFGAGC-UHFFFAOYSA-N,"InChI=1S/C11H16N3O6P/c12-9(11(15)16)4-5-21(19,20)10(13)7-2-1-3-8(6-7)14(17)18/h1-3,6,9-10H,4-5,12-13H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:12,11,13,3,4,18,10,14,2,8,19,1,9,15,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:14.5/rA:21NCCCPOOCNCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-HICZHPFZMDTJBP_on_P14867_WT,Low,ChEMBL30,CHEMBL364740,COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1,HICZHPFZMDTJBP,HICZHPFZMDTJBP-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)16-15(13-8-4-2-5-9-13)12-19-20-17(16)14-10-6-3-7-11-14/h2-12H,1H3","""AuxInfo=1/0/N:1,20,10,19,21,9,11,18,22,8,12,15,17,7,16,5,6,3,14,13,4,2/E:(4,5)(6,7)(8,9)(10,11)/rA:22COCOCCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-HICZHPFZMDTJBP_on_P18507_WT,Low,ChEMBL30,CHEMBL364740,COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1,HICZHPFZMDTJBP,HICZHPFZMDTJBP-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)16-15(13-8-4-2-5-9-13)12-19-20-17(16)14-10-6-3-7-11-14/h2-12H,1H3","""AuxInfo=1/0/N:1,20,10,19,21,9,11,18,22,8,12,15,17,7,16,5,6,3,14,13,4,2/E:(4,5)(6,7)(8,9)(10,11)/rA:22COCOCCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.190;  7.920;  6.810,7.307,0.461,0.326,3.0,7.19,0.38
-HICZHPFZMDTJBP_on_P28472_WT,Low,ChEMBL30,CHEMBL364740,COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1,HICZHPFZMDTJBP,HICZHPFZMDTJBP-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)16-15(13-8-4-2-5-9-13)12-19-20-17(16)14-10-6-3-7-11-14/h2-12H,1H3","""AuxInfo=1/0/N:1,20,10,19,21,9,11,18,22,8,12,15,17,7,16,5,6,3,14,13,4,2/E:(4,5)(6,7)(8,9)(10,11)/rA:22COCOCCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.810;  7.190;  7.920,7.307,0.461,0.326,3.0,7.19,0.38
-HICZHPFZMDTJBP_on_P31644_WT,Low,ChEMBL30,CHEMBL364740,COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1,HICZHPFZMDTJBP,HICZHPFZMDTJBP-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)16-15(13-8-4-2-5-9-13)12-19-20-17(16)14-10-6-3-7-11-14/h2-12H,1H3","""AuxInfo=1/0/N:1,20,10,19,21,9,11,18,22,8,12,15,17,7,16,5,6,3,14,13,4,2/E:(4,5)(6,7)(8,9)(10,11)/rA:22COCOCCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-HICZHPFZMDTJBP_on_P34903_WT,Low,ChEMBL30,CHEMBL364740,COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1,HICZHPFZMDTJBP,HICZHPFZMDTJBP-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)16-15(13-8-4-2-5-9-13)12-19-20-17(16)14-10-6-3-7-11-14/h2-12H,1H3","""AuxInfo=1/0/N:1,20,10,19,21,9,11,18,22,8,12,15,17,7,16,5,6,3,14,13,4,2/E:(4,5)(6,7)(8,9)(10,11)/rA:22COCOCCCCCCCCNNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-HIFGJRFHVCLSBW_on_P14867_WT,Low,ChEMBL30,CHEMBL4103198,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)cc1,HIFGJRFHVCLSBW,HIFGJRFHVCLSBW-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-27(26-16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,29,20,25,28,16,5,2,15,22,23,12,11,8,6,17,26,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.438,5.438,0.0,0.0,1.0,5.438,0.0
-HIFGJRFHVCLSBW_on_P18507_WT,Low,ChEMBL30,CHEMBL4103198,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)cc1,HIFGJRFHVCLSBW,HIFGJRFHVCLSBW-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-27(26-16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,29,20,25,28,16,5,2,15,22,23,12,11,8,6,17,26,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.438,5.438,0.0,0.0,1.0,5.438,0.0
-HIFGJRFHVCLSBW_on_P47870_WT,Low,ChEMBL30,CHEMBL4103198,Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)cc1,HIFGJRFHVCLSBW,HIFGJRFHVCLSBW-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-27(26-16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,29,20,25,28,16,5,2,15,22,23,12,11,8,6,17,26,3,4,7,19/rA:29CCNNCCOCCCCCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.438,5.438,0.0,0.0,1.0,5.438,0.0
-HIFUQJQLKLBORK_on_P41594_WT,High,ChEMBL30,CHEMBL3763653,O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1,HIFUQJQLKLBORK,HIFUQJQLKLBORK-UHFFFAOYSA-N,"InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H","""AuxInfo=1/0/N:19,20,18,24,29,25,28,5,6,11,13,23,26,4,21,7,16,9,12,22,15,27,8,17,10,14,1,3,2/E:(4,5)(6,7)(27,28)/CRV:29.6/rA:29OSOCCCCFCFCCCNCCFCCCCCCCCCClCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s9;s4d9;s2;d12;s13;d14;s15;s16;d16;s18;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HIQKKNGBYWJWAQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3941237,CC1(C)CCN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)C1,HIQKKNGBYWJWAQ,HIQKKNGBYWJWAQ-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-20(2)11-12-23(19(24)13-20)18-10-7-16(14-22-18)4-3-15-5-8-17(21)9-6-15/h5-10,14H,11-13H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,14,19,9,15,18,8,4,5,24,20,13,10,16,7,22,2,17,21,6,23/E:(1,2)(5,6)(8,9)/rA:24CCCCCNCCCCCCCCCCFCCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-HIRCSKJASDNSMO_on_P14867_WT,Low,ChEMBL30,CHEMBL4089504,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3cnco3)ncn-21,HIRCSKJASDNSMO,HIRCSKJASDNSMO-UHFFFAOYSA-N,"InChI=1S/C22H13FN4O/c1-2-14-7-8-18-16(9-14)21(15-5-3-4-6-17(15)23)25-10-19-22(26-12-27(18)19)20-11-24-13-28-20/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,14,4,5,8,18,22,27,24,3,10,7,15,6,19,21,9,20,16,23,17,26,28,25/rA:28CCCCCCCCCCCCCCCFNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s22;d23;s21s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-HIRCSKJASDNSMO_on_P18507_WT,Low,ChEMBL30,CHEMBL4089504,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3cnco3)ncn-21,HIRCSKJASDNSMO,HIRCSKJASDNSMO-UHFFFAOYSA-N,"InChI=1S/C22H13FN4O/c1-2-14-7-8-18-16(9-14)21(15-5-3-4-6-17(15)23)25-10-19-22(26-12-27(18)19)20-11-24-13-28-20/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,14,4,5,8,18,22,27,24,3,10,7,15,6,19,21,9,20,16,23,17,26,28,25/rA:28CCCCCCCCCCCCCCCFNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s22;d23;s21s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HIRCSKJASDNSMO_on_P28472_WT,Low,ChEMBL30,CHEMBL4089504,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3cnco3)ncn-21,HIRCSKJASDNSMO,HIRCSKJASDNSMO-UHFFFAOYSA-N,"InChI=1S/C22H13FN4O/c1-2-14-7-8-18-16(9-14)21(15-5-3-4-6-17(15)23)25-10-19-22(26-12-27(18)19)20-11-24-13-28-20/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,14,4,5,8,18,22,27,24,3,10,7,15,6,19,21,9,20,16,23,17,26,28,25/rA:28CCCCCCCCCCCCCCCFNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s22;d23;s21s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HIRCSKJASDNSMO_on_P34903_WT,Low,ChEMBL30,CHEMBL4089504,C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3cnco3)ncn-21,HIRCSKJASDNSMO,HIRCSKJASDNSMO-UHFFFAOYSA-N,"InChI=1S/C22H13FN4O/c1-2-14-7-8-18-16(9-14)21(15-5-3-4-6-17(15)23)25-10-19-22(26-12-27(18)19)20-11-24-13-28-20/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,14,4,5,8,18,22,27,24,3,10,7,15,6,19,21,9,20,16,23,17,26,28,25/rA:28CCCCCCCCCCCCCCCFNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;d19;s20;d21;s22;d23;s21s24;s20;d26;s6s19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HIRXVQATYCZQHB_on_P41594_WT,High,ChEMBL30,CHEMBL3804846,O=C1NC(c2cc(C#Cc3ccccc3)cnc2)C(c2cc(F)ccc2F)O1,HIRXVQATYCZQHB,HIRXVQATYCZQHB-UHFFFAOYSA-N,"InChI=1S/C22H14F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,9,8,24,25,6,21,16,18,10,7,5,22,20,26,4,19,2,23,27,17,3,1,28/E:(2,3)(4,5)/rA:28OCNCCCCCCCCCCCCCNCCCCCFCCCFO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s16;s5d17;s4;s19;d20;s21;s22;d22;s24;s20d25;s26;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807498;CHEMBL3865452;CHEMBL3807497,PMID:27994742,2016.0,PMID:26985317;PMID:27994742;PMID:26985317,2016,0;1;0,0;0;1,0,1;0;0,0,,=,  8.800;  8.520;  8.590,8.637,0.11900000000000001,0.084,3.0,8.59,0.07
-HJBIGZGKFHWYTD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3924466,CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CCC1(C)C,HJBIGZGKFHWYTD,HJBIGZGKFHWYTD-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-19(2)11-12-23(18(24)22(19)3)17-20-13-16(14-21-17)10-9-15-7-5-4-6-8-15/h4-8,13-14H,11-12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,15,14,16,13,17,11,10,21,20,8,18,12,9,6,3,22,7,19,2,5,4/E:(1,2)(5,6)(7,8)(13,14)(20,21)/rA:24CNCONCNCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-HJBRPPYSTGYSNI_on_P31644_WT,High,ChEMBL30,CHEMBL3675674,Cn1nnc(-c2ccc(F)cc2)c1COc1noc(C(=O)NC2CCOCC2)c1,HJBRPPYSTGYSNI,HJBRPPYSTGYSNI-UHFFFAOYSA-N,"InChI=1S/C19H20FN5O4/c1-25-15(18(22-24-25)12-2-4-13(20)5-3-12)11-28-17-10-16(29-23-17)19(26)21-14-6-8-27-9-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,21,26)","""AuxInfo=1/1/N:1,7,12,8,11,24,28,25,27,29,14,6,9,23,13,19,16,5,20,10,22,4,17,3,2,21,26,15,18/E:(2,3)(4,5)(6,7)(8,9)/rA:29CNNNCCCCCFCCCCOCNOCCONCCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;s2d5;s13;s14;s15;d16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;s16d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HJEGPJHAJJGFFI_on_P41594_WT,High,ChEMBL30,CHEMBL3702374,COc1cccc2c1CCN1C(=O)CN=C(c3ccnc(N(C)C)c3)C=C21,HJEGPJHAJJGFFI,HJEGPJHAJJGFFI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-24(2)20-11-14(7-9-22-20)17-12-18-15-5-4-6-19(27-3)16(15)8-10-25(18)21(26)13-23-17/h4-7,9,11-12H,8,10,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,5,6,4,18,9,19,10,25,26,14,17,7,8,16,27,3,21,12,20,15,22,11,13,2/E:(1,2)/rA:27COCCCCCCCCNCOCNCCCCNCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s21;s22;s22;s17d21;s16;s7s11w?26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-HJEGPJHAJJGFFI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702374,COc1cccc2c1CCN1C(=O)CN=C(c3ccnc(N(C)C)c3)C=C21,HJEGPJHAJJGFFI,HJEGPJHAJJGFFI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-24(2)20-11-14(7-9-22-20)17-12-18-15-5-4-6-19(27-3)16(15)8-10-25(18)21(26)13-23-17/h4-7,9,11-12H,8,10,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,5,6,4,18,9,19,10,25,26,14,17,7,8,16,27,3,21,12,20,15,22,11,13,2/E:(1,2)/rA:27COCCCCCCCCNCOCNCCCCNCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s21;s22;s22;s17d21;s16;s7s11w?26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-HJEWYPNNQPXFJA_on_P41594_WT,High,ChEMBL30,CHEMBL1951668,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc3scnc3c2)c1=O,HJEWYPNNQPXFJA,HJEWYPNNQPXFJA-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,9,13,8,14,24,21,16,12,23,4,19,5,11,6,25,7,22,2,15,26,20,10/E:(1,2)/rA:26CNCCCCNCCSCCCCNCCCCSCNCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;d21;s19s22;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-HJEWYPNNQPXFJA_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118121;CHEMBL1951668,CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc3scnc3c2)cc1,HJEWYPNNQPXFJA,HJEWYPNNQPXFJA-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,5,26,6,25,24,21,16,10,23,4,19,9,11,8,13,7,22,2,15,14,20,12/E:(1,2)/rA:26CNCCCCNCCCCSCONCCCCSCNCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s20;d21;s19s22;s16d23;s15;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  8.301;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-HJGRBNHROFTASJ_on_O00591_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_O14764_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P14867_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P18505_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P18507_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P28472_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P31644_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P34903_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P47869_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P47870_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P48169_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_P78334_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJGRBNHROFTASJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL424805,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1,HJGRBNHROFTASJ,HJGRBNHROFTASJ-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2F3N3S/c1-26-16-13(9-5-3-2-4-6-9)15(23)25(24-16)14-11(18)7-10(8-12(14)19)17(20,21)22/h2-8H,23H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,15,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(11,12)(18,19)(20,21,22)/rA:26CSCNNCCClCCCFFFCCClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-HJKVBAXUJRQUCF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3976001,COC1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,HJKVBAXUJRQUCF,HJKVBAXUJRQUCF-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O2/c1-20(2)13-23(19(24)18(20)25-3)17-11-8-15(12-22-17)5-4-14-6-9-16(21)10-7-14/h6-12,18H,13H2,1-3H3","""AuxInfo=1/0/N:24,25,1,12,11,14,19,9,15,18,8,20,22,13,10,16,7,3,4,23,17,21,6,5,2/E:(1,2)(6,7)(9,10)/rA:25COCCONCCCCCCCCCCFCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-HJNOESUOZGNLKO_on_P14867_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-HJNOESUOZGNLKO_on_P18507_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.190;  8.040;  7.770;  8.620,8.405,0.547,0.316,4.0,8.33,0.425
-HJNOESUOZGNLKO_on_P28472_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.620;  9.190;  8.040;  7.770,8.405,0.547,0.316,4.0,8.33,0.425
-HJNOESUOZGNLKO_on_P31644_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-HJNOESUOZGNLKO_on_P34903_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-HJNOESUOZGNLKO_on_P47869_WT,Low,ChEMBL30,CHEMBL180416,COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,HJNOESUOZGNLKO,HJNOESUOZGNLKO-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,5,16,20,4,28,30,27,31,6,9,29,26,15,8,3,24,25,14,23,11,7,21,22,12,13,2,10/E:(3,4)(6,7)(9,10)(11,12)/rA:31COCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-HJPMJORQAMIFIE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3901929,O=C(c1ccccc1)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,HJPMJORQAMIFIE,HJPMJORQAMIFIE-UHFFFAOYSA-N,"InChI=1S/C19H13ClN4O/c20-15-11-13(22-19-17-16(23-24-19)7-4-10-21-17)8-9-14(15)18(25)12-5-2-1-3-6-12/h1-11H,(H2,22,23,24)","""AuxInfo=1/1/N:6,5,7,18,4,8,19,11,10,17,23,3,12,9,24,20,15,2,14,25,16,13,21,22,1/E:(2,3)(5,6)/rA:25OCCCCCCCCCCCNCCNCCCCNNCCCl/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-HJQXPBKPTGWZCF_on_Q13255_WT,High,ChEMBL30,CHEMBL3628116,O=C(Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1)c1ncccc1Cl,HJQXPBKPTGWZCF,HJQXPBKPTGWZCF-UHFFFAOYSA-N,"InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)","""AuxInfo=1/1/N:18,26,19,17,27,5,6,25,22,4,11,15,28,20,7,12,23,2,9,13,16,29,21,24,3,8,1,10,14/rA:29OCNCCCCNCOCCCOCClCCCCClCCNCCCCCl/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s8s12;d13;s12;s15;d15;s17;s11d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26426481,2015.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-HJQXPBKPTGWZCF_on_Q14833_WT,Low,ChEMBL30,CHEMBL3628116,O=C(Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1)c1ncccc1Cl,HJQXPBKPTGWZCF,HJQXPBKPTGWZCF-UHFFFAOYSA-N,"InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)","""AuxInfo=1/1/N:18,26,19,17,27,5,6,25,22,4,11,15,28,20,7,12,23,2,9,13,16,29,21,24,3,8,1,10,14/rA:29OCNCCCCNCOCCCOCClCCCCClCCNCCCCCl/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s8s12;d13;s12;s15;d15;s17;s11d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3790240,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HJUYEZVNLJFONQ_on_P41594_WT,High,ChEMBL30,CHEMBL2349548,Cc1nc(NC(=O)c2nn(C)c(OCC3CCCCC3)c2C)ccc1,HJUYEZVNLJFONQ,HJUYEZVNLJFONQ-UHFFFAOYSA-N,"InChI=1S/C19H26N4O2/c1-13-8-7-11-16(20-13)21-18(24)17-14(2)19(23(3)22-17)25-12-15-9-5-4-6-10-15/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,22,11,18,17,19,24,25,16,20,23,14,2,21,15,4,8,6,12,3,5,9,10,7,13/E:(5,6)(9,10)/rA:25CCNCNCOCNNCCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s18;s15s19;s8d12;s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-HJVUJGQWPDNBJJ_on_O00591_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_O14764_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P14867_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P18505_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P18507_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P28472_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P31644_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P34903_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P47869_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P47870_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P48169_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_P78334_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJVUJGQWPDNBJJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL303932,CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1,HJVUJGQWPDNBJJ,HJVUJGQWPDNBJJ-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(18)13-7-11-9-5-3-4-6-10(9)14(17-19)12(11)8-16-13/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,13,7,19,9,14,8,18,6,15,4,20,16,5,17,3/rA:20CCOCOCCCCCCCCCCNOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s15;d16;s8s15;d18;s6s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-HJWGMEHOJPIGHZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL609278,CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2cc(Cl)c(Cl)cc2)cc1,HJWGMEHOJPIGHZ,HJWGMEHOJPIGHZ-UHFFFAOYSA-N,"InChI=1S/C18H20Cl2N2O4S/c1-27(24,25)22-14-5-7-15(8-6-14)26-12-18(23)21-10-2-3-13-4-9-16(19)17(20)11-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,16,17,25,7,27,8,26,24,15,19,11,18,6,9,22,20,12,23,21,14,5,13,3,4,10,2/E:(5,6)(7,8)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-HJWGMEHOJPIGHZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL609278,CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2cc(Cl)c(Cl)cc2)cc1,HJWGMEHOJPIGHZ,HJWGMEHOJPIGHZ-UHFFFAOYSA-N,"InChI=1S/C18H20Cl2N2O4S/c1-27(24,25)22-14-5-7-15(8-6-14)26-12-18(23)21-10-2-3-13-4-9-16(19)17(20)11-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,16,17,25,7,27,8,26,24,15,19,11,18,6,9,22,20,12,23,21,14,5,13,3,4,10,2/E:(5,6)(7,8)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-HJWSOSQLQQNWPN_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647535,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(N)(=O)=O)cc2)c1,HJWSOSQLQQNWPN,HJWSOSQLQQNWPN-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27)","""AuxInfo=1/1/N:1,2,19,27,13,20,26,14,28,10,4,18,12,21,17,11,15,6,7,16,23,5,9,8,3,24,25,22/E:(3,4)(6,7)(26,27)/CRV:28.6/rA:28CCNCNCCNNCCCCCCFCCCCCSNOOCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-HJWTVNIWFVQAHZ_on_P14867_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HJWTVNIWFVQAHZ_on_P18507_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-HJWTVNIWFVQAHZ_on_P28472_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-HJWTVNIWFVQAHZ_on_P31644_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-HJWTVNIWFVQAHZ_on_P34903_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HJWTVNIWFVQAHZ_on_P47869_WT,Low,ChEMBL30,CHEMBL331549,Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1,HJWTVNIWFVQAHZ,HJWTVNIWFVQAHZ-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-4-3-5-16(23-12)10-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-30-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,8,15/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCSCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HKCWMFRSAOXRPW_on_Q14416_WT,High,ChEMBL30,CHEMBL3883585,Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12,HKCWMFRSAOXRPW,HKCWMFRSAOXRPW-UHFFFAOYSA-N,"InChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2","""AuxInfo=1/0/N:11,12,10,13,22,23,7,8,16,17,15,20,5,21,6,9,14,3,19,2,26,1,24,25,18,4/E:(5,6)/rA:26ClCCOCCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s3;d16;s17;s18;s19;s20;s21;s21s22;d19;s24;s2s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HKDSQCHOJBPSLQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3919978,FC(F)(F)c1c(CN2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,HKDSQCHOJBPSLQ,HKDSQCHOJBPSLQ-UHFFFAOYSA-N,"InChI=1S/C23H24F4N4/c24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27/h1-5,8,11,16H,6-7,9-10,12-15H2","""AuxInfo=1/0/N:16,15,17,14,18,27,28,21,10,19,22,9,20,25,7,26,6,13,24,5,31,11,2,12,1,3,4,29,30,8,23/E:(2,3)(4,5)(6,7)(9,10)(12,13)(25,26,27)/rA:31FCFFCCCNCCCFCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s11;d13;s14;d15;s16;s13d17;s11;s8s19;s6;d21;s22;s23;s24;s25;s26;s26s27;d24;s29;s5s23d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-HKENFXOVRHUQKC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3634451,Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cn2)occ1,HKENFXOVRHUQKC,HKENFXOVRHUQKC-UHFFFAOYSA-N,"InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-18-19-8-11(9-20-18)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,19,20,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,26,25,9,22,2,10,15,14,3,4,20,12,7,8,23,6,11,5,21,13,24/E:(2,3)(4,5)(8,9)(12,13)(16,17)(19,20)(24,25)/rA:26CCCCONCNCCNCOCCCCCCCOCNOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-HKENFXOVRHUQKC_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634451,Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cn2)occ1,HKENFXOVRHUQKC,HKENFXOVRHUQKC-UHFFFAOYSA-N,"InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-18-19-8-11(9-20-18)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,19,20,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,26,25,9,22,2,10,15,14,3,4,20,12,7,8,23,6,11,5,21,13,24/E:(2,3)(4,5)(8,9)(12,13)(16,17)(19,20)(24,25)/rA:26CCCCONCNCCNCOCCCCCCCOCNOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HKGXLIUHDZONIX_on_P41594_WT,Low,ChEMBL30,CHEMBL247349,COc1c(OC)c2c(cc1)C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O,HKGXLIUHDZONIX,HKGXLIUHDZONIX-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O5/c1-31-18-9-7-15-19(20(18)32-2)23(30)27(22(15)29)12-13-11-14(24)6-8-16(13)26-21(28)17-5-3-4-10-25-17/h3-11H,12H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,6,27,28,26,19,9,20,10,29,16,14,15,17,8,21,25,3,7,4,23,11,31,18,30,22,13,24,12,32,2,5/rA:32COCCOCCCCCCONCCCCBrCCCNCOCCCCCNCO/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s8;d11;s11;s13;s14;d15;s16;s17;d17;s19;s15d20;s21;s22;d23;s23;d25;s26;d27;s28;s25d29;s7s13;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HKLYPSSDHPAOJM_on_O00591_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_O14764_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P14867_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P18505_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P18507_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P28472_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P31644_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P34903_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P47869_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P47870_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P48169_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_P78334_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_Q16445_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKLYPSSDHPAOJM_on_Q99928_WT,Low,ChEMBL30,CHEMBL90399,C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,HKLYPSSDHPAOJM,HKLYPSSDHPAOJM-UHFFFAOYSA-N,"InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3","""AuxInfo=1/0/N:1,12,13,14,2,4,18,5,17,9,15,3,6,10,7,11,8,16/E:(2,3,4)(6,7)(8,9)(10,11)(17,18)/rA:18CCCCCCCSCCCCCCCSCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s11;s11;s10;s7s15;s6;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HKNQVFASPZAUHK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3926942,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(C)nc2)c3)cc1,HKNQVFASPZAUHK,HKNQVFASPZAUHK-UHFFFAOYSA-N,"InChI=1S/C26H25N3O2/c1-16(12-18-5-4-17(2)28-15-18)20-8-11-22-23(19-6-9-21(31-3)10-7-19)14-25(26(27)30)29-24(22)13-20/h4-11,13-16H,12H2,1-3H3,(H2,27,30)","""AuxInfo=1/1/N:20,26,1,24,23,5,30,17,4,31,16,21,29,8,28,19,25,22,6,18,3,15,7,14,9,10,11,27,13,12,2/E:(6,7)(9,10)/rA:31COCCCCCCCCNONCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s25;s22d27;s14d18;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  7.920,7.96,0.04,0.04,2.0,7.96,0.04
-HKOHBSFGQVYMGV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3972468,CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCO1,HKOHBSFGQVYMGV,HKOHBSFGQVYMGV-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c1-14-12-26(8-9-28-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)27)25-20(18)10-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,27)","""AuxInfo=1/1/N:1,7,12,17,13,16,8,26,27,25,18,3,5,2,6,11,14,9,10,24,19,20,15,21,23,4,22,28/E:(3,4)(5,6)/rA:28CCCNCCCCCCCCCCFCCCCCNONCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;d10;s18;s19;s20;d20;d19;s9s23;s6d24;s4;s26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-HKTRCOIEEDDPDY_on_P41594_WT,Medium,ChEMBL30,CHEMBL187246,Cc1noc(C)c1-c1cccc(-n2nnc(-c3ncccc3)n2)c1,HKTRCOIEEDDPDY,HKTRCOIEEDDPDY-UHFFFAOYSA-N,"InChI=1S/C17H14N6O/c1-11-16(12(2)24-21-11)13-6-5-7-14(10-13)23-20-17(19-22-23)15-8-3-4-9-18-15/h3-10H,1-2H3","""AuxInfo=1/0/N:1,6,21,20,10,9,11,22,19,24,2,5,8,12,17,7,16,18,15,23,3,14,13,4/rA:24CCNOCCCCCCCCNNNCCNCCCCNC/rB:s1;d2;s3;s4;s5;s2d5;s7;d8;s9;d10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-HKUQSTGIJZJZJV_on_Q05586_WT,Medium,ChEMBL30,CHEMBL325890,Oc1nc2c(cc(C#CCN3CCC(Cc4ccccc4)CC3)cc2)o1,HKUQSTGIJZJZJV,HKUQSTGIJZJZJV-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2/c25-22-23-20-9-8-18(16-21(20)26-22)7-4-12-24-13-10-19(11-14-24)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H,23,25)","""AuxInfo=1/1/N:19,18,20,9,17,21,8,24,25,13,22,10,12,23,15,6,16,7,14,4,5,2,3,11,1,26/E:(2,3)(5,6)(10,11)(13,14)/rA:26OCNCCCCCCCNCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;t8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11s22;s7;s4d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-HKVPAVJWESGCMN_on_P14867_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.470,9.47,0.0,0.0,1.0,9.47,0.0
-HKVPAVJWESGCMN_on_P18507_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251;CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.280;  9.470;  9.100;  8.000,8.963,0.5710000000000001,0.33,4.0,9.19,0.185
-HKVPAVJWESGCMN_on_P28472_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL683045;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.100;  9.470;  8.000;  9.280,8.963,0.5710000000000001,0.33,4.0,9.19,0.185
-HKVPAVJWESGCMN_on_P31644_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-HKVPAVJWESGCMN_on_P34903_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-HKVPAVJWESGCMN_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144610,COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1,HKVPAVJWESGCMN,HKVPAVJWESGCMN-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,22H,1-2H3","""AuxInfo=1/0/N:1,21,5,23,4,24,18,17,22,13,6,3,19,16,10,15,9,11,14,8,7,12,2,20/E:(3,4)(5,6)/rA:24COCCCCNNCCCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s19;s20;s15d19;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HKVVATNYIHDBAE_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647564,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2C#N)c1,HKVVATNYIHDBAE,HKVVATNYIHDBAE-UHFFFAOYSA-N,"InChI=1S/C22H18FN5O2S/c1-3-28-13-25-21-19(12-26-27-22(21)28)14-5-8-20(23)18(10-14)17-7-6-16(9-15(17)11-24)31(29,30)4-2/h5-10,12-13H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,26,2,25,13,20,19,14,27,31,29,10,4,12,28,21,18,17,11,15,6,7,16,30,5,9,8,3,23,24,22/E:(29,30)/CRV:31.6/rA:31CCNCNCCNNCCCCCCFCCCCCSOOCCCCCNC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s28;t29;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-HKZHVRDHFXEJHG_on_P41594_WT,High,ChEMBL30,CHEMBL4072908,N#Cc1cc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(CO)CC2)cc(F)c1,HKZHVRDHFXEJHG,HKZHVRDHFXEJHG-UHFFFAOYSA-N,"InChI=1S/C22H19ClFN3O3S/c23-16-1-2-19-20(9-16)26-12-21(22(19)27-5-3-14(13-28)4-6-27)31(29,30)18-8-15(11-25)7-17(24)10-18/h1-2,7-10,12,14,28H,3-6,13H2","""AuxInfo=1/0/N:16,17,22,26,21,27,31,4,13,28,2,10,24,23,3,14,29,5,18,12,9,19,15,30,1,11,20,25,7,8,6/E:(3,4)(5,6)(29,30)/CRV:31.6/rA:31NCCCCSOOCCNCCCClCCCCNCCCCOCCCCFC/rB:t1;s2;d3;s4;s5;d6;d6;s6;d9;s10;d11;s12;d13;s14;s14;d16;s12s17;s9d18;s19;s20;s21;s22;s23;s24;s23;s20s26;d5;s28;s29;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-HKZPYJDJLRYASP_on_P41594_WT,High,ChEMBL30,CHEMBL3603910,Fc1cc(-c2cc(-n3cccn3)ncn2)ccc1,HKZPYJDJLRYASP,HKZPYJDJLRYASP-UHFFFAOYSA-N,InChI=1S/C13H9FN4/c14-11-4-1-3-10(7-11)12-8-13(16-9-15-12)18-6-2-5-17-18/h1-9H,"""AuxInfo=1/0/N:17,10,16,18,11,9,3,6,14,4,2,5,7,1,15,13,12,8/rA:18FCCCCCCNCCCNNCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;d7;s13;s5d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-HKZVOVXCSIZDAJ_on_Q14833_WT,High,ExCAPE-DB,38032499,O=C(Nc1cc(OC(F)(F)F)ccc1)c1ccccn1,HKZVOVXCSIZDAJ,HKZVOVXCSIZDAJ-UHFFFAOYSA-N,"InChI=1S/C13H9F3N2O2/c14-13(15,16)20-10-5-3-4-9(8-10)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)","""AuxInfo=1/1/N:17,18,13,14,12,16,19,5,4,6,15,2,8,9,10,11,20,3,1,7/E:(14,15,16)/rA:20OCNCCCOCFFFCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s8;s8;s8;d6;s12;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197,PMID:19469556,2009.0,PubChemAID:2197,2009,0,0,0,0,1,,=,  5.365,5.365,0.0,0.0,1.0,5.365,0.0
-HLGHDHJLYIPBMU_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647560,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc3c(c2)CC(C)S3(=O)=O)c1,HLGHDHJLYIPBMU,HLGHDHJLYIPBMU-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O2S/c1-3-27-12-24-21-18(11-25-26-22(21)27)15-4-6-19(23)17(10-15)14-5-7-20-16(9-14)8-13(2)30(20,28)29/h4-7,9-13H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,26,2,13,19,14,20,24,23,30,10,4,25,18,12,22,17,11,15,21,6,7,16,5,9,8,3,28,29,27/E:(28,29)/CRV:30.6/rA:30CCNCNCCNNCCCCCCFCCCCCCCCCCSOOC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;s18d22;s22;s24;s25;s21s25;d27;d27;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-HLJUIGNKTQCODP_on_O15399_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_O60391_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_Q05586_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_Q12879_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_Q13224_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLJUIGNKTQCODP_on_Q14957_WT,Low,ChEMBL30,CHEMBL44018,CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,HLJUIGNKTQCODP,HLJUIGNKTQCODP-UHFFFAOYSA-N,"InChI=1S/C10H8FN3O5/c1-2-19-8-4(11)3-5-6(7(8)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,11,12,10,9,5,4,15,17,13,14,19,6,16,18,7,8,3/E:(17,18)/CRV:14.5/rA:19CCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;d4;s5;d6;s6;s5;d9;s10;s4d11;s12;s10;d14;s15;s15;s17;s9d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-HLKQVESZETYPOB_on_P18507_WT,Low,ChEMBL30,CHEMBL1783246,CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N,HLKQVESZETYPOB,HLKQVESZETYPOB-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,2,15,14,16,19,13,17,18,20,3,12,11,21,22,10,7,5,23,4,9,8,6/E:(4,5)(7,8)/rA:23CCCNCOCNNCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;d19;s10s20;s7d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-HLKQVESZETYPOB_on_P28472_WT,Low,ChEMBL30,CHEMBL1783246,CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N,HLKQVESZETYPOB,HLKQVESZETYPOB-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,2,15,14,16,19,13,17,18,20,3,12,11,21,22,10,7,5,23,4,9,8,6/E:(4,5)(7,8)/rA:23CCCNCOCNNCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;d19;s10s20;s7d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-HLKQVESZETYPOB_on_P47869_WT,Low,ChEMBL30,CHEMBL1783246,CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N,HLKQVESZETYPOB,HLKQVESZETYPOB-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23)","""AuxInfo=1/1/N:1,2,15,14,16,19,13,17,18,20,3,12,11,21,22,10,7,5,23,4,9,8,6/E:(4,5)(7,8)/rA:23CCCNCOCNNCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;d19;s10s20;s7d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-HLLKHMKQKCBMLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078472,Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21,HLLKHMKQKCBMLQ,HLLKHMKQKCBMLQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN5S/c17-10-3-4-12-11(6-10)16-18-8-20-22(16)7-13-15(19-9-21(12)13)14-2-1-5-23-14/h1-6,8-9H,7H2","""AuxInfo=1/0/N:18,17,3,4,19,7,13,10,22,2,6,5,14,16,15,8,1,9,21,11,23,12,20/rA:23BrCCCCCCCNCNNCCCCCCCSNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s17;d18;s16s19;s15;d21;s5s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-HLLKHMKQKCBMLQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078472,Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21,HLLKHMKQKCBMLQ,HLLKHMKQKCBMLQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN5S/c17-10-3-4-12-11(6-10)16-18-8-20-22(16)7-13-15(19-9-21(12)13)14-2-1-5-23-14/h1-6,8-9H,7H2","""AuxInfo=1/0/N:18,17,3,4,19,7,13,10,22,2,6,5,14,16,15,8,1,9,21,11,23,12,20/rA:23BrCCCCCCCNCNNCCCCCCCSNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s17;d18;s16s19;s15;d21;s5s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-HLLKHMKQKCBMLQ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078472,Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21,HLLKHMKQKCBMLQ,HLLKHMKQKCBMLQ-UHFFFAOYSA-N,"InChI=1S/C16H10BrN5S/c17-10-3-4-12-11(6-10)16-18-8-20-22(16)7-13-15(19-9-21(12)13)14-2-1-5-23-14/h1-6,8-9H,7H2","""AuxInfo=1/0/N:18,17,3,4,19,7,13,10,22,2,6,5,14,16,15,8,1,9,21,11,23,12,20/rA:23BrCCCCCCCNCNNCCCCCCCSNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s17;d18;s16s19;s15;d21;s5s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-HLOKGEMVMUYGLD_on_P41594_WT,High,ChEMBL30,CHEMBL257504,CCOC(=O)c1cn2cc(C)nc(C#Cc3cnccc3)c2c1,HLOKGEMVMUYGLD,HLOKGEMVMUYGLD-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2/c1-3-23-18(22)15-9-17-16(20-13(2)11-21(17)12-15)7-6-14-5-4-8-19-10-14/h4-5,8-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,20,21,15,14,19,23,17,9,7,10,16,6,13,22,4,18,12,8,5,3/rA:23CCOCOCCNCCCNCCCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s8s13;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-HLQCLHQQWYDDAF_on_Q14833_WT,High,ChEMBL30,CHEMBL3809468,O=C(Nc1cn(S(=O)(=O)Cc2ccc(F)cc2F)cc1)c1ccccn1,HLQCLHQQWYDDAF,HLQCLHQQWYDDAF-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S/c18-13-5-4-12(15(19)9-13)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)","""AuxInfo=1/1/N:23,24,22,12,13,20,25,19,16,5,10,11,14,4,17,21,2,15,18,26,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCCCCCFCCFCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s14;s11d16;s17;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.720;  6.720,6.72,0.0,0.0,2.0,6.72,0.0
-HLRBYKMPMSUTAX_on_P14867_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  6.760;  6.760,6.76,0.0,0.0,2.0,6.76,0.0
-HLRBYKMPMSUTAX_on_P18507_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681090;CHEMBL685340;CHEMBL680293;CHEMBL683015;CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.460;  8.040;  6.760;  7.370;  7.370;  6.760;  8.040;  7.460,7.407,0.45399999999999996,0.171,8.0,7.415,0.335
-HLRBYKMPMSUTAX_on_P28472_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681090;CHEMBL685340;CHEMBL683015;CHEMBL680293;CHEMBL681405;CHEMBL681641;CHEMBL682253;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.460;  8.040;  7.370;  6.760;  7.370;  6.760;  7.460;  8.040,7.407,0.45399999999999996,0.171,8.0,7.415,0.335
-HLRBYKMPMSUTAX_on_P31644_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.040;  8.040,8.04,0.0,0.0,2.0,8.04,0.0
-HLRBYKMPMSUTAX_on_P34903_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.460;  7.460,7.46,0.0,0.0,2.0,7.46,0.0
-HLRBYKMPMSUTAX_on_P47869_WT,Low,ChEMBL30,CHEMBL276508,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1,HLRBYKMPMSUTAX,HLRBYKMPMSUTAX-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,15,19,16,18,11,7,14,12,5,4,13,3,8,17,6,2,20/E:(1,2)(4,5)(6,7)/rA:20CSCCCOCCCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.370;  7.370,7.37,0.0,0.0,2.0,7.37,0.0
-HLTKIIWHBYCWHU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54587483;CHEMBL1779850;CHEMBL1779850,Cc1ccc(C#Cc2nc3c(cc2)C(=O)N(C)CC3)cc1,HLTKIIWHBYCWHU,HLTKIIWHBYCWHU-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-13-3-5-14(6-4-13)7-8-15-9-10-16-17(19-15)11-12-20(2)18(16)21/h3-6,9-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,17,3,21,4,20,6,7,13,12,19,18,2,5,8,11,10,14,9,16,15/E:(3,4)(5,6)/rA:21CCCCCCCCNCCCCCONCCCCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s11;d14;s14;s16;s16;s10s18;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137;PMID:21531137,2012;2011;2011,0;0;1,0,0,0;1;0,1;0;0,,=,  5.854;  5.130;  5.850,5.611000000000001,0.34,0.24100000000000002,3.0,5.85,0.004
-HLUBCRKGXVBCMQ_on_P41594_WT,High,ChEMBL30,CHEMBL3702421,CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccn4C)C3=C2)cn1,HLUBCRKGXVBCMQ,HLUBCRKGXVBCMQ-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-15(2)19-13-28(14-26-19)21-11-20-17-5-4-6-18(23-24-8-10-27(23)3)16(17)7-9-29(20)22(30)12-25-21/h4-6,8,10-11,13-15H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:1,3,26,18,17,19,14,23,13,24,28,9,5,29,2,15,16,20,4,27,7,10,21,22,8,30,25,6,12,11/E:(1,2)/rA:30CCCCCNCNCCONCCCCCCCCCNCCNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s21s24;s25;s12s16;s7w?27;s6;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-HLUBCRKGXVBCMQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702421,CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccn4C)C3=C2)cn1,HLUBCRKGXVBCMQ,HLUBCRKGXVBCMQ-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-15(2)19-13-28(14-26-19)21-11-20-17-5-4-6-18(23-24-8-10-27(23)3)16(17)7-9-29(20)22(30)12-25-21/h4-6,8,10-11,13-15H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:1,3,26,18,17,19,14,23,13,24,28,9,5,29,2,15,16,20,4,27,7,10,21,22,8,30,25,6,12,11/E:(1,2)/rA:30CCCCCNCNCCONCCCCCCCCCNCCNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s21s24;s25;s12s16;s7w?27;s6;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HLUILDPLTLOJIW_on_P41594_WT,High,ChEMBL30,CHEMBL3702439,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncccc1F)ccc3,HLUILDPLTLOJIW,HLUILDPLTLOJIW-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-18-5-2-9-25-22(18)17-4-1-3-16-15(17)8-10-29-19(16)11-20(26-12-21(29)31)30-13-27-23(28-30)14-6-7-14/h1-5,9,11,13-14H,6-8,10,12H2","""AuxInfo=1/0/N:30,25,31,29,26,11,12,18,24,19,14,3,7,10,17,16,21,27,15,5,2,22,9,28,23,4,8,13,20,6,1/E:(6,7)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCCCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-HLUILDPLTLOJIW_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702439,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncccc1F)ccc3,HLUILDPLTLOJIW,HLUILDPLTLOJIW-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-18-5-2-9-25-22(18)17-4-1-3-16-15(17)8-10-29-19(16)11-20(26-12-21(29)31)30-13-27-23(28-30)14-6-7-14/h1-5,9,11,13-14H,6-8,10,12H2","""AuxInfo=1/0/N:30,25,31,29,26,11,12,18,24,19,14,3,7,10,17,16,21,27,15,5,2,22,9,28,23,4,8,13,20,6,1/E:(6,7)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCCCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HLYURPQZLYFESS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL509096,O=C1OCCN1Cc1ccc(OCC2CCCCC2)cc1,HLYURPQZLYFESS,HLYURPQZLYFESS-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c19-17-18(10-11-20-17)12-14-6-8-16(9-7-14)21-13-15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2","""AuxInfo=1/0/N:17,16,18,15,19,9,21,10,20,5,4,7,13,8,14,11,2,6,1,3,12/E:(2,3)(4,5)(6,7)(8,9)/rA:21OCOCCNCCCCCOCCCCCCCCC/rB:d1;s2;s3;s4;s2s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-HLZDHEMDKOSEBS_on_P41594_WT,High,ChEMBL30,CHEMBL2403656,O=S(=O)(N1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,HLZDHEMDKOSEBS,HLZDHEMDKOSEBS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S2/c23-26(24,21-12-5-2-6-13-21)22-14-11-17-18(15-22)25-19(20-17)10-9-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,11-15H2","""AuxInfo=1/0/N:23,7,22,24,6,8,21,25,19,18,12,5,9,11,15,20,13,14,17,26,4,10,1,3,16,2/E:(3,4)(5,6)(7,8)(12,13)(23,24)/CRV:26.6/rA:26OSONCCCCCNCCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-HLZMUESXDYVLTB_on_Q14833_WT,High,ChEMBL30,CHEMBL4067872,CN1CCCC12CCN(CCOc1ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c1)CC2,HLZMUESXDYVLTB,HLZMUESXDYVLTB-UHFFFAOYSA-N,"InChI=1S/C27H30N4O3S/c1-30-9-2-6-27(30)7-10-31(11-8-27)12-13-33-20-3-4-24-21(15-20)22(29-32)16-25(34-24)23-17-26-19(18-28-23)5-14-35-26/h3-5,14-18,32H,2,6-13H2,1H3","""AuxInfo=1/0/N:1,4,14,15,23,5,7,35,3,8,34,10,11,24,33,28,27,21,22,13,32,29,19,16,18,26,6,20,30,2,9,31,12,17,25/E:(7,8)(10,11)/rA:35CNCCCCCCNCCOCCCCOCCNCCCCSCCCCNOCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;d23;s24;s22s25;s19d26;d18;s28;w?29;s30;s16s29;s13d32;s9;s6s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-HMAPSFSRVHYAFC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3962592,CN(c1cccc(Cl)c1)c1c2ncccc2n[nH]1,HMAPSFSRVHYAFC,HMAPSFSRVHYAFC-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4/c1-18(10-5-2-4-9(14)8-10)13-12-11(16-17-13)6-3-7-15-12/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,5,14,6,4,15,13,9,7,3,16,11,10,8,12,17,18,2/rA:18CNCCCCCClCCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;s7;s3d7;s2;d10;s11;d12;s13;d14;s11s15;d16;s10s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-HMBLYNCMXUMYBE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960284,Cc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,HMBLYNCMXUMYBE,HMBLYNCMXUMYBE-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O/c1-13-24-8-9-26(13)12-14-2-7-17-18(15-3-5-16(22)6-4-15)11-20(21(23)27)25-19(17)10-14/h2-11H,12H2,1H3,(H2,23,27)","""AuxInfo=1/1/N:1,9,14,19,15,18,10,4,5,27,20,7,2,8,13,16,11,12,26,21,22,17,23,3,25,6,24/E:(3,4)(5,6)/rA:27CCNCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-HMEPCQJITOKZCB_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16661408;CHEMBL572135,CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1,HMEPCQJITOKZCB,HMEPCQJITOKZCB-UHFFFAOYSA-N,"InChI=1S/C16H12FN3OS/c1-20(15(21)11-5-7-12(17)8-6-11)16-19-14(10-22-16)13-4-2-3-9-18-13/h2-10H,1H3","""AuxInfo=1/0/N:1,17,18,16,6,11,7,10,19,21,5,8,15,14,3,12,9,20,13,2,4,22/E:(5,6)(7,8)/rA:22CNCOCCCCFCCCNCCCCCCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:449312;CHEMBL1046437,PMID:19674894,2009.0,PubChemAID:449312;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  8.222;  8.220,8.221,0.001,0.001,2.0,8.221,0.001
-HMEVLPUHGYITTB_on_P41594_WT,High,ChEMBL30,CHEMBL197724,O=S(=O)(c1ccc(Br)cc1)N1CC=C(C#Cc2ncccc2)CC1,HMEVLPUHGYITTB,HMEVLPUHGYITTB-UHFFFAOYSA-N,"InChI=1S/C18H15BrN2O2S/c19-16-5-8-18(9-6-16)24(22,23)21-13-10-15(11-14-21)4-7-17-3-1-2-12-20-17/h1-3,5-6,8-10,12H,11,13-14H2","""AuxInfo=1/0/N:21,20,22,15,6,9,16,5,10,13,23,19,12,24,14,7,17,4,8,18,11,1,3,2/E:(5,6)(8,9)(22,23)/CRV:24.6/rA:24OSOCCCCBrCCNCCCCCCNCCCCCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-HMFLICFUFAXQDQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL159675,N=C(C=Cc1ccccc1)NCc1c(OC(F)(F)F)cccc1,HMFLICFUFAXQDQ,HMFLICFUFAXQDQ-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2O/c18-17(19,20)23-15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,22,21,6,10,23,20,4,3,12,5,13,14,2,16,17,18,19,1,11,15/E:(2,3)(6,7)(18,19,20)/rA:23NCCCCCCCCCNCCCOCFFFCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;s16;s16;s16;s14;d20;s21;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-HMFLICFUFAXQDQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL159675,N=C(C=Cc1ccccc1)NCc1c(OC(F)(F)F)cccc1,HMFLICFUFAXQDQ,HMFLICFUFAXQDQ-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2O/c18-17(19,20)23-15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,22,21,6,10,23,20,4,3,12,5,13,14,2,16,17,18,19,1,11,15/E:(2,3)(6,7)(18,19,20)/rA:23NCCCCCCCCCNCCCOCFFFCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;s16;s16;s16;s14;d20;s21;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-HMHPAFJEDLYRGO_on_P41594_WT,High,ChEMBL30,CHEMBL3347670,NC1(C(=O)O)CC1CC(=O)O,HMHPAFJEDLYRGO,HMHPAFJEDLYRGO-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:8,6,7,9,3,2,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3391363;CHEMBL3391369,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,1;0,0,0;1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-HMHPAFJEDLYRGO_on_Q13255_WT,High,ChEMBL30,CHEMBL3347670,NC1(C(=O)O)CC1CC(=O)O,HMHPAFJEDLYRGO,HMHPAFJEDLYRGO-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:8,6,7,9,3,2,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3391365;CHEMBL3391359,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,0;1,0,1;0,0,,=,  5.210;  5.210,5.21,0.0,0.0,2.0,5.21,0.0
-HMHPAFJEDLYRGO_on_Q14416_WT,High,ChEMBL30,CHEMBL3347671;CHEMBL3347671;CHEMBL3347670;CHEMBL3347670,NC1(C(=O)O)CC1CC(=O)O,HMHPAFJEDLYRGO,HMHPAFJEDLYRGO-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:8,6,7,9,3,2,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3391366;CHEMBL3391360;CHEMBL3391360;CHEMBL3391366,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,0;1;1;0,0,1;0;0;1,0,,=,  4.980;  5.000;  4.640;  4.650,4.817,0.17300000000000001,0.1,4.0,4.815,0.17
-HMHPAFJEDLYRGO_on_Q14832_WT,Low,ChEMBL30,CHEMBL3347670,NC1(C(=O)O)CC1CC(=O)O,HMHPAFJEDLYRGO,HMHPAFJEDLYRGO-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:8,6,7,9,3,2,1,10,11,4,5/E:(8,9)(10,11)/rA:11NCCOOCCCCOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3391367;CHEMBL3391361,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,0;1,0,1;0,0,,=,  3.700;  3.699,3.7,0.001,0.001,2.0,3.7,0.001
-HMIRGJBPQPWWNW_on_P41594_WT,High,ChEMBL30,CHEMBL2151473,O=C(c1ccc(Cl)cc1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1,HMIRGJBPQPWWNW,HMIRGJBPQPWWNW-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-14-6-4-11(5-7-14)18(24)23-9-13(10-23)17-21-16(22-25-17)12-2-1-3-15(20)8-12/h1-8,13H,9-10H2","""AuxInfo=1/0/N:21,22,20,4,9,5,8,17,11,25,3,16,12,6,18,15,13,2,7,19,14,23,10,1,24/E:(4,5)(6,7)(9,10)/rA:25OCCCCCClCCNCCCNCCCCFCCCNOC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-HMJBSZQLTRIBQF_on_P14867_WT,Low,ChEMBL30,CHEMBL1091276,Cc1ccc(-c2nn(O)cc2C2CCNCC2)cc1,HMJBSZQLTRIBQF,HMJBSZQLTRIBQF-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,19,4,18,13,17,14,16,10,2,12,5,11,6,15,7,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:19CCCCCCNNOCCCCCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s8;s6d10;s11;s12;s13;s14;s15;s12s16;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-HMJBSZQLTRIBQF_on_P18507_WT,Low,ChEMBL30,CHEMBL1091276,Cc1ccc(-c2nn(O)cc2C2CCNCC2)cc1,HMJBSZQLTRIBQF,HMJBSZQLTRIBQF-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,19,4,18,13,17,14,16,10,2,12,5,11,6,15,7,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:19CCCCCCNNOCCCCCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s8;s6d10;s11;s12;s13;s14;s15;s12s16;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-HMJBSZQLTRIBQF_on_P47870_WT,Low,ChEMBL30,CHEMBL1091276,Cc1ccc(-c2nn(O)cc2C2CCNCC2)cc1,HMJBSZQLTRIBQF,HMJBSZQLTRIBQF-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,19,4,18,13,17,14,16,10,2,12,5,11,6,15,7,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:19CCCCCCNNOCCCCCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s8;s6d10;s11;s12;s13;s14;s15;s12s16;s5;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-HMRRNXHWVOACEA_on_P14867_WT,Low,ChEMBL30,CHEMBL1090919,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br,HMRRNXHWVOACEA,HMRRNXHWVOACEA-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O/c20-19-15(6-5-13-3-1-2-4-16(13)19)11-18-17(12-22-23(18)24)14-7-9-21-10-8-14/h1-6,12,14,21,24H,7-11H2","""AuxInfo=1/0/N:19,20,18,21,16,15,7,11,8,10,13,4,17,6,14,22,5,12,23,24,9,3,2,1/E:(7,8)(9,10)/rA:24ONNCCCCCNCCCCCCCCCCCCCCBr/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.320;  6.320,6.32,0.0,0.0,2.0,6.32,0.0
-HMRRNXHWVOACEA_on_P18507_WT,Low,ChEMBL30,CHEMBL1090919,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br,HMRRNXHWVOACEA,HMRRNXHWVOACEA-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O/c20-19-15(6-5-13-3-1-2-4-16(13)19)11-18-17(12-22-23(18)24)14-7-9-21-10-8-14/h1-6,12,14,21,24H,7-11H2","""AuxInfo=1/0/N:19,20,18,21,16,15,7,11,8,10,13,4,17,6,14,22,5,12,23,24,9,3,2,1/E:(7,8)(9,10)/rA:24ONNCCCCCNCCCCCCCCCCCCCCBr/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.320;  6.320,6.32,0.0,0.0,2.0,6.32,0.0
-HMRRNXHWVOACEA_on_P47870_WT,Low,ChEMBL30,CHEMBL1090919,On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br,HMRRNXHWVOACEA,HMRRNXHWVOACEA-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O/c20-19-15(6-5-13-3-1-2-4-16(13)19)11-18-17(12-22-23(18)24)14-7-9-21-10-8-14/h1-6,12,14,21,24H,7-11H2","""AuxInfo=1/0/N:19,20,18,21,16,15,7,11,8,10,13,4,17,6,14,22,5,12,23,24,9,3,2,1/E:(7,8)(9,10)/rA:24ONNCCCCCNCCCCCCCCCCCCCCBr/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.320;  6.320,6.32,0.0,0.0,2.0,6.32,0.0
-HMTVAZYSTOCXKI_on_Q14416_WT,High,ChEMBL30,CHEMBL595608,Cn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccc2,HMTVAZYSTOCXKI,HMTVAZYSTOCXKI-UHFFFAOYSA-N,"InChI=1S/C20H21F3N4/c1-25-18-5-3-2-4-17(18)24-19(25)14-26-10-12-27(13-11-26)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,11,17,10,18,6,20,7,19,4,12,9,22,23,3,13,14,15,16,21,2,5,8/E:(6,7)(8,9)(10,11)(12,13)(21,22,23)/rA:27CNCCNCCNCCCCCFFFCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.700;  5.200,5.95,0.75,0.75,2.0,5.95,0.75
-HMVCDVSUGCBEPA_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3969118,Clc1ccnc(Nc2c3ncccc3n[nH]2)c1,HMVCDVSUGCBEPA,HMVCDVSUGCBEPA-UHFFFAOYSA-N,"InChI=1S/C11H8ClN5/c12-7-3-5-13-9(6-7)15-11-10-8(16-17-11)2-1-4-14-10/h1-6H,(H2,13,15,16,17)","""AuxInfo=1/1/N:12,13,3,11,4,17,2,14,6,9,8,1,5,10,7,15,16/rA:17ClCCCNCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-HMVUJESUGTZTAI_on_P41594_WT,Medium,ChEMBL30,CHEMBL246235,CN1CC(=O)N=C1NC(=O)Nc1cscc1,HMVUJESUGTZTAI,HMVUJESUGTZTAI-UHFFFAOYSA-N,"InChI=1S/C9H10N4O2S/c1-13-4-7(14)11-8(13)12-9(15)10-6-2-3-16-5-6/h2-3,5H,4H2,1H3,(H2,10,11,12,14,15)","""AuxInfo=1/1/N:1,16,15,3,13,12,4,7,9,11,6,8,2,5,10,14/rA:16CNCCONCNCONCCSCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  5.400;  6.160,5.78,0.38,0.38,2.0,5.78,0.38
-HMWLZOIKORRPSN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11708325;CHEMBL201974,Cc1nc(C#Cc2cccc(O)c2)cs1,HMWLZOIKORRPSN,HMWLZOIKORRPSN-UHFFFAOYSA-N,"InChI=1S/C12H9NOS/c1-9-13-11(8-15-9)6-5-10-3-2-4-12(14)7-10/h2-4,7-8,14H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,13,14,2,7,4,11,3,12,15/rA:15CCNCCCCCCCCOCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.184;  6.180,6.182,0.002,0.002,2.0,6.182,0.002
-HMXXMRUSUGUVGR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71717117;CHEMBL2346736,Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1,HMXXMRUSUGUVGR,HMXXMRUSUGUVGR-UHFFFAOYSA-N,"InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-8-5-13(19)9-20-15)21-11(2)23(10)14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,20,22,24)","""AuxInfo=1/1/N:16,1,20,23,10,19,24,9,13,15,2,21,11,18,8,4,5,22,12,14,3,7,17,6/E:(3,4)(6,7)/rA:24CCNCCONCCCCFCNCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s11;s8d13;d4;s15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.054;  7.050,7.0520000000000005,0.002,0.002,2.0,7.0520000000000005,0.002
-HNAMZQHQZIBIFK_on_Q14833_WT,High,ChEMBL30,CHEMBL4079161,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cccc2,HNAMZQHQZIBIFK,HNAMZQHQZIBIFK-UHFFFAOYSA-N,"InChI=1S/C16H10N2O2S/c19-18-12-7-15(20-14-4-2-1-3-11(12)14)13-8-16-10(9-17-13)5-6-21-16/h1-9,19H","""AuxInfo=1/0/N:19,20,18,21,10,11,4,14,8,9,17,3,6,16,5,13,7,2,1,15,12/rA:21ONCCCCNCCCCSCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-HNBRTQIXHACHHR_on_Q14416_WT,High,ChEMBL30,CHEMBL4093792,Cc1nc(C)c(Oc2c(F)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)cc1,HNBRTQIXHACHHR,HNBRTQIXHACHHR-UHFFFAOYSA-N,"InChI=1S/C21H15ClF4N4O/c1-11-3-5-16(12(2)27-11)31-17-6-4-13(9-15(17)23)14-7-8-30-18(10-21(24,25)26)28-29-20(30)19(14)22/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:1,5,31,28,30,29,27,26,11,20,2,4,12,13,9,6,8,19,14,16,21,15,10,22,23,24,3,18,17,25,7/E:(24,25,26)/rA:31CCNCCCOCCFCCCCClCNNCCCFFFNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21;s21;s16s19;s25;s13d26;s12;s8d28;s6;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040510;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,1;0;0,0;1;0,0,,=,  8.480;  8.100;  7.530,8.037,0.39,0.276,3.0,8.1,0.38
-HNCAIEASLRMRKM_on_O15399_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_O60391_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_Q05586_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_Q12879_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_Q13224_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNCAIEASLRMRKM_on_Q14957_WT,Low,ChEMBL30,CHEMBL28997,Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,HNCAIEASLRMRKM,HNCAIEASLRMRKM-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,16,3,23,4,22,18,8,20,7,21,12,10,11,2,5,15,14,1,19,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23FCCCCNCCNCCCNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HNDHDSBIEUXKJJ_on_P41594_WT,High,ChEMBL30,CHEMBL3633955,O=C(c1ccc(Cl)cc1)N1CCCn2nc(COc3ccccc3)cc12,HNDHDSBIEUXKJJ,HNDHDSBIEUXKJJ-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2","""AuxInfo=1/0/N:22,21,23,12,20,24,4,9,5,8,11,13,25,17,3,6,16,19,26,2,7,15,10,14,1,18/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCCCClCCNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s10s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.410;  6.410,6.41,0.0,0.0,2.0,6.41,0.0
-HNFIYCVEOIXWEE_on_P41594_WT,High,ChEMBL30,CHEMBL4084362,N#Cc1cc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)cc(F)c1,HNFIYCVEOIXWEE,HNFIYCVEOIXWEE-UHFFFAOYSA-N,"InChI=1S/C19H12F2N4O2/c20-13-1-2-15(23-9-13)18-24-16-10-25(4-3-17(16)27-18)19(26)12-5-11(8-22)6-14(21)7-12/h1-2,5-7,9H,3-4,10H2","""AuxInfo=1/0/N:18,17,10,9,4,27,24,2,21,13,3,5,19,25,16,12,11,15,6,20,26,1,22,14,8,7,23/rA:27NCCCCCONCCCCCNCCCCCFCNOCCFC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;d14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d5;s24;s25;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-HNGRWUCKESPKRC_on_P14867_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-HNGRWUCKESPKRC_on_P18507_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.960;  8.920;  9.400;  8.700,8.995,0.254,0.147,4.0,8.94,0.13
-HNGRWUCKESPKRC_on_P28472_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.400;  8.960;  8.700;  8.920,8.995,0.254,0.147,4.0,8.94,0.13
-HNGRWUCKESPKRC_on_P31644_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-HNGRWUCKESPKRC_on_P34903_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-HNGRWUCKESPKRC_on_P47869_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-HNGRWUCKESPKRC_on_Q16445_WT,Low,ChEMBL30,CHEMBL267665,CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1,HNGRWUCKESPKRC,HNGRWUCKESPKRC-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,16,18,15,8,20,13,14,7,6,11,4,21,9,19,12,5,3/rA:21CCOCOCCCNCCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s13d17;s7s14;s19;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-HNKGGOINWLAPIU_on_P18507_WT,Low,ChEMBL30,CHEMBL196250,N#Cc1cccc(-c2cc(-c3c(F)cccc3)nnc2)c1,HNKGGOINWLAPIU,HNKGGOINWLAPIU-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-7-2-1-6-15(16)17-9-14(11-20-21-17)13-5-3-4-12(8-13)10-19/h1-9,11H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,21,9,2,20,3,7,8,11,12,10,13,1,19,18/rA:21NCCCCCCCCCCCFCCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.100;  8.470,8.285,0.185,0.185,2.0,8.285,0.185
-HNKGGOINWLAPIU_on_P28472_WT,Low,ChEMBL30,CHEMBL196250,N#Cc1cccc(-c2cc(-c3c(F)cccc3)nnc2)c1,HNKGGOINWLAPIU,HNKGGOINWLAPIU-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-7-2-1-6-15(16)17-9-14(11-20-21-17)13-5-3-4-12(8-13)10-19/h1-9,11H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,21,9,2,20,3,7,8,11,12,10,13,1,19,18/rA:21NCCCCCCCCCCCFCCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.470;  8.100,8.285,0.185,0.185,2.0,8.285,0.185
-HNKGGOINWLAPIU_on_P31644_WT,Low,ChEMBL30,CHEMBL196250,N#Cc1cccc(-c2cc(-c3c(F)cccc3)nnc2)c1,HNKGGOINWLAPIU,HNKGGOINWLAPIU-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-7-2-1-6-15(16)17-9-14(11-20-21-17)13-5-3-4-12(8-13)10-19/h1-9,11H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,21,9,2,20,3,7,8,11,12,10,13,1,19,18/rA:21NCCCCCCCCCCCFCCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-HNKGGOINWLAPIU_on_P34903_WT,Low,ChEMBL30,CHEMBL196250,N#Cc1cccc(-c2cc(-c3c(F)cccc3)nnc2)c1,HNKGGOINWLAPIU,HNKGGOINWLAPIU-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-7-2-1-6-15(16)17-9-14(11-20-21-17)13-5-3-4-12(8-13)10-19/h1-9,11H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,21,9,2,20,3,7,8,11,12,10,13,1,19,18/rA:21NCCCCCCCCCCCFCCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-HNLZVQGMQBRBJO_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1098391;46887322,CCc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,HNLZVQGMQBRBJO,HNLZVQGMQBRBJO-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-2-14-7-6-10-16(11-14)21-13-17-12-19(18(20)22-17)15-8-4-3-5-9-15/h3-11,17H,2,12-13H2,1H3","""AuxInfo=1/0/N:1,2,14,13,15,21,22,12,16,20,4,9,7,3,11,5,8,17,10,18,6,19/E:(4,5)(8,9)/rA:22CCCCCOCCCNCCCCCCCOOCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;d17;s8s17;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  6.440;  6.444,6.442,0.002,0.002,2.0,6.442,0.002
-HNQXWRRZOSDWNQ_on_P31644_WT,High,ChEMBL30,CHEMBL3681566,Cc1c(COc2ccc(C(=O)NCC(C)(C)O)cn2)c(-c2ccc(F)c(F)c2)no1,HNQXWRRZOSDWNQ,HNQXWRRZOSDWNQ-UHFFFAOYSA-N,"InChI=1S/C21H21F2N3O4/c1-12-15(19(26-30-12)13-4-6-16(22)17(23)8-13)10-29-18-7-5-14(9-24-18)20(27)25-11-21(2,3)28/h4-9,28H,10-11H2,1-3H3,(H,25,27)","""AuxInfo=1/1/N:1,15,16,22,8,23,7,28,18,4,13,2,21,9,3,24,26,6,20,10,14,25,27,19,12,29,11,17,5,30/E:(2,3)/rA:30CCCCOCCCCCONCCCCOCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s26;s21d26;d20;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-HNQZCUNPKHMCQJ_on_P14867_WT,Medium,ChEMBL30,CHEMBL485829,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=C=S)c3)-n2cn1,HNQZCUNPKHMCQJ,HNQZCUNPKHMCQJ-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,21,8,23,19,17,13,14,7,6,11,4,24,18,9,22,12,5,3,20/rA:24CCOCOCCCNCCOCCCCCNCSCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;d18;d19;s13d17;s7s14;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL952528;CHEMBL952530,PMID:17626010,2007.0,PMID:17626010,2007,0,0;1,1;0,0,0,,=,  6.060;  6.600,6.33,0.27,0.27,2.0,6.33,0.27
-HNQZRHWEEPDVON_on_P41594_WT,High,ChEMBL30,CHEMBL3655606,Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)n1,HNQZRHWEEPDVON,HNQZRHWEEPDVON-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-12-5-2-7-14(19-12)17(22)21-15-8-3-9-16(20-15)23-13-6-4-10-18-11-13/h2-11H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,12,18,3,17,5,11,13,19,21,2,16,6,10,14,7,20,23,22,9,8,15/rA:23CCCCCCCONCCCCCOCCCCNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-HNUPRYGERDVHFY_on_P41594_WT,High,ChEMBL30,CHEMBL258263,CNC(=O)c1cn2cc(C)nc(C#Cc3cccc(F)c3)c2c1,HNUPRYGERDVHFY,HNUPRYGERDVHFY-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O/c1-12-10-22-11-14(18(23)20-2)9-17(22)16(21-12)7-6-13-4-3-5-15(19)8-13/h3-5,8-11H,1-2H3,(H,20,23)","""AuxInfo=1/1/N:10,1,17,16,18,14,13,21,23,8,6,9,15,5,19,12,22,3,20,2,11,7,4/rA:23CNCOCCNCCCNCCCCCCCCFCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;t13;s14;d15;s16;d17;s18;s19;s15d19;s7s12;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-HNXIGOCDOCHMQV_on_O15399_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_O60391_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_Q05586_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_Q12879_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_Q13224_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HNXIGOCDOCHMQV_on_Q14957_WT,Low,ChEMBL30,CHEMBL128343,NCCCC12CC3CC(CC(C3)C1)C2,HNXIGOCDOCHMQV,HNXIGOCDOCHMQV-UHFFFAOYSA-N,"InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2","""AuxInfo=1/0/N:3,4,2,8,10,12,14,6,13,9,7,11,5,1/E:(4,5,6)(7,8,9)(10,11,12)/rA:14NCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-HOARSDISRSQYDP_on_O00222_WT,Medium,ChEMBL30,CHEMBL319732,CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,HOARSDISRSQYDP,HOARSDISRSQYDP-UHFFFAOYSA-N,"InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)","""AuxInfo=1/1/N:1,2,3,4,5,19,27,20,28,18,26,6,21,29,15,17,25,7,16,22,24,8,12,9,30,13,14,10,11,31,32,23/E:(6,7)(8,9)(10,11)(13,14)(16,17)(20,21)(28,29)(30,31)/rA:32CCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s16d24;s25;d26;s27;s24d28;s13;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HOARSDISRSQYDP_on_P41594_WT,Medium,ChEMBL30,CHEMBL319732,CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,HOARSDISRSQYDP,HOARSDISRSQYDP-UHFFFAOYSA-N,"InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)","""AuxInfo=1/1/N:1,2,3,4,5,19,27,20,28,18,26,6,21,29,15,17,25,7,16,22,24,8,12,9,30,13,14,10,11,31,32,23/E:(6,7)(8,9)(10,11)(13,14)(16,17)(20,21)(28,29)(30,31)/rA:32CCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s16d24;s25;d26;s27;s24d28;s13;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-HOARSDISRSQYDP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL319732,CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,HOARSDISRSQYDP,HOARSDISRSQYDP-UHFFFAOYSA-N,"InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)","""AuxInfo=1/1/N:1,2,3,4,5,19,27,20,28,18,26,6,21,29,15,17,25,7,16,22,24,8,12,9,30,13,14,10,11,31,32,23/E:(6,7)(8,9)(10,11)(13,14)(16,17)(20,21)(28,29)(30,31)/rA:32CCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s16d24;s25;d26;s27;s24d28;s13;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-HOARSDISRSQYDP_on_Q14831_WT,Medium,ChEMBL30,CHEMBL319732,CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,HOARSDISRSQYDP,HOARSDISRSQYDP-UHFFFAOYSA-N,"InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)","""AuxInfo=1/1/N:1,2,3,4,5,19,27,20,28,18,26,6,21,29,15,17,25,7,16,22,24,8,12,9,30,13,14,10,11,31,32,23/E:(6,7)(8,9)(10,11)(13,14)(16,17)(20,21)(28,29)(30,31)/rA:32CCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s16d24;s25;d26;s27;s24d28;s13;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-HOARSDISRSQYDP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL319732,CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,HOARSDISRSQYDP,HOARSDISRSQYDP-UHFFFAOYSA-N,"InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)","""AuxInfo=1/1/N:1,2,3,4,5,19,27,20,28,18,26,6,21,29,15,17,25,7,16,22,24,8,12,9,30,13,14,10,11,31,32,23/E:(6,7)(8,9)(10,11)(13,14)(16,17)(20,21)(28,29)(30,31)/rA:32CCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s16d24;s25;d26;s27;s24d28;s13;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-HOAUSCIFFXMGAW_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647575,COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F,HOAUSCIFFXMGAW,HOAUSCIFFXMGAW-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O3S/c1-30-20-10-15(31(2,28)29)6-7-16(20)17-9-13(3-8-19(17)23)18-11-25-26-22-21(18)24-12-27(22)14-4-5-14/h3,6-12,14H,4-5H2,1-2H3","""AuxInfo=1/0/N:1,7,28,26,27,10,11,29,14,4,17,23,15,25,5,12,13,16,30,3,21,20,31,22,18,19,24,8,9,2,6/E:(4,5)(28,29)/CRV:31.6/rA:31COCCCSCOOCCCCCCCCNNCCNCNCCCCCCF/rB:s1;s2;d3;s4;s5;s6;d6;d6;d5;s10;s3d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s20s23;s24;s25;s25s26;d15;s28;s13d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-HOBCOTOMKRKATH_on_P41594_WT,Medium,ChEMBL30,CHEMBL239595,O=C1COc2c(N1)c(C(=O)Nc1cc(Cl)ccc1)ccc2,HOBCOTOMKRKATH,HOBCOTOMKRKATH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O3/c16-9-3-1-4-10(7-9)17-15(20)11-5-2-6-12-14(11)18-13(19)8-21-12/h1-7H,8H2,(H,17,20)(H,18,19)","""AuxInfo=1/1/N:17,20,16,18,19,21,13,3,14,12,8,5,2,6,9,15,11,7,1,10,4/rA:21OCCOCCNCCONCCCClCCCCCC/rB:d1;s2;s3;s4;d5;s2s6;s6;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;d8;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-HODFXOIYAQPWHD_on_P14867_WT,Low,ChEMBL30,CHEMBL109774,CC(C)Cc1cc(CC(C)C)c(O)cc1,HODFXOIYAQPWHD,HODFXOIYAQPWHD-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)7-12-5-6-14(15)13(9-12)8-11(3)4/h5-6,9-11,15H,7-8H2,1-4H3","""AuxInfo=1/0/N:1,3,10,11,15,14,4,8,6,2,9,5,7,12,13/E:(1,2)(3,4)/rA:15CCCCCCCCCCCCOCC/rB:s1;s2;s2;s4;d5;s6;s7;s8;s9;s9;d7;s12;s12;s5d14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.500;  3.600,4.05,0.45,0.45,2.0,4.05,0.45
-HODFXOIYAQPWHD_on_P18507_WT,Low,ChEMBL30,CHEMBL109774,CC(C)Cc1cc(CC(C)C)c(O)cc1,HODFXOIYAQPWHD,HODFXOIYAQPWHD-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)7-12-5-6-14(15)13(9-12)8-11(3)4/h5-6,9-11,15H,7-8H2,1-4H3","""AuxInfo=1/0/N:1,3,10,11,15,14,4,8,6,2,9,5,7,12,13/E:(1,2)(3,4)/rA:15CCCCCCCCCCCCOCC/rB:s1;s2;s2;s4;d5;s6;s7;s8;s9;s9;d7;s12;s12;s5d14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.600;  4.500,4.05,0.45,0.45,2.0,4.05,0.45
-HODFXOIYAQPWHD_on_P47870_WT,Low,ChEMBL30,CHEMBL109774,CC(C)Cc1cc(CC(C)C)c(O)cc1,HODFXOIYAQPWHD,HODFXOIYAQPWHD-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)7-12-5-6-14(15)13(9-12)8-11(3)4/h5-6,9-11,15H,7-8H2,1-4H3","""AuxInfo=1/0/N:1,3,10,11,15,14,4,8,6,2,9,5,7,12,13/E:(1,2)(3,4)/rA:15CCCCCCCCCCCCOCC/rB:s1;s2;s2;s4;d5;s6;s7;s8;s9;s9;d7;s12;s12;s5d14;/rC:;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.600;  4.500,4.05,0.45,0.45,2.0,4.05,0.45
-HOFPALVKNDSITL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3944078,Cc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1,HOFPALVKNDSITL,HOFPALVKNDSITL-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-19(14-27-18-5-3-2-4-6-18)23-25-12-11-24(13-20(15)25)21(26)16-7-9-17(22)10-8-16/h2-10H,11-14H2,1H3","""AuxInfo=1/0/N:1,25,24,26,23,27,9,14,10,13,15,16,4,20,2,8,11,22,19,3,6,12,18,5,17,7,21/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCCNCOCCCCFCCCCNNCCOCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s3s16;s17;s2d18;s19;s20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-HOFUGOVMEVVHFG_on_P41594_WT,High,ChEMBL30,CHEMBL3644368,Cc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1,HOFUGOVMEVVHFG,HOFUGOVMEVVHFG-UHFFFAOYSA-N,"InChI=1S/C22H17F2N5O/c1-13-11-28(12-27-13)19-9-18-14-4-5-17(23)21(16-3-2-7-25-22(16)24)15(14)6-8-29(18)20(30)10-26-19/h2-5,7,9,11-12H,6,8,10H2,1H3","""AuxInfo=1/0/N:1,22,21,15,16,12,23,11,28,7,3,29,2,14,13,20,17,27,5,8,19,25,18,26,24,6,30,4,10,9/rA:30CCCNCNCCONCCCCCCCFCCCCCNCFCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s20d24;s25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HOFUGOVMEVVHFG_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644368,Cc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1,HOFUGOVMEVVHFG,HOFUGOVMEVVHFG-UHFFFAOYSA-N,"InChI=1S/C22H17F2N5O/c1-13-11-28(12-27-13)19-9-18-14-4-5-17(23)21(16-3-2-7-25-22(16)24)15(14)6-8-29(18)20(30)10-26-19/h2-5,7,9,11-12H,6,8,10H2,1H3","""AuxInfo=1/0/N:1,22,21,15,16,12,23,11,28,7,3,29,2,14,13,20,17,27,5,8,19,25,18,26,24,6,30,4,10,9/rA:30CCCNCNCCONCCCCCCCFCCCCCNCFCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s20d24;s25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOHKQQOZBQXJFV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952803,CN1c2c(ccc(C3CCCNC3)n2)N(CC2CC2(F)F)S1(=O)=O,HOHKQQOZBQXJFV,HOHKQQOZBQXJFV-UHFFFAOYSA-N,"InChI=1S/C15H20F2N4O2S/c1-20-14-13(5-4-12(19-14)10-3-2-6-18-8-10)21(24(20,22)23)9-11-7-15(11,16)17/h4-5,10-11,18H,2-3,6-9H2,1H3","""AuxInfo=1/0/N:1,10,9,6,5,11,18,13,16,8,17,7,4,3,19,20,21,12,14,2,15,23,24,22/E:(16,17)(22,23)/CRV:24.6/rA:24CNCCCCCCCCCNCNNCCCCFFSOO/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s3d7;s4;s15;s16;s17;s17s18;s19;s19;s2s15;d22;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-HOIGBDKXCADYRT_on_P31644_WT,High,ChEMBL30,CHEMBL3681459,COC(=O)c1ccc(OCc2c(C)onc2-c2cccnc2)nc1,HOIGBDKXCADYRT,HOIGBDKXCADYRT-UHFFFAOYSA-N,"InChI=1S/C17H15N3O4/c1-11-14(16(20-24-11)12-4-3-7-18-8-12)10-23-15-6-5-13(9-19-15)17(21)22-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,19,18,6,7,20,22,24,10,12,17,5,11,8,16,3,21,23,15,4,2,9,14/rA:24COCOCCCCOCCCCONCCCCCNCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-HOOJODKISSPNEE_on_P41594_WT,High,ChEMBL30,CHEMBL207021,Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccc(Cl)cc2)c1,HOOJODKISSPNEE,HOOJODKISSPNEE-UHFFFAOYSA-N,"InChI=1S/C22H16ClNO3/c1-14-10-17(24-21(25)19-4-2-3-5-20(19)22(24)26)12-18(11-14)27-13-15-6-8-16(23)9-7-15/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,11,12,10,13,21,26,22,25,3,27,16,19,2,20,23,4,17,9,8,14,6,24,5,15,7,18/E:(2,3)(4,5)(6,7)(8,9)(19,20)(21,22)(25,26)/rA:27CCCCNCOCCCCCCCOCCOCCCCCClCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s5s9;d14;d4;s16;s17;s18;s19;d20;s21;d22;s23;s23;s20d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-HOOWCUZPEFNHDT_on_P41594_WT,Medium,ChEMBL30,CHEMBL39221,NC(C(=O)O)c1cc(O)cc(O)c1,HOOWCUZPEFNHDT,HOOWCUZPEFNHDT-UHFFFAOYSA-N,"InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)","""AuxInfo=1/1/N:7,13,10,6,8,11,2,3,1,9,12,4,5/E:(1,2)(5,6)(10,11)(12,13)/rA:13NCCOOCCCOCCOC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;s11;s6d11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-HOOWCUZPEFNHDT_on_Q13255_WT,Medium,ChEMBL30,CHEMBL39221,NC(C(=O)O)c1cc(O)cc(O)c1,HOOWCUZPEFNHDT,HOOWCUZPEFNHDT-UHFFFAOYSA-N,"InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)","""AuxInfo=1/1/N:7,13,10,6,8,11,2,3,1,9,12,4,5/E:(1,2)(5,6)(10,11)(12,13)/rA:13NCCOOCCCOCCOC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s10;s11;s6d11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076;CHEMBL884508,PMID:10639281,1999.0,PMID:10893301;PMID:10639281,2000;1999,0,0;1,0,1;0,0,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-HOPCRSLMIVRJDL_on_P18507_WT,Low,ChEMBL30,CHEMBL437189,CC(C)(C)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,HOPCRSLMIVRJDL,HOPCRSLMIVRJDL-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-12(2,3)10-6-21(20-19-10)11-8(14)4-7(5-9(11)15)13(16,17)18/h4-6H,1-3H3","""AuxInfo=1/0/N:1,3,4,11,17,6,12,9,18,5,8,2,13,10,19,14,15,16,21,20,7/E:(1,2,3)(4,5)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-HOPCRSLMIVRJDL_on_P47869_WT,Low,ChEMBL30,CHEMBL437189,CC(C)(C)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,HOPCRSLMIVRJDL,HOPCRSLMIVRJDL-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-12(2,3)10-6-21(20-19-10)11-8(14)4-7(5-9(11)15)13(16,17)18/h4-6H,1-3H3","""AuxInfo=1/0/N:1,3,4,11,17,6,12,9,18,5,8,2,13,10,19,14,15,16,21,20,7/E:(1,2,3)(4,5)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-HOPCRSLMIVRJDL_on_P47870_WT,Low,ChEMBL30,CHEMBL437189,CC(C)(C)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,HOPCRSLMIVRJDL,HOPCRSLMIVRJDL-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-12(2,3)10-6-21(20-19-10)11-8(14)4-7(5-9(11)15)13(16,17)18/h4-6H,1-3H3","""AuxInfo=1/0/N:1,3,4,11,17,6,12,9,18,5,8,2,13,10,19,14,15,16,21,20,7/E:(1,2,3)(4,5)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-HOPPBDCZOOMPDL_on_O15399_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_O60391_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOPPBDCZOOMPDL_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193567,O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,HOPPBDCZOOMPDL,HOPPBDCZOOMPDL-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-19(18-9-5-2-6-10-18)16-24-21(20)11-13-22(14-12-21)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2","""AuxInfo=1/0/N:20,7,19,21,6,8,18,22,5,9,13,24,14,23,16,10,17,4,3,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24OCCCCCCCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;w?3;s10;s2s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HOQPYNBRMATVAD_on_P41594_WT,High,ChEMBL30,CHEMBL4087460,O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCC1,HOQPYNBRMATVAD,HOQPYNBRMATVAD-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2S/c23-25(24,16-9-3-1-4-10-16)19-15-21-18-12-6-5-11-17(18)20(19)22-13-7-2-8-14-22/h1,3-6,9-12,15H,2,7-8,13-14H2","""AuxInfo=1/0/N:7,23,6,8,16,15,22,24,5,9,17,14,21,25,11,4,18,13,10,19,12,20,1,3,2/E:(3,4)(7,8)(9,10)(13,14)(23,24)/CRV:25.6/rA:25OSOCCCCCCCCNCCCCCCCNCCCCC/rB:d1;d2;s2;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;d14;s15;d16;s13s17;s10d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-HOQUSTXYXSUJDG_on_P14867_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-HOQUSTXYXSUJDG_on_P18507_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.300;  8.890;  8.540;  8.640,8.843,0.293,0.16899999999999998,4.0,8.765,0.175
-HOQUSTXYXSUJDG_on_P28472_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL676826;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.890;  8.640;  9.300;  8.540,8.842,0.293,0.16899999999999998,4.0,8.765,0.175
-HOQUSTXYXSUJDG_on_P31644_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-HOQUSTXYXSUJDG_on_P34903_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-HOQUSTXYXSUJDG_on_P47869_WT,Low,ChEMBL30,CHEMBL292380,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1,HOQUSTXYXSUJDG,HOQUSTXYXSUJDG-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,23,22,17,20,4,18,9,10,5,8,15,21,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-HOSPXNOOTPIRNP_on_P14867_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HOSPXNOOTPIRNP_on_P18507_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL680669;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.680;  8.680;  7.580,7.647,0.818,0.578,3.0,7.58,0.9
-HOSPXNOOTPIRNP_on_P28472_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.680;  6.680;  7.580,7.647,0.818,0.578,3.0,7.58,0.9
-HOSPXNOOTPIRNP_on_P31644_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-HOSPXNOOTPIRNP_on_P34903_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HOSPXNOOTPIRNP_on_P47869_WT,Low,ChEMBL30,CHEMBL123072,Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1,HOSPXNOOTPIRNP,HOSPXNOOTPIRNP-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3","""AuxInfo=1/0/N:1,4,3,5,31,33,30,34,17,21,18,20,7,2,32,29,16,6,27,28,15,26,12,9,13,19,35,14,25,24,10,22,11,8,23/E:(5,6)(7,8)(9,10)(11,12)/rA:35CCCCCCCOCNNCCNCCCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-HOTHDLMXYUFPSZ_on_O00591_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_O14764_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P14867_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P18505_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P28472_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P31644_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P34903_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P47869_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P47870_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P48169_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_P78334_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOTHDLMXYUFPSZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL313267,Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2,HOTHDLMXYUFPSZ,HOTHDLMXYUFPSZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O4S/c1-11-15(19(23)24-7-5-12-2-3-12)17(21)16-13-4-6-20(25-8-9-26-20)10-14(13)27-18(16)22-11/h12H,2-10H2,1H3,(H2,21,22)","""AuxInfo=1/1/N:1,15,16,22,13,21,12,24,25,19,2,14,17,18,8,5,6,4,9,20,7,3,10,11,23,26,27/E:(2,3)(8,9)(25,26)/rA:27CCNCCCNCCOOCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;s13;s14;s14s15;s5;d17;s18;s19;s20;s17s21;s20;s23;s24;s20s25;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HOVXIRMSGPGRKG_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2338564;CHEMBL2338564;71716503,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccccc1,HOVXIRMSGPGRKG,HOVXIRMSGPGRKG-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:23,22,24,17,6,21,25,18,16,5,7,13,19,20,12,14,4,8,2,10,15,3,9,1,11/E:(2,3)(6,7)/rA:25OCNCCCCCNCOCCCClCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;CHEMBL2343303;PubChemAID:729738,PMID:23357634,2013.0,PMID:23357634;PMID:23357634;PubChemAID:729738,2013,1;0;0,0,0,0;1;0,0;0;1,,=,  6.640;  6.170;  6.642,6.484,0.222,0.157,3.0,6.64,0.002
-HOXKKBLQXUBSEI_on_P14867_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-HOXKKBLQXUBSEI_on_P18507_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.540;  8.220;  6.850;  7.100,7.428,0.52,0.3,4.0,7.32,0.345
-HOXKKBLQXUBSEI_on_P28472_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.220;  6.850;  7.100;  7.540,7.428,0.52,0.3,4.0,7.32,0.345
-HOXKKBLQXUBSEI_on_P31644_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-HOXKKBLQXUBSEI_on_P34903_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-HOXKKBLQXUBSEI_on_P47869_WT,Low,ChEMBL30,CHEMBL362869,COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,HOXKKBLQXUBSEI,HOXKKBLQXUBSEI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-7-4-5-17(13-19)22-26-27-23-20-15-8-10-16(11-9-15)21(20)24(28-29(22)23)31-14-18-6-2-3-12-25-18/h2-7,12-13,15-16H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,21,20,5,6,22,4,27,29,26,30,19,31,16,28,25,7,17,3,12,13,8,11,14,18,9,10,23,24,2,15/E:(8,9)(10,11)/rA:31COCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s8s11s23;s13;s25;s26;s12s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-HOXYFGSUNKVYSV_on_P14867_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-HOXYFGSUNKVYSV_on_P18507_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273619;CHEMBL1273618;CHEMBL1273616;CHEMBL1273620;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.370;  6.910;  5.700;  7.350;  5.700;  8.350,6.897,0.9490000000000001,0.424,6.0,7.13,0.73
-HOXYFGSUNKVYSV_on_P28472_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273616;CHEMBL1273620;CHEMBL1273617;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910;  8.350;  7.350;  5.700;  7.370;  5.700,6.897,0.9490000000000001,0.424,6.0,7.13,0.73
-HOXYFGSUNKVYSV_on_P31644_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-HOXYFGSUNKVYSV_on_P34903_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-HOXYFGSUNKVYSV_on_P47869_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-HOXYFGSUNKVYSV_on_P48169_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-HOXYFGSUNKVYSV_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269929,C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1,HOXYFGSUNKVYSV,HOXYFGSUNKVYSV-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2","""AuxInfo=1/0/N:1,2,4,5,23,10,21,15,3,22,9,6,11,8,12,16,17,18,19,20,7,13,14/E:(17,18,19)/rA:23CCCCCCNCCCCCOOCCFFFNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s16;s11;s8d20;s6s9;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-HPBYTOFDSULWOO_on_O00591_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_O14764_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P14867_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P18505_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P18507_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P28472_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P31644_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P34903_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P47869_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P47870_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P48169_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_P78334_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_Q16445_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPBYTOFDSULWOO_on_Q99928_WT,Low,ChEMBL30,CHEMBL74354,CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1,HPBYTOFDSULWOO,HPBYTOFDSULWOO-UHFFFAOYSA-N,"InChI=1S/C14H12FNO2/c1-10(17)16-13-9-11(15)7-8-14(13)18-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,12,9,13,15,14,18,2,16,8,5,6,17,4,3,7/E:(3,4)(5,6)/rA:18CCONCCOCCCCCCCCCFC/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s5d16;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL664303,PMID:15084121,2004.0,PMID:15084121,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPCFOCOTTGLLSI_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684234,O=C1NC(=O)c2c1ccc(C#Cc1cccc(F)c1)c2,HPCFOCOTTGLLSI,HPCFOCOTTGLLSI-UHFFFAOYSA-N,"InChI=1S/C16H8FNO2/c17-12-3-1-2-10(8-12)4-5-11-6-7-13-14(9-11)16(20)18-15(13)19/h1-3,6-9H,(H,18,19,20)","""AuxInfo=1/1/N:15,14,16,12,11,9,8,19,20,13,10,17,7,6,2,4,18,3,1,5/rA:20OCNCOCCCCCCCCCCCCFCC/rB:d1;s2;s3;d4;s4;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-HPFFYQXNPQPGFN_on_P31644_WT,High,ChEMBL30,CHEMBL3681595,CNC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1,HPFFYQXNPQPGFN,HPFFYQXNPQPGFN-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-10-12(15(21-24-10)13-5-6-18-9-20-13)8-23-14-4-3-11(7-19-14)16(22)17-2/h3-7,9H,8H2,1-2H3,(H,17,22)","""AuxInfo=1/1/N:13,1,6,7,18,19,24,10,21,12,5,11,17,8,16,3,2,20,23,22,15,4,9,14/rA:24CNCOCCCCOCCCCONCCCCNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-HPFOQVUPDHNGAR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3923126,COc1cc(F)c(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(F)c1,HPFOQVUPDHNGAR,HPFOQVUPDHNGAR-UHFFFAOYSA-N,"InChI=1S/C24H20F2N4O2/c1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)23-19(25)8-16(32-2)9-20(23)26/h5-12H,3-4H2,1-2H3,(H2,27,31)","""AuxInfo=1/1/N:26,1,20,21,18,17,29,4,32,9,23,28,25,19,22,3,16,8,5,30,15,10,7,11,6,31,12,24,27,14,13,2/E:(8,9)(11,12)(19,20)(25,26)(28,29)/rA:32COCCCFCCCCCNONCCCCCCCCCNCCNCCCFC/rB:s1;s2;d3;s4;s5;d5;s7;d8;s9;s10;s11;d11;d10;s14;s8d15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s15d19;s7;s30;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-HPHNVEMVLCFGPW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713321;CHEMBL2403700,O=C(C1CCCCO1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,HPHNVEMVLCFGPW,HPHNVEMVLCFGPW-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2S/c23-20(17-8-4-5-13-24-17)22-12-11-16-18(14-22)25-19(21-16)10-9-15-6-2-1-3-7-15/h1-3,6-7,17H,4-5,8,11-14H2","""AuxInfo=1/0/N:22,21,23,5,6,20,24,4,18,17,11,10,7,14,19,12,3,13,16,2,25,9,1,8,15/E:(2,3)(6,7)/rA:25OCCCCCCONCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  6.495;  6.500,6.497999999999999,0.002,0.002,2.0,6.497999999999999,0.002
-HPHOSEGYPGSDBM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3975380,CN1C(=O)N(c2ncc(C#Cc3ccc(F)c(F)c3)cn2)CC1(C)C,HPHOSEGYPGSDBM,HPHOSEGYPGSDBM-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-18(2)11-24(17(25)23(18)3)16-21-9-13(10-22-16)5-4-12-6-7-14(19)15(20)8-12/h6-10H,11H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,10,13,14,19,8,20,22,12,9,15,17,6,3,23,16,18,7,21,2,5,4/E:(1,2)(9,10)(21,22)/rA:25CNCONCNCCCCCCCCFCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s17;s12d17;s9;s6d20;s5;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-HPJPLLWRGHKXHY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1258773;49782369,c1ccc(N2CCc3c(C2)nc(-c2ccccn2)o3)cc1,HPJPLLWRGHKXHY,HPJPLLWRGHKXHY-UHFFFAOYSA-N,"InChI=1S/C17H15N3O/c1-2-6-13(7-3-1)20-11-9-16-15(12-20)19-17(21-16)14-8-4-5-10-18-14/h1-8,10H,9,11-12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,7,17,6,10,4,13,9,8,12,18,11,5,19/E:(2,3)(6,7)/rA:21CCCCNCCCCCNCCCCCCNOCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s5s9;s9;d11;s12;d13;s14;d15;s16;s13d17;s8s12;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400;PubChemAID:516922,PMID:20809633,2010.0,PMID:20809633;PubChemAID:516922,2010;2011,1;0,0,0,0,0;1,,=,  6.480;  6.481,6.481,0.0,0.0,2.0,6.481,0.0
-HPNMDJGBYAGWBA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3593892,CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,HPNMDJGBYAGWBA,HPNMDJGBYAGWBA-UHFFFAOYSA-N,"""InChI=1S/C23H40O4S.C5H5N/c1-5-15(2)19-8-9-20-18-7-6-16-14-17(27-28(24,25)26)10-12-22(16,3)21(18)11-13-23(19,20)4;1-2-4-6-5-3-1/h15-21H,5-14H2,1-4H3,(H,24,25,26);1-5H""","""AuxInfo=1/1/N:1,4,23,28,2,11,10,6,7,20,25,21,26,13,3,12,14,9,5,8,24,22,27,17,18,19,15,16;29,30,34,31,33,32/E:(24,25,26);(2,3)(4,5)/CRV:28.6;/rA:34CCCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;d16;s16;s14;s20;s12s21;s22;s9s22;s24;s25;s5s8s26;s27;;d29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-HPNMDJGBYAGWBA_on_Q13224_WT,Low,ChEMBL30,CHEMBL3593892,CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,HPNMDJGBYAGWBA,HPNMDJGBYAGWBA-UHFFFAOYSA-N,"""InChI=1S/C23H40O4S.C5H5N/c1-5-15(2)19-8-9-20-18-7-6-16-14-17(27-28(24,25)26)10-12-22(16,3)21(18)11-13-23(19,20)4;1-2-4-6-5-3-1/h15-21H,5-14H2,1-4H3,(H,24,25,26);1-5H""","""AuxInfo=1/1/N:1,4,23,28,2,11,10,6,7,20,25,21,26,13,3,12,14,9,5,8,24,22,27,17,18,19,15,16;29,30,34,31,33,32/E:(24,25,26);(2,3)(4,5)/CRV:28.6;/rA:34CCCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;d16;s16;s14;s20;s12s21;s22;s9s22;s24;s25;s5s8s26;s27;;d29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-HPSYRHGWSUSMPI_on_Q13255_WT,High,ChEMBL30,CHEMBL2397342,CC1CN(c2ccc(F)cn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,HPSYRHGWSUSMPI,HPSYRHGWSUSMPI-UHFFFAOYSA-N,"InChI=1S/C21H28FN3O/c1-14-13-24(19-3-2-18(22)12-23-19)4-5-25(14)20(26)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-3,12,14-17H,4-11,13H2,1H3","""AuxInfo=1/0/N:1,7,6,12,13,20,22,24,26,18,25,10,3,2,21,19,23,8,5,15,17,9,11,4,14,16/E:(6,7,8)(9,10,11)(15,16,17)/rA:26CCCNCCCCFCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.380;  6.380,6.38,0.0,0.0,2.0,6.38,0.0
-HPUYYHXUYOZNBL_on_Q14416_WT,High,ChEMBL30,CHEMBL4108213,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cn4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,HPUYYHXUYOZNBL,HPUYYHXUYOZNBL-UHFFFAOYSA-N,"InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)19-11-32(31-30-19)10-12-3-5-14-15(16-6-4-13(23)9-28-16)8-18(20(27)33)29-17(14)7-12/h3-9,11,34H,2,10H2,1H3,(H2,27,33)","""AuxInfo=1/1/N:1,2,10,16,11,15,28,21,19,8,6,9,17,12,13,14,27,22,5,23,3,31,18,32,33,34,24,20,26,30,29,7,25,4/E:(24,25,26)/rA:34CCCOCCNCCCCCCCCCCFCNCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-HPVBPQOQGYEGKT_on_P41594_WT,High,ChEMBL30,CHEMBL3644374,O=C1CN=C(n2cnc(-c3ncco3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,HPVBPQOQGYEGKT,HPVBPQOQGYEGKT-UHFFFAOYSA-N,"InChI=1S/C24H17FN6O2/c25-23-18(5-2-7-26-23)15-3-1-4-17-16(15)6-9-31-20(17)11-21(28-12-22(31)32)30-13-19(29-14-30)24-27-8-10-33-24/h1-5,7-8,10-11,13-14H,6,9,12H2","""AuxInfo=1/0/N:32,26,31,33,25,20,27,12,21,13,16,3,15,7,23,19,18,24,9,17,5,2,29,10,30,28,11,4,8,6,22,1,14/rA:33OCCNCNCNCCNCCOCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;d24;s25;d26;s27;s24d28;s29;d23;s31;s18d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-HPVBPQOQGYEGKT_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644374,O=C1CN=C(n2cnc(-c3ncco3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,HPVBPQOQGYEGKT,HPVBPQOQGYEGKT-UHFFFAOYSA-N,"InChI=1S/C24H17FN6O2/c25-23-18(5-2-7-26-23)15-3-1-4-17-16(15)6-9-31-20(17)11-21(28-12-22(31)32)30-13-19(29-14-30)24-27-8-10-33-24/h1-5,7-8,10-11,13-14H,6,9,12H2","""AuxInfo=1/0/N:32,26,31,33,25,20,27,12,21,13,16,3,15,7,23,19,18,24,9,17,5,2,29,10,30,28,11,4,8,6,22,1,14/rA:33OCCNCNCNCCNCCOCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;d24;s25;d26;s27;s24d28;s29;d23;s31;s18d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HPVQGFYVDDQOET_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1289465;52948810,O=C(COCc1ccncc1)N1CCC(c2ccc(F)cc2Cl)CC1,HPVQGFYVDDQOET,HPVQGFYVDDQOET-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN2O2/c20-18-11-16(21)1-2-17(18)15-5-9-23(10-6-15)19(24)13-25-12-14-3-7-22-8-4-14/h1-4,7-8,11,15H,5-6,9-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,14,24,8,10,13,25,21,5,3,6,15,19,16,22,2,23,20,9,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCCCCCCFCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  6.430;  6.432,6.431,0.001,0.001,2.0,6.431,0.001
-HPXSKODGNCBYRZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3945166,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(C4CC4)nc2)c3F)cn1,HPXSKODGNCBYRZ,HPXSKODGNCBYRZ-UHFFFAOYSA-N,"InChI=1S/C22H19FN6O/c1-29-11-15(10-27-29)17-7-18(21(24)30)28-20-16(17)5-4-14(19(20)23)6-12-8-25-22(26-9-12)13-2-3-13/h4-5,7-11,13H,2-3,6H2,1H3,(H2,24,30)","""AuxInfo=1/1/N:1,23,24,15,14,17,6,19,26,29,3,18,22,16,4,13,5,7,27,12,8,21,28,9,20,25,30,11,2,10/E:(2,3)(8,9)(25,26)/rA:30CNCCCCCCNONCCCCCCCCNCCCCNCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s22s23;s21;s18d25;s12d16;s27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-HQBVAJAFUUNQDF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,46932857;CHEMBL1258893,N#Cc1cc(N2CCc3c(C2)nc(-c2ccccn2)o3)ccc1,HQBVAJAFUUNQDF,HQBVAJAFUUNQDF-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-17-16(12-22)21-18(23-17)15-6-1-2-8-20-15/h1-6,8,10H,7,9,12H2","""AuxInfo=1/0/N:16,17,22,23,21,15,8,18,7,4,2,11,3,5,14,10,9,13,1,19,12,6,20/rA:23NCCCCNCCCCCNCCCCCCNOCCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s6s10;s10;d12;s13;d14;s15;d16;s17;s14d18;s9s13;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:516922;CHEMBL1259400,PMID:20809633,2010.0,PubChemAID:516922;PMID:20809633,2011;2010,0;1,0,0,0,1;0,,=,  7.222;  7.220,7.221,0.001,0.001,2.0,7.221,0.001
-HQCFOKBDGJUVDT_on_P18507_WT,Low,ChEMBL30,CHEMBL394710,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21,HQCFOKBDGJUVDT,HQCFOKBDGJUVDT-UHFFFAOYSA-N,"InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3","""AuxInfo=1/0/N:1,35,12,26,2,34,4,32,5,31,18,19,8,36,41,38,3,33,7,29,6,30,14,23,13,24,9,27,15,21,40,39,11,25,42,37,10,28,16,22,17,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCCCCCCONCCCCOOCCOCOCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s19;s20;d21;s21;d23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s24s30;s37;s23d38;s14;d40;s6s13s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-HQCFOKBDGJUVDT_on_P28472_WT,Low,ChEMBL30,CHEMBL394710,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21,HQCFOKBDGJUVDT,HQCFOKBDGJUVDT-UHFFFAOYSA-N,"InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3","""AuxInfo=1/0/N:1,35,12,26,2,34,4,32,5,31,18,19,8,36,41,38,3,33,7,29,6,30,14,23,13,24,9,27,15,21,40,39,11,25,42,37,10,28,16,22,17,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCCCCCCONCCCCOOCCOCOCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s19;s20;d21;s21;d23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s24s30;s37;s23d38;s14;d40;s6s13s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-HQCFOKBDGJUVDT_on_P31644_WT,Low,ChEMBL30,CHEMBL394710,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21,HQCFOKBDGJUVDT,HQCFOKBDGJUVDT-UHFFFAOYSA-N,"InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3","""AuxInfo=1/0/N:1,35,12,26,2,34,4,32,5,31,18,19,8,36,41,38,3,33,7,29,6,30,14,23,13,24,9,27,15,21,40,39,11,25,42,37,10,28,16,22,17,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCCCCCCONCCCCOOCCOCOCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s19;s20;d21;s21;d23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s24s30;s37;s23d38;s14;d40;s6s13s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-HQCFOKBDGJUVDT_on_P48169_WT,Low,ChEMBL30,CHEMBL394710,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21,HQCFOKBDGJUVDT,HQCFOKBDGJUVDT-UHFFFAOYSA-N,"InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3","""AuxInfo=1/0/N:1,35,12,26,2,34,4,32,5,31,18,19,8,36,41,38,3,33,7,29,6,30,14,23,13,24,9,27,15,21,40,39,11,25,42,37,10,28,16,22,17,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCCCCCCONCCCCOOCCOCOCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s19;s20;d21;s21;d23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s24s30;s37;s23d38;s14;d40;s6s13s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL991892,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  5.824,5.824,0.0,0.0,1.0,5.824,0.0
-HQCFOKBDGJUVDT_on_Q16445_WT,Low,ChEMBL30,CHEMBL394710,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21,HQCFOKBDGJUVDT,HQCFOKBDGJUVDT-UHFFFAOYSA-N,"InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3","""AuxInfo=1/0/N:1,35,12,26,2,34,4,32,5,31,18,19,8,36,41,38,3,33,7,29,6,30,14,23,13,24,9,27,15,21,40,39,11,25,42,37,10,28,16,22,17,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCCCCCCONCCCCOOCCOCOCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s19;s20;d21;s21;d23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s24s30;s37;s23d38;s14;d40;s6s13s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL991893,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  5.824,5.824,0.0,0.0,1.0,5.824,0.0
-HQFHZSUTMQDFLT_on_P41594_WT,High,ChEMBL30,CHEMBL3644424,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cocn1)ccc3,HQFHZSUTMQDFLT,HQFHZSUTMQDFLT-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-9-23-21(26-10-18(24-12-26)14-4-5-14)8-20-17-3-1-2-16(19-11-29-13-25-19)15(17)6-7-27(20)22/h1-3,8,10-14H,4-7,9H2","""AuxInfo=1/0/N:28,27,29,11,12,18,19,14,3,13,23,7,25,10,17,21,16,9,22,15,5,2,4,8,26,6,20,1,24/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCOCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQFHZSUTMQDFLT_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644424,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cocn1)ccc3,HQFHZSUTMQDFLT,HQFHZSUTMQDFLT-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-9-23-21(26-10-18(24-12-26)14-4-5-14)8-20-17-3-1-2-16(19-11-29-13-25-19)15(17)6-7-27(20)22/h1-3,8,10-14H,4-7,9H2","""AuxInfo=1/0/N:28,27,29,11,12,18,19,14,3,13,23,7,25,10,17,21,16,9,22,15,5,2,4,8,26,6,20,1,24/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCOCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HQJLJWGABWOSHH_on_O15399_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-HQJLJWGABWOSHH_on_O60391_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-HQJLJWGABWOSHH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-HQJLJWGABWOSHH_on_Q05586_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750561;CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400;  8.130;  5.800,7.11,0.973,0.688,3.0,7.4,0.73
-HQJLJWGABWOSHH_on_Q12879_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400;  8.130,7.765,0.365,0.365,2.0,7.765,0.365
-HQJLJWGABWOSHH_on_Q13224_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.130;  5.800,6.965,1.165,1.165,2.0,6.965,1.165
-HQJLJWGABWOSHH_on_Q14957_WT,Low,ChEMBL30,CHEMBL12256,O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12,HQJLJWGABWOSHH,HQJLJWGABWOSHH-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,17,10,14,16,18,8,7,9,15,19,26,21,23,5,6,20,25,22,24,1,3,4,2/E:(2,3)(5,6)(23,24,25)/rA:26OPOOCNCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;d19;s20;s21;d21;s23;s23;s15s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-HQJSGBKPXYZTRN_on_O00591_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_O14764_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P14867_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P18505_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P18507_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P28472_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P31644_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P34903_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P47869_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P47870_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P48169_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_P78334_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_Q16445_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQJSGBKPXYZTRN_on_Q99928_WT,Low,ChEMBL30,CHEMBL9819,CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1,HQJSGBKPXYZTRN,HQJSGBKPXYZTRN-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,20,21,17,5,11,18,8,7,3,9,19,6,2,4,10/E:(3,4)(5,6)/rA:21CNCOCNCCCOCCCCCCCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8;d17;s18;s18;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-HQMDCMIPCJVWRJ_on_P41594_WT,High,ChEMBL30,CHEMBL3672905,Cc1cn2nc(C(=O)N3CCc4c(CC3)scn4)cc2nc1,HQMDCMIPCJVWRJ,HQMDCMIPCJVWRJ-UHFFFAOYSA-N,"InChI=1S/C15H15N5OS/c1-10-7-16-14-6-12(18-20(14)8-10)15(21)19-4-2-11-13(3-5-19)22-9-17-11/h6-9H,2-5H2,1H3","""AuxInfo=1/0/N:1,11,14,10,15,19,22,3,17,2,12,6,13,20,7,21,18,5,9,4,8,16/rA:22CCCNNCCONCCCCCCSCNCCNC/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s13;s9s14;s13;s16;s12d17;s6;s4d19;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-HQOMLTLQWBDVRA_on_Q13224_WT,High,ChEMBL30,CHEMBL55317,c1ccc(CCCNC2Cc3c(cccc3)C2)cc1,HQOMLTLQWBDVRA,HQOMLTLQWBDVRA-UHFFFAOYSA-N,"InChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2","""AuxInfo=1/0/N:1,2,19,14,15,6,3,18,5,13,16,7,17,10,4,12,11,9,8/E:(2,3)(4,5)(7,8)(10,11)(13,14)(16,17)/rA:19CCCCCCCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4685218,PMID:32070917,2020.0,PMID:32070917,2020,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-HQSAJPPYHDESIU_on_P41594_WT,High,ChEMBL30,CHEMBL3660237,Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1,HQSAJPPYHDESIU,HQSAJPPYHDESIU-UHFFFAOYSA-N,"InChI=1S/C14H11N5O2S/c1-9-7-22-14(18-9)19-13(20)12-4-10(2-3-17-12)21-11-5-15-8-16-6-11/h2-8H,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,19,20,10,14,18,3,16,2,11,13,9,7,5,15,17,21,22,6,8,12,4/E:(5,6)(15,16)/rA:22CCCSCNCOCCCOCCNCNCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s19;s9d20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-HQTAUDRHEUIJTC_on_Q14416_WT,High,ChEMBL30,CHEMBL3616857;CHEMBL3616857;CHEMBL3616857;CHEMBL3616850;CHEMBL3616850;CHEMBL3616850,NC1(C(=O)O)CC(Sc2n[nH]c(C(F)F)n2)C2C(C(=O)O)C21,HQTAUDRHEUIJTC,HQTAUDRHEUIJTC-UHFFFAOYSA-N,"InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)","""AuxInfo=1/1/N:6,7,17,18,22,13,12,19,3,9,2,14,15,1,16,11,10,20,21,4,5,8/E:(12,13)(18,19)(20,21)/rA:22NCCOOCCSCNNCCFFNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s12;s13;s13;s9d12;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619269;CHEMBL3619407;CHEMBL3619271;CHEMBL3619407;CHEMBL3619271;CHEMBL3619269,PMID:26313429,2015.0,PMID:26313429,2015,0,0;1;1;1;1;0,0,1;0;0;0;0;1,0,,=,  7.870;  8.200;  9.240;  7.270;  7.930;  7.020,7.922000000000001,0.7140000000000001,0.319,6.0,7.9,0.465
-HQTAUDRHEUIJTC_on_Q14832_WT,High,ChEMBL30,CHEMBL3616857;CHEMBL3616850;CHEMBL3616857;CHEMBL3616857;CHEMBL3616850;CHEMBL3616850;CHEMBL3616850,NC1(C(=O)O)CC(Sc2n[nH]c(C(F)F)n2)C2C(C(=O)O)C21,HQTAUDRHEUIJTC,HQTAUDRHEUIJTC-UHFFFAOYSA-N,"InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)","""AuxInfo=1/1/N:6,7,17,18,22,13,12,19,3,9,2,14,15,1,16,11,10,20,21,4,5,8/E:(12,13)(18,19)(20,21)/rA:22NCCOOCCSCNNCCFFNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s12;s13;s13;s9d12;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619410;CHEMBL3619412;CHEMBL3619270;CHEMBL3619416;CHEMBL3619416;CHEMBL3619410;CHEMBL3619270,PMID:26313429,2015.0,PMID:26313429,2015,0;1;0;1;1;0;0,1;0;0;0;0;1;0,0,0;0;1;0;0;0;1,0,,=,  7.560;  6.340;  7.240;  6.610;  6.810;  7.110;  7.200,6.981,0.386,0.158,7.0,7.11,0.3
-HQWJYEAGVWIPAU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628095,Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,HQWJYEAGVWIPAU,HQWJYEAGVWIPAU-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-6-9-17(27-11)18(24)22-12-7-8-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,20,18,21,3,10,11,4,26,2,9,17,16,24,12,5,6,22,14,25,8,13,7,23,15,27/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s13s17;d22;s12;s24;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-HQXOIYFDGVRGQN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3902311,O=C1OC2(CCC2)CN1c1ccc(C#Cc2ccccc2)cn1,HQXOIYFDGVRGQN,HQXOIYFDGVRGQN-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18-21(14-19(23-18)11-4-12-19)17-10-9-16(13-20-17)8-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13H,4,11-12,14H2","""AuxInfo=1/0/N:19,18,20,6,17,21,15,14,12,11,5,7,22,8,16,13,10,2,4,23,9,1,3/E:(2,3)(5,6)(11,12)/rA:23OCOCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s4s6;s4;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-HQXPCHZUQMTZKU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010883,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,HQXPCHZUQMTZKU,HQXPCHZUQMTZKU-UHFFFAOYSA-N,"InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)","""AuxInfo=1/1/N:11,10,12,20,21,9,13,3,4,19,22,17,8,16,2,5,15,7,1,6,14,18/E:(2,3)(4,5)(6,7)(10,11)/rA:22FCCCCNCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-HQXPCHZUQMTZKU_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2010883;70685177,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,HQXPCHZUQMTZKU,HQXPCHZUQMTZKU-UHFFFAOYSA-N,"InChI=1S/C18H18FN3/c19-15-8-9-16-17(14(15)12-22-10-4-5-11-22)21-18(20-16)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,20,21)","""AuxInfo=1/1/N:11,10,12,20,21,9,13,3,4,19,22,17,8,16,2,5,15,7,1,6,14,18/E:(2,3)(4,5)(6,7)(10,11)/rA:22FCCCCNCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-HRAMGXORLGQLPY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3940665,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2N)c3)c(F)c1,HRAMGXORLGQLPY,HRAMGXORLGQLPY-UHFFFAOYSA-N,"InChI=1S/C25H23FN4O2/c1-14(10-16-4-3-9-29-24(16)27)15-5-7-19-20(13-23(25(28)31)30-22(19)11-15)18-8-6-17(32-2)12-21(18)26/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31)","""AuxInfo=1/1/N:20,1,24,23,17,4,16,5,25,21,29,32,8,19,18,22,3,6,15,7,30,14,9,27,10,31,28,11,26,13,12,2/rA:32COCCCCCCCCNONCCCCCCCCCCCCNCNCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s22d26;s27;s14d18;s6;s30;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.480;  7.850,7.665,0.185,0.185,2.0,7.665,0.185
-HRCGALIBZZWWEE_on_P18507_WT,Low,ChEMBL30,CHEMBL189596,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(C)cc2)n1,HRCGALIBZZWWEE,HRCGALIBZZWWEE-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-3-23-19(22)17-13-21(16-7-5-4-6-8-16)18(20-17)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,20,2,12,11,13,10,14,18,21,17,22,7,19,16,9,6,15,4,23,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:23CCOCOCCNCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-HRCGALIBZZWWEE_on_P47869_WT,Low,ChEMBL30,CHEMBL189596,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(C)cc2)n1,HRCGALIBZZWWEE,HRCGALIBZZWWEE-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-3-23-19(22)17-13-21(16-7-5-4-6-8-16)18(20-17)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,20,2,12,11,13,10,14,18,21,17,22,7,19,16,9,6,15,4,23,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:23CCOCOCCNCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-HRCGALIBZZWWEE_on_P47870_WT,Low,ChEMBL30,CHEMBL189596,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(C)cc2)n1,HRCGALIBZZWWEE,HRCGALIBZZWWEE-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-3-23-19(22)17-13-21(16-7-5-4-6-8-16)18(20-17)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,20,2,12,11,13,10,14,18,21,17,22,7,19,16,9,6,15,4,23,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:23CCOCOCCNCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-HREIDODLGNVUBD_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,57881832;CHEMBL2205373,O=c1c2c(ncn1C1CCCCC1)c1c(ncnc1NC1CC1)s2,HREIDODLGNVUBD,HREIDODLGNVUBD-UHFFFAOYSA-N,"InChI=1S/C17H19N5OS/c23-17-14-13(20-9-22(17)11-4-2-1-3-5-11)12-15(21-10-6-7-10)18-8-19-16(12)24-14/h8-11H,1-7H2,(H,18,19,21)","""AuxInfo=1/1/N:11,10,12,9,13,22,23,17,6,21,8,14,4,3,19,15,2,18,16,5,20,7,1,24/E:(2,3)(4,5)(6,7)/rA:24OCCCNCNCCCCCCCCNCNCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;d16;s17;s14d18;s19;s20;s21;s21s22;s3s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  7.155;  7.160,7.1579999999999995,0.002,0.002,2.0,7.1579999999999995,0.002
-HRGOFLINZMTKIK_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL184917;11646457,Cc1c(OCCCCSc2cnccc2)ccc(C(=O)CC(C)C)c1O,HRGOFLINZMTKIK,HRGOFLINZMTKIK-UHFFFAOYSA-N,"InChI=1S/C21H27NO3S/c1-15(2)13-19(23)18-8-9-20(16(3)21(18)24)25-11-4-5-12-26-17-7-6-10-22-14-17/h6-10,14-15,24H,4-5,11-13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,6,7,14,15,17,16,13,5,8,21,11,22,2,10,18,19,3,25,12,20,26,4,9/E:(1,2)/rA:26CCCOCCCCSCCNCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s3;d16;s17;s18;d19;s19;s21;s22;s22;s2d18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  5.960;  5.961,5.96,0.001,0.001,2.0,5.96,0.001
-HRIDAJBBAATPGT_on_P41594_WT,High,ExCAPE-DB,16007001,Cc1nc(NC(=O)c2cccc(C#N)c2)ccc1,HRIDAJBBAATPGT,HRIDAJBBAATPGT-UHFFFAOYSA-N,"InChI=1S/C14H11N3O/c1-10-4-2-7-13(16-10)17-14(18)12-6-3-5-11(8-12)9-15/h2-8H,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,17,10,18,11,9,16,15,13,2,12,8,4,6,14,3,5,7/rA:18CCNCNCOCCCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;t13;s8d12;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:267556,PMID:16678408,2006.0,PubChemAID:267556,2010,0,0,0,0,1,,=,  5.273,5.273,0.0,0.0,1.0,5.273,0.0
-HRIYEGUZEJBTMT_on_P41594_WT,High,ChEMBL30,CHEMBL2403668,O=C1c2c(CN1C1CC1)nc(C#Cc1ccccc1)s2,HRIYEGUZEJBTMT,HRIYEGUZEJBTMT-UHFFFAOYSA-N,"InChI=1S/C16H12N2OS/c19-16-15-13(10-18(16)12-7-8-12)17-14(20-15)9-6-11-4-2-1-3-5-11/h1-5,12H,7-8,10H2","""AuxInfo=1/0/N:17,16,18,15,19,13,8,9,12,5,14,7,4,11,3,2,10,6,1,20/E:(2,3)(4,5)(7,8)/rA:20OCCCCNCCCNCCCCCCCCCS/rB:d1;s2;d3;s4;s2s5;s6;s7;s7s8;s4;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s3s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-HRJQUDZTLASEPW_on_P14867_WT,High,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:15743180,2005.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-HRJQUDZTLASEPW_on_P18507_WT,Low,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864005;CHEMBL864002;CHEMBL864003;CHEMBL864004;CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL919087;CHEMBL919088;CHEMBL919089;CHEMBL830421;CHEMBL4348554;CHEMBL4348555;CHEMBL4348552,PMID:16279764,2005.0,PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789;PMID:15743180;PMID:15743180;PMID:15743180;PMID:16279764;PMID:16279764;PMID:16279764;PMID:15743180;PMID:30928713;PMID:30928713;PMID:30928713,2006;2006;2006;2006;2005;2005;2005;2005;2005;2005;2005;2019;2019;2019,0,0,0,1,0,,=,  9.000;  7.250;  7.660;  8.000;  7.580;  7.890;  7.150;  7.150;  7.580;  7.920;  8.920;  7.920;  8.920;  7.150,7.864,0.636,0.17600000000000002,14.0,7.775,0.375
-HRJQUDZTLASEPW_on_P28472_WT,Low,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4348554;CHEMBL864003;CHEMBL864005;CHEMBL864002;CHEMBL864004;CHEMBL4348555;CHEMBL4348552;CHEMBL919087;CHEMBL829006;CHEMBL830421;CHEMBL919088;CHEMBL829005;CHEMBL919089;CHEMBL830420,PMID:16279764,2005.0,PMID:30928713;PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789;PMID:30928713;PMID:30928713;PMID:16279764;PMID:15743180;PMID:15743180;PMID:16279764;PMID:15743180;PMID:16279764;PMID:15743180,2019;2006;2006;2006;2006;2019;2019;2005;2005;2005;2005;2005;2005;2005,0,0,0,1,0,,=,  7.920;  7.660;  9.000;  7.250;  8.000;  8.920;  7.150;  7.150;  7.150;  8.920;  7.580;  7.580;  7.920;  7.890,7.864,0.636,0.17600000000000002,14.0,7.775,0.375
-HRJQUDZTLASEPW_on_P31644_WT,Low,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421;CHEMBL864005;CHEMBL4348555,PMID:15743180,2005.0,PMID:15743180;PMID:16392789;PMID:30928713,2005;2006;2019,0,0,0,1,0,,=,  8.920;  9.000;  8.920,8.947000000000001,0.038,0.027000000000000003,3.0,8.92,0.0
-HRJQUDZTLASEPW_on_P34903_WT,High,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:15743180,2005.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-HRJQUDZTLASEPW_on_P47869_WT,High,ChEMBL30,CHEMBL178942,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,HRJQUDZTLASEPW,HRJQUDZTLASEPW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,24,26,23,27,16,13,25,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:15743180,2005.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HRKXHGTUKIVFSS_on_Q14416_WT,High,ChEMBL30,CHEMBL3337519,COc1c(C2CCN(c3c(C#N)c(=O)n(CC4CC4)cc3)CC2)cccc1,HRKXHGTUKIVFSS,HRKXHGTUKIVFSS-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-27-21-5-3-2-4-18(21)17-8-11-24(12-9-17)20-10-13-25(15-16-6-7-16)22(26)19(20)14-23/h2-5,10,13,16-17H,6-9,11-12,15H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,18,19,6,23,21,7,22,20,11,16,17,5,4,10,9,3,13,12,8,15,14,2/E:(6,7)(8,9)(11,12)/rA:27COCCCCCNCCCNCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;t11;s10;d13;s13;s15;s16;s17;s17s18;s15;s9d20;s8;s5s22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-HRMHLVHCCJWMPU_on_P41594_WT,Medium,ChEMBL30,CHEMBL248129,Cc1nc(NC(=O)c2nccc(-c3cc(C#N)ccc3)c2)ccc1,HRMHLVHCCJWMPU,HRMHLVHCCJWMPU-UHFFFAOYSA-N,"InChI=1S/C19H14N4O/c1-13-4-2-7-18(22-13)23-19(24)17-11-16(8-9-21-17)15-6-3-5-14(10-15)12-20/h2-11H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,23,19,24,18,20,22,11,10,14,21,16,2,15,13,12,8,4,6,17,9,3,5,7/rA:24CCNCNCOCNCCCCCCCNCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;t16;d15;s18;s13d19;s8d12;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL886825,PMID:17336520,2007.0,PMID:17336520,2007,1,0,0,0,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-HRNSOLSYHZMSCD_on_P14867_WT,Low,ChEMBL30,CHEMBL1269149;CHEMBL1269148;CHEMBL1269061,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.110;  7.770;  7.750,7.877000000000001,0.165,0.11699999999999999,3.0,7.77,0.02
-HRNSOLSYHZMSCD_on_P18507_WT,Low,ChEMBL30,CHEMBL1269149;CHEMBL1269149;CHEMBL1269148;CHEMBL1269061;CHEMBL1269149;CHEMBL1269061;CHEMBL1269148;CHEMBL1269061;CHEMBL1269148;CHEMBL1269148;CHEMBL1269149;CHEMBL1269148;CHEMBL1269061,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273620;CHEMBL1273619;CHEMBL1273616;CHEMBL1273616;CHEMBL1273615;CHEMBL1273615;CHEMBL1273619;CHEMBL1273616;CHEMBL1273617;CHEMBL1273617;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.160;  8.110;  5.520;  6.670;  7.490;  7.220;  7.770;  7.750;  5.840;  7.230;  7.370;  7.060;  6.940,7.087000000000001,0.7040000000000001,0.203,13.0,7.22,0.28
-HRNSOLSYHZMSCD_on_P28472_WT,Low,ChEMBL30,CHEMBL1269149;CHEMBL1269061;CHEMBL1269149;CHEMBL1269148;CHEMBL1269148;CHEMBL1269149;CHEMBL1269148;CHEMBL1269148;CHEMBL1269148;CHEMBL1269061;CHEMBL1269149;CHEMBL1269061;CHEMBL1269061,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL1273616;CHEMBL1273620;CHEMBL1273617;CHEMBL1273617;CHEMBL1273615;CHEMBL1273619;CHEMBL1273615;CHEMBL1273619;CHEMBL1273619;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.110;  6.940;  7.490;  7.230;  5.520;  7.370;  7.060;  7.770;  5.840;  7.750;  7.160;  6.670;  7.220,7.087000000000001,0.7040000000000001,0.203,13.0,7.22,0.28
-HRNSOLSYHZMSCD_on_P31644_WT,Low,ChEMBL30,CHEMBL1269148;CHEMBL1269061;CHEMBL1269149,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.840;  6.670;  7.160,6.557,0.545,0.385,3.0,6.67,0.49
-HRNSOLSYHZMSCD_on_P34903_WT,Low,ChEMBL30,CHEMBL1269148;CHEMBL1269149;CHEMBL1269061,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.060;  7.370;  6.940,7.122999999999999,0.18100000000000002,0.128,3.0,7.06,0.12
-HRNSOLSYHZMSCD_on_P47869_WT,Low,ChEMBL30,CHEMBL1269148;CHEMBL1269061;CHEMBL1269149,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.230;  7.220;  7.490,7.313,0.125,0.08800000000000001,3.0,7.23,0.01
-HRNSOLSYHZMSCD_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269148,CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HRNSOLSYHZMSCD,HRNSOLSYHZMSCD-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,16,17,15,18,20,10,3,14,19,13,8,11,6,9,12,7,5/rA:20CCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-HRPGDYYEKZRVLP_on_P41594_WT,Low,ChEMBL30,CHEMBL3314848,Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)n1,HRPGDYYEKZRVLP,HRPGDYYEKZRVLP-UHFFFAOYSA-N,"InChI=1S/C15H12N6O2/c1-10-3-2-4-12(19-10)15(22)21-13-7-16-8-14(20-13)23-11-5-17-9-18-6-11/h2-9H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,3,5,17,21,11,13,19,2,16,6,10,14,7,12,18,20,23,22,9,8,15/E:(5,6)(17,18)/rA:23CCCCCCCONCCNCCOCCNCNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-HRPPJINZUHXDRN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL428778;44452968,Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cccc(F)c2)n1,HRPPJINZUHXDRN,HRPPJINZUHXDRN-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O2/c1-15-13-25-14-17(21(26)24-7-9-27-10-8-24)12-20(25)19(23-15)6-5-16-3-2-4-18(22)11-16/h2-4,11-14H,7-10H2,1H3","""AuxInfo=1/0/N:1,22,21,23,19,18,10,14,11,13,26,15,3,5,2,20,6,24,17,16,7,25,27,9,4,8,12/E:(7,8)(9,10)/rA:27CCCNCCCONCCOCCCCCCCCCCCCFCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s6;s4d15;s16;s17;t18;s19;d20;s21;d22;s23;s24;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.700;  7.700,7.7,0.0,0.0,2.0,7.7,0.0
-HRTSOMLTEJFUCO_on_O00591_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_O14764_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P14867_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P18505_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P18507_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P28472_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P31644_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P34903_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P47869_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P47870_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P48169_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_P78334_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_Q16445_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.100;  5.920,6.51,0.59,0.59,2.0,6.51,0.59
-HRTSOMLTEJFUCO_on_Q99928_WT,Low,ChEMBL30,CHEMBL1189834,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1,HRTSOMLTEJFUCO,HRTSOMLTEJFUCO-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920;  7.100,6.51,0.59,0.59,2.0,6.51,0.59
-HRUDFUBJGCKXQF_on_P14867_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-HRUDFUBJGCKXQF_on_P18507_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.310;  6.570;  7.720;  6.990,7.147,0.42200000000000004,0.244,4.0,7.15,0.365
-HRUDFUBJGCKXQF_on_P28472_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681405;CHEMBL681641;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.990;  7.310;  6.570;  7.720,7.147,0.42200000000000004,0.244,4.0,7.15,0.365
-HRUDFUBJGCKXQF_on_P31644_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-HRUDFUBJGCKXQF_on_P34903_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-HRUDFUBJGCKXQF_on_P47869_WT,Low,ChEMBL30,CHEMBL432542,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1,HRUDFUBJGCKXQF,HRUDFUBJGCKXQF-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-15-7-17(3)16-12/h7H,5-6H2,1-4H3","""AuxInfo=1/0/N:9,10,17,1,11,7,18,12,5,4,13,14,3,8,19,15,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNNCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s16;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-HRVCUISAJOBFTQ_on_P14867_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-HRVCUISAJOBFTQ_on_P18507_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460;  7.920;  7.680;  9.110,8.043,0.637,0.368,4.0,7.8,0.23
-HRVCUISAJOBFTQ_on_P28472_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.920;  9.110;  7.680;  7.460,8.043,0.637,0.368,4.0,7.8,0.23
-HRVCUISAJOBFTQ_on_P31644_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-HRVCUISAJOBFTQ_on_P34903_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-HRVCUISAJOBFTQ_on_P47869_WT,Low,ChEMBL30,CHEMBL359545,Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1,HRVCUISAJOBFTQ,HRVCUISAJOBFTQ-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,23,25,22,26,4,28,2,24,21,10,3,19,20,9,18,6,27,16,17,7,8,5,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCOCNNCCCCCCCNNCCCCCCCCCNCS/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;s3;d27;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-HRVPYGLZESQRKK_on_O15399_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_O60391_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_Q05586_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_Q12879_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_Q13224_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRVPYGLZESQRKK_on_Q14957_WT,Low,ChEMBL30,CHEMBL22720,Cc1c(C)cc2nc(O)c(O)nc2c1,HRVPYGLZESQRKK,HRVPYGLZESQRKK-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,4,14,5,2,3,13,6,10,8,12,7,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-HRXXCCBTQISFLQ_on_P41594_WT,High,ChEMBL30,CHEMBL201771,COc1ccc(-c2cncc(C#Cc3csc(C)n3)c2)cc1,HRXXCCBTQISFLQ,HRXXCCBTQISFLQ-UHFFFAOYSA-N,"InChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:18,1,12,5,21,13,4,22,20,10,8,15,17,11,6,7,14,3,9,19,2,16/E:(4,5)(7,8)/rA:22COCCCCCCNCCCCCCSCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;s16;s17;s14d17;s7d11;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-HSBXNCYRRGDCLA_on_Q13255_WT,High,ChEMBL30,CHEMBL3785850,Cc1c(C(=O)Nc2cc(Cl)c(N3CCOc4c3cccc4)cc2)occ1,HSBXNCYRRGDCLA,HSBXNCYRRGDCLA-UHFFFAOYSA-N,"InChI=1S/C20H17ClN2O3/c1-13-8-10-26-19(13)20(24)22-14-6-7-16(15(21)12-14)23-9-11-25-18-5-3-2-4-17(18)23/h2-8,10,12H,9,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,20,18,21,23,22,26,13,25,14,8,2,7,9,11,17,16,3,4,10,6,12,5,15,24/rA:26CCCCONCCCClCNCCOCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s12d16;s17;d18;s19;s16d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-HSCOCLLZCMGPKB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408411;56962486,CC1(C)CC(=O)c2c(C1)ncc(C#Cc1ccccc1)c2,HSCOCLLZCMGPKB,HSCOCLLZCMGPKB-UHFFFAOYSA-N,"InChI=1S/C19H17NO/c1-19(2)11-17-16(18(21)12-19)10-15(13-20-17)9-8-14-6-4-3-5-7-14/h3-7,10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,14,13,21,9,4,11,15,12,7,8,5,2,10,6/E:(1,2)(4,5)(6,7)/rA:21CCCCCOCCCNCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s2s8;s8;d10;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s7d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  7.170;  7.165,7.167999999999999,0.003,0.003,2.0,7.167999999999999,0.002
-HSEURPKENJFQMI_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57404255;CHEMBL2011870,COc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,HSEURPKENJFQMI,HSEURPKENJFQMI-UHFFFAOYSA-N,"InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)","""AuxInfo=1/1/N:17,19,1,5,20,4,21,15,16,18,6,3,14,7,12,10,11,8,13,2,9/E:(4,5)(6,7)/rA:21COCCCCCNSCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;d12;s12;s14;s14s15;s16;s7d10;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:22386665,2012.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  6.801;  6.800,6.8,0.0,0.0,2.0,6.8,0.001
-HSEURPKENJFQMI_on_Q13255_WT,High,ChEMBL30,CHEMBL2011871;CHEMBL2011870;CHEMBL2011870,COc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,HSEURPKENJFQMI,HSEURPKENJFQMI-UHFFFAOYSA-N,"InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)","""AuxInfo=1/1/N:17,19,1,5,20,4,21,15,16,18,6,3,14,7,12,10,11,8,13,2,9/E:(4,5)(6,7)/rA:21COCCCCCNSCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;d12;s12;s14;s14s15;s16;s7d10;s18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180;CHEMBL2016180;CHEMBL2344545,PMID:22386665,2012.0,PMID:22386665;PMID:22386665;PMID:23374867,2012;2012;2013,1,0,0,0,0,,=,  6.960;  7.500;  8.050,7.502999999999999,0.445,0.315,3.0,7.5,0.54
-HSEWUGOOPIEKBZ_on_O00591_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_O14764_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P14867_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P18505_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P18507_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P28472_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P31644_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P34903_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P47869_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P47870_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P48169_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_P78334_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSEWUGOOPIEKBZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL310564,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,HSEWUGOOPIEKBZ,HSEWUGOOPIEKBZ-UHFFFAOYSA-N,"InChI=1S/C22H25N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10,12,23H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HSHWJQGGJKYMDI_on_O00222_WT,High,ChEMBL30,CHEMBL4075070;CHEMBL4085327;CHEMBL4075070;CHEMBL4063720,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],HSHWJQGGJKYMDI,HSHWJQGGJKYMDI-UHFFFAOYSA-N,"InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,5,4,13,12,19,6,14,20,3,16,7,15,21,17,18,8,22,23,10,11,2,9/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:23COCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037499;CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.420;  5.660;  5.570;  5.600,5.562,0.08800000000000001,0.051,4.0,5.585,0.045
-HSHWJQGGJKYMDI_on_O15303_WT,High,ChEMBL30,CHEMBL4085327;CHEMBL4063720,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],HSHWJQGGJKYMDI,HSHWJQGGJKYMDI-UHFFFAOYSA-N,"InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,5,4,13,12,19,6,14,20,3,16,7,15,21,17,18,8,22,23,10,11,2,9/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:23COCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.410;  5.350,5.38,0.03,0.03,2.0,5.38,0.03
-HSHWJQGGJKYMDI_on_Q14833_WT,High,ChEMBL30,CHEMBL4075070;CHEMBL4063720;CHEMBL4085327;CHEMBL4075070,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-],HSHWJQGGJKYMDI,HSHWJQGGJKYMDI-UHFFFAOYSA-N,"InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:1,5,4,13,12,19,6,14,20,3,16,7,15,21,17,18,8,22,23,10,11,2,9/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:23COCCCCCOPOOCCCNCOOCCN+OO-/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037498;CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.460;  5.700;  5.770;  5.800,5.683,0.133,0.077,4.0,5.735,0.05
-HSIUAICHEMABOE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3977681,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1,HSIUAICHEMABOE,HSIUAICHEMABOE-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c1-13-10-16(4-5-18(13)22)21-24-20(17-11-14(2)23-15(3)12-17)19-6-8-26-9-7-25(19)21/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:20,1,25,15,16,7,11,8,10,21,3,23,19,2,24,14,4,17,6,5,13,18,26,22,12,9/E:(2,3)(11,12)(14,15)/rA:26CCCCCCCCOCCNCCCCCClCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s14d19;s5d13;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-HSKAYWQXMCMXAQ_on_P14867_WT,Low,ChEMBL30,CHEMBL442789,Oc1nsc(C2CCNCC2)c1Cc1c(Br)c2c(cccc2)cc1,HSKAYWQXMCMXAQ,HSKAYWQXMCMXAQ-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2OS/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,13,18,6,14,17,12,15,5,2,16,9,3,1,4/E:(7,8)(9,10)/rA:24OCNSCCCCNCCCCCCBrCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;s15;d17;s18;d19;s20;s17d21;s18;s14d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.520;  8.530,8.525,0.005,0.005,2.0,8.525,0.005
-HSKAYWQXMCMXAQ_on_P18507_WT,Low,ChEMBL30,CHEMBL442789,Oc1nsc(C2CCNCC2)c1Cc1c(Br)c2c(cccc2)cc1,HSKAYWQXMCMXAQ,HSKAYWQXMCMXAQ-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2OS/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,13,18,6,14,17,12,15,5,2,16,9,3,1,4/E:(7,8)(9,10)/rA:24OCNSCCCCNCCCCCCBrCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;s15;d17;s18;d19;s20;s17d21;s18;s14d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.520;  8.530,8.525,0.005,0.005,2.0,8.525,0.005
-HSKAYWQXMCMXAQ_on_P28472_WT,Low,ChEMBL30,CHEMBL442789,Oc1nsc(C2CCNCC2)c1Cc1c(Br)c2c(cccc2)cc1,HSKAYWQXMCMXAQ,HSKAYWQXMCMXAQ-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2OS/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,13,18,6,14,17,12,15,5,2,16,9,3,1,4/E:(7,8)(9,10)/rA:24OCNSCCCCNCCCCCCBrCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;s15;d17;s18;d19;s20;s17d21;s18;s14d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.520;  8.530,8.525,0.005,0.005,2.0,8.525,0.005
-HSLAPYCDJGEODS_on_P41594_WT,High,ChEMBL30,CHEMBL2164553,Clc1cc(-c2nc(-c3ncccc3)no2)cc(Cl)c1,HSLAPYCDJGEODS,HSLAPYCDJGEODS-UHFFFAOYSA-N,InChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H,"""AuxInfo=1/0/N:12,11,13,10,3,16,19,4,2,17,8,7,5,1,18,9,6,14,15/E:(5,6)(9,10)(14,15)/rA:19ClCCCCNCCNCCCCNOCCClC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;d4;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-HSLXFPKHHKDGQH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2153784;71453151,Cc1nc(C(=O)Nc2nn(C)cc2)c2[nH]ccc2c1,HSLXFPKHHKDGQH,HSLXFPKHHKDGQH-UHFFFAOYSA-N,"InChI=1S/C13H13N5O/c1-8-7-9-3-5-14-11(9)12(15-8)13(19)16-10-4-6-18(2)17-10/h3-7,14H,1-2H3,(H,16,17,19)","""AuxInfo=1/1/N:1,11,17,13,16,12,19,2,18,8,14,4,5,15,3,7,9,10,6/rA:19CCNCCONCNNCCCCNCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;s10;s8d12;d4;s14;s15;d16;s14s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622;PubChemAID:690762,PMID:22963764,2012.0,PMID:22963764;PubChemAID:690762,2012;2013,1;0,0,0,0,0;1,,=,  6.170;  6.174,6.172000000000001,0.002,0.002,2.0,6.172000000000001,0.002
-HSMLCIRBBPNDOJ_on_P18507_WT,Low,ChEMBL30,CHEMBL577727,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(cccc3)-n2cn1,HSMLCIRBBPNDOJ,HSMLCIRBBPNDOJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c1-3-24-18(23)17-15-8-12-9-19-11(2)21-16(12)13-6-4-5-7-14(13)22(15)10-20-17/h4-7,9-10H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,13,2,20,19,21,18,8,15,23,12,9,16,17,7,10,6,4,14,24,11,22,5,3/rA:24CCOCOCCCCCNCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s16d20;s7s17;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-HSMLCIRBBPNDOJ_on_P28472_WT,Low,ChEMBL30,CHEMBL577727,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(cccc3)-n2cn1,HSMLCIRBBPNDOJ,HSMLCIRBBPNDOJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c1-3-24-18(23)17-15-8-12-9-19-11(2)21-16(12)13-6-4-5-7-14(13)22(15)10-20-17/h4-7,9-10H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,13,2,20,19,21,18,8,15,23,12,9,16,17,7,10,6,4,14,24,11,22,5,3/rA:24CCOCOCCCCCNCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s16d20;s7s17;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-HSMLCIRBBPNDOJ_on_P31644_WT,Low,ChEMBL30,CHEMBL577727,CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(cccc3)-n2cn1,HSMLCIRBBPNDOJ,HSMLCIRBBPNDOJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c1-3-24-18(23)17-15-8-12-9-19-11(2)21-16(12)13-6-4-5-7-14(13)22(15)10-20-17/h4-7,9-10H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,13,2,20,19,21,18,8,15,23,12,9,16,17,7,10,6,4,14,24,11,22,5,3/rA:24CCOCOCCCCCNCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s10;d16;s17;d18;s19;s16d20;s7s17;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-HSOZRTIZAHWLIB_on_P41594_WT,High,ChEMBL30,CHEMBL270400,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(F)ccc2)n1,HSOZRTIZAHWLIB,HSOZRTIZAHWLIB-UHFFFAOYSA-N,"InChI=1S/C17H10F4N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-14(18)7-12/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,21,22,20,15,14,17,11,3,5,2,16,6,18,13,12,7,19,8,9,10,23,4/E:(19,20,21)/rA:23CCCNCCCFFFCCCCCCCCFCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;d18;s20;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-HSQDWKSXSIUOJC_on_P41594_WT,High,ChEMBL30,CHEMBL486244,C(#Cc1cncnc1)c1ccccc1,HSQDWKSXSIUOJC,HSQDWKSXSIUOJC-UHFFFAOYSA-N,"InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H","""AuxInfo=1/0/N:12,11,13,10,14,1,2,4,8,6,9,3,5,7/E:(2,3)(4,5)(8,9)(13,14)/rA:14CCCCNCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2065269,PMID:22148748,2012.0,PMID:22148748,2012,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-HSQRAZURBLFSEE_on_P31644_WT,High,ChEMBL30,CHEMBL3681540,Cc1c(COc2ccc(C(=O)NC3(C#N)CC3)cn2)c(-c2ccccc2)no1,HSQRAZURBLFSEE,HSQRAZURBLFSEE-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-14-17(19(25-28-14)15-5-3-2-4-6-15)12-27-18-8-7-16(11-23-18)20(26)24-21(13-22)9-10-21/h2-8,11H,9-10,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,16,17,18,4,14,2,21,9,3,6,20,10,13,15,19,12,27,11,5,28/E:(3,4)(5,6)(9,10)/rA:28CCCCOCCCCCONCCNCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;t14;s13;s13s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-HSTLENQBTWBUHT_on_Q14416_WT,High,ChEMBL30,CHEMBL2029795,CC(C)CCn1ccc(-c2cc(Cl)c(OC3CCCC3)cc2)c(C#N)c1=O,HSTLENQBTWBUHT,HSTLENQBTWBUHT-UHFFFAOYSA-N,"InChI=1S/C22H25ClN2O2/c1-15(2)9-11-25-12-10-18(19(14-24)22(25)26)16-7-8-21(20(23)13-16)27-17-5-3-4-6-17/h7-8,10,12-13,15,17H,3-6,9,11H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,20,22,21,4,8,5,7,11,24,2,10,16,9,23,12,14,26,13,25,6,27,15/E:(1,2)(3,4)(5,6)/rA:27CCCCCNCCCCCCClCOCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s17;s18;s16s19;s14;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-HSUCRXNJMPDNOG_on_O00591_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_O14764_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P14867_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P18505_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P18507_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P28472_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P31644_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P34903_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P47869_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P47870_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P48169_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_P78334_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_Q16445_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSUCRXNJMPDNOG_on_Q99928_WT,Low,ChEMBL30,CHEMBL184495,COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1,HSUCRXNJMPDNOG,HSUCRXNJMPDNOG-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-4-9(6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,27,5,6,4,28,15,21,7,16,3,13,22,8,12,9,25,17,14,23,18,19,20,10,24,11,2,26/E:(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCCNNCCClCCCFFFCCClNCSCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;s11;s8d24;s25;s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HSWJYPLUOQXFKM_on_Q13255_WT,High,ChEMBL30,CHEMBL3634424,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2,HSWJYPLUOQXFKM,HSWJYPLUOQXFKM-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:10,1,27,28,26,14,15,11,12,3,9,2,4,20,24,16,21,8,6,18,22,25,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCClCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.310;  7.310,7.31,0.0,0.0,2.0,7.31,0.0
-HSWJYPLUOQXFKM_on_Q14833_WT,High,ChEMBL30,CHEMBL3634424,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2,HSWJYPLUOQXFKM,HSWJYPLUOQXFKM-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:10,1,27,28,26,14,15,11,12,3,9,2,4,20,24,16,21,8,6,18,22,25,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCClCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HSWSEIGHZHNNHT_on_O00591_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_O14764_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P14867_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P18505_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P18507_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P28472_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P31644_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P34903_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P47869_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P47870_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P48169_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_P78334_WT,Low,ChEMBL30,CHEMBL3427529;CHEMBL3427520,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.890;  5.540,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HSWSEIGHZHNNHT_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427520;CHEMBL3427529,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1,HSWSEIGHZHNNHT,HSWSEIGHZHNNHT-UHFFFAOYSA-N,"InChI=1S/C25H41NO2/c1-24(28)11-9-18-17(15-24)5-6-20-19(18)10-12-25(2)21(20)7-8-22(25)23(27)16-26-13-3-4-14-26/h17-22,28H,3-16H2,1-2H3","""AuxInfo=1/0/N:1,15,22,23,8,9,26,25,5,12,4,13,21,24,28,19,7,6,11,10,27,16,17,2,14,20,18,3/E:(3,4)(13,14)/rA:28CCOCCCCCCCCCCCCCCOCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;s21;s22;s20s23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  5.540;  5.890,5.715,0.175,0.175,2.0,5.715,0.175
-HTAYZRRTDBVFOA_on_P41594_WT,Low,ChEMBL30,CHEMBL594080,CN(c1ccc(Cl)cc1)c1ccc(C(=O)N2CCCCC2)cn1,HTAYZRRTDBVFOA,HTAYZRRTDBVFOA-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c1-21(16-8-6-15(19)7-9-16)17-10-5-14(13-20-17)18(23)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3","""AuxInfo=1/0/N:1,19,18,20,12,5,8,4,9,11,17,21,22,13,6,3,10,14,7,23,2,16,15/E:(3,4)(6,7)(8,9)(11,12)/rA:23CNCCCCClCCCCCCCONCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s2;d10;s11;d12;s13;d14;s14;s16;s17;s18;s19;s16s20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HTBTWHVWGPKYLC_on_Q14833_WT,High,ChEMBL30,CHEMBL4245437,CCn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,HTBTWHVWGPKYLC,HTBTWHVWGPKYLC-UHFFFAOYSA-N,"InChI=1S/C18H18N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-17-14(21-22-18)4-3-9-19-17/h3-4,7-11H,2,5-6H2,1H3,(H2,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,7,8,23,24,17,11,6,12,9,20,10,5,15,14,16,13,21,22,4,3/E:(5,6)/rA:24CCNNCCCCCCCCNCCNCCCCNNCC/rB:s1;s2;s3;d4;s5;s6;s6s7;s5;s3d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.440;  5.920,6.68,0.76,0.76,2.0,6.68,0.76
-HTCOBNYITGJGFH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112580,Cn1cc(CCC(N)(C(=O)O)C2CC2C(=O)O)c2c1cccc2,HTCOBNYITGJGFH,HTCOBNYITGJGFH-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4/c1-19-9-10(11-4-2-3-5-14(11)19)6-7-17(18,16(22)23)13-8-12(13)15(20)21/h2-5,9,12-13H,6-8,18H2,1H3,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,22,21,23,20,5,6,13,3,4,18,14,12,19,15,9,7,8,2,16,17,10,11/E:(20,21)(22,23)/rA:23CNCCCCCNCOOCCCCOOCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s7;d9;s9;s7;s12;s12s13;s14;d15;s15;s4;s2d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-HTCOBNYITGJGFH_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112580,Cn1cc(CCC(N)(C(=O)O)C2CC2C(=O)O)c2c1cccc2,HTCOBNYITGJGFH,HTCOBNYITGJGFH-UHFFFAOYSA-N,"InChI=1S/C17H20N2O4/c1-19-9-10(11-4-2-3-5-14(11)19)6-7-17(18,16(22)23)13-8-12(13)15(20)21/h2-5,9,12-13H,6-8,18H2,1H3,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,22,21,23,20,5,6,13,3,4,18,14,12,19,15,9,7,8,2,16,17,10,11/E:(20,21)(22,23)/rA:23CNCCCCCNCOOCCCCOOCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s7;d9;s9;s7;s12;s12s13;s14;d15;s15;s4;s2d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-HTERIYKSTDJXFS_on_P31644_WT,High,ChEMBL30,CHEMBL3681525,Cc1c(COc2ccc(C(=O)N3CCCC3C)cn2)c(-c2ccccc2)no1,HTERIYKSTDJXFS,HTERIYKSTDJXFS-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-15-7-6-12-25(15)22(26)18-10-11-20(23-13-18)27-14-19-16(2)28-24-21(19)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3","""AuxInfo=1/0/N:17,1,24,23,25,14,15,22,26,8,7,13,18,4,16,2,21,9,3,6,20,10,19,27,12,11,5,28/E:(4,5)(8,9)/rA:28CCCCOCCCCCONCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s12s15;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-HTIDOSLMZDLYIV_on_P41594_WT,High,ChEMBL30,CHEMBL3601898,CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,HTIDOSLMZDLYIV,HTIDOSLMZDLYIV-UHFFFAOYSA-N,"InChI=1S/C18H18ClN5OS/c1-3-15(24-17(25)18-20-6-7-26-18)12-8-14(19)16(22-9-12)23-13-5-4-11(2)21-10-13/h4-10,15H,3H2,1-2H3,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:1,22,2,20,19,9,10,13,26,24,21,12,18,14,3,16,5,7,15,8,23,25,17,4,6,11/rA:26CCCNCOCNCCSCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s3;d12;s13;s14;d14;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-HTINJLILPKQVAL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL483754,O=C1OCCCN1Cc1ccc(OCC2CCCCC2)cc1,HTINJLILPKQVAL,HTINJLILPKQVAL-UHFFFAOYSA-N,"InChI=1S/C18H25NO3/c20-18-19(11-4-12-21-18)13-15-7-9-17(10-8-15)22-14-16-5-2-1-3-6-16/h7-10,16H,1-6,11-14H2","""AuxInfo=1/0/N:18,17,19,5,16,20,10,22,11,21,6,4,8,14,9,15,12,2,7,1,3,13/E:(2,3)(5,6)(7,8)(9,10)/rA:22OCOCCCNCCCCCOCCCCCCCCC/rB:d1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;s15s19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-HTKSUMYTLRNOEI_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL181921;44392629,CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2c(F)c(F)ccc2)cc1,HTKSUMYTLRNOEI,HTKSUMYTLRNOEI-UHFFFAOYSA-N,"InChI=1S/C21H23BrF2O4/c1-13(2)12-16(25)14-8-9-17(19(22)21(14)26)27-10-3-4-11-28-18-7-5-6-15(23)20(18)24/h5-9,13,26H,3-4,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,25,24,26,28,27,14,17,4,2,7,22,5,12,19,10,20,8,11,23,21,6,9,13,18/E:(1,2)/rA:28CCCCCOCCOCBrCOCCCCOCCFCFCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s8;s10;d10;s12;s13;s14;s15;s16;s17;s18;d19;s20;s20;s22;d22;s24;s19d25;s12;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  6.250;  6.253,6.252000000000001,0.002,0.002,2.0,6.252000000000001,0.002
-HTNYBQDFFUZWCY_on_P14867_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-HTNYBQDFFUZWCY_on_P18507_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.420;  8.300;  7.890,8.203,0.22699999999999998,0.16,3.0,8.3,0.12
-HTNYBQDFFUZWCY_on_P28472_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.890;  8.300;  8.420,8.203,0.22699999999999998,0.16,3.0,8.3,0.12
-HTNYBQDFFUZWCY_on_P31644_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-HTNYBQDFFUZWCY_on_P34903_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-HTNYBQDFFUZWCY_on_P47869_WT,Low,ChEMBL30,CHEMBL264235,COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,HTNYBQDFFUZWCY,HTNYBQDFFUZWCY-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,13,14,5,27,4,28,12,26,10,24,22,6,9,3,7,19,8,20,17,11,21,15,18,2,25/E:(6,7)(8,9)/rA:28COCCCCCCCCNCCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-HTQHNFJCGRDIKX_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182316;11559813,Cc1c(OCCCCOc2c(F)cccc2)ccc(C(=O)CC(C)C)c1O,HTQHNFJCGRDIKX,HTQHNFJCGRDIKX-UHFFFAOYSA-N,"InChI=1S/C22H27FO4/c1-15(2)14-19(24)17-10-11-20(16(3)22(17)25)26-12-6-7-13-27-21-9-5-4-8-18(21)23/h4-5,8-11,15,25H,6-7,12-14H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,15,6,7,13,16,18,17,5,8,22,23,2,19,11,20,3,10,26,12,21,27,4,9/E:(1,2)/rA:27CCCOCCCCOCCFCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s3;d17;s18;s19;d20;s20;s22;s23;s23;s2d19;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  5.700;  5.702,5.7010000000000005,0.001,0.001,2.0,5.7010000000000005,0.001
-HTSNYNVVZXZTJD_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594118,C=C1CC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1.c1ccncc1,HTSNYNVVZXZTJD,HTSNYNVVZXZTJD-UHFFFAOYSA-N,"""InChI=1S/C20H32O4S.C5H5N/c1-13-10-18-16-5-4-14-11-15(24-25(21,22)23)6-9-20(14,3)17(16)7-8-19(18,2)12-13;1-2-4-6-5-3-1/h14-18H,1,4-12H2,2-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,24,19,7,6,16,21,22,17,3,9,25,2,8,10,5,20,4,23,18,13,14,15,11,12;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCOSOOOCCCCCCCCCCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;d12;s12;s10;s16;s8s17;s18;s5s18;s20;s21;s4s22;s23;s2s23;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-HTSNYNVVZXZTJD_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594118,C=C1CC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1.c1ccncc1,HTSNYNVVZXZTJD,HTSNYNVVZXZTJD-UHFFFAOYSA-N,"""InChI=1S/C20H32O4S.C5H5N/c1-13-10-18-16-5-4-14-11-15(24-25(21,22)23)6-9-20(14,3)17(16)7-8-19(18,2)12-13;1-2-4-6-5-3-1/h14-18H,1,4-12H2,2-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,24,19,7,6,16,21,22,17,3,9,25,2,8,10,5,20,4,23,18,13,14,15,11,12;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCOSOOOCCCCCCCCCCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;d12;s12;s10;s16;s8s17;s18;s5s18;s20;s21;s4s22;s23;s2s23;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-HTSXWSRQVOMZIM_on_O15303_WT,Low,ChEMBL30,CHEMBL3806176,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2,HTSXWSRQVOMZIM,HTSXWSRQVOMZIM-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s15s19d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-HTSXWSRQVOMZIM_on_P41594_WT,Low,ChEMBL30,CHEMBL3806176,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2,HTSXWSRQVOMZIM,HTSXWSRQVOMZIM-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s15s19d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-HTSXWSRQVOMZIM_on_Q14416_WT,High,ChEMBL30,CHEMBL3806176,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2,HTSXWSRQVOMZIM,HTSXWSRQVOMZIM-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s15s19d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-HTSXWSRQVOMZIM_on_Q14832_WT,Low,ChEMBL30,CHEMBL3806176,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2,HTSXWSRQVOMZIM,HTSXWSRQVOMZIM-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s15s19d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-HTSXWSRQVOMZIM_on_Q14833_WT,Low,ChEMBL30,CHEMBL3806176,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2,HTSXWSRQVOMZIM,HTSXWSRQVOMZIM-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h5-6,8,10-12H,7,9,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s15s19d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-HTTCOCDHRFMKBF_on_P41594_WT,High,ChEMBL30,CHEMBL3672911,Cn1cnc2c1CCN(C(=O)c1nn3cc(Br)cnc3c1)CC2,HTTCOCDHRFMKBF,HTTCOCDHRFMKBF-UHFFFAOYSA-N,"InChI=1S/C15H15BrN6O/c1-20-9-18-11-2-4-21(5-3-13(11)20)15(23)12-6-14-17-7-10(16)8-22(14)19-12/h6-9H,2-5H2,1H3","""AuxInfo=1/0/N:1,23,7,22,8,21,18,15,3,16,5,12,6,20,10,17,19,4,13,2,9,14,11/rA:23CNCNCCCCNCOCNNCCBrCNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;s16;d18;s14s19;s12d20;s9;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-HTTIWQRQTJDTMJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3632642,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2,HTTIWQRQTJDTMJ,HTTIWQRQTJDTMJ-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:11,1,28,29,27,15,16,12,13,4,10,5,21,25,17,3,22,9,7,19,23,26,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCClCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.740;  7.750,7.745,0.005,0.005,2.0,7.745,0.005
-HTTIWQRQTJDTMJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3632642,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2,HTTIWQRQTJDTMJ,HTTIWQRQTJDTMJ-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:11,1,28,29,27,15,16,12,13,4,10,5,21,25,17,3,22,9,7,19,23,26,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCClCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-HTVPXZZWROAGAU_on_Q14416_WT,High,ChEMBL30,CHEMBL594673,Clc1cnc(N2CCN(Cc3nc4c(cccc4)[nH]3)CC2)nc1,HTVPXZZWROAGAU,HTVPXZZWROAGAU-UHFFFAOYSA-N,"InChI=1S/C16H17ClN6/c17-12-9-18-16(19-10-12)23-7-5-22(6-8-23)11-15-20-13-3-1-2-4-14(13)21-15/h1-4,9-10H,5-8,11H2,(H,20,21)","""AuxInfo=1/1/N:16,17,15,18,8,20,7,21,3,23,10,2,14,13,11,5,1,4,22,19,12,9,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(18,19)(20,21)/rA:23ClCCNCNCCNCCNCCCCCCNCCNC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-HTXVZFMUVDOMLN_on_P14867_WT,High,ExCAPE-DB,25093404,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)ncn-21,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,38,12,29,2,37,4,35,5,34,8,39,13,27,44,41,19,21,3,36,7,32,6,33,14,26,15,25,9,30,16,23,43,42,11,28,45,40,10,31,17,24,20,18,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCCONCCCCCOOCOCOCOCCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s20;s21;s22;d23;s23;d25;s26;s27;s28;s28;d30;s30;d32;s33;d34;s35;s36;t37;s32d36;s26s33;s40;s25d41;s15;d43;s6s14s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,PubChemAID:349341,PMID:18790643,2008.0,PubChemAID:349341,2010,0,0,0,0,1,,=,  5.421,5.421,0.0,0.0,1.0,5.421,0.0
-HTXVZFMUVDOMLN_on_P18507_WT,Low,ChEMBL30,CHEMBL505497,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,8,32,7,31,4,36,41,24,10,38,16,18,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,17,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCNCNCCOOCOCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999413;CHEMBL999409;CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.120;  5.420;  5.570,6.037000000000001,0.768,0.5429999999999999,3.0,5.57,0.15
-HTXVZFMUVDOMLN_on_P28472_WT,Low,ChEMBL30,CHEMBL505497,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,8,32,7,31,4,36,41,24,10,38,16,18,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,17,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCNCNCCOOCOCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999413;CHEMBL999410;CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.120;  5.570;  5.420,6.037000000000001,0.768,0.5429999999999999,3.0,5.57,0.15
-HTXVZFMUVDOMLN_on_P31644_WT,Low,ChEMBL30,CHEMBL505497,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,8,32,7,31,4,36,41,24,10,38,16,18,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,17,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCNCNCCOOCOCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL999413,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-HTXVZFMUVDOMLN_on_P34903_WT,High,ChEMBL30,CHEMBL505497,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,8,32,7,31,4,36,41,24,10,38,16,18,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,17,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCNCNCCOOCOCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-HTXVZFMUVDOMLN_on_P47869_WT,Low,ChEMBL30,CHEMBL505497,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,HTXVZFMUVDOMLN,HTXVZFMUVDOMLN-UHFFFAOYSA-N,"InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,8,32,7,31,4,36,41,24,10,38,16,18,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,17,15,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(44,45)/rA:45CCCCCCCCNCNCCOOCOCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-HUACKZIZFZPSFP_on_Q05586_WT,Low,ChEMBL30,CHEMBL611652,CS(=O)(=O)Nc1ccc(OCCNCC(=O)Nc2cc(Cl)c(Cl)cc2)cc1,HUACKZIZFZPSFP,HUACKZIZFZPSFP-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-9-8-20-11-17(23)21-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,7,27,25,8,26,24,12,11,19,14,6,18,9,22,20,15,23,21,13,17,5,16,3,4,10,2/E:(2,3)(5,6)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCNCCONCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-HUACKZIZFZPSFP_on_Q13224_WT,Low,ChEMBL30,CHEMBL611652,CS(=O)(=O)Nc1ccc(OCCNCC(=O)Nc2cc(Cl)c(Cl)cc2)cc1,HUACKZIZFZPSFP,HUACKZIZFZPSFP-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-9-8-20-11-17(23)21-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,7,27,25,8,26,24,12,11,19,14,6,18,9,22,20,15,23,21,13,17,5,16,3,4,10,2/E:(2,3)(5,6)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCNCCONCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-HUGBWOVWIGKBLH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087509;72546272,COC(=O)N1C2CCC1CC(C#Cc1cccc(C)c1)(OC)C2,HUGBWOVWIGKBLH,HUGBWOVWIGKBLH-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-5-4-6-15(11-14)9-10-19(23-3)12-16-7-8-17(13-19)20(16)18(21)22-2/h4-6,11,16-17H,7-8,12-13H2,1-3H3","""AuxInfo=1/0/N:19,1,22,16,17,15,7,8,13,12,20,23,10,18,14,6,9,3,11,5,4,2,21/E:(7,8)(12,13)(16,17)/rA:23COCONCCCCCCCCCCCCCCCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s21;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  6.860;  6.863,6.862,0.002,0.002,2.0,6.862,0.002
-HUKLBCKGOFIXBM_on_Q14416_WT,High,ChEMBL30,CHEMBL3883827,Clc1c(OCCc2ccccc2)ccn2c(CC3CC3)nnc12,HUKLBCKGOFIXBM,HUKLBCKGOFIXBM-UHFFFAOYSA-N,"InChI=1S/C18H18ClN3O/c19-17-15(23-11-9-13-4-2-1-3-5-13)8-10-22-16(12-14-6-7-14)20-21-18(17)22/h1-5,8,10,14H,6-7,9,11-12H2","""AuxInfo=1/0/N:10,9,11,8,12,19,20,13,6,14,5,17,7,18,3,16,2,23,1,21,22,15,4/E:(2,3)(4,5)(6,7)/rA:23ClCCOCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s3;d13;s14;s15;s16;s17;s18;s18s19;d16;s21;s2s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-HUMXLHHYMMLIPJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634443,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c3ccccc23)occ1,HUMXLHHYMMLIPJ,HUMXLHHYMMLIPJ-UHFFFAOYSA-N,"InChI=1S/C24H15ClN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,21,27,24,22,20,8,9,31,30,2,28,23,14,18,7,10,15,3,4,12,16,19,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCClCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.650;  7.640,7.645,0.005,0.005,2.0,7.645,0.005
-HUMXLHHYMMLIPJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634443,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c3ccccc23)occ1,HUMXLHHYMMLIPJ,HUMXLHHYMMLIPJ-UHFFFAOYSA-N,"InChI=1S/C24H15ClN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,21,27,24,22,20,8,9,31,30,2,28,23,14,18,7,10,15,3,4,12,16,19,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCClCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-HUNXMJYCHXQEGX_on_P14867_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2327959,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-HUNXMJYCHXQEGX_on_P18507_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2327959;CHEMBL2327958,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,=,  6.540;  5.790,6.165,0.375,0.375,2.0,6.165,0.375
-HUNXMJYCHXQEGX_on_P28472_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2327958,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-HUNXMJYCHXQEGX_on_P31644_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2327961,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HUNXMJYCHXQEGX_on_P34903_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2327957,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HUNXMJYCHXQEGX_on_P47869_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2327958,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-HUNXMJYCHXQEGX_on_P47870_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2327959,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-HUNXMJYCHXQEGX_on_Q99928_WT,Low,ChEMBL30,CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,HUNXMJYCHXQEGX,HUNXMJYCHXQEGX-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,10,8,13,14,23,18,20,4,11,17,7,12,16,19,15,21,3,22,6/rA:23CCNCCOCCCCCCCCNCCCNCNNC/rB:s1;s2;s3;s4;d4;s3;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s17;t18;s17;d20;s12s16s21;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL2327961,PMID:23121096,2013.0,PMID:23121096,2013,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HUOVVNDFQLHQOR_on_P28472_WT,High,ChEMBL30,CHEMBL329306,FC(F)(F)c1cc(Cl)c(-n2cc(C3(C(F)(F)F)N=N3)cn2)c(Cl)c1,HUOVVNDFQLHQOR,HUOVVNDFQLHQOR-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H","""AuxInfo=1/0/N:6,24,20,11,5,12,7,22,9,13,2,14,8,23,1,3,4,15,16,17,21,18,19,10/E:(1,2)(7,8)(13,14)(15,16,17)(18,19,20)(22,23)/rA:24FCFFCCCClCNCCCCFFFNNCNCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s13;s14;s14;s14;s13;s13w?18;s12;s10d20;s9;s22;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680333,PMID:11677140,2001.0,PMID:11677140,2001,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-HUUOWHZKSSSYEA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44416124;CHEMBL1161889,CCC(O)(CO)c1cc(F)cc(OCC#Cc2ccccn2)c1,HUUOWHZKSSSYEA,HUUOWHZKSSSYEA-UHFFFAOYSA-N,"InChI=1S/C18H18FNO3/c1-2-18(22,13-21)14-10-15(19)12-17(11-14)23-9-5-7-16-6-3-4-8-20-16/h3-4,6,8,10-12,21-22H,2,9,13H2,1H3","""AuxInfo=1/0/N:1,2,19,20,15,18,16,21,14,8,23,11,5,7,9,17,12,3,10,22,6,4,13/rA:23CCCOCOCCCFCCOCCCCCCCCNC/rB:s1;s2;s3;s3;s5;s3;d7;s8;s9;d9;s11;s12;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s7d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270777;CHEMBL864285,PMID:16839764,2006.0,PubChemAID:270777;PMID:16839764,2010;2006,0;1,0,0,0,1;0,,=,  6.523;  6.520,6.521,0.002,0.002,2.0,6.521,0.002
-HUUOWHZKSSSYEA_on_Q13255_WT,Low,ChEMBL30,CHEMBL1161889,CCC(O)(CO)c1cc(OCC#Cc2ccccn2)cc(F)c1,HUUOWHZKSSSYEA,HUUOWHZKSSSYEA-UHFFFAOYSA-N,"InChI=1S/C18H18FNO3/c1-2-18(22,13-21)14-10-15(19)12-17(11-14)23-9-5-7-16-6-3-4-8-20-16/h3-4,6,8,10-12,21-22H,2,9,13H2,1H3","""AuxInfo=1/0/N:1,2,16,17,12,15,13,18,11,23,8,20,5,7,21,14,9,3,22,19,6,4,10/rA:23CCCOCOCCCOCCCCCCCCNCCFC/rB:s1;s2;s3;s3;s5;s3;d7;s8;s9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;d9;s20;s21;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL864286,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HUZLYNOOKRQRMU_on_P41594_WT,Low,ChEMBL30,CHEMBL404278,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(C#N)cc3)c2c1,HUZLYNOOKRQRMU,HUZLYNOOKRQRMU-UHFFFAOYSA-N,"InChI=1S/C20H15N3O2/c1-3-25-20(24)17-10-19-18(22-14(2)12-23(19)13-17)9-8-15-4-6-16(11-21)7-5-15/h4-7,10,12-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,17,23,18,22,15,14,25,20,9,7,10,16,19,6,13,24,4,21,12,8,5,3/E:(4,5)(6,7)/rA:25CCOCOCCNCCCNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;t20;s19;s16d22;s8s13;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-HVEOIUYHTANEND_on_O15399_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_O60391_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_Q05586_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_Q12879_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_Q13224_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVEOIUYHTANEND_on_Q14957_WT,Low,ChEMBL30,CHEMBL42466,COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,HVEOIUYHTANEND,HVEOIUYHTANEND-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-HVFOHTPPCKCGBP_on_P41594_WT,High,ChEMBL30,CHEMBL1290669,O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,HVFOHTPPCKCGBP,HVFOHTPPCKCGBP-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2","""AuxInfo=1/0/N:9,8,10,7,11,18,17,14,24,13,25,21,5,3,6,19,22,16,2,20,23,15,12,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCOCCCCCCCNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HVJGMCGDOFRWHL_on_P14867_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-HVJGMCGDOFRWHL_on_P18507_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681249;CHEMBL682252;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.330;  6.570;  6.200,6.367000000000001,0.153,0.10800000000000001,3.0,6.33,0.13
-HVJGMCGDOFRWHL_on_P28472_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL682252;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.200;  6.570;  6.330,6.367000000000001,0.153,0.10800000000000001,3.0,6.33,0.13
-HVJGMCGDOFRWHL_on_P31644_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-HVJGMCGDOFRWHL_on_P34903_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-HVJGMCGDOFRWHL_on_P47869_WT,Low,ChEMBL30,CHEMBL298732,COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,HVJGMCGDOFRWHL,HVJGMCGDOFRWHL-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3","""AuxInfo=1/0/N:20,21,25,1,11,10,12,9,13,16,23,17,22,6,8,15,18,7,5,14,26,3,19,24,27,4,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:27COCOCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s19;s19;s18;s15d22;s14;s24;s5s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-HVJVHGGBIPNSHY_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647569,CCn1cnc2c1nncc2-c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1,HVJVHGGBIPNSHY,HVJVHGGBIPNSHY-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2S/c1-3-24-13-21-19-18(12-22-23-20(19)24)16-6-4-5-15(11-16)14-7-9-17(10-8-14)27(2,25)26/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,22,2,14,15,13,18,26,19,25,27,10,4,17,16,12,20,11,6,7,5,9,8,3,23,24,21/E:(7,8)(9,10)(25,26)/CRV:27.6/rA:27CCNCNCCNNCCCCCCCCCCCSCOOCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d21;d21;s20;s17d25;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-HVNDCFLLFFZJIK_on_P41594_WT,Low,ChEMBL30,CHEMBL376372,CCc1ccc(-n2cnc3c(sc4c3c(NCC(F)(F)F)ccn4)c2=O)cc1,HVNDCFLLFFZJIK,HVNDCFLLFFZJIK-UHFFFAOYSA-N,"InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,4,28,5,27,22,23,17,8,3,6,15,14,10,11,13,25,18,19,20,21,24,16,9,7,26,12/E:(3,4)(5,6)(20,21,22)/rA:28CCCCCCNCNCCSCCCNCCFFFCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s18;s18;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-HVNDCFLLFFZJIK_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL376372;11582178,CCc1ccc(-n2cnc3c(sc4c3c(NCC(F)(F)F)ccn4)c2=O)cc1,HVNDCFLLFFZJIK,HVNDCFLLFFZJIK-UHFFFAOYSA-N,"InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,4,28,5,27,22,23,17,8,3,6,15,14,10,11,13,25,18,19,20,21,24,16,9,7,26,12/E:(3,4)(5,6)(20,21,22)/rA:28CCCCCCNCNCCSCCCNCCFFFCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s18;s18;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  7.000;  7.004,7.002000000000001,0.002,0.002,2.0,7.002000000000001,0.002
-HVRKKTFWPIFZCO_on_Q14416_WT,High,ChEMBL30,CHEMBL3764057,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1C#N)cc2,HVRKKTFWPIFZCO,HVRKKTFWPIFZCO-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-19(2,3)12-23-16-10-9-15(21-17(16)22(4)18(23)24)14-8-6-5-7-13(14)11-20/h5-10H,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,16,23,24,21,6,20,15,14,11,12,3,7,22,13,2,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCCCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s20;t21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-HVULWAKNHNMTTA_on_P41594_WT,Low,ChEMBL30,CHEMBL213220,Cc1nc(C#CCOc2cnccc2)ccc1,HVULWAKNHNMTTA,HVULWAKNHNMTTA-UHFFFAOYSA-N,"InChI=1S/C14H12N2O/c1-12-5-2-6-13(16-12)7-4-10-17-14-8-3-9-15-11-14/h2-3,5-6,8-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,16,13,6,17,15,5,14,12,7,10,2,4,9,11,3,8/rA:17CCNCCCCOCCNCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s9d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HVVRTUOTRDAOFY_on_P41594_WT,Medium,ChEMBL30,CHEMBL246040,O=C(Nc1cc(C(F)(F)F)ccc1)c1cccc2c1nc(O)o2,HVVRTUOTRDAOFY,HVVRTUOTRDAOFY-UHFFFAOYSA-N,"InChI=1S/C15H9F3N2O3/c16-15(17,18)8-3-1-4-9(7-8)19-13(21)10-5-2-6-11-12(10)20-14(22)23-11/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:12,16,11,13,15,17,5,6,4,14,18,19,2,21,7,8,9,10,3,20,1,22,23/E:(16,17,18)/rA:23OCNCCCCFFFCCCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s4d12;s2;d14;s15;d16;s17;s14d18;s19;d20;s21;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-HVYIQBGXHPRJMO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL259435;CHEMBL409928;CHEMBL259435,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1(F)C(=O)O,HVYIQBGXHPRJMO,HVYIQBGXHPRJMO-UHFFFAOYSA-N,"InChI=1S/C20H18FNO5/c21-19(17(23)24)10-16(19)20(22,18(25)26)9-13-11-5-1-3-7-14(11)27-15-8-4-2-6-12(13)15/h1-8,13,16H,9-10,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,3,22,5,13,4,10,12,21,25,18,23,2,24,1,26,27,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(14,15)(23,24)(25,26)/rA:27NCCCCCCCCCOCCCCCCCOOCCCFCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL929194,PMID:18348906,2008.0,PMID:18348906,2008,1,0,0,0,0,,=,  8.350;  8.460;  6.680,7.83,0.8140000000000001,0.5760000000000001,3.0,8.35,0.11
-HWAXOXRRJFJRSF_on_P41594_WT,High,ChEMBL30,CHEMBL4242453,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1,HWAXOXRRJFJRSF,HWAXOXRRJFJRSF-UHFFFAOYSA-N,"InChI=1S/C51H69N9O5S/c1-41-54-44(40-66-41)22-20-42-32-46(35-52-34-42)64-39-51(61)53-24-14-11-16-26-57(2)25-15-9-7-5-6-8-10-17-27-60-37-45(55-56-60)38-65-49-23-21-43(33-50(49)63-4)36-58-28-30-59(31-29-58)47-18-12-13-19-48(47)62-3/h12-13,18-19,21,23,32-35,37,40H,5-11,14-17,24-31,36,38-39H2,1-4H3,(H,53,61)","""AuxInfo=1/1/N:60,40,14,1,34,33,35,32,36,31,43,17,16,44,37,42,30,18,15,54,21,55,22,45,38,41,29,8,20,9,19,52,4,62,64,6,27,25,49,57,59,53,5,56,26,51,11,12,23,3,47,63,46,61,66,65,39,7,10,28,48,13,2,50,24,58/E:(28,29)(30,31)/rA:66COCCCCNCCNCCOCCCCCCCCCCOCCCNCCCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s39;s41;s42;s43;s44;s45;s46;d47;s47;s49;s50;d51;s52;s53;t54;s55;d56;s57;s58;s59;s56d59;d53;s62;s51d63;s28;s26d65;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-HWBAWYMZGWIFTR_on_P41594_WT,High,ChEMBL30,CHEMBL3702430,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncs4)C3=C2)cn1,HWBAWYMZGWIFTR,HWBAWYMZGWIFTR-UHFFFAOYSA-N,"InChI=1S/C20H17N5OS/c1-13-10-24(11-23-13)19-7-17-15-3-2-4-16(18-8-21-12-27-18)14(15)5-6-25(17)20(26)9-22-19/h2-4,7-8,10-12H,5-6,9H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,25,20,7,3,26,22,2,13,14,18,24,19,5,8,21,6,27,4,10,9,23/rA:27CCCNCNCCONCCCCCCCCCCNCSCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s19s22;s10s14;s5w?24;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-HWBAWYMZGWIFTR_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702430,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncs4)C3=C2)cn1,HWBAWYMZGWIFTR,HWBAWYMZGWIFTR-UHFFFAOYSA-N,"InChI=1S/C20H17N5OS/c1-13-10-24(11-23-13)19-7-17-15-3-2-4-16(18-8-21-12-27-18)14(15)5-6-25(17)20(26)9-22-19/h2-4,7-8,10-12H,5-6,9H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,25,20,7,3,26,22,2,13,14,18,24,19,5,8,21,6,27,4,10,9,23/rA:27CCCNCNCCONCCCCCCCCCCNCSCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s19s22;s10s14;s5w?24;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HWFIZNADZOTYAB_on_P41594_WT,High,ChEMBL30,CHEMBL3644375,COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1,HWFIZNADZOTYAB,HWFIZNADZOTYAB-UHFFFAOYSA-N,"InChI=1S/C25H22FN5O2/c1-33-25(8-9-25)21-14-30(15-29-21)23-11-20-19-4-2-3-17(16-5-6-22(26)27-12-16)18(19)7-10-31(20)24(32)13-28-23/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,32,33,13,29,27,9,5,30,21,20,15,16,28,4,24,7,10,3,25,26,8,31,6,12,11,2/E:(8,9)/rA:33COCCCNCNCCONCCCCCCCCCCCCFNCCCCNCC/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s24;s21d26;s12s16;s7w?28;s6;s4d30;s3;s3s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-HWFIZNADZOTYAB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644375,COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1,HWFIZNADZOTYAB,HWFIZNADZOTYAB-UHFFFAOYSA-N,"InChI=1S/C25H22FN5O2/c1-33-25(8-9-25)21-14-30(15-29-21)23-11-20-19-4-2-3-17(16-5-6-22(26)27-12-16)18(19)7-10-31(20)24(32)13-28-23/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,32,33,13,29,27,9,5,30,21,20,15,16,28,4,24,7,10,3,25,26,8,31,6,12,11,2/E:(8,9)/rA:33COCCCNCNCCONCCCCCCCCCCCCFNCCCCNCC/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s24;s21d26;s12s16;s7w?28;s6;s4d30;s3;s3s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HWGZRRMCVQFHPS_on_P41594_WT,High,ChEMBL30,CHEMBL2338595,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cc(Cl)ccc1,HWGZRRMCVQFHPS,HWGZRRMCVQFHPS-UHFFFAOYSA-N,"InChI=1S/C20H20Cl2N2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:17,25,6,18,26,16,24,7,5,13,21,19,12,20,14,22,8,4,10,2,15,23,9,3,11,1/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26OCNCCCCCNCOCCCClCCCCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-HWIYILAGTKTAMO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960577,Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)cc(C)n1,HWIYILAGTKTAMO,HWIYILAGTKTAMO-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c1-12-9-15(10-13(2)26-12)19-18-5-7-29-8-6-28(18)20(27-19)14-3-4-16(17(22)11-14)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,17,22,6,5,13,18,23,19,20,21,29,25,12,9/E:(1,2)(9,10)(12,13)(23,24,25)/rA:29CCCCCCCCOCCNCCCCCCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-HWIYPLZVPBTTOH_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46887272;CHEMBL1095702,CCCCCC1CN(c2ccccc2)C(=O)O1,HWIYPLZVPBTTOH,HWIYPLZVPBTTOH-UHFFFAOYSA-N,"InChI=1S/C14H19NO2/c1-2-3-5-10-13-11-15(14(16)17-13)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,10,14,5,7,9,6,15,8,16,17/E:(6,7)(8,9)/rA:17CCCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s6s15;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.102;  6.100,6.101,0.001,0.001,2.0,6.101,0.001
-HWJQBJYGDVQVRX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893626,CN1C(=O)C(c2ncc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C,HWJQBJYGDVQVRX,HWJQBJYGDVQVRX-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O/c1-20(2)11-10-17(19(25)24(20)3)18-22-12-15(13-23-18)5-4-14-6-8-16(21)9-7-14/h6-9,12-13,17H,10-11H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,10,13,18,14,17,21,22,8,19,12,9,15,5,6,3,23,16,7,20,2,4/E:(1,2)(6,7)(8,9)(12,13)(22,23)/rA:25CNCOCCNCCCCCCCCFCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-HWKCLORKWKMUIF_on_O00222_WT,High,ChEMBL30,CHEMBL4075877,NC(CCP(=O)(O)C(N)c1csc([N+](=O)[O-])c1)C(=O)O,HWKCLORKWKMUIF,HWKCLORKWKMUIF-UHFFFAOYSA-N,"InChI=1S/C9H14N3O6PS/c10-6(9(13)14)1-2-19(17,18)8(11)5-3-7(12(15)16)20-4-5/h3-4,6,8H,1-2,10-11H2,(H,13,14)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,8,18,1,9,14,19,20,15,16,6,7,5,12/E:(13,14)(15,16)(17,18)/CRV:12.5/rA:20NCCCPOOCNCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-HWKCLORKWKMUIF_on_Q14833_WT,High,ChEMBL30,CHEMBL4075877,NC(CCP(=O)(O)C(N)c1csc([N+](=O)[O-])c1)C(=O)O,HWKCLORKWKMUIF,HWKCLORKWKMUIF-UHFFFAOYSA-N,"InChI=1S/C9H14N3O6PS/c10-6(9(13)14)1-2-19(17,18)8(11)5-3-7(12(15)16)20-4-5/h3-4,6,8H,1-2,10-11H2,(H,13,14)(H,17,18)","""AuxInfo=1/1/N:3,4,17,11,10,2,13,8,18,1,9,14,19,20,15,16,6,7,5,12/E:(13,14)(15,16)(17,18)/CRV:12.5/rA:20NCCCPOOCNCCSCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s13;d14;s14;s10d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-HWOWPGLTTSFLOQ_on_O00591_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_O14764_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P14867_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P18505_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P18507_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P28472_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P31644_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P34903_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P47869_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P47870_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P48169_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_P78334_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWOWPGLTTSFLOQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL75289,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12,HWOWPGLTTSFLOQ,HWOWPGLTTSFLOQ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)","""AuxInfo=1/1/N:8,7,9,19,18,6,10,20,17,4,14,5,21,13,16,11,2,15,3,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-HWPJTSREUYQZNO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2431425;71656844,Cc1nc2c(CN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccc(F)cc3)C2)s1,HWPJTSREUYQZNO,HWPJTSREUYQZNO-UHFFFAOYSA-N,"InChI=1S/C24H20F2N4OS/c1-14-9-17(5-8-19(14)26)20-10-30(24(28-20)16-3-6-18(25)7-4-16)13-23(31)29-11-21-22(12-29)32-15(2)27-21/h3-10H,11-13H2,1-2H3","""AuxInfo=1/0/N:17,1,25,30,21,26,29,20,15,12,31,6,10,16,2,24,14,27,18,13,4,5,8,23,28,19,3,22,7,11,9,32/E:(3,4)(6,7)/rA:32CCNCCCNCOCNCCCCCCCFCCNCCCCCFCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;d16;s18;s18;s14d20;s13;s11d22;s23;d24;s25;d26;s27;s27;s24d29;s4s7;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294;PubChemAID:772427,PMID:24900753,2013.0,PMID:24900753;PubChemAID:772427,2013;2014,0,1;0,0,0,0;1,,=,  7.190;  7.194,7.192,0.002,0.002,2.0,7.192,0.002
-HWSQYUSRWUZBPM_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771645,O=C(C1CCCC1)N1CCCC1c1nc(-c2cccc(F)c2)no1,HWSQYUSRWUZBPM,HWSQYUSRWUZBPM-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2/c19-14-8-3-7-13(11-14)16-20-17(24-21-16)15-9-4-10-22(15)18(23)12-5-1-2-6-12/h3,7-8,11-12,15H,1-2,4-6,9-10H2","""AuxInfo=1/0/N:5,6,18,10,4,7,17,19,11,9,22,3,16,20,12,15,13,2,21,14,23,8,1,24/E:(1,2)(5,6)/rA:24OCCCCCCNCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;s8s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-HWTRVTWTEQIXOY_on_Q05586_WT,Low,ChEMBL30,CHEMBL67249,c1ccc(Oc2ccc(Cc3nc4c(cccc4)[nH]3)cc2)cc1,HWTRVTWTEQIXOY,HWTRVTWTEQIXOY-UHFFFAOYSA-N,"InChI=1S/C20H16N2O/c1-2-6-16(7-3-1)23-17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,16,17,3,22,15,18,8,20,7,21,10,9,4,6,14,13,11,19,12,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(21,22)/rA:23CCCCOCCCCCCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s9;s6d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.580;  6.700,6.64,0.06,0.06,2.0,6.64,0.06
-HWTRVTWTEQIXOY_on_Q13224_WT,Low,ChEMBL30,CHEMBL67249,c1ccc(Oc2ccc(Cc3nc4c(cccc4)[nH]3)cc2)cc1,HWTRVTWTEQIXOY,HWTRVTWTEQIXOY-UHFFFAOYSA-N,"InChI=1S/C20H16N2O/c1-2-6-16(7-3-1)23-17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,16,17,3,22,15,18,8,20,7,21,10,9,4,6,14,13,11,19,12,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(21,22)/rA:23CCCCOCCCCCCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s9;s6d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.580;  6.700,6.64,0.06,0.06,2.0,6.64,0.06
-HWWJCYIYBBEGDP_on_P14867_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-HWWJCYIYBBEGDP_on_P18507_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720;  7.520;  7.120;  6.620,6.995,0.35600000000000004,0.20600000000000002,4.0,6.92,0.25
-HWWJCYIYBBEGDP_on_P28472_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720;  7.120;  6.620;  7.520,6.995,0.35600000000000004,0.20600000000000002,4.0,6.92,0.25
-HWWJCYIYBBEGDP_on_P31644_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-HWWJCYIYBBEGDP_on_P34903_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-HWWJCYIYBBEGDP_on_P47869_WT,Low,ChEMBL30,CHEMBL180417,Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,HWWJCYIYBBEGDP,HWWJCYIYBBEGDP-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-17-7-5-10-21(27-17)11-6-16-32-26-23-19-14-12-18(13-15-19)22(23)25-29-28-24(31(25)30-26)20-8-3-2-4-9-20/h2-5,7-10,18-19H,6,11-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,8,3,16,20,5,7,28,30,27,31,9,2,29,26,15,6,24,25,14,23,11,32,21,22,12,13,10/E:(3,4)(8,9)(12,13)(14,15)/rA:32CCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-HWYYEVMZVBENRT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3952838,FC(F)Oc1cccc(Nc2c3ncccc3n[nH]2)c1,HWYYEVMZVBENRT,HWYYEVMZVBENRT-UHFFFAOYSA-N,"InChI=1S/C13H10F2N4O/c14-13(15)20-9-4-1-3-8(7-9)17-12-11-10(18-19-12)5-2-6-16-11/h1-7,13H,(H2,17,18,19)","""AuxInfo=1/1/N:7,15,8,6,16,14,20,9,5,17,12,11,2,1,3,13,10,18,19,4/E:(14,15)/rA:20FCFOCCCCCNCCNCCCCNNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-HXCPOFFWWVIHBV_on_P41594_WT,Medium,ChEMBL30,CHEMBL365869,FC(F)(F)Oc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,HXCPOFFWWVIHBV,HXCPOFFWWVIHBV-UHFFFAOYSA-N,"InChI=1S/C19H12F3N5O/c20-19(21,22)28-17-10-2-1-8-15(17)13-6-5-7-14(12-13)27-25-18(24-26-27)16-9-3-4-11-23-16/h1-12H","""AuxInfo=1/0/N:26,27,21,20,10,9,11,25,22,28,19,24,8,12,7,17,6,16,2,1,3,4,18,15,23,14,13,5/E:(20,21,22)/rA:28FCFFOCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;d10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;s8d12;s7;d25;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-HXEJAEDEMWCUTP_on_O15399_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_O60391_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_Q05586_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_Q12879_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_Q13224_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXEJAEDEMWCUTP_on_Q14957_WT,Low,ChEMBL30,CHEMBL80081,CCCCNC(=N)NCCCC,HXEJAEDEMWCUTP,HXEJAEDEMWCUTP-UHFFFAOYSA-N,"InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)","""AuxInfo=1/1/N:1,12,2,11,3,10,4,9,6,7,5,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:12CCCCNCNNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.310,4.31,0.0,0.0,1.0,4.31,0.0
-HXJDWGRSSOPYEB_on_O15399_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.360;  4.690,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_O60391_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  5.360,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  5.360,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.360;  4.690,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  5.360,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.360;  4.690,5.025,0.335,0.335,2.0,5.025,0.335
-HXJDWGRSSOPYEB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180230,N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1,HXJDWGRSSOPYEB,HXJDWGRSSOPYEB-UHFFFAOYSA-N,"InChI=1S/C17H21N7O/c18-16(19)22-9-11-6-12(10-23-17(20)21)8-14(7-11)24-15(25)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,24,25)(H4,18,19,22)(H4,20,21,23)","""AuxInfo=1/1/N:15,14,16,13,17,25,7,18,5,20,6,19,12,8,10,2,22,1,3,23,24,4,21,9,11/E:(2,3)(4,5)(7,8)(9,10)(11,12)(16,17)(18,19,20,21)(22,23)/gE:(2,3)/rA:25NCNNCCCCNCOCCCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;d8;s18;s19;s20;w?21;s22;s22;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.690;  5.360,5.025,0.335,0.335,2.0,5.025,0.335
-HXLFRUFAEMCSCX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110839,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)c1,HXLFRUFAEMCSCX,HXLFRUFAEMCSCX-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-8-16(4-5-20(13)31-23(25)26)22-28-21(17-9-14(2)27-18(10-17)11-24)19-6-7-30-15(3)12-29(19)22/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:28,1,15,20,21,11,12,29,31,7,5,16,27,2,14,19,8,4,10,22,9,18,24,6,25,26,3,30,17,13,23/E:(25,26)/rA:31CCNCCFCCCCCCOCCCNCCCCCOCFFCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s22;s27;s19d27;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-HXNBGBOZDFURTH_on_P41594_WT,High,ChEMBL30,CHEMBL4082155,O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1,HXNBGBOZDFURTH,HXNBGBOZDFURTH-UHFFFAOYSA-N,"InChI=1S/C21H11ClF3NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(23)9-19(16)26-11-20(21)29(27,28)15-6-8-17(24)18(25)10-15/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,5,20,6,16,11,13,23,26,17,4,21,7,9,15,12,22,27,18,8,10,14,1,3,2/E:(1,2)(3,4)(27,28)/CRV:29.6/rA:29OSOCCCCFCFCCCNCCCFCCCCCCCCClCC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-HXRKYFIRLIPADY_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647576,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1,HXRKYFIRLIPADY,HXRKYFIRLIPADY-UHFFFAOYSA-N,"InChI=1S/C23H18FN5O2S/c1-2-32(30,31)17-6-7-18(15(9-17)11-25)19-10-14(3-8-21(19)24)20-12-27-28-23-22(20)26-13-29(23)16-4-5-16/h3,6-10,12-13,16H,2,4-5H2,1H3","""AuxInfo=1/0/N:1,2,25,23,24,7,8,26,32,11,30,14,20,12,29,22,6,9,10,13,27,18,17,28,31,19,15,16,21,4,5,3/E:(4,5)(30,31)/CRV:32.6/rA:32CCSOOCCCCCCCCCNNCCNCNCCCCCCFCCNC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22s23;d12;s25;s10d26;s27;s9;s29;t30;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-HXUBAOHIYUZXCG_on_Q14416_WT,High,ChEMBL30,CHEMBL3883801,Clc1c(OCc2ccc(-c3ccccc3)cc2)ccn2c(CC3CC3)nnc12,HXUBAOHIYUZXCG,HXUBAOHIYUZXCG-UHFFFAOYSA-N,"InChI=1S/C23H20ClN3O/c24-22-20(12-13-27-21(14-16-6-7-16)25-26-23(22)27)28-15-17-8-10-19(11-9-17)18-4-2-1-3-5-18/h1-5,8-13,16H,6-7,14-15H2","""AuxInfo=1/0/N:13,12,14,11,15,24,25,7,17,8,16,18,19,22,5,23,6,10,9,3,21,2,28,1,26,27,20,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:28ClCCOCCCCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s6d16;s3;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s2s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-HXUSRWUBSYSWII_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL369459;10470232,O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1,HXUSRWUBSYSWII,HXUSRWUBSYSWII-UHFFFAOYSA-N,"InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2","""AuxInfo=1/0/N:7,6,8,18,5,9,19,11,12,17,3,23,21,4,10,20,22,13,2,15,14,1,16/E:(2,3)(5,6)/rA:23OCCCCCCCCCCCCNCOCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;d14;s15;s16;s17;s18;s15s19;d20;s13s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  7.850;  7.854,7.852,0.002,0.002,2.0,7.852,0.002
-HXUSUWGGPOJXNZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1630079;53316688;CHEMBL1630080,Cc1c(C(C)OC(=O)Nc2cc(F)ccc2)sc2nncn12,HXUSUWGGPOJXNZ,HXUSUWGGPOJXNZ-UHFFFAOYSA-N,"InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)","""AuxInfo=1/1/N:1,5,15,14,16,11,21,2,4,12,10,3,18,7,13,20,9,19,22,8,6,17/rA:22CCCCCOCONCCCFCCCSCNNCN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082;PubChemAID:546886;CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228;PubChemAID:546886;PMID:21051228,2010;2011;2010,1;0;1,0,0,0,0;1;0,,=,  7.200;  7.400;  7.400,7.332999999999999,0.094,0.067,3.0,7.4,0.0
-HXYHQEZJOCAKSI_on_P41594_WT,High,ChEMBL30,CHEMBL3702401,O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3,HXYHQEZJOCAKSI,HXYHQEZJOCAKSI-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c26-22-13-24-20(16-7-11-27-14-16)12-21-19-3-1-2-17(15-4-8-23-9-5-15)18(19)6-10-25(21)22/h1-5,7-9,11-12,14H,6,10,13H2","""AuxInfo=1/0/N:26,25,27,20,24,15,10,21,23,16,9,11,3,7,19,6,18,14,13,5,12,2,22,4,17,1,8/E:(4,5)(8,9)/rA:27OCCNCCCOCCCCCCCCNCCCCNCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;s8;s6d9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d19;s20;d21;s22;s19d23;d18;s25;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-HXYHQEZJOCAKSI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702401,O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3,HXYHQEZJOCAKSI,HXYHQEZJOCAKSI-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c26-22-13-24-20(16-7-11-27-14-16)12-21-19-3-1-2-17(15-4-8-23-9-5-15)18(19)6-10-25(21)22/h1-5,7-9,11-12,14H,6,10,13H2","""AuxInfo=1/0/N:26,25,27,20,24,15,10,21,23,16,9,11,3,7,19,6,18,14,13,5,12,2,22,4,17,1,8/E:(4,5)(8,9)/rA:27OCCNCCCOCCCCCCCCNCCCCNCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;s8;s6d9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d19;s20;d21;s22;s19d23;d18;s25;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-HYEZAIIGRMBBII_on_P41594_WT,High,ChEMBL30,CHEMBL3601915,CCCC(NC(=O)c1ccccn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,HYEZAIIGRMBBII,HYEZAIIGRMBBII-UHFFFAOYSA-N,"InChI=1S/C21H22ClN5O/c1-3-6-18(27-21(28)19-7-4-5-10-23-19)15-11-17(22)20(25-12-15)26-16-9-8-14(2)24-13-16/h4-5,7-13,18H,3,6H2,1-2H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,24,2,10,11,3,9,22,21,12,15,28,26,23,14,20,16,4,8,18,6,17,13,25,27,19,5,7/rA:28CCCCNCOCCCCCNCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s4;d14;s15;s16;d16;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s14d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-HYGFOSVYFHHYRR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3905377,CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)CC1(C)C,HYGFOSVYFHHYRR,HYGFOSVYFHHYRR-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-7-6-13(10-21-16)4-5-14-8-15(19)11-20-9-14/h6-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,10,11,8,7,18,13,19,15,21,9,12,16,6,3,22,17,14,20,2,5,4/E:(1,2)/rA:24CNCONCCCCCCCCNCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-HYGJPVUOYCSNGB_on_Q14416_WT,High,ChEMBL30,CHEMBL596527,Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2c1cccc2,HYGJPVUOYCSNGB,HYGJPVUOYCSNGB-UHFFFAOYSA-N,"InChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3","""AuxInfo=1/0/N:1,15,25,24,14,16,26,23,13,7,18,6,19,4,8,17,21,22,12,3,9,20,10,2,5,11/E:(10,11)(12,13)/rA:26CNCCNCCCCNSCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s9s12d16;s8;s5s18;d3;s20;s2d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.600;  6.700,6.15,0.55,0.55,2.0,6.15,0.55
-HYHWSRWYMPPWAU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787241,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(ccc(Cl)c4)C3=O)cc2)occ1,HYHWSRWYMPPWAU,HYHWSRWYMPPWAU-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N2O3/c1-11-6-7-27-18(11)19(25)23-14-3-5-17(16(22)9-14)24-10-12-8-13(21)2-4-15(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,24,16,23,27,26,20,8,13,2,14,18,7,15,9,11,3,4,21,19,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCClCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-HYIPRKOLBSYAEF_on_P41594_WT,High,ChEMBL30,CHEMBL596587,O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCCCC1,HYIPRKOLBSYAEF,HYIPRKOLBSYAEF-UHFFFAOYSA-N,"InChI=1S/C19H22ClN3O/c20-16-7-9-17(10-8-16)22-18-11-6-15(14-21-18)19(24)23-12-4-2-1-3-5-13-23/h6-11,14H,1-5,12-13H2,(H,21,22)","""AuxInfo=1/1/N:21,20,22,19,23,4,10,13,9,14,5,18,24,16,3,11,8,6,2,12,15,7,17,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:24OCCCCCNCCCCClCCNCNCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s21;s22;s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-HYJUIJYNZHZBOK_on_O00591_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_O14764_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P14867_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P18505_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P18507_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P28472_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P31644_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P34903_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P47869_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P47870_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P48169_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_P78334_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_Q16445_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJUIJYNZHZBOK_on_Q99928_WT,Low,ChEMBL30,CHEMBL67951,CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1,HYJUIJYNZHZBOK,HYJUIJYNZHZBOK-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2/c1-17(2,3)10-21-16(20)14-8-12-11-6-4-5-7-13(11)19-15(12)9-18-14/h4-9,19H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,11,5,15,20,14,9,12,7,2,10,13,8,6/E:(1,2,3)/rA:21CCCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-HYJWPTWQMAYKAM_on_Q14833_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1830711;CHEMBL1830711;46836713,c1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc1,HYJWPTWQMAYKAM,HYJWPTWQMAYKAM-UHFFFAOYSA-N,"InChI=1S/C13H12N6S/c1-3-9-8(7-16-19-9)11-10(4-1)20-13(17-11)18-12-14-5-2-6-15-12/h2,5-7H,1,3-4H2,(H,16,19)(H,14,15,17,18)","""AuxInfo=1/1/N:11,1,12,10,2,20,15,14,13,9,8,4,6,3,19,16,7,5,17,18/E:(5,6)(14,15)/rA:20CCNCNCNCCCCCCCCNNSNC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610660;CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:26231155;PMID:21688779;PubChemAID:618715,2015;2011;2012,0,1;1;0,0,0,0;0;1,,=,  8.050;  8.150;  8.155,8.118,0.048,0.034,3.0,8.15,0.005
-HYKURPVCXQRZHF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939934,COc1cc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)ccn1,HYKURPVCXQRZHF,HYKURPVCXQRZHF-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O2/c1-29-22-12-15(8-9-26-22)10-14-2-7-18-19(16-3-5-17(24)6-4-16)13-21(23(25)28)27-20(18)11-14/h2-9,11-13H,10H2,1H3,(H2,25,28)","""AuxInfo=1/1/N:1,8,13,18,14,17,9,27,28,6,26,4,19,7,5,12,15,10,11,25,20,3,21,16,22,29,24,23,2/E:(3,4)(5,6)/rA:29COCCCCCCCCCCCCCFCCCCCNONCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;d5;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-HYOGJHCDLQSAHX_on_Q14416_WT,High,ChEMBL30,CHEMBL3337527,CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O,HYOGJHCDLQSAHX,HYOGJHCDLQSAHX-UHFFFAOYSA-N,"InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3","""AuxInfo=1/0/N:1,2,3,16,15,17,14,18,11,19,7,4,10,20,6,13,12,8,21,23,22,9,5,24/E:(5,6)(7,8)(9,10)(13,14)/rA:24CCCCNCCCNCCCCCCCCCCCCClCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;s9s19;d8;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3362388;CHEMBL3858878;CHEMBL3858857;CHEMBL3858856;CHEMBL3858855;CHEMBL3858854;CHEMBL3858853;CHEMBL3858852;CHEMBL3858851;CHEMBL3858844,PMID:25032784,2014.0,PMID:25032784;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727;PMID:27579727,2014;2016;2016;2016;2016;2016;2016;2016;2016;2016,1;0;0;0;0;0;0;0;0;0,0;0;1;1;1;1;1;1;1;1,0,0;1;0;0;0;0;0;0;0;0,0,,=,  7.170;  6.750;  6.580;  5.590;  5.790;  7.110;  5.700;  5.870;  7.190;  6.830,6.457999999999999,0.619,0.20600000000000002,10.0,6.665,0.515
-HYWYYRIUKUWQLA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107924,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)ccn1,HYWYYRIUKUWQLA,HYWYYRIUKUWQLA-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c1-12-9-14(5-7-26-12)19-18-6-8-29-13(2)11-28(18)20(27-19)15-3-4-16(17(22)10-15)21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,18,23,6,5,14,19,24,20,21,22,29,26,13,9/E:(23,24,25)/rA:29CCCCCCCCOCCCNCCCCCCFFFCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-HYXFNGLXNMLTNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1783270,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,HYXFNGLXNMLTNQ,HYXFNGLXNMLTNQ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3/c1-27-13-8-9-18(28-2)16(10-13)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H2,23,24)","""AuxInfo=1/1/N:1,8,12,11,13,22,23,4,5,28,19,21,3,10,14,9,18,6,17,15,27,24,16,26,20,25,2,7/E:(6,7)/rA:28COCCCCOCCCCCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s21s22;s17s20;d24;s18;s10s14d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-HYXFNGLXNMLTNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1783270,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,HYXFNGLXNMLTNQ,HYXFNGLXNMLTNQ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3/c1-27-13-8-9-18(28-2)16(10-13)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H2,23,24)","""AuxInfo=1/1/N:1,8,12,11,13,22,23,4,5,28,19,21,3,10,14,9,18,6,17,15,27,24,16,26,20,25,2,7/E:(6,7)/rA:28COCCCCOCCCCCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s21s22;s17s20;d24;s18;s10s14d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-HYXFNGLXNMLTNQ_on_P47869_WT,Low,ChEMBL30,CHEMBL1783270,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1,HYXFNGLXNMLTNQ,HYXFNGLXNMLTNQ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3/c1-27-13-8-9-18(28-2)16(10-13)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H2,23,24)","""AuxInfo=1/1/N:1,8,12,11,13,22,23,4,5,28,19,21,3,10,14,9,18,6,17,15,27,24,16,26,20,25,2,7/E:(6,7)/rA:28COCCCCOCCCCCCCCNCCCNCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s21s22;s17s20;d24;s18;s10s14d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-HZAPEUKZUCPGNJ_on_Q14833_WT,High,ChEMBL30,CHEMBL4248273,Cn1nc(OC2CCOCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,HZAPEUKZUCPGNJ,HZAPEUKZUCPGNJ-UHFFFAOYSA-N,"InChI=1S/C19H20N6O2/c1-25-16-11-12(21-18-17-15(22-23-18)3-2-8-20-17)4-5-14(16)19(24-25)27-13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,21,22,26,27,7,11,20,8,10,14,15,6,12,23,13,18,17,4,19,16,24,25,3,2,9,5/E:(6,7)(9,10)/rA:27CNNCOCCCOCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s4;s2d12;s13;d14;s15;s16;d17;s18;d19;s20;d21;s18s22;d23;s17s24;s15;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-HZCDQLPIMAICCU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3895570,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1,HZCDQLPIMAICCU,HZCDQLPIMAICCU-UHFFFAOYSA-N,"InChI=1S/C24H22N4O2/c1-15-26-13-17(14-27-15)4-3-16-5-10-20-21(18-6-8-19(30-2)9-7-18)12-23(24(25)29)28-22(20)11-16/h5-14H,3-4H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:25,1,19,20,17,5,29,4,30,16,28,8,22,27,24,18,21,6,3,15,7,14,9,10,11,23,26,13,12,2/E:(6,7)(8,9)(13,14)(26,27)/rA:30COCCCCCCCCNONCCCCCCCCCNCCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-HZCGREABLMJKGL_on_P41594_WT,High,ChEMBL30,CHEMBL3745940,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncccc1,HZCGREABLMJKGL,HZCGREABLMJKGL-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,23,22,9,13,24,21,17,16,4,6,5,8,3,19,2,20,14,18,15,1,7/E:(2,3)(6,7)/rA:24OCCCCCOCCCCCCNNCCNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.120;  6.120,6.12,0.0,0.0,2.0,6.12,0.0
-HZDFUJFVZWUGMH_on_P18507_WT,Low,ChEMBL30,CHEMBL1079089,FC(F)c1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,HZDFUJFVZWUGMH,HZDFUJFVZWUGMH-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-11-10-4-21-13(17-5-19-21)8-3-7(12(15)16)1-2-9(8)20(10)6-18-11/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:9,8,5,16,19,11,4,6,7,15,13,2,21,14,1,3,20,12,18,10,17/E:(15,16)/rA:21FCFCCCCCCNCNCClCCNNCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;s10d13;s15;s16;s17;d18;s19;s6s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-HZDFUJFVZWUGMH_on_P28472_WT,Low,ChEMBL30,CHEMBL1079089,FC(F)c1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,HZDFUJFVZWUGMH,HZDFUJFVZWUGMH-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-11-10-4-21-13(17-5-19-21)8-3-7(12(15)16)1-2-9(8)20(10)6-18-11/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:9,8,5,16,19,11,4,6,7,15,13,2,21,14,1,3,20,12,18,10,17/E:(15,16)/rA:21FCFCCCCCCNCNCClCCNNCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;s10d13;s15;s16;s17;d18;s19;s6s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-HZDFUJFVZWUGMH_on_P31644_WT,Low,ChEMBL30,CHEMBL1079089,FC(F)c1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,HZDFUJFVZWUGMH,HZDFUJFVZWUGMH-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-11-10-4-21-13(17-5-19-21)8-3-7(12(15)16)1-2-9(8)20(10)6-18-11/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:9,8,5,16,19,11,4,6,7,15,13,2,21,14,1,3,20,12,18,10,17/E:(15,16)/rA:21FCFCCCCCCNCNCClCCNNCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;s10d13;s15;s16;s17;d18;s19;s6s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-HZHLBDSGWGQZAV_on_Q13255_WT,High,ChEMBL30,CHEMBL2205922,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,HZHLBDSGWGQZAV,HZHLBDSGWGQZAV-UHFFFAOYSA-N,"InChI=1S/C16H12ClN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,8,14,19,16,5,12,11,4,6,23,20,9,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCNSCCNCNCCCCClCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-HZPLOPOZKSZUIE_on_P41594_WT,Low,ChEMBL30,CHEMBL1092277,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,HZPLOPOZKSZUIE,HZPLOPOZKSZUIE-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,13,2,18,15,6,11,10,4,7,22,19,5,12,3,8,14,23,9/E:(2,3)(4,5)/rA:23CCNCNCCNSCCNCNCCCCClCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-HZPLOPOZKSZUIE_on_Q13255_WT,High,ChEMBL30,CHEMBL1092277,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,HZPLOPOZKSZUIE,HZPLOPOZKSZUIE-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,13,2,18,15,6,11,10,4,7,22,19,5,12,3,8,14,23,9/E:(2,3)(4,5)/rA:23CCNCNCCNSCCNCNCCCCClCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-HZQBESXNBCILDZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1290218;52948559,O=C(COCc1ccncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,HZQBESXNBCILDZ,HZQBESXNBCILDZ-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O2/c18-13-1-2-16(15(19)9-13)22-5-7-23(8-6-22)17(24)11-25-10-14-3-4-20-12-21-14/h1-4,9,12H,5-8,10-11H2","""AuxInfo=1/0/N:18,17,7,8,14,24,13,25,21,5,3,10,19,6,22,16,2,20,23,9,11,15,12,1,4/E:(5,6)(7,8)/rA:25OCCOCCCCNCNNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.550;  5.553,5.551,0.002,0.002,2.0,5.551,0.002
-HZXACHZTSSHLKG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484128,CC1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)O1,HZXACHZTSSHLKG,HZXACHZTSSHLKG-UHFFFAOYSA-N,"InChI=1S/C17H17NO2/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,7,17,8,16,3,5,2,6,10,9,18,4,19,20/E:(3,4)(5,6)(7,8)(9,10)/rA:20CCCNCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s6d16;s4;d18;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-HZYHQJXUEKIREU_on_P14867_WT,High,ExCAPE-DB,21930923,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,PubChemAID:349341,PMID:18790643,2008.0,PubChemAID:349341,2010,0,0,0,0,1,,=,  6.542,6.542000000000001,0.0,0.0,1.0,6.542000000000001,0.0
-HZYHQJXUEKIREU_on_P18507_WT,Low,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999413;CHEMBL999414;CHEMBL999412;CHEMBL999410;CHEMBL999409;CHEMBL4042549,PMID:18790643,2008.0,PMID:18790643;PMID:18790643;PMID:18790643;PMID:18790643;PMID:18790643;PMID:27933953,2008;2008;2008;2008;2008;2016,0,0;0;0;0;0;1,0,1;1;1;1;1;0,0,,=,  7.860;  6.000;  5.820;  7.350;  6.540;  6.840,6.735,0.715,0.32,6.0,6.69,0.675
-HZYHQJXUEKIREU_on_P28472_WT,Low,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999414;CHEMBL4042549;CHEMBL999413;CHEMBL999412;CHEMBL999410;CHEMBL999409,PMID:18790643,2008.0,PMID:18790643;PMID:27933953;PMID:18790643;PMID:18790643;PMID:18790643;PMID:18790643,2008;2016;2008;2008;2008;2008,0,0;1;0;0;0;0,0,1;0;1;1;1;1,0,,=,  6.000;  6.840;  7.860;  5.820;  7.350;  6.540,6.735,0.715,0.32,6.0,6.69,0.675
-HZYHQJXUEKIREU_on_P31644_WT,High,ExCAPE-DB,21930923,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,PubChemAID:349345,PMID:18790643,2008.0,PubChemAID:349345,2010,0,0,0,0,1,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-HZYHQJXUEKIREU_on_P34903_WT,High,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-HZYHQJXUEKIREU_on_P47869_WT,Low,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-HZYHQJXUEKIREU_on_P48169_WT,Low,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL999412,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-HZYHQJXUEKIREU_on_Q16445_WT,Low,ChEMBL30,CHEMBL522055,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21,HZYHQJXUEKIREU,HZYHQJXUEKIREU-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3","""AuxInfo=1/0/N:1,24,2,23,13,12,14,11,15,4,5,8,17,26,3,10,7,6,18,9,19,20,16,25,27,21,22/E:(6,7)(8,9)/rA:27CCCCCCCCCCCCCCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IACRYXFWKJOMEI_on_P18507_WT,Low,ChEMBL30,CHEMBL1783252,CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N,IACRYXFWKJOMEI,IACRYXFWKJOMEI-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-8-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-10-12(2)9-13(3)11-14/h5-7,9-11H,4,8H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,18,2,21,20,22,3,16,13,19,14,17,12,11,23,24,10,7,5,25,4,9,8,6/E:(2,3)(10,11)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s17;s12d17;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-IACRYXFWKJOMEI_on_P28472_WT,Low,ChEMBL30,CHEMBL1783252,CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N,IACRYXFWKJOMEI,IACRYXFWKJOMEI-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-8-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-10-12(2)9-13(3)11-14/h5-7,9-11H,4,8H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,18,2,21,20,22,3,16,13,19,14,17,12,11,23,24,10,7,5,25,4,9,8,6/E:(2,3)(10,11)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s17;s12d17;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-IACRYXFWKJOMEI_on_P47869_WT,Low,ChEMBL30,CHEMBL1783252,CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N,IACRYXFWKJOMEI,IACRYXFWKJOMEI-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-8-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-10-12(2)9-13(3)11-14/h5-7,9-11H,4,8H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,18,2,21,20,22,3,16,13,19,14,17,12,11,23,24,10,7,5,25,4,9,8,6/E:(2,3)(10,11)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s17;s12d17;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-IADROWGKULIMIX_on_P14867_WT,Low,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1065531,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-IADROWGKULIMIX_on_P18507_WT,Low,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1065532;CHEMBL1065531;CHEMBL1065533,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  5.090;  6.130;  5.810,5.6770000000000005,0.435,0.308,3.0,5.81,0.32
-IADROWGKULIMIX_on_P31644_WT,Medium,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1065535,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-IADROWGKULIMIX_on_P34903_WT,Low,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1065533,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-IADROWGKULIMIX_on_P47869_WT,Low,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1065532,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  5.090,5.09,0.0,0.0,1.0,5.09,0.0
-IADROWGKULIMIX_on_P47870_WT,Low,ChEMBL30,CHEMBL1198373,COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3,IADROWGKULIMIX,IADROWGKULIMIX-UHFFFAOYSA-O,"InChI=1S/C16H12N2O3/c1-20-10-5-6-11-12-9-18-7-3-2-4-14(18)17-16(19)15(12)21-13(11)8-10/h2-8H,9H2,1H3/p+1","""AuxInfo=1/5/N:1,19,18,20,4,5,17,11,21,3,6,7,10,15,8,12,14,16,13,2,9/rA:21COCCCCCCOCCCONCN+CCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s6s9;s3d10;s8;d12;s12;s14;d15;s16;d17;s18;s15d19;s7s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1065533;CHEMBL1065531;CHEMBL1065532,PMID:19962901,2010.0,PMID:19962901,2010,0,0,0,1,0,,=,  5.810;  6.130;  5.090,5.6770000000000005,0.435,0.308,3.0,5.81,0.32
-IADVCSUFBXJTCE_on_P14867_WT,Low,ChEMBL30,CHEMBL223524,Oc1noc(C2CCNCC2)c1-c1cccc(Cl)c1,IADVCSUFBXJTCE,IADVCSUFBXJTCE-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2,(H,17,18)","""AuxInfo=1/1/N:15,14,16,7,11,8,10,19,6,13,17,12,5,2,18,9,3,1,4/E:(4,5)(6,7)/rA:19OCNOCCCCNCCCCCCCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-IADVCSUFBXJTCE_on_P18507_WT,Low,ChEMBL30,CHEMBL223524,Oc1noc(C2CCNCC2)c1-c1cccc(Cl)c1,IADVCSUFBXJTCE,IADVCSUFBXJTCE-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2,(H,17,18)","""AuxInfo=1/1/N:15,14,16,7,11,8,10,19,6,13,17,12,5,2,18,9,3,1,4/E:(4,5)(6,7)/rA:19OCNOCCCCNCCCCCCCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-IADVCSUFBXJTCE_on_P28472_WT,Low,ChEMBL30,CHEMBL223524,Oc1noc(C2CCNCC2)c1-c1cccc(Cl)c1,IADVCSUFBXJTCE,IADVCSUFBXJTCE-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2,(H,17,18)","""AuxInfo=1/1/N:15,14,16,7,11,8,10,19,6,13,17,12,5,2,18,9,3,1,4/E:(4,5)(6,7)/rA:19OCNOCCCCNCCCCCCCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-IADYAKBUQIPXKK_on_Q14832_WT,Low,ChEMBL30,CHEMBL2204444,CCN1CCCC1CC(=O)c1ccc(C#Cc2ccc(OC)cc2)cc1,IADYAKBUQIPXKK,IADYAKBUQIPXKK-UHFFFAOYSA-N,"InChI=1S/C23H25NO2/c1-3-24-16-4-5-21(24)17-23(25)20-12-8-18(9-13-20)6-7-19-10-14-22(26-2)15-11-19/h8-15,21H,3-5,16-17H2,1-2H3","""AuxInfo=1/0/N:1,22,2,5,6,15,16,13,25,18,24,12,26,19,23,4,8,14,17,11,7,20,9,3,10,21/E:(8,9)(10,11)(12,13)(14,15)/rA:26CCNCCCCCCOCCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;d9;s9;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s21;s20;s17d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IAMYDXLMYQNHNO_on_Q13224_WT,High,ChEMBL30,CHEMBL425642,CC(OC(=O)N1CCC(CNc2ncccn2)CC1)c1ccccc1,IAMYDXLMYQNHNO,IAMYDXLMYQNHNO-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-15(17-6-3-2-4-7-17)25-19(24)23-12-8-16(9-13-23)14-22-18-20-10-5-11-21-18/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,23,22,24,15,21,25,8,18,14,16,7,19,10,2,9,20,12,4,13,17,11,6,5,3/E:(3,4)(6,7)(8,9)(10,11)(12,13)(20,21)/rA:25CCOCONCCCCNCNCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6s18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-IANBMCUMTUKMHF_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209517,Nc1nc(O)cc(C=Cc2ccccc2)n1,IANBMCUMTUKMHF,IANBMCUMTUKMHF-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-8H,(H3,13,14,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,9,8,6,10,7,4,2,1,16,3,5/E:(2,3)(4,5)/rA:16NCNCOCCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;w?8;s9;d10;s11;d12;s13;s10d14;s2d7;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-IAOAJNOENSECRP_on_Q14416_WT,High,ChEMBL30,CHEMBL1669390,CCCn1ccc2c(c(Cl)cc(-c3ccc(OC)nc3)c2)c1=O,IAOAJNOENSECRP,IAOAJNOENSECRP-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2O2/c1-3-7-21-8-6-12-9-14(10-15(19)17(12)18(21)22)13-4-5-16(23-2)20-11-13/h4-6,8-11H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,18,2,14,15,6,3,5,21,11,20,7,13,12,9,16,8,22,10,19,4,23,17/rA:23CCCNCCCCCClCCCCCCOCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s16;s13d19;s7d12;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-IARRIGHPRAPTFS_on_Q14416_WT,High,ChEMBL30,CHEMBL2152107,N#Cc1c(-c2cc(Cl)c(OC3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12,IARRIGHPRAPTFS,IARRIGHPRAPTFS-UHFFFAOYSA-N,"InChI=1S/C21H17ClF3N3O2/c22-18-9-13(1-2-19(18)30-15-4-7-29-8-5-15)16-3-6-28-14(10-21(23,24)25)12-27-20(28)17(16)11-26/h1-3,6,9,12,15H,4-5,7-8,10H2","""AuxInfo=1/0/N:18,17,19,12,16,20,13,15,6,23,2,28,5,22,11,4,3,7,9,30,24,8,25,26,27,1,29,21,14,10/E:(4,5)(7,8)(23,24,25)/rA:30NCCCCCCClCOCCCOCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;s12;s13;s14;s11s15;s9;s5d17;s4;d19;s20;s21;s22;s23;s24;s24;s24;d22;s28;s3s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-IAWXTSMHXFRLQR_on_O15303_WT,High,ChEMBL30,CHEMBL9790,N#Cc1cc2=NC(=O)C(=O)N=c2cc1[N+](=O)[O-],IAWXTSMHXFRLQR,IAWXTSMHXFRLQR-UHFFFAOYSA-N,InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,"""AuxInfo=1/0/N:4,13,2,3,5,12,14,7,9,1,6,11,15,8,10,16,17/E:(16,17)/CRV:13.5/rA:17NCCCCNCOCONCCCN+OO-/rB:t1;s2;d3;s4;w?5;s6;d7;s7;d9;s9;s5w?11;s12;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-IAYVUQJOKDFLAL_on_P41594_WT,High,ChEMBL30,CHEMBL4571075,O=C1NC(c2cncc(C#Cc3ccccc3)c2)C(c2c(Cl)cccc2)O1,IAYVUQJOKDFLAL,IAYVUQJOKDFLAL-UHFFFAOYSA-N,"InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)","""AuxInfo=1/1/N:15,14,16,25,24,13,17,26,23,11,10,18,8,6,12,9,5,20,21,4,19,2,22,7,3,1,27/E:(2,3)(6,7)/rA:27OCNCCCNCCCCCCCCCCCCCCClCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;s4;s19;d20;s21;s21;d23;s24;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4479793,PMID:27496211,2016.0,PMID:27496211,2016,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-IAZTYLMUSGYFAU_on_Q05586_WT,Low,ChEMBL30,CHEMBL347424,N=C(C=Cc1ccccc1)NCCc1ccccc1,IAZTYLMUSGYFAU,IAZTYLMUSGYFAU-UHFFFAOYSA-N,"InChI=1S/C17H18N2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,18,19)","""AuxInfo=1/1/N:8,17,7,9,16,18,6,10,15,19,4,3,13,12,5,14,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19NCCCCCCCCCNCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-IAZTYLMUSGYFAU_on_Q13224_WT,Low,ChEMBL30,CHEMBL347424,N=C(C=Cc1ccccc1)NCCc1ccccc1,IAZTYLMUSGYFAU,IAZTYLMUSGYFAU-UHFFFAOYSA-N,"InChI=1S/C17H18N2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,18,19)","""AuxInfo=1/1/N:8,17,7,9,16,18,6,10,15,19,4,3,13,12,5,14,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19NCCCCCCCCCNCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-IBADKRNVNHVAIW_on_P41594_WT,Low,ChEMBL30,CHEMBL256875,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1,IBADKRNVNHVAIW,IBADKRNVNHVAIW-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3/c1-13-11-25-12-15(19(20,21)22)10-18(25)17(23-13)9-6-14-4-7-16(8-5-14)24(2)3/h4-5,7-8,10-12H,1-3H3","""AuxInfo=1/0/N:1,21,22,17,24,15,18,23,14,11,3,5,2,16,6,19,13,12,7,8,9,10,25,20,4/E:(2,3)(4,5)(7,8)(20,21,22)/rA:25CCCNCCCFFFCCCCCCCCCNCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-IBALRBWGSVJPAP_on_O00591_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_O14764_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P14867_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P18505_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P18507_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P28472_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P31644_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P34903_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P47869_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P47870_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P48169_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_P78334_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_Q16445_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBALRBWGSVJPAP_on_Q99928_WT,Low,ChEMBL30,CHEMBL287631,NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,IBALRBWGSVJPAP,IBALRBWGSVJPAP-UHFFFAOYSA-N,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,1,7,18,3/E:(3,4)(5,6)/rA:23NCOCCCNCCCCCClCCCCOCCCFC/rB:s1;d2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-IBCHXMWHJILXER_on_P41594_WT,Low,ChEMBL30,CHEMBL238079,COc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1,IBCHXMWHJILXER,IBCHXMWHJILXER-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-9,19H,1H3","""AuxInfo=1/0/N:1,5,24,4,25,17,18,20,8,16,6,3,14,15,10,11,13,22,19,21,9,7,23,2,12/E:(2,3)(4,5)/rA:25COCCCCNCNCCSCCCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s15s18;s16;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IBCHXMWHJILXER_on_Q13255_WT,High,ChEMBL30,CHEMBL238079,COc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1,IBCHXMWHJILXER,IBCHXMWHJILXER-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-9,19H,1H3","""AuxInfo=1/0/N:1,5,24,4,25,17,18,20,8,16,6,3,14,15,10,11,13,22,19,21,9,7,23,2,12/E:(2,3)(4,5)/rA:25COCCCCNCNCCSCCCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s15s18;s16;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.310,8.31,0.0,0.0,1.0,8.31,0.0
-IBIAGNJTCFFVTB_on_P14867_WT,Low,ChEMBL30,CHEMBL203392,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1,IBIAGNJTCFFVTB,IBIAGNJTCFFVTB-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H,"""AuxInfo=1/0/N:10,9,23,22,25,24,28,13,3,20,11,12,2,17,6,7,26,18,16,5,1,8,27,19,21,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCNCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-IBIAGNJTCFFVTB_on_P18507_WT,Low,ChEMBL30,CHEMBL203392,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1,IBIAGNJTCFFVTB,IBIAGNJTCFFVTB-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H,"""AuxInfo=1/0/N:10,9,23,22,25,24,28,13,3,20,11,12,2,17,6,7,26,18,16,5,1,8,27,19,21,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCNCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865018;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250;  8.460;  8.090,8.267000000000001,0.152,0.107,3.0,8.25,0.16
-IBIAGNJTCFFVTB_on_P28472_WT,Low,ChEMBL30,CHEMBL203392,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1,IBIAGNJTCFFVTB,IBIAGNJTCFFVTB-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H,"""AuxInfo=1/0/N:10,9,23,22,25,24,28,13,3,20,11,12,2,17,6,7,26,18,16,5,1,8,27,19,21,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCNCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865018;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250;  8.460;  8.090,8.267000000000001,0.152,0.107,3.0,8.25,0.16
-IBIAGNJTCFFVTB_on_P31644_WT,Low,ChEMBL30,CHEMBL203392,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1,IBIAGNJTCFFVTB,IBIAGNJTCFFVTB-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H,"""AuxInfo=1/0/N:10,9,23,22,25,24,28,13,3,20,11,12,2,17,6,7,26,18,16,5,1,8,27,19,21,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCNCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-IBIAGNJTCFFVTB_on_P34903_WT,Low,ChEMBL30,CHEMBL203392,Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1,IBIAGNJTCFFVTB,IBIAGNJTCFFVTB-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H,"""AuxInfo=1/0/N:10,9,23,22,25,24,28,13,3,20,11,12,2,17,6,7,26,18,16,5,1,8,27,19,21,4,14,15/rA:28FCCNCCCFCCCCCNNCCCFCNCCCCCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;s12d16;s6d11;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-IBIPNEKWIOPNFP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,9926060;CHEMBL2164556,Clc1c(Cl)c(-c2nc(-c3ccccn3)no2)ccc1,IBIPNEKWIOPNFP,IBIPNEKWIOPNFP-UHFFFAOYSA-N,InChI=1S/C13H7Cl2N3O/c14-9-5-3-4-8(11(9)15)13-17-12(18-19-13)10-6-1-2-7-16-10/h1-7H,"""AuxInfo=1/0/N:11,12,18,17,19,10,13,5,2,9,3,8,6,1,4,14,7,15,16/rA:19ClCCClCCNCCCCCCNNOCCC/rB:s1;d2;s3;s3;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s6s15;d5;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:697343;CHEMBL2166999,PMID:23046966,2012.0,PubChemAID:697343;PMID:23046966,2013;2012,0;1,0,0,0,1;0,,=,  6.562;  6.560,6.561,0.001,0.001,2.0,6.561,0.001
-IBKAUQIOBRBTMT_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215861;11357227,COc1ccc(OCC#Cc2cccc(C)n2)cc1,IBKAUQIOBRBTMT,IBKAUQIOBRBTMT-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3","""AuxInfo=1/0/N:16,1,13,9,14,12,10,4,19,5,18,8,15,11,3,6,17,2,7/E:(8,9)(10,11)/rA:19COCCCCOCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  6.340;  6.342,6.341,0.001,0.001,2.0,6.341,0.001
-IBKHRKCVFDSEOT_on_P41594_WT,High,ChEMBL30,CHEMBL3892904,N#Cc1c(C2CC2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1,IBKHRKCVFDSEOT,IBKHRKCVFDSEOT-UHFFFAOYSA-N,"InChI=1S/C22H16N4/c23-13-17-18(14-11-12-14)19-21(16-9-5-2-6-10-16)25-26-22(19)24-20(17)15-7-3-1-4-8-15/h1-10,14H,11-12H2,(H,24,25,26)","""AuxInfo=1/1/N:15,24,14,16,23,25,13,17,22,26,6,7,2,5,12,21,3,4,8,11,20,9,1,10,19,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26NCCCCCCCCNCCCCCCCNNCCCCCCC/rB:t1;s2;d3;s4;s5;s5s6;s4;d8;s9;s3d10;s11;d12;s13;d14;s15;s12d16;s9;s18;s8d19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-IBLAJVRNAZAEQM_on_P41594_WT,Low,ChEMBL30,CHEMBL3655591,Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)n1,IBLAJVRNAZAEQM,IBLAJVRNAZAEQM-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-4-2-6-13(19-11)16(22)21-14-9-18-10-15(20-14)23-12-5-3-7-17-8-12/h2-10H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,18,3,17,5,19,21,11,13,2,16,6,10,14,7,20,12,23,22,9,8,15/rA:23CCCCCCCONCCNCCOCCCCNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-IBLNKMRFIPWSOY_on_P14867_WT,Low,ChEMBL30,CHEMBL1983350,CC(C)(C)C(O)C=Cc1cc2c(cc1)OCO2,IBLNKMRFIPWSOY,IBLNKMRFIPWSOY-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,8,13,7,10,16,9,12,11,5,2,6,15,17/E:(1,2,3)/rA:17CCCCCOCCCCCCCCOCO/rB:s1;s2;s2;s2;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s12;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4313700,PMID:31539780,2019.0,PMID:31539780,2019,0,1,0,0,0,,=,  4.340,4.34,0.0,0.0,1.0,4.34,0.0
-IBLNKMRFIPWSOY_on_P18507_WT,Low,ChEMBL30,CHEMBL1983350,CC(C)(C)C(O)C=Cc1cc2c(cc1)OCO2,IBLNKMRFIPWSOY,IBLNKMRFIPWSOY-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,8,13,7,10,16,9,12,11,5,2,6,15,17/E:(1,2,3)/rA:17CCCCCOCCCCCCCCOCO/rB:s1;s2;s2;s2;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s12;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4313700,PMID:31539780,2019.0,PMID:31539780,2019,0,1,0,0,0,,=,  4.340,4.34,0.0,0.0,1.0,4.34,0.0
-IBLNKMRFIPWSOY_on_P47870_WT,Low,ChEMBL30,CHEMBL1983350,CC(C)(C)C(O)C=Cc1cc2c(cc1)OCO2,IBLNKMRFIPWSOY,IBLNKMRFIPWSOY-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,8,13,7,10,16,9,12,11,5,2,6,15,17/E:(1,2,3)/rA:17CCCCCOCCCCCCCCOCO/rB:s1;s2;s2;s2;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s12;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4313700,PMID:31539780,2019.0,PMID:31539780,2019,0,1,0,0,0,,=,  4.340,4.34,0.0,0.0,1.0,4.34,0.0
-IBNQBFUQMVEVQX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL188725;2818849,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1c(Cl)cccc1,IBNQBFUQMVEVQX,IBNQBFUQMVEVQX-UHFFFAOYSA-N,"InChI=1S/C22H16ClN3O/c23-19-14-8-7-13-18(19)22(27)24-21-15-20(16-9-3-1-4-10-16)25-26(21)17-11-5-2-6-12-17/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,26,25,8,12,16,20,27,24,5,7,15,21,22,6,4,2,23,3,13,14,1/E:(3,4)(5,6)(9,10)(11,12)/rA:27OCNCCCCCCCCCNNCCCCCCCCClCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;PubChemAID:240173,PMID:15537338,2004.0,PMID:15537338;PubChemAID:240173,2004;2010,0,1;0,0,0,0;1,,=,  5.600;  5.602,5.601,0.001,0.001,2.0,5.601,0.001
-IBODDJLGVKYUBJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784106,Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1,IBODDJLGVKYUBJ,IBODDJLGVKYUBJ-UHFFFAOYSA-N,"InChI=1S/C16H13FN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3","""AuxInfo=1/0/N:5,1,13,18,14,17,3,4,2,12,15,6,7,10,9,20,16,8,21,11,19/E:(3,4)(5,6)/rA:21CCCCCCCNCCOCCCCFCCOCN/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;d12;s13;d14;s15;s15;s12d17;s9;s6s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005;CHEMBL1786293,PMID:19443219,2009.0,PMID:19443219,2009,1;0,0,0,0;1,0,,=,  4.270;  6.390,5.33,1.06,1.06,2.0,5.33,1.06
-IBORFUNCHTVTCD_on_O00591_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_O14764_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P14867_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P18505_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P18507_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P28472_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P31644_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P34903_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P41594_WT,High,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  6.910;  6.670,6.79,0.12,0.12,2.0,6.79,0.12
-IBORFUNCHTVTCD_on_P47869_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P47870_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P48169_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_P78334_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBORFUNCHTVTCD_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410211,Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1,IBORFUNCHTVTCD,IBORFUNCHTVTCD-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,21,22,20,13,16,5,6,9,18,2,4,7,12,8,11,19,3,17,10/rA:22CCNCCCCCCOCCCCCCNCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-IBOYWZUQTSYKKG_on_P41594_WT,Low,ChEMBL30,CHEMBL3655613,Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)n1,IBOYWZUQTSYKKG,IBOYWZUQTSYKKG-UHFFFAOYSA-N,"InChI=1S/C18H13F3N4O2/c1-11-4-2-5-13(23-11)17(26)25-15-6-3-7-16(24-15)27-12-8-9-14(22-10-12)18(19,20)21/h2-10H,1H3,(H,24,25,26)","""AuxInfo=1/1/N:1,4,12,3,5,11,13,17,18,25,2,16,6,19,10,14,7,20,21,22,23,24,27,26,9,8,15/E:(19,20,21)/rA:27CCCCCCCONCCCCCOCCCCCFFFNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-IBPJOIOGTFGBRO_on_P14867_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-IBPJOIOGTFGBRO_on_P18507_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL678745;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.000;  8.430;  7.960;  7.750,8.035,0.247,0.14300000000000002,4.0,7.98,0.125
-IBPJOIOGTFGBRO_on_P28472_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826;CHEMBL678741;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.430;  7.750;  8.000;  7.960,8.035,0.247,0.14300000000000002,4.0,7.98,0.125
-IBPJOIOGTFGBRO_on_P31644_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-IBPJOIOGTFGBRO_on_P34903_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-IBPJOIOGTFGBRO_on_P47869_WT,Low,ChEMBL30,CHEMBL50402,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1,IBPJOIOGTFGBRO,IBPJOIOGTFGBRO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-23-17(13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,24,23,12,16,25,22,28,27,3,5,2,11,4,20,21,10,19,7,26,17,18,8,9,6/E:(3,4)(7,8)/rA:28CCCCCOCNNCCCCCCCNNCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-IBVAJVPOQLTZFS_on_P41594_WT,High,ChEMBL30,CHEMBL395882,Cc1c(C)c2c(cc1)C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O,IBVAJVPOQLTZFS,IBVAJVPOQLTZFS-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3O3/c1-13-6-8-17-20(14(13)2)23(30)27(22(17)29)12-15-11-16(24)7-9-18(15)26-21(28)19-5-3-4-10-25-19/h3-11H,12H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,4,25,26,24,8,17,7,18,27,14,12,2,3,13,15,6,19,23,5,21,9,29,16,28,20,11,22,10,30/rA:30CCCCCCCCCONCCCCClCCCNCOCCCCCNCO/rB:s1;d2;s3;s3;d5;s6;s2d7;s6;d9;s9;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s5s11;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-IBWLVLWBTLWMGM_on_Q14833_WT,High,ExCAPE-DB,56587893,O=C(Nc1ccc2C(=O)NC(=O)c2c1)c1ccccn1,IBWLVLWBTLWMGM,IBWLVLWBTLWMGM-UHFFFAOYSA-N,"InChI=1S/C14H9N3O3/c18-12-9-5-4-8(7-10(9)13(19)17-12)16-14(20)11-3-1-2-6-15-11/h1-7H,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:17,18,16,5,6,19,14,4,7,13,15,8,11,2,20,3,10,9,12,1/rA:20OCNCCCCCONCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;s8;s10;d11;s7s11;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.418,5.417999999999999,0.0,0.0,1.0,5.417999999999999,0.0
-IBXCDDUIZPEBSS_on_P41594_WT,Low,ChEMBL30,CHEMBL3655638,N#Cc1csc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1,IBXCDDUIZPEBSS,IBXCDDUIZPEBSS-UHFFFAOYSA-N,"InChI=1S/C15H9N5O2S/c16-3-10-1-14(23-8-10)15(21)20-11-2-12(5-17-4-11)22-13-6-18-9-19-7-13/h1-2,4-9H,(H,20,21)","""AuxInfo=1/1/N:23,22,2,11,13,17,21,4,19,3,10,14,16,6,7,1,12,18,20,9,8,15,5/E:(6,7)(18,19)/rA:23NCCCSCCONCCNCCOCCNCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IBXUHBAAEUJVSO_on_P31644_WT,High,ChEMBL30,CHEMBL3676502,Cc1c(COc2ccc(C(=O)N(C)C3CCOCC3)cn2)c(-c2ccccc2)no1,IBXUHBAAEUJVSO,IBXUHBAAEUJVSO-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-16-20(22(25-30-16)17-6-4-3-5-7-17)15-29-21-9-8-18(14-24-21)23(27)26(2)19-10-12-28-13-11-19/h3-9,14,19H,10-13,15H2,1-2H3","""AuxInfo=1/0/N:1,13,26,25,27,24,28,8,7,15,19,16,18,20,4,2,23,9,14,3,6,22,10,21,29,12,11,17,5,30/E:(4,5)(6,7)(10,11)(12,13)/rA:30CCCCOCCCCCONCCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s12;s14;s15;s16;s17;s14s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ICBHTYZSTULLFQ_on_P31644_WT,High,ChEMBL30,CHEMBL3681558,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2cccc(F)c2F)no1,ICBHTYZSTULLFQ,ICBHTYZSTULLFQ-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-7-8-17(23-9-13)27-10-15-12(3)28-25-19(15)14-5-4-6-16(21)18(14)22/h4-9,11H,10H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:14,15,1,21,20,22,8,7,16,4,13,2,9,19,3,23,6,25,18,10,24,26,17,12,27,11,5,28/E:(1,2)/rA:28CCCCOCCCCCONCCCCNCCCCCCFCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;s25;d18;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-ICBVQPHEUDNHQW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108816,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)cc(C)n1,ICBVQPHEUDNHQW,ICBVQPHEUDNHQW-UHFFFAOYSA-N,"InChI=1S/C26H30FN3O2/c1-16-11-21(12-17(2)28-16)25-23-9-10-31-18(3)14-30(23)26(29-25)20-7-8-22(27)24(13-20)32-15-19-5-4-6-19/h7-8,11-13,18-19H,4-6,9-10,14-15H2,1-3H3","""AuxInfo=1/0/N:1,31,11,25,24,26,16,17,7,8,3,29,27,12,22,2,30,10,23,15,4,18,6,20,5,14,19,32,28,13,9,21/E:(1,2)(5,6)(11,12)(16,17)/rA:32CCCCCCCCOCCCNCCCCCFCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s24;s23s25;s15d20;s5d14;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-ICCLINKATILEGF_on_P41594_WT,High,ChEMBL30,CHEMBL3660242,Cc1csc(NC(=O)c2cc(N(C)c3cncnc3)ccn2)n1,ICCLINKATILEGF,ICCLINKATILEGF-UHFFFAOYSA-N,"InChI=1S/C15H14N6OS/c1-10-8-23-15(19-10)20-14(22)13-5-11(3-4-18-13)21(2)12-6-16-9-17-7-12/h3-9H,1-2H3,(H,19,20,22)","""AuxInfo=1/1/N:1,13,20,21,10,15,19,3,17,2,11,14,9,7,5,16,18,22,23,6,12,8,4/E:(6,7)(16,17)/rA:23CCCSCNCOCCCNCCCNCNCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s12;s12;d14;s15;d16;s17;s14d18;d11;s20;s9d21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-ICFXZBZASBXILF_on_Q14416_WT,High,ChEMBL30,CHEMBL105296,CCCC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,ICFXZBZASBXILF,ICFXZBZASBXILF-UHFFFAOYSA-N,"InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3","""AuxInfo=1/0/N:1,5,2,9,18,3,19,10,8,17,28,15,13,23,4,14,11,7,24,25,26,27,16,12,21,22,6,20/E:(20,21,22)(25,26)/CRV:28.6/rA:28CCCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;s4;s4;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;d20;d20;s20;s23;s24;s24;s24;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:15149652,2004.0,PMID:19932615,2010,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ICLSGXPHOMUHDE_on_P41594_WT,High,ChEMBL30,CHEMBL3671841,Cc1cccc(C(=O)NC23CCCC(C(=O)Nc4ccnc(C)n4)(CC2)C3)n1,ICLSGXPHOMUHDE,ICLSGXPHOMUHDE-UHFFFAOYSA-N,"InChI=1S/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)","""AuxInfo=1/1/N:1,23,4,12,3,5,19,13,11,25,26,20,27,2,22,6,18,7,15,14,10,21,28,24,17,9,8,16/rA:28CCCCCCCONCCCCCCONCCCNCCNCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;s14;s10s25;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706070;CHEMBL3706069,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,0;1,0,0,1;0,0,,=,  6.430;  7.420,6.925,0.495,0.495,2.0,6.925,0.495
-ICQVDAFSFDFNEL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3975286,O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2C1,ICQVDAFSFDFNEL,ICQVDAFSFDFNEL-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)20(25)23-10-11-24-18(13-23)12-17(22-24)14-26-19-4-2-1-3-5-19/h1-9,12H,10-11,13-14H2","""AuxInfo=1/0/N:21,20,22,19,23,4,9,5,8,11,12,24,26,16,3,6,15,25,18,2,7,14,10,13,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCFCCNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s13d24;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-ICRUULDJFREPHA_on_P41594_WT,Medium,ChEMBL30,CHEMBL359574,NC(=O)c1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,ICRUULDJFREPHA,ICRUULDJFREPHA-UHFFFAOYSA-N,"InChI=1S/C19H13FN6O/c20-13-9-12(15-5-1-2-6-16(15)18(21)27)10-14(11-13)26-24-19(23-25-26)17-7-3-4-8-22-17/h1-11H,(H2,21,27)","""AuxInfo=1/1/N:25,26,20,19,24,27,21,18,7,23,10,6,8,11,5,4,16,2,15,9,1,17,14,22,13,12,3/rA:27NCOCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;d8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s6d11;s5;d24;s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-ICRXVHLGFZYFKS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106969,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)c1,ICRXVHLGFZYFKS,ICRXVHLGFZYFKS-UHFFFAOYSA-N,"InChI=1S/C23H20F4N4O2/c1-13-7-16(9-18(10-24)29-13)21-19-5-6-32-14(2)12-31(19)22(30-21)15-3-4-20(17(8-15)11-28)33-23(25,26)27/h3-4,7-9,14H,5-6,10,12H2,1-2H3","""AuxInfo=1/0/N:1,15,20,21,11,12,33,31,7,5,29,16,2,14,19,8,28,4,10,22,9,18,24,6,25,26,27,30,3,32,17,13,23/E:(25,26,27)/rA:33CCNCCFCCCCCCOCCCNCCCCCOCFFFCCNCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s28;t29;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.310,8.31,0.0,0.0,1.0,8.31,0.0
-ICRYUJPBYIPXQF_on_O00591_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL683061;CHEMBL683061;CHEMBL683063;CHEMBL683063;CHEMBL683065;CHEMBL683062;CHEMBL683064;CHEMBL683062;CHEMBL683064;CHEMBL683060;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;0;1,0;0;0;0;0;0;0;0;0;1;0,0,0,0,,=,  6.190;  4.720;  5.020;  6.130;  6.290;  4.080;  5.090;  5.240;  5.800;  3.638;  5.050,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_O14764_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL683060;CHEMBL683061;CHEMBL683062;CHEMBL683063;CHEMBL683061;CHEMBL683065;CHEMBL683065;CHEMBL683064;CHEMBL683064;CHEMBL683063;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  6.190;  4.080;  6.130;  4.720;  6.290;  5.050;  5.090;  5.800;  5.020;  5.240,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P14867_WT,Low,ChEMBL30,CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL683062;CHEMBL683065;CHEMBL683065;CHEMBL683064;CHEMBL683064;CHEMBL683061;CHEMBL683063;CHEMBL683061;CHEMBL683063;CHEMBL683060;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;0;1,0;0;0;0;0;0;0;0;0;1;0,0,0,0,,=,  4.080;  6.290;  5.050;  5.800;  5.090;  6.190;  5.020;  4.720;  6.130;  3.638;  5.240,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P18505_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683064;CHEMBL683063;CHEMBL683061;CHEMBL683062;CHEMBL683060;CHEMBL683063;CHEMBL683065;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;0;1;1;1,0;0;0;0;0;0;0;1;0;0;0,0,0,0,,=,  5.800;  4.080;  5.050;  5.090;  6.130;  6.190;  5.240;  3.638;  5.020;  6.290;  4.720,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P18507_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683060;CHEMBL683062;CHEMBL683061;CHEMBL683065;CHEMBL683063;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683063;CHEMBL683064,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  4.080;  6.190;  5.050;  5.020;  4.720;  5.800;  5.240;  6.290;  6.130;  5.090,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P28472_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683062;CHEMBL683065;CHEMBL683063;CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683063;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0,0;0;0;0;0;0;0;0;0;0;1,0,0,0,,=,  6.190;  5.090;  5.240;  4.080;  6.290;  6.130;  5.050;  5.800;  4.720;  5.020;  3.638,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P31644_WT,Low,ChEMBL30,CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL683065;CHEMBL683062;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683061;CHEMBL683065;CHEMBL683064;CHEMBL683064;CHEMBL683063;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0,0;0;0;0;0;0;0;0;0;0;1,0,0,0,,=,  5.050;  4.080;  5.240;  4.720;  6.130;  6.190;  6.290;  5.090;  5.800;  5.020;  3.638,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P34903_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683060;CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683064;CHEMBL683062;CHEMBL683061;CHEMBL683064,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  5.050;  4.720;  5.020;  6.130;  5.240;  6.290;  5.800;  4.080;  6.190;  5.090,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P47869_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683060;CHEMBL683065;CHEMBL683063;CHEMBL683062;CHEMBL683061;CHEMBL683064;CHEMBL683061;CHEMBL683062;CHEMBL683064;CHEMBL683065;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  5.050;  6.130;  5.240;  6.190;  5.800;  4.720;  4.080;  5.090;  6.290;  5.020,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P47870_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL683062;CHEMBL683062;CHEMBL683064;CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683063;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0,0;0;0;0;0;0;0;0;0;0;1,0,0,0,,=,  5.240;  4.080;  5.090;  6.290;  4.720;  6.130;  5.050;  5.800;  6.190;  5.020;  3.638,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P48169_WT,Low,ChEMBL30,CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL683061;CHEMBL683061;CHEMBL683064;CHEMBL683064;CHEMBL683062;CHEMBL683060;CHEMBL683063;CHEMBL683065;CHEMBL683063;CHEMBL683062;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;0;1;1;1;1;1,0;0;0;0;0;1;0;0;0;0;0,0,0,0,,=,  4.720;  6.190;  5.090;  5.800;  5.240;  3.638;  5.020;  6.290;  6.130;  4.080;  5.050,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_P78334_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL683060;CHEMBL683062;CHEMBL683063;CHEMBL683062;CHEMBL683064;CHEMBL683063;CHEMBL683064;CHEMBL683065;CHEMBL683061;CHEMBL683061;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  5.240;  6.130;  4.080;  5.090;  5.020;  5.800;  6.290;  6.190;  4.720;  5.050,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL683060;CHEMBL683062;CHEMBL683062;CHEMBL683064;CHEMBL683063;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683061;CHEMBL683064;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  4.080;  5.240;  5.090;  5.020;  4.720;  6.130;  6.290;  6.190;  5.800;  5.050,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL683060;CHEMBL683065;CHEMBL683062;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683063;CHEMBL683064;CHEMBL683064;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.638;  5.050;  5.240;  4.080;  4.720;  5.020;  6.290;  6.130;  5.800;  5.090;  6.190,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_Q16445_WT,Low,ChEMBL30,CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683064;CHEMBL683064;CHEMBL683065;CHEMBL683060;CHEMBL683061;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683063;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;1;1;1;1;1;1,0;0;0;1;0;0;0;0;0;0;0,0,0,0,,=,  5.800;  5.090;  5.050;  3.638;  4.720;  4.080;  6.190;  6.130;  6.290;  5.020;  5.240,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICRYUJPBYIPXQF_on_Q99928_WT,Low,ChEMBL30,CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783;CHEMBL283019;CHEMBL285783,CC(N)c1cc(O)no1,ICRYUJPBYIPXQF,ICRYUJPBYIPXQF-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,5,2,4,6,3,8,7,9/rA:9CCNCCCONO/rB:s1;s2;s2;d4;s5;s6;d6;s4s8;/rC:;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL683064;CHEMBL683062;CHEMBL683063;CHEMBL683060;CHEMBL683061;CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683064;CHEMBL683062;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;1;1;1;1;1;1,0;0;0;1;0;0;0;0;0;0;0,0,0,0,,=,  5.090;  5.240;  5.020;  3.638;  6.190;  4.720;  6.130;  5.050;  5.800;  4.080;  6.290,5.204,0.8190000000000001,0.259,11.0,5.09,0.71
-ICSUUZAKWUFXEV_on_Q14416_WT,High,ChEMBL30,CHEMBL3943547,CC(=O)c1c(O)c(F)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1,ICSUUZAKWUFXEV,ICSUUZAKWUFXEV-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O4/c1-12(28)16-6-7-17(19(22)20(16)29)30-11-13-3-2-4-15(9-13)31-18-8-5-14(10-23-18)21-24-26-27-25-21/h2-10,29H,11H2,1H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,14,13,15,20,31,30,19,29,27,11,2,12,21,16,4,9,18,7,5,22,8,28,23,26,24,25,3,6,10,17/E:(24,25)(26,27)/rA:31CCOCCOCFCOCCCCCCOCCCCCNNNNCNCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;d22;s23;s24;s22d25;s21;s18d27;s12d16;s9;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-ICUFUKKJAFIRMS_on_P41594_WT,High,ChEMBL30,CHEMBL206422,Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2cc(Cl)ccc2)c1,ICUFUKKJAFIRMS,ICUFUKKJAFIRMS-UHFFFAOYSA-N,"InChI=1S/C22H16ClNO3/c1-14-9-17(24-21(25)19-7-2-3-8-20(19)22(24)26)12-18(10-14)27-13-15-5-4-6-16(23)11-15/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,11,12,25,26,24,10,13,3,27,21,16,19,2,20,22,4,17,9,8,14,6,23,5,15,7,18/E:(2,3)(7,8)(19,20)(21,22)(25,26)/rA:27CCCCNCOCCCCCCCOCCOCCCCClCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s5s9;d14;d4;s16;s17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-ICULXPWJMNHYSC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71561287;CHEMBL2334974,CC1CC1C(=O)Nc1c(-c2cccc(CF)n2)c(-c2cc3cn(C)nc3cc2)ns1,ICULXPWJMNHYSC,ICULXPWJMNHYSC-UHFFFAOYSA-N,"InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)","""AuxInfo=1/1/N:1,24,12,13,11,28,27,3,20,15,22,2,19,21,14,4,26,10,9,18,5,8,16,17,7,25,29,23,6,30/rA:30CCCCCONCCCCCCCCFNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s10d14;s9;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d18;s8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:23374867,2013.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  7.301;  7.300,7.3,0.0,0.0,2.0,7.3,0.001
-ICULXPWJMNHYSC_on_Q13255_WT,High,ChEMBL30,CHEMBL2334974,CC1CC1C(=O)Nc1c(-c2cccc(CF)n2)c(-c2cc3cn(C)nc3cc2)ns1,ICULXPWJMNHYSC,ICULXPWJMNHYSC-UHFFFAOYSA-N,"InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)","""AuxInfo=1/1/N:1,24,12,13,11,28,27,3,20,15,22,2,19,21,14,4,26,10,9,18,5,8,16,17,7,25,29,23,6,30/rA:30CCCCCONCCCCCCCCFNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s10d14;s9;s18;d19;s20;d21;s22;s23;s23;s21d25;s26;s19d27;d18;s8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-ICUSIXLCKGVCSQ_on_Q14416_WT,High,ChEMBL30,CHEMBL2206440,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cccc1,ICUSIXLCKGVCSQ,ICUSIXLCKGVCSQ-UHFFFAOYSA-N,"InChI=1S/C22H25ClN4O/c1-28-19-5-3-2-4-17(19)16-8-11-26(12-9-16)18-10-13-27-20(14-15-6-7-15)24-25-22(27)21(18)23/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3","""AuxInfo=1/0/N:1,26,27,25,28,18,19,6,24,22,7,23,21,16,17,5,4,9,3,15,10,12,11,14,13,8,20,2/E:(6,7)(8,9)(11,12)/rA:28COCCCCCNCCClCNNCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923;CHEMBL4627007;CHEMBL4627005;CHEMBL4627005;CHEMBL4627007,PMID:22992024,2012.0,PMID:22992024;PMID:32815361;PMID:32815361;PMID:32815361;PMID:32815361,2012;2020;2020;2020;2020,0,1,0,0,0,,=,  7.700;  8.280;  7.450;  7.430;  8.280,7.827999999999999,0.381,0.191,5.0,7.7,0.27
-ICVBYQROAAJQSU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112442,CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C,ICVBYQROAAJQSU,ICVBYQROAAJQSU-UHFFFAOYSA-N,"InChI=1S/C24H29N3O2/c1-6-28-22-13-19(8-7-15(22)2)24-26-23(20-11-16(3)25-17(4)12-20)21-9-10-29-18(5)14-27(21)24/h7-8,11-13,18H,6,9-10,14H2,1-5H3","""AuxInfo=1/0/N:1,29,13,16,23,2,27,26,19,20,11,17,5,24,28,12,15,22,6,10,18,4,9,7,14,8,25,3,21/E:(3,4)(11,12)(16,17)/rA:29CCOCCCCNCCCCCNCCCCCCOCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;d6;s26;s4d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-ICXBBHNYYCVIBN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3900841,O=C(Nc1cn(S(=O)(=O)c2cc(F)c(F)c(F)c2)nc1)c1ccccn1,ICXBBHNYYCVIBN,ICXBBHNYYCVIBN-UHFFFAOYSA-N,"InChI=1S/C15H9F3N4O3S/c16-11-5-10(6-12(17)14(11)18)26(24,25)22-8-9(7-20-22)21-15(23)13-3-1-2-4-19-13/h1-8H,(H,21,23)","""AuxInfo=1/1/N:23,24,22,25,11,18,20,5,4,10,12,16,21,14,2,13,17,15,26,19,3,6,1,8,9,7/E:(5,6)(11,12)(16,17)(24,25)/CRV:26.6/rA:26OCNCCNSOOCCCFCFCFCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s12;d12;s14;s14;s16;s10d16;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-ICXBQOFQUVGVER_on_P41594_WT,Low,ChEMBL30,CHEMBL373161,Cc1nc(C(=O)Nc2cccc(F)c2)cs1,ICXBQOFQUVGVER,ICXBQOFQUVGVER-UHFFFAOYSA-N,"InChI=1S/C11H9FN2OS/c1-7-13-10(6-16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)","""AuxInfo=1/1/N:1,10,11,9,14,15,2,12,8,4,5,13,3,7,6,16/rA:16CCNCCONCCCCCFCCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;s8d12;d4;s2s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ICYHTUKXCNYVRM_on_P14867_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-ICYHTUKXCNYVRM_on_P18507_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL682709;CHEMBL680432;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.740;  7.550;  7.970;  7.080,7.835,0.61,0.35200000000000004,4.0,7.76,0.445
-ICYHTUKXCNYVRM_on_P28472_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL682709;CHEMBL680669;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.080;  7.550;  8.740;  7.970,7.835,0.61,0.35200000000000004,4.0,7.76,0.445
-ICYHTUKXCNYVRM_on_P31644_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-ICYHTUKXCNYVRM_on_P34903_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-ICYHTUKXCNYVRM_on_P47869_WT,Low,ChEMBL30,CHEMBL121603,Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1,ICYHTUKXCNYVRM,ICYHTUKXCNYVRM-UHFFFAOYSA-N,"InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,26,28,25,29,16,15,18,7,2,27,24,6,13,22,23,12,21,9,17,14,30,19,20,10,11,8/E:(5,6)(7,8)/rA:30CCCCCCCOCNNCCNCCNCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-ICZHWOVOKQFBAM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3972702,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)cc(C)n1,ICZHWOVOKQFBAM,ICZHWOVOKQFBAM-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O2/c1-12-9-15(10-13(2)26-12)19-17-5-7-29-8-6-28(17)20(27-19)14-3-4-18(16(22)11-14)30-21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,2,28,14,4,23,6,17,5,13,19,24,20,21,22,30,26,12,9,18/E:(1,2)(9,10)(12,13)(23,24,25)/rA:30CCCCCCCCOCCNCCCCCOCFFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;s14d23;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-IDAXMZPAWQFAEJ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,44441266;CHEMBL247716,OC1CN=C(c2ccc(OC(F)(F)F)cc2)NC1c1ccccc1,IDAXMZPAWQFAEJ,IDAXMZPAWQFAEJ-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2O2/c18-17(19,20)24-13-8-6-12(7-9-13)16-21-10-14(23)15(22-16)11-4-2-1-3-5-11/h1-9,14-15,23H,10H2,(H,21,22)","""AuxInfo=1/1/N:22,21,23,20,24,7,16,8,15,3,19,6,9,2,18,5,11,12,13,14,4,17,1,10/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:24OCCNCCCCCOCFFFCCNCCCCCCC/rB:s1;s2;s3;w?4;s5;d6;s7;d8;s9;s10;s11;s11;s11;s9;s6d15;s5;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:307754;CHEMBL887786,PMID:17498948,2007.0,PubChemAID:307754;PMID:17498948,2010;2007,0,0,0,0;1,1;0,,=,  5.134;  5.130,5.132000000000001,0.002,0.002,2.0,5.132000000000001,0.002
-IDBBDQXTEVOOKW_on_O15399_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_O60391_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_Q05586_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_Q12879_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_Q13224_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDBBDQXTEVOOKW_on_Q14957_WT,Low,ChEMBL30,CHEMBL435949,COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,IDBBDQXTEVOOKW,IDBBDQXTEVOOKW-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,22,23,16,15,21,24,17,7,19,6,20,11,9,10,14,4,3,13,18,12,8,5,2/E:(9,10)(11,12)/rA:24COCCNCCNCCCNCCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s8;s5s19;s4;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDFQUCRIIVCGFI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3917816,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Cl,IDFQUCRIIVCGFI,IDFQUCRIIVCGFI-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O2/c1-13-10-16(11-14(2)23-13)20-18-6-8-27-9-7-25(18)21(24-20)15-4-5-17(22)19(12-15)26-3/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,26,17,3,8,6,27,13,7,23,2,20/E:(1,2)(10,11)(13,14)/rA:27COCCCCNCCCCCNCCCCCCOCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-IDJAGQSTASLJRW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL370453;11572058,Cc1nc(C#Cc2ccccc2F)cs1,IDJAGQSTASLJRW,IDJAGQSTASLJRW-UHFFFAOYSA-N,"InChI=1S/C12H8FNS/c1-9-14-11(8-15-9)7-6-10-4-2-3-5-12(10)13/h2-5,8H,1H3","""AuxInfo=1/0/N:1,9,10,8,11,6,5,14,2,7,4,12,13,3,15/rA:15CCNCCCCCCCCCFCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;s12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  6.850;  6.854,6.852,0.002,0.002,2.0,6.852,0.002
-IDPBAQRCYZRUJG_on_P41594_WT,Medium,ChEMBL30,CHEMBL187269,CCc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,IDPBAQRCYZRUJG,IDPBAQRCYZRUJG-UHFFFAOYSA-N,"InChI=1S/C20H17N5/c1-2-15-8-3-4-11-18(15)16-9-7-10-17(14-16)25-23-20(22-24-25)19-12-5-6-13-21-19/h3-14H,2H2,1H3","""AuxInfo=1/0/N:1,2,24,23,18,17,7,25,6,8,22,19,16,21,3,5,9,4,14,13,15,12,20,11,10/rA:25CCCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;s4;d22;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-IDPMBLOTVIUKIN_on_P41594_WT,High,ChEMBL30,CHEMBL3644390,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)O)C3=C2)cn1,IDPMBLOTVIUKIN,IDPMBLOTVIUKIN-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-3-14-11-23(12-22-14)19-9-18-17-6-4-5-15(13(2)25)16(17)7-8-24(18)20(26)10-21-19/h4-6,9,11-13,25H,3,7-8,10H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,18,16,13,12,24,8,4,25,20,3,19,14,15,23,6,9,7,26,5,11,22,10/rA:26CCCCNCNCCONCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s11s15;s6w?23;s5;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IDPMBLOTVIUKIN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644390,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)O)C3=C2)cn1,IDPMBLOTVIUKIN,IDPMBLOTVIUKIN-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-3-14-11-23(12-22-14)19-9-18-17-6-4-5-15(13(2)25)16(17)7-8-24(18)20(26)10-21-19/h4-6,9,11-13,25H,3,7-8,10H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,18,16,13,12,24,8,4,25,20,3,19,14,15,23,6,9,7,26,5,11,22,10/rA:26CCCCNCNCCONCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s11s15;s6w?23;s5;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IDTSXEWVFBEMPN_on_P14867_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-IDTSXEWVFBEMPN_on_P18507_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL676826;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.640;  7.250;  7.620;  8.290,7.7,0.374,0.21600000000000003,4.0,7.63,0.195
-IDTSXEWVFBEMPN_on_P28472_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL678745;CHEMBL676826;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.620;  8.290;  7.250;  7.640,7.7,0.374,0.21600000000000003,4.0,7.63,0.195
-IDTSXEWVFBEMPN_on_P31644_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-IDTSXEWVFBEMPN_on_P34903_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-IDTSXEWVFBEMPN_on_P47869_WT,Low,ChEMBL30,CHEMBL298760,c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1,IDTSXEWVFBEMPN,IDTSXEWVFBEMPN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-2-10-16-15(9-1)18-22-21-17(13-6-5-7-13)24(18)23-19(16)25-12-14-8-3-4-11-20-14/h1-4,8-11,13H,5-7,12H2","""AuxInfo=1/0/N:22,21,25,1,13,12,14,24,23,20,2,5,11,4,18,19,10,17,7,3,15,16,8,9,6/E:(6,7)/rA:25CCNCCOCNNCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;d10;s15;s9d16;s17;s7d18;s19;d20;s21;s18d22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-IDVBYGZWDIPMSF_on_O00222_WT,Low,ChEMBL30,CHEMBL59830,CCN1CC(N)(C(=O)O)CC1C(=O)O,IDVBYGZWDIPMSF,IDVBYGZWDIPMSF-UHFFFAOYSA-N,"InChI=1S/C8H14N2O4/c1-2-10-4-8(9,7(13)14)3-5(10)6(11)12/h5H,2-4,9H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,10,4,11,12,7,5,6,3,13,14,8,9/E:(11,12)(13,14)/rA:14CCNCCNCOOCCCOO/rB:s1;s2;s3;s4;s5;s5;d7;s7;s5;s3s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IDVBYGZWDIPMSF_on_P41594_WT,Low,ChEMBL30,CHEMBL59830,CCN1CC(N)(C(=O)O)CC1C(=O)O,IDVBYGZWDIPMSF,IDVBYGZWDIPMSF-UHFFFAOYSA-N,"InChI=1S/C8H14N2O4/c1-2-10-4-8(9,7(13)14)3-5(10)6(11)12/h5H,2-4,9H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,10,4,11,12,7,5,6,3,13,14,8,9/E:(11,12)(13,14)/rA:14CCNCCNCOOCCCOO/rB:s1;s2;s3;s4;s5;s5;d7;s7;s5;s3s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IDVBYGZWDIPMSF_on_Q13255_WT,Low,ChEMBL30,CHEMBL59830,CCN1CC(N)(C(=O)O)CC1C(=O)O,IDVBYGZWDIPMSF,IDVBYGZWDIPMSF-UHFFFAOYSA-N,"InChI=1S/C8H14N2O4/c1-2-10-4-8(9,7(13)14)3-5(10)6(11)12/h5H,2-4,9H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,10,4,11,12,7,5,6,3,13,14,8,9/E:(11,12)(13,14)/rA:14CCNCCNCOOCCCOO/rB:s1;s2;s3;s4;s5;s5;d7;s7;s5;s3s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IDVBYGZWDIPMSF_on_Q14416_WT,Low,ChEMBL30,CHEMBL59830,CCN1CC(N)(C(=O)O)CC1C(=O)O,IDVBYGZWDIPMSF,IDVBYGZWDIPMSF-UHFFFAOYSA-N,"InChI=1S/C8H14N2O4/c1-2-10-4-8(9,7(13)14)3-5(10)6(11)12/h5H,2-4,9H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,10,4,11,12,7,5,6,3,13,14,8,9/E:(11,12)(13,14)/rA:14CCNCCNCOOCCCOO/rB:s1;s2;s3;s4;s5;s5;d7;s7;s5;s3s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IDVBYGZWDIPMSF_on_Q14833_WT,Low,ChEMBL30,CHEMBL59830,CCN1CC(N)(C(=O)O)CC1C(=O)O,IDVBYGZWDIPMSF,IDVBYGZWDIPMSF-UHFFFAOYSA-N,"InChI=1S/C8H14N2O4/c1-2-10-4-8(9,7(13)14)3-5(10)6(11)12/h5H,2-4,9H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,10,4,11,12,7,5,6,3,13,14,8,9/E:(11,12)(13,14)/rA:14CCNCCNCOOCCCOO/rB:s1;s2;s3;s4;s5;s5;d7;s7;s5;s3s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IDWUXOVPWAEEOT_on_Q05586_WT,Low,ChEMBL30,CHEMBL4075349,C=CC1CN(CCCCc2ccccc2)CCc2c1cc(O)cc2,IDWUXOVPWAEEOT,IDWUXOVPWAEEOT-UHFFFAOYSA-N,"InChI=1S/C22H27NO/c1-2-19-17-23(14-7-6-10-18-8-4-3-5-9-18)15-13-20-11-12-21(24)16-22(19)20/h2-5,8-9,11-12,16,19,24H,1,6-7,10,13-15,17H2","""AuxInfo=1/0/N:1,2,13,12,14,8,7,11,15,9,24,23,17,6,16,20,4,10,3,18,21,19,5,22/E:(4,5)(8,9)/rA:24CCCCNCCCCCCCCCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;s17;s3d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-IDWUXOVPWAEEOT_on_Q13224_WT,Low,ChEMBL30,CHEMBL4075349,C=CC1CN(CCCCc2ccccc2)CCc2c1cc(O)cc2,IDWUXOVPWAEEOT,IDWUXOVPWAEEOT-UHFFFAOYSA-N,"InChI=1S/C22H27NO/c1-2-19-17-23(14-7-6-10-18-8-4-3-5-9-18)15-13-20-11-12-21(24)16-22(19)20/h2-5,8-9,11-12,16,19,24H,1,6-7,10,13-15,17H2","""AuxInfo=1/0/N:1,2,13,12,14,8,7,11,15,9,24,23,17,6,16,20,4,10,3,18,21,19,5,22/E:(4,5)(8,9)/rA:24CCCCNCCCCCCCCCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;s17;s3d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-IDYFBSUTCWBHIY_on_Q14833_WT,Low,ChEMBL30,CHEMBL3799524,Nc1c(C(=O)Nc2cc(Cl)c(N3CCCC3=O)cc2)nccc1,IDYFBSUTCWBHIY,IDYFBSUTCWBHIY-UHFFFAOYSA-N,"InChI=1S/C16H15ClN4O2/c17-11-9-10(5-6-13(11)21-8-2-4-14(21)22)20-16(23)15-12(18)3-1-7-19-15/h1,3,5-7,9H,2,4,8,18H2,(H,20,23)","""AuxInfo=1/1/N:22,14,23,15,19,18,21,13,8,7,9,2,11,16,3,4,10,1,20,6,12,17,5/rA:23NCCCONCCCClCNCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;s12s15;d16;s11;s7d18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,>;<,  5.000;  8.000,6.5,1.5,1.5,2.0,6.5,1.5
-IDZDKMNEPBYXQX_on_P14867_WT,Low,ChEMBL30,CHEMBL557713,C=CCc1cc(-c2ccc(OC)c(C=CC)c2)c(O)cc1,IDZDKMNEPBYXQX,IDZDKMNEPBYXQX-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,21,8,20,9,5,17,4,7,13,6,18,10,19,11/rA:21CCCCCCCCCCOCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;w?14;s15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-IDZDKMNEPBYXQX_on_P47870_WT,Low,ChEMBL30,CHEMBL557713,C=CCc1cc(-c2ccc(OC)c(C=CC)c2)c(O)cc1,IDZDKMNEPBYXQX,IDZDKMNEPBYXQX-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,21,8,20,9,5,17,4,7,13,6,18,10,19,11/rA:21CCCCCCCCCCOCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;w?14;s15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-IEDCFFRFAIAYGF_on_P14867_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.680;  7.680,7.68,0.0,0.0,2.0,7.68,0.0
-IEDCFFRFAIAYGF_on_P18507_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL824296;CHEMBL822165;CHEMBL823916;CHEMBL685338;CHEMBL678329;CHEMBL683045;CHEMBL683047;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;1998;2000;2000;2000,0,0,0,1,0,,=,  7.920;  7.680;  8.000;  9.430;  7.680;  7.380;  7.380;  8.000;  7.920;  9.430,8.082,0.708,0.23600000000000002,10.0,7.92,0.24
-IEDCFFRFAIAYGF_on_P28472_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL823916;CHEMBL685338;CHEMBL683047;CHEMBL824296;CHEMBL822165;CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,2000;1998;1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  7.920;  8.000;  9.430;  7.380;  7.920;  7.680;  7.680;  9.430;  8.000;  7.380,8.082,0.708,0.23600000000000002,10.0,7.92,0.24
-IEDCFFRFAIAYGF_on_P31644_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.430;  9.430,9.43,0.0,0.0,2.0,9.43,0.0
-IEDCFFRFAIAYGF_on_P34903_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.000;  8.000,8.0,0.0,0.0,2.0,8.0,0.0
-IEDCFFRFAIAYGF_on_P47869_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.920;  7.920,7.92,0.0,0.0,2.0,7.92,0.0
-IEDCFFRFAIAYGF_on_Q16445_WT,Low,ChEMBL30,CHEMBL336728,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21,IEDCFFRFAIAYGF,IEDCFFRFAIAYGF-UHFFFAOYSA-N,"InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,23,3,7,6,14,16,15,9,17,22,11,24,10,18,19/rA:24CCCCCCCCCONCCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.380;  7.380,7.38,0.0,0.0,2.0,7.38,0.0
-IEDYNHIHAZMUGE_on_Q14416_WT,High,ChEMBL30,CHEMBL594386,N#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CC(F)(F)F)cnc12,IEDYNHIHAZMUGE,IEDYNHIHAZMUGE-UHFFFAOYSA-N,"InChI=1S/C18H16F3N7/c19-18(20,21)10-13-12-25-16-14(11-22)15(2-5-28(13)16)26-6-8-27(9-7-26)17-23-3-1-4-24-17/h1-5,12H,6-10H2","""AuxInfo=1/0/N:12,17,11,13,18,6,16,7,15,21,2,26,20,3,4,28,9,22,23,24,25,1,10,14,27,5,8,19/E:(3,4)(6,7)(8,9)(19,20,21)(23,24)/rA:28NCCCNCCNCNCCCNCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s22;s22;d20;s26;s3s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-IEICEJJHYFWOJD_on_P14867_WT,Low,ChEMBL30,CHEMBL3289485,CCCCN(CCCC)C(=O)c1c(-c2ccc3OCOc3c2)cccc1,IEICEJJHYFWOJD,IEICEJJHYFWOJD-UHFFFAOYSA-N,"InChI=1S/C22H27NO3/c1-3-5-13-23(14-6-4-2)22(24)19-10-8-7-9-18(19)17-11-12-20-21(15-17)26-16-25-20/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,24,25,23,26,15,16,4,6,22,19,14,13,12,17,21,10,5,11,18,20/E:(1,2)(3,4)(5,6)(13,14)/rA:26CCCCNCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;d23;s24;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-IEICEJJHYFWOJD_on_P18507_WT,Low,ChEMBL30,CHEMBL3289485,CCCCN(CCCC)C(=O)c1c(-c2ccc3OCOc3c2)cccc1,IEICEJJHYFWOJD,IEICEJJHYFWOJD-UHFFFAOYSA-N,"InChI=1S/C22H27NO3/c1-3-5-13-23(14-6-4-2)22(24)19-10-8-7-9-18(19)17-11-12-20-21(15-17)26-16-25-20/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,24,25,23,26,15,16,4,6,22,19,14,13,12,17,21,10,5,11,18,20/E:(1,2)(3,4)(5,6)(13,14)/rA:26CCCCNCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;d23;s24;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-IEICEJJHYFWOJD_on_P47870_WT,Low,ChEMBL30,CHEMBL3289485,CCCCN(CCCC)C(=O)c1c(-c2ccc3OCOc3c2)cccc1,IEICEJJHYFWOJD,IEICEJJHYFWOJD-UHFFFAOYSA-N,"InChI=1S/C22H27NO3/c1-3-5-13-23(14-6-4-2)22(24)19-10-8-7-9-18(19)17-11-12-20-21(15-17)26-16-25-20/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,24,25,23,26,15,16,4,6,22,19,14,13,12,17,21,10,5,11,18,20/E:(1,2)(3,4)(5,6)(13,14)/rA:26CCCCNCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;d23;s24;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-IEKGETLZAYFREU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3914010,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1C,IEKGETLZAYFREU,IEKGETLZAYFREU-UHFFFAOYSA-N,"InChI=1S/C15H14N4O3S2/c1-10-3-4-13(7-11(10)2)24(21,22)19-9-12(8-17-19)18-14(20)15-16-5-6-23-15/h3-9H,1-2H3,(H,18,20)","""AuxInfo=1/1/N:1,24,3,4,17,18,22,20,10,2,23,11,5,13,15,16,21,12,9,14,7,8,19,6/E:(21,22)/CRV:24.6/rA:24CCCCCSOONCCNCOCNCCSCNCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s15s18;s11;s9d20;s5;s2d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-IEKLDABYSCMDOV_on_P41594_WT,Low,ChEMBL30,CHEMBL1630074,Cc1c(C(C)OC(=O)N(C)c2ccccc2)sc2ncnn12,IEKLDABYSCMDOV,IEKLDABYSCMDOV-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2S/c1-10-13(22-14-16-9-17-19(10)14)11(2)21-15(20)18(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3","""AuxInfo=1/0/N:1,5,10,14,13,15,12,16,20,2,4,11,3,18,7,19,21,9,22,8,6,17/E:(5,6)(7,8)/rA:22CCCCCOCONCCCCCCCSCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;s9;d11;s12;d13;s14;s11d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-IENBDACSGWWOEM_on_P41594_WT,High,ChEMBL30,CHEMBL3959651,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2ccc(F)cc2)O1,IENBDACSGWWOEM,IENBDACSGWWOEM-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O2/c21-16-5-3-14(4-6-16)18-17(25-19(26)27-18)15-7-12(10-24-11-15)1-2-13-8-20(22,23)9-13/h3-7,10-11,13,17-18H,8-9H2,(H,25,26)","""AuxInfo=1/1/N:8,9,21,26,22,25,6,11,15,16,18,7,10,20,5,23,4,19,2,12,24,13,14,17,3,1,27/E:(3,4)(5,6)(8,9)(22,23)/rA:27OCNCCCCCCCCCFFCCNCCCCCCFCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;d22;s23;s23;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  7.460;  7.060,7.26,0.2,0.2,2.0,7.26,0.2
-IENGTFIKQCTJCK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108673,Cc1nn(C)cc1-c1cc(C(N)=O)nc2cc(CN3CC(C)OC(C(F)(F)F)C3)ccc12,IENGTFIKQCTJCK,IENGTFIKQCTJCK-UHFFFAOYSA-N,"InChI=1S/C22H24F3N5O2/c1-12-8-30(11-20(32-12)22(23,24)25)9-14-4-5-15-16(17-10-29(3)28-13(17)2)7-19(21(26)31)27-18(15)6-14/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,26,31)","""AuxInfo=1/1/N:22,1,5,30,31,16,9,20,18,6,29,21,2,17,32,8,7,15,10,24,11,25,26,27,28,12,14,3,4,19,13,23/E:(23,24,25)/rA:32CCNNCCCCCCCNONCCCCNCCCOCCFFFCCCC/rB:s1;d2;s3;s4;s4;s2d6;s7;d8;s9;s10;s11;d11;d10;s14;d15;s16;s17;s18;s19;s20;s21;s21;s23;s24;s25;s25;s25;s19s24;d17;s30;s8s15d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IEOATOPXFRBXIK_on_O15399_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-IEOATOPXFRBXIK_on_O60391_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-IEOATOPXFRBXIK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-IEOATOPXFRBXIK_on_Q05586_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920;  6.090;  7.220,6.742999999999999,0.478,0.33799999999999997,3.0,6.92,0.3
-IEOATOPXFRBXIK_on_Q12879_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920;  7.220,7.07,0.15,0.15,2.0,7.07,0.15
-IEOATOPXFRBXIK_on_Q13224_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746993;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.090;  6.920,6.505,0.415,0.415,2.0,6.505,0.415
-IEOATOPXFRBXIK_on_Q14957_WT,Low,ChEMBL30,CHEMBL12301,O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12,IEOATOPXFRBXIK,IEOATOPXFRBXIK-UHFFFAOYSA-N,"InChI=1S/C18H18N3O5P/c22-16-17(23)21-15-12(6-3-7-14(15)19-16)18(27(24,25)26)20-13-9-8-10-4-1-2-5-11(10)13/h1-7,13,18,20H,8-9H2,(H,19,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:12,13,18,11,14,17,19,9,8,10,15,16,7,20,27,22,24,5,21,6,26,23,25,1,3,4,2/E:(24,25,26)/rA:27OPOOCNCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s13;s7s10d14;s5;d16;s17;d18;s19;d20;s21;s22;d22;s24;s24;s16s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-IERCHHGTJHHXEG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907626,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)(O)CC3)cc2n1,IERCHHGTJHHXEG,IERCHHGTJHHXEG-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O3/c23-16-4-2-15(3-5-16)18-12-20(21(24)27)25-19-11-14(1-6-17(18)19)13-26-9-7-22(28,29)8-10-26/h1-6,11-12,28-29H,7-10,13H2,(H2,24,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,25,20,26,27,5,18,17,7,10,14,6,28,4,2,22,11,1,29,19,3,23,24/E:(2,3)(4,5)(7,8)(9,10)(28,29)/rA:29NCOCCCCCCCFCCCCCCCNCCCOOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s22;s19s25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-IETDPLAEMJJGRZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978791,NC(=O)c1cc(-c2cn(C3CC3)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,IETDPLAEMJJGRZ,IETDPLAEMJJGRZ-UHFFFAOYSA-N,"InChI=1S/C22H22F3N5O2/c23-22(24,25)20-12-29(5-6-32-20)10-13-1-4-16-17(8-19(21(26)31)28-18(16)7-13)14-9-27-30(11-14)15-2-3-15/h1,4,7-9,11,15,20H,2-3,5-6,10,12H2,(H2,26,31)","""AuxInfo=1/1/N:17,11,12,16,21,22,30,5,14,19,8,29,18,7,10,15,6,31,4,24,2,25,26,27,28,1,13,32,20,9,3,23/E:(2,3)(23,24,25)/rA:32NCOCCCCCNCCCNCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;s10;s10s11;s9;s7d13;d6;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;d18;s15s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-IEVCDTZGMXQVPI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3967432,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1cccnc1)cc2,IEVCDTZGMXQVPI,IEVCDTZGMXQVPI-UHFFFAOYSA-N,"InChI=1S/C25H29N5O2/c1-25(2,3)15-30-21-10-9-20(27-22(21)28(4)24(30)32)19-12-18-8-7-17(19)14-29(18)23(31)16-6-5-11-26-13-16/h5-6,9-13,17-18H,7-8,14-15H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,27,26,19,18,31,32,28,16,30,21,6,25,20,17,15,14,11,12,23,3,7,29,13,2,22,5,24,4/E:(1,2,3)/rA:32CNCONCCCCCCCNCCCCCCCCNCOCCCCNCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;d27;s28;s25d29;s14;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888322;CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.520;  7.000,6.76,0.24,0.24,2.0,6.76,0.24
-IEVYVZRYCHDEKH_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771684,O=C(C1CCCCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,IEVYVZRYCHDEKH,IEVYVZRYCHDEKH-UHFFFAOYSA-N,"InChI=1S/C20H24FN3O2/c21-16-10-6-9-15(13-16)18-22-19(26-23-18)17-11-4-5-12-24(17)20(25)14-7-2-1-3-8-14/h6,9-10,13-14,17H,1-5,7-8,11-12H2","""AuxInfo=1/0/N:6,5,7,12,11,20,4,8,19,21,13,10,24,3,18,22,14,17,15,2,23,16,25,9,1,26/E:(2,3)(7,8)/rA:26OCCCCCCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;s12;s9s13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-IFBAGWIMPPBASO_on_P14867_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4348552;CHEMBL676826,PMID:15027873,2004.0,PMID:30928713;PMID:15027873,2019;2004,0,0,0,1,0,,=,  6.550;  6.550,6.55,0.0,0.0,2.0,6.55,0.0
-IFBAGWIMPPBASO_on_P18507_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826;CHEMBL4348555;CHEMBL681841;CHEMBL4348552;CHEMBL4348554,PMID:15027873,2004.0,PMID:15027873;PMID:15027873;PMID:15027873;PMID:30928713;PMID:15027873;PMID:30928713;PMID:30928713,2004;2004;2004;2019;2004;2019;2019,0,0,0,1,0,,=,  7.390;  7.420;  6.550;  7.420;  7.800;  6.550;  7.390,7.2170000000000005,0.44299999999999995,0.18100000000000002,7.0,7.39,0.03
-IFBAGWIMPPBASO_on_P28472_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841;CHEMBL4348552;CHEMBL4348554;CHEMBL4348555,PMID:15027873,2004.0,PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873;PMID:30928713;PMID:30928713;PMID:30928713,2004;2004;2004;2004;2019;2019;2019,0,0,0,1,0,,=,  7.420;  7.390;  6.550;  7.800;  6.550;  7.390;  7.420,7.2170000000000005,0.44299999999999995,0.18100000000000002,7.0,7.39,0.03
-IFBAGWIMPPBASO_on_P31644_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4348555;CHEMBL678745,PMID:15027873,2004.0,PMID:30928713;PMID:15027873,2019;2004,0,0,0,1,0,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-IFBAGWIMPPBASO_on_P34903_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4348554;CHEMBL678741,PMID:15027873,2004.0,PMID:30928713;PMID:15027873,2019;2004,0,0,0,1,0,,=,  7.390;  7.390,7.39,0.0,0.0,2.0,7.39,0.0
-IFBAGWIMPPBASO_on_P47869_WT,Low,ChEMBL30,CHEMBL50581,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IFBAGWIMPPBASO,IFBAGWIMPPBASO-UHFFFAOYSA-N,"InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2","""AuxInfo=1/0/N:1,14,2,27,13,15,24,23,3,26,12,16,25,22,5,4,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(9,10)(11,12)/rA:27CCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;d22;s23;s20d24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-IFCVMALFYIDNLZ_on_O15399_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_O60391_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCVMALFYIDNLZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL40555,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1,IFCVMALFYIDNLZ,IFCVMALFYIDNLZ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(18)11(8-4-2-1-3-5-8)14(19)17-13(10)16-7-9/h1-7H,(H2,16,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,9,14,7,5,13,11,4,2,8,10,3,12,1/E:(2,3)(4,5)/rA:19OCNCCCCClCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFCXRJYZSGIMQK_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3921666,Cc1c(S(=O)(=O)Cc2ccc(F)c(Cl)c2)sc(NC(=O)c2ccccn2)n1,IFCXRJYZSGIMQK,IFCXRJYZSGIMQK-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S2/c1-10-16(27(24,25)9-11-5-6-13(19)12(18)8-11)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,9,10,25,15,7,2,8,13,11,21,19,3,17,14,12,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCFCClCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s13;s8d13;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-IFDCSWVGBHHTOK_on_O15399_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_O60391_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_Q05586_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_Q12879_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_Q13224_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747270;CHEMBL747271,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.570,6.695,0.125,0.125,2.0,6.695,0.125
-IFDCSWVGBHHTOK_on_Q14957_WT,Low,ChEMBL30,CHEMBL131093,CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1,IFDCSWVGBHHTOK,IFDCSWVGBHHTOK-UHFFFAOYSA-N,"InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3","""AuxInfo=1/0/N:1,22,21,23,8,7,20,24,9,26,25,6,4,3,12,15,18,19,13,16,10,14,11,5,2,17/E:(3,4)(7,8)/rA:26CNCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747271;CHEMBL747270,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.570;  6.820,6.695,0.125,0.125,2.0,6.695,0.125
-IFFZCEPPGYBUQY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3958735,CN1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C,IFFZCEPPGYBUQY,IFFZCEPPGYBUQY-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-18(2)12-23(17(24)22(18)3)16-7-6-13(10-21-16)4-5-14-8-15(19)11-20-9-14/h6-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,10,11,8,7,18,13,19,15,21,9,12,16,6,3,22,17,14,20,2,5,4/E:(1,2)/rA:24CNCONCCCCCCCCNCCClCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-IFLWVSHRWAIVQF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL2114116;CHEMBL2115152,NC(C(=O)O)C1C(C(=O)O)C1c1ccccc1,IFLWVSHRWAIVQF,IFLWVSHRWAIVQF-UHFFFAOYSA-N,"InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717934,PMID:8667369,1996.0,PMID:8667369,1996,0,0,0,1,0,,=,  4.220;  4.360,4.29,0.07,0.07,2.0,4.29,0.07
-IFLWVSHRWAIVQF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL39573,NC(C(=O)O)C1C(C(=O)O)C1c1ccccc1,IFLWVSHRWAIVQF,IFLWVSHRWAIVQF-UHFFFAOYSA-N,"InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL714442,PMID:8667369,1996.0,PMID:8667369,1996,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-IFLWVSHRWAIVQF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL39573,NC(C(=O)O)C1C(C(=O)O)C1c1ccccc1,IFLWVSHRWAIVQF,IFLWVSHRWAIVQF-UHFFFAOYSA-N,"InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715717,PMID:8667369,1996.0,PMID:8667369,1996,0,0,0,1,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-IFMQWJXDDVIDOS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3929361,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(F)C2)c3)cn1,IFMQWJXDDVIDOS,IFMQWJXDDVIDOS-UHFFFAOYSA-N,"InChI=1S/C20H22FN5O/c1-25-11-14(9-23-25)17-8-19(20(22)27)24-18-7-13(4-5-16(17)18)10-26-6-2-3-15(21)12-26/h4-5,7-9,11,15H,2-3,6,10,12H2,1H3,(H2,22,27)","""AuxInfo=1/1/N:1,20,21,15,14,19,25,6,26,17,3,24,16,4,22,13,5,12,7,8,23,9,27,11,2,18,10/rA:27CNCCCCCCNONCCCCCCNCCCCFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s18s22;s12d16;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-IFPNTBROOBJEGB_on_Q14416_WT,Low,ChEMBL30,CHEMBL3883462,Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12,IFPNTBROOBJEGB,IFPNTBROOBJEGB-UHFFFAOYSA-N,"InChI=1S/C16H15ClN4O/c17-15-13(22-10-12-3-1-2-7-18-12)6-8-21-14(9-11-4-5-11)19-20-16(15)21/h1-3,6-8,11H,4-5,9-10H2","""AuxInfo=1/0/N:8,9,7,18,19,12,10,13,16,5,17,6,3,15,2,22,1,11,20,21,14,4/E:(4,5)/rA:22ClCCOCCCCCCNCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s3;d12;s13;s14;s15;s16;s17;s17s18;d15;s20;s2s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-IFTCZJNZSZKTFE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3964956,CN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cc2F)CC1(C)C,IFTCZJNZSZKTFE,IFTCZJNZSZKTFE-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)5-4-13-6-8-15(20)9-7-13/h6-11H,12H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,10,13,18,14,17,19,8,22,12,9,15,20,6,3,23,16,21,7,2,5,4/E:(1,2)(6,7)(8,9)/rA:25CNCONCNCCCCCCCCFCCCCFCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s20;s5;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-IFVWTFDUNUGVFM_on_P14867_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678325,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.699,3.699,0.0,0.0,1.0,3.699,0.0
-IFVWTFDUNUGVFM_on_P18507_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678325;CHEMBL682825;CHEMBL681244;CHEMBL682418;CHEMBL679474;CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.699;  3.745;  3.770;  3.620;  3.377;  3.796,3.668,0.142,0.063,6.0,3.722,0.061
-IFVWTFDUNUGVFM_on_P28472_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682418;CHEMBL681244;CHEMBL679474;CHEMBL681094;CHEMBL682825;CHEMBL678325,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.620;  3.770;  3.377;  3.796;  3.745;  3.699,3.668,0.142,0.063,6.0,3.722,0.061
-IFVWTFDUNUGVFM_on_P31644_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679474,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.377,3.377,0.0,0.0,1.0,3.377,0.0
-IFVWTFDUNUGVFM_on_P34903_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682825,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.745,3.745,0.0,0.0,1.0,3.745,0.0
-IFVWTFDUNUGVFM_on_P47869_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681244,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.770,3.77,0.0,0.0,1.0,3.77,0.0
-IFVWTFDUNUGVFM_on_P48169_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.796,3.7960000000000003,0.0,0.0,1.0,3.7960000000000003,0.0
-IFVWTFDUNUGVFM_on_Q16445_WT,Low,ChEMBL30,CHEMBL290961,O=[Se](O)C1CCNCC1,IFVWTFDUNUGVFM,IFVWTFDUNUGVFM-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/rA:9OSeOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.620,3.62,0.0,0.0,1.0,3.62,0.0
-IFXHTEGDCFOFMO_on_P18505_WT,Low,ChEMBL30,CHEMBL4244940,CC(=O)c1ccc(C(O)C(F)(F)C(=O)c2ncccc2)cc1,IFXHTEGDCFOFMO,IFXHTEGDCFOFMO-UHFFFAOYSA-N,"InChI=1S/C16H13F2NO3/c1-10(20)11-5-7-12(8-6-11)14(21)16(17,18)15(22)13-4-2-3-9-19-13/h2-9,14,21H,1H3","""AuxInfo=1/0/N:1,19,18,20,5,22,6,21,17,2,4,7,15,8,13,10,11,12,16,3,9,14/E:(5,6)(7,8)(17,18)/rA:22CCOCCCCCOCFFCOCNCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s8;s10;s10;s10;d13;s13;d15;s16;d17;s18;s15d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFXHTEGDCFOFMO_on_P47870_WT,Low,ChEMBL30,CHEMBL4244940,CC(=O)c1ccc(C(O)C(F)(F)C(=O)c2ncccc2)cc1,IFXHTEGDCFOFMO,IFXHTEGDCFOFMO-UHFFFAOYSA-N,"InChI=1S/C16H13F2NO3/c1-10(20)11-5-7-12(8-6-11)14(21)16(17,18)15(22)13-4-2-3-9-19-13/h2-9,14,21H,1H3","""AuxInfo=1/0/N:1,19,18,20,5,22,6,21,17,2,4,7,15,8,13,10,11,12,16,3,9,14/E:(5,6)(7,8)(17,18)/rA:22CCOCCCCCOCFFCOCNCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s8;s10;s10;s10;d13;s13;d15;s16;d17;s18;s15d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IFXXUWQBQUWTPR_on_P18507_WT,Low,ChEMBL30,CHEMBL192127,CN1CCN(C(=O)c2cn(-c3c(Cl)cc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1,IFXXUWQBQUWTPR,IFXXUWQBQUWTPR-UHFFFAOYSA-N,"InChI=1S/C21H19Cl3N4O/c1-26-8-10-27(11-9-26)21(29)18-13-28(19-7-6-16(23)12-17(19)24)20(25-18)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3","""AuxInfo=1/0/N:1,21,26,22,25,17,18,3,29,4,28,14,9,20,23,15,12,8,11,19,6,24,16,13,27,2,5,10,7/E:(2,3)(4,5)(8,9)(10,11)/rA:29CNCCNCOCCNCCClCCClCCCCCCCClCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-IFXXUWQBQUWTPR_on_P47869_WT,Low,ChEMBL30,CHEMBL192127,CN1CCN(C(=O)c2cn(-c3c(Cl)cc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1,IFXXUWQBQUWTPR,IFXXUWQBQUWTPR-UHFFFAOYSA-N,"InChI=1S/C21H19Cl3N4O/c1-26-8-10-27(11-9-26)21(29)18-13-28(19-7-6-16(23)12-17(19)24)20(25-18)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3","""AuxInfo=1/0/N:1,21,26,22,25,17,18,3,29,4,28,14,9,20,23,15,12,8,11,19,6,24,16,13,27,2,5,10,7/E:(2,3)(4,5)(8,9)(10,11)/rA:29CNCCNCOCCNCCClCCClCCCCCCCClCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-IFXXUWQBQUWTPR_on_P47870_WT,Low,ChEMBL30,CHEMBL192127,CN1CCN(C(=O)c2cn(-c3c(Cl)cc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1,IFXXUWQBQUWTPR,IFXXUWQBQUWTPR-UHFFFAOYSA-N,"InChI=1S/C21H19Cl3N4O/c1-26-8-10-27(11-9-26)21(29)18-13-28(19-7-6-16(23)12-17(19)24)20(25-18)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3","""AuxInfo=1/0/N:1,21,26,22,25,17,18,3,29,4,28,14,9,20,23,15,12,8,11,19,6,24,16,13,27,2,5,10,7/E:(2,3)(4,5)(8,9)(10,11)/rA:29CNCCNCOCCNCCClCCClCCCCCCCClCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-IGCSLIVTBUKKRS_on_O00591_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_O14764_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P14867_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P18505_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P18507_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P28472_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P31644_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P34903_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P47869_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P47870_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P48169_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_P78334_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_Q16445_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGCSLIVTBUKKRS_on_Q99928_WT,Low,ChEMBL30,CHEMBL359971,COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1,IGCSLIVTBUKKRS,IGCSLIVTBUKKRS-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-13-6-4-3-5-10(13)14-16(24)26(25-17(14)28-2)15-11(19)7-9(8-12(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,24,26,27,25,28,12,18,13,4,10,19,3,5,9,6,22,14,11,20,15,16,17,7,21,8,2,23/E:(7,8)(11,12)(19,20)(21,22,23)/rA:28COCCCCNNCCClCCCFFFCCClNCSCCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s5d21;s22;s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IGEOMAUWSLBELS_on_Q14416_WT,High,ChEMBL30,CHEMBL3890112,NC1(C(=O)O)C(OCc2cc(F)c(Cl)cc2)C(O)C2C(C(=O)O)C21,IGEOMAUWSLBELS,IGEOMAUWSLBELS-UHFFFAOYSA-N,"InChI=1S/C15H15ClFNO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:16,15,10,8,9,13,11,19,20,24,17,6,21,3,2,14,12,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCFCClCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-IGEOMAUWSLBELS_on_Q14832_WT,High,ChEMBL30,CHEMBL3890112,NC1(C(=O)O)C(OCc2cc(F)c(Cl)cc2)C(O)C2C(C(=O)O)C21,IGEOMAUWSLBELS,IGEOMAUWSLBELS-UHFFFAOYSA-N,"InChI=1S/C15H15ClFNO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:16,15,10,8,9,13,11,19,20,24,17,6,21,3,2,14,12,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCFCClCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-IGNHQKFEFUUOHE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628107,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cc2c(cccc2)o1,IGNHQKFEFUUOHE,IGNHQKFEFUUOHE-UHFFFAOYSA-N,"InChI=1S/C23H13ClN2O4/c24-17-12-14(25-21(27)20-11-13-5-1-4-8-19(13)30-20)9-10-18(17)26-22(28)15-6-2-3-7-16(15)23(26)29/h1-12H,(H,25,27)","""AuxInfo=1/1/N:28,14,15,27,29,13,16,26,5,6,23,21,24,4,12,11,19,7,25,22,2,17,9,20,3,8,1,18,10,30/E:(2,3)(6,7)(15,16)(22,23)(28,29)/rA:30OCNCCCCNCOCCCCCCCOCClCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;d26;s27;s24d28;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-IGQHPYKYEOLMEY_on_Q14833_WT,High,ChEMBL30,CHEMBL4059644,ON=c1cc(-c2ncc3ccncc3c2)oc2c1cccc2,IGQHPYKYEOLMEY,IGQHPYKYEOLMEY-UHFFFAOYSA-N,"InChI=1S/C17H11N3O2/c21-20-14-8-17(22-16-4-2-1-3-13(14)16)15-7-12-9-18-6-5-11(12)10-19-15/h1-10,21H","""AuxInfo=1/0/N:20,21,19,22,10,11,15,4,13,8,9,14,18,3,6,17,5,12,7,2,1,16/rA:22ONCCCCNCCCCNCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-IGROZJFLUONIRU_on_P14867_WT,Low,ChEMBL30,CHEMBL1829017,C=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1,IGROZJFLUONIRU,IGROZJFLUONIRU-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3","""AuxInfo=1/0/N:1,20,16,2,19,15,3,18,5,11,6,12,22,21,4,10,17,9,7,13,8,14/rA:22CCCCCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s14;s15;s13;s17;s18;d19;s10d17;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-IGROZJFLUONIRU_on_P47870_WT,Low,ChEMBL30,CHEMBL1829017,C=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1,IGROZJFLUONIRU,IGROZJFLUONIRU-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3","""AuxInfo=1/0/N:1,20,16,2,19,15,3,18,5,11,6,12,22,21,4,10,17,9,7,13,8,14/rA:22CCCCCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;s11;d12;s13;s14;s15;s13;s17;s18;d19;s10d17;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-IGTNDWINIZAURX_on_P18507_WT,Low,ChEMBL30,CHEMBL208863,Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F,IGTNDWINIZAURX,IGTNDWINIZAURX-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-17(26-10-28-31)9-33-21-18(12-4-2-3-5-13(12)23)16-8-27-29-20(32(16)30-21)19-14(24)6-11(22)7-15(19)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,19,24,7,4,17,27,32,14,20,25,6,26,13,12,9,18,33,15,21,5,23,3,22,10,2,11,8/E:(6,7)(14,15)(24,25)/rA:33CNNCNCCOCNNCCCFCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-IGTNDWINIZAURX_on_P28472_WT,Low,ChEMBL30,CHEMBL208863,Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F,IGTNDWINIZAURX,IGTNDWINIZAURX-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-17(26-10-28-31)9-33-21-18(12-4-2-3-5-13(12)23)16-8-27-29-20(32(16)30-21)19-14(24)6-11(22)7-15(19)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,19,24,7,4,17,27,32,14,20,25,6,26,13,12,9,18,33,15,21,5,23,3,22,10,2,11,8/E:(6,7)(14,15)(24,25)/rA:33CNNCNCCOCNNCCCFCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-IGTNDWINIZAURX_on_P34903_WT,Low,ChEMBL30,CHEMBL208863,Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F,IGTNDWINIZAURX,IGTNDWINIZAURX-UHFFFAOYSA-N,"InChI=1S/C21H13F4N7O/c1-31-17(26-10-28-31)9-33-21-18(12-4-2-3-5-13(12)23)16-8-27-29-20(32(16)30-21)19-14(24)6-11(22)7-15(19)25/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,29,30,28,31,16,19,24,7,4,17,27,32,14,20,25,6,26,13,12,9,18,33,15,21,5,23,3,22,10,2,11,8/E:(6,7)(14,15)(24,25)/rA:33CNNCNCCOCNNCCCFCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s20;d12;s22;d23;s11s24;s9d25;s26;d27;s28;d29;s30;s27d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-IGUGPXBOXUANHO_on_P41594_WT,High,ChEMBL30,CHEMBL2069398,Cc1cc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1,IGUGPXBOXUANHO,IGUGPXBOXUANHO-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,19,15,20,3,10,21,2,4,9,17,14,11,5,8,18,22,6,13,12,7/E:(5,6)(7,8)/rA:25CCCCCNOCCCCONCCCCFCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9s13;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072733;CHEMBL2072730;CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,0;1;1,0,1;0;0,0,,=,  6.640;  7.900;  8.290,7.61,0.7040000000000001,0.498,3.0,7.9,0.39
-IGVUOCSFSJKTDF_on_P18507_WT,Low,ChEMBL30,CHEMBL576711,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,IGVUOCSFSJKTDF,IGVUOCSFSJKTDF-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-2-23-17(22)16-14-7-11-8-18-9-19-15(11)12-5-3-4-6-13(12)21(14)10-20-16/h3-6,8-10H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,17,8,14,12,22,9,15,16,7,10,6,4,13,11,23,21,5,3/rA:23CCOCOCCCCCNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-IGVUOCSFSJKTDF_on_P28472_WT,Low,ChEMBL30,CHEMBL576711,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,IGVUOCSFSJKTDF,IGVUOCSFSJKTDF-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-2-23-17(22)16-14-7-11-8-18-9-19-15(11)12-5-3-4-6-13(12)21(14)10-20-16/h3-6,8-10H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,17,8,14,12,22,9,15,16,7,10,6,4,13,11,23,21,5,3/rA:23CCOCOCCCCCNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-IGVUOCSFSJKTDF_on_P31644_WT,Low,ChEMBL30,CHEMBL576711,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,IGVUOCSFSJKTDF,IGVUOCSFSJKTDF-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-2-23-17(22)16-14-7-11-8-18-9-19-15(11)12-5-3-4-6-13(12)21(14)10-20-16/h3-6,8-10H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,17,8,14,12,22,9,15,16,7,10,6,4,13,11,23,21,5,3/rA:23CCOCOCCCCCNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-IGXMXTUDKDNXBK_on_P31644_WT,High,ChEMBL30,CHEMBL3681621,O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,IGXMXTUDKDNXBK,IGXMXTUDKDNXBK-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O4/c22-17-4-1-14(2-5-17)20-16(13-29-25-20)12-28-19-6-3-15(11-23-19)21(26)24-18-7-9-27-10-8-18/h1-6,11,13,18H,7-10,12H2,(H,24,26)","""AuxInfo=1/1/N:22,27,11,23,26,12,5,9,6,8,29,15,17,21,10,16,24,4,13,20,2,25,28,3,19,1,7,14,18/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCOCCCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-IHAAIBPWHHEARW_on_P18507_WT,Low,ChEMBL30,CHEMBL565344,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(OC)c3)-n2cn1,IHAAIBPWHHEARW,IHAAIBPWHHEARW-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-20-9-18-19-15(20)11-6-10(23-2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,23,10,18,14,15,7,6,13,4,24,11,12,9,22,5,19,3/rA:24CCOCOCCCNCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-IHAAIBPWHHEARW_on_P28472_WT,Low,ChEMBL30,CHEMBL565344,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(OC)c3)-n2cn1,IHAAIBPWHHEARW,IHAAIBPWHHEARW-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-20-9-18-19-15(20)11-6-10(23-2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,23,10,18,14,15,7,6,13,4,24,11,12,9,22,5,19,3/rA:24CCOCOCCCNCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-IHAAIBPWHHEARW_on_P31644_WT,Low,ChEMBL30,CHEMBL565344,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(OC)c3)-n2cn1,IHAAIBPWHHEARW,IHAAIBPWHHEARW-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-20-9-18-19-15(20)11-6-10(23-2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,23,10,18,14,15,7,6,13,4,24,11,12,9,22,5,19,3/rA:24CCOCOCCCNCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-IHBDJLQRENXTKF_on_P31644_WT,High,ChEMBL30,CHEMBL3681508;CHEMBL3681509,CCC(CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,IHBDJLQRENXTKF,IHBDJLQRENXTKF-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-3-17(12-25)23-21(26)16-9-10-19(22-11-16)27-13-18-14(2)28-24-20(18)15-7-5-4-6-8-15/h4-11,17,25H,3,12-13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,17,2,24,23,25,22,26,10,11,28,4,14,16,21,9,3,15,12,20,7,27,6,19,5,8,13,18/E:(5,6)(7,8)/rA:28CCCCONCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;s4;s3;s6;d7;s7;d9;s10;d11;s12;s13;s14;d15;s16;s16;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.150;  8.640,8.895,0.255,0.255,2.0,8.895,0.255
-IHBSSYLSJQTOND_on_P41594_WT,Low,ChEMBL30,CHEMBL374135,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CCCCC3)cc2)c1=O,IHBSSYLSJQTOND,IHBSSYLSJQTOND-UHFFFAOYSA-N,"InChI=1S/C23H24N4OS/c1-26(2)18-12-13-24-22-19(18)20-21(29-22)23(28)27(14-25-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,24,21,25,18,26,17,27,9,8,14,20,19,16,4,5,12,11,6,28,7,13,2,15,29,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29CNCCCCNCCSCCNCNCCCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s11s15;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IHBSSYLSJQTOND_on_Q13255_WT,Low,ChEMBL30,CHEMBL374135,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CCCCC3)cc2)c1=O,IHBSSYLSJQTOND,IHBSSYLSJQTOND-UHFFFAOYSA-N,"InChI=1S/C23H24N4OS/c1-26(2)18-12-13-24-22-19(18)20-21(29-22)23(28)27(14-25-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,24,21,25,18,26,17,27,9,8,14,20,19,16,4,5,12,11,6,28,7,13,2,15,29,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29CNCCCCNCCSCCNCNCCCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s11s15;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IHBSVVZENGBQDY_on_O15399_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.000;  5.770,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_O60391_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.770;  6.000,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.000;  5.770,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_Q05586_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.770;  6.000,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_Q12879_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.770;  6.000,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_Q13224_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.770;  6.000,5.885,0.115,0.115,2.0,5.885,0.115
-IHBSVVZENGBQDY_on_Q14957_WT,Low,ChEMBL30,CHEMBL334822,CN1CCC23CCCCC2C1Cc1c3cccc1,IHBSVVZENGBQDY,IHBSVVZENGBQDY-UHFFFAOYSA-N,"InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3","""AuxInfo=1/0/N:1,17,16,8,7,18,15,9,6,4,3,12,13,14,10,11,5,2/rA:18CNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.000;  5.770,5.885,0.115,0.115,2.0,5.885,0.115
-IHDXFSAXAJRBOG_on_P14867_WT,Low,ChEMBL30,CHEMBL204004,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1,IHDXFSAXAJRBOG,IHDXFSAXAJRBOG-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,27,26,12,19,9,11,17,13,21,14,10,5,7,2,18,22,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-IHDXFSAXAJRBOG_on_P18507_WT,Low,ChEMBL30,CHEMBL204004,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1,IHDXFSAXAJRBOG,IHDXFSAXAJRBOG-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,27,26,12,19,9,11,17,13,21,14,10,5,7,2,18,22,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.800;  8.710;  9.380,8.963,0.297,0.21,3.0,8.8,0.09
-IHDXFSAXAJRBOG_on_P28472_WT,Low,ChEMBL30,CHEMBL204004,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1,IHDXFSAXAJRBOG,IHDXFSAXAJRBOG-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,27,26,12,19,9,11,17,13,21,14,10,5,7,2,18,22,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863774;CHEMBL862572;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.710;  9.380;  8.800,8.963,0.297,0.21,3.0,8.8,0.09
-IHDXFSAXAJRBOG_on_P31644_WT,Low,ChEMBL30,CHEMBL204004,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1,IHDXFSAXAJRBOG,IHDXFSAXAJRBOG-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,27,26,12,19,9,11,17,13,21,14,10,5,7,2,18,22,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.380,9.38,0.0,0.0,1.0,9.38,0.0
-IHDXFSAXAJRBOG_on_P34903_WT,Low,ChEMBL30,CHEMBL204004,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1,IHDXFSAXAJRBOG,IHDXFSAXAJRBOG-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,27,26,12,19,9,11,17,13,21,14,10,5,7,2,18,22,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-IHFBPDAQLQOCBX_on_O00591_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_O14764_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P14867_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P18505_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P18507_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P28472_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P31644_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P34903_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P47869_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P47870_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P48169_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_P78334_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_Q16445_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHFBPDAQLQOCBX_on_Q99928_WT,Low,ChEMBL30,CHEMBL293776,COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O,IHFBPDAQLQOCBX,IHFBPDAQLQOCBX-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3","""AuxInfo=1/0/N:1,14,19,15,18,20,8,13,16,21,9,12,7,6,4,3,17,22,10,5,2,11/E:(2,3)(4,5)/rA:22COCCOCCCCOOCCCCCOCCCCO/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s6s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHGPGLBRYYVGAG_on_O15399_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_O60391_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHGPGLBRYYVGAG_on_Q14957_WT,Low,ChEMBL30,CHEMBL1195081,CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2,IHGPGLBRYYVGAG,IHGPGLBRYYVGAG-UHFFFAOYSA-N,"InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,3,8,18,19,17,20,5,6,21,4,15,14,9,11,2,7,16,12,13,10/E:(1,2)/rA:21CCCCCCCCCNCNNCCICCCCC/rB:s1;s2;s2;s4;s5;s2s6;s7;s7;s9;w?10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IHILJRZZZCWCMJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289174,CC(C)(C)c1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1,IHILJRZZZCWCMJ,IHILJRZZZCWCMJ-UHFFFAOYSA-N,"InChI=1S/C31H37NO3/c1-31(2,3)26-13-11-24(12-14-26)29(33)10-7-18-32-19-17-25-20-27(15-16-28(25)30(34)21-32)35-22-23-8-5-4-6-9-23/h4-6,8-9,11-16,20,30,34H,7,10,17-19,21-22H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,28,12,25,29,11,7,34,6,35,20,19,16,13,15,30,33,23,24,8,17,5,21,18,9,31,2,14,10,32,22/E:(1,2,3)(5,6)(8,9)(11,12)(13,14)/rA:35CCCCCCCCCOCCCNCCCCCCCOCCCCCCCCCOCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;s18;s31;s14s31;s8;s5d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-IHILJRZZZCWCMJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289174,CC(C)(C)c1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1,IHILJRZZZCWCMJ,IHILJRZZZCWCMJ-UHFFFAOYSA-N,"InChI=1S/C31H37NO3/c1-31(2,3)26-13-11-24(12-14-26)29(33)10-7-18-32-19-17-25-20-27(15-16-28(25)30(34)21-32)35-22-23-8-5-4-6-9-23/h4-6,8-9,11-16,20,30,34H,7,10,17-19,21-22H2,1-3H3","""AuxInfo=1/0/N:1,3,4,27,26,28,12,25,29,11,7,34,6,35,20,19,16,13,15,30,33,23,24,8,17,5,21,18,9,31,2,14,10,32,22/E:(1,2,3)(5,6)(8,9)(11,12)(13,14)/rA:35CCCCCCCCCOCCCNCCCCCCCOCCCCCCCCCOCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;s18;s31;s14s31;s8;s5d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-IHNZWKAGAISFBH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937981,CC(C)(NC(=O)c1ccc(C#Cc2ccnc(Cl)c2)cn1)C(F)(F)F,IHNZWKAGAISFBH,IHNZWKAGAISFBH-UHFFFAOYSA-N,"InChI=1S/C17H13ClF3N3O/c1-16(2,17(19,20)21)24-15(25)13-6-5-12(10-23-13)4-3-11-7-8-22-14(18)9-11/h5-10H,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,12,11,9,8,14,15,19,20,13,10,7,17,5,2,22,18,23,24,25,16,21,4,6/E:(1,2)(19,20,21)/rA:25CCCNCOCCCCCCCCCNCClCCNCFFF/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s2;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888361;CHEMBL3888360,PATENT:US9328070B2,2016.0,PATENT:US9328070B2,2016,0,0;1,0,1;0,0,,=,  7.240;  7.430,7.335,0.095,0.095,2.0,7.335,0.095
-IHQRXKJHRXSHBS_on_Q14833_WT,High,ChEMBL30,CHEMBL3809402,Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1,IHQRXKJHRXSHBS,IHQRXKJHRXSHBS-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S2/c1-10-16(27(24,25)9-11-5-6-12(18)8-13(11)19)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,9,10,25,13,7,2,8,11,14,21,19,3,17,12,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCClCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.380;  5.380,5.38,0.0,0.0,2.0,5.38,0.0
-IHRUOBGUAASDAB_on_P41594_WT,High,ChEMBL30,CHEMBL3633977,CC(=O)N1c2cc(COc3ccccc3)nn2CCC1C,IHRUOBGUAASDAB,IHRUOBGUAASDAB-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-12-8-9-18-16(19(12)13(2)20)10-14(17-18)11-21-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3","""AuxInfo=1/0/N:21,1,13,12,14,11,15,19,18,6,8,20,2,7,10,5,16,17,4,3,9/E:(4,5)(6,7)/rA:21CCONCCCCOCCCCCCNNCCCC/rB:s1;d2;s2;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;d7;s5s16;s17;s18;s4s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-IHVKGWYIKGRPEY_on_O00222_WT,Low,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IHVKGWYIKGRPEY_on_P41594_WT,Low,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IHVKGWYIKGRPEY_on_Q13255_WT,Low,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  3.876,3.8760000000000003,0.0,0.0,1.0,3.8760000000000003,0.0
-IHVKGWYIKGRPEY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-IHVKGWYIKGRPEY_on_Q14832_WT,Low,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IHVKGWYIKGRPEY_on_Q14833_WT,Low,ChEMBL30,CHEMBL61281,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1,IHVKGWYIKGRPEY,IHVKGWYIKGRPEY-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,17,20,22,21,14,6,12,23,13,16,15,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IHWVNKFFPAUIBB_on_P14867_WT,Low,ChEMBL30,CHEMBL3138292,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(O)cc5)CCC4(C)C3CCC12C,IHWVNKFFPAUIBB,IHWVNKFFPAUIBB-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(31)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,31-32H,6,9-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,3,21,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHWVNKFFPAUIBB_on_P18507_WT,Low,ChEMBL30,CHEMBL3138292,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(O)cc5)CCC4(C)C3CCC12C,IHWVNKFFPAUIBB,IHWVNKFFPAUIBB-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(31)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,31-32H,6,9-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,3,21,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IHWVNKFFPAUIBB_on_P47870_WT,Low,ChEMBL30,CHEMBL3138292,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(O)cc5)CCC4(C)C3CCC12C,IHWVNKFFPAUIBB,IHWVNKFFPAUIBB-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(31)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,31-32H,6,9-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,18,23,10,19,22,9,5,6,16,29,30,15,25,24,12,2,17,11,20,8,4,7,28,26,31,13,3,21,14/E:(4,5)(7,8)/rA:32CCOCCCCCCCCCCOCCCCCCOCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;d19;s20;s20;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IICIPIWUKKDUKN_on_P41594_WT,High,ChEMBL30,CHEMBL2431416,CCOc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1,IICIPIWUKKDUKN,IICIPIWUKKDUKN-UHFFFAOYSA-N,"InChI=1S/C27H28N6O2/c1-2-35-23-11-9-21(10-12-23)24-19-33(26(30-24)22-7-4-3-5-8-22)20-25(34)31-15-17-32(18-16-31)27-28-13-6-14-29-27/h3-14,19H,2,15-18,20H2,1H3","""AuxInfo=1/0/N:1,2,30,29,31,21,28,32,6,34,5,35,20,22,15,25,16,24,9,11,7,27,4,8,12,26,18,19,23,33,14,17,10,13,3/E:(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(28,29)/rA:35CCOCCCCCCNCCONCCNCNCCCNCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s27d31;s8d26;s7;s4d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-IIDOALWZHDFUQF_on_O00591_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_O14764_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P14867_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P18505_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P18507_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P28472_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P31644_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P34903_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P47869_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P47870_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P48169_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_P78334_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_Q16445_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIDOALWZHDFUQF_on_Q99928_WT,Low,ChEMBL30,CHEMBL363671,C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,IIDOALWZHDFUQF,IIDOALWZHDFUQF-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2F3N3S/c1-3-7-11(19)21(20-12(7)22-2)10-8(14)4-6(5-9(10)15)13(16,17)18/h1,4-5H,19H2,2H3","""AuxInfo=1/0/N:1,22,2,10,16,11,3,8,17,7,4,20,12,9,18,13,14,15,5,19,6,21/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCNNCCClCCCFFFCCClNCSC/rB:t1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-IIEKRGYJDRVDEJ_on_P18507_WT,Low,ChEMBL30,CHEMBL444016,CCOC(=O)c1cn(-c2cc(Cl)c(Cl)cc2)c(-c2ccc(Cl)cc2)n1,IIEKRGYJDRVDEJ,IIEKRGYJDRVDEJ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,16,15,10,7,18,21,9,13,11,6,17,4,22,14,12,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCCClCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-IIEKRGYJDRVDEJ_on_P47869_WT,Low,ChEMBL30,CHEMBL444016,CCOC(=O)c1cn(-c2cc(Cl)c(Cl)cc2)c(-c2ccc(Cl)cc2)n1,IIEKRGYJDRVDEJ,IIEKRGYJDRVDEJ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,16,15,10,7,18,21,9,13,11,6,17,4,22,14,12,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCCClCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-IIEKRGYJDRVDEJ_on_P47870_WT,Low,ChEMBL30,CHEMBL444016,CCOC(=O)c1cn(-c2cc(Cl)c(Cl)cc2)c(-c2ccc(Cl)cc2)n1,IIEKRGYJDRVDEJ,IIEKRGYJDRVDEJ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,16,15,10,7,18,21,9,13,11,6,17,4,22,14,12,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCCClCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-IIEQMDVLVGLCGV_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647581,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(OC)c1,IIEQMDVLVGLCGV,IIEQMDVLVGLCGV-UHFFFAOYSA-N,"InChI=1S/C23H23FN4O3S/c1-5-32(29,30)16-7-8-17(21(11-16)31-4)18-10-15(6-9-20(18)24)19-12-26-27-23-22(19)25-13-28(23)14(2)3/h6-14H,5H2,1-4H3","""AuxInfo=1/0/N:1,23,24,31,2,25,7,8,26,11,32,14,20,22,12,6,9,10,13,27,29,18,17,28,19,15,16,21,4,5,30,3/E:(2,3)(29,30)/CRV:32.6/rA:32CCSOOCCCCCCCCCNNCCNCNCCCCCCFCOCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s29;s30;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-IIFSDTDQZYRQEH_on_P31644_WT,High,ChEMBL30,CHEMBL3681450,O=C(c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1)N1CCS(=O)(=O)CC1,IIFSDTDQZYRQEH,IIFSDTDQZYRQEH-UHFFFAOYSA-N,"InChI=1S/C21H17F4N3O5S/c22-15-4-1-13(2-5-15)18-16(19(33-27-18)21(23,24)25)12-32-17-6-3-14(11-26-17)20(29)28-7-9-34(30,31)10-8-28/h1-6,11H,7-10,12H2","""AuxInfo=1/0/N:19,24,4,20,23,5,28,34,29,33,26,8,18,3,21,9,6,17,10,2,11,22,12,13,14,25,16,27,1,31,32,7,15,30/E:(1,2)(4,5)(7,8)(9,10)(23,24,25)(30,31)/CRV:34.6/rA:34OCCCCCOCCCCFFFONCCCCCFCCNCNCCSOOCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s11;s11;s10;s15;s9d16;s17;d18;s19;d20;s21;s21;s18d23;s6;s3d25;s2;s27;s28;s29;d30;d30;s30;s27s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-IIGVSHNKYGOHNO_on_O15399_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_O60391_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_Q05586_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_Q12879_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_Q13224_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIGVSHNKYGOHNO_on_Q14957_WT,Low,ChEMBL30,CHEMBL1189980,CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1,IIGVSHNKYGOHNO,IIGVSHNKYGOHNO-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-12(9-11)22-2)16(18)19-15-10-13(23(3)21)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,19,20,23,14,7,3,15,21,13,10,22,11,12,8,18,2,16/rA:23CSCCCCCNCCNNCCCS+CO-CCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;s16;d15;s19;s13d20;s21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-IIMVLDPGRVITQN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL593168;46227787,N#Cc1c(-c2cc(Cl)c(NC3CC3)cc2)ccn2c(CC(F)(F)F)cnc12,IIMVLDPGRVITQN,IIMVLDPGRVITQN-UHFFFAOYSA-N,"InChI=1S/C19H14ClF3N4/c20-16-7-11(1-4-17(16)26-12-2-3-12)14-5-6-27-13(8-19(21,22)23)10-25-18(27)15(14)9-24/h1,4-7,10,12,26H,2-3,8H2","""AuxInfo=1/0/N:15,12,13,14,16,17,6,20,2,25,5,11,19,4,3,7,9,27,21,8,22,23,24,1,26,10,18/E:(2,3)(21,22,23)/rA:27NCCCCCCClCNCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;s11s12;s9;s5d14;s4;d16;s17;s18;s19;s20;s21;s21;s21;d19;s25;s3s18d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687;PubChemAID:451968,PMID:19932615,2010.0,PMID:19932615;PubChemAID:451968,2010,0,1;0,0,0,0;1,,=,  6.850;  6.850,6.85,0.0,0.0,2.0,6.85,0.0
-IIOHXNRYFRSQCK_on_O00591_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_O14764_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P14867_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P18505_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P18507_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P28472_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P31644_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P34903_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P47869_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P47870_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P48169_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_P78334_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_Q16445_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIOHXNRYFRSQCK_on_Q99928_WT,Low,ChEMBL30,CHEMBL344344,O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12,IIOHXNRYFRSQCK,IIOHXNRYFRSQCK-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCClCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-IIRGOGGQTCHRKN_on_P41594_WT,Low,ChEMBL30,CHEMBL224084,CCc1cc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)ccc1,IIRGOGGQTCHRKN,IIRGOGGQTCHRKN-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,16,17,2,24,25,23,18,19,4,7,3,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)/rA:25CCCCCNCNCCSCCCNCCCCNCOCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIRGOGGQTCHRKN_on_Q13255_WT,High,ChEMBL30,CHEMBL224084,CCc1cc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)ccc1,IIRGOGGQTCHRKN,IIRGOGGQTCHRKN-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,16,17,2,24,25,23,18,19,4,7,3,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)/rA:25CCCCCNCNCCSCCCNCCCCNCOCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-IISWKTHOSRQNNP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71462056;CHEMBL2153793,Cc1c[nH]c(NC(=O)c2c3[nH]cc(-c4ccccn4)c3cc(C)n2)n1,IISWKTHOSRQNNP,IISWKTHOSRQNNP-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-10-7-12-13(14-5-3-4-6-19-14)9-20-15(12)16(22-10)17(25)24-18-21-8-11(2)23-18/h3-9,20H,1-2H3,(H2,21,23,24,25)","""AuxInfo=1/1/N:23,1,16,17,15,18,21,3,12,22,2,20,13,14,10,9,7,5,19,11,4,24,25,6,8/rA:25CCCNCNCOCCNCCCCCCCNCCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s10s13;d20;s21;s22;s9d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:690762;CHEMBL2156622,PMID:22963764,2012.0,PubChemAID:690762;PMID:22963764,2013;2012,0;1,0,0,0,1;0,,=,  6.620;  6.620,6.62,0.0,0.0,2.0,6.62,0.0
-IITQTCDHHATOGB_on_P41594_WT,Low,ChEMBL30,CHEMBL1784048,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,IITQTCDHHATOGB,IITQTCDHHATOGB-UHFFFAOYSA-N,"InChI=1S/C19H13N5O3S/c1-2-5-20-17-14-15-16(28-18(14)22-9-21-17)19(25)24(10-23-15)11-3-4-12-13(8-11)27-7-6-26-12/h1,3-4,8-10H,5-7H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,3,22,23,26,9,15,17,20,25,6,13,12,5,7,27,4,10,8,14,16,28,21,24,11/rA:28CCCNCCCNCNSCCNCNCCCCOCCOCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s22;s23;s20s24;s17d25;s12s16;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-IITQTCDHHATOGB_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784048;54583942,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,IITQTCDHHATOGB,IITQTCDHHATOGB-UHFFFAOYSA-N,"InChI=1S/C19H13N5O3S/c1-2-5-20-17-14-15-16(28-18(14)22-9-21-17)19(25)24(10-23-15)11-3-4-12-13(8-11)27-7-6-26-12/h1,3-4,8-10H,5-7H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,3,22,23,26,9,15,17,20,25,6,13,12,5,7,27,4,10,8,14,16,28,21,24,11/rA:28CCCNCCCNCNSCCNCNCCCCOCCOCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s22;s23;s20s24;s17d25;s12s16;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  6.970;  6.975,6.973,0.002,0.002,2.0,6.973,0.002
-IIVUJUOJERNGQX_on_O00591_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_O14764_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P14867_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P18505_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P18507_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P28472_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P31644_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P34903_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P47869_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P47870_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P48169_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_P78334_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_Q16445_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIVUJUOJERNGQX_on_Q99928_WT,Low,ChEMBL30,CHEMBL247316,O=C(O)c1cncnc1,IIVUJUOJERNGQX,IIVUJUOJERNGQX-UHFFFAOYSA-N,"InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IIWHPWPVODSNOY_on_Q14416_WT,High,ChEMBL30,CHEMBL4060306,Clc1c(NC2CC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1,IIWHPWPVODSNOY,IIWHPWPVODSNOY-UHFFFAOYSA-N,"InChI=1S/C19H18Cl2N4/c20-15-10-12(3-6-16(15)22-13-4-5-13)14-7-8-25-17(9-11-1-2-11)23-24-19(25)18(14)21/h3,6-8,10-11,13,22H,1-2,4-5,9H2","""AuxInfo=1/0/N:20,21,9,6,7,8,24,23,18,25,19,10,5,11,2,3,17,12,14,1,13,4,16,15,22/E:(1,2)(4,5)/rA:25ClCCNCCCCCCCCClCNNCCCCCNCCC/rB:s1;d2;s3;s4;s5;s5s6;s3;d8;s9;s10;d11;s12;s12;d14;s15;d16;s17;s18;s19;s19s20;s14s17;s22;s11d23;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040510;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,1;0;0,0;1;0,0,,=,  8.210;  8.170;  7.530,7.97,0.312,0.22,3.0,8.17,0.04
-IIZLLNQHLCCDAL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954377,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)(F)CC2)c3)cn1,IIZLLNQHLCCDAL,IIZLLNQHLCCDAL-UHFFFAOYSA-N,"InChI=1S/C20H21F2N5O/c1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27/h2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,14,20,24,19,25,26,6,27,17,3,16,4,13,5,12,7,8,21,22,23,9,28,11,2,18,10/E:(4,5)(6,7)(21,22)/rA:28CNCCCCCCNONCCCCCCNCCCFFCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s21;s21;s18s24;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-IJACCFICGPGZPM_on_Q13255_WT,High,ChEMBL30,CHEMBL1951685,COCCNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O,IJACCFICGPGZPM,IJACCFICGPGZPM-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3S/c1-25-12-10-21-16-7-9-22-19-17(16)15-8-11-23(20(24)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-9,11H,10,12H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,23,19,25,20,24,11,15,10,4,16,3,18,21,14,6,7,13,8,26,5,9,17,27,2,22,12/E:(3,4)(5,6)/rA:27COCCNCCCNCCSCCCCNCCCCOCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-IJEIUAOJSNXXSC_on_P14867_WT,Medium,ChEMBL30,CHEMBL145910,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)ccc(F)c3)cn12,IJEIUAOJSNXXSC,IJEIUAOJSNXXSC-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-18(24)16(10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,24,23,16,15,27,8,6,28,9,25,20,5,21,4,19,17,2,26,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCCFCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s25;s20d25;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-IJEIUAOJSNXXSC_on_P47869_WT,Medium,ChEMBL30,CHEMBL145910,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)ccc(F)c3)cn12,IJEIUAOJSNXXSC,IJEIUAOJSNXXSC-UHFFFAOYSA-N,"InChI=1S/C22H18F2N4O/c23-15-6-7-18(24)16(10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)","""AuxInfo=1/1/N:12,11,13,10,14,24,23,16,15,27,8,6,28,9,25,20,5,21,4,19,17,2,26,22,18,3,7,29,1/E:(2,3)(4,5)/rA:29OCNCCCNCCCCCCCCCCNCCCFCCCFCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s25;s20d25;d19;s2s17s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-IJOMEPIATFVGEJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681476,COC(=O)c1ccc(NCc2c(C)onc2-c2ccc(F)cc2)nc1,IJOMEPIATFVGEJ,IJOMEPIATFVGEJ-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O3/c1-11-15(17(22-25-11)12-3-6-14(19)7-4-12)10-21-16-8-5-13(9-20-16)18(23)24-2/h3-9H,10H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:13,1,18,23,6,19,22,7,25,10,12,17,5,20,11,8,16,3,21,24,9,15,4,2,14/E:(3,4)(6,7)/rA:25COCOCCCCNCCCCONCCCCCFCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s20;s17d22;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-IJOUWDDLQVRLMZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3977770,CN1C(=O)C(C)(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,IJOUWDDLQVRLMZ,IJOUWDDLQVRLMZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O/c1-20(2)15-21(3,19(24)23(20)4)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3","""AuxInfo=1/0/N:23,24,6,1,16,15,17,14,18,12,11,9,8,19,21,13,10,7,3,22,5,20,2,4/E:(1,2)(6,7)(8,9)/rA:24CNCOCCCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;s5;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-IJPARVQEYUOEFX_on_P41594_WT,High,ChEMBL30,CHEMBL3671833,Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1,IJPARVQEYUOEFX,IJPARVQEYUOEFX-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:1,4,20,12,3,19,21,5,13,11,25,26,24,27,2,18,22,6,16,7,14,10,23,28,15,9,17,8/rA:28CCCCCCCONCCCCCNCOCCCCCClCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s14;s10s25;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706070;CHEMBL3706069,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,0;1,0,0,1;0,0,,=,  7.570;  8.430,8.0,0.43,0.43,2.0,8.0,0.43
-IJSVOCRHXGMKSQ_on_Q14416_WT,High,ChEMBL30,CHEMBL2029818,Cc1c(Oc2c(Cl)cc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cccn1,IJSVOCRHXGMKSQ,IJSVOCRHXGMKSQ-UHFFFAOYSA-N,"InChI=1S/C22H18ClN3O2/c1-14-20(3-2-9-25-14)28-21-7-6-16(11-19(21)23)17-8-10-26(13-15-4-5-15)22(27)18(17)12-24/h2-3,6-11,15H,4-5,13H2,1H3","""AuxInfo=1/0/N:1,26,25,19,20,23,24,22,27,21,8,12,17,2,18,9,10,11,6,3,5,14,7,13,28,16,15,4/E:(4,5)/rA:28CCCOCCClCCCCCNCONCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;d10;s11;t12;s11;d14;s14;s16;s17;s18;s18s19;s16;s10d21;s9;s5d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-IJVLKBYSNPSSMM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL373017;11680198,C#Cc1ncc(C#Cc2csc(C)n2)cc1,IJVLKBYSNPSSMM,IJVLKBYSNPSSMM-UHFFFAOYSA-N,"InChI=1S/C13H8N2S/c1-3-12-6-4-11(8-14-12)5-7-13-9-16-10(2)15-13/h1,4,6,8-9H,2H3","""AuxInfo=1/0/N:1,13,2,15,7,16,8,5,10,12,6,3,9,4,14,11/rA:16CCCNCCCCCCSCCNCC/rB:t1;s2;d3;s4;d5;s6;t7;s8;d9;s10;s11;s12;s9d12;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  5.530;  5.530,5.53,0.0,0.0,2.0,5.53,0.0
-IJVMOGKBEVRBPP_on_O00222_WT,High,ChEMBL30,CHEMBL143210,NC(C(=O)O)c1cc(C(=O)O)c(C(=O)O)cc1,IJVMOGKBEVRBPP,IJVMOGKBEVRBPP-UHFFFAOYSA-N,"InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:17,16,7,6,12,8,2,13,9,3,1,14,15,10,11,4,5/E:(12,13)(14,15)(16,17)/rA:17NCCOOCCCCOOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d9;s9;d8;s12;d13;s13;s12;s6d16;/rC:;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4371732;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723;PMID:30365309;PMID:29397723,2018,0,1,0,0,0,,=,  7.360;  7.510;  7.640,7.502999999999999,0.114,0.081,3.0,7.51,0.13
-IJVMOGKBEVRBPP_on_O15303_WT,High,ChEMBL30,CHEMBL143210,NC(C(=O)O)c1cc(C(=O)O)c(C(=O)O)cc1,IJVMOGKBEVRBPP,IJVMOGKBEVRBPP-UHFFFAOYSA-N,"InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:17,16,7,6,12,8,2,13,9,3,1,14,15,10,11,4,5/E:(12,13)(14,15)(16,17)/rA:17NCCOOCCCCOOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d9;s9;d8;s12;d13;s13;s12;s6d16;/rC:;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IJVMOGKBEVRBPP_on_Q14831_WT,Low,ChEMBL30,CHEMBL143210,NC(C(=O)O)c1cc(C(=O)O)c(C(=O)O)cc1,IJVMOGKBEVRBPP,IJVMOGKBEVRBPP-UHFFFAOYSA-N,"InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:17,16,7,6,12,8,2,13,9,3,1,14,15,10,11,4,5/E:(12,13)(14,15)(16,17)/rA:17NCCOOCCCCOOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d9;s9;d8;s12;d13;s13;s12;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<=,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-IJVMOGKBEVRBPP_on_Q14833_WT,High,ChEMBL30,CHEMBL143210,NC(C(=O)O)c1cc(C(=O)O)c(C(=O)O)cc1,IJVMOGKBEVRBPP,IJVMOGKBEVRBPP-UHFFFAOYSA-N,"InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:17,16,7,6,12,8,2,13,9,3,1,14,15,10,11,4,5/E:(12,13)(14,15)(16,17)/rA:17NCCOOCCCCOOCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;s8;d9;s9;d8;s12;d13;s13;s12;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.710;  5.500,5.605,0.105,0.105,2.0,5.605,0.105
-IJWLRLCVCXSLAI_on_O15399_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_O60391_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_Q05586_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_Q12879_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_Q13224_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJWLRLCVCXSLAI_on_Q14957_WT,Low,ChEMBL30,CHEMBL4175689,Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12,IJWLRLCVCXSLAI,IJWLRLCVCXSLAI-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3O2/c1-6-10-5-25-22-11(10)12(24)23(21-6)9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-5H,1H3","""AuxInfo=1/0/N:1,12,6,18,24,2,7,13,5,25,21,19,8,14,9,10,11,15,16,17,3,22,4,20,23/E:(3,4)(7,8)(13,14)(15,16,17,18,19,20)/rA:25CCNNCCCCFFFCCCFFFCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s14;s14;s5d13;s4;d19;s19;d21;s22;s23;s2s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IJXSIQBKGMIWSH_on_Q14833_WT,High,ChEMBL30,CHEMBL3809562,O=C(Nc1cn(S(=O)(=O)Cc2cccc(F)c2)cc1)c1ccccn1,IJXSIQBKGMIWSH,IJXSIQBKGMIWSH-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O3S/c18-14-5-3-4-13(10-14)12-25(23,24)21-9-7-15(11-21)20-17(22)16-6-1-2-8-19-16/h1-11H,12H2,(H,20,22)","""AuxInfo=1/1/N:22,23,13,12,14,21,19,24,18,17,5,10,11,15,4,20,2,16,25,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCCCFCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s15;s11d15;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.240;  6.240,6.24,0.0,0.0,2.0,6.24,0.0
-IJZGCDFZSMMYGN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3968972,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1,IJZGCDFZSMMYGN,IJZGCDFZSMMYGN-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,26,21,25,27,5,18,17,7,10,14,6,28,4,2,11,1,29,19,3,23,24,22/E:(2,3)(4,5)(7,8)(9,10)(27,28)/CRV:29.6/rA:29NCOCCCCCCCFCCCCCCCNCCSOOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;d22;d22;s22;s19s25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-IKEXEQNMTRYLGJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL391398,N#Cc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1,IKEXEQNMTRYLGJ,IKEXEQNMTRYLGJ-UHFFFAOYSA-N,"InChI=1S/C15H9N3O3/c16-8-9-3-1-4-10(7-9)17-14(19)11-5-2-6-12-13(11)18-15(20)21-12/h1-7H,(H,17,19)(H,18,20)","""AuxInfo=1/1/N:5,13,4,6,12,14,21,2,3,7,11,15,16,9,18,1,8,17,10,19,20/rA:21NCCCCCCNCOCCCCCCNCOOC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-IKHDWVPOIDWXRU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11522172;CHEMBL201774,Cc1nc(C#Cc2ccc(OS(C)(=O)=O)nc2)cs1,IKHDWVPOIDWXRU,IKHDWVPOIDWXRU-UHFFFAOYSA-N,"InChI=1S/C12H10N2O3S2/c1-9-14-11(8-18-9)5-3-10-4-6-12(13-7-10)17-19(2,15)16/h4,6-8H,1-2H3","""AuxInfo=1/0/N:1,13,6,8,5,9,17,18,2,7,4,10,16,3,14,15,11,19,12/E:(15,16)/CRV:19.6/rA:19CCNCCCCCCCOSCOONCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;d12;d12;s10;s7d16;d4;s2s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  5.631;  5.630,5.63,0.0,0.0,2.0,5.63,0.001
-IKIIZLYTISPENI_on_O00591_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_O14764_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P14867_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P18505_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P18507_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P28472_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P31644_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P34903_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P47869_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P47870_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P48169_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_P78334_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_Q16445_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKIIZLYTISPENI_on_Q99928_WT,Low,ChEMBL30,CHEMBL485818,O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O,IKIIZLYTISPENI,IKIIZLYTISPENI-UHFFFAOYSA-N,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)","""AuxInfo=1/1/N:21,20,22,19,23,16,26,18,14,17,25,8,13,9,11,29,31,27,4,2,6,15,10,12,30,32,28,1,3,24,7,5/E:(2,3)(4,5)(28,29)/rA:32OCOCOCOCCOCOCCOCCCCCCCCOCCCOCOCO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s14;d16;s17;d18;s19;d20;s21;s18d22;s17;s13s24;s8d25;s6;s27;s27;s29;s4s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-IKPBSCRTHOMIIB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3945640,CC1(C)CC(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)C1,IKPBSCRTHOMIIB,IKPBSCRTHOMIIB-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)4-3-13-5-7-15(19)8-6-13/h5-8,10-11H,9,12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,15,20,16,19,4,10,21,23,14,11,17,5,8,2,18,9,22,7,6/E:(1,2)(5,6)(7,8)(10,11)(20,21)/rA:23CCCCCONCNCCCCCCCCFCCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s17;s14d19;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-IKQBVJXRVSTRPN_on_P14867_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-IKQBVJXRVSTRPN_on_P18507_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL676826;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.250;  6.620;  6.770;  6.620,6.565,0.192,0.111,4.0,6.62,0.075
-IKQBVJXRVSTRPN_on_P28472_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.250;  6.620;  6.620;  6.770,6.565,0.192,0.111,4.0,6.62,0.075
-IKQBVJXRVSTRPN_on_P31644_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-IKQBVJXRVSTRPN_on_P34903_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-IKQBVJXRVSTRPN_on_P47869_WT,Low,ChEMBL30,CHEMBL445358,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1,IKQBVJXRVSTRPN,IKQBVJXRVSTRPN-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)25-13-15-9-6-12-26-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,16,22/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCSNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-IKRIVXIHNWUJSH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3934325,Cc1c(S(=O)(=O)Cc2cccc(Cl)c2)sc(NC(=O)c2ccccn2)n1,IKRIVXIHNWUJSH,IKRIVXIHNWUJSH-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-5-4-6-13(18)9-12)25-17(20-11)21-15(22)14-7-2-3-8-19-14/h2-9H,10H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,23,10,9,11,21,24,14,7,2,8,12,20,18,3,16,13,25,26,17,19,5,6,15,4/E:(23,24)/CRV:26.6/rA:26CCCSOOCCCCCCClCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s12;s8d12;s3;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-IKSIFHQALKJIHI_on_O00591_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_O14764_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P14867_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P18505_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P18507_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P28472_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P31644_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P34903_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P41594_WT,High,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.540;  7.960,7.75,0.21,0.21,2.0,7.75,0.21
-IKSIFHQALKJIHI_on_P47869_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P47870_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P48169_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_P78334_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKSIFHQALKJIHI_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410214,Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12,IKSIFHQALKJIHI,IKSIFHQALKJIHI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,19,20,8,12,18,21,6,5,14,2,7,4,17,13,16,3,22,15/E:(3,4)(7,8)/rA:22CCNCCCCCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;s2s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IKTDDYJJPQAFAC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,56673928;CHEMBL1808898;CHEMBL1808898,Cc1c(C2CC(O)CN2C(=O)c2cnccn2)cnc(-c2cc(Cl)ccc2)c1,IKTDDYJJPQAFAC,IKTDDYJJPQAFAC-UHFFFAOYSA-N,"InChI=1S/C21H19ClN4O2/c1-13-7-18(14-3-2-4-15(22)8-14)25-10-17(13)20-9-16(27)12-26(20)21(28)19-11-23-5-6-24-19/h2-8,10-11,16,20,27H,9,12H2,1H3","""AuxInfo=1/0/N:1,26,27,25,15,16,28,22,5,18,13,8,2,21,23,6,3,20,12,4,10,24,14,17,19,9,7,11/rA:28CCCCCCOCNCOCCNCCNCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s6;s4s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3;d18;s19;s20;d21;s22;s23;d23;s25;s21d26;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609897;CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PubChemAID:609897;PMID:21757343;PMID:21757343,2012;2011;2011,0;0;1,0,0,0;1;0,1;0;0,,=,  6.495;  5.520;  6.500,6.172000000000001,0.461,0.326,3.0,6.495,0.005
-IKYRRZCLDPRGQK_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3912127,CC(C)c1c(S(=O)(=O)C(C)c2ccccc2F)sc(NC(=O)c2ccccn2)n1,IKYRRZCLDPRGQK,IKYRRZCLDPRGQK-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O3S2/c1-12(2)17-19(29(26,27)13(3)14-8-4-5-9-15(14)21)28-20(23-17)24-18(25)16-10-6-7-11-22-16/h4-13H,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,10,13,14,25,26,12,15,24,27,2,9,11,16,23,4,21,5,19,17,28,29,20,22,7,8,18,6/E:(1,2)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCCCCCCFSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;s9;d11;s12;d13;s14;s11d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-IKZULTNPRONRDX_on_Q14416_WT,High,ChEMBL30,CHEMBL3221841,CCCn1ccc2c(cccc2NCc2ccc(OC)cc2)c1=O,IKZULTNPRONRDX,IKZULTNPRONRDX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O2/c1-3-12-22-13-11-17-18(20(22)23)5-4-6-19(17)21-14-15-7-9-16(24-2)10-8-15/h4-11,13,21H,3,12,14H2,1-2H3","""AuxInfo=1/0/N:1,20,2,10,9,11,16,22,17,21,6,3,5,14,15,18,7,8,12,23,13,4,24,19/E:(7,8)(9,10)/rA:24CCCNCCCCCCCCNCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-ILCDOFUXUXWKBB_on_Q05586_WT,Low,ChEMBL30,CHEMBL4210730,Cc1csc(-c2cnc3ccn(Cc4ccc(C(F)(F)F)o4)c3c2)c1,ILCDOFUXUXWKBB,ILCDOFUXUXWKBB-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2OS/c1-11-6-16(25-10-11)12-7-15-14(22-8-12)4-5-23(15)9-13-2-3-17(24-13)18(19,20)21/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,10,11,25,24,7,13,3,2,6,14,9,23,5,17,18,19,20,21,8,12,22,4/E:(19,20,21)/rA:25CCCSCCCNCCCNCCCCCCFFFOCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s18;s18;s18;s14s17;s9s12;s6d23;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ILCDOFUXUXWKBB_on_Q13224_WT,Low,ChEMBL30,CHEMBL4210730,Cc1csc(-c2cnc3ccn(Cc4ccc(C(F)(F)F)o4)c3c2)c1,ILCDOFUXUXWKBB,ILCDOFUXUXWKBB-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2OS/c1-11-6-16(25-10-11)12-7-15-14(22-8-12)4-5-23(15)9-13-2-3-17(24-13)18(19,20)21/h2-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,10,11,25,24,7,13,3,2,6,14,9,23,5,17,18,19,20,21,8,12,22,4/E:(19,20,21)/rA:25CCCSCCCNCCCNCCCCCCFFFOCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s18;s18;s18;s14s17;s9s12;s6d23;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ILFNJXKQDRVMOX_on_P41594_WT,High,ChEMBL30,CHEMBL1808866,O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1,ILFNJXKQDRVMOX,ILFNJXKQDRVMOX-UHFFFAOYSA-N,"InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2","""AuxInfo=1/0/N:19,10,5,18,20,11,4,14,15,9,6,23,25,17,13,21,16,12,3,2,22,24,8,1,7/rA:25OCCCCCSNCCCCCCCCCCCCCClCNC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s8s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s21;s17d21;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  8.100;  7.050,7.575,0.525,0.525,2.0,7.575,0.525
-ILFYWHUZKNCDEU_on_P14867_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-ILFYWHUZKNCDEU_on_P18507_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999409;CHEMBL999414;CHEMBL999413;CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.640;  7.270;  8.270;  6.180,7.09,0.7829999999999999,0.452,4.0,6.955,0.545
-ILFYWHUZKNCDEU_on_P28472_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999414;CHEMBL999413;CHEMBL999410;CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.270;  8.270;  6.180;  6.640,7.09,0.7829999999999999,0.452,4.0,6.955,0.545
-ILFYWHUZKNCDEU_on_P31644_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL999413,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-ILFYWHUZKNCDEU_on_P34903_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL449393;25093403,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411;PubChemAID:349343,PMID:18790643,2008.0,PMID:18790643;PubChemAID:349343,2008;2010,0,0,0,1;0,0;1,,=,  5.570;  5.574,5.572,0.002,0.002,2.0,5.572,0.002
-ILFYWHUZKNCDEU_on_P47869_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ILFYWHUZKNCDEU_on_Q16445_WT,Low,ChEMBL30,CHEMBL449393,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,ILFYWHUZKNCDEU,ILFYWHUZKNCDEU-UHFFFAOYSA-N,"InChI=1S/C35H30N6O6/c1-5-22-10-12-26-24(16-22)32(42)38(3)18-28-30(36-20-40(26)28)34(44)46-14-8-7-9-15-47-35(45)31-29-19-39(4)33(43)25-17-23(6-2)11-13-27(25)41(29)21-37-31/h1-2,10-13,16-17,20-21H,7-9,14-15,18-19H2,3-4H3","""AuxInfo=1/0/N:1,37,45,28,2,36,18,17,19,8,34,7,33,16,20,4,38,43,26,10,40,3,35,5,31,6,32,42,25,12,24,46,29,13,22,11,41,44,27,9,39,47,30,14,23,15,21/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)/rA:47CCCCCCCCNCNCCOOCCCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;s26;s27;s27;d29;s29;d31;s32;d33;s34;s35;t36;s31d35;s25s32;s39;s24d40;s9d12;s42;s43;s44;s5s44;d46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-ILFZZMYJRPZIPF_on_P14867_WT,Low,ChEMBL30,CHEMBL203315,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1,ILFZZMYJRPZIPF,ILFZZMYJRPZIPF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)17-7-9-26-16(11-24-19(26)25-17)12-5-6-14(21)13(10-12)18-15(22)4-3-8-23-18/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,27,19,26,12,9,11,13,21,15,10,5,14,7,2,22,16,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-ILFZZMYJRPZIPF_on_P18507_WT,Low,ChEMBL30,CHEMBL203315,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1,ILFZZMYJRPZIPF,ILFZZMYJRPZIPF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)17-7-9-26-16(11-24-19(26)25-17)12-5-6-14(21)13(10-12)18-15(22)4-3-8-23-18/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,27,19,26,12,9,11,13,21,15,10,5,14,7,2,22,16,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL862572;CHEMBL863774;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.910;  9.380;  9.100,9.13,0.193,0.13699999999999998,3.0,9.1,0.19
-ILFZZMYJRPZIPF_on_P28472_WT,Low,ChEMBL30,CHEMBL203315,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1,ILFZZMYJRPZIPF,ILFZZMYJRPZIPF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)17-7-9-26-16(11-24-19(26)25-17)12-5-6-14(21)13(10-12)18-15(22)4-3-8-23-18/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,27,19,26,12,9,11,13,21,15,10,5,14,7,2,22,16,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863772;CHEMBL862572;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.100;  8.910;  9.380,9.13,0.193,0.13699999999999998,3.0,9.1,0.19
-ILFZZMYJRPZIPF_on_P31644_WT,Low,ChEMBL30,CHEMBL203315,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1,ILFZZMYJRPZIPF,ILFZZMYJRPZIPF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)17-7-9-26-16(11-24-19(26)25-17)12-5-6-14(21)13(10-12)18-15(22)4-3-8-23-18/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,27,19,26,12,9,11,13,21,15,10,5,14,7,2,22,16,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.910,8.91,0.0,0.0,1.0,8.91,0.0
-ILFZZMYJRPZIPF_on_P34903_WT,Low,ChEMBL30,CHEMBL203315,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1,ILFZZMYJRPZIPF,ILFZZMYJRPZIPF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O/c1-20(2,27)17-7-9-26-16(11-24-19(26)25-17)12-5-6-14(21)13(10-12)18-15(22)4-3-8-23-18/h3-11,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,27,19,26,12,9,11,13,21,15,10,5,14,7,2,22,16,20,8,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.380,9.38,0.0,0.0,1.0,9.38,0.0
-ILJHFJMCUBAZLV_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797994,CCN(Cc1cc(=O)n2c(CO)c(C)sc2n1)c1ccc(F)cc1,ILJHFJMCUBAZLV,ILJHFJMCUBAZLV-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O2S/c1-3-20(14-6-4-12(18)5-7-14)9-13-8-16(23)21-15(10-22)11(2)24-17(21)19-13/h4-8,22H,3,9-10H2,1-2H3","""AuxInfo=1/0/N:1,14,2,20,23,19,24,6,4,11,13,21,5,18,10,7,16,22,17,3,9,12,8,15/E:(4,5)(6,7)/rA:24CCNCCCCONCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;d10;s13;s13;s9s15;s5d16;s3;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-ILJHFJMCUBAZLV_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797994,CCN(Cc1cc(=O)n2c(CO)c(C)sc2n1)c1ccc(F)cc1,ILJHFJMCUBAZLV,ILJHFJMCUBAZLV-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O2S/c1-3-20(14-6-4-12(18)5-7-14)9-13-8-16(23)21-15(10-22)11(2)24-17(21)19-13/h4-8,22H,3,9-10H2,1-2H3","""AuxInfo=1/0/N:1,14,2,20,23,19,24,6,4,11,13,21,5,18,10,7,16,22,17,3,9,12,8,15/E:(4,5)(6,7)/rA:24CCNCCCCONCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;d10;s13;s13;s9s15;s5d16;s3;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-ILJURMUTUMKSGV_on_P18507_WT,Low,ChEMBL30,CHEMBL373213,N#Cc1cccc(-c2cc(-c3c(F)cc(F)cc3)nnc2)c1,ILJURMUTUMKSGV,ILJURMUTUMKSGV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-14-4-5-15(16(19)8-14)17-7-13(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,17,18,22,9,14,2,21,3,7,8,15,11,12,10,16,13,1,20,19/rA:22NCCCCCCCCCCCFCCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.640;  7.770,7.705,0.065,0.065,2.0,7.705,0.065
-ILJURMUTUMKSGV_on_P28472_WT,Low,ChEMBL30,CHEMBL373213,N#Cc1cccc(-c2cc(-c3c(F)cc(F)cc3)nnc2)c1,ILJURMUTUMKSGV,ILJURMUTUMKSGV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-14-4-5-15(16(19)8-14)17-7-13(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,17,18,22,9,14,2,21,3,7,8,15,11,12,10,16,13,1,20,19/rA:22NCCCCCCCCCCCFCCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.770;  7.640,7.705,0.065,0.065,2.0,7.705,0.065
-ILJURMUTUMKSGV_on_P31644_WT,Low,ChEMBL30,CHEMBL373213,N#Cc1cccc(-c2cc(-c3c(F)cc(F)cc3)nnc2)c1,ILJURMUTUMKSGV,ILJURMUTUMKSGV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-14-4-5-15(16(19)8-14)17-7-13(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,17,18,22,9,14,2,21,3,7,8,15,11,12,10,16,13,1,20,19/rA:22NCCCCCCCCCCCFCCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-ILJURMUTUMKSGV_on_P34903_WT,Low,ChEMBL30,CHEMBL373213,N#Cc1cccc(-c2cc(-c3c(F)cc(F)cc3)nnc2)c1,ILJURMUTUMKSGV,ILJURMUTUMKSGV-UHFFFAOYSA-N,"InChI=1S/C17H9F2N3/c18-14-4-5-15(16(19)8-14)17-7-13(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H","""AuxInfo=1/0/N:5,4,6,17,18,22,9,14,2,21,3,7,8,15,11,12,10,16,13,1,20,19/rA:22NCCCCCCCCCCCFCCFCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;d10;s19;s8d20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-ILMOIGMXUROPNB_on_O15399_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_O60391_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILMOIGMXUROPNB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192363,CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O,ILMOIGMXUROPNB,ILMOIGMXUROPNB-UHFFFAOYSA-N,"InChI=1S/C18H25NO2/c1-4-19(5-2)13-9-12-18(3)17(20)16(14-21-18)15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3","""AuxInfo=1/0/N:1,5,10,2,4,17,16,18,7,15,19,8,6,12,14,13,20,9,3,21,11/E:(1,2)(4,5)(7,8)(10,11)/rA:21CCNCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;w?12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ILNGXJLAGRIBLN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3931394,COc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(F)c1,ILNGXJLAGRIBLN,ILNGXJLAGRIBLN-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c1-22-10-6-7-11(14(18)8-10)13-9-16(17(19)21)20-15-5-3-2-4-12(13)15/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,17,18,16,19,4,5,22,8,3,6,15,7,20,14,9,10,21,11,13,12,2/rA:22COCCCCCCCCNONCCCCCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s14d18;s6;s20;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ILNMYSGPLVXPRM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3086719;72546751,COC(=O)N1CCC2(CC1)CC(O)(C#Cc1cc(C)ccc1)C2,ILNMYSGPLVXPRM,ILNMYSGPLVXPRM-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-15-4-3-5-16(12-15)6-7-19(22)13-18(14-19)8-10-20(11-9-18)17(21)23-2/h3-5,12,22H,8-11,13-14H2,1-2H3","""AuxInfo=1/0/N:19,1,21,20,22,15,14,7,9,6,10,17,11,23,18,16,3,8,12,5,4,13,2/E:(8,9)(10,11)(13,14)/rA:23COCONCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s11;s12;s12;t14;s15;d16;s17;s18;d18;s20;s16d21;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  6.510;  6.514,6.5120000000000005,0.002,0.002,2.0,6.5120000000000005,0.002
-ILOOTZLWHQGCRZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL184821,COC(=O)c1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1,ILOOTZLWHQGCRZ,ILOOTZLWHQGCRZ-UHFFFAOYSA-N,"InChI=1S/C20H15N5O2/c1-27-20(26)16-8-4-6-14(12-16)15-7-5-9-17(13-15)25-23-19(22-24-25)18-10-2-3-11-21-18/h2-13H,1H3","""AuxInfo=1/0/N:1,23,22,7,12,8,11,6,13,24,21,27,26,9,10,5,14,19,18,3,20,17,25,16,15,4,2/rA:27COCOCCCCCCCCCCNNNCCNCCCCNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s15d18;s10d14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-ILSICJGDEGZBHX_on_Q05586_WT,High,ChEMBL30,CHEMBL399274,CCOCCOCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,ILSICJGDEGZBHX,ILSICJGDEGZBHX-UHFFFAOYSA-N,"InChI=1S/C15H19Cl2N3O6S/c1-3-25-6-7-26-5-4-20(27(2,23)24)13-11(17)9(16)8-10-12(13)19-15(22)14(21)18-10/h8H,3-7H2,1-2H3,(H,18,21)(H,19,22)","""AuxInfo=1/1/N:1,25,2,8,7,4,5,19,20,18,22,11,10,15,13,21,23,17,12,9,16,14,26,27,3,6,24/E:(23,24)/CRV:27.6/rA:27CCOCCOCCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s15;d15;s11s17;d18;s19;s20;s10d20;s22;s9;s24;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-ILTSQERZQBXLER_on_P41594_WT,High,ChEMBL30,CHEMBL2349539,Cc1nc(NC(=O)c2nn(C)c(-c3cc(F)cc(F)c3)c2C)ccc1,ILTSQERZQBXLER,ILTSQERZQBXLER-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-13(19)9-14(20)8-12/h4-9H,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:1,22,11,24,25,23,14,20,17,2,21,13,15,18,4,8,12,6,16,19,3,5,9,10,7/E:(7,8)(13,14)(19,20)/rA:25CCNCNCOCNNCCCCCFCCFCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;s8d12;s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-ILUNVYWPNLVBNV_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL218211;16109419,CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,ILUNVYWPNLVBNV,ILUNVYWPNLVBNV-UHFFFAOYSA-N,"InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,2,20,4,26,5,25,13,23,19,21,12,24,15,7,3,14,6,17,9,18,22,16,11,10,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(21,22)/rA:26CCCCCCCOCONCCCCNCNCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  8.430;  8.432,8.431000000000001,0.001,0.001,2.0,8.431000000000001,0.001
-ILVDLPMGOZQXLY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL202042;11600877,Cc1nc(C#Cc2cncnc2)cs1,ILVDLPMGOZQXLY,ILVDLPMGOZQXLY-UHFFFAOYSA-N,"InChI=1S/C10H7N3S/c1-8-13-10(6-14-8)3-2-9-4-11-7-12-5-9/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,8,12,13,10,2,7,4,9,11,3,14/E:(4,5)(11,12)/rA:14CCNCCCCCNCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  6.020;  6.024,6.022,0.002,0.002,2.0,6.022,0.002
-ILXKERGLPHVXND_on_P31644_WT,High,ChEMBL30,CHEMBL3681506,Cc1c(COc2ccc(C(=O)NC(CO)C(C)C)cn2)c(-c2ccccc2)no1,ILXKERGLPHVXND,ILXKERGLPHVXND-UHFFFAOYSA-N,"InChI=1S/C22H25N3O4/c1-14(2)19(12-26)24-22(27)17-9-10-20(23-11-17)28-13-18-15(3)29-25-21(18)16-7-5-4-6-8-16/h4-11,14,19,26H,12-13H2,1-3H3,(H,24,27)","""AuxInfo=1/1/N:17,18,1,25,24,26,23,27,8,7,19,14,4,16,2,22,9,3,13,6,21,10,20,12,28,15,11,5,29/E:(1,2)(5,6)(7,8)/rA:29CCCCOCCCCCONCCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s13;s16;s16;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-IMDDOAUHJPXTRQ_on_O15399_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IMDDOAUHJPXTRQ_on_O60391_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IMDDOAUHJPXTRQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IMDDOAUHJPXTRQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL1805121;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705;PMID:21453995;PMID:15225705,2004;2011;2004,1,0,0,0,0,,=,  8.520;  8.400;  8.100,8.34,0.177,0.125,3.0,8.4,0.12
-IMDDOAUHJPXTRQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IMDDOAUHJPXTRQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708;CHEMBL1805121,PMID:15225705,2004.0,PMID:15225705;PMID:15225705;PMID:21453995,2004;2004;2011,1,0,0,0,0,,=,  8.100;  8.520;  8.400,8.34,0.177,0.125,3.0,8.4,0.12
-IMDDOAUHJPXTRQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL182665,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,IMDDOAUHJPXTRQ,IMDDOAUHJPXTRQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,16,1,15,10,11/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCOOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IMEPFIQPXFUSMQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107140,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F,IMEPFIQPXFUSMQ,IMEPFIQPXFUSMQ-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-14(5-7-27-13)20-18-6-8-31-16(11-23)12-29(18)21(28-20)15-3-4-17(22(24,25)26)19(10-15)30-2/h3-5,7,9-10,16H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,25,26,10,17,11,18,15,4,21,23,13,9,5,20,27,16,3,8,6,28,22,29,30,31,12,7,24,2,19/E:(24,25,26)/rA:31COCCCCNCCCCNCCCCCCOCCFCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-IMJOFZFQWDCAMA_on_P41594_WT,Low,ChEMBL30,CHEMBL292553,NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1,IMJOFZFQWDCAMA,IMJOFZFQWDCAMA-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-14(13(19)20)8-11(12(17)18)16(9-14)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,13,12,6,20,14,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IMJOFZFQWDCAMA_on_Q13255_WT,Low,ChEMBL30,CHEMBL292553,NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1,IMJOFZFQWDCAMA,IMJOFZFQWDCAMA-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-14(13(19)20)8-11(12(17)18)16(9-14)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,13,12,6,20,14,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IMJOFZFQWDCAMA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL292553,NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1,IMJOFZFQWDCAMA,IMJOFZFQWDCAMA-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-14(13(19)20)8-11(12(17)18)16(9-14)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,13,12,6,20,14,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-IMJOFZFQWDCAMA_on_Q14832_WT,Low,ChEMBL30,CHEMBL292553,NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1,IMJOFZFQWDCAMA,IMJOFZFQWDCAMA-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-14(13(19)20)8-11(12(17)18)16(9-14)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,13,12,6,20,14,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  3.780,3.78,0.0,0.0,1.0,3.78,0.0
-IMJOFZFQWDCAMA_on_Q14833_WT,Low,ChEMBL30,CHEMBL292553,NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1,IMJOFZFQWDCAMA,IMJOFZFQWDCAMA-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-14(13(19)20)8-11(12(17)18)16(9-14)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,13,12,6,20,14,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-IMKFDAJEBFMGOD_on_P18507_WT,Low,ChEMBL30,CHEMBL569478,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,IMKFDAJEBFMGOD,IMKFDAJEBFMGOD-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-19-7-17-18-13(19)9-3-8(4-15)1-2-10(9)20(11)6-16-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,10,17,3,5,6,14,12,20,13,1,11,18,19,16,9/rA:20NCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-IMKFDAJEBFMGOD_on_P28472_WT,Low,ChEMBL30,CHEMBL569478,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,IMKFDAJEBFMGOD,IMKFDAJEBFMGOD-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-19-7-17-18-13(19)9-3-8(4-15)1-2-10(9)20(11)6-16-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,10,17,3,5,6,14,12,20,13,1,11,18,19,16,9/rA:20NCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-IMKFDAJEBFMGOD_on_P31644_WT,Low,ChEMBL30,CHEMBL569478,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,IMKFDAJEBFMGOD,IMKFDAJEBFMGOD-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-19-7-17-18-13(19)9-3-8(4-15)1-2-10(9)20(11)6-16-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,10,17,3,5,6,14,12,20,13,1,11,18,19,16,9/rA:20NCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-IMLLSKDXLVDFRH_on_P41594_WT,High,ChEMBL30,CHEMBL408653,Clc1cccc(-c2nc(-c3ncccc3)no2)c1,IMLLSKDXLVDFRH,IMLLSKDXLVDFRH-UHFFFAOYSA-N,InChI=1S/C13H8ClN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H,"""AuxInfo=1/0/N:14,13,4,5,3,15,12,18,6,2,10,9,7,1,11,8,16,17/rA:18ClCCCCCCNCCNCCCCNOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s7s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-IMMPJABTWMVMPJ_on_O00591_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_O14764_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P14867_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P18505_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P18507_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P28472_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P31644_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P34903_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P47869_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P47870_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P48169_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_P78334_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMMPJABTWMVMPJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL557949,Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2,IMMPJABTWMVMPJ,IMMPJABTWMVMPJ-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,9,10,6,7,17,4,14,5,15,2,12,8,18,3,13,11,1,16/rA:21OCNCCCCFCCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IMNDRTREIHGIIE_on_P14867_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-IMNDRTREIHGIIE_on_P18507_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680434;CHEMBL680672;CHEMBL677036;CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.800;  8.590;  7.430;  7.420,7.81,0.47600000000000003,0.275,4.0,7.615,0.19
-IMNDRTREIHGIIE_on_P28472_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682711;CHEMBL680434;CHEMBL680672;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.420;  7.800;  8.590;  7.430,7.81,0.47600000000000003,0.275,4.0,7.615,0.19
-IMNDRTREIHGIIE_on_P31644_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-IMNDRTREIHGIIE_on_P34903_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-IMNDRTREIHGIIE_on_P47869_WT,Low,ChEMBL30,CHEMBL320395,CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1,IMNDRTREIHGIIE,IMNDRTREIHGIIE-UHFFFAOYSA-N,"InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,18,3/rA:20CCSCCCOCCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-IMNUYQQIVISJGO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3897268,Cc1ccc2c(-c3ccccc3F)cc(C(N)=O)nc2c1,IMNUYQQIVISJGO,IMNUYQQIVISJGO-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O/c1-10-6-7-12-13(11-4-2-3-5-14(11)18)9-16(17(19)21)20-15(12)8-10/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,9,10,8,11,3,4,21,14,2,7,5,6,12,20,15,16,13,17,19,18/rA:21CCCCCCCCCCCCFCCCNONCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d6;s14;s15;s16;d16;d15;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-IMOCYWWBJAGOSH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3948794,Cc1ccc2c(-c3ccc(C#N)cc3)cc(C(N)=O)nc2c1,IMOCYWWBJAGOSH,IMOCYWWBJAGOSH-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-11-2-7-14-15(13-5-3-12(10-19)4-6-13)9-17(18(20)22)21-16(14)8-11/h2-9H,1H3,(H2,20,22)","""AuxInfo=1/1/N:1,3,9,13,8,14,4,22,15,11,2,10,7,5,6,21,16,17,12,18,20,19/E:(3,4)(5,6)/rA:22CCCCCCCCCCCNCCCCCNONCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;t11;s10;s7d13;d6;s15;s16;s17;d17;d16;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-IMQXOXKQVQPZMJ_on_Q14416_WT,High,ExCAPE-DB,9834591,NC1(C(=O)O)C=S(O)(O)=C2C(C(=O)O)C21,IMQXOXKQVQPZMJ,IMQXOXKQVQPZMJ-UHFFFAOYSA-N,"InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h1-3,13-14H,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,11,15,10,12,3,2,1,13,14,4,5,8,9,7/E:(9,10)(11,12)(13,14)/CRV:15.6/rA:15NCCOOCSOOCCCOOC/rB:s1;s2;d3;s3;s2;d6;s7;s7;d7;s10;s11;d12;s12;s2s10s11;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:275489,PubChemAID:275489,2010.0,PubChemAID:275489,2010,0,0,0,0,1,,=,  7.631,7.631,0.0,0.0,1.0,7.631,0.0
-IMRFBYOXNLNSCH_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684108,O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CCN1CCOCC1,IMRFBYOXNLNSCH,IMRFBYOXNLNSCH-UHFFFAOYSA-N,"InChI=1S/C23H24N2O2/c26-23-22-9-8-20(7-6-19-4-2-1-3-5-19)18-21(22)10-11-25(23)13-12-24-14-16-27-17-15-24/h1-5,8-9,18H,10-17H2","""AuxInfo=1/0/N:12,11,13,10,14,8,7,15,16,17,18,21,20,23,27,24,26,5,9,6,4,3,2,22,19,1,25/E:(2,3)(4,5)(14,15)(16,17)/rA:27OCCCCCCCCCCCCCCCCCNCCNCCOCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;s17;s2s18;s19;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-IMTQHWXBLDNQNJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3785245,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c(cccc4)C3=O)cc2)occ1,IMTQHWXBLDNQNJ,IMTQHWXBLDNQNJ-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-12-8-9-28-19(12)20(26)23-14-6-7-17(16(22)11-14)24-18(25)10-13-4-2-3-5-15(13)21(24)27/h2-9,11H,10H2,1H3,(H,23,26)","""AuxInfo=1/1/N:1,20,19,21,18,25,24,28,27,15,8,2,16,7,17,9,11,13,3,4,22,10,6,12,14,5,23,26/rA:28CCCCONCCCClCNCOCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;d16;s17;d18;s19;s16d20;s12s17;d22;s11;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.620;  6.650,6.635,0.015,0.015,2.0,6.635,0.015
-IMUDQBCHEYOMPG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937874,Cc1cc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)ccc1,IMUDQBCHEYOMPG,IMUDQBCHEYOMPG-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-14-6-5-7-15(12-14)8-9-16-10-11-17(21-20-16)23-13-19(2,3)22(4)18(23)24/h5-7,10-12H,13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,17,23,24,22,5,6,8,9,3,12,2,4,7,10,18,13,21,20,16,11,19/E:(2,3)/rA:24CCCCCCCCCCNCCCCNCCONNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s13;s13;s16;s11s16;d18;s10;s7d20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-IMVCVLTXUNLWMR_on_P31644_WT,High,ChEMBL30,CHEMBL3681483,COC(=O)C(=O)Nc1ccc(OCc2c(C)onc2-c2ccccc2)nc1,IMVCVLTXUNLWMR,IMVCVLTXUNLWMR-UHFFFAOYSA-N,"InChI=1S/C19H17N3O5/c1-12-15(17(22-27-12)13-6-4-3-5-7-13)11-26-16-9-8-14(10-20-16)21-18(23)19(24)25-2/h3-10H,11H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:16,1,23,22,24,21,25,9,10,27,13,15,20,8,14,11,19,5,3,26,7,18,6,4,2,12,17/E:(4,5)(6,7)/rA:27COCOCONCCCCOCCCCONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s5;s7;d8;s9;d10;s11;s12;s13;d14;s15;s15;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-IMVRZWRPWASEGO_on_O15399_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_O60391_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_Q05586_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_Q12879_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_Q13224_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IMVRZWRPWASEGO_on_Q14957_WT,Low,ChEMBL30,CHEMBL318467,NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O,IMVRZWRPWASEGO,IMVRZWRPWASEGO-UHFFFAOYSA-N,"InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)","""AuxInfo=1/1/N:3,9,4,2,5,6,13,15,1,10,8,7,12,14,16,17,11/E:(15,16)/rA:17NCCCCCNNCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-INBCSHHGWOUOTC_on_P41594_WT,High,ChEMBL30,CHEMBL181169,CC(C)Nc1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1,INBCSHHGWOUOTC,INBCSHHGWOUOTC-UHFFFAOYSA-N,"InChI=1S/C13H15ClN6O/c1-7(2)17-12-10(14)19-9(11(15)20-12)13(21)18-8-5-3-4-6-16-8/h3-7H,1-2H3,(H3,15,17,20)(H,16,18,21)","""AuxInfo=1/1/N:1,3,17,16,18,15,2,13,9,6,19,5,10,7,20,14,4,12,8,21,11/E:(1,2)/rA:21CCCNCCClNCCONCNCCCCCNN/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9;s19;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-INBGSXNNRGWLJU_on_Q12879_WT,Low,ChEMBL30,CHEMBL169046,CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,INBGSXNNRGWLJU,INBGSXNNRGWLJU-UHFFFAOYSA-N,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3","""AuxInfo=1/0/N:1,7,8,24,29,4,3,16,15,11,12,21,26,5,22,27,18,2,17,19,14,10,13,25,6,23,28,20,9/E:(2,3)/rA:29CCCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s6;s2;s10;s11;s12;s13;s14;s15;w?16;s17;s18;s19;s19;s21;s17s22;s23;s14s23;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4408248,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-INBGSXNNRGWLJU_on_Q13224_WT,Low,ChEMBL30,CHEMBL169046,CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,INBGSXNNRGWLJU,INBGSXNNRGWLJU-UHFFFAOYSA-N,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3","""AuxInfo=1/0/N:1,7,8,24,29,4,3,16,15,11,12,21,26,5,22,27,18,2,17,19,14,10,13,25,6,23,28,20,9/E:(2,3)/rA:29CCCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s6;s2;s10;s11;s12;s13;s14;s15;w?16;s17;s18;s19;s19;s21;s17s22;s23;s14s23;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-INFYOIFXQPRUOY_on_P41594_WT,Low,ChEMBL30,CHEMBL215353,Cc1nc(C#CCNC(=O)Nc2cccc(Cl)c2)ccc1,INFYOIFXQPRUOY,INFYOIFXQPRUOY-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-12-5-2-7-14(19-12)9-4-10-18-16(21)20-15-8-3-6-13(17)11-15/h2-3,5-8,11H,10H2,1H3,(H2,18,20,21)","""AuxInfo=1/1/N:1,20,14,6,21,15,19,13,5,7,18,2,16,4,12,9,17,8,3,11,10/rA:21CCNCCCCNCONCCCCCClCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s12d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-INGAEVQROKUCFW_on_O15399_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_O60391_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_Q05586_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_Q12879_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_Q13224_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INGAEVQROKUCFW_on_Q14957_WT,Low,ChEMBL30,CHEMBL269032,N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1,INGAEVQROKUCFW,INGAEVQROKUCFW-UHFFFAOYSA-N,"InChI=1S/C19H24N6/c20-18(21)14-2-6-16(7-3-14)24-10-1-11-25(13-12-24)17-8-4-15(5-9-17)19(22)23/h2-9H,1,10-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:10,5,25,15,20,6,24,14,21,9,11,23,22,4,16,7,13,2,17,1,3,18,19,8,12/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCNCCCNCCCCCNNCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s16;s13d20;s12;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3242674,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-INIXNNKFVDXPBJ_on_P14867_WT,Low,ChEMBL30,CHEMBL382791,CCCc1c(C2CCNCC2)snc1O,INIXNNKFVDXPBJ,INIXNNKFVDXPBJ-UHFFFAOYSA-N,"InChI=1S/C11H18N2OS/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)","""AuxInfo=1/1/N:1,2,3,7,11,8,10,6,4,5,14,9,13,15,12/E:(4,5)(6,7)/rA:15CCCCCCCCNCCSNCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s6s10;s5;s12;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.640;  6.640,6.64,0.0,0.0,2.0,6.64,0.0
-INIXNNKFVDXPBJ_on_P18507_WT,Low,ChEMBL30,CHEMBL382791,CCCc1c(C2CCNCC2)snc1O,INIXNNKFVDXPBJ,INIXNNKFVDXPBJ-UHFFFAOYSA-N,"InChI=1S/C11H18N2OS/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)","""AuxInfo=1/1/N:1,2,3,7,11,8,10,6,4,5,14,9,13,15,12/E:(4,5)(6,7)/rA:15CCCCCCCCNCCSNCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s6s10;s5;s12;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.640;  6.640,6.64,0.0,0.0,2.0,6.64,0.0
-INIXNNKFVDXPBJ_on_P28472_WT,Low,ChEMBL30,CHEMBL382791,CCCc1c(C2CCNCC2)snc1O,INIXNNKFVDXPBJ,INIXNNKFVDXPBJ-UHFFFAOYSA-N,"InChI=1S/C11H18N2OS/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)","""AuxInfo=1/1/N:1,2,3,7,11,8,10,6,4,5,14,9,13,15,12/E:(4,5)(6,7)/rA:15CCCCCCCCNCCSNCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s6s10;s5;s12;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.640;  6.640,6.64,0.0,0.0,2.0,6.64,0.0
-INJDHNMOEVKOSN_on_O00222_WT,High,ChEMBL30,CHEMBL4078629,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)O,INJDHNMOEVKOSN,INJDHNMOEVKOSN-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,17,2,13,23,8,18,19,20,21,1,14,24,25,9,15,16,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCN+OO-CCFFFCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s18;s18;s18;s10d17;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-INJDHNMOEVKOSN_on_O15303_WT,High,ChEMBL30,CHEMBL4078629,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)O,INJDHNMOEVKOSN,INJDHNMOEVKOSN-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,17,2,13,23,8,18,19,20,21,1,14,24,25,9,15,16,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCN+OO-CCFFFCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s18;s18;s18;s10d17;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-INJDHNMOEVKOSN_on_Q14831_WT,Low,ChEMBL30,CHEMBL4078629,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)O,INJDHNMOEVKOSN,INJDHNMOEVKOSN-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,17,2,13,23,8,18,19,20,21,1,14,24,25,9,15,16,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCN+OO-CCFFFCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s18;s18;s18;s10d17;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-INJDHNMOEVKOSN_on_Q14833_WT,High,ChEMBL30,CHEMBL4078629,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)O,INJDHNMOEVKOSN,INJDHNMOEVKOSN-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,17,2,13,23,8,18,19,20,21,1,14,24,25,9,15,16,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCN+OO-CCFFFCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s17;s18;s18;s18;s10d17;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-INJKUEAWCDOGAY_on_P18507_WT,Low,ChEMBL30,CHEMBL212052,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(Cl)cccc1,INJKUEAWCDOGAY,INJKUEAWCDOGAY-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCClCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-INJKUEAWCDOGAY_on_P28472_WT,Low,ChEMBL30,CHEMBL212052,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(Cl)cccc1,INJKUEAWCDOGAY,INJKUEAWCDOGAY-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCClCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-INJKUEAWCDOGAY_on_P34903_WT,Low,ChEMBL30,CHEMBL212052,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(Cl)cccc1,INJKUEAWCDOGAY,INJKUEAWCDOGAY-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCClCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-INJXYYMXQAALDH_on_P41594_WT,High,ChEMBL30,CHEMBL198093,CCOc1cc(C#N)cnc1Nc1nc(C)ccc1,INJXYYMXQAALDH,INJXYYMXQAALDH-UHFFFAOYSA-N,"InChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)","""AuxInfo=1/1/N:1,16,2,18,17,19,5,7,9,15,6,4,13,11,8,10,14,12,3/rA:19CCOCCCCNCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;t7;d6;s9;s4d10;s11;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-INJZQYHSHJHLEI_on_O00222_WT,High,ChEMBL30,CHEMBL4069700,NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O,INJZQYHSHJHLEI,INJZQYHSHJHLEI-UHFFFAOYSA-N,"InChI=1S/C11H14N3O10P/c12-7(10(16)17)1-2-25(23,24)11(18)6-3-5(13(19)20)4-8(9(6)15)14(21)22/h3-4,7,11,15,18H,1-2,12H2,(H,16,17)(H,23,24)","""AuxInfo=1/1/N:3,4,11,16,12,10,2,17,21,23,8,1,13,18,22,24,25,9,14,15,19,20,6,7,5/E:(16,17)(19,20)(21,22)(23,24)/CRV:13.5,14.5/rA:25NCCCPOOCOCCCN+OO-CCN+OO-COCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d13;s13;d12;s16;s17;d18;s18;s10d17;s21;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-INJZQYHSHJHLEI_on_Q14833_WT,High,ChEMBL30,CHEMBL4069700,NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O,INJZQYHSHJHLEI,INJZQYHSHJHLEI-UHFFFAOYSA-N,"InChI=1S/C11H14N3O10P/c12-7(10(16)17)1-2-25(23,24)11(18)6-3-5(13(19)20)4-8(9(6)15)14(21)22/h3-4,7,11,15,18H,1-2,12H2,(H,16,17)(H,23,24)","""AuxInfo=1/1/N:3,4,11,16,12,10,2,17,21,23,8,1,13,18,22,24,25,9,14,15,19,20,6,7,5/E:(16,17)(19,20)(21,22)(23,24)/CRV:13.5,14.5/rA:25NCCCPOOCOCCCN+OO-CCN+OO-COCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d13;s13;d12;s16;s17;d18;s18;s10d17;s21;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-INKMAJHFDLGSLX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3969803,CCc1c(S(=O)(=O)Cc2cccc(Cl)c2F)sc(NC(=O)c2ccccn2)n1,INKMAJHFDLGSLX,INKMAJHFDLGSLX-UHFFFAOYSA-N,"InChI=1S/C18H15ClFN3O3S2/c1-2-13-17(28(25,26)10-11-6-5-7-12(19)15(11)20)27-18(22-13)23-16(24)14-8-3-4-9-21-14/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,11,10,12,23,26,8,9,13,3,22,15,20,4,18,14,16,27,28,19,21,6,7,17,5/E:(25,26)/CRV:28.6/rA:28CCCCSOOCCCCCCClCFSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;d11;s12;s13;s9d13;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-INLWISZQEVWWKW_on_P41594_WT,Low,ChEMBL30,CHEMBL271273,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3c[nH]nc3)c2)n1,INLWISZQEVWWKW,INLWISZQEVWWKW-UHFFFAOYSA-N,"InChI=1S/C20H13F3N4/c1-13-11-27-12-17(20(21,22)23)8-19(27)18(26-13)6-5-14-3-2-4-15(7-14)16-9-24-25-10-16/h2-4,7-12H,1H3,(H,24,25)","""AuxInfo=1/1/N:1,18,17,19,15,14,26,11,22,25,3,5,2,16,20,21,6,13,12,7,8,9,10,23,24,27,4/E:(9,10)(21,22,23)(24,25)/rA:27CCCNCCCFFFCCCCCCCCCCCCNNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s23;s21d24;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-INMJEQMITVMGFC_on_Q14416_WT,High,ChEMBL30,CHEMBL3221838,CCCn1ccc2c(cccc2NCCCc2ccccc2)c1=O,INMJEQMITVMGFC,INMJEQMITVMGFC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O/c1-2-15-23-16-13-18-19(21(23)24)11-6-12-20(18)22-14-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-13,16,22H,2,7,10,14-15H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,10,15,18,22,16,9,11,6,14,3,5,17,7,8,12,23,13,4,24/E:(4,5)(8,9)/rA:24CCCNCCCCCCCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-INNYBEXRWKVEPM_on_Q14416_WT,High,ChEMBL30,CHEMBL3616852;CHEMBL3616852;CHEMBL3616859;CHEMBL3616859;CHEMBL3616859;CHEMBL3616852,CC(C)c1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,INNYBEXRWKVEPM,INNYBEXRWKVEPM-UHFFFAOYSA-N,"InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)","""AuxInfo=1/1/N:1,3,10,2,9,21,17,16,4,18,13,7,11,12,22,5,6,19,20,14,15,8/E:(1,2)(18,19)(20,21)/rA:22CCCCNNCSCCCNCOOCCCOOCN/rB:s1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619269;CHEMBL3619407;CHEMBL3619407;CHEMBL3619271;CHEMBL3619269;CHEMBL3619271,PMID:26313429,2015.0,PMID:26313429,2015,0,0;1;1;1;0;1,0,1;0;0;0;1;0,0,,=,  6.580;  7.060;  6.620;  7.130;  6.470;  7.780,6.94,0.449,0.201,6.0,6.84,0.275
-INNYBEXRWKVEPM_on_Q14832_WT,High,ChEMBL30,CHEMBL3616859;CHEMBL3616852;CHEMBL3616852;CHEMBL3616859;CHEMBL3616852;CHEMBL3616859,CC(C)c1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,INNYBEXRWKVEPM,INNYBEXRWKVEPM-UHFFFAOYSA-N,"InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)","""AuxInfo=1/1/N:1,3,10,2,9,21,17,16,4,18,13,7,11,12,22,5,6,19,20,14,15,8/E:(1,2)(18,19)(20,21)/rA:22CCCCNNCSCCCNCOOCCCOOCN/rB:s1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619270;CHEMBL3619270;CHEMBL3619412;CHEMBL3619416;CHEMBL3619410;CHEMBL3619410,PMID:26313429,2015.0,PMID:26313429,2015,0;0;1;1;0;0,0;0;0;0;1;1,0,1;1;0;0;0;0,0,,=,  7.080;  6.800;  6.070;  5.630;  6.550;  7.110,6.54,0.537,0.24,6.0,6.675,0.42
-INOYCBNLWYEPSB_on_Q05586_WT,Low,ChEMBL30,CHEMBL305904,CCC1(c2ccccc2)OCC(C2CCCCN2)O1,INOYCBNLWYEPSB,INOYCBNLWYEPSB-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3","""AuxInfo=1/0/N:1,2,7,6,8,15,16,5,9,14,17,11,4,13,12,3,18,10,19/E:(4,5)(8,9)/rA:19CCCCCCCCCOCCCCCCCNO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s12;s13;s14;s15;s16;s13s17;s3s12;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3636333,PMID:26430967,2015.0,PMID:26430967,2015,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-INOYCBNLWYEPSB_on_Q12879_WT,Low,ChEMBL30,CHEMBL305904,CCC1(c2ccccc2)OCC(C2CCCCN2)O1,INOYCBNLWYEPSB,INOYCBNLWYEPSB-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3","""AuxInfo=1/0/N:1,2,7,6,8,15,16,5,9,14,17,11,4,13,12,3,18,10,19/E:(4,5)(8,9)/rA:19CCCCCCCCCOCCCCCCCNO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s12;s13;s14;s15;s16;s13s17;s3s12;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3636333,PMID:26430967,2015.0,PMID:26430967,2015,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-INPSWSQUPKQGLM_on_P18507_WT,Low,ChEMBL30,CHEMBL1078581,Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn-21,INPSWSQUPKQGLM,INPSWSQUPKQGLM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:1,16,3,4,7,13,10,18,2,15,6,5,14,8,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-INPSWSQUPKQGLM_on_P28472_WT,Low,ChEMBL30,CHEMBL1078581,Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn-21,INPSWSQUPKQGLM,INPSWSQUPKQGLM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:1,16,3,4,7,13,10,18,2,15,6,5,14,8,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-INPSWSQUPKQGLM_on_P31644_WT,Low,ChEMBL30,CHEMBL1078581,Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn-21,INPSWSQUPKQGLM,INPSWSQUPKQGLM-UHFFFAOYSA-N,"InChI=1S/C14H13N5/c1-9-3-4-12-11(5-9)14-15-7-17-19(14)6-13-10(2)16-8-18(12)13/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:1,16,3,4,7,13,10,18,2,15,6,5,14,8,9,17,11,19,12/rA:19CCCCCCCCNCNNCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-INTBVGDNRFKKFQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16124095;CHEMBL1083034,O=C(C1CCC1)N1CCCCC1c1nc(-c2cc(Cl)ccc2)no1,INTBVGDNRFKKFQ,INTBVGDNRFKKFQ-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2","""AuxInfo=1/0/N:10,9,5,21,4,6,22,20,11,8,17,3,16,18,12,15,13,2,19,14,23,7,1,24/E:(5,6)/rA:24OCCCCCNCCCCCCNCCCCClCCCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s7s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:484700;CHEMBL1118810,PMID:20483612,2010.0,PubChemAID:484700;PMID:20483612,2010,0,0,0,0;1,1;0,,=,  6.690;  6.690,6.69,0.0,0.0,2.0,6.69,0.0
-INUWCYRXEFNQIP_on_P41594_WT,High,ChEMBL30,CHEMBL402733,CNC(=O)c1cn2cc(C)nc(C#Cc3cscc3)c2c1,INUWCYRXEFNQIP,INUWCYRXEFNQIP-UHFFFAOYSA-N,"InChI=1S/C16H13N3OS/c1-11-8-19-9-13(16(20)17-2)7-15(19)14(18-11)4-3-12-5-6-21-10-12/h5-10H,1-2H3,(H,17,20)","""AuxInfo=1/1/N:10,1,14,13,19,18,21,8,6,16,9,15,5,12,20,3,2,11,7,4,17/rA:21CNCOCCNCCCNCCCCCSCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;t13;s14;d15;s16;s17;s15d18;s7s12;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-INXYUZGZBZNQGF_on_P41594_WT,High,ChEMBL30,CHEMBL456823,Cc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ncccc1F,INXYUZGZBZNQGF,INXYUZGZBZNQGF-UHFFFAOYSA-N,"InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3","""AuxInfo=1/0/N:1,12,13,14,23,24,5,16,22,6,15,2,4,25,3,20,8,11,26,21,17,18,7,19,9,10/E:(2,3,4)/rA:26CCCCCCNCOOCCCCCCNNNCNCCCCF/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s11;s11;s11;s7;s4s15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-INXYUZGZBZNQGF_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL456823;44588464,Cc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ncccc1F,INXYUZGZBZNQGF,INXYUZGZBZNQGF-UHFFFAOYSA-N,"InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3","""AuxInfo=1/0/N:1,12,13,14,23,24,5,16,22,6,15,2,4,25,3,20,8,11,26,21,17,18,7,19,9,10/E:(2,3,4)/rA:26CCCCCCNCOOCCCCCCNNNCNCCCCF/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s11;s11;s11;s7;s4s15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406;PubChemAID:389921,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389921,2008;2010,1;0,0,0,0,0;1,,=,  8.150;  8.155,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-INZDUTDKKFTEFM_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830902;46836566,Fc1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cc1,INZDUTDKKFTEFM,INZDUTDKKFTEFM-UHFFFAOYSA-N,"InChI=1S/C14H12FN5S/c15-8-4-5-12(16-6-8)18-14-19-13-9-7-17-20-10(9)2-1-3-11(13)21-14/h4-7H,1-3H2,(H,17,20)(H,16,18,19)","""AuxInfo=1/1/N:12,13,11,21,20,3,16,2,15,14,10,5,9,7,1,4,17,6,8,18,19/rA:21FCCNCNCNCCCCCCCCNNSCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  6.120;  6.125,6.122999999999999,0.002,0.002,2.0,6.122999999999999,0.002
-INZYESLQJQYEFG_on_P31644_WT,High,ChEMBL30,CHEMBL3676499,Cc1c(COc2ccc(C(=O)NC(C)(C)C)cn2)c(-c2ccccc2)no1,INZYESLQJQYEFG,INZYESLQJQYEFG-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-14-17(19(24-27-14)15-8-6-5-7-9-15)13-26-18-11-10-16(12-22-18)20(25)23-21(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)","""AuxInfo=1/1/N:1,14,15,16,23,22,24,21,25,8,7,17,4,2,20,9,3,6,19,10,13,18,12,26,11,5,27/E:(2,3,4)(6,7)(8,9)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-IOCYQQQCJYMWDT_on_Q13255_WT,High,ChEMBL30,CHEMBL175643,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1OC,IOCYQQQCJYMWDT,IOCYQQQCJYMWDT-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3","""AuxInfo=1/0/N:1,17,24,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,22,21,11,16,23/E:(5,6)(8,9)/rA:24CCCCCCCCCCOCCCCOCCCCNCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL828343;CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  7.700;  7.030,7.365,0.335,0.335,2.0,7.365,0.335
-IOHRVXCBCFUKHA_on_P14867_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822162,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-IOHRVXCBCFUKHA_on_P18507_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822162;CHEMBL824294;CHEMBL823761;CHEMBL823754;CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  5.440;  4.530;  4.460;  4.900;  4.460;  4.900;  4.530;  5.440,4.832,0.389,0.147,8.0,4.715,0.22
-IOHRVXCBCFUKHA_on_P28472_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL678329;CHEMBL824294;CHEMBL822162;CHEMBL823761;CHEMBL823754,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158,2000;2000;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  4.460;  4.900;  4.530;  5.440;  4.530;  5.440;  4.460;  4.900,4.832,0.389,0.147,8.0,4.715,0.22
-IOHRVXCBCFUKHA_on_P31644_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL823754;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.900;  4.900,4.9,0.0,0.0,2.0,4.9,0.0
-IOHRVXCBCFUKHA_on_P34903_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.460;  4.460,4.46,0.0,0.0,2.0,4.46,0.0
-IOHRVXCBCFUKHA_on_P47869_WT,Low,ChEMBL30,CHEMBL314788,CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1,IOHRVXCBCFUKHA,IOHRVXCBCFUKHA-UHFFFAOYSA-N,"InChI=1S/C24H32N2O3/c1-4-7-8-9-10-11-14-29-17-12-13-20-19(15-17)22-18(5-2)23(24(27)28-6-3)25-16-21(22)26-20/h12-13,15-16,26H,4-11,14H2,1-3H3","""AuxInfo=1/0/N:1,19,25,2,18,24,3,4,5,6,7,11,12,8,29,27,10,17,28,13,15,16,20,21,26,14,22,23,9/rA:29CCCCCCCCOCCCCNCCCCCCCOOCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s18;d17;s20;d21;s21;s23;s24;s20;s15d26;s13s16;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.530;  4.530,4.53,0.0,0.0,2.0,4.53,0.0
-IOIBVLAFLPJENL_on_P41594_WT,High,ChEMBL30,CHEMBL196574,CC(C)(C)OC(=O)N1CC=C(C#Cc2ncccc2)CC1,IOIBVLAFLPJENL,IOIBVLAFLPJENL-UHFFFAOYSA-N,"InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-6,9,11H,10,12-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,17,19,12,13,10,20,16,9,21,11,14,6,2,15,8,7,5/E:(1,2,3)/rA:21CCCCOCONCCCCCCNCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-IOJYPCUXRDVJDC_on_P41594_WT,High,ChEMBL30,CHEMBL2071577,COc1ccccc1N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O,IOJYPCUXRDVJDC,IOJYPCUXRDVJDC-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-25-16-8-3-2-7-15(16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-5-4-6-14(20)9-12/h2-9,13H,10-11H2,1H3","""AuxInfo=1/0/N:1,6,5,17,16,18,7,4,21,24,10,15,11,19,8,3,25,14,12,20,13,22,9,26,2,23/rA:26COCCCCCCNCCCNCCCCCCClCNOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s11;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-IOOFWYZPFLWWHC_on_P41594_WT,High,ChEMBL30,CHEMBL3702460,COc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,IOOFWYZPFLWWHC,IOOFWYZPFLWWHC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O2/c1-32-24-8-7-17(12-27-24)18-3-2-4-20-19(18)9-10-30-22(20)11-23(26-13-25(30)31)29-14-21(28-15-29)16-5-6-16/h2-4,7-8,11-12,14-16H,5-6,9-10,13H2,1H3","""AuxInfo=1/0/N:1,9,8,10,26,27,5,4,13,14,29,31,18,28,22,25,6,7,12,11,24,30,20,3,16,19,32,23,21,15,17,2/E:(5,6)/rA:32COCCCCCCCCCCCCNCOCNCNCNCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s16;s18;w?19;s20;s21;d22;s23;s24;s25;s25s26;s21d24;s20;s11s15w?29;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-IOOFWYZPFLWWHC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702460,COc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,IOOFWYZPFLWWHC,IOOFWYZPFLWWHC-UHFFFAOYSA-N,"InChI=1S/C25H23N5O2/c1-32-24-8-7-17(12-27-24)18-3-2-4-20-19(18)9-10-30-22(20)11-23(26-13-25(30)31)29-14-21(28-15-29)16-5-6-16/h2-4,7-8,11-12,14-16H,5-6,9-10,13H2,1H3","""AuxInfo=1/0/N:1,9,8,10,26,27,5,4,13,14,29,31,18,28,22,25,6,7,12,11,24,30,20,3,16,19,32,23,21,15,17,2/E:(5,6)/rA:32COCCCCCCCCCCCCNCOCNCNCNCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s16;s18;w?19;s20;s21;d22;s23;s24;s25;s25s26;s21d24;s20;s11s15w?29;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-IOOGUHXPDYRXFJ_on_O00591_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_O14764_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P14867_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P18505_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P18507_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P28472_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P31644_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P34903_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P47869_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P47870_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P48169_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_P78334_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.540;  6.820,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOOGUHXPDYRXFJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL1196063,N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1,IOOGUHXPDYRXFJ,IOOGUHXPDYRXFJ-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4OS/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11/h1-7,16H,8H2,(H,18,20)","""AuxInfo=1/1/N:7,12,8,11,4,3,17,15,6,9,16,5,2,18,10,1,13,20,14,19,21/E:(1,2)(3,4)/rA:21NCCCCCCCCClCCNNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;d16;s17;s18;d18;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.820;  7.540,7.18,0.36,0.36,2.0,7.18,0.36
-IOORCVYXLWGYOB_on_P41594_WT,High,ChEMBL30,CHEMBL3735872,CC(C)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2,IOORCVYXLWGYOB,IOORCVYXLWGYOB-UHFFFAOYSA-N,"InChI=1S/C17H18FN5O/c1-10(2)23-15-8-5-12(9-14(15)20-22-23)17-19-16(21-24-17)11-3-6-13(18)7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,21,10,17,20,9,24,2,15,11,18,7,8,14,12,19,13,6,22,5,4,23/E:(1,2)(3,4)(6,7)/rA:24CCCNNNCCCCCCNCCCCCFCCNOC/rB:s1;s2;s2;s4;d5;s6;s4d7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s12s22;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-IOSGOHFTBLNTCF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3929070,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)c4ncco4)CC3C1)cc2,IOSGOHFTBLNTCF,IOSGOHFTBLNTCF-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-18-6-5-17(25-19(18)26(4)22(28)30)14-9-15-11-27(12-16(15)10-14)21(29)20-24-7-8-31-20/h5-9,15-16H,10-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,30,31,24,25,16,29,18,27,6,15,17,28,14,11,12,22,20,3,7,23,13,2,19,5,21,4,26/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCNCOCNCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s19;d20;s20;d22;s23;d24;s22s25;s19;s17s27;s15s28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.750;  7.260,7.505,0.245,0.245,2.0,7.505,0.245
-IOWMKBFJCNLRTC_on_Q05586_WT,Low,ChEMBL30,CHEMBL171804;CHEMBL171804;CHEMBL171804;CHEMBL170154;CHEMBL170154,CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,IOWMKBFJCNLRTC,IOWMKBFJCNLRTC-UHFFFAOYSA-N,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3","""AuxInfo=1/0/N:1,3,9,24,29,7,16,15,11,12,6,21,26,22,27,18,2,8,17,19,14,10,13,25,4,23,28,20,5/E:(1,2)/rA:29CCCCOCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;s4;s6;s7;s8;s8;s10;s11;s12;s13;s14;s15;w?16;s17;s18;s19;s19;s21;s17s22;s23;s14s23;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4408252;CHEMBL4408248;CHEMBL4408250;CHEMBL4408248;CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  6.520;  6.820;  6.280;  7.430;  7.260,6.862,0.433,0.217,5.0,6.82,0.44
-IOWMKBFJCNLRTC_on_Q12879_WT,Low,ChEMBL30,CHEMBL171804;CHEMBL170154;CHEMBL171804,CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,IOWMKBFJCNLRTC,IOWMKBFJCNLRTC-UHFFFAOYSA-N,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3","""AuxInfo=1/0/N:1,3,9,24,29,7,16,15,11,12,6,21,26,22,27,18,2,8,17,19,14,10,13,25,4,23,28,20,5/E:(1,2)/rA:29CCCCOCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;s4;s6;s7;s8;s8;s10;s11;s12;s13;s14;s15;w?16;s17;s18;s19;s19;s21;s17s22;s23;s14s23;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4408252;CHEMBL4408248;CHEMBL4408248,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  6.520;  7.430;  6.820,6.922999999999999,0.379,0.268,3.0,6.82,0.3
-IOWMKBFJCNLRTC_on_Q13224_WT,Low,ChEMBL30,CHEMBL170154;CHEMBL171804,CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,IOWMKBFJCNLRTC,IOWMKBFJCNLRTC-UHFFFAOYSA-N,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3","""AuxInfo=1/0/N:1,3,9,24,29,7,16,15,11,12,6,21,26,22,27,18,2,8,17,19,14,10,13,25,4,23,28,20,5/E:(1,2)/rA:29CCCCOCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;s4;s6;s7;s8;s8;s10;s11;s12;s13;s14;s15;w?16;s17;s18;s19;s19;s21;s17s22;s23;s14s23;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  7.260;  6.280,6.77,0.49,0.49,2.0,6.77,0.49
-IOWYVSLUQBIBKT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3920531,CCc1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)sc(NC(=O)c2ccccn2)n1,IOWYVSLUQBIBKT,IOWYVSLUQBIBKT-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O3S2/c1-2-14-17(28(25,26)10-11-12(19)6-5-7-13(11)20)27-18(22-14)23-16(24)15-8-3-4-9-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,13,12,14,23,26,8,9,10,15,3,22,20,4,18,11,16,27,28,19,21,6,7,17,5/E:(6,7)(12,13)(19,20)(25,26)/CRV:28.6/rA:28CCCCSOOCCCClCCCCClSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;s10;d12;s13;s9d14;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-IPARAPASXHQWAX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3960595,COC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C,IPARAPASXHQWAX,IPARAPASXHQWAX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3/c1-20(2)17(24-3)14-22(19(23)25-20)18-12-11-16(13-21-18)10-9-15-7-5-4-6-8-15/h4-8,11-13,17H,14H2,1-3H3","""AuxInfo=1/0/N:24,25,1,15,14,16,13,17,11,10,8,7,18,4,12,9,3,6,20,23,19,5,21,2,22/E:(1,2)(5,6)(7,8)/rA:25COCCNCCCCCCCCCCCCCNCOOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s20;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-IPBXYXQZSUGQTK_on_P14867_WT,Low,ChEMBL30,CHEMBL204577,Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1,IPBXYXQZSUGQTK,IPBXYXQZSUGQTK-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H,"""AuxInfo=1/0/N:16,17,23,22,15,11,8,3,24,28,10,9,2,12,20,18,4,7,13,6,1,21,19,5,14,27,25,26/rA:28FCCCFCCCCCCCCNCCCCFCFCCCNNNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;s20;s10d22;d9;s24;s7d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-IPBXYXQZSUGQTK_on_P18507_WT,Low,ChEMBL30,CHEMBL204577,Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1,IPBXYXQZSUGQTK,IPBXYXQZSUGQTK-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H,"""AuxInfo=1/0/N:16,17,23,22,15,11,8,3,24,28,10,9,2,12,20,18,4,7,13,6,1,21,19,5,14,27,25,26/rA:28FCCCFCCCCCCCCNCCCCFCFCCCNNNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;s20;s10d22;d9;s24;s7d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865018;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.550;  9.300;  8.700,8.85,0.324,0.22899999999999998,3.0,8.7,0.15
-IPBXYXQZSUGQTK_on_P28472_WT,Low,ChEMBL30,CHEMBL204577,Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1,IPBXYXQZSUGQTK,IPBXYXQZSUGQTK-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H,"""AuxInfo=1/0/N:16,17,23,22,15,11,8,3,24,28,10,9,2,12,20,18,4,7,13,6,1,21,19,5,14,27,25,26/rA:28FCCCFCCCCCCCCNCCCCFCFCCCNNNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;s20;s10d22;d9;s24;s7d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865018;CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300;  8.550;  8.700,8.85,0.324,0.22899999999999998,3.0,8.7,0.15
-IPBXYXQZSUGQTK_on_P31644_WT,Low,ChEMBL30,CHEMBL204577,Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1,IPBXYXQZSUGQTK,IPBXYXQZSUGQTK-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H,"""AuxInfo=1/0/N:16,17,23,22,15,11,8,3,24,28,10,9,2,12,20,18,4,7,13,6,1,21,19,5,14,27,25,26/rA:28FCCCFCCCCCCCCNCCCCFCFCCCNNNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;s20;s10d22;d9;s24;s7d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-IPBXYXQZSUGQTK_on_P34903_WT,Low,ChEMBL30,CHEMBL204577,Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1,IPBXYXQZSUGQTK,IPBXYXQZSUGQTK-UHFFFAOYSA-N,InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H,"""AuxInfo=1/0/N:16,17,23,22,15,11,8,3,24,28,10,9,2,12,20,18,4,7,13,6,1,21,19,5,14,27,25,26/rA:28FCCCFCCCCCCCCNCCCCFCFCCCNNNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;s20;s10d22;d9;s24;s7d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-IPCHEUUNGBEQKN_on_O15399_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_O60391_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_Q05586_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_Q12879_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_Q13224_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCHEUUNGBEQKN_on_Q14957_WT,Low,ChEMBL30,CHEMBL1188850,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1,IPCHEUUNGBEQKN,IPCHEUUNGBEQKN-UHFFFAOYSA-N,"InChI=1S/C16H15N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-IPCYZQQFECEHLI_on_Q14416_WT,High,ChEMBL30,CHEMBL3937907,Cc1c2C(=O)N(Cc3ccc(OC(F)(F)F)cc3)Cc2cc(-c2nc(CN3CCNCC3)no2)c1,IPCYZQQFECEHLI,IPCYZQQFECEHLI-UHFFFAOYSA-N,"InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3","""AuxInfo=1/0/N:1,9,18,10,17,29,31,28,32,35,21,7,19,26,2,8,22,20,11,25,3,23,4,13,14,15,16,30,24,33,27,6,5,12,34/E:(2,3)(4,5)(6,7)(8,9)(25,26,27)/rA:35CCCCONCCCCCOCFFFCCCCCCCNCCNCCNCCNOC/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s13;s13;s11;s8d17;s6;s3s19;d20;s21;s22;d23;s24;s25;s26;s27;s28;s29;s30;s27s31;d25;s23s33;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844;CHEMBL4040507;CHEMBL4040508;CHEMBL4040509,PMID:27579727,2016.0,PMID:27579727;PMID:28704052;PMID:28704052;PMID:28704052,2016;2017;2017;2017,0,1;0;1;0,0;1;0;0,0;0;0;1,0,,=,  6.710;  6.220;  6.250;  6.430,6.402,0.195,0.113,4.0,6.34,0.105
-IPDVTRZYAHHNMH_on_P41594_WT,High,ChEMBL30,CHEMBL370784,CCOc1cc(-c2cc(F)ccc2)cnc1Nc1nc(C)ccc1,IPDVTRZYAHHNMH,IPDVTRZYAHHNMH-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-3-24-17-11-15(14-7-5-8-16(20)10-14)12-21-19(17)23-18-9-4-6-13(2)22-18/h4-12H,3H2,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,21,2,23,12,22,13,11,24,8,5,14,20,7,6,9,4,18,16,10,15,19,17,3/rA:24CCOCCCCCCFCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;s16;s17;d18;s19;s20;d20;s22;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-IPEQYLWHCRAOTC_on_P14867_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-IPEQYLWHCRAOTC_on_P18507_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.170;  7.750;  9.060;  7.280,8.065,0.655,0.37799999999999995,4.0,7.96,0.445
-IPEQYLWHCRAOTC_on_P28472_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750;  7.280;  9.060;  8.170,8.065,0.655,0.37799999999999995,4.0,7.96,0.445
-IPEQYLWHCRAOTC_on_P31644_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-IPEQYLWHCRAOTC_on_P34903_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-IPEQYLWHCRAOTC_on_P47869_WT,Low,ChEMBL30,CHEMBL361340,c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1,IPEQYLWHCRAOTC,IPEQYLWHCRAOTC-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)","""AuxInfo=1/1/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,18,6,7,19,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/rA:28CCCCCNNCCCCOCCNCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-IPFHODWDKARDEP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3986736,CC1(C)CCC(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C1,IPFHODWDKARDEP,IPFHODWDKARDEP-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-20(2)11-10-19(24)23(14-20)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,14,13,11,10,5,4,21,22,24,15,12,19,9,6,2,20,23,8,7/E:(1,2)/rA:24CCCCCCONCCCCCCCCCCCFCCNC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s19;s15d19;s12;s9d22;s2s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-IPHSQMSRIWZULE_on_O00591_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_O14764_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P14867_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P18505_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P18507_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P28472_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P31644_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P34903_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P47869_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P47870_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P48169_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_P78334_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_Q16445_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPHSQMSRIWZULE_on_Q99928_WT,Low,ChEMBL30,CHEMBL54341,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2,IPHSQMSRIWZULE,IPHSQMSRIWZULE-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IPIYGYRWMPIQNA_on_O15399_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_O60391_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_Q05586_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_Q12879_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_Q13224_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPIYGYRWMPIQNA_on_Q14957_WT,Low,ChEMBL30,CHEMBL41340,Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1,IPIYGYRWMPIQNA,IPIYGYRWMPIQNA-UHFFFAOYSA-N,"InChI=1S/C11H10N2O4/c1-5-3-6(2)8-7(4-5)12-11(15)9(10(8)14)13(16)17/h3-4H,1-2H3,(H2,12,14,15)","""AuxInfo=1/1/N:1,5,3,17,2,4,16,6,9,7,13,15,10,8,14,11,12/E:(16,17)/CRV:13.5/rA:17CCCCCCCOCN+OO-CONCC/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;s9;s13;d13;s6s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IPJHLASKULRGRM_on_Q14833_WT,High,ChEMBL30,CHEMBL563423,O=C(Nc1cc(C(F)(F)F)c(Cl)cc1)c1ccccn1,IPJHLASKULRGRM,IPJHLASKULRGRM-UHFFFAOYSA-N,"InChI=1S/C13H8ClF3N2O/c14-10-5-4-8(7-9(10)13(15,16)17)19-12(20)11-3-1-2-6-18-11/h1-7H,(H,19,20)","""AuxInfo=1/1/N:17,18,16,14,13,19,5,4,6,11,15,2,7,12,8,9,10,20,3,1/E:(15,16,17)/rA:20OCNCCCCFFFCClCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s11;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-IPMMMSQQYJZTAG_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11639176;CHEMBL223543,CCc1ccc(-n2cnc3c(sc4c3c(N(C)CC)ccn4)c2=O)cc1,IPMMMSQQYJZTAG,IPMMMSQQYJZTAG-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-4-13-6-8-14(9-7-13)24-12-22-17-16-15(23(3)5-2)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,19,17,2,18,4,26,5,25,20,21,8,3,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(6,7)(8,9)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  5.590;  5.590,5.59,0.0,0.0,2.0,5.59,0.0
-IPMMMSQQYJZTAG_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11639176;CHEMBL223543,CCc1ccc(-n2cnc3c(sc4c3c(N(C)CC)ccn4)c2=O)cc1,IPMMMSQQYJZTAG,IPMMMSQQYJZTAG-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-4-13-6-8-14(9-7-13)24-12-22-17-16-15(23(3)5-2)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,19,17,2,18,4,26,5,25,20,21,8,3,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(6,7)(8,9)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  7.432;  7.430,7.431,0.001,0.001,2.0,7.431,0.001
-IPMZGTIZOICFFI_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647582,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(C#N)c1,IPMZGTIZOICFFI,IPMZGTIZOICFFI-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O2S/c1-4-32(30,31)17-6-7-18(16(9-17)11-25)19-10-15(5-8-21(19)24)20-12-27-28-23-22(20)26-13-29(23)14(2)3/h5-10,12-14H,4H2,1-3H3","""AuxInfo=1/0/N:1,23,24,2,25,7,8,26,32,11,30,14,20,22,12,29,6,9,10,13,27,18,17,28,31,19,15,16,21,4,5,3/E:(2,3)(30,31)/CRV:32.6/rA:32CCSOOCCCCCCCCCNNCCNCNCCCCCCFCCNC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s29;t30;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-IPNBIDASHDPKHN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3902679,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1,IPNBIDASHDPKHN,IPNBIDASHDPKHN-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31)","""AuxInfo=1/1/N:16,25,26,8,13,9,12,15,29,5,27,18,20,17,7,24,21,10,14,6,30,4,22,2,11,1,28,31,19,23,3/E:(2,3)(4,5)(6,7)/rA:31NCOCCCCCCCFCCCCCCCNCCCOCCCCNCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;s22;s22;s24;s24s25;s21;s19d27;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-IPOQOYGPOKMCMV_on_O00591_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_O14764_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P14867_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P18505_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P18507_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P28472_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P31644_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P34903_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P41594_WT,High,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  7.890;  7.550,7.72,0.17,0.17,2.0,7.72,0.17
-IPOQOYGPOKMCMV_on_P47869_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P47870_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P48169_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_P78334_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPOQOYGPOKMCMV_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410215,Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1,IPOQOYGPOKMCMV,IPOQOYGPOKMCMV-UHFFFAOYSA-N,"InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3","""AuxInfo=1/0/N:1,17,13,12,14,11,15,5,6,19,20,3,8,2,16,4,7,10,21,18,9/E:(4,5)(6,7)/rA:21CCCCCCCCNCCCCCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s7d16;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IPPGIHDJCAGMHJ_on_O15399_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_O60391_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPPGIHDJCAGMHJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL79164,Cc1c(N=C(N)NC2CCCCC2)cccc1,IPPGIHDJCAGMHJ,IPPGIHDJCAGMHJ-UHFFFAOYSA-N,"InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,11,10,12,16,15,17,9,13,14,2,8,3,5,6,7,4/E:(3,4)(8,9)/rA:17CCCNCNNCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IPRPEMNPDVAAOU_on_P18507_WT,Low,ChEMBL30,CHEMBL1783269,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,IPRPEMNPDVAAOU,IPRPEMNPDVAAOU-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,12,22,24,11,13,4,5,29,19,21,3,10,14,9,18,6,17,15,28,25,16,27,20,26,2,7/E:(5,6)/rA:29COCCCCOCCCCCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s21s23;s17s20;d25;s18;s10s14d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-IPRPEMNPDVAAOU_on_P28472_WT,Low,ChEMBL30,CHEMBL1783269,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,IPRPEMNPDVAAOU,IPRPEMNPDVAAOU-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,12,22,24,11,13,4,5,29,19,21,3,10,14,9,18,6,17,15,28,25,16,27,20,26,2,7/E:(5,6)/rA:29COCCCCOCCCCCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s21s23;s17s20;d25;s18;s10s14d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-IPRPEMNPDVAAOU_on_P47869_WT,Low,ChEMBL30,CHEMBL1783269,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1,IPRPEMNPDVAAOU,IPRPEMNPDVAAOU-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-11,13H,3,5-6,12H2,1-2H3,(H2,24,25)","""AuxInfo=1/1/N:1,8,23,12,22,24,11,13,4,5,29,19,21,3,10,14,9,18,6,17,15,28,25,16,27,20,26,2,7/E:(5,6)/rA:29COCCCCOCCCCCCCCNCCCNCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s21s23;s17s20;d25;s18;s10s14d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-IPSNRKIXJQOHNO_on_O14764_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-IPSNRKIXJQOHNO_on_P14867_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-IPSNRKIXJQOHNO_on_P18507_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-IPSNRKIXJQOHNO_on_P28472_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-IPSNRKIXJQOHNO_on_P47870_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-IPSNRKIXJQOHNO_on_P48169_WT,Low,ChEMBL30,CHEMBL4073780,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1,IPSNRKIXJQOHNO,IPSNRKIXJQOHNO-UHFFFAOYSA-N,"InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,22,4,13,21,30,24,19,7,23,6,11,10,29,16,17,2,14,25,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNCCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-IPTIKQIFOOZKAT_on_Q14833_WT,Low,ChEMBL30,CHEMBL482080,COC(=O)CCC(CC(N)C(=O)O)C(=O)O,IPTIKQIFOOZKAT,IPTIKQIFOOZKAT-UHFFFAOYSA-N,"InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,6,5,8,7,9,3,14,11,10,4,15,16,12,13,2/E:(12,13)(14,15)/rA:16COCOCCCCCNCOOCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s9;d11;s11;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1013093,PMID:18578478,2008.0,PMID:18578478,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPTWXMISVLTMAV_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,25002940;CHEMBL2029821,CCCCn1ccc(-c2cc(F)c(Oc3ccnc(C)c3)cc2)c(C#N)c1=O,IPTWXMISVLTMAV,IPTWXMISVLTMAV-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3","""AuxInfo=1/0/N:1,20,2,3,23,22,16,7,17,4,6,21,10,25,19,9,15,8,24,11,13,27,12,26,18,5,28,14/rA:28CCCCNCCCCCCFCOCCCNCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;d15;s16;d17;s18;s19;s15d19;s13;s9d22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  6.500;  6.500,6.5,0.0,0.0,2.0,6.5,0.0
-IPXNFQNXWOFDQD_on_P14867_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-IPXNFQNXWOFDQD_on_P18507_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.660;  6.800;  8.000;  7.050,7.127000000000001,0.523,0.302,4.0,6.925,0.195
-IPXNFQNXWOFDQD_on_P28472_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829006;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.050;  6.660;  6.800;  8.000,7.127999999999999,0.523,0.302,4.0,6.925,0.195
-IPXNFQNXWOFDQD_on_P31644_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-IPXNFQNXWOFDQD_on_P34903_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-IPXNFQNXWOFDQD_on_P47869_WT,Low,ChEMBL30,CHEMBL360036,CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,IPXNFQNXWOFDQD,IPXNFQNXWOFDQD-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-25(2)16(27)12-28-21-18-14-10-8-13(9-11-14)17(18)20-23-22-19(26(20)24-21)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,25,27,24,28,6,26,23,12,4,21,22,11,20,8,18,19,9,2,10,5,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CNCCOCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-IPYBPKRPTPQPRI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106787,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1,IPYBPKRPTPQPRI,IPYBPKRPTPQPRI-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-12-8-16(9-13(2)27-12)20-18-6-7-30-14(3)11-29(18)21(28-20)15-4-5-19(17(23)10-15)31-22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,2,29,10,15,4,24,6,18,5,14,20,25,21,22,23,31,27,13,9,19/E:(1,2)(8,9)(12,13)(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s15d24;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-IPZVFUNJVYGZIN_on_O00591_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_O14764_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P14867_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P18505_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P18507_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P28472_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P31644_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P34903_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P47869_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P47870_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P48169_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_P78334_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_Q16445_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IPZVFUNJVYGZIN_on_Q99928_WT,Low,ChEMBL30,CHEMBL282068,Nc1cccc(CC(=O)O)n1,IPZVFUNJVYGZIN,IPZVFUNJVYGZIN-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,5,3,7,6,2,8,1,11,9,10/E:(10,11)/rA:11NCCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s2d6;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-IQBMPJYFQVSHLG_on_Q13224_WT,High,ChEMBL30,CHEMBL218713,Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,IQBMPJYFQVSHLG,IQBMPJYFQVSHLG-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-15-3-5-17(6-4-15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,19,3,25,4,24,12,22,18,20,11,23,14,6,2,13,5,16,8,17,21,15,10,9,7/E:(3,4)(5,6)(7,8)(9,10)(11,12)(20,21)/rA:25CCCCCCOCONCCCCNCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;CHEMBL856828,PMID:17249648,2007.0,PMID:17249648,2007,0,0;1,0,1;0,0,,=,  8.470;  8.250,8.36,0.11,0.11,2.0,8.36,0.11
-IQBVDNRATVHASP_on_Q13224_WT,Medium,ChEMBL30,CHEMBL349727,COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1,IQBVDNRATVHASP,IQBVDNRATVHASP-UHFFFAOYSA-N,"InChI=1S/C16H15F3N2O2/c1-22-14-4-2-3-11(9-14)10-21-15(20)12-5-7-13(8-6-12)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,5,6,4,13,22,14,21,23,8,7,12,15,3,10,17,18,19,20,11,9,2,16/E:(5,6)(7,8)(17,18,19)/rA:23COCCCCCCNCNCCCCOCFFFCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;w?9;s10;s10;d12;s13;d14;s15;s16;s17;s17;s17;s15;s12d21;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  8.010;  7.640,7.825,0.185,0.185,2.0,7.825,0.185
-IQCAGIZJOKVZQI_on_P41594_WT,High,ChEMBL30,CHEMBL3978950;CHEMBL3906351;CHEMBL3906351;CHEMBL3978950,CC1(O)CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1,IQCAGIZJOKVZQI,IQCAGIZJOKVZQI-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O3/c1-21(26)9-14(10-21)6-5-13-7-16(12-23-11-13)18-19(27-20(25)24-18)15-3-2-4-17(22)8-15/h2-4,7-8,11-12,14,18-19,26H,9-10H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,21,20,22,7,6,26,25,4,27,9,11,8,5,19,12,23,13,18,15,2,24,10,14,16,3,17/E:(9,10)/rA:27CCOCCCCCCNCCCNCOOCCCCCCFCCC/rB:s1;s2;s2;s4;s5;t6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s15;s13s17;s18;d19;s20;d21;s22;s23;s19d23;s8d12;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869979;CHEMBL3869980;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;1;0;0,0,0;0;1;1,0,,=,  6.480;  6.520;  6.310;  5.720,6.257999999999999,0.32,0.185,4.0,6.395,0.105
-IQGDPAUWLXNPAG_on_P14867_WT,Low,ChEMBL30,CHEMBL229534,CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)=C(O)c1ccccc1Cl,IQGDPAUWLXNPAG,IQGDPAUWLXNPAG-UHFFFAOYSA-N,"InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,24H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,3,21,22,20,23,12,15,11,16,8,2,13,10,19,7,24,17,5,14,25,9,4,18,6/E:(1,2)(7,8)(9,10)/rA:25CCCNCOCCNCCCCClCCCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s13;s10d15;w?7;s17;s17;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL888754,PMID:17571865,2007.0,PMID:17571865,2007,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-IQGDPAUWLXNPAG_on_P18505_WT,Low,ChEMBL30,CHEMBL229534,CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)=C(O)c1ccccc1Cl,IQGDPAUWLXNPAG,IQGDPAUWLXNPAG-UHFFFAOYSA-N,"InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,24H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,3,21,22,20,23,12,15,11,16,8,2,13,10,19,7,24,17,5,14,25,9,4,18,6/E:(1,2)(7,8)(9,10)/rA:25CCCNCOCCNCCCCClCCCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s13;s10d15;w?7;s17;s17;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL888754,PMID:17571865,2007.0,PMID:17571865,2007,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-IQGDPAUWLXNPAG_on_P18507_WT,Low,ChEMBL30,CHEMBL229534,CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)=C(O)c1ccccc1Cl,IQGDPAUWLXNPAG,IQGDPAUWLXNPAG-UHFFFAOYSA-N,"InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,24H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,3,21,22,20,23,12,15,11,16,8,2,13,10,19,7,24,17,5,14,25,9,4,18,6/E:(1,2)(7,8)(9,10)/rA:25CCCNCOCCNCCCCClCCCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w?8;s9;d10;s11;d12;s13;s13;s10d15;w?7;s17;s17;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL888754,PMID:17571865,2007.0,PMID:17571865,2007,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-IQKMZIHHJYCEKH_on_P14867_WT,Low,ChEMBL30,CHEMBL383677,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1,IQKMZIHHJYCEKH,IQKMZIHHJYCEKH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,28,16,27,12,20,18,9,11,19,14,13,22,10,5,7,2,23,21,17,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-IQKMZIHHJYCEKH_on_P18507_WT,Low,ChEMBL30,CHEMBL383677,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1,IQKMZIHHJYCEKH,IQKMZIHHJYCEKH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,28,16,27,12,20,18,9,11,19,14,13,22,10,5,7,2,23,21,17,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863774;CHEMBL863772;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.550;  9.220;  9.850,9.54,0.257,0.182,3.0,9.55,0.3
-IQKMZIHHJYCEKH_on_P28472_WT,Low,ChEMBL30,CHEMBL383677,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1,IQKMZIHHJYCEKH,IQKMZIHHJYCEKH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,28,16,27,12,20,18,9,11,19,14,13,22,10,5,7,2,23,21,17,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.220;  9.550;  9.850,9.54,0.257,0.182,3.0,9.55,0.3
-IQKMZIHHJYCEKH_on_P31644_WT,Low,ChEMBL30,CHEMBL383677,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1,IQKMZIHHJYCEKH,IQKMZIHHJYCEKH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,28,16,27,12,20,18,9,11,19,14,13,22,10,5,7,2,23,21,17,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-IQKMZIHHJYCEKH_on_P34903_WT,Low,ChEMBL30,CHEMBL383677,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1,IQKMZIHHJYCEKH,IQKMZIHHJYCEKH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,28,16,27,12,20,18,9,11,19,14,13,22,10,5,7,2,23,21,17,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.550,9.55,0.0,0.0,1.0,9.55,0.0
-IQNDVWAKBUZBNY_on_Q13255_WT,High,ChEMBL30,CHEMBL3634447,Cc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1,IQNDVWAKBUZBNY,IQNDVWAKBUZBNY-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-17-8-7-14(11-13(17)2)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:9,1,22,23,21,24,14,13,10,11,27,8,2,15,20,19,3,7,5,25,17,4,16,6,26,18,12/E:(3,4)(5,6)(15,16)(20,21)(25,26)/rA:27CCCNCOCCCCCOCCCNCOCCCCCCCOC/rB:s1;d2;s3;s4;d5;s5;d7;s8;s8;d10;s7s11;s3;d13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s16s20;d25;s2d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.820;  7.820,7.82,0.0,0.0,2.0,7.82,0.0
-IQNDVWAKBUZBNY_on_Q14833_WT,High,ChEMBL30,CHEMBL3634447,Cc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1,IQNDVWAKBUZBNY,IQNDVWAKBUZBNY-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-17-8-7-14(11-13(17)2)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:9,1,22,23,21,24,14,13,10,11,27,8,2,15,20,19,3,7,5,25,17,4,16,6,26,18,12/E:(3,4)(5,6)(15,16)(20,21)(25,26)/rA:27CCCNCOCCCCCOCCCNCOCCCCCCCOC/rB:s1;d2;s3;s4;d5;s5;d7;s8;s8;d10;s7s11;s3;d13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s16s20;d25;s2d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-IQNMCFJVBQJVNL_on_P41594_WT,High,ChEMBL30,CHEMBL181332,Cc1cccc(NC(=O)c2nc(Br)ccc2)n1,IQNMCFJVBQJVNL,IQNMCFJVBQJVNL-UHFFFAOYSA-N,"InChI=1S/C12H10BrN3O/c1-8-4-2-7-11(14-8)16-12(17)9-5-3-6-10(13)15-9/h2-7H,1H3,(H,14,16,17)","""AuxInfo=1/1/N:1,4,15,3,16,14,5,2,10,12,6,8,13,17,11,7,9/rA:17CCCCCCNCOCNCBrCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-IQPLYVYZAILDSZ_on_Q13224_WT,High,ChEMBL30,CHEMBL218463,Cc1ccc(COC(=O)N2CCC(CN(C)c3ncccn3)CC2)cc1,IQPLYVYZAILDSZ,IQPLYVYZAILDSZ-UHFFFAOYSA-N,"InChI=1S/C20H26N4O2/c1-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23(2)19-21-10-3-11-22-19/h3-7,10-11,17H,8-9,12-15H2,1-2H3","""AuxInfo=1/0/N:1,16,20,3,26,4,25,12,23,19,21,11,24,14,6,2,13,5,17,8,18,22,15,10,9,7/E:(4,5)(6,7)(8,9)(10,11)(12,13)(21,22)/rA:26CCCCCCOCONCCCCNCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-IQPXKWOZCDYATK_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684115,Cc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1F,IQPXKWOZCDYATK,IQPXKWOZCDYATK-UHFFFAOYSA-N,"InChI=1S/C18H14FNO/c1-12-10-13(5-7-17(12)19)2-3-14-4-6-16-15(11-14)8-9-20-18(16)21/h4-7,10-11H,8-9H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,5,6,8,18,9,19,15,14,3,17,2,4,7,16,10,20,11,21,13,12/rA:21CCCCCCCCCCCONCCCCCCCF/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s10s15;s7d16;d4;s18;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-IQRJHPLBKRMXJJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771647,O=C(c1cccs1)N1CCCC1c1nc(-c2cccc(F)c2)no1,IQRJHPLBKRMXJJ,IQRJHPLBKRMXJJ-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O2S/c18-12-5-1-4-11(10-12)15-19-16(23-20-15)13-6-2-8-21(13)17(22)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2","""AuxInfo=1/0/N:18,10,5,17,19,11,4,9,6,22,16,20,12,3,15,13,2,21,14,23,8,1,24,7/rA:24OCCCCCSNCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s8s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-IQSIXTDPSJCEFA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL365409;11462332,Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1,IQSIXTDPSJCEFA,IQSIXTDPSJCEFA-UHFFFAOYSA-N,"InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)","""AuxInfo=1/1/N:1,15,23,14,16,22,24,13,17,21,25,3,27,4,26,10,2,12,5,20,11,9,6,8,18,19,7/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27CCCCCCONCCCCCCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s19;d20;s21;d22;s23;s20d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;PubChemAID:240173,PMID:15537338,2004.0,PMID:15537338;PubChemAID:240173,2004;2010,0,1;0,0,0,0;1,,=,  7.520;  7.523,7.521,0.002,0.002,2.0,7.521,0.002
-IQSMPFFGKFZZMI_on_P41594_WT,Medium,ChEMBL30,CHEMBL186151,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Oc2cnccc2)c1,IQSMPFFGKFZZMI,IQSMPFFGKFZZMI-UHFFFAOYSA-N,InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H,"""AuxInfo=1/0/N:13,12,23,24,14,22,11,3,25,16,20,2,4,19,17,9,8,1,21,10,7,15,6,5,18/rA:25FCCCNNNCCNCCCCNCCOCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;s18;d19;s20;d21;s22;s19d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-IQSQKAUSHODDNU_on_P31644_WT,High,ChEMBL30,CHEMBL3676491,CCN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1,IQSQKAUSHODDNU,IQSQKAUSHODDNU-UHFFFAOYSA-N,"InChI=1S/C24H28N4O3/c1-3-28-13-7-10-20(15-28)26-24(29)19-11-12-22(25-14-19)30-16-21-17(2)31-27-23(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,20H,3,7,10,13,15-16H2,1-2H3,(H,26,29)","""AuxInfo=1/1/N:1,19,2,26,25,27,5,24,28,6,12,13,4,30,31,16,18,23,11,7,17,14,22,9,29,8,21,3,10,15,20/E:(5,6)(8,9)/rA:31CCNCCCCNCOCCCCOCCCCONCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s16;d17;s18;s18;s20;s17d21;s22;d23;s24;d25;s26;s23d27;s14;s11d29;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-IQWRXPKHEWZYCA_on_P41594_WT,High,ChEMBL30,CHEMBL3747078,O=C1c2nc(COc3ccccc3)nn2CCN1c1ccc(F)cc1,IQWRXPKHEWZYCA,IQWRXPKHEWZYCA-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)22-10-11-23-17(18(22)24)20-16(21-23)12-25-15-4-2-1-3-5-15/h1-9H,10-12H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,6,22,19,8,5,3,2,23,4,14,18,15,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCNCCOCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.550;  5.630,5.59,0.04,0.04,2.0,5.59,0.04
-IQXJMMLNUIUGIQ_on_O00591_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_O14764_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P18505_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P31644_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P34903_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P47869_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P47870_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P48169_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_P78334_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQXJMMLNUIUGIQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL330456,Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,IQXJMMLNUIUGIQ,IQXJMMLNUIUGIQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-14-12(9-10)18-16(21-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,20,18,5,9,7,11,19,8,10,6/rA:21CCCCCOCNCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;d7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IQYZBAXXCRDYQA_on_Q14833_WT,High,ChEMBL30,CHEMBL2023623,CCN(CC)C(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,IQYZBAXXCRDYQA,IQYZBAXXCRDYQA-UHFFFAOYSA-N,"InChI=1S/C23H22N4O2/c1-3-26(4-2)23(28)29-19-10-11-21-20(12-13-24-22(21)14-19)17-15-25-27(16-17)18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,5,2,4,20,19,21,18,22,10,11,25,26,29,24,15,14,17,9,13,12,28,6,27,23,3,16,7,8/E:(1,2)(3,4)(6,7)(8,9)/rA:29CCNCCCOOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s16;s14d23;d13;s25;d26;s12s27;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-IRALGLUGCRFCKW_on_P41594_WT,Low,ChEMBL30,CHEMBL206032,Clc1ccc(Sc2nc(-c3ccncc3)ncc2)cc1,IRALGLUGCRFCKW,IRALGLUGCRFCKW-UHFFFAOYSA-N,InChI=1S/C15H10ClN3S/c16-12-1-3-13(4-2-12)20-14-7-10-18-15(19-14)11-5-8-17-9-6-11/h1-10H,"""AuxInfo=1/0/N:3,20,4,19,11,15,18,12,14,17,10,2,5,7,9,1,13,16,8,6/E:(1,2)(3,4)(5,6)(8,9)/rA:20ClCCCCSCNCCCCNCCNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IRAOXMKCUWMVDP_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,44419241;CHEMBL217992,C#Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,IRAOXMKCUWMVDP,IRAOXMKCUWMVDP-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h1,3-7,10-11,17H,8-9,12-15H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,20,4,26,5,25,13,23,19,21,12,24,15,7,3,14,6,17,9,18,22,16,11,10,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(21,22)/rA:26CCCCCCCOCONCCCCNCNCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  5.903;  5.900,5.902,0.001,0.001,2.0,5.902,0.001
-IRBCMGWXYPFYGL_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684235,O=C1NC(=O)c2c1ccc(C#Cc1ccc(F)c(F)c1)c2,IRBCMGWXYPFYGL,IRBCMGWXYPFYGL-UHFFFAOYSA-N,"InChI=1S/C16H7F2NO2/c17-13-6-4-10(8-14(13)18)2-1-9-3-5-11-12(7-9)16(21)19-15(11)20/h3-8H,(H,19,20,21)","""AuxInfo=1/1/N:11,12,9,14,8,15,21,20,10,13,7,6,16,18,2,4,17,19,3,1,5/rA:21OCNCOCCCCCCCCCCCFCFCC/rB:d1;s2;s3;d4;s4;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s16;s18;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-IRDWCVIRNKWGSM_on_P14867_WT,Low,ChEMBL30,CHEMBL204017,Oc1nsc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,IRDWCVIRNKWGSM,IRDWCVIRNKWGSM-UHFFFAOYSA-N,"InChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNSCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.660;  7.660,7.66,0.0,0.0,2.0,7.66,0.0
-IRDWCVIRNKWGSM_on_P18507_WT,Low,ChEMBL30,CHEMBL204017,Oc1nsc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,IRDWCVIRNKWGSM,IRDWCVIRNKWGSM-UHFFFAOYSA-N,"InChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNSCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.660;  7.660,7.66,0.0,0.0,2.0,7.66,0.0
-IRDWCVIRNKWGSM_on_P28472_WT,Low,ChEMBL30,CHEMBL204017,Oc1nsc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,IRDWCVIRNKWGSM,IRDWCVIRNKWGSM-UHFFFAOYSA-N,"InChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNSCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  7.660;  7.660,7.66,0.0,0.0,2.0,7.66,0.0
-IREBWVNSEHBJRT_on_P14867_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-IREBWVNSEHBJRT_on_P18507_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682711;CHEMBL680434;CHEMBL677036;CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.820;  7.920;  8.270;  9.000,8.253,0.46299999999999997,0.267,4.0,8.095,0.225
-IREBWVNSEHBJRT_on_P28472_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672;CHEMBL677036;CHEMBL682711;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.000;  8.270;  7.820;  7.920,8.252,0.46299999999999997,0.267,4.0,8.095,0.225
-IREBWVNSEHBJRT_on_P31644_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IREBWVNSEHBJRT_on_P34903_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-IREBWVNSEHBJRT_on_P47869_WT,Low,ChEMBL30,CHEMBL95443,CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1,IREBWVNSEHBJRT,IREBWVNSEHBJRT-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,20,16,17,11,8,9,13,12,6,4,5,14,15,7,3,18/rA:20CCSCCCOCCCCCCCNCCSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s14s17;s13;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-IRJCBFDCFXCWGO_on_P41594_WT,Medium,ChEMBL30,CHEMBL284895,NC(C(=O)O)c1cc(O)no1,IRJCBFDCFXCWGO,IRJCBFDCFXCWGO-UHFFFAOYSA-N,"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:7,6,8,2,3,1,10,9,4,5,11/E:(9,10)/rA:11NCCOOCCCONO/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s6s10;/rC:;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-IRJCBFDCFXCWGO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL30285;CHEMBL284895,NC(C(=O)O)c1cc(O)no1,IRJCBFDCFXCWGO,IRJCBFDCFXCWGO-UHFFFAOYSA-N,"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:7,6,8,2,3,1,10,9,4,5,11/E:(9,10)/rA:11NCCOOCCCONO/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s6s10;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717335;CHEMBL719076,PMID:8831765,1996.0,PMID:8831765;PMID:10893301,1996;2000,0,1;0,0,0;1,0,,=,  5.220;  4.370,4.795,0.425,0.425,2.0,4.795,0.425
-IRJCBFDCFXCWGO_on_Q14416_WT,Low,ChEMBL30,CHEMBL284895,NC(C(=O)O)c1cc(O)no1,IRJCBFDCFXCWGO,IRJCBFDCFXCWGO-UHFFFAOYSA-N,"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:7,6,8,2,3,1,10,9,4,5,11/E:(9,10)/rA:11NCCOOCCCONO/rB:s1;s2;d3;s3;s2;d6;s7;s8;d8;s6s10;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL820027;CHEMBL718215,PMID:9873391,1998.0,PMID:9873391;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  3.959;  3.959,3.9589999999999996,0.0,0.0,2.0,3.9589999999999996,0.0
-IRJFZMIPPDRKFL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3896269,CC1(C)CN(c2ccc(C#Cc3ccc(F)c(F)c3)cn2)C(=O)O1,IRJFZMIPPDRKFL,IRJFZMIPPDRKFL-UHFFFAOYSA-N,"InChI=1S/C18H14F2N2O2/c1-18(2)11-22(17(23)24-18)16-8-6-13(10-21-16)4-3-12-5-7-14(19)15(20)9-12/h5-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,11,10,13,8,14,7,19,20,4,12,9,15,17,6,22,2,16,18,21,5,23,24/E:(1,2)/rA:24CCCCNCCCCCCCCCCFCFCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s17;s12d17;s9;s6d20;s5;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-IRJOLKVSPWBQMN_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023468,c1ccc(-n2cc(-c3ccnc4cc(OCCN5CCCC5)ccc34)cn2)cc1,IRJOLKVSPWBQMN,IRJOLKVSPWBQMN-UHFFFAOYSA-N,"InChI=1S/C24H24N4O/c1-2-6-20(7-3-1)28-18-19(17-26-28)22-10-11-25-24-16-21(8-9-23(22)24)29-15-14-27-12-4-5-13-27/h1-3,6-11,16-18H,4-5,12-15H2","""AuxInfo=1/0/N:1,2,29,20,21,3,28,23,24,9,10,19,22,17,16,13,26,6,7,4,14,8,25,12,11,27,18,5,15/E:(2,3)(4,5)(6,7)(12,13)/rA:29CCCCNCCCCCNCCCOCCNCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s19;s20;s18s21;d14;s23;s8s12d24;s7;s5d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IRMUJRBEBCVTAA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3908309,Cc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cc(C)n1,IRMUJRBEBCVTAA,IRMUJRBEBCVTAA-UHFFFAOYSA-N,"InChI=1S/C22H20FN5O/c1-12-6-14(7-13(2)26-12)8-15-4-5-17-18(16-10-25-28(3)11-16)9-19(22(24)29)27-21(17)20(15)23/h4-7,9-11H,8H2,1-3H3,(H2,24,29)","""AuxInfo=1/1/N:1,28,14,7,8,3,26,5,17,16,12,2,27,4,6,11,9,10,18,24,23,19,25,20,15,29,22,13,21/E:(1,2)(6,7)(12,13)/rA:29CCCCCCCCCCCCNCNCCCCNONCCFCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s13;s11d15;d10;s17;s18;s19;d19;d18;s9s22;s6d23;s24;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-IRMXEKLCWFUGDP_on_Q14416_WT,High,ChEMBL30,CHEMBL341457,COc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,IRMXEKLCWFUGDP,IRMXEKLCWFUGDP-UHFFFAOYSA-N,"InChI=1S/C15H19NO5/c1-21-10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,5,6,4,8,9,21,16,7,3,17,15,18,12,10,11,19,20,13,14,2/E:(17,18)(19,20)/rA:21COCCCCCCCCNCOOCCCCOOC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s10;d12;s12;s10;s15;s15s16;s17;d18;s18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-IRMXEKLCWFUGDP_on_Q14832_WT,High,ChEMBL30,CHEMBL341457,COc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,IRMXEKLCWFUGDP,IRMXEKLCWFUGDP-UHFFFAOYSA-N,"InChI=1S/C15H19NO5/c1-21-10-4-2-3-9(7-10)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,5,6,4,8,9,21,16,7,3,17,15,18,12,10,11,19,20,13,14,2/E:(17,18)(19,20)/rA:21COCCCCCCCCNCOOCCCCOOC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s10;d12;s12;s10;s15;s15s16;s17;d18;s18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-IRSGNBUWVIPUQY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114983,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)ccn1,IRSGNBUWVIPUQY,IRSGNBUWVIPUQY-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c1-12-9-14(5-7-26-12)19-18-6-8-29-13(2)11-28(18)20(27-19)15-3-4-16(17(22)10-15)21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,18,23,6,5,14,19,24,20,21,22,29,26,13,9/E:(23,24,25)/rA:29CCCCCCCCOCCCNCCCCCCFFFCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-IRTCOFQSEANRBE_on_Q14416_WT,High,ChEMBL30,CHEMBL4074664,Cc1nc(C)c(Oc2c(Cl)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1,IRTCOFQSEANRBE,IRTCOFQSEANRBE-UHFFFAOYSA-N,"InChI=1S/C23H20Cl2N4O/c1-13-3-7-19(14(2)26-13)30-20-8-6-16(12-18(20)24)17-9-10-29-21(11-15-4-5-15)27-28-23(29)22(17)25/h3,6-10,12,15H,4-5,11H2,1-2H3","""AuxInfo=1/0/N:1,5,30,22,23,27,29,28,26,25,20,11,2,4,21,12,13,9,6,8,19,14,16,10,15,3,18,17,24,7/E:(4,5)/rA:30CCNCCCOCCClCCCCClCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s14;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s13d25;s12;s8d27;s6;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040510;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;0;1,0;1;0,0,,=,  7.910;  8.220;  9.000,8.377,0.45899999999999996,0.324,3.0,8.22,0.31
-IRTOLAPZUOTDMC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,24763199;CHEMBL1289233,O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,IRTOLAPZUOTDMC,IRTOLAPZUOTDMC-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,8,10,14,24,13,25,21,5,3,6,19,22,16,2,20,23,9,15,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:539642;CHEMBL1292204,PMID:21067920,2010.0,PubChemAID:539642;PMID:21067920,2011;2010,0,0;1,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-IRXAEZFKUGBIIX_on_P41594_WT,High,ChEMBL30,CHEMBL2335291,C(#Cc1nc2c(cccc2)cc1)c1ncccc1,IRXAEZFKUGBIIX,IRXAEZFKUGBIIX-UHFFFAOYSA-N,"InChI=1S/C16H10N2/c1-2-7-16-13(5-1)8-9-15(18-16)11-10-14-6-3-4-12-17-14/h1-9,12H","""AuxInfo=1/0/N:8,9,17,16,7,18,10,11,12,1,2,15,6,13,3,5,14,4/rA:18CCCNCCCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s3d11;s1;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2345731,PMID:23333207,2013.0,PMID:23333207,2013,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-IRXQDZUKXAHEGY_on_P41594_WT,High,ChEMBL30,CHEMBL3655641,N#Cc1cc(C(=O)Nc2cc(Oc3cccnc3)ccn2)ccc1,IRXQDZUKXAHEGY,IRXQDZUKXAHEGY-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2/c19-11-13-3-1-4-14(9-13)18(23)22-17-10-15(6-8-21-17)24-16-5-2-7-20-12-16/h1-10,12H,(H,21,22,23)","""AuxInfo=1/1/N:23,15,24,22,14,19,16,20,4,10,2,18,3,5,11,13,9,6,1,17,21,8,7,12/rA:24NCCCCCONCCCOCCCCNCCCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s19;s9d20;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-IRYRIYZFHAHBNR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112341,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)c1,IRYRIYZFHAHBNR,IRYRIYZFHAHBNR-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O/c1-13-8-16(4-5-19(13)23)22-26-21(17-9-14(2)25-18(10-17)11-24)20-6-7-28-15(3)12-27(20)22/h4-5,8-10,15H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:25,1,15,20,21,11,12,26,28,7,5,16,24,2,14,19,8,4,22,10,9,18,23,6,3,27,17,13/rA:28CCNCCFCCCCCCOCCCNCCCCCClCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-ISAMWRRMVCVCCO_on_P18507_WT,Low,ChEMBL30,CHEMBL584546,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cccc3)-c2n1,ISAMWRRMVCVCCO,ISAMWRRMVCVCCO-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-3-7-17-21-11-13-10-16-19(20(25)26-4-2)22-12-24(16)15-9-6-5-8-14(15)18(13)23-17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,22,23,3,21,24,8,6,17,7,20,19,9,4,25,10,11,5,16,26,18,12,13/rA:26CCCCNCCCCCCOOCCNCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s19d23;s7s20;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ISAMWRRMVCVCCO_on_P28472_WT,Low,ChEMBL30,CHEMBL584546,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cccc3)-c2n1,ISAMWRRMVCVCCO,ISAMWRRMVCVCCO-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-3-7-17-21-11-13-10-16-19(20(25)26-4-2)22-12-24(16)15-9-6-5-8-14(15)18(13)23-17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,22,23,3,21,24,8,6,17,7,20,19,9,4,25,10,11,5,16,26,18,12,13/rA:26CCCCNCCCCCCOOCCNCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s19d23;s7s20;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ISAMWRRMVCVCCO_on_P31644_WT,Low,ChEMBL30,CHEMBL584546,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cccc3)-c2n1,ISAMWRRMVCVCCO,ISAMWRRMVCVCCO-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-3-7-17-21-11-13-10-16-19(20(25)26-4-2)22-12-24(16)15-9-6-5-8-14(15)18(13)23-17/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,22,23,3,21,24,8,6,17,7,20,19,9,4,25,10,11,5,16,26,18,12,13/rA:26CCCCNCCCCCCOOCCNCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s19d23;s7s20;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ISBNKTIGDJTIOG_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164547;21942492,N#Cc1cc(F)cc(-c2ccc(-c3ncccc3)o2)c1,ISBNKTIGDJTIOG,ISBNKTIGDJTIOG-UHFFFAOYSA-N,InChI=1S/C16H9FN2O/c17-13-8-11(10-18)7-12(9-13)15-4-5-16(20-15)14-3-1-2-6-19-14/h1-9H,"""AuxInfo=1/0/N:17,16,18,10,11,15,20,4,7,2,3,8,5,13,9,12,6,1,14,19/rA:20NCCCCFCCCCCCCNCCCCOC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s9s12;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  7.210;  7.215,7.212999999999999,0.002,0.002,2.0,7.212999999999999,0.002
-ISCNXTNBTKEYRY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403681;71712878,CCC(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,ISCNXTNBTKEYRY,ISCNXTNBTKEYRY-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS/c1-2-17(20)19-11-10-14-15(12-19)21-16(18-14)9-8-13-6-4-3-5-7-13/h3-7H,2,10-12H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,14,13,7,6,10,15,8,9,12,3,21,5,4,11/E:(4,5)(6,7)/rA:21CCCONCCCCCSCCCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;s7;d8;s5s9;s9;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-ISGNQURUMOYRMQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL4302264,Cc1cc(-c2cnc3ccn(CC(=O)N(C)C)c3c2)ccc1F,ISGNQURUMOYRMQ,ISGNQURUMOYRMQ-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-8-13(4-5-15(12)19)14-9-17-16(20-10-14)6-7-22(17)11-18(23)21(2)3/h4-10H,11H2,1-3H3","""AuxInfo=1/0/N:1,16,17,20,21,9,10,3,19,6,12,2,4,5,22,8,18,13,23,7,15,11,14/E:(2,3)/rA:23CCCCCCNCCCNCCONCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s13;s15;s15;s8s11;s5d18;d4;s20;s2d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4339649;CHEMBL4194320,PMID:28947933,2017.0,PMID:30891123;PMID:28947933,2019;2017,1,0,0,0,0,,=,  7.600;  8.700,8.15,0.55,0.55,2.0,8.15,0.55
-ISGNQURUMOYRMQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL4302264,Cc1cc(-c2cnc3ccn(CC(=O)N(C)C)c3c2)ccc1F,ISGNQURUMOYRMQ,ISGNQURUMOYRMQ-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-8-13(4-5-15(12)19)14-9-17-16(20-10-14)6-7-22(17)11-18(23)21(2)3/h4-10H,11H2,1-3H3","""AuxInfo=1/0/N:1,16,17,20,21,9,10,3,19,6,12,2,4,5,22,8,18,13,23,7,15,11,14/E:(2,3)/rA:23CCCCCCNCCCNCCONCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s13;s15;s15;s8s11;s5d18;d4;s20;s2d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4339649;CHEMBL4194320,PMID:28947933,2017.0,PMID:30891123;PMID:28947933,2019;2017,1,0,0,0,0,,=,  7.600;  8.700,8.15,0.55,0.55,2.0,8.15,0.55
-ISJKPUWGGXLQCI_on_P14867_WT,Low,ChEMBL30,CHEMBL1270843;CHEMBL1270943,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.050;  7.570,7.31,0.26,0.26,2.0,7.31,0.26
-ISJKPUWGGXLQCI_on_P18507_WT,Low,ChEMBL30,CHEMBL1270943;CHEMBL1270943;CHEMBL1270943;CHEMBL1270843;CHEMBL1270843;CHEMBL1270943;CHEMBL1270843;CHEMBL1270843,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273616;CHEMBL1273616;CHEMBL1273615;CHEMBL1273615;CHEMBL1273619;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.730;  6.340;  6.460;  6.030;  7.050;  7.570;  5.730;  6.760,6.459,0.606,0.22899999999999998,8.0,6.4,0.51
-ISJKPUWGGXLQCI_on_P28472_WT,Low,ChEMBL30,CHEMBL1270843;CHEMBL1270943;CHEMBL1270843;CHEMBL1270843;CHEMBL1270843;CHEMBL1270943;CHEMBL1270943;CHEMBL1270943,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273617;CHEMBL1273619;CHEMBL1273616;CHEMBL1273619;CHEMBL1273615;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.760;  5.730;  6.030;  5.730;  7.050;  7.570;  6.340;  6.460,6.459,0.606,0.22899999999999998,8.0,6.4,0.51
-ISJKPUWGGXLQCI_on_P31644_WT,Low,ChEMBL30,CHEMBL1270843;CHEMBL1270943,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.730;  5.730,5.73,0.0,0.0,2.0,5.73,0.0
-ISJKPUWGGXLQCI_on_P34903_WT,Low,ChEMBL30,CHEMBL1270843;CHEMBL1270943,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.760;  6.340,6.55,0.21,0.21,2.0,6.55,0.21
-ISJKPUWGGXLQCI_on_P47869_WT,Low,ChEMBL30,CHEMBL1270843;CHEMBL1270943,CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F,ISJKPUWGGXLQCI,ISJKPUWGGXLQCI-UHFFFAOYSA-N,"InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,18,8,2,12,17,11,6,9,4,19,20,21,22,7,10,5,3/E:(16,17,18)/rA:22CCOCOCNCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s2;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.030;  6.460,6.245,0.215,0.215,2.0,6.245,0.215
-ISJZRGVAXJYILG_on_O15399_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_O60391_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_Q05586_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_Q12879_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_Q13224_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISJZRGVAXJYILG_on_Q14957_WT,Low,ChEMBL30,CHEMBL275906,CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,ISJZRGVAXJYILG,ISJZRGVAXJYILG-UHFFFAOYSA-N,"InChI=1S/C11H10N3O9P/c1-4(15)23-11(24(20,21)22)6-2-5(14(18)19)3-7-8(6)13-10(17)9(16)12-7/h2-3,11H,1H3,(H,12,16)(H,13,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,20,15,2,16,6,14,7,11,9,5,13,8,17,3,12,10,18,19,22,23,24,4,21/E:(18,19)(20,21,22)/CRV:14.5/rA:24CCOOCCCNCOCONCCCN+OO-CPOOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ISKFVJUWBUYYPG_on_Q13255_WT,High,ChEMBL30,CHEMBL3330802,O=c1c2c(ncn1-c1ccc(F)cc1)c(-c1ccccc1)cs2,ISKFVJUWBUYYPG,ISKFVJUWBUYYPG-UHFFFAOYSA-N,InChI=1S/C18H11FN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,17,21,10,13,9,14,22,6,16,11,8,15,4,3,2,12,5,7,1,23/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCCCNCNCCCCFCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-ISTPJVXWJXKZCU_on_Q14416_WT,High,ChEMBL30,CHEMBL3885492,Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12,ISTPJVXWJXKZCU,ISTPJVXWJXKZCU-UHFFFAOYSA-N,"InChI=1S/C17H16ClN3O/c18-16-14(22-11-13-4-2-1-3-5-13)8-9-21-15(10-12-6-7-12)19-20-17(16)21/h1-5,8-9,12H,6-7,10-11H2","""AuxInfo=1/0/N:9,8,10,7,11,18,19,12,13,16,5,17,6,3,15,2,22,1,20,21,14,4/E:(2,3)(4,5)(6,7)/rA:22ClCCOCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s3;d12;s13;s14;s15;s16;s17;s17s18;d15;s20;s2s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-ISUZZRVMDCKBEJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3898494;CHEMBL4111325;CHEMBL3898494;CHEMBL4111325,O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ccccn1,ISUZZRVMDCKBEJ,ISUZZRVMDCKBEJ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)","""AuxInfo=1/1/N:13,22,14,23,6,12,21,10,7,5,9,17,18,15,24,19,11,20,2,8,4,16,25,3,1/rA:25OCNCCCCCCCCCCCCNCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s4s17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708;CHEMBL3887707;CHEMBL3887707;CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1;0;0;1,0,0,0;1;1;0,0,,=,  8.800;  7.660;  8.350;  8.230,8.26,0.406,0.235,4.0,8.29,0.285
-ISVRBGUBZGPZBA_on_P41594_WT,High,ChEMBL30,CHEMBL3644414,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)c(F)cc3,ISVRBGUBZGPZBA,ISVRBGUBZGPZBA-UHFFFAOYSA-N,"InChI=1S/C23H18F2N6O/c24-17-4-3-15-16(22(17)14-8-27-23(25)28-9-14)5-6-31-19(15)7-20(26-10-21(31)32)30-11-18(29-12-30)13-1-2-13/h3-4,7-9,11-13H,1-2,5-6,10H2","""AuxInfo=1/0/N:11,12,32,31,18,19,14,23,28,3,13,7,10,22,16,17,29,9,15,5,2,21,25,30,26,4,24,27,8,6,20,1/E:(1,2)(8,9)(27,28)/rA:32OCCNCNCNCCCCCCCCCCCNCCCNCFNCCFCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s29;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-ISVRBGUBZGPZBA_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644414,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)c(F)cc3,ISVRBGUBZGPZBA,ISVRBGUBZGPZBA-UHFFFAOYSA-N,"InChI=1S/C23H18F2N6O/c24-17-4-3-15-16(22(17)14-8-27-23(25)28-9-14)5-6-31-19(15)7-20(26-10-21(31)32)30-11-18(29-12-30)13-1-2-13/h3-4,7-9,11-13H,1-2,5-6,10H2","""AuxInfo=1/0/N:11,12,32,31,18,19,14,23,28,3,13,7,10,22,16,17,29,9,15,5,2,21,25,30,26,4,24,27,8,6,20,1/E:(1,2)(8,9)(27,28)/rA:32OCCNCNCNCCCCCCCCCCCNCCCNCFNCCFCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s29;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ISZRIZPRXUQOMU_on_P14867_WT,Low,ChEMBL30,CHEMBL116842,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,ISZRIZPRXUQOMU,ISZRIZPRXUQOMU-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804;CHEMBL872132,PMID:15177449,2004.0,PMID:15177449;PMID:16153832,2004;2005,0,0,0,1,0,,=,  9.720;  9.540,9.63,0.09,0.09,2.0,9.63,0.09
-ISZRIZPRXUQOMU_on_P18507_WT,Low,ChEMBL30,CHEMBL116842,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,ISZRIZPRXUQOMU,ISZRIZPRXUQOMU-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL872133;CHEMBL872132;CHEMBL678899;CHEMBL681843;CHEMBL821804,PMID:15177449,2004.0,PMID:16153832;PMID:16153832;PMID:15177449;PMID:15177449;PMID:15177449,2005;2005;2004;2004;2004,0,0,0,1,0,,=,  8.820;  9.540;  8.990;  9.110;  9.720,9.236,0.33899999999999997,0.17,5.0,9.11,0.29
-ISZRIZPRXUQOMU_on_P28472_WT,Low,ChEMBL30,CHEMBL116842,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,ISZRIZPRXUQOMU,ISZRIZPRXUQOMU-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL872133;CHEMBL872132;CHEMBL678899;CHEMBL821804;CHEMBL681843,PMID:15177449,2004.0,PMID:16153832;PMID:16153832;PMID:15177449;PMID:15177449;PMID:15177449,2005;2005;2004;2004;2004,0,0,0,1,0,,=,  8.820;  9.540;  8.990;  9.720;  9.110,9.236,0.33899999999999997,0.17,5.0,9.11,0.29
-ISZRIZPRXUQOMU_on_P34903_WT,Low,ChEMBL30,CHEMBL116842,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,ISZRIZPRXUQOMU,ISZRIZPRXUQOMU-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL872133;CHEMBL678899,PMID:15177449,2004.0,PMID:16153832;PMID:15177449,2005;2004,0,0,0,1,0,,=,  8.820;  8.990,8.905,0.085,0.085,2.0,8.905,0.085
-ISZRIZPRXUQOMU_on_P47869_WT,Low,ChEMBL30,CHEMBL116842,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,ISZRIZPRXUQOMU,ISZRIZPRXUQOMU-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,21H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681843,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-ITKTZKZAEZBOLW_on_P41594_WT,High,ChEMBL30,CHEMBL3644391,CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C)c3)C=C21,ITKTZKZAEZBOLW,ITKTZKZAEZBOLW-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-12-10-22(11-21-12)18-8-17-16-5-3-4-14(13(2)24)15(16)6-7-23(17)19(25)9-20-18/h3-5,8,10-11H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:22,1,6,5,7,10,11,24,15,23,19,21,2,4,9,8,25,17,13,16,20,18,12,3,14/rA:25CCOCCCCCCCCNCOCNCNCNCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;w?16;s17;s18;d19;s20;s21;s18d21;s17;s8s12w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-ITKTZKZAEZBOLW_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644391,CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C)c3)C=C21,ITKTZKZAEZBOLW,ITKTZKZAEZBOLW-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-12-10-22(11-21-12)18-8-17-16-5-3-4-14(13(2)24)15(16)6-7-23(17)19(25)9-20-18/h3-5,8,10-11H,6-7,9H2,1-2H3","""AuxInfo=1/0/N:22,1,6,5,7,10,11,24,15,23,19,21,2,4,9,8,25,17,13,16,20,18,12,3,14/rA:25CCOCCCCCCCCNCOCNCNCNCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;w?16;s17;s18;d19;s20;s21;s18d21;s17;s8s12w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ITLPAUBPNYYULH_on_Q14833_WT,High,ChEMBL30,CHEMBL1209593,Nc1nccc(-c2cc3c(cccc3)o2)n1,ITLPAUBPNYYULH,ITLPAUBPNYYULH-UHFFFAOYSA-N,"InChI=1S/C12H9N3O/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)","""AuxInfo=1/1/N:13,12,14,11,5,4,8,9,6,10,7,2,1,3,16,15/rA:16NCNCCCCCCCCCCCON/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;s2d6;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-ITOPMTGVJBWGKJ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL114155,Cn1c(O)nc2c1ccc(C#CCN1CCC(Cc3ccccc3)CC1)c2,ITOPMTGVJBWGKJ,ITOPMTGVJBWGKJ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O/c1-25-22-10-9-19(17-21(22)24-23(25)27)8-5-13-26-14-11-20(12-15-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,17,20H,11-16H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,22,21,23,12,20,24,11,9,8,16,25,13,15,26,18,27,19,10,17,6,7,3,5,2,14,4/E:(3,4)(6,7)(11,12)(14,15)/rA:27CNCONCCCCCCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;d3;s5;s2d6;s7;d8;s9;s10;t11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.210;  4.050,4.13,0.08,0.08,2.0,4.13,0.08
-ITPSSPROTKPTLZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3925470;CHEMBL4110657,CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)C2CCCC21,ITPSSPROTKPTLZ,ITPSSPROTKPTLZ-UHFFFAOYSA-N,"InChI=1S/C21H20N2O/c1-23-19-9-5-8-17(19)20(21(23)24)18-13-12-16(14-22-18)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17,19-20H,5,8-9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,13,17,21,23,11,10,8,7,18,12,9,20,6,24,5,3,19,2,4/E:(3,4)(6,7)/rA:24CNCOCCCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s2s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.620;  7.330,7.475,0.145,0.145,2.0,7.475,0.145
-ITQCYVNOJRCWRN_on_P41594_WT,Low,ChEMBL30,CHEMBL225125,CCc1ccc(-n2cnc3c(sc4c3c(N(C)CCOC)ccn4)c2=O)cc1,ITQCYVNOJRCWRN,ITQCYVNOJRCWRN-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2S/c1-4-14-5-7-15(8-6-14)25-13-23-18-17-16(24(2)11-12-27-3)9-10-22-20(17)28-19(18)21(25)26/h5-10,13H,4,11-12H2,1-3H3","""AuxInfo=1/0/N:1,17,21,2,4,28,5,27,22,23,18,19,8,3,6,15,14,10,11,13,25,24,9,16,7,26,20,12/E:(5,6)(7,8)/rA:28CCCCCCNCNCCSCCCNCCCOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;s19;s20;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ITQCYVNOJRCWRN_on_Q13255_WT,High,ChEMBL30,CHEMBL225125,CCc1ccc(-n2cnc3c(sc4c3c(N(C)CCOC)ccn4)c2=O)cc1,ITQCYVNOJRCWRN,ITQCYVNOJRCWRN-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2S/c1-4-14-5-7-15(8-6-14)25-13-23-18-17-16(24(2)11-12-27-3)9-10-22-20(17)28-19(18)21(25)26/h5-10,13H,4,11-12H2,1-3H3","""AuxInfo=1/0/N:1,17,21,2,4,28,5,27,22,23,18,19,8,3,6,15,14,10,11,13,25,24,9,16,7,26,20,12/E:(5,6)(7,8)/rA:28CCCCCCNCNCCSCCCNCCCOCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;s19;s20;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-ITQVYWQVOUKFRB_on_O15399_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_O60391_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_Q05586_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_Q12879_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_Q13224_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITQVYWQVOUKFRB_on_Q14957_WT,Low,ChEMBL30,CHEMBL170056,Brc1cccc(N2CCc3c(cccc3)C2)n1,ITQVYWQVOUKFRB,ITQVYWQVOUKFRB-UHFFFAOYSA-N,"InChI=1S/C14H13BrN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2","""AuxInfo=1/0/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17BrCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-ITSUXYXWKUMHLN_on_Q14833_WT,High,ChEMBL30,CHEMBL3810136,O=C(Nc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1)c1ccccn1,ITSUXYXWKUMHLN,ITSUXYXWKUMHLN-UHFFFAOYSA-N,"InChI=1S/C16H11F3N4O3S/c17-16(18,19)11-4-6-13(7-5-11)27(25,26)23-10-12(9-21-23)22-15(24)14-3-1-2-8-20-14/h1-10H,(H,22,24)","""AuxInfo=1/1/N:24,25,23,12,18,11,19,26,21,5,13,4,10,22,2,14,15,16,17,27,20,3,6,1,8,9,7/E:(4,5)(6,7)(17,18,19)(25,26)/CRV:27.6/rA:27OCNCCNSOOCCCCCFFFCCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;s6;s4d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9180192B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.620;  6.620,6.62,0.0,0.0,2.0,6.62,0.0
-ITTZODMSXFGBDQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1288491,NC(Cc1cnnn1CC(=O)O)C(=O)O,ITTZODMSXFGBDQ,ITTZODMSXFGBDQ-UHFFFAOYSA-N,"InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-9-10-11(4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,5,9,4,2,10,13,1,6,7,8,11,12,14,15/E:(12,13)(14,15)/rA:15NCCCCNNNCCOOCOO/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1292356,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ITTZODMSXFGBDQ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1288491,NC(Cc1cnnn1CC(=O)O)C(=O)O,ITTZODMSXFGBDQ,ITTZODMSXFGBDQ-UHFFFAOYSA-N,"InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-9-10-11(4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,5,9,4,2,10,13,1,6,7,8,11,12,14,15/E:(12,13)(14,15)/rA:15NCCCCNNNCCOOCOO/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1292357,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ITUOJNNMBMMLTR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3906311,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCCC2CF)c3)cn1,ITUOJNNMBMMLTR,ITUOJNNMBMMLTR-UHFFFAOYSA-N,"InChI=1S/C21H24FN5O/c1-26-13-15(11-24-26)18-9-20(21(23)28)25-19-8-14(5-6-17(18)19)12-27-7-3-2-4-16(27)10-22/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,21,20,22,15,14,19,26,6,24,27,17,3,16,4,23,13,5,12,7,8,25,9,28,11,2,18,10/rA:28CNCCCCCCNONCCCCCCNCCCCCCFCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s18s22;s23;s24;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-ITZOKHKOFJOBFS_on_O00591_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_O14764_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P14867_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P18505_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P18507_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P28472_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P31644_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P34903_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P47869_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P47870_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P48169_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_P78334_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_Q16445_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-ITZOKHKOFJOBFS_on_Q99928_WT,Low,ChEMBL30,CHEMBL32823,c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2,ITZOKHKOFJOBFS,ITZOKHKOFJOBFS-UHFFFAOYSA-N,"InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)","""AuxInfo=1/1/N:12,11,13,6,33,28,20,1,34,27,21,10,14,5,32,29,19,2,35,26,22,9,15,4,31,30,18,3,36,25,23,7,17,8,16,37,24/E:(2,3)(4,6)(5,7)(8,10)(9,11)(12,13)(14,16)(15,17)(18,20)(19,21)(22,23)(24,26)(25,27)(28,30)(29,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37CCCCCCCNCCCCCCCNCCCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;s20;s21;s18s22;d23;s24;d25;s26;d27;s28;s17s25d29;d7;s31;s32;s33;s34;s31s35;s3d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685382,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-IUABIMIVYIMTEM_on_P14867_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IUABIMIVYIMTEM_on_P18507_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.580;  6.240;  6.250,6.357,0.158,0.11199999999999999,3.0,6.25,0.01
-IUABIMIVYIMTEM_on_P28472_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.580;  6.240;  6.250,6.357,0.158,0.11199999999999999,3.0,6.25,0.01
-IUABIMIVYIMTEM_on_P31644_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-IUABIMIVYIMTEM_on_P34903_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-IUABIMIVYIMTEM_on_P47869_WT,Low,ChEMBL30,CHEMBL55081,Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1,IUABIMIVYIMTEM,IUABIMIVYIMTEM-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-19-13-7-4-10-16(19)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)15-8-2-1-3-9-15/h1-13H,14H2","""AuxInfo=1/0/N:13,12,14,26,23,22,27,11,15,25,24,21,28,4,10,3,19,20,2,9,18,6,1,16,17,7,8,5/E:(2,3)(8,9)/rA:28ClCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-IUACTTJVMAUNQY_on_P41594_WT,Low,ChEMBL30,CHEMBL3655653,CCN(c1cccnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1,IUACTTJVMAUNQY,IUACTTJVMAUNQY-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-2-25(18-7-4-8-22-13-18)19-10-17(12-23-14-19)24-20(26)16-6-3-5-15(9-16)11-21/h3-10,12-14H,2H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,2,20,6,21,19,5,7,25,26,23,13,9,11,22,18,14,4,10,16,24,8,12,15,3,17/rA:26CCNCCCCNCCCNCCNCOCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;d10;s11;d12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;t23;s18d22;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IUDGZOINZXJCGK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3929476;CHEMBL3970567;CHEMBL4107963,CN1CCCCC(c2ccc(C#Cc3ccccc3)cn2)C1=O,IUDGZOINZXJCGK,IUDGZOINZXJCGK-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-22-14-6-5-9-18(20(22)23)19-13-12-17(15-21-19)11-10-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,4,15,19,6,13,12,10,9,3,20,14,11,7,8,22,21,2,23/E:(3,4)(7,8)/rA:23CNCCCCCCCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.460;  7.230;  6.580,7.09,0.373,0.264,3.0,7.23,0.23
-IUDNWUABFDZWBF_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003325;CHEMBL1672245,O=C(Nc1ccc(NC(=O)c2ccc(F)cc2Cl)c(Cl)c1)c1ccccn1,IUDNWUABFDZWBF,IUDNWUABFDZWBF-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2FN3O2/c20-14-9-11(22)4-6-13(14)18(26)25-16-7-5-12(10-15(16)21)24-19(27)17-3-1-2-8-23-17/h1-10H,(H,24,27)(H,25,26)","""AuxInfo=1/1/N:24,25,23,13,5,12,6,26,16,21,14,4,11,17,19,7,22,9,2,18,20,15,27,3,8,10,1/rA:27OCNCCCCNCOCCCCFCCClCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s17;s7;s19;s4d19;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  6.943;  6.940,6.941,0.001,0.001,2.0,6.941,0.001
-IUGFGGQWCRHERZ_on_P41594_WT,High,ChEMBL30,CHEMBL3605276,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1c(F)cccc1)n2,IUGFGGQWCRHERZ,IUGFGGQWCRHERZ-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O3/c21-14-7-5-13(6-8-14)20(25)24-10-9-16-18(11-24)27-19(23-16)12-26-17-4-2-1-3-15(17)22/h1-8H,9-12H2","""AuxInfo=1/0/N:24,25,23,26,4,9,5,8,12,11,15,18,3,6,21,13,20,14,17,2,7,22,27,10,1,19,16/E:(5,6)(7,8)/rA:27OCCCCCFCCNCCCCCOCCOCCFCCCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;s21;d23;s24;s20d25;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  5.920;  5.920,5.92,0.0,0.0,2.0,5.92,0.0
-IUHKSTINHDUYRO_on_P14867_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.220;  9.200,9.21,0.01,0.01,2.0,9.21,0.01
-IUHKSTINHDUYRO_on_P18507_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683046;CHEMBL685337;CHEMBL824294;CHEMBL823761;CHEMBL678329;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL822162,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158,1998;1998;1998;1998;2000;2000;2000;2000;2000;1998,0,0,0,1,0,,=,  5.940;  7.980;  8.550;  8.320;  9.200;  5.940;  7.980;  8.310;  8.550;  9.220,7.999,1.105,0.368,10.0,8.315,0.335
-IUHKSTINHDUYRO_on_P28472_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683046;CHEMBL685337;CHEMBL823761;CHEMBL824294;CHEMBL678329;CHEMBL681248;CHEMBL683045;CHEMBL681480;CHEMBL822162;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;1998;2000,0,0,0,1,0,,=,  5.940;  7.980;  8.320;  8.550;  9.200;  8.550;  5.940;  7.980;  9.220;  8.310,7.999,1.105,0.368,10.0,8.315,0.335
-IUHKSTINHDUYRO_on_P31644_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685337,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  7.980;  7.980,7.98,0.0,0.0,2.0,7.98,0.0
-IUHKSTINHDUYRO_on_P34903_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.320;  8.310,8.315,0.005,0.005,2.0,8.315,0.005
-IUHKSTINHDUYRO_on_P47869_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.550;  8.550,8.55,0.0,0.0,2.0,8.55,0.0
-IUHKSTINHDUYRO_on_Q16445_WT,Low,ChEMBL30,CHEMBL10534,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC,IUHKSTINHDUYRO,IUHKSTINHDUYRO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,18H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,21,2,14,15,13,16,8,19,12,18,11,9,17,6,4,7,10,5,20,3/rA:21CCOCOCNCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683046,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  5.940;  5.940,5.94,0.0,0.0,2.0,5.94,0.0
-IUMJONUZMSHVTP_on_Q14833_WT,High,ChEMBL30,CHEMBL1209438,Cc1cc(C=Cc2ccccc2)nc(N)n1,IUMJONUZMSHVTP,IUMJONUZMSHVTP-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-10-9-12(16-13(14)15-10)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,10,9,11,8,12,6,5,3,2,7,4,14,15,16,13/E:(3,4)(5,6)/rA:16CCCCCCCCCCCCNCNN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s2d14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-IUQSZUWRMNDZII_on_P14867_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-IUQSZUWRMNDZII_on_P18507_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678741;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.020;  6.500;  6.280;  6.850,6.412000000000001,0.304,0.17600000000000002,4.0,6.39,0.24
-IUQSZUWRMNDZII_on_P28472_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL681841;CHEMBL676826;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850;  6.280;  6.020;  6.500,6.412000000000001,0.304,0.17600000000000002,4.0,6.39,0.24
-IUQSZUWRMNDZII_on_P31644_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-IUQSZUWRMNDZII_on_P34903_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-IUQSZUWRMNDZII_on_P47869_WT,Low,ChEMBL30,CHEMBL52818,CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1,IUQSZUWRMNDZII,IUQSZUWRMNDZII-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15(19-13-7-8-14-23-19)28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-15H,1H3","""AuxInfo=1/0/N:1,11,10,12,21,20,27,26,9,13,22,19,28,25,2,8,17,18,23,7,16,4,24,14,15,5,6,3/E:(3,4)(9,10)/rA:28CCOCNNCCCCCCCNNCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s6d15;s16;s4d17;s18;d19;s20;s17d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-IURMBUSIFNQOEX_on_P41594_WT,High,ChEMBL30,CHEMBL3702435,Cc1coc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)n1,IURMBUSIFNQOEX,IURMBUSIFNQOEX-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c1-14-12-30-23(26-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-10-22(28)29)27-11-19(25-13-27)15-5-6-15/h2-4,9,11-13,15H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,28,17,27,3,21,2,24,11,10,6,23,29,19,15,5,18,22,30,20,14,16,4/E:(5,6)/rA:30CCCOCCCCCCCCCNCOCNCNCNCCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-IVAREHJIGRSXHE_on_P41594_WT,Medium,ChEMBL30,CHEMBL468525,Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3)cc2)ccc1,IVAREHJIGRSXHE,IVAREHJIGRSXHE-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O/c1-13-4-2-7-18(21-13)22-19(23)15-10-8-14(9-11-15)16-5-3-6-17(20)12-16/h2-12H,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,22,14,23,13,15,21,10,19,9,20,18,2,11,8,12,16,4,6,17,3,5,7/E:(8,9)(10,11)/rA:23CCNCNCOCCCCCCCCCClCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s16;s12d16;s11;s8d19;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-IVBZEDXONVQDIV_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2204440,COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C(=O)O)C3)cc2)cc1,IVBZEDXONVQDIV,IVBZEDXONVQDIV-UHFFFAOYSA-N,"InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)","""AuxInfo=1/1/N:1,17,18,8,7,10,25,5,26,11,24,4,27,16,23,9,6,12,19,3,13,20,15,14,21,22,2/E:(6,7)(8,9)(10,11)(12,13)(25,26)/rA:27COCCCCCCCCCCCONCCCCCOOCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;s15s19;s12;s9d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,=,  5.240;  5.240,5.24,0.0,0.0,2.0,5.24,0.0
-IVFFCJPNVPTZAQ_on_P41594_WT,High,ChEMBL30,CHEMBL4098854,O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1,IVFFCJPNVPTZAQ,IVFFCJPNVPTZAQ-UHFFFAOYSA-N,"InChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H","""AuxInfo=1/0/N:19,20,18,24,29,25,28,8,5,11,13,23,6,9,26,4,21,16,12,22,15,7,10,27,17,14,1,3,2/E:(4,5)(6,7)(9,10)(13,14)(22,23)(27,28)/CRV:29.6/rA:29OSOCCCClCCClCCCNCCFCCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;s16;d16;s18;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-IVFOBHCPKAEMSH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3976690,CC1(C)CC(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)C1,IVFOBHCPKAEMSH,IVFOBHCPKAEMSH-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)7-6-13-4-3-5-15(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,20,4,10,21,23,14,11,18,5,8,2,19,9,22,7,6/E:(1,2)(10,11)(20,21)/rA:23CCCCCONCNCCCCCCCCCFCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-IVFZMCVUWOAJHM_on_P14867_WT,Low,ChEMBL30,CHEMBL609751,COc1c(OC)cc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,IVFZMCVUWOAJHM,IVFZMCVUWOAJHM-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-10-13-6-4-5-7-15(13)24-19(18)14-8-9-16(21-2)17(11-14)22-3/h4-9,11,18-19H,10H2,1-3H3","""AuxInfo=1/0/N:21,1,6,14,15,13,16,23,24,17,7,20,12,8,11,3,4,18,9,22,2,5,19,10/rA:24COCCOCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s12;s9s17;s18;s19;s20;d20;s8;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-IVFZMCVUWOAJHM_on_P18507_WT,Low,ChEMBL30,CHEMBL609751,COc1c(OC)cc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,IVFZMCVUWOAJHM,IVFZMCVUWOAJHM-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-10-13-6-4-5-7-15(13)24-19(18)14-8-9-16(21-2)17(11-14)22-3/h4-9,11,18-19H,10H2,1-3H3","""AuxInfo=1/0/N:21,1,6,14,15,13,16,23,24,17,7,20,12,8,11,3,4,18,9,22,2,5,19,10/rA:24COCCOCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s12;s9s17;s18;s19;s20;d20;s8;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-IVFZMCVUWOAJHM_on_P47870_WT,Low,ChEMBL30,CHEMBL609751,COc1c(OC)cc(C2Oc3c(cccc3)CC2OC(C)=O)cc1,IVFZMCVUWOAJHM,IVFZMCVUWOAJHM-UHFFFAOYSA-N,"InChI=1S/C19H20O5/c1-12(20)23-18-10-13-6-4-5-7-15(13)24-19(18)14-8-9-16(21-2)17(11-14)22-3/h4-9,11,18-19H,10H2,1-3H3","""AuxInfo=1/0/N:21,1,6,14,15,13,16,23,24,17,7,20,12,8,11,3,4,18,9,22,2,5,19,10/rA:24COCCOCCCCOCCCCCCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s12;s9s17;s18;s19;s20;d20;s8;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-IVGTVZGLPHBTJV_on_O00591_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_O14764_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P14867_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P18505_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P18507_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P28472_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P31644_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P34903_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P47869_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P47870_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P48169_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_P78334_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_Q16445_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVGTVZGLPHBTJV_on_Q99928_WT,Low,ChEMBL30,CHEMBL128970,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N,IVGTVZGLPHBTJV,IVGTVZGLPHBTJV-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2F3N4S/c1-22-11-6(4-18)10(19)21(20-11)9-7(13)2-5(3-8(9)14)12(15,16)17/h2-3H,19H2,1H3","""AuxInfo=1/0/N:1,9,15,21,10,20,7,16,6,18,3,11,8,17,12,13,14,22,19,4,5,2/E:(2,3)(7,8)(13,14)(15,16,17)/rA:22CSCNNCCClCCCFFFCCClCNCCN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-IVKCGSOCXPXQAR_on_P41594_WT,High,ChEMBL30,CHEMBL2346739,CCc1c(-c2ccccc2)n(C)nc1C(=O)Nc1nc(C)ccc1,IVKCGSOCXPXQAR,IVKCGSOCXPXQAR-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,21,12,2,8,7,9,23,22,6,10,24,20,5,3,18,14,4,15,19,17,13,11,16/E:(6,7)(10,11)/rA:24CCCCCCCCCCNCNCCONCNCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s11;s3d13;s14;d15;s15;s17;d18;s19;s20;d20;s22;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-IVKYTIQNAJJPHW_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784105,Cc1c2c(N)c(C(=O)c3ccc(F)cc3)oc2nc(O)c1,IVKYTIQNAJJPHW,IVKYTIQNAJJPHW-UHFFFAOYSA-N,"InChI=1S/C15H11FN2O3/c1-7-6-10(19)18-15-11(7)12(17)14(21-15)13(20)8-2-4-9(16)5-3-8/h2-6H,17H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,10,15,11,14,21,2,9,12,19,3,4,7,6,17,13,5,18,20,8,16/E:(2,3)(4,5)/rA:21CCCCNCCOCCCCFCCOCNCOC/rB:s1;d2;s3;s4;d4;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s6;s3s16;d17;s18;s19;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786294,PMID:19443219,2009.0,PMID:19443219,2009,0,1,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-IVNZVVINRJLGRR_on_P14867_WT,Low,ChEMBL30,CHEMBL461511,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CCl)c12,IVNZVVINRJLGRR,IVNZVVINRJLGRR-UHFFFAOYSA-N,"InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,17,10,14,2,12,4/rA:18CNCOCCCCCClCNCNCCClC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IVNZVVINRJLGRR_on_P18507_WT,Low,ChEMBL30,CHEMBL461511,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CCl)c12,IVNZVVINRJLGRR,IVNZVVINRJLGRR-UHFFFAOYSA-N,"InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,17,10,14,2,12,4/rA:18CNCOCCCCCClCNCNCCClC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IVNZVVINRJLGRR_on_P28472_WT,Low,ChEMBL30,CHEMBL461511,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CCl)c12,IVNZVVINRJLGRR,IVNZVVINRJLGRR-UHFFFAOYSA-N,"InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,17,10,14,2,12,4/rA:18CNCOCCCCCClCNCNCCClC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IVNZVVINRJLGRR_on_P31644_WT,Medium,ChEMBL30,CHEMBL461511,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CCl)c12,IVNZVVINRJLGRR,IVNZVVINRJLGRR-UHFFFAOYSA-N,"InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,17,10,14,2,12,4/rA:18CNCOCCCCCClCNCNCCClC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IVPJEINTAYGTFN_on_Q14416_WT,High,ChEMBL30,CHEMBL604472,CCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2,IVPJEINTAYGTFN,IVPJEINTAYGTFN-UHFFFAOYSA-N,"InChI=1S/C18H21ClN6/c1-2-25-16-6-4-3-5-15(16)22-17(25)13-23-7-9-24(10-8-23)18-20-11-14(19)12-21-18/h3-6,11-12H,2,7-10,13H2,1H3","""AuxInfo=1/0/N:1,2,24,23,25,22,7,18,8,17,12,15,5,13,20,21,4,10,14,11,16,19,6,9,3/E:(7,8)(9,10)(11,12)(20,21)/rA:25CCNCCNCCNCNCCClCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;s6s17;d4;s19;s3d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-IVPKKLVYDLVEIX_on_P41594_WT,High,ChEMBL30,CHEMBL382337,Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1,IVPKKLVYDLVEIX,IVPKKLVYDLVEIX-UHFFFAOYSA-N,"InChI=1S/C11H13N5O2/c1-7-3-4-8(12-5-7)13-11(18)15-10-14-9(17)6-16(10)2/h3-5H,6H2,1-2H3,(H2,12,13,14,15,17,18)","""AuxInfo=1/1/N:1,16,18,17,3,14,2,5,12,10,7,4,6,11,9,15,13,8/rA:18CCCNCNCONCNCOCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;w?10;s11;d12;s12;s10s14;s15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-IVRWALPRJLVBSN_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684111,O=C1NCCc2c1ccc(C#Cc1ccc(F)cc1)c2,IVRWALPRJLVBSN,IVRWALPRJLVBSN-UHFFFAOYSA-N,"InChI=1S/C17H12FNO/c18-15-6-3-12(4-7-15)1-2-13-5-8-16-14(11-13)9-10-19-17(16)20/h3-8,11H,9-10H2,(H,19,20)","""AuxInfo=1/1/N:12,11,14,19,9,15,18,8,5,4,20,13,10,6,16,7,2,17,3,1/E:(3,4)(6,7)/rA:20OCNCCCCCCCCCCCCCFCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-IVUAAOBNUNMJQC_on_P14867_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-IVUAAOBNUNMJQC_on_P18507_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.540;  6.630;  6.460;  6.850,6.62,0.146,0.084,4.0,6.585,0.085
-IVUAAOBNUNMJQC_on_P28472_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.630;  6.460;  6.850;  6.540,6.62,0.146,0.084,4.0,6.585,0.085
-IVUAAOBNUNMJQC_on_P31644_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-IVUAAOBNUNMJQC_on_P34903_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-IVUAAOBNUNMJQC_on_P47869_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-IVUAAOBNUNMJQC_on_Q16445_WT,Low,ChEMBL30,CHEMBL13458,O=C1CN=C(c2ccccc2)c2c(cccc2)N1,IVUAAOBNUNMJQC,IVUAAOBNUNMJQC-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)","""AuxInfo=1/1/N:9,8,10,16,15,7,11,17,14,3,6,12,13,2,5,4,18,1/E:(2,3)(6,7)/rA:18OCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2s13;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-IVVHFTRDYKTGCC_on_P14867_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-IVVHFTRDYKTGCC_on_P18507_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.960;  8.320;  8.440;  8.370,8.523,0.256,0.14800000000000002,4.0,8.405,0.06
-IVVHFTRDYKTGCC_on_P28472_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL676826;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.370;  8.320;  8.440;  8.960,8.522,0.256,0.14800000000000002,4.0,8.405,0.06
-IVVHFTRDYKTGCC_on_P31644_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-IVVHFTRDYKTGCC_on_P34903_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-IVVHFTRDYKTGCC_on_P47869_WT,Low,ChEMBL30,CHEMBL300497,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,IVVHFTRDYKTGCC,IVVHFTRDYKTGCC-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-11-12-17(23-13-15)14-28-22-19-10-6-5-9-18(19)21-25-24-20(27(21)26-22)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,25,24,13,17,26,23,28,27,3,6,2,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(7,8)/rA:28CCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-IVWWFFMAUZALFG_on_P41594_WT,Low,ChEMBL30,CHEMBL363882,N#Cc1cccc(-c2cn(-c3ncccc3)cn2)c1,IVWWFFMAUZALFG,IVWWFFMAUZALFG-UHFFFAOYSA-N,"InChI=1S/C15H10N4/c16-9-12-4-3-5-13(8-12)14-10-19(11-18-14)15-6-1-2-7-17-15/h1-8,10-11H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,9,17,3,7,8,11,1,12,18,10/rA:19NCCCCCCCCNCNCCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IVXXSCFPBJLDFZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290051,OC1CN(CCCCc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,IVXXSCFPBJLDFZ,IVXXSCFPBJLDFZ-UHFFFAOYSA-N,"InChI=1S/C27H31NO2/c29-27-20-28(17-8-7-11-22-9-3-1-4-10-22)18-16-24-19-25(14-15-26(24)27)30-21-23-12-5-2-6-13-23/h1-6,9-10,12-15,19,27,29H,7-8,11,16-18,20-21H2","""AuxInfo=1/0/N:12,27,11,13,26,28,7,6,10,14,8,25,29,20,19,16,5,15,30,3,23,9,24,17,21,18,2,4,1,22/E:(3,4)(5,6)(9,10)(12,13)/rA:30OCCNCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-IVXXSCFPBJLDFZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290051,OC1CN(CCCCc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,IVXXSCFPBJLDFZ,IVXXSCFPBJLDFZ-UHFFFAOYSA-N,"InChI=1S/C27H31NO2/c29-27-20-28(17-8-7-11-22-9-3-1-4-10-22)18-16-24-19-25(14-15-26(24)27)30-21-23-12-5-2-6-13-23/h1-6,9-10,12-15,19,27,29H,7-8,11,16-18,20-21H2","""AuxInfo=1/0/N:12,27,11,13,26,28,7,6,10,14,8,25,29,20,19,16,5,15,30,3,23,9,24,17,21,18,2,4,1,22/E:(3,4)(5,6)(9,10)(12,13)/rA:30OCCNCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-IVZIOBTVAJBBAS_on_P14867_WT,Low,ChEMBL30,CHEMBL205257,CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1,IVZIOBTVAJBBAS,IVZIOBTVAJBBAS-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,12,11,15,17,13,9,6,10,7,4,14,16,8,5,3/rA:17CCOCOCCOCCCCCBrCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s9d13;s10;s6d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-IVZIOBTVAJBBAS_on_P18505_WT,Low,ChEMBL30,CHEMBL205257,CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1,IVZIOBTVAJBBAS,IVZIOBTVAJBBAS-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,12,11,15,17,13,9,6,10,7,4,14,16,8,5,3/rA:17CCOCOCCOCCCCCBrCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s9d13;s10;s6d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-IVZIOBTVAJBBAS_on_P18507_WT,Low,ChEMBL30,CHEMBL205257,CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1,IVZIOBTVAJBBAS,IVZIOBTVAJBBAS-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,12,11,15,17,13,9,6,10,7,4,14,16,8,5,3/rA:17CCOCOCCOCCCCCBrCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s9d13;s10;s6d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861815;CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.850;  7.580,7.715,0.135,0.135,2.0,7.715,0.135
-IVZIOBTVAJBBAS_on_P34903_WT,Low,ChEMBL30,CHEMBL205257,CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1,IVZIOBTVAJBBAS,IVZIOBTVAJBBAS-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,12,11,15,17,13,9,6,10,7,4,14,16,8,5,3/rA:17CCOCOCCOCCCCCBrCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s9d13;s10;s6d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-IVZIOBTVAJBBAS_on_P47870_WT,Low,ChEMBL30,CHEMBL205257,CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1,IVZIOBTVAJBBAS,IVZIOBTVAJBBAS-UHFFFAOYSA-N,"InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)","""AuxInfo=1/1/N:1,2,12,11,15,17,13,9,6,10,7,4,14,16,8,5,3/rA:17CCOCOCCOCCCCCBrCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s9d13;s10;s6d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-IWBBGNZPEIAVFV_on_O15399_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-IWBBGNZPEIAVFV_on_O60391_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-IWBBGNZPEIAVFV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-IWBBGNZPEIAVFV_on_Q05586_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420;  7.110,6.765,0.345,0.345,2.0,6.765,0.345
-IWBBGNZPEIAVFV_on_Q12879_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-IWBBGNZPEIAVFV_on_Q13224_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.110;  6.420,6.765,0.345,0.345,2.0,6.765,0.345
-IWBBGNZPEIAVFV_on_Q14957_WT,Low,ChEMBL30,CHEMBL123908,O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1,IWBBGNZPEIAVFV,IWBBGNZPEIAVFV-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2","""AuxInfo=1/0/N:21,20,22,11,19,23,12,10,15,24,14,25,17,4,18,16,5,3,8,6,2,7,13,9,1/E:(2,3)(5,6)(9,10)(11,12)/rA:25OCCCCCNCOCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s5d11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-IWBFTOGNHZBBLC_on_P41594_WT,High,ChEMBL30,CHEMBL3633959,O=C(c1ccno1)N1CCCn2nc(COc3ccccc3)cc12,IWBFTOGNHZBBLC,IWBFTOGNHZBBLC-UHFFFAOYSA-N,"InChI=1S/C17H16N4O3/c22-17(15-7-8-18-24-15)20-9-4-10-21-16(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2","""AuxInfo=1/0/N:20,19,21,10,18,22,4,5,9,11,23,15,14,17,3,24,2,6,13,8,12,1,16,7/E:(2,3)(5,6)/rA:24OCCCCNONCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s8s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.560;  5.560,5.56,0.0,0.0,2.0,5.56,0.0
-IWCAMQMPTNFBOA_on_Q05586_WT,Low,ChEMBL30,CHEMBL159425,N=C(C=Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1,IWCAMQMPTNFBOA,IWCAMQMPTNFBOA-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-7-8-15(18)13(10-14)11-20-16(19)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,4,17,16,3,20,12,5,13,18,14,2,19,15,1,11/E:(2,3)(4,5)/rA:20NCCCCCCCCCNCCCClCCCClC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-IWCAMQMPTNFBOA_on_Q13224_WT,Low,ChEMBL30,CHEMBL159425,N=C(C=Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1,IWCAMQMPTNFBOA,IWCAMQMPTNFBOA-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-7-8-15(18)13(10-14)11-20-16(19)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,4,17,16,3,20,12,5,13,18,14,2,19,15,1,11/E:(2,3)(4,5)/rA:20NCCCCCCCCCNCCCClCCCClC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;d16;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-IWCMPWBFSLXLTM_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094123,CCCCCCC1CN(c2c(O)cccc2)C(=O)O1,IWCMPWBFSLXLTM,IWCMPWBFSLXLTM-UHFFFAOYSA-N,"InChI=1S/C15H21NO3/c1-2-3-4-5-8-12-11-16(15(18)19-12)13-9-6-7-10-14(13)17/h6-7,9-10,12,17H,2-5,8,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,15,14,6,16,13,8,7,10,11,17,9,12,18,19/rA:19CCCCCCCCNCCOCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-IWDQSVVSBRIEPZ_on_Q14416_WT,High,ChEMBL30,CHEMBL4279401,CCc1cn2CC(COc3ccc(-c4c(C)c(C)ccc4)cc3)Oc2nc1=O,IWDQSVVSBRIEPZ,IWDQSVVSBRIEPZ-UHFFFAOYSA-N,"InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3","""AuxInfo=1/0/N:1,18,16,2,20,19,21,12,22,11,23,4,6,8,17,15,3,13,10,7,14,27,25,26,5,28,9,24/E:(8,9)(10,11)/rA:28CCCCNCCCOCCCCCCCCCCCCCCOCNCO/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s15;s17;d17;s19;s14d20;s13;s10d22;s7;s5s24;d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-IWENPVLCRBESMO_on_Q14833_WT,High,ChEMBL30,CHEMBL3609739,N#Cc1c(Br)ccc(NC(=O)c2ncccc2)c1,IWENPVLCRBESMO,IWENPVLCRBESMO-UHFFFAOYSA-N,"InChI=1S/C13H8BrN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)","""AuxInfo=1/1/N:16,15,17,7,6,14,18,2,3,8,4,12,10,5,1,13,9,11/rA:18NCCCBrCCCNCOCNCCCCC/rB:t1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  7.330;  7.330,7.33,0.0,0.0,2.0,7.33,0.0
-IWEREUOTQKDJCO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3923457,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC4CC4)c(OC(F)(F)F)c3)n2)cc(C)n1,IWEREUOTQKDJCO,IWEREUOTQKDJCO-UHFFFAOYSA-N,"InChI=1S/C24H24F3N3O3/c1-14-11-17(12-15(2)28-14)22-19-7-9-31-10-8-30(19)23(29-22)16-3-6-20(32-18-4-5-18)21(13-16)33-24(25,26)27/h3,6,11-13,18H,4-5,7-10H2,1-2H3","""AuxInfo=1/0/N:1,32,15,20,21,16,7,11,8,10,3,30,28,2,31,14,4,19,6,17,22,5,13,24,25,26,27,33,29,12,9,18,23/E:(1,2)(4,5)(11,12)(14,15)(25,26,27)/rA:33CCCCCCCCOCCNCCCCCOCCCCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19s20;s17;s22;s23;s24;s24;s24;s14d22;s5d13;d4;s30;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-IWGIGWVBRRPGPC_on_O00222_WT,High,ExCAPE-DB,8114882,CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,IWGIGWVBRRPGPC,IWGIGWVBRRPGPC-UHFFFAOYSA-N,"InChI=1S/C18H22N2O2S/c1-5-20-12(2)10-17(13(20)3)18(22)11-23-16-8-6-15(7-9-16)19-14(4)21/h6-10H,5,11H2,1-4H3,(H,19,21)","""AuxInfo=1/1/N:1,5,23,18,2,14,20,13,21,6,10,4,22,17,15,12,7,8,16,3,19,9,11/E:(6,7)(8,9)/rA:23CCNCCCCCOCSCCCCNCCOCCCC/rB:s1;s2;s3;s4;d4;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;s17;d17;s15;s12d20;s3d7;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IWGIGWVBRRPGPC_on_Q14831_WT,Low,ChEMBL30,CHEMBL3559748,CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,IWGIGWVBRRPGPC,IWGIGWVBRRPGPC-UHFFFAOYSA-N,"InChI=1S/C18H22N2O2S/c1-5-20-12(2)10-17(13(20)3)18(22)11-23-16-8-6-15(7-9-16)19-14(4)21/h6-10H,5,11H2,1-4H3,(H,19,21)","""AuxInfo=1/1/N:1,5,23,18,2,14,20,13,21,6,10,4,22,17,15,12,7,8,16,3,19,9,11/E:(6,7)(8,9)/rA:23CCNCCCCCOCSCCCCNCCOCCCC/rB:s1;s2;s3;s4;d4;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;s17;d17;s15;s12d20;s3d7;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IWGIGWVBRRPGPC_on_Q14833_WT,High,ExCAPE-DB,8114882,CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,IWGIGWVBRRPGPC,IWGIGWVBRRPGPC-UHFFFAOYSA-N,"InChI=1S/C18H22N2O2S/c1-5-20-12(2)10-17(13(20)3)18(22)11-23-16-8-6-15(7-9-16)19-14(4)21/h6-10H,5,11H2,1-4H3,(H,19,21)","""AuxInfo=1/1/N:1,5,23,18,2,14,20,13,21,6,10,4,22,17,15,12,7,8,16,3,19,9,11/E:(6,7)(8,9)/rA:23CCNCCCCCOCSCCCCNCCOCCCC/rB:s1;s2;s3;s4;d4;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;s17;d17;s15;s12d20;s3d7;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IWGZEKUPSFRPRA_on_Q14833_WT,High,ChEMBL30,CHEMBL1909431,O=C(Nc1ccc(NC(=O)c2ncccc2)cc1Cl)c1cc(Cl)cc(Cl)c1,IWGZEKUPSFRPRA,IWGZEKUPSFRPRA-UHFFFAOYSA-N,"InChI=1S/C19H12Cl3N3O2/c20-12-7-11(8-13(21)9-12)18(26)25-16-5-4-14(10-15(16)22)24-19(27)17-3-1-2-6-23-17/h1-10H,(H,24,27)(H,25,26)","""AuxInfo=1/1/N:15,14,16,6,5,13,21,27,24,17,20,22,25,7,18,4,11,2,9,23,26,19,12,8,3,1,10/E:(7,8)(12,13)(20,21)/rA:27OCNCCCCNCOCNCCCCCCClCCCClCCClC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s7;s4d17;s18;s2;d20;s21;s22;d22;s24;s25;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-IWHFCYRFOMASRN_on_P41594_WT,High,ChEMBL30,CHEMBL3702392,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)c1,IWHFCYRFOMASRN,IWHFCYRFOMASRN-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-29-18-5-2-4-17(14-18)21-15-23-19-6-3-7-22(26-10-12-30-13-11-26)20(19)8-9-27(23)24(28)16-25-21/h2-7,14-15H,8-13,16H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,23,27,24,26,30,29,10,7,3,17,16,8,21,28,11,9,22,13,12,2,25/E:(10,11)(12,13)/rA:30COCCCCCCNCCONCCCCCCCCNCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s25;s22s26;s13s17;s8w?28;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-IWHFCYRFOMASRN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702392,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)c1,IWHFCYRFOMASRN,IWHFCYRFOMASRN-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-29-18-5-2-4-17(14-18)21-15-23-19-6-3-7-22(26-10-12-30-13-11-26)20(19)8-9-27(23)24(28)16-25-21/h2-7,14-15H,8-13,16H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,23,27,24,26,30,29,10,7,3,17,16,8,21,28,11,9,22,13,12,2,25/E:(10,11)(12,13)/rA:30COCCCCCCNCCONCCCCCCCCNCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s25;s22s26;s13s17;s8w?28;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IWIAZAJMAHAFDU_on_P18507_WT,Low,ChEMBL30,CHEMBL193092,CCOC(=O)c1cn(-c2cc(Cl)ccc2)c(-c2ccccc2)n1,IWIAZAJMAHAFDU,IWIAZAJMAHAFDU-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,14,18,22,13,15,10,7,17,11,9,6,16,4,12,23,8,5,3/E:(4,5)(7,8)/rA:23CCOCOCCNCCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s8;s16;d17;s18;d19;s20;s17d21;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-IWIAZAJMAHAFDU_on_P47869_WT,Low,ChEMBL30,CHEMBL193092,CCOC(=O)c1cn(-c2cc(Cl)ccc2)c(-c2ccccc2)n1,IWIAZAJMAHAFDU,IWIAZAJMAHAFDU-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,14,18,22,13,15,10,7,17,11,9,6,16,4,12,23,8,5,3/E:(4,5)(7,8)/rA:23CCOCOCCNCCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s8;s16;d17;s18;d19;s20;s17d21;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-IWIAZAJMAHAFDU_on_P47870_WT,Low,ChEMBL30,CHEMBL193092,CCOC(=O)c1cn(-c2cc(Cl)ccc2)c(-c2ccccc2)n1,IWIAZAJMAHAFDU,IWIAZAJMAHAFDU-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-10-6-9-14(19)11-15)17(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,14,18,22,13,15,10,7,17,11,9,6,16,4,12,23,8,5,3/E:(4,5)(7,8)/rA:23CCOCOCCNCCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s8;s16;d17;s18;d19;s20;s17d21;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-IWIBYBPICASXRI_on_O00222_WT,High,ExCAPE-DB,10353365,NC1(C(=O)O)C=S(O)C2C(C(=O)O)C21,IWIBYBPICASXRI,IWIBYBPICASXRI-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h1-4,13H,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCSOCCCOOC/rB:s1;s2;d3;s3;s2;w?6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:275491,PubChemAID:275491,2010.0,PubChemAID:275491,2010,0,0,0,0,1,,=,  5.513,5.513,0.0,0.0,1.0,5.513,0.0
-IWIBYBPICASXRI_on_Q14416_WT,High,ExCAPE-DB,10353365,NC1(C(=O)O)C=S(O)C2C(C(=O)O)C21,IWIBYBPICASXRI,IWIBYBPICASXRI-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h1-4,13H,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCSOCCCOOC/rB:s1;s2;d3;s3;s2;w?6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:275489,PubChemAID:275489,2010.0,PubChemAID:275489,2010,0,0,0,0,1,,=, 10.051,10.051,0.0,0.0,1.0,10.051,0.0
-IWIBYBPICASXRI_on_Q14832_WT,High,ExCAPE-DB,10353365,NC1(C(=O)O)C=S(O)C2C(C(=O)O)C21,IWIBYBPICASXRI,IWIBYBPICASXRI-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h1-4,13H,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCSOCCCOOC/rB:s1;s2;d3;s3;s2;w?6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:275488,PubChemAID:275488,2010.0,PubChemAID:275488,2010,0,0,0,0,1,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-IWIQADUKHWVVCF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44416142;CHEMBL384991,COc1cc(OCC#Cc2ccc(C)cn2)ccc1,IWIQADUKHWVVCF,IWIQADUKHWVVCF-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-8-9-14(17-12-13)5-4-10-19-16-7-3-6-15(11-16)18-2/h3,6-9,11-12H,10H2,1-2H3","""AuxInfo=1/0/N:14,1,18,8,9,19,17,12,11,7,4,15,13,10,3,5,16,2,6/rA:19COCCCOCCCCCCCCCNCCC/rB:s1;s2;d3;s4;s5;s6;s7;t8;s9;d10;s11;d12;s13;s13;s10d15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270777;CHEMBL864285,PMID:16839764,2006.0,PubChemAID:270777;PMID:16839764,2010;2006,0;1,0,0,0,1;0,,=,  5.101;  5.100,5.101,0.001,0.001,2.0,5.101,0.001
-IWJRDPWZVOOBCD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786928,Cc1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccccc3)cc2)occ1,IWJRDPWZVOOBCD,IWJRDPWZVOOBCD-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O3/c1-12-9-10-25-17(12)19(24)21-14-7-8-16(15(20)11-14)22-18(23)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,18,17,19,16,20,22,21,25,24,8,2,15,7,9,11,3,13,4,10,6,12,14,5,23/E:(3,4)(5,6)/rA:25CCCCONCCCClCNCOCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s7d21;s3;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-IWKMJWXZSYAPHL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946909,CC1(C)OC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,IWKMJWXZSYAPHL,IWKMJWXZSYAPHL-UHFFFAOYSA-N,"InChI=1S/C22H18FN3O4/c1-22(2)20(28)26(21(29)30-22)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(24)27)25-17(15)9-12/h3-10H,11H2,1-2H3,(H2,24,27)","""AuxInfo=1/1/N:1,3,10,15,20,16,19,11,28,21,8,9,14,17,12,13,27,22,23,29,5,2,18,24,26,7,25,30,6,4/E:(1,2)(4,5)(6,7)/rA:30CCCOCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s2s7;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-IWNKYSQGZHRHNW_on_P41594_WT,High,ChEMBL30,CHEMBL3896304,CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)c1,IWNKYSQGZHRHNW,IWNKYSQGZHRHNW-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O3/c1-10(14-8-15(28-24-14)11-4-3-5-13(19)6-11)27-18-23-22-17(25(18)2)12-7-16(26)21-20-9-12/h3-10H,1-2H3,(H,21,26)","""AuxInfo=1/1/N:1,16,26,27,25,22,14,28,9,2,21,8,23,17,20,12,7,4,24,10,11,6,5,18,15,13,3,19/rA:28CCOCNNCCCNNCOCNCCNOCCCCClCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-IWQQSOFHNNNAAB_on_Q13224_WT,Medium,ChEMBL30,CHEMBL349067,N=C(NCc1ccccc1)c1ccc(-c2ccccc2)cc1,IWQQSOFHNNNAAB,IWQQSOFHNNNAAB-UHFFFAOYSA-N,"InChI=1S/C20H18N2/c21-20(22-15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2,(H2,21,22)","""AuxInfo=1/1/N:8,18,7,9,17,19,6,10,16,20,13,21,12,22,4,5,15,14,11,2,1,3/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22NCNCCCCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-IWRMGYMYZZIJHQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44416005;CHEMBL379150,Cc1nc(C#Cc2cc3c(cccc3)s2)ccc1,IWRMGYMYZZIJHQ,IWRMGYMYZZIJHQ-UHFFFAOYSA-N,"InChI=1S/C16H11NS/c1-12-5-4-7-14(17-12)9-10-15-11-13-6-2-3-8-16(13)18-15/h2-8,11H,1H3","""AuxInfo=1/0/N:1,13,12,17,18,14,16,11,5,6,8,2,9,4,7,10,3,15/rA:18CCNCCCCCCCCCCCSCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270780;CHEMBL856303,PMID:16837196,2006.0,PubChemAID:270780;PMID:16837196,2010;2006,0;1,0,0,0,1;0,,=,  6.514;  6.510,6.5120000000000005,0.002,0.002,2.0,6.5120000000000005,0.002
-IWSHCMVSVZSTRY_on_P41594_WT,High,ChEMBL30,CHEMBL3702455,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,IWSHCMVSVZSTRY,IWSHCMVSVZSTRY-UHFFFAOYSA-N,"InChI=1S/C25H22FN5O/c26-25-20(8-3-10-27-25)17-6-2-7-19-18(17)9-11-31-22(19)12-23(28-13-24(31)32)30-14-21(29-15-30)16-4-1-5-16/h2-3,6-8,10,12,14-16H,1,4-5,9,11,13H2","""AuxInfo=1/0/N:12,31,25,11,13,30,32,24,19,26,20,15,3,14,7,10,22,18,17,23,9,16,5,2,28,29,27,4,8,6,21,1/E:(4,5)/rA:32OCCNCNCNCCCCCCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;d23;s24;d25;s26;s23d27;s28;d22;s30;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-IWSHCMVSVZSTRY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702455,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,IWSHCMVSVZSTRY,IWSHCMVSVZSTRY-UHFFFAOYSA-N,"InChI=1S/C25H22FN5O/c26-25-20(8-3-10-27-25)17-6-2-7-19-18(17)9-11-31-22(19)12-23(28-13-24(31)32)30-14-21(29-15-30)16-4-1-5-16/h2-3,6-8,10,12,14-16H,1,4-5,9,11,13H2","""AuxInfo=1/0/N:12,31,25,11,13,30,32,24,19,26,20,15,3,14,7,10,22,18,17,23,9,16,5,2,28,29,27,4,8,6,21,1/E:(4,5)/rA:32OCCNCNCNCCCCCCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;d23;s24;d25;s26;s23d27;s28;d22;s30;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-IWSOVWGKYIPUOH_on_O00222_WT,High,ChEMBL30,CHEMBL4059974,NC(CCP(=O)(O)C(O)c1ccc(O)nc1)C(=O)O,IWSOVWGKYIPUOH,IWSOVWGKYIPUOH-UHFFFAOYSA-N,"InChI=1S/C10H15N2O6P/c11-7(9(14)15)3-4-19(17,18)10(16)6-1-2-8(13)12-5-6/h1-2,5,7,10,16H,3-4,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,16,10,2,13,17,8,1,15,14,18,19,9,6,7,5/E:(14,15)(17,18)/rA:19NCCCPOOCOCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s10d15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-IWSOVWGKYIPUOH_on_Q14833_WT,High,ChEMBL30,CHEMBL4059974,NC(CCP(=O)(O)C(O)c1ccc(O)nc1)C(=O)O,IWSOVWGKYIPUOH,IWSOVWGKYIPUOH-UHFFFAOYSA-N,"InChI=1S/C10H15N2O6P/c11-7(9(14)15)3-4-19(17,18)10(16)6-1-2-8(13)12-5-6/h1-2,5,7,10,16H,3-4,11H2,(H,12,13)(H,14,15)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,16,10,2,13,17,8,1,15,14,18,19,9,6,7,5/E:(14,15)(17,18)/rA:19NCCCPOOCOCCCCONCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s10d15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-IWTCUKCWSWEELG_on_P41594_WT,Low,ChEMBL30,CHEMBL1684117,O=C1NCCc2c1ccc(C#Cc1ccc(Cl)cc1)c2,IWTCUKCWSWEELG,IWTCUKCWSWEELG-UHFFFAOYSA-N,"InChI=1S/C17H12ClNO/c18-15-6-3-12(4-7-15)1-2-13-5-8-16-14(11-13)9-10-19-17(16)20/h3-8,11H,9-10H2,(H,19,20)","""AuxInfo=1/1/N:12,11,14,19,9,15,18,8,5,4,20,13,10,6,16,7,2,17,3,1/E:(3,4)(6,7)/rA:20OCNCCCCCCCCCCCCCClCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IWTWFERWDUPNML_on_P41594_WT,High,ChEMBL30,CHEMBL3644384,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ncc3,IWTWFERWDUPNML,IWTWFERWDUPNML-UHFFFAOYSA-N,"InChI=1S/C20H20N6O/c27-18-10-22-17(26-11-23-20(24-26)13-3-4-13)9-16-14-5-7-21-19(12-1-2-12)15(14)6-8-25(16)18/h5,7,9,11-13H,1-4,6,8,10H2","""AuxInfo=1/0/N:23,24,11,12,27,18,26,19,14,3,7,22,10,16,17,15,5,2,21,9,25,4,8,13,20,6,1/E:(1,2)(3,4)/rA:27OCCNCNCNCCCCNCCCCCCNCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-IWTWFERWDUPNML_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644384,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ncc3,IWTWFERWDUPNML,IWTWFERWDUPNML-UHFFFAOYSA-N,"InChI=1S/C20H20N6O/c27-18-10-22-17(26-11-23-20(24-26)13-3-4-13)9-16-14-5-7-21-19(12-1-2-12)15(14)6-8-25(16)18/h5,7,9,11-13H,1-4,6,8,10H2","""AuxInfo=1/0/N:23,24,11,12,27,18,26,19,14,3,7,22,10,16,17,15,5,2,21,9,25,4,8,13,20,6,1/E:(1,2)(3,4)/rA:27OCCNCNCNCCCCNCCCCCCNCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IXALVYMZTHYUPZ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209432,CNc1nccc(C=Cc2ccccc2)n1,IXALVYMZTHYUPZ,IXALVYMZTHYUPZ-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-14-13-15-10-9-12(16-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,13,12,14,11,15,9,8,6,5,10,7,3,2,4,16/E:(3,4)(5,6)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;d10;s11;d12;s13;s10d14;s3d7;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-IXBVIJYDMXBSFT_on_P41594_WT,Low,ChEMBL30,CHEMBL384514,Cc1nc(C#CC[S+]([O-])c2ccccc2)ccc1,IXBVIJYDMXBSFT,IXBVIJYDMXBSFT-UHFFFAOYSA-N,"InChI=1S/C15H13NOS/c1-13-7-5-8-14(16-13)9-6-12-18(17)15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3","""AuxInfo=1/0/N:1,13,12,14,17,6,18,16,5,11,15,7,2,4,10,3,9,8/E:(3,4)(10,11)/rA:18CCNCCCCS+O-CCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;s8;d10;s11;d12;s13;s10d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-IXCOPFVWBKXRLB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113614,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)cc(C)n1,IXCOPFVWBKXRLB,IXCOPFVWBKXRLB-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O/c1-12-8-16(9-13(2)27-12)20-19-6-7-30-14(3)11-29(19)21(28-20)15-4-5-17(18(23)10-15)22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,18,23,6,5,14,19,24,20,21,22,30,26,13,9/E:(1,2)(8,9)(12,13)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-IXGIOXIKQZCZIK_on_P14867_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL676825;CHEMBL822165,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  7.940;  7.940;  7.940,7.94,0.0,0.0,3.0,7.94,0.0
-IXGIOXIKQZCZIK_on_P18507_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676825;CHEMBL678740;CHEMBL677845;CHEMBL681840;CHEMBL681480;CHEMBL683045;CHEMBL682251;CHEMBL678329;CHEMBL681248;CHEMBL685338;CHEMBL823916;CHEMBL822165;CHEMBL824296;CHEMBL683047,PMID:8627617,1996.0,PMID:8627617;PMID:8627617;PMID:8627617;PMID:8627617;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,1996;1996;1996;1996;2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.940;  8.040;  8.030;  7.970;  9.330;  8.030;  8.040;  7.940;  7.970;  9.330;  8.040;  7.940;  7.970;  8.030,8.186,0.469,0.13,14.0,8.03,0.06
-IXGIOXIKQZCZIK_on_P28472_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683045;CHEMBL682251;CHEMBL678329;CHEMBL822165;CHEMBL685338;CHEMBL823916;CHEMBL683047;CHEMBL824296;CHEMBL681480;CHEMBL681248,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039,2000;2000;2000;1998;1998;1998;1998;1998;2000;2000,0,0,0,1,0,,=,  8.030;  8.040;  7.940;  7.940;  9.330;  8.040;  8.030;  7.970;  9.330;  7.970,8.262,0.535,0.17800000000000002,10.0,8.03,0.06
-IXGIOXIKQZCZIK_on_P31644_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  9.330;  9.330,9.33,0.0,0.0,2.0,9.33,0.0
-IXGIOXIKQZCZIK_on_P34903_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678740;CHEMBL823916;CHEMBL682251,PMID:8627617,1996.0,PMID:8627617;PMID:9767648;PMID:10633039,1996;1998;2000,0,0,0,1,0,,=,  8.040;  8.040;  8.040,8.04,0.0,0.0,3.0,8.04,0.0
-IXGIOXIKQZCZIK_on_P47869_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL681840;CHEMBL824296,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  7.970;  7.970;  7.970,7.97,0.0,0.0,3.0,7.97,0.0
-IXGIOXIKQZCZIK_on_P47870_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677845;CHEMBL678740;CHEMBL681840;CHEMBL676825,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  8.030;  8.040;  7.970;  7.940,7.995,0.042,0.024,4.0,8.0,0.035
-IXGIOXIKQZCZIK_on_Q16445_WT,Low,ChEMBL30,CHEMBL6655,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O,IXGIOXIKQZCZIK,IXGIOXIKQZCZIK-UHFFFAOYSA-N,"InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL677845;CHEMBL683045,PMID:8627617,1996.0,PMID:9767648;PMID:8627617;PMID:10633039,1998;1996;2000,0,0,0,1,0,,=,  8.030;  8.030;  8.030,8.03,0.0,0.0,3.0,8.03,0.0
-IXGOIVLQUGJDTP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3947441,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4cccnc4)nc4ccccc43)cc2n1,IXGOIVLQUGJDTP,IXGOIVLQUGJDTP-UHFFFAOYSA-N,"InChI=1S/C29H20FN5O/c30-21-10-8-19(9-11-21)23-15-26(28(31)36)33-25-14-18(7-12-22(23)25)17-35-27-6-2-1-5-24(27)34-29(35)20-4-3-13-32-16-20/h1-16H,17H2,(H2,31,36)","""AuxInfo=1/1/N:30,31,23,22,29,32,16,8,13,9,12,15,24,34,5,26,18,17,7,21,10,14,6,28,35,4,33,2,20,11,1,25,36,27,19,3/E:(8,9)(10,11)/rA:36NCOCCCCCCCFCCCCCCCNCCCCCNCNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;d20;s27;d28;s29;d30;s31;s19s28d32;d17;s14s34;s4d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-IXHCGJXBIHHIEF_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223381;46934289,O=C(Nc1cc(Cl)c(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ccccn1,IXHCGJXBIHHIEF,IXHCGJXBIHHIEF-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)","""AuxInfo=1/1/N:17,18,24,25,16,19,23,21,20,26,5,4,14,6,13,22,8,2,15,7,27,3,12,1,10,11,9/E:(25,26)/CRV:27.6/rA:27OCNCCCClCSOONCCClCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;d9;d9;s9;s12;d13;s14;s14;d16;s17;s13d18;s8;s4d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810871;PubChemAID:501614,PMID:20667732,2010.0,PMID:27234146;PubChemAID:501614,2016;2011,0,1;0,0,0,0;1,,=,  7.700;  7.703,7.702000000000001,0.002,0.002,2.0,7.702000000000001,0.002
-IXLFGTLICMOEJQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713019;CHEMBL2403690,O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2,IXLFGTLICMOEJQ,IXLFGTLICMOEJQ-UHFFFAOYSA-N,"InChI=1S/C19H15F3N2OS/c20-14-3-1-2-12(8-14)4-5-17-23-15-6-7-24(11-16(15)26-17)18(25)13-9-19(21,22)10-13/h1-3,8,13H,6-7,9-11H2","""AuxInfo=1/0/N:21,20,22,18,17,11,10,25,4,8,14,19,3,23,12,13,16,2,5,24,6,7,26,9,1,15/E:(9,10)(21,22)/rA:26OCCCCFFCNCCCCCSCCCCCCCCFCN/rB:d1;s2;s3;s4;s5;s5;s3s5;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  8.602;  8.600,8.601,0.001,0.001,2.0,8.601,0.001
-IXMRVHDVAYSNHI_on_P31644_WT,High,ChEMBL30,CHEMBL3681474,Cc1c(CNc2ccc(C(=O)NC(C)C)cn2)c(-c2cccc(F)c2)no1,IXMRVHDVAYSNHI,IXMRVHDVAYSNHI-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O2/c1-12(2)24-20(26)15-7-8-18(22-10-15)23-11-17-13(3)27-25-19(17)14-5-4-6-16(21)9-14/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,26)","""AuxInfo=1/1/N:14,15,1,21,20,22,8,7,25,16,4,13,2,19,9,23,3,6,18,10,24,17,5,12,26,11,27/E:(1,2)/rA:27CCCCNCCCCCONCCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-IXNNHLJSIRKAMO_on_P31644_WT,High,ChEMBL30,CHEMBL3681486,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(-c2ccccc2)no1,IXNNHLJSIRKAMO,IXNNHLJSIRKAMO-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-14-17(19(24-28-14)15-7-5-4-6-8-15)12-27-18-10-9-16(11-22-18)20(26)23-21(2,3)13-25/h4-11,25H,12-13H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,14,15,24,23,25,22,26,8,7,18,4,16,2,21,9,3,6,20,10,13,19,12,27,17,11,5,28/E:(2,3)(5,6)(7,8)/rA:28CCCCOCCCCCONCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-IXTOCUUTDNYNFO_on_P41594_WT,Medium,ChEMBL30,CHEMBL186075,O=Cc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,IXTOCUUTDNYNFO,IXTOCUUTDNYNFO-UHFFFAOYSA-N,InChI=1S/C19H13N5O/c25-13-15-6-1-2-9-17(15)14-7-5-8-16(12-14)24-22-19(21-23-24)18-10-3-4-11-20-18/h1-13H,"""AuxInfo=1/0/N:24,23,18,17,7,25,6,8,22,19,16,21,2,5,3,9,4,14,13,15,12,20,11,10,1/rA:25OCCCCCCCCNNNCCNCCCCNCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;s4;d22;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-IXTSWRCNBQFSPA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771689,O=C(c1cccc(F)c1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,IXTSWRCNBQFSPA,IXTSWRCNBQFSPA-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-7-3-5-13(11-15)18-23-19(27-24-18)17-9-1-2-10-25(17)20(26)14-6-4-8-16(22)12-14/h3-8,11-12,17H,1-2,9-10H2","""AuxInfo=1/0/N:13,12,21,5,20,4,22,6,14,11,25,9,19,3,23,7,15,18,16,2,24,8,17,26,10,1,27/rA:27OCCCCCCFCNCCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-IXVVWRODADLZDH_on_Q13255_WT,High,ChEMBL30,CHEMBL3330820,COc1ccc(-n2cnc3c(scc3-c3c(Cl)cccc3)c2=O)cc1,IXVVWRODADLZDH,IXVVWRODADLZDH-UHFFFAOYSA-N,"InChI=1S/C19H13ClN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3","""AuxInfo=1/0/N:1,20,19,21,18,5,24,4,25,13,8,6,3,15,14,16,10,11,22,17,9,7,23,2,12/E:(6,7)(8,9)/rA:25COCCCCNCNCCSCCCCClCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s16;d18;s19;s15d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-IXXZGBOSQDVMTC_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL595759;CHEMBL595759;46190878,Cn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2,IXXZGBOSQDVMTC,IXXZGBOSQDVMTC-UHFFFAOYSA-N,"InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,6,17,7,16,11,14,4,12,19,20,3,9,13,10,15,18,2,5,8/E:(6,7)(8,9)(10,11)(19,20)/rA:24CNCCNCCNCNCCClCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915;PubChemAID:453995,PMID:20005096,2010.0,PMID:20005096;PMID:20005096;PubChemAID:453995,2010,0,1;1;0,0,0,0;0;1,,=,  5.900;  6.900;  6.900,6.567,0.47100000000000003,0.33299999999999996,3.0,6.9,0.0
-IYARRMWQPNHMRI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110789,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C#N)c3)n2)cc(C)n1,IYARRMWQPNHMRI,IYARRMWQPNHMRI-UHFFFAOYSA-N,"InChI=1S/C22H21ClN4O/c1-13-8-17(9-14(2)25-13)21-20-6-7-28-15(3)12-27(20)22(26-21)16-4-5-19(23)18(10-16)11-24/h4-5,8-10,15H,6-7,12H2,1-3H3","""AuxInfo=1/0/N:1,27,11,16,17,7,8,3,25,23,21,12,2,26,10,15,4,20,18,6,5,14,19,22,28,24,13,9/E:(1,2)(8,9)(13,14)/rA:28CCCCCCCCOCCCNCCCCCClCCNCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;t21;s15d20;s5d14;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-IYCZDZCCKLYOCS_on_Q14643_WT,Medium,ChEMBL30,CHEMBL352326,CN(C)c1ccc(C(c2ccc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc2)c2ccc(N(C)C)cc2)cc1,IYCZDZCCKLYOCS,IYCZDZCCKLYOCS-UHFFFAOYSA-N,"InChI=1S/C33H46N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,26-32,37-39H,5,18-19H2,1-4H3,(H,34,40)(H,47,48)(H2,41,42,43)(H2,44,45,46)","""AuxInfo=1/1/N:1,3,50,51,17,10,44,11,43,6,54,46,53,5,55,47,52,16,18,9,7,45,12,4,48,8,25,27,41,24,29,35,13,15,2,49,26,28,42,14,32,33,34,38,39,40,21,22,19,30,36,23,31,37,20/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15,16,17)(21,22)(24,25)(35,36)(41,42,43)(44,45,46)(47,48)/rA:55CNCCCCCCCCCCCONCCCOPOOOCCOCOCOPOOOCOPOOOCOCCCCCCNCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;s20;s23;s24;s25;s25;s27;s27;s29;s30;d31;s31;s31;s29;s35;s36;d37;s37;s37;s24s35;s41;s12;s9d43;s8;d45;s46;d47;s48;s49;s49;s48;s45d52;s7;s4d54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  5.500;  6.770,6.135,0.635,0.635,2.0,6.135,0.635
-IYECCJJTNZIOAE_on_P41594_WT,High,ChEMBL30,CHEMBL3605278,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ccc(F)cc1)n2,IYECCJJTNZIOAE,IYECCJJTNZIOAE-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O3/c21-14-3-1-13(2-4-14)20(25)24-10-9-17-18(11-24)27-19(23-17)12-26-16-7-5-15(22)6-8-16/h1-8H,9-12H2","""AuxInfo=1/0/N:4,9,5,8,22,25,21,26,12,11,15,18,3,6,23,20,13,14,17,2,7,24,27,10,1,19,16/E:(1,2)(3,4)(5,6)(7,8)/rA:27OCCCCCFCCNCCCCCOCCOCCCCFCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;d22;s23;s23;s20d25;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.180;  6.180,6.18,0.0,0.0,2.0,6.18,0.0
-IYEJMUDDGFBLEF_on_P14867_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  6.780;  6.780,6.78,0.0,0.0,2.0,6.78,0.0
-IYEJMUDDGFBLEF_on_P18507_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683015;CHEMBL680293;CHEMBL685340;CHEMBL681090;CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.510;  6.780;  8.240;  7.480;  7.510;  6.780;  8.240;  7.480,7.502000000000001,0.516,0.195,8.0,7.495,0.365
-IYEJMUDDGFBLEF_on_P28472_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL681090;CHEMBL683015;CHEMBL685340;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985,2003;2003;2003;2003;2002;2002;2002;2002,0,0,0,1,0,,=,  7.480;  7.510;  6.780;  8.240;  7.480;  7.510;  8.240;  6.780,7.502999999999999,0.516,0.195,8.0,7.495,0.365
-IYEJMUDDGFBLEF_on_P31644_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.240;  8.240,8.24,0.0,0.0,2.0,8.24,0.0
-IYEJMUDDGFBLEF_on_P34903_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681090;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.480;  7.480,7.48,0.0,0.0,2.0,7.48,0.0
-IYEJMUDDGFBLEF_on_P47869_WT,Low,ChEMBL30,CHEMBL17574,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1,IYEJMUDDGFBLEF,IYEJMUDDGFBLEF-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)7-11-13(12(18)8-16)15(19-3)20-14(11)10-5-4-6-17-9-10/h4-6,9H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,19,17,11,7,15,14,12,5,4,13,3,8,16,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCCNCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683015;CHEMBL681405,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-IYGXFCQBFQBGQS_on_P14867_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-IYGXFCQBFQBGQS_on_P18507_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111449;CHEMBL1111448;CHEMBL1111451;CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.850;  7.700;  5.790;  5.500,6.21,0.87,0.503,4.0,5.82,0.175
-IYGXFCQBFQBGQS_on_P28472_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111451;CHEMBL1111449;CHEMBL1111450;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.790;  5.850;  5.500;  7.700,6.21,0.87,0.503,4.0,5.82,0.175
-IYGXFCQBFQBGQS_on_P31644_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-IYGXFCQBFQBGQS_on_P34903_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-IYGXFCQBFQBGQS_on_P47869_WT,Low,ChEMBL30,CHEMBL1079272,Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,IYGXFCQBFQBGQS,IYGXFCQBFQBGQS-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5/c1-8-13-6-20-14(17-9(2)18-20)11-5-10(15)3-4-12(11)19(13)7-16-8/h3-5,7H,6H2,1-2H3","""AuxInfo=1/0/N:8,1,17,18,14,5,10,7,2,15,13,12,6,19,16,9,20,3,11,4/rA:20CCNNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-IYGYMKDQCDOMRE_on_O00591_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL685366;CHEMBL681951,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  5.210;  4.820;  4.360,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_O14764_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P14867_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951;CHEMBL685366;CHEMBL681949,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  4.360;  4.820;  5.210,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P18505_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P18507_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P28472_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  4.360;  5.210;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P31644_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685366;CHEMBL681951;CHEMBL681949,PMID:1317920,1992.0,PMID:1317920;PMID:1331456;PMID:1331456,1992,1,0,0,0,0,,=,  4.820;  4.360;  5.210,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P34903_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL685366;CHEMBL681949,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  4.360;  4.820;  5.210,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P47869_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  4.360;  5.210;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P47870_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  4.360;  5.210;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P48169_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  4.360;  5.210;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_P78334_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685366;CHEMBL681949;CHEMBL681951,PMID:1317920,1992.0,PMID:1317920;PMID:1331456;PMID:1331456,1992,1,0,0,0,0,,=,  4.820;  5.210;  4.360,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_Q16445_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYGYMKDQCDOMRE_on_Q99928_WT,Low,ChEMBL30,CHEMBL417990,CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1,IYGYMKDQCDOMRE,IYGYMKDQCDOMRE-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,21,22,4,3,13,7,10,26,5,20,6,23,12,8,19,14,15,24,17,2,18,27,11,9,25,16/rA:27CNCCCCCCOCOCCCCOCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s8s11;s5d12;s2s6;s14;s15;s16;d17;s17;s15d19;s20;d21;s22;s19d23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  5.210;  4.360;  4.820,4.797,0.34700000000000003,0.24600000000000002,3.0,4.82,0.39
-IYICRILSRIBTNE_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797392,CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12,IYICRILSRIBTNE,IYICRILSRIBTNE-UHFFFAOYSA-N,"InChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25)","""AuxInfo=1/1/N:1,8,2,16,15,23,13,7,12,17,24,6,4,10,18,19,20,21,3,11,22,14,26,25,5,9/E:(16,17,18)/rA:26CCNCOCCCSCNCCNCCCCFFFNCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s18;s18;s18;s14d17;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-IYICRILSRIBTNE_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797392,CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12,IYICRILSRIBTNE,IYICRILSRIBTNE-UHFFFAOYSA-N,"InChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25)","""AuxInfo=1/1/N:1,8,2,16,15,23,13,7,12,17,24,6,4,10,18,19,20,21,3,11,22,14,26,25,5,9/E:(16,17,18)/rA:26CCNCOCCCSCNCCNCCCCFFFNCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s18;s18;s18;s14d17;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-IYIRCZBISYQERL_on_Q14416_WT,High,ChEMBL30,CHEMBL1669378,CCCn1ccc2c(c(Cl)cc(N3CCC(O)CC3)c2)c1=O,IYIRCZBISYQERL,IYIRCZBISYQERL-UHFFFAOYSA-N,"InChI=1S/C17H21ClN2O2/c1-2-6-20-7-3-12-10-13(11-15(18)16(12)17(20)22)19-8-4-14(21)5-9-19/h3,7,10-11,14,21H,2,4-6,8-9H2,1H3","""AuxInfo=1/0/N:1,2,6,15,18,3,5,14,19,20,11,7,12,16,9,8,21,10,13,4,17,22/E:(4,5)(8,9)/rA:22CCCNCCCCCClCCNCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s16;s13s18;s7d12;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-IYLUSOABWVNCON_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110709,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(C(F)(F)F)c3)n2)cc(C)n1,IYLUSOABWVNCON,IYLUSOABWVNCON-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O/c1-13-5-6-17(11-19(13)23(24,25)26)22-28-21(18-9-14(2)27-15(3)10-18)20-7-8-30-16(4)12-29(20)22/h5-6,9-11,16H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:19,1,29,11,17,16,7,8,3,27,25,12,18,2,28,10,15,4,20,6,5,14,21,22,23,24,30,26,13,9/E:(2,3)(9,10)(14,15)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCCCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s21;s15d20;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-IYNVOAAUJXLNOD_on_P41594_WT,High,ChEMBL30,CHEMBL3314805,O=C(Nc1ccnc(Oc2cccnc2)c1)c1cc(Cl)ccc1,IYNVOAAUJXLNOD,IYNVOAAUJXLNOD-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-13-4-1-3-12(9-13)17(22)21-14-6-8-20-16(10-14)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,5,13,6,18,16,15,17,19,4,10,8,2,20,14,7,3,1,9/rA:23OCNCCCNCOCCCCNCCCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-IYPWCWQNVRQIKS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL246935;11396858,O=C(Nc1ccc(Br)cc1CN1C(=O)c2c(cc(F)cc2)C1=O)c1ccccn1,IYPWCWQNVRQIKS,IYPWCWQNVRQIKS-UHFFFAOYSA-N,"InChI=1S/C21H13BrFN3O3/c22-13-4-7-17(25-19(27)18-3-1-2-8-24-18)12(9-13)11-26-20(28)15-6-5-14(23)10-16(15)21(26)29/h1-10H,11H2,(H,25,27)","""AuxInfo=1/1/N:26,27,25,6,20,21,5,28,9,17,11,10,7,18,15,16,4,24,2,13,22,8,19,29,3,12,1,14,23/rA:29OCNCCCCBrCCCNCOCCCCFCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s18;s15d20;s12s16;d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  6.030;  6.032,6.031000000000001,0.001,0.001,2.0,6.031000000000001,0.001
-IYVLGVHRRFSIIL_on_P14867_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-IYVLGVHRRFSIIL_on_P18507_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.790;  5.670;  5.330,5.597,0.195,0.138,3.0,5.67,0.12
-IYVLGVHRRFSIIL_on_P28472_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.330;  5.790;  5.670,5.597,0.195,0.138,3.0,5.67,0.12
-IYVLGVHRRFSIIL_on_P31644_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-IYVLGVHRRFSIIL_on_P34903_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-IYVLGVHRRFSIIL_on_Q16445_WT,Low,ChEMBL30,CHEMBL171302,[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1,IYVLGVHRRFSIIL,IYVLGVHRRFSIIL-UHFFFAOYSA-N,"InChI=1S/C15H10N8O/c16-22-20-9-5-6-12-11(7-9)15(18-8-14(24)19-12)10-3-1-2-4-13(10)21-23-17/h1-7H,8H2,(H,19,24)","""AuxInfo=1/1/N:21,20,22,19,5,6,24,11,4,14,23,7,15,9,13,1,18,12,8,3,16,2,17,10/CRV:22.5,23.5/rA:24N-N+NCCCCNCOCNCCCNN+N-CCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;w?12;s13;d14;s15;d16;d17;s15;d19;s20;s14d21;s7s13;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-IYXLKAKOLMXXJX_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11496550;CHEMBL180455,CC(=O)NC(=O)c1ccc(COc2cc3c(C(=O)C(C)(C4CCCC4)C3)c(Cl)c2Cl)cc1,IYXLKAKOLMXXJX,IYXLKAKOLMXXJX-UHFFFAOYSA-N,"InChI=1S/C25H25Cl2NO4/c1-14(29)28-24(31)16-9-7-15(8-10-16)13-32-19-11-17-12-25(2,18-5-3-4-6-18)23(30)20(17)22(27)21(19)26/h7-11,18H,3-6,12-13H2,1-2H3,(H,28,29,31)","""AuxInfo=1/1/N:1,20,23,24,22,25,9,31,8,32,14,26,11,2,10,7,15,21,13,16,29,27,17,5,19,30,28,4,3,18,6,12/E:(3,4)(5,6)(7,8)(9,10)/rA:32CCONCOCCCCCOCCCCCOCCCCCCCCCClCClCC/rB:s1;d2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;d17;s17;s19;s19;s21;s22;s23;s21s24;s15s19;s16;s27;s13d27;s29;s10;s7d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  6.355;  6.360,6.357,0.003,0.003,2.0,6.357,0.002
-IYYLIZWRYYVEPH_on_P14867_WT,Low,ChEMBL30,CHEMBL380945,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,IYYLIZWRYYVEPH,IYYLIZWRYYVEPH-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,2,15,3,8,13,14,19,9,17,20,21,22,23,1,10,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-IYYLIZWRYYVEPH_on_P18507_WT,Low,ChEMBL30,CHEMBL380945,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,IYYLIZWRYYVEPH,IYYLIZWRYYVEPH-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,2,15,3,8,13,14,19,9,17,20,21,22,23,1,10,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.000;  8.850,8.925,0.075,0.075,2.0,8.925,0.075
-IYYLIZWRYYVEPH_on_P28472_WT,Low,ChEMBL30,CHEMBL380945,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,IYYLIZWRYYVEPH,IYYLIZWRYYVEPH-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,2,15,3,8,13,14,19,9,17,20,21,22,23,1,10,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.000;  8.850,8.925,0.075,0.075,2.0,8.925,0.075
-IYYLIZWRYYVEPH_on_P34903_WT,Low,ChEMBL30,CHEMBL380945,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,IYYLIZWRYYVEPH,IYYLIZWRYYVEPH-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,2,15,3,8,13,14,19,9,17,20,21,22,23,1,10,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-IZARPTGZMISRHJ_on_P41594_WT,High,ChEMBL30,CHEMBL2346726,Cc1nc(NC(=O)c2c(C)n(-c3ccc(Cl)c(Cl)c3)c(C)n2)ccc1,IZARPTGZMISRHJ,IZARPTGZMISRHJ-UHFFFAOYSA-N,"InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-14(19)15(20)9-13/h4-9H,1-3H3,(H,21,23,25)","""AuxInfo=1/1/N:1,10,21,24,25,23,13,14,19,2,9,20,12,15,17,4,8,6,16,18,3,22,5,11,7/rA:25CCNCNCOCCCNCCCCClCClCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s15;s17;s12d17;s11;s20;s8d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-IZDHHVCYXGWTJF_on_Q14416_WT,High,ChEMBL30,CHEMBL3337518,N#Cc1c(N2CCC(c3cc(C(F)(F)F)ccc3)CC2)ccn(CC2CC2)c1=O,IZDHHVCYXGWTJF,IZDHHVCYXGWTJF-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O/c23-22(24,25)18-3-1-2-17(12-18)16-6-9-27(10-7-16)20-8-11-28(14-15-4-5-15)21(29)19(20)13-26/h1-3,8,11-12,15-16H,4-7,9-10,14H2","""AuxInfo=1/0/N:17,18,16,26,27,7,19,21,6,20,22,10,2,24,25,8,9,11,3,4,28,12,13,14,15,1,5,23,29/E:(4,5)(6,7)(9,10)(23,24,25)/rA:29NCCCNCCCCCCCFFFCCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;s12;s12;d11;s16;s9d17;s8;s5s19;s4;d21;s22;s23;s24;s25;s25s26;s3s23;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-IZDJAZZKINJIGM_on_P41594_WT,High,ChEMBL30,CHEMBL3970701;CHEMBL3949884;CHEMBL3970701,O=C1NC(c2cc(C#CC3CC(O)C3)cnc2)C(c2cccc(F)c2)O1,IZDJAZZKINJIGM,IZDJAZZKINJIGM-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-6-13(10-22-11-15)5-4-12-7-17(24)8-12/h1-3,6,9-12,17-19,24H,7-8H2,(H,23,25)","""AuxInfo=1/1/N:21,20,22,9,8,6,11,14,25,15,17,10,7,19,5,23,12,4,18,2,24,16,3,13,1,26/E:(7,8)/rA:26OCNCCCCCCCCCOCCNCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s10s12;d7;s15;s5d16;s4;s18;d19;s20;d21;s22;s23;s19d23;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0;0,0,0;1;1,0,,=,  6.600;  6.050;  6.150,6.267,0.239,0.16899999999999998,3.0,6.15,0.1
-IZIKZWGTEIYWKS_on_P31644_WT,High,ChEMBL30,CHEMBL3676540,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2cccc(F)c2)no1,IZIKZWGTEIYWKS,IZIKZWGTEIYWKS-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O3/c1-12(2)23-20(25)15-7-8-18(22-10-15)26-11-17-13(3)27-24-19(17)14-5-4-6-16(21)9-14/h4-10,12H,11H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,21,20,22,8,7,25,16,4,13,2,19,9,23,3,6,18,10,24,17,12,26,11,5,27/E:(1,2)/rA:27CCCCOCCCCCONCCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-IZJHFABMXGQIGK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3935209,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(CF)n1,IZJHFABMXGQIGK,IZJHFABMXGQIGK-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-15(3-4-19(13)31-22(24,25)26)21-28-20(18-5-7-30-8-6-29(18)21)16-10-14(2)27-17(11-16)12-23/h3-4,9-11H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:24,1,15,16,7,11,8,10,25,3,27,29,23,2,14,4,28,6,17,5,13,19,30,20,21,22,31,26,12,9,18/E:(24,25,26)/rA:31CCCCCCCCOCCNCCCCCOCFFFCCCNCCCFN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;s14d23;s5d13;d4;s27;s28;s29;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-IZKCFJGBVRGDAT_on_Q14416_WT,High,ChEMBL30,CHEMBL3885265,Fc1ccc(C2(COc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,IZKCFJGBVRGDAT,IZKCFJGBVRGDAT-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c22-15-5-3-14(4-6-15)20(8-9-20)12-29-16-7-10-28-17(11-13-1-2-13)26-27-19(28)18(16)21(23,24)25/h3-7,10,13H,1-2,8-9,11-12H2","""AuxInfo=1/0/N:21,22,4,28,3,29,25,26,27,24,19,7,20,5,2,9,18,10,15,6,11,1,12,13,14,17,16,23,8/E:(1,2)(3,4)(5,6)(8,9)(23,24,25)/rA:29FCCCCCCOCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s9d24;s6;s6s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-IZRNPSABLKZTLN_on_Q13224_WT,High,ChEMBL30,CHEMBL3983077,CCc1c(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn[nH]1,IZRNPSABLKZTLN,IZRNPSABLKZTLN-UHFFFAOYSA-N,"InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,2,10,11,19,22,20,7,5,9,8,4,12,3,14,16,13,17,18,23,21,24,6,15/E:(18,19)/rA:24CCCCCNCCCCCCClCOCFFCCNCNN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s12;s14;s15;s16;s16;s9d14;s8;s6d20;s4;d22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  5.430,5.43,0.0,0.0,1.0,5.43,0.0
-IZSJFHQSZKBHEK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930346,Cc1cscc1-c1cc(C(N)=O)nc2c1cccc2,IZSJFHQSZKBHEK,IZSJFHQSZKBHEK-UHFFFAOYSA-N,"InChI=1S/C15H12N2OS/c1-9-7-19-8-12(9)11-6-14(15(16)18)17-13-5-3-2-4-10(11)13/h2-8H,1H3,(H2,16,18)","""AuxInfo=1/1/N:1,17,18,16,19,8,3,5,2,15,7,6,14,9,10,11,13,12,4/rA:19CCCSCCCCCCNONCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-IZWNFNCHPOPTND_on_P41594_WT,High,ChEMBL30,CHEMBL3747118,O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cc1,IZWNFNCHPOPTND,IZWNFNCHPOPTND-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-13-4-6-16(7-5-13)23-8-9-24-18(19(23)25)11-15(22-24)12-26-17-3-1-2-14(21)10-17/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:10,11,9,22,25,21,26,18,17,14,4,6,23,12,5,20,8,3,2,24,13,15,19,16,1,7/E:(4,5)(6,7)/rA:26OCCCCCOCCCCCFCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s8d12;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.000;  7.000,7.0,0.0,0.0,2.0,7.0,0.0
-IZXQPAIBAFLWPA_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118817;CHEMBL1951890,Cc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,IZXQPAIBAFLWPA,IZXQPAIBAFLWPA-UHFFFAOYSA-N,"InChI=1S/C19H16N4OS/c1-11-2-6-13(7-3-11)23-9-8-14-15-17(22-12-4-5-12)20-10-21-18(15)25-16(14)19(23)24/h2-3,6-10,12H,4-5H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,25,17,18,4,24,8,7,20,2,16,5,9,13,10,14,12,22,19,21,15,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCCCCSCCCNCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s16;s16s17;d14;s19;s12d20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.921;  7.920,7.921,0.001,0.001,2.0,7.921,0.001
-JACATKNSBVVHPN_on_Q14416_WT,High,ChEMBL30,CHEMBL2029806,Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CC4CCC4)cc3)cc2)c1,JACATKNSBVVHPN,JACATKNSBVVHPN-UHFFFAOYSA-N,"InChI=1S/C23H21N3O2/c1-16-13-20(9-11-25-16)28-19-7-5-18(6-8-19)21-10-12-26(15-17-3-2-4-17)23(27)22(21)14-24/h5-13,17H,2-4,15H2,1H3","""AuxInfo=1/0/N:1,22,21,23,10,26,9,27,5,25,4,24,28,14,19,2,20,11,8,6,12,13,16,15,3,18,17,7/E:(3,4)(5,6)(7,8)/rA:28CCNCCCOCCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s21;s20s22;s18;s12d24;s11;s8d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-JAEDFBQWCPEFSI_on_P41594_WT,High,ChEMBL30,CHEMBL272376,Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2ccccc2F)n1,JAEDFBQWCPEFSI,JAEDFBQWCPEFSI-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O/c1-16-14-27-15-18(22(28)26-11-9-25(2)10-12-26)13-21(27)20(24-16)8-7-17-5-3-4-6-19(17)23/h3-6,13-15H,9-12H2,1-2H3","""AuxInfo=1/0/N:1,13,23,24,22,25,20,19,11,14,10,15,16,3,5,2,21,6,26,18,17,7,27,28,12,9,4,8/E:(9,10)(11,12)/rA:28CCCNCCCONCCNCCCCCCCCCCCCCCFN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s14;s6;s4d16;s17;s18;t19;s20;d21;s22;d23;s24;s21d25;s26;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-JAFCNJIYJPKUGS_on_P41594_WT,High,ChEMBL30,CHEMBL2151045,O=C(Cc1cc(F)ccc1)N1CCC1c1nc(-c2cc(F)ccc2)no1,JAFCNJIYJPKUGS,JAFCNJIYJPKUGS-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-5-1-3-12(9-14)10-17(25)24-8-7-16(24)19-22-18(23-26-19)13-4-2-6-15(21)11-13/h1-6,9,11,16H,7-8,10H2","""AuxInfo=1/0/N:9,23,10,24,8,22,13,12,5,3,19,4,18,6,20,14,2,17,15,7,21,16,25,11,1,26/rA:26OCCCCCFCCCNCCCCNCCCCFCCCNO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;s11;s12;s11s13;s14;d15;s16;s17;d18;s19;s20;d20;s22;s18d23;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-JAFQEKAQGSQGTM_on_O00591_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_O14764_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P14867_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P18505_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P18507_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P28472_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P31644_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P34903_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P47869_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P47870_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P48169_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_P78334_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_Q16445_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAFQEKAQGSQGTM_on_Q99928_WT,Low,ChEMBL30,CHEMBL146284,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,JAFQEKAQGSQGTM,JAFQEKAQGSQGTM-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-25-16-6-10(2-5-15(16)22)8-21-18(24)17(23)13-9-20-14-4-3-11(19)7-12(13)14/h2-7,9,20,22H,8H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,7,20,19,6,25,23,9,16,8,21,24,15,18,4,3,13,11,22,17,10,5,14,12,2/rA:25COCCOCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JAHVHQRYTRNSNM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403588;71713325,Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1,JAHVHQRYTRNSNM,JAHVHQRYTRNSNM-UHFFFAOYSA-N,"InChI=1S/C22H18N2OS/c1-16-6-5-9-18(14-16)22(25)24-13-12-19-20(15-24)26-21(23-19)11-10-17-7-3-2-4-8-17/h2-9,14H,12-13,15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,25,26,18,22,24,16,15,9,8,3,12,2,17,4,10,11,14,5,23,7,6,13/E:(3,4)(7,8)/rA:26CCCCCONCCCCCSCCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.000;  7.004,7.002000000000001,0.002,0.002,2.0,7.002000000000001,0.002
-JAIOFGJWUSFJQH_on_P41594_WT,High,ChEMBL30,CHEMBL3702389,C#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1,JAIOFGJWUSFJQH,JAIOFGJWUSFJQH-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c1-2-13-5-3-6-15-14(13)8-9-21-17(15)11-16(20-12-19(21)22)18-7-4-10-23-18/h1,3-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:1,2,22,15,23,21,14,5,6,16,18,10,3,4,20,12,19,13,8,11,7,9,17/rA:23CCCCCCNCOCNCCCCCSCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s14;d15;s13s16;s12;s7w?18;s4s19;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-JAIOFGJWUSFJQH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702389,C#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1,JAIOFGJWUSFJQH,JAIOFGJWUSFJQH-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c1-2-13-5-3-6-15-14(13)8-9-21-17(15)11-16(20-12-19(21)22)18-7-4-10-23-18/h1,3-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:1,2,22,15,23,21,14,5,6,16,18,10,3,4,20,12,19,13,8,11,7,9,17/rA:23CCCCCCNCOCNCCCCCSCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s14;d15;s13s16;s12;s7w?18;s4s19;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-JAMKKFUPJWTOME_on_O00591_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_O14764_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P14867_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P18505_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P18507_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P28472_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P31644_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P34903_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P47869_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P47870_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P48169_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_P78334_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMKKFUPJWTOME_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322878,Nc1cc(-c2ccccc2)c(C(=O)O)cn1,JAMKKFUPJWTOME,JAMKKFUPJWTOME-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c13-11-6-9(8-4-2-1-3-5-8)10(7-14-11)12(15)16/h1-7H,(H2,13,14)(H,15,16)","""AuxInfo=1/1/N:8,7,9,6,10,3,15,5,4,11,2,12,1,16,13,14/E:(2,3)(4,5)(15,16)/rA:16NCCCCCCCCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;d12;s12;s11;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMWASXNGUMPKR_on_P41594_WT,Low,ChEMBL30,CHEMBL225439,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C(C)(C)C)cc2)c1=O,JAMWASXNGUMPKR,JAMWASXNGUMPKR-UHFFFAOYSA-N,"InChI=1S/C21H22N4OS/c1-21(2,3)13-6-8-14(9-7-13)25-12-23-17-16-15(24(4)5)10-11-22-19(16)27-18(17)20(25)26/h6-12H,1-5H3","""AuxInfo=1/0/N:21,22,23,1,3,18,24,17,25,9,8,14,19,16,4,5,12,11,6,26,20,7,13,2,15,27,10/E:(1,2,3)(4,5)(6,7)(8,9)/rA:27CNCCCCNCCSCCNCNCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s11s15;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JAMWASXNGUMPKR_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL225439;44421618,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C(C)(C)C)cc2)c1=O,JAMWASXNGUMPKR,JAMWASXNGUMPKR-UHFFFAOYSA-N,"InChI=1S/C21H22N4OS/c1-21(2,3)13-6-8-14(9-7-13)25-12-23-17-16-15(24(4)5)10-11-22-19(16)27-18(17)20(25)26/h6-12H,1-5H3","""AuxInfo=1/0/N:21,22,23,1,3,18,24,17,25,9,8,14,19,16,4,5,12,11,6,26,20,7,13,2,15,27,10/E:(1,2,3)(4,5)(6,7)(8,9)/rA:27CNCCCCNCCSCCNCNCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s11s15;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  5.070;  5.071,5.071000000000001,0.0,0.0,2.0,5.071000000000001,0.0
-JANXKKALWNYMDP_on_P14867_WT,Low,ChEMBL30,CHEMBL376035,Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1,JANXKKALWNYMDP,JANXKKALWNYMDP-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2S/c21-18-16(17(22-20-18)13-6-8-19-9-7-13)14-10-15(23-11-14)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2,(H,20,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,23,14,17,6,13,16,12,5,2,9,3,1,4,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCNOCCCCNCCCCCSCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.050;  8.040,8.045,0.005,0.005,2.0,8.045,0.005
-JANXKKALWNYMDP_on_P18507_WT,Low,ChEMBL30,CHEMBL376035,Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1,JANXKKALWNYMDP,JANXKKALWNYMDP-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2S/c21-18-16(17(22-20-18)13-6-8-19-9-7-13)14-10-15(23-11-14)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2,(H,20,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,23,14,17,6,13,16,12,5,2,9,3,1,4,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCNOCCCCNCCCCCSCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.050;  8.040,8.045,0.005,0.005,2.0,8.045,0.005
-JANXKKALWNYMDP_on_P28472_WT,Low,ChEMBL30,CHEMBL376035,Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1,JANXKKALWNYMDP,JANXKKALWNYMDP-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2S/c21-18-16(17(22-20-18)13-6-8-19-9-7-13)14-10-15(23-11-14)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2,(H,20,21)","""AuxInfo=1/1/N:20,19,21,18,22,7,11,8,10,23,14,17,6,13,16,12,5,2,9,3,1,4,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCNOCCCCNCCCCCSCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.040;  8.050,8.045,0.005,0.005,2.0,8.045,0.005
-JAOIJSLHKQEWQB_on_P14867_WT,Low,ChEMBL30,CHEMBL45110,Cc1csc(-c2cc(-c3c(C)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,JAOIJSLHKQEWQB,JAOIJSLHKQEWQB-UHFFFAOYSA-N,"InChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3","""AuxInfo=1/0/N:11,1,13,14,24,12,23,15,19,20,25,7,22,3,10,2,18,9,8,6,17,16,5,27,21,29,26,28,4/rA:29CCCSCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-JAOIJSLHKQEWQB_on_P18507_WT,Low,ChEMBL30,CHEMBL45110,Cc1csc(-c2cc(-c3c(C)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,JAOIJSLHKQEWQB,JAOIJSLHKQEWQB-UHFFFAOYSA-N,"InChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3","""AuxInfo=1/0/N:11,1,13,14,24,12,23,15,19,20,25,7,22,3,10,2,18,9,8,6,17,16,5,27,21,29,26,28,4/rA:29CCCSCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.820;  8.920,8.87,0.05,0.05,2.0,8.87,0.05
-JAOIJSLHKQEWQB_on_P28472_WT,Low,ChEMBL30,CHEMBL45110,Cc1csc(-c2cc(-c3c(C)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,JAOIJSLHKQEWQB,JAOIJSLHKQEWQB-UHFFFAOYSA-N,"InChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3","""AuxInfo=1/0/N:11,1,13,14,24,12,23,15,19,20,25,7,22,3,10,2,18,9,8,6,17,16,5,27,21,29,26,28,4/rA:29CCCSCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.920;  8.820,8.87,0.05,0.05,2.0,8.87,0.05
-JAOIJSLHKQEWQB_on_P34903_WT,Low,ChEMBL30,CHEMBL45110,Cc1csc(-c2cc(-c3c(C)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,JAOIJSLHKQEWQB,JAOIJSLHKQEWQB-UHFFFAOYSA-N,"InChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3","""AuxInfo=1/0/N:11,1,13,14,24,12,23,15,19,20,25,7,22,3,10,2,18,9,8,6,17,16,5,27,21,29,26,28,4/rA:29CCCSCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-JAQUASYNZVUNQP_on_O15399_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030;CHEMBL749668;CHEMBL749670,PMID:1433216,1992.0,PMID:9464369;PMID:1433216;PMID:1433216,1998;1992;1992,0;1;1,0,0,1;0;0,0,,=,  6.660;  5.570;  5.600,5.943,0.507,0.358,3.0,5.6,0.03
-JAQUASYNZVUNQP_on_O60391_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030;CHEMBL749668;CHEMBL749670,PMID:1433216,1992.0,PMID:9464369;PMID:1433216;PMID:1433216,1998;1992;1992,0;1;1,0,0,1;0;0,0,,=,  6.660;  5.570;  5.600,5.943,0.507,0.358,3.0,5.6,0.03
-JAQUASYNZVUNQP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030;CHEMBL749670;CHEMBL749668,PMID:1433216,1992.0,PMID:9464369;PMID:1433216;PMID:1433216,1998;1992;1992,0;1;1,0,0,1;0;0,0,,=,  6.660;  5.600;  5.570,5.943,0.507,0.358,3.0,5.6,0.03
-JAQUASYNZVUNQP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL592;CHEMBL592;CHEMBL1254766;CHEMBL1254766,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3242673;CHEMBL749670;CHEMBL749668;CHEMBL1015706;CHEMBL761030,PMID:1433216,1992.0,PMID:24630693;PMID:1433216;PMID:1433216;PMID:18540667;PMID:9464369,2014;1992;1992;2008;1998,1;1;1;1;0,0,0,0;0;0;0;1,0,,=,  5.890;  5.600;  5.570;  6.610;  6.660,6.066,0.478,0.239,5.0,5.89,0.32
-JAQUASYNZVUNQP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3242673;CHEMBL761030;CHEMBL749670;CHEMBL749668,PMID:1433216,1992.0,PMID:24630693;PMID:9464369;PMID:1433216;PMID:1433216,2014;1998;1992;1992,1;0;1;1,0,0,0;1;0;0,0,,=,  5.890;  6.660;  5.600;  5.570,5.93,0.44,0.254,4.0,5.745,0.16
-JAQUASYNZVUNQP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1015706;CHEMBL761030;CHEMBL749668;CHEMBL749670,PMID:1433216,1992.0,PMID:18540667;PMID:9464369;PMID:1433216;PMID:1433216,2008;1998;1992;1992,1;0;1;1,0,0,0;1;0;0,0,,=,  6.610;  6.660;  5.570;  5.600,6.11,0.525,0.303,4.0,6.105,0.52
-JAQUASYNZVUNQP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1254766;CHEMBL592;CHEMBL592,CN1CCC23CCCCC2C1Cc1c3cc(O)cc1,JAQUASYNZVUNQP,JAQUASYNZVUNQP-UHFFFAOYSA-N,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,2,17/rA:19CNCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030;CHEMBL749670;CHEMBL749668,PMID:1433216,1992.0,PMID:9464369;PMID:1433216;PMID:1433216,1998;1992;1992,0;1;1,0,0,1;0;0,0,,=,  6.660;  5.600;  5.570,5.943,0.507,0.358,3.0,5.6,0.03
-JARVFDGWRKYKRC_on_P41594_WT,High,ChEMBL30,CHEMBL4241844,CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1,JARVFDGWRKYKRC,JARVFDGWRKYKRC-UHFFFAOYSA-N,"InChI=1S/C53H71N9O4S/c1-4-29-61(48-24-25-50-44(35-48)15-14-16-51(50)63)33-27-42-17-20-45(21-18-42)57-52(64)26-23-46-38-62(59-58-46)32-13-8-6-5-7-11-30-60(3)31-12-9-10-28-55-53(65)39-66-49-34-43(36-54-37-49)19-22-47-40-67-41(2)56-47/h14-18,20-21,34,36-38,40,48,63H,4-13,23-33,35,39H2,1-3H3,(H,55,65)(H,57,64)","""AuxInfo=1/1/N:1,48,28,2,23,22,24,21,31,32,25,30,20,63,62,64,8,56,42,9,55,43,15,58,59,14,6,33,3,26,29,19,5,40,67,50,52,17,37,45,47,7,41,61,10,16,44,57,39,60,65,12,35,51,34,49,11,54,53,27,4,18,66,13,36,38,46/E:(17,18)(20,21)/rA:67CCCNCCCCCCNCOCCCCNCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCNCNNCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s12;s14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s27;s29;s30;s31;s32;s33;s34;d35;s35;s37;s38;d39;s40;s41;t42;s43;d44;s45;s46;s47;s44d47;d41;s50;s39d51;s18;s16d53;s10;s7d55;s4;s57;s58;s59;d60;s61;d62;s63;s60d64;s65;s57s61;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723;CHEMBL4236720;CHEMBL4236719,PMID:30180563,2018.0,PMID:30180563,2018,1;0;0,0,0,0;1;1,0,,=,  6.770;  5.960;  5.640,6.122999999999999,0.47600000000000003,0.336,3.0,5.96,0.32
-JATKRVVJPZRGIH_on_P41594_WT,High,ChEMBL30,CHEMBL1289348,O=C(COCc1ccncc1)N1CCN(c2cc(Cl)ccn2)CC1,JATKRVVJPZRGIH,JATKRVVJPZRGIH-UHFFFAOYSA-N,"InChI=1S/C17H19ClN4O2/c18-15-3-6-20-16(11-15)21-7-9-22(10-8-21)17(23)13-24-12-14-1-4-19-5-2-14/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:7,11,20,8,10,21,14,23,13,24,17,5,3,6,18,16,2,19,9,22,15,12,1,4/E:(1,2)(4,5)(7,8)(9,10)/rA:24OCCOCCCCNCCNCCNCCCClCCNCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-JAUUJPDJDJMXAU_on_P41594_WT,Medium,ChEMBL30,CHEMBL186987,Oc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,JAUUJPDJDJMXAU,JAUUJPDJDJMXAU-UHFFFAOYSA-N,"InChI=1S/C18H12FN5O/c19-13-9-12(15-5-1-2-7-17(15)25)10-14(11-13)24-22-18(21-23-24)16-6-3-4-8-20-16/h1-11,25H","""AuxInfo=1/0/N:23,24,18,17,22,19,25,16,5,21,8,4,6,9,3,14,2,13,7,15,12,20,11,10,1/rA:25OCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;d6;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s4d9;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-JAWWZDXMIDLZQD_on_Q14833_WT,High,ExCAPE-DB,56587891,COc1cc(NC(=O)c2ccccc2F)ccc1Cl,JAWWZDXMIDLZQD,JAWWZDXMIDLZQD-UHFFFAOYSA-N,"InChI=1S/C14H11ClFNO2/c1-19-13-8-9(6-7-11(13)15)17-14(18)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,10,13,16,17,4,5,9,18,14,3,7,19,15,6,8,2/rA:19COCCCNCOCCCCCCFCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBBFRNSUQWIIQO_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647534,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2F)c1,JBBFRNSUQWIIQO,JBBFRNSUQWIIQO-UHFFFAOYSA-N,"InChI=1S/C20H16F2N4O2S/c1-3-26-11-23-19-16(10-24-25-20(19)26)12-4-7-17(21)15(8-12)14-6-5-13(9-18(14)22)29(2,27)28/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,23,2,13,20,19,14,29,26,10,4,12,21,18,17,11,15,27,6,7,16,28,5,9,8,3,24,25,22/E:(27,28)/CRV:29.6/rA:29CCNCNCCNNCCCCCCFCCCCCSCOOCCFC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;s27;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-JBDFLODGAIHOBF_on_P41594_WT,High,ChEMBL30,CHEMBL3980422,c1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c(-c3ccccc3)c2)cc1,JBDFLODGAIHOBF,JBDFLODGAIHOBF-UHFFFAOYSA-N,"InChI=1S/C24H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)23(26-27-24)19-14-8-3-9-15-19/h1-16H,(H,25,26,27)","""AuxInfo=1/1/N:22,1,14,21,23,2,27,13,15,20,24,3,26,12,16,25,19,4,11,18,5,17,10,7,6,9,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27CCCCCNCNNCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s7d10;s17;s18;d19;s20;d21;s22;s19d23;s5d18;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-JBDNMFRYSAWNNE_on_P41594_WT,High,ChEMBL30,CHEMBL2403701,O=C(CC1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,JBDNMFRYSAWNNE,JBDNMFRYSAWNNE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c24-21(14-17-9-12-25-13-10-17)23-11-8-18-19(15-23)26-20(22-18)7-6-16-4-2-1-3-5-16/h1-5,17H,8-15H2","""AuxInfo=1/0/N:23,22,24,21,25,19,18,12,5,9,11,6,8,3,15,20,4,13,14,17,2,26,10,1,7,16/E:(2,3)(4,5)(9,10)(12,13)/rA:26OCCCCCOCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JBDRNSFDKSBSFE_on_O00591_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_O14764_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P14867_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P18505_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P18507_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P28472_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P31644_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P34903_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P47869_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P47870_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P48169_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_P78334_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_Q16445_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBDRNSFDKSBSFE_on_Q99928_WT,Low,ChEMBL30,CHEMBL93568,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1,JBDRNSFDKSBSFE,JBDRNSFDKSBSFE-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-JBJOHLQFCPGVFT_on_P41594_WT,Medium,ChEMBL30,CHEMBL1688366,O=C(N1CCN(c2ncccc2)CC1)C12CC3CC(CC(C3)C1)C2,JBJOHLQFCPGVFT,JBJOHLQFCPGVFT-UHFFFAOYSA-N,"InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2","""AuxInfo=1/0/N:11,10,12,9,5,13,4,14,18,20,22,24,16,23,19,17,21,7,2,15,8,6,3,1/E:(5,6)(7,8)(9,10,11)(12,13,14)(15,16,17)/rA:24OCNCCNCNCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s3s13;s2;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-JBKGVKFDQFBQHV_on_Q13255_WT,High,ChEMBL30,CHEMBL3785387,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)nccc1,JBKGVKFDQFBQHV,JBKGVKFDQFBQHV-UHFFFAOYSA-N,"InChI=1S/C21H15Cl2N3O2/c1-12-4-3-9-24-19(12)20(27)25-13-7-8-18(17(23)10-13)26-11-15-14(21(26)28)5-2-6-16(15)22/h2-10H,11H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,17,27,28,16,18,24,23,26,8,13,2,7,15,14,19,9,11,3,4,21,20,10,25,6,12,5,22/rA:28CCCCONCCCClCNCCCCCCCClCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.870;  5.840,5.855,0.015,0.015,2.0,5.855,0.015
-JBMRRJRVHNVYRV_on_P41594_WT,Low,ChEMBL30,CHEMBL3985312,O=C(c1ccnnc1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,JBMRRJRVHNVYRV,JBMRRJRVHNVYRV-UHFFFAOYSA-N,"InChI=1S/C18H16FN5O2/c19-14-2-1-3-17(8-14)26-12-15-9-16-11-23(6-7-24(16)22-15)18(25)13-4-5-20-21-10-13/h1-5,8-10H,6-7,11-12H2","""AuxInfo=1/0/N:22,21,23,4,5,10,11,18,24,8,26,15,3,19,14,25,17,2,20,6,7,13,9,12,1,16/rA:26OCCCCNNCNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s14;s12d24;s9s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBOFKXPHIMGJBJ_on_P41594_WT,High,ChEMBL30,CHEMBL3655656,CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1,JBOFKXPHIMGJBJ,JBOFKXPHIMGJBJ-UHFFFAOYSA-N,"InChI=1S/C18H16ClN5O/c1-2-24(17-10-21-12-22-11-17)16-7-15(8-20-9-16)23-18(25)13-4-3-5-14(19)6-13/h3-12H,2H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,20,19,21,24,25,13,11,5,9,7,18,22,14,10,4,16,23,12,6,8,15,3,17/E:(10,11)(21,22)/rA:25CCNCCNCNCCCNCCNCOCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;d10;s11;d12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-JBQBAJBKVPMONK_on_Q13255_WT,High,ChEMBL30,CHEMBL3634449,COc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1,JBQBAJBKVPMONK,JBQBAJBKVPMONK-UHFFFAOYSA-N,"InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:10,1,23,24,22,25,15,14,11,12,28,9,16,21,20,4,3,8,6,26,18,5,17,7,27,19,2,13/E:(3,4)(5,6)(14,15)(20,21)(25,26)/rA:28COCCNCOCCCCCOCCCNCOCCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;s4;d14;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17s21;d26;s3d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.480;  6.480,6.48,0.0,0.0,2.0,6.48,0.0
-JBQBAJBKVPMONK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634449,COc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1,JBQBAJBKVPMONK,JBQBAJBKVPMONK-UHFFFAOYSA-N,"InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:10,1,23,24,22,25,15,14,11,12,28,9,16,21,20,4,3,8,6,26,18,5,17,7,27,19,2,13/E:(3,4)(5,6)(14,15)(20,21)(25,26)/rA:28COCCNCOCCCCCOCCCNCOCCCCCCCOC/rB:s1;s2;d3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;s4;d14;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17s21;d26;s3d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P14867_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P18505_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P28472_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P31644_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P34903_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P47869_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P47870_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_P48169_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBSNALXXNTWUEC_on_Q16445_WT,Low,ChEMBL30,CHEMBL2181776,Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2,JBSNALXXNTWUEC,JBSNALXXNTWUEC-UHFFFAOYSA-N,"InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)","""AuxInfo=1/1/N:1,13,14,6,7,39,12,15,5,29,36,31,41,28,37,42,32,38,40,8,18,30,11,19,27,16,4,17,33,10,3,20,24,23,9,26,22,2,34,35,21,25/E:(2,3)(7,8)(10,11)(14,15)(18,19)(39,40)/rA:42CNCCCCCCNCCCCCCCCCCCONCCONCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;d3;s10;s11;s12;s13;s11s14;s10;s2d16;s17;d18;s19;d20;s20;s22;s23;d24;s24;s26;d27;s28;d29;s30;w?31;s32;d33;s33;s30;s27d36;s23;s38;s23s39;s19;s16d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412834,PMID:25599836,2015.0,PMID:25599836,2015,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JBTLCAMUYYCXTA_on_O00591_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_O14764_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P14867_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P18505_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P18507_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P28472_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P31644_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P34903_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P47869_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P47870_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P48169_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_P78334_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_Q16445_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBTLCAMUYYCXTA_on_Q99928_WT,Low,ChEMBL30,CHEMBL89407,CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,JBTLCAMUYYCXTA,JBTLCAMUYYCXTA-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-5-22-18(21)8-6-7-15-9-11-16(12-10-15)19-23-13-17(14-24-19)20(2,3)4/h9-12,17,19H,5,8,13-14H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,2,7,8,6,10,24,11,23,15,21,9,12,16,4,13,17,5,3,14,22/E:(2,3,4)(9,10)(11,12)(13,14)(23,24)/rA:24CCOCOCCCCCCCCSCCCCCCCSCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-JBUDGQFEYJAIBH_on_P41594_WT,High,ChEMBL30,CHEMBL2440660,Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1,JBUDGQFEYJAIBH,JBUDGQFEYJAIBH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,10,22,13,17,21,3,19,2,9,11,14,16,7,5,12,18,20,23,6,8,15,4/E:(5,6)(17,18)/rA:23CCCSCNCOCCCClCCOCCNCNCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;d11;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d14;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-JBZHLHMYKHJXLT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3945496,O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(Cl)c2)nc1)c1ccccn1,JBZHLHMYKHJXLT,JBZHLHMYKHJXLT-UHFFFAOYSA-N,"InChI=1S/C15H10ClFN4O3S/c16-12-7-11(4-5-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,11,12,24,17,19,5,4,10,15,13,20,2,16,14,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCFCClCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-JCAVKIVDIGTBDW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104785,CCS(=O)(=O)N(Cc1cnccc1)c1cc(OC(F)(F)F)ccc1,JCAVKIVDIGTBDW,JCAVKIVDIGTBDW-UHFFFAOYSA-N,"InChI=1S/C15H15F3N2O3S/c1-2-24(21,22)20(11-12-5-4-8-19-10-12)13-6-3-7-14(9-13)23-15(16,17)18/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,23,12,13,24,22,11,15,9,7,8,14,16,18,19,20,21,10,6,4,5,17,3/E:(16,17,18)(21,22)/CRV:24.6/rA:24CCSOONCCCNCCCCCCOCFFFCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s18;s18;s18;d16;s22;s14d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-JCAXAUNEKJYCFA_on_Q14416_WT,High,ChEMBL30,CHEMBL2206446,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)c(F)c(F)cc1,JCAXAUNEKJYCFA,JCAXAUNEKJYCFA-UHFFFAOYSA-N,"InChI=1S/C22H23ClF2N4O/c1-30-17-5-4-15(24)21(25)19(17)14-6-9-28(10-7-14)16-8-11-29-18(12-13-2-3-13)26-27-22(29)20(16)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,29,30,6,24,22,7,23,21,16,17,5,27,9,3,15,4,10,25,12,11,28,26,14,13,8,20,2/E:(2,3)(6,7)(9,10)/rA:30COCCCCCNCCClCNNCCCCCNCCCCCFCFCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;s25;d25;s27;s27;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923;CHEMBL2215921,PMID:22992024,2012.0,PMID:22992024,2012,0;1,1;0,0,0,0,,=,  8.030;  8.140,8.085,0.055,0.055,2.0,8.085,0.055
-JCBIIKVSAMNGMO_on_P41594_WT,Low,ChEMBL30,CHEMBL450025,NC(CC12CC(C(=O)O)(C1)C2)C(=O)O,JCBIIKVSAMNGMO,JCBIIKVSAMNGMO-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,5,10,11,2,12,7,4,6,1,13,14,8,9/E:(2,3,4)(11,12)(13,14)/rA:14NCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s4s6;s4s6;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1018992,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,=,  3.474,3.4739999999999998,0.0,0.0,1.0,3.4739999999999998,0.0
-JCBIIKVSAMNGMO_on_Q13255_WT,Low,ChEMBL30,CHEMBL450025,NC(CC12CC(C(=O)O)(C1)C2)C(=O)O,JCBIIKVSAMNGMO,JCBIIKVSAMNGMO-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:3,5,10,11,2,12,7,4,6,1,13,14,8,9/E:(2,3,4)(11,12)(13,14)/rA:14NCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s4s6;s4s6;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1018991,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,=,  3.678,3.678,0.0,0.0,1.0,3.678,0.0
-JCGJEPFYMOHIDP_on_O15303_WT,Medium,ChEMBL30,CHEMBL296054;CHEMBL90501,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL712390;CHEMBL718130,PMID:9572889,1998.0,PMID:9572889;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  5.280;  5.280,5.28,0.0,0.0,2.0,5.28,0.0
-JCGJEPFYMOHIDP_on_P41594_WT,Medium,ChEMBL30,CHEMBL296054;CHEMBL90501;CHEMBL42148;CHEMBL46527,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL880764;CHEMBL711712;CHEMBL880764;CHEMBL880764,PMID:9572889,1998.0,PMID:9572889;PMID:10893301;PMID:9572889;PMID:9572889,1998;2000;1998;1998,0,1;0;1;1,0,0;1;0;0,0,,=,  6.140;  6.140;  4.040;  4.240,5.14,1.002,0.579,4.0,5.19,0.95
-JCGJEPFYMOHIDP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL296054;CHEMBL90501,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717927;CHEMBL719076,PMID:9572889,1998.0,PMID:9572889;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  5.800;  5.800,5.8,0.0,0.0,2.0,5.8,0.0
-JCGJEPFYMOHIDP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL42148;CHEMBL46527;CHEMBL296054;CHEMBL90501,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL878220;CHEMBL878220;CHEMBL878220;CHEMBL718215,PMID:9572889,1998.0,PMID:9572889;PMID:9572889;PMID:9572889;PMID:10893301,1998;1998;1998;2000,0,1;1;1;0,0,0;0;0;1,0,,=,  4.420;  4.270;  6.480;  6.480,5.412000000000001,1.069,0.617,4.0,5.45,1.03
-JCGJEPFYMOHIDP_on_Q14832_WT,Medium,ChEMBL30,CHEMBL90501,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-JCGJEPFYMOHIDP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL296054;CHEMBL90501,NC1(C(=O)O)CC2CC1C2C(=O)O,JCGJEPFYMOHIDP,JCGJEPFYMOHIDP-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,10,11,3,2,1,12,13,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s2s8;s7s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL714010;CHEMBL716502,PMID:9572889,1998.0,PMID:9572889;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  4.640;  4.640,4.64,0.0,0.0,2.0,4.64,0.0
-JCHWQMYJHCKEHX_on_O15399_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_O60391_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_Q05586_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_Q12879_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_Q13224_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCHWQMYJHCKEHX_on_Q14957_WT,Low,ChEMBL30,CHEMBL81594,N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1,JCHWQMYJHCKEHX,JCHWQMYJHCKEHX-UHFFFAOYSA-N,"InChI=1S/C25H21N3/c26-25(27-23-17-9-7-15-21(23)19-11-3-1-4-12-19)28-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H3,26,27,28)","""AuxInfo=1/1/N:13,26,12,14,25,27,7,20,6,19,11,15,24,28,8,21,5,18,10,23,9,22,4,17,2,1,3,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(27,28)/rA:28NCNCCCCCCCCCCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;s17d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JCKIOPOXTGNOEZ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16117300;CHEMBL1951874,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)c(F)c2)c1=O,JCKIOPOXTGNOEZ,JCKIOPOXTGNOEZ-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)10-3-4-14(24-2)12(19)9-10/h3-9H,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,20,16,17,8,12,7,13,23,15,11,21,3,18,4,10,5,24,22,2,6,14,25,19,9/rA:25CNCCCNCCSCCCCNCCCCOCCFCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s21;s15d21;s10s14;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.125;  7.120,7.122999999999999,0.003,0.003,2.0,7.122999999999999,0.002
-JCSFRTQDZHPDIT_on_Q12879_WT,Low,ChEMBL30,CHEMBL150491,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCN1CCC(Cc3ccccc3)CC1)n2,JCSFRTQDZHPDIT,JCSFRTQDZHPDIT-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2S/c26-25(27)18-6-7-19-20(15-18)23-21(22-19)28-13-12-24-10-8-17(9-11-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,23)","""AuxInfo=1/1/N:23,22,24,21,25,9,8,17,26,16,27,14,13,19,5,20,18,4,7,6,11,10,28,15,2,1,3,12/E:(2,3)(4,5)(8,9)(10,11)(26,27)/CRV:25.5/rA:28ON+O-CCCCCCNCSCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s18;s15s26;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JCSFRTQDZHPDIT_on_Q13224_WT,Medium,ChEMBL30,CHEMBL150491,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCN1CCC(Cc3ccccc3)CC1)n2,JCSFRTQDZHPDIT,JCSFRTQDZHPDIT-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2S/c26-25(27)18-6-7-19-20(15-18)23-21(22-19)28-13-12-24-10-8-17(9-11-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,23)","""AuxInfo=1/1/N:23,22,24,21,25,9,8,17,26,16,27,14,13,19,5,20,18,4,7,6,11,10,28,15,2,1,3,12/E:(2,3)(4,5)(8,9)(10,11)(26,27)/CRV:25.5/rA:28ON+O-CCCCCCNCSCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s18;s15s26;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-JCSFRTQDZHPDIT_on_Q14957_WT,Low,ChEMBL30,CHEMBL150491,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCN1CCC(Cc3ccccc3)CC1)n2,JCSFRTQDZHPDIT,JCSFRTQDZHPDIT-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2S/c26-25(27)18-6-7-19-20(15-18)23-21(22-19)28-13-12-24-10-8-17(9-11-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,23)","""AuxInfo=1/1/N:23,22,24,21,25,9,8,17,26,16,27,14,13,19,5,20,18,4,7,6,11,10,28,15,2,1,3,12/E:(2,3)(4,5)(8,9)(10,11)(26,27)/CRV:25.5/rA:28ON+O-CCCCCCNCSCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s18;s15s26;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JCTYNUOPCHVQAP_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594114,CC12CCC(OS(=O)(=O)O)CC1CCC1C2CCC2(C)C1CCC2(F)F.c1ccncc1,JCTYNUOPCHVQAP,JCTYNUOPCHVQAP-UHFFFAOYSA-N,"""InChI=1S/C19H30F2O4S.C5H5N/c1-17-8-5-13(25-26(22,23)24)11-12(17)3-4-14-15(17)6-9-18(2)16(14)7-10-19(18,20)21;1-2-4-6-5-3-1/h12-16H,3-11H2,1-2H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,20,13,14,4,17,22,3,18,23,11,12,5,15,16,21,2,19,24,25,26,8,9,10,6,7;27,28,32,29,31,30/E:(20,21)(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCOSOOOCCCCCCCCCCCCCCFFCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s5;s2s11;s12;s13;s14;s2s15;s16;s17;s18;s19;s15s19;s21;s22;s19s23;s24;s24;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-JCTYNUOPCHVQAP_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594114,CC12CCC(OS(=O)(=O)O)CC1CCC1C2CCC2(C)C1CCC2(F)F.c1ccncc1,JCTYNUOPCHVQAP,JCTYNUOPCHVQAP-UHFFFAOYSA-N,"""InChI=1S/C19H30F2O4S.C5H5N/c1-17-8-5-13(25-26(22,23)24)11-12(17)3-4-14-15(17)6-9-18(2)16(14)7-10-19(18,20)21;1-2-4-6-5-3-1/h12-16H,3-11H2,1-2H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,20,13,14,4,17,22,3,18,23,11,12,5,15,16,21,2,19,24,25,26,8,9,10,6,7;27,28,32,29,31,30/E:(20,21)(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCOSOOOCCCCCCCCCCCCCCFFCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s5;s2s11;s12;s13;s14;s2s15;s16;s17;s18;s19;s15s19;s21;s22;s19s23;s24;s24;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-JDBPBOLDVHXIDJ_on_P14867_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-JDBPBOLDVHXIDJ_on_P18507_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830421;CHEMBL830420;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.240;  7.770;  6.850;  6.680,6.885,0.557,0.322,4.0,6.765,0.305
-JDBPBOLDVHXIDJ_on_P28472_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.680;  7.770;  6.850;  6.240,6.885,0.557,0.322,4.0,6.765,0.305
-JDBPBOLDVHXIDJ_on_P31644_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JDBPBOLDVHXIDJ_on_P34903_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-JDBPBOLDVHXIDJ_on_P47869_WT,Low,ChEMBL30,CHEMBL179000,Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1,JDBPBOLDVHXIDJ,JDBPBOLDVHXIDJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-4-6-18(13-15)22-26-27-23-20-16-8-10-17(11-9-16)21(20)24(28-29(22)23)30-14-19-7-2-3-12-25-19/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,5,21,26,28,25,29,18,30,15,2,27,24,6,16,11,12,7,10,13,17,8,9,22,23,14/E:(8,9)(10,11)/rA:30CCCCCCCNNCCCCOCCNCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JDDKQLHULAGKTR_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013207,Cc1ccc(-c2nc3c(ccc(O)c3CNC3CC3)[nH]2)cc1,JDDKQLHULAGKTR,JDDKQLHULAGKTR-UHFFFAOYSA-N,"InChI=1S/C18H19N3O/c1-11-2-4-12(5-3-11)18-20-15-8-9-16(22)14(17(15)21-18)10-19-13-6-7-13/h2-5,8-9,13,19,22H,6-7,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,3,22,4,21,18,19,10,11,15,2,5,17,14,9,12,8,6,16,20,7,13/E:(2,3)(4,5)(6,7)/rA:22CCCCCCNCCCCCOCCNCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s14;s15;s16;s17;s17s18;s6s9;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-JDDKQLHULAGKTR_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013207;70695845,Cc1ccc(-c2nc3c(ccc(O)c3CNC3CC3)[nH]2)cc1,JDDKQLHULAGKTR,JDDKQLHULAGKTR-UHFFFAOYSA-N,"InChI=1S/C18H19N3O/c1-11-2-4-12(5-3-11)18-20-15-8-9-16(22)14(17(15)21-18)10-19-13-6-7-13/h2-5,8-9,13,19,22H,6-7,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,3,22,4,21,18,19,10,11,15,2,5,17,14,9,12,8,6,16,20,7,13/E:(2,3)(4,5)(6,7)/rA:22CCCCCCNCCCCCOCCNCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s14;s15;s16;s17;s17s18;s6s9;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-JDFHUAPQXFRPEE_on_P31644_WT,High,ChEMBL30,CHEMBL3676439,O=C(NC1CCOCC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,JDFHUAPQXFRPEE,JDFHUAPQXFRPEE-UHFFFAOYSA-N,"InChI=1S/C20H25FN4O4/c21-15-2-3-17(22-10-15)19-14(12-29-25-19)11-28-18-4-1-13(9-23-18)20(26)24-16-5-7-27-8-6-16/h1,4,9,12,15-17,22H,2-3,5-8,10-11H2,(H,24,26)","""AuxInfo=1/1/N:11,23,22,12,5,9,6,8,29,26,15,17,10,16,24,4,21,13,20,2,25,27,28,3,19,1,7,14,18/E:(5,6)(7,8)/rA:29OCNCCCOCCCCCCOCCCONCCCCCFCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;s21;s22;s23;s24;s24;s21s26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-JDFSJBMBMZRXML_on_P41594_WT,High,ChEMBL30,CHEMBL201857,Cc1nc(C#Cc2cnccc2)c(C)s1,JDFSJBMBMZRXML,JDFSJBMBMZRXML-UHFFFAOYSA-N,"InChI=1S/C12H10N2S/c1-9-12(14-10(2)15-9)6-5-11-4-3-7-13-8-11/h3-4,7-8H,1-2H3","""AuxInfo=1/0/N:14,1,11,12,6,5,10,8,13,2,7,4,9,3,15/rA:15CCNCCCCCNCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2s13;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-JDFWQYOHYDSAAI_on_Q13255_WT,Low,ChEMBL30,CHEMBL174218,CCc1c(C)nc2ccc(C(=O)C3CC4CCC3C4)cc2c1,JDFWQYOHYDSAAI,JDFWQYOHYDSAAI-UHFFFAOYSA-N,"InChI=1S/C20H23NO/c1-3-14-10-17-11-16(6-7-19(17)21-12(14)2)20(22)18-9-13-4-5-15(18)8-13/h6-7,10-11,13,15,18H,3-5,8-9H2,1-2H3","""AuxInfo=1/0/N:1,5,2,16,17,9,8,19,14,22,20,4,15,3,18,10,21,13,7,11,6,12/rA:22CCCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s15s18;d10;s7s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JDIGFOXOLFCZMD_on_P41594_WT,High,ChEMBL30,CHEMBL1682825,O=C1CCOc2c1ccc(CCc1ccccc1)n2,JDIGFOXOLFCZMD,JDIGFOXOLFCZMD-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,13,10,7,2,6,19,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.280;  6.280,6.28,0.0,0.0,2.0,6.28,0.0
-JDKLUVRUHNLSBJ_on_P41594_WT,Low,ChEMBL30,CHEMBL1951665,CN(C)c1c2c(ncc1)sc1c2ccn(C2CCCCC2)c1=O,JDKLUVRUHNLSBJ,JDKLUVRUHNLSBJ-UHFFFAOYSA-N,"InChI=1S/C18H21N3OS/c1-20(2)14-8-10-19-17-15(14)13-9-11-21(18(22)16(13)23-17)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,13,8,14,16,12,4,5,11,6,22,7,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCCCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JDKLUVRUHNLSBJ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16117979;CHEMBL1951665,CN(C)c1c2c(ncc1)sc1c2ccn(C2CCCCC2)c1=O,JDKLUVRUHNLSBJ,JDKLUVRUHNLSBJ-UHFFFAOYSA-N,"InChI=1S/C18H21N3OS/c1-20(2)14-8-10-19-17-15(14)13-9-11-21(18(22)16(13)23-17)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,13,8,14,16,12,4,5,11,6,22,7,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCCCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  8.092;  8.090,8.091000000000001,0.001,0.001,2.0,8.091000000000001,0.001
-JDKWNHPOHQWVSN_on_Q14416_WT,High,ChEMBL30,CHEMBL3337526,CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O,JDKWNHPOHQWVSN,JDKWNHPOHQWVSN-UHFFFAOYSA-N,"InChI=1S/C20H25ClN2O/c1-15(2)14-23-13-10-18(19(21)20(23)24)22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,11,19,7,10,20,6,4,2,13,12,8,21,23,22,9,5,24/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:24CCCCNCCCNCCCCCCCCCCCCClCO/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;s9s19;d8;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-JDUUUOFISWZLLP_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684104,O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1Cc1ccccc1,JDUUUOFISWZLLP,JDUUUOFISWZLLP-UHFFFAOYSA-N,"InChI=1S/C24H19NO/c26-24-23-14-13-20(12-11-19-7-3-1-4-8-19)17-22(23)15-16-25(24)18-21-9-5-2-6-10-21/h1-10,13-14,17H,15-16,18H2","""AuxInfo=1/0/N:12,24,11,13,23,25,10,14,22,26,8,7,15,16,17,18,5,20,9,6,21,4,3,2,19,1/E:(3,4)(5,6)(7,8)(9,10)/rA:26OCCCCCCCCCCCCCCCCCNCCCCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;s17;s2s18;s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-JDVQIBTYUSQQTE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70693924;CHEMBL2022160,Cc1cc(NC(=O)NC2=NC(=O)CCN2)ccc1,JDVQIBTYUSQQTE,JDVQIBTYUSQQTE-UHFFFAOYSA-N,"InChI=1S/C12H14N4O2/c1-8-3-2-4-9(7-8)14-12(18)16-11-13-6-5-10(17)15-11/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16,17,18)","""AuxInfo=1/1/N:1,17,18,16,13,14,3,2,4,11,9,6,15,5,10,8,12,7/rA:18CCCCNCONCNCOCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;w?9;s10;d11;s11;s13;s9s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  5.409;  5.410,5.409,0.001,0.001,2.0,5.409,0.001
-JDXZENOQNDFIER_on_Q13255_WT,High,ChEMBL30,CHEMBL3330823,COc1ccc(-n2cnc3c(scc3-c3c(C)cccc3)c2=O)cc1,JDXZENOQNDFIER,JDXZENOQNDFIER-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3","""AuxInfo=1/0/N:17,1,19,20,18,21,5,24,4,25,13,8,16,6,3,15,14,10,11,22,9,7,23,2,12/E:(7,8)(9,10)/rA:25COCCCCNCNCCSCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s16;d18;s19;s15d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDXZKARLDZENPM_on_Q13255_WT,Low,ChEMBL30,CHEMBL1253501,NC(C(=O)O)C1C(C(=O)O)C1C1CC1,JDXZKARLDZENPM,JDXZKARLDZENPM-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:13,14,12,11,6,7,2,8,3,1,9,10,4,5/E:(1,2)(11,12)(13,14)/rA:14NCCOOCCCOOCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1252028,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JDXZKARLDZENPM_on_Q14416_WT,Low,ChEMBL30,CHEMBL1253501,NC(C(=O)O)C1C(C(=O)O)C1C1CC1,JDXZKARLDZENPM,JDXZKARLDZENPM-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:13,14,12,11,6,7,2,8,3,1,9,10,4,5/E:(1,2)(11,12)(13,14)/rA:14NCCOOCCCOOCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1252112,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  7.301,7.301,0.0,0.0,1.0,7.301,0.0
-JDXZKARLDZENPM_on_Q14833_WT,Low,ChEMBL30,CHEMBL1253501,NC(C(=O)O)C1C(C(=O)O)C1C1CC1,JDXZKARLDZENPM,JDXZKARLDZENPM-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:13,14,12,11,6,7,2,8,3,1,9,10,4,5/E:(1,2)(11,12)(13,14)/rA:14NCCOOCCCOOCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1252114,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JDYKHTCWXLKMDP_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771672;CHEMBL1771672;CHEMBL1771671,O=C(C1CCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,JDYKHTCWXLKMDP,JDYKHTCWXLKMDP-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2","""AuxInfo=1/0/N:10,9,5,18,4,6,17,19,11,8,22,3,16,20,12,15,13,2,21,14,23,7,1,24/E:(5,6)/rA:24OCCCCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s7s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  6.190;  6.220;  6.160,6.19,0.024,0.017,3.0,6.19,0.03
-JDYLMOJCIKYTGV_on_O00591_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_O14764_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_P14867_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9435905,2000;1997,0;1,0,0,1;0,0,,=,  7.220;  7.350,7.285,0.065,0.065,2.0,7.285,0.065
-JDYLMOJCIKYTGV_on_P18505_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_P18507_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1997;2000;2000;2000;2000,1;0;0;0;0,0,0,0;1;1;1;1,0,,=,  7.350;  6.000;  6.900;  6.900;  7.220,6.874,0.47100000000000003,0.23600000000000002,5.0,6.9,0.32
-JDYLMOJCIKYTGV_on_P28472_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL678329;CHEMBL650075;CHEMBL682251,PMID:9435905,1997.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9435905;PMID:10633039,2000;2000;2000;1997;2000,0;0;0;1;0,0,0,1;1;1;0;1,0,,=,  6.000;  6.900;  7.220;  7.350;  6.900,6.874,0.47100000000000003,0.23600000000000002,5.0,6.9,0.32
-JDYLMOJCIKYTGV_on_P31644_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9435905,2000;1997,0;1,0,0,1;0,0,,=,  6.000;  7.350,6.675,0.675,0.675,2.0,6.675,0.675
-JDYLMOJCIKYTGV_on_P34903_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  7.350;  6.900,7.125,0.225,0.225,2.0,7.125,0.225
-JDYLMOJCIKYTGV_on_P47869_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9435905,2000;1997,0;1,0,0,1;0,0,,=,  6.900;  7.350,7.125,0.225,0.225,2.0,7.125,0.225
-JDYLMOJCIKYTGV_on_P47870_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_P48169_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_P78334_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_Q16445_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JDYLMOJCIKYTGV_on_Q99928_WT,Low,ChEMBL30,CHEMBL298561,Clc1ncc2[nH]c3c(cccc3)c2c1,JDYLMOJCIKYTGV,JDYLMOJCIKYTGV-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H","""AuxInfo=1/0/N:10,11,9,12,14,4,8,13,7,5,2,1,3,6/rA:14ClCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2d13;/rC:;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-JEDDRRUNEZGUKJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3913733,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)NC(C)(C)C2=O)c3F)cn1,JEDDRRUNEZGUKJ,JEDDRRUNEZGUKJ-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c1-20(2)18(29)27(19(30)25-20)9-10-4-5-12-13(11-7-23-26(3)8-11)6-14(17(22)28)24-16(12)15(10)21/h4-8H,9H2,1-3H3,(H2,22,28)(H,25,30)","""AuxInfo=1/1/N:23,24,1,15,14,6,29,3,17,16,4,13,5,7,27,12,8,25,19,22,28,9,30,11,21,2,18,10,26,20/E:(1,2)/rA:30CNCCCCCCNONCCCCCCNCONCCCCOCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;d19;s19;s21;s22;s22;s18s22;d25;s12d16;s27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-JEGUPAYNPUQNTR_on_P41594_WT,Medium,ChEMBL30,CHEMBL239606,O=C(Nc1ccccc1)c1cccc2c1nc(O)o2,JEGUPAYNPUQNTR,JEGUPAYNPUQNTR-UHFFFAOYSA-N,"InChI=1S/C14H10N2O3/c17-13(15-9-5-2-1-3-6-9)10-7-4-8-11-12(10)16-14(18)19-11/h1-8H,(H,15,17)(H,16,18)","""AuxInfo=1/1/N:7,6,8,12,5,9,11,13,4,10,14,15,2,17,3,16,1,18,19/E:(2,3)(5,6)/rA:19OCNCCCCCCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;s15;d16;s17;s14s17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-JEHPEWPEWAFOKN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL198305;44404932,CSc1cccnc1Nc1nc(C)ccc1,JEHPEWPEWAFOKN,JEHPEWPEWAFOKN-UHFFFAOYSA-N,"InChI=1S/C12H13N3S/c1-9-5-3-7-11(14-9)15-12-10(16-2)6-4-8-13-12/h3-8H,1-2H3,(H,13,14,15)","""AuxInfo=1/1/N:13,1,15,5,14,4,16,6,12,3,10,8,7,11,9,2/rA:16CSCCCCNCNCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;s12;d12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.100;  6.102,6.101,0.001,0.001,2.0,6.101,0.001
-JEHSVQICCQDKLQ_on_Q14571_WT,Low,ChEMBL30,CHEMBL1161466,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(F)(F)C(O)C1OP(=O)(O)O,JEHSVQICCQDKLQ,JEHSVQICCQDKLQ-UHFFFAOYSA-N,"InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:7,6,20,18,9,15,16,17,8,19,1,3,4,23,24,25,12,13,14,5,21,10,2,22,11/E:(7,8)(11,12,13)(14,15,16)(17,18,19)/rA:25OPOOOCCOCOPOOOCFFCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s15;s15;s18;s6s18;s20;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL699700,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,1,0,0,0,,=,  6.390;  4.280,5.335,1.055,1.055,2.0,5.335,1.055
-JEHSVQICCQDKLQ_on_Q14573_WT,Medium,ChEMBL30,CHEMBL1161466,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(F)(F)C(O)C1OP(=O)(O)O,JEHSVQICCQDKLQ,JEHSVQICCQDKLQ-UHFFFAOYSA-N,"InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:7,6,20,18,9,15,16,17,8,19,1,3,4,23,24,25,12,13,14,5,21,10,2,22,11/E:(7,8)(11,12,13)(14,15,16)(17,18,19)/rA:25OPOOOCCOCOPOOOCFFCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s15;s15;s18;s6s18;s20;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697191,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JEHSVQICCQDKLQ_on_Q14643_WT,Low,ChEMBL30,CHEMBL1161466,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(F)(F)C(O)C1OP(=O)(O)O,JEHSVQICCQDKLQ,JEHSVQICCQDKLQ-UHFFFAOYSA-N,"InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:7,6,20,18,9,15,16,17,8,19,1,3,4,23,24,25,12,13,14,5,21,10,2,22,11/E:(7,8)(11,12,13)(14,15,16)(17,18,19)/rA:25OPOOOCCOCOPOOOCFFCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s10;d11;s11;s11;s9;s15;s15;s15;s18;s6s18;s20;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL699700,DOI:10.1016/S0960-894X(01)81052-0,1991.0,DOI:10.1016/S0960-894X(01)81052-0,1991,0,1,0,0,0,,=,  6.390;  4.280,5.335,1.055,1.055,2.0,5.335,1.055
-JEJVVFXHKUDHMW_on_P41594_WT,High,ChEMBL30,CHEMBL3644432,Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,JEJVVFXHKUDHMW,JEJVVFXHKUDHMW-UHFFFAOYSA-N,"InChI=1S/C24H22N6O/c1-15-10-26-20(11-25-15)18-3-2-4-19-17(18)7-8-30-22(19)9-23(27-12-24(30)31)29-13-21(28-14-29)16-5-6-16/h2-4,9-11,13-14,16H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,8,7,9,25,26,12,13,28,3,30,17,27,21,2,24,11,6,10,5,23,29,19,15,31,4,18,22,20,14,16/E:(5,6)/rA:31CCCNCCCCCCCCCNCOCNCNCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JEJVVFXHKUDHMW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644432,Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,JEJVVFXHKUDHMW,JEJVVFXHKUDHMW-UHFFFAOYSA-N,"InChI=1S/C24H22N6O/c1-15-10-26-20(11-25-15)18-3-2-4-19-17(18)7-8-30-22(19)9-23(27-12-24(30)31)29-13-21(28-14-29)16-5-6-16/h2-4,9-11,13-14,16H,5-8,12H2,1H3","""AuxInfo=1/0/N:1,8,7,9,25,26,12,13,28,3,30,17,27,21,2,24,11,6,10,5,23,29,19,15,31,4,18,22,20,14,16/E:(5,6)/rA:31CCCNCCCCCCCCCNCOCNCNCNCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-JEKQTOPNJIBCNC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113962,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)cc(C)n1,JEKQTOPNJIBCNC,JEKQTOPNJIBCNC-UHFFFAOYSA-N,"InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-20-5-6-20)25-28-24(19-11-16(2)27-17(3)12-19)22-8-9-30-21(13-26)14-29(22)25/h4,7,10-12,20-21H,5-6,8-9,13-14H2,1-3H3","""AuxInfo=1/0/N:25,1,30,17,22,23,18,7,8,26,3,28,11,13,24,2,29,16,4,21,10,6,19,5,15,12,31,27,14,9,20/E:(2,3)(5,6)(11,12)(16,17)/rA:31CCCCCCCCOCCFCNCCCCCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21s22;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-JELPBSMFTLNZQE_on_P18507_WT,Low,ChEMBL30,CHEMBL395137,CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,JELPBSMFTLNZQE,JELPBSMFTLNZQE-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,7,13,22,17,18,19,8,9,10/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JELPBSMFTLNZQE_on_P28472_WT,High,ChEMBL30,CHEMBL395137,CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,JELPBSMFTLNZQE,JELPBSMFTLNZQE-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,7,13,22,17,18,19,8,9,10/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-JELPBSMFTLNZQE_on_P47869_WT,Low,ChEMBL30,CHEMBL395137,CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,JELPBSMFTLNZQE,JELPBSMFTLNZQE-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,7,13,22,17,18,19,8,9,10/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JELPBSMFTLNZQE_on_P47870_WT,Low,ChEMBL30,CHEMBL395137,CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,JELPBSMFTLNZQE,JELPBSMFTLNZQE-UHFFFAOYSA-N,"InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,14,20,6,15,12,21,5,4,11,16,7,13,22,17,18,19,8,9,10/E:(4,5)(8,9)(15,16)(17,18,19)/rA:22CCCCCCClNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JENGWHZWWIWXBO_on_P31644_WT,High,ChEMBL30,CHEMBL3681448,O=C(NC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,JENGWHZWWIWXBO,JENGWHZWWIWXBO-UHFFFAOYSA-N,"InChI=1S/C20H15F4N3O3/c21-13-4-1-11(2-5-13)17-15(18(30-27-17)20(22,23)24)10-29-16-8-3-12(9-25-16)19(28)26-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,26,28)","""AuxInfo=1/1/N:23,28,8,24,27,5,6,9,30,12,22,7,25,4,13,10,21,14,2,15,26,16,17,18,29,3,20,1,11,19/E:(1,2)(4,5)(6,7)(22,23,24)/rA:30OCNCCCCCCCOCCCCFFFONCCCCCFCCNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s25;s22d27;s10;s7d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JEOGCSKMXJNCQU_on_P41594_WT,High,ChEMBL30,CHEMBL4080811,O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1,JEOGCSKMXJNCQU,JEOGCSKMXJNCQU-UHFFFAOYSA-N,"InChI=1S/C21H12F3NO2S/c22-14-9-7-13(8-10-14)20-17-5-2-6-18(24)21(17)25-12-19(20)28(26,27)16-4-1-3-15(23)11-16/h1-12H","""AuxInfo=1/0/N:6,18,7,5,19,17,23,28,24,27,10,12,22,25,8,4,20,15,11,21,14,26,9,16,13,1,3,2/E:(7,8)(9,10)(26,27)/CRV:28.6/rA:28OSOCCCCCFCCCNCCFCCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;d6;s7;s8;s4d8;s2;d11;s12;d13;s14;s15;d15;s17;d18;s14s19;s11d20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-JEOLLIJNXNLLEV_on_P41594_WT,Low,ChEMBL30,CHEMBL3603912,NC(=O)c1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1,JEOLLIJNXNLLEV,JEOLLIJNXNLLEV-UHFFFAOYSA-N,"InChI=1S/C14H10FN5O/c15-11-5-9(4-10(6-11)14(16)21)12-7-13(18-8-17-12)20-3-1-2-19-20/h1-8H,(H2,16,21)","""AuxInfo=1/1/N:15,16,14,21,8,5,11,19,9,4,6,10,12,2,7,1,20,18,17,13,3/rA:21NCOCCCFCCCCCNCCCNNCNC/rB:s1;d2;s2;d4;s5;s6;d6;s8;s9;d10;s11;s12;s13;d14;s15;s13d16;d12;s18;s10d19;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,0,0,0,1,0,,<,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-JEUGTSHICBOMGA_on_P18507_WT,Low,ChEMBL30,CHEMBL1783244,CCCN1Cc2c(C1=O)c(N)c1cccc(CC(C)(C)C)c1n2,JEUGTSHICBOMGA,JEUGTSHICBOMGA-UHFFFAOYSA-N,"InChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21)","""AuxInfo=1/1/N:1,19,20,21,2,14,15,13,3,17,5,16,12,6,7,10,22,8,18,11,23,4,9/E:(2,3,4)/rA:23CCCNCCCCOCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;d13;s14;d15;s16;s17;s18;s18;s18;s12s16;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-JEUGTSHICBOMGA_on_P28472_WT,Low,ChEMBL30,CHEMBL1783244,CCCN1Cc2c(C1=O)c(N)c1cccc(CC(C)(C)C)c1n2,JEUGTSHICBOMGA,JEUGTSHICBOMGA-UHFFFAOYSA-N,"InChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21)","""AuxInfo=1/1/N:1,19,20,21,2,14,15,13,3,17,5,16,12,6,7,10,22,8,18,11,23,4,9/E:(2,3,4)/rA:23CCCNCCCCOCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;d13;s14;d15;s16;s17;s18;s18;s18;s12s16;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-JEUGTSHICBOMGA_on_P47869_WT,Low,ChEMBL30,CHEMBL1783244,CCCN1Cc2c(C1=O)c(N)c1cccc(CC(C)(C)C)c1n2,JEUGTSHICBOMGA,JEUGTSHICBOMGA-UHFFFAOYSA-N,"InChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8H,5,9-11H2,1-4H3,(H2,20,21)","""AuxInfo=1/1/N:1,19,20,21,2,14,15,13,3,17,5,16,12,6,7,10,22,8,18,11,23,4,9/E:(2,3,4)/rA:23CCCNCCCCOCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;d13;s14;d15;s16;s17;s18;s18;s18;s12s16;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-JEVQKQPQVOOHMD_on_P41594_WT,High,ChEMBL30,CHEMBL3702440,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cncs1)ccc3,JEVQKQPQVOOHMD,JEVQKQPQVOOHMD-UHFFFAOYSA-N,"InChI=1S/C22H19N5OS/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2","""AuxInfo=1/0/N:28,29,27,11,12,18,19,14,23,3,13,7,25,10,17,16,21,9,15,22,5,2,24,4,8,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCNCSCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-JEVQKQPQVOOHMD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702440,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cncs1)ccc3,JEVQKQPQVOOHMD,JEVQKQPQVOOHMD-UHFFFAOYSA-N,"InChI=1S/C22H19N5OS/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2","""AuxInfo=1/0/N:28,29,27,11,12,18,19,14,23,3,13,7,25,10,17,16,21,9,15,22,5,2,24,4,8,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCNCSCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-JEZANMKGEOPWEV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3972456,N#Cc1nc2c(ccc(CN3CCCC3=O)c2)c(-c2ccc(F)cc2)c1,JEZANMKGEOPWEV,JEZANMKGEOPWEV-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O/c22-16-6-4-15(5-7-16)19-11-17(12-23)24-20-10-14(3-8-18(19)20)13-25-9-1-2-21(25)26/h3-8,10-11H,1-2,9,13H2","""AuxInfo=1/0/N:13,14,8,20,25,21,24,7,12,17,26,2,10,9,19,22,3,6,18,5,15,23,1,4,11,16/E:(4,5)(6,7)/rA:26NCCNCCCCCCNCCCCOCCCCCCFCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s11s14;d15;s5d9;s6;s18;d19;s20;d21;s22;s22;s19d24;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-JFAYICLXERWYOZ_on_Q14416_WT,High,ChEMBL30,CHEMBL4093620,Cc1cc(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)ccn1,JFAYICLXERWYOZ,JFAYICLXERWYOZ-UHFFFAOYSA-N,"InChI=1S/C22H18ClFN4O/c1-13-10-16(6-8-25-13)29-19-5-4-15(12-18(19)24)17-7-9-28-20(11-14-2-3-14)26-27-22(28)21(17)23/h4-10,12,14H,2-3,11H2,1H3","""AuxInfo=1/0/N:1,20,21,25,26,27,24,28,23,3,18,9,2,19,10,4,11,7,6,17,12,14,13,8,29,16,15,22,5/E:(2,3)/rA:29CCCCOCCFCCCCClCNNCCCCCNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s12;d14;s15;d16;s17;s18;s19;s19s20;s14s17;s22;s11d23;s10;s6d25;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040510;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;0;1,0;1;0,0,,=,  6.600;  7.200;  7.420,7.0729999999999995,0.34700000000000003,0.245,3.0,7.2,0.22
-JFCCAFNVHKWPOI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3933190,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)CC3)cc2n1,JFCCAFNVHKWPOI,JFCCAFNVHKWPOI-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c23-16-4-2-15(3-5-16)19-12-21(22(24)28)25-20-11-14(1-6-18(19)20)13-26-9-7-17(27)8-10-26/h1-6,11-12,17,27H,7-10,13H2,(H2,24,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,24,20,25,26,5,18,17,7,10,22,14,6,27,4,2,11,1,28,19,23,3/E:(2,3)(4,5)(7,8)(9,10)/rA:28NCOCCCCCCCFCCCCCCCNCCCOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s19s24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-JFJZZMVDLULRGK_on_O00591_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_O14764_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P14867_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P18505_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P18507_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P28472_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P31644_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P34903_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P47869_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P47870_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P48169_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_P78334_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_Q16445_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFJZZMVDLULRGK_on_Q99928_WT,Low,ChEMBL30,CHEMBL339427,COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2,JFJZZMVDLULRGK,JFJZZMVDLULRGK-UHFFFAOYSA-O,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1","""AuxInfo=1/2/N:12,34,35,1,28,16,20,44,17,19,43,9,31,10,32,14,37,39,8,25,5,15,38,7,24,18,6,13,36,41,40,3,4,26,23,29,22,11,33,42,30,2,27,21,45/E:(2,3)(6,7)(9,10)/CRV:39+1,41-1/rA:45COCCCCCCCCNCCCCCCCCCOCCCCCOCCOCCN+CCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s6s11;s13;s14;d15;s16;d17;s18;s15d19;s18;s21;d22;s23;d24;s25;s26;s27;s22d26;s29;s24;s31;s32;s33;s33;s23s33;s36;s37;d38;s39;d40;s41;s41;s38d43;s4s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685366,PMID:1317920,1992.0,PMID:1317920,1992,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-JFLIRSQDAYXCSS_on_Q14416_WT,High,ChEMBL30,CHEMBL3885115,FC(F)(F)c1c(OCC(F)(F)c2ccccc2)ccn2c(CC3CC3)nnc12,JFLIRSQDAYXCSS,JFLIRSQDAYXCSS-UHFFFAOYSA-N,"InChI=1S/C19H16F5N3O/c20-18(21,13-4-2-1-3-5-13)11-28-14-8-9-27-15(10-12-6-7-12)25-26-17(27)16(14)19(22,23)24/h1-5,8-9,12H,6-7,10-11H2","""AuxInfo=1/0/N:15,14,16,13,17,24,25,18,19,22,8,23,12,6,21,5,28,9,2,10,11,1,3,4,26,27,20,7/E:(2,3)(4,5)(6,7)(20,21)(22,23,24)/rA:28FCFFCCOCCFFCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s9;s9;d12;s13;d14;s15;s12d16;s6;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s5s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-JFNLFACLBDORRG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109387,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OCF)c(C)c3)n2)cc(CO)n1,JFNLFACLBDORRG,JFNLFACLBDORRG-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O3/c1-14-7-16(3-4-21(14)31-13-25)23-27-22(17-8-15(2)26-18(9-17)12-29)20-5-6-30-19(10-24)11-28(20)23/h3-4,7-9,19,29H,5-6,10-13H2,1-2H3","""AuxInfo=1/0/N:24,1,17,18,7,8,25,3,27,11,13,29,21,23,2,16,4,28,10,6,19,5,15,12,22,31,26,14,30,9,20/rA:31CCCCCCCCOCCFCNCCCCCOCFCCCNCCCON/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s19;s23;s16d23;s5d15;d4;s27;s28;s29;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-JFONUHWYOVYDJT_on_P18507_WT,Low,ChEMBL30,CHEMBL1079299,CCC(F)(F)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,JFONUHWYOVYDJT,JFONUHWYOVYDJT-UHFFFAOYSA-N,"InChI=1S/C15H12F3N5/c1-2-15(17,18)13-12-6-23-14(19-7-21-23)10-5-9(16)3-4-11(10)22(12)8-20-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,3,19,4,5,12,23,10,21,9/E:(17,18)/rA:23CCCFFCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;s3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JFONUHWYOVYDJT_on_P28472_WT,Low,ChEMBL30,CHEMBL1079299,CCC(F)(F)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,JFONUHWYOVYDJT,JFONUHWYOVYDJT-UHFFFAOYSA-N,"InChI=1S/C15H12F3N5/c1-2-15(17,18)13-12-6-23-14(19-7-21-23)10-5-9(16)3-4-11(10)22(12)8-20-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,3,19,4,5,12,23,10,21,9/E:(17,18)/rA:23CCCFFCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;s3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JFONUHWYOVYDJT_on_P31644_WT,Low,ChEMBL30,CHEMBL1079299,CCC(F)(F)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,JFONUHWYOVYDJT,JFONUHWYOVYDJT-UHFFFAOYSA-N,"InChI=1S/C15H12F3N5/c1-2-15(17,18)13-12-6-23-14(19-7-21-23)10-5-9(16)3-4-11(10)22(12)8-20-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,3,19,4,5,12,23,10,21,9/E:(17,18)/rA:23CCCFFCCCNNCNCCCCCCFCNCN/rB:s1;s2;s3;s3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JFRVIRASSXIVLH_on_O15399_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_O60391_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_Q12879_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRVIRASSXIVLH_on_Q14957_WT,Low,ChEMBL30,CHEMBL1196158,CC(C)(C)N=C(N)Nc1c(I)cccc1,JFRVIRASSXIVLH,JFRVIRASSXIVLH-UHFFFAOYSA-N,"InChI=1S/C11H16IN3/c1-11(2,3)15-10(13)14-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H3,13,14,15)","""AuxInfo=1/1/N:1,3,4,13,14,12,15,10,9,6,2,11,7,8,5/E:(1,2,3)/rA:15CCCCNCNNCCICCCC/rB:s1;s2;s2;s2;w?5;s6;s6;s8;d9;s10;s10;d12;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.018,5.018,0.0,0.0,1.0,5.018,0.0
-JFRXMDANHVDUCO_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771646,O=C(C1CCCCC1)N1CCCC1c1nc(-c2cccc(F)c2)no1,JFRXMDANHVDUCO,JFRXMDANHVDUCO-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2/c20-15-9-4-8-14(12-15)17-21-18(25-22-17)16-10-5-11-23(16)19(24)13-6-2-1-3-7-13/h4,8-9,12-13,16H,1-3,5-7,10-11H2","""AuxInfo=1/0/N:6,5,7,19,11,4,8,18,20,12,10,23,3,17,21,13,16,14,2,22,15,24,9,1,25/E:(2,3)(6,7)/rA:25OCCCCCCCNCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;s9s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JFVQMYLXIIQSQB_on_P41594_WT,High,ChEMBL30,CHEMBL595703,CCCC1CCCCN1C(=O)c1cnc(Nc2cnc(C)cc2)c(Cl)c1,JFVQMYLXIIQSQB,JFVQMYLXIIQSQB-UHFFFAOYSA-N,"InChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,21,2,6,7,3,5,22,23,8,26,13,18,20,12,17,4,24,15,10,25,19,14,16,9,11/rA:26CCCCCCCCNCOCCNCNCCNCCCCCClC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;d10;s10;d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s24;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065282;CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  7.800;  7.050,7.425,0.375,0.375,2.0,7.425,0.375
-JGAJVWHCNOJRCV_on_P41594_WT,High,ChEMBL30,CHEMBL3702402,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)ccn1,JGAJVWHCNOJRCV,JGAJVWHCNOJRCV-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-30-22-11-15(5-7-26-22)19-12-21-18-4-2-3-17(20-13-24-8-9-25-20)16(18)6-10-28(21)23(29)14-27-19/h2-5,7-9,11-13H,6,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,28,13,29,23,24,12,4,27,21,8,5,14,19,15,6,20,26,3,9,22,25,30,7,11,10,2/rA:30COCCCCNCCONCCCCCCCCCCNCCNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-JGAJVWHCNOJRCV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702402,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)ccn1,JGAJVWHCNOJRCV,JGAJVWHCNOJRCV-UHFFFAOYSA-N,"InChI=1S/C23H19N5O2/c1-30-22-11-15(5-7-26-22)19-12-21-18-4-2-3-17(20-13-24-8-9-25-20)16(18)6-10-28(21)23(29)14-27-19/h2-5,7-9,11-13H,6,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,28,13,29,23,24,12,4,27,21,8,5,14,19,15,6,20,26,3,9,22,25,30,7,11,10,2/rA:30COCCCCNCCONCCCCCCCCCCNCCNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JGAPXKNSMVXLBA_on_P31644_WT,High,ChEMBL30,CHEMBL3681587,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccc(Cl)cn2)no1,JGAPXKNSMVXLBA,JGAPXKNSMVXLBA-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O3S/c1-13-16(19(24-28-13)17-4-3-15(21)11-22-17)12-27-18-5-2-14(10-23-18)20(26)25-6-8-29-9-7-25/h2-5,10-11H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,8,23,22,7,13,17,14,16,18,26,4,2,9,24,3,21,6,20,10,25,27,19,28,12,11,5,29,15/E:(6,7)(8,9)/rA:29CCCCOCCCCCONCCSCCCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-JGAVQGBFTGHKPE_on_Q13255_WT,High,ChEMBL30,CHEMBL3786160,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4F)C3=O)cc2)occ1,JGAVQGBFTGHKPE,JGAVQGBFTGHKPE-UHFFFAOYSA-N,"InChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-12-5-6-17(15(21)9-12)24-10-14-13(20(24)26)3-2-4-16(14)22/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,24,23,27,26,8,13,2,7,15,14,9,19,11,3,4,21,10,20,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCFCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.060;  6.050,6.055,0.005,0.005,2.0,6.055,0.005
-JGHBPNBQOJRAQU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258914,NC(=O)c1c(NC(=O)Cn2cc(CNC3CC3)c(C(F)(F)F)n2)sc2c1CCCC2,JGHBPNBQOJRAQU,JGHBPNBQOJRAQU-UHFFFAOYSA-N,"InChI=1S/C19H22F3N5O2S/c20-19(21,22)16-10(7-24-11-5-6-11)8-27(26-16)9-14(28)25-18-15(17(23)29)12-3-1-2-4-13(12)30-18/h8,11,24H,1-7,9H2,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:28,29,27,30,16,17,13,11,9,12,15,26,25,7,4,18,2,5,19,20,21,22,1,14,6,23,10,8,3,24/E:(5,6)(20,21,22)/rA:30NCOCCNCOCNCCCNCCCCCFFFNSCCCCCC/rB:s1;d2;s2;d4;s5;s6;d7;s7;s9;s10;d11;s12;s13;s14;s15;s15s16;s12;s18;s19;s19;s19;s10d18;s5;s24;s4d25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-JGVCISSLGASTTA_on_O00591_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_O14764_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P14867_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P18505_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P18507_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P28472_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P31644_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P34903_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P47869_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P47870_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P48169_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_P78334_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_Q16445_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGVCISSLGASTTA_on_Q99928_WT,Low,ChEMBL30,CHEMBL371834,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12,JGVCISSLGASTTA,JGVCISSLGASTTA-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,17,20,9,10,6,15,18,7,4,5,14,12,2,19,8,3,22,11,23,13,1/E:(1,2)(3,4)/rA:23OCNCCCCClCCNCOCCCCCClCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JGXUCEXYUKMDKB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL362969;44398255;CHEMBL362969,O=C(Nc1ccc(Br)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccc1,JGXUCEXYUKMDKB,JGXUCEXYUKMDKB-UHFFFAOYSA-N,"InChI=1S/C21H14BrN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)","""AuxInfo=1/1/N:18,19,27,26,17,20,28,6,5,25,9,11,10,7,16,15,4,23,2,21,13,8,24,3,12,1,22,14/E:(1,2)(5,6)(15,16)(20,21)(27,28)/rA:28OCNCCCCBrCCCNCOCCCCCCCOCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;PubChemAID:240173;CHEMBL903194,PMID:15537338,2004.0,PMID:15537338;PubChemAID:240173;PMID:17210250,2004;2010;2007,0,1;0;1,0,0,0;1;0,,=,  6.130;  6.131;  6.120,6.127000000000001,0.005,0.004,3.0,6.13,0.001
-JHAZUAGNNLPWFY_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545303;CHEMBL3087213,COC(=O)N1C2CCC1CC(O)(C#Cc1ccccc1)C2,JHAZUAGNNLPWFY,JHAZUAGNNLPWFY-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-16(19)18-14-7-8-15(18)12-17(20,11-14)10-9-13-5-3-2-4-6-13/h2-6,14-15,20H,7-8,11-12H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,7,8,14,13,21,10,15,6,9,3,11,5,4,12,2/E:(3,4)(5,6)(7,8)(11,12)(14,15)/rA:21COCONCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.526;  6.530,6.528,0.002,0.002,2.0,6.528,0.002
-JHDNCJGODWCHES_on_O00591_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_O14764_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P14867_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P18505_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P18507_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P28472_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P31644_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P34903_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P47869_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P47870_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P48169_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_P78334_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_Q16445_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHDNCJGODWCHES_on_Q99928_WT,Low,ChEMBL30,CHEMBL309854,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,JHDNCJGODWCHES,JHDNCJGODWCHES-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;t24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JHFMVNJTXHIDIX_on_P41594_WT,High,ChEMBL30,CHEMBL3694789,Cc1csc(NC(=O)c2cc(N(C)c3cncnc3)cc(F)c2)n1,JHFMVNJTXHIDIX,JHFMVNJTXHIDIX-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-10-8-24-16(20-10)21-15(23)11-3-12(17)5-13(4-11)22(2)14-6-18-9-19-7-14/h3-9H,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,13,23,10,20,15,19,3,17,2,9,21,11,14,7,5,22,16,18,24,6,12,8,4/E:(6,7)(18,19)/rA:24CCCSCNCOCCCNCCCNCNCCCFCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s12;s12;d14;s15;d16;s17;s14d18;d11;s20;s21;s9d21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-JHFZNZCHZVYZRR_on_Q05586_WT,Medium,ChEMBL30,CHEMBL114536,C(#Cc1ccc2[nH]nnc2c1)CCN1CCC(Cc2ccccc2)CC1,JHFZNZCHZVYZRR,JHFZNZCHZVYZRR-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-2-6-18(7-3-1)16-20-11-14-26(15-12-20)13-5-4-8-19-9-10-21-22(17-19)24-25-23-21/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,23,24,25)","""AuxInfo=1/1/N:22,21,23,1,12,20,24,2,4,5,16,25,13,15,26,18,11,19,3,17,6,10,7,9,8,14/E:(2,3)(6,7)(11,12)(14,15)/rA:26CCCCCCNNNCCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s6s9;s3d10;s1;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-JHGOGVWVJGHTTP_on_P41594_WT,High,ChEMBL30,CHEMBL1682802,CN(C)c1ncc(C=Cc2ccccc2)cn1,JHGOGVWVJGHTTP,JHGOGVWVJGHTTP-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-17(2)14-15-10-13(11-16-14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,11,15,9,8,6,16,10,7,4,5,17,2/E:(1,2)(4,5)(6,7)(10,11)(15,16)/rA:17CNCCNCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.250;  6.250,6.25,0.0,0.0,2.0,6.25,0.0
-JHKKCDOQENTIHK_on_O15399_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_O60391_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_Q05586_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_Q12879_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_Q13224_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHKKCDOQENTIHK_on_Q14957_WT,Low,ChEMBL30,CHEMBL168559,CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,JHKKCDOQENTIHK,JHKKCDOQENTIHK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)","""AuxInfo=1/1/N:1,17,16,18,15,6,12,7,11,20,19,2,13,14,5,9,8,4,10,3/rA:20CCONCCCNCNCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JHMUTZFKEQDSCJ_on_O00222_WT,Medium,ChEMBL30,CHEMBL420262,CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,JHMUTZFKEQDSCJ,JHMUTZFKEQDSCJ-UHFFFAOYSA-N,"InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,8,22,30,23,31,21,29,9,24,32,18,20,28,10,19,25,27,11,15,12,33,16,17,13,14,34,35,26/E:(9,10)(11,12)(13,14)(16,17)(19,20)(23,24)(31,32)(33,34)/rA:35CCCCCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s10s11;s15;s16;s16;s18;s19;d20;s21;d22;s23;s20d24;s25;s26;s19d27;s28;d29;s30;s27d31;s16;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-JHMUTZFKEQDSCJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL420262,CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,JHMUTZFKEQDSCJ,JHMUTZFKEQDSCJ-UHFFFAOYSA-N,"InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,8,22,30,23,31,21,29,9,24,32,18,20,28,10,19,25,27,11,15,12,33,16,17,13,14,34,35,26/E:(9,10)(11,12)(13,14)(16,17)(19,20)(23,24)(31,32)(33,34)/rA:35CCCCCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s10s11;s15;s16;s16;s18;s19;d20;s21;d22;s23;s20d24;s25;s26;s19d27;s28;d29;s30;s27d31;s16;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-JHMUTZFKEQDSCJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL420262,CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,JHMUTZFKEQDSCJ,JHMUTZFKEQDSCJ-UHFFFAOYSA-N,"InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,8,22,30,23,31,21,29,9,24,32,18,20,28,10,19,25,27,11,15,12,33,16,17,13,14,34,35,26/E:(9,10)(11,12)(13,14)(16,17)(19,20)(23,24)(31,32)(33,34)/rA:35CCCCCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s10s11;s15;s16;s16;s18;s19;d20;s21;d22;s23;s20d24;s25;s26;s19d27;s28;d29;s30;s27d31;s16;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-JHMUTZFKEQDSCJ_on_Q14831_WT,Medium,ChEMBL30,CHEMBL420262,CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,JHMUTZFKEQDSCJ,JHMUTZFKEQDSCJ-UHFFFAOYSA-N,"InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,8,22,30,23,31,21,29,9,24,32,18,20,28,10,19,25,27,11,15,12,33,16,17,13,14,34,35,26/E:(9,10)(11,12)(13,14)(16,17)(19,20)(23,24)(31,32)(33,34)/rA:35CCCCCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s10s11;s15;s16;s16;s18;s19;d20;s21;d22;s23;s20d24;s25;s26;s19d27;s28;d29;s30;s27d31;s16;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-JHMUTZFKEQDSCJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL420262,CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,JHMUTZFKEQDSCJ,JHMUTZFKEQDSCJ-UHFFFAOYSA-N,"InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,8,22,30,23,31,21,29,9,24,32,18,20,28,10,19,25,27,11,15,12,33,16,17,13,14,34,35,26/E:(9,10)(11,12)(13,14)(16,17)(19,20)(23,24)(31,32)(33,34)/rA:35CCCCCCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s10s11;s15;s16;s16;s18;s19;d20;s21;d22;s23;s20d24;s25;s26;s19d27;s28;d29;s30;s27d31;s16;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-JHNKNNAGQBQPDJ_on_P41594_WT,High,ChEMBL30,CHEMBL204445,CN1CC(=O)N=C1NC(=O)Nc1cccc(C#N)c1,JHNKNNAGQBQPDJ,JHNKNNAGQBQPDJ-UHFFFAOYSA-N,"InChI=1S/C12H11N5O2/c1-17-7-10(18)15-11(17)16-12(19)14-9-4-2-3-8(5-9)6-13/h2-5H,7H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,14,15,13,19,17,3,16,12,4,7,9,18,11,6,8,2,5,10/rA:19CNCCONCNCONCCCCCCNC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;t17;s12d16;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-JHQBXISEDNTZOP_on_O15399_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_O60391_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHQBXISEDNTZOP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1626710,N=C(N)NN=Cc1cccc([N+](=O)[O-])c1,JHQBXISEDNTZOP,JHQBXISEDNTZOP-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-2-1-3-7(4-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:9,8,10,15,6,7,11,2,1,3,5,4,12,13,14/E:(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCCN+OO-C/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s11;d12;s12;s7d11;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-JHTGACIQUYSELS_on_P41594_WT,High,ChEMBL30,CHEMBL3603921,Cc1cnc(-c2ncnc(-c3cc(C#N)cc(Cl)c3)c2)cc1,JHTGACIQUYSELS,JHTGACIQUYSELS-UHFFFAOYSA-N,"InChI=1S/C17H11ClN4/c1-11-2-3-15(20-9-11)17-7-16(21-10-22-17)13-4-12(8-19)5-14(18)6-13/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,22,21,12,16,19,20,14,3,8,2,13,11,17,5,10,6,18,15,4,9,7/rA:22CCCNCCNCNCCCCCNCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;t14;d13;s16;s17;s11d17;s6d10;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  8.300;  8.600,8.45,0.15,0.15,2.0,8.45,0.15
-JHVHEDNLONERHY_on_O15399_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_O60391_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_Q05586_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_Q12879_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_Q13224_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHVHEDNLONERHY_on_Q14957_WT,Low,ChEMBL30,CHEMBL41306,CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1,JHVHEDNLONERHY,JHVHEDNLONERHY-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:9,1,17,5,6,4,18,19,22,14,7,3,15,20,13,10,21,11,12,8,2,16/rA:22CSCCCCCNCCNNCCCSCCCCClC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;d10;s10;s12;d13;s14;s15;s16;d15;s18;s13d19;s20;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JHWZYTAQPNBXKZ_on_P41594_WT,High,ChEMBL30,CHEMBL2151468,Cc1cccc(-c2noc(C3CN(C(=O)c4ccc(F)cc4)C3)n2)c1,JHWZYTAQPNBXKZ,JHWZYTAQPNBXKZ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-3-2-4-14(9-12)17-21-18(25-22-17)15-10-23(11-15)19(24)13-5-7-16(20)8-6-13/h2-9,15H,10-11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,17,22,18,21,25,12,23,2,16,6,11,19,7,10,14,20,24,8,13,15,9/E:(5,6)(7,8)(10,11)/rA:25CCCCCCCNOCCCNCOCCCCFCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s19;s16d21;s11s13;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-JHXROAXMRGZRNX_on_P41594_WT,High,ChEMBL30,CHEMBL2022168,CN1CCC(=O)N=C1NC(=O)Nc1cccc(C#N)c1,JHXROAXMRGZRNX,JHXROAXMRGZRNX-UHFFFAOYSA-N,"InChI=1S/C13H13N5O2/c1-18-6-5-11(19)16-12(18)17-13(20)15-10-4-2-3-9(7-10)8-14/h2-4,7H,5-6H2,1H3,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:1,15,16,14,4,3,20,18,17,13,5,8,10,19,12,7,9,2,6,11/rA:20CNCCCONCNCONCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;t18;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194,PMID:22523618,2011.0,PMID:22523618,2011,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-JHXTWTGOXRMYJM_on_P18507_WT,Low,ChEMBL30,CHEMBL426860,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1,JHXTWTGOXRMYJM,JHXTWTGOXRMYJM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-8-14(22)9-7-13)17-10-25-27-20(30(17)28-21)15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,31,27,30,22,7,4,25,28,13,18,23,6,24,12,9,29,19,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCFCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s28;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-JHXTWTGOXRMYJM_on_P28472_WT,Low,ChEMBL30,CHEMBL426860,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1,JHXTWTGOXRMYJM,JHXTWTGOXRMYJM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-8-14(22)9-7-13)17-10-25-27-20(30(17)28-21)15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,31,27,30,22,7,4,25,28,13,18,23,6,24,12,9,29,19,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCFCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s28;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-JHXTWTGOXRMYJM_on_P34903_WT,Low,ChEMBL30,CHEMBL426860,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1,JHXTWTGOXRMYJM,JHXTWTGOXRMYJM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-8-14(22)9-7-13)17-10-25-27-20(30(17)28-21)15-4-2-3-5-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,31,27,30,22,7,4,25,28,13,18,23,6,24,12,9,29,19,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCFCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s28;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-JIDCVWGMEGLKHN_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799732,CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1,JIDCVWGMEGLKHN,JIDCVWGMEGLKHN-UHFFFAOYSA-N,"InChI=1S/C16H16FN3OS/c1-3-19(14-6-4-12(17)5-7-14)10-13-8-15(21)20-9-11(2)22-16(20)18-13/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,18,21,17,22,6,10,4,11,19,5,16,7,14,20,15,3,9,8,13/E:(4,5)(6,7)/rA:22CCNCCCCONCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-JIDCVWGMEGLKHN_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799732,CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1,JIDCVWGMEGLKHN,JIDCVWGMEGLKHN-UHFFFAOYSA-N,"InChI=1S/C16H16FN3OS/c1-3-19(14-6-4-12(17)5-7-14)10-13-8-15(21)20-9-11(2)22-16(20)18-13/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,18,21,17,22,6,10,4,11,19,5,16,7,14,20,15,3,9,8,13/E:(4,5)(6,7)/rA:22CCNCCCCONCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-JIKNBXAFNJCOIX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2349544;71579930,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(N(C)C)cc3)c2C)ccc1,JIKNBXAFNJCOIX,JIKNBXAFNJCOIX-UHFFFAOYSA-N,"InChI=1S/C20H23N5O/c1-13-7-6-8-17(21-13)22-20(26)18-14(2)19(25(5)23-18)15-9-11-16(12-10-15)24(3)4/h6-12H,1-5H3,(H,21,22,26)","""AuxInfo=1/1/N:1,23,18,19,11,25,26,24,14,21,15,20,2,22,13,16,4,8,12,6,3,5,9,17,10,7/E:(3,4)(9,10)(11,12)/rA:26CCNCNCOCNNCCCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s17;s17;s16;s13d20;s8d12;s22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953;PubChemAID:738966,PMID:23434029,2013.0,PMID:23434029;PubChemAID:738966,2013,1;0,0,0,0,0;1,,=,  6.190;  6.190,6.19,0.0,0.0,2.0,6.19,0.0
-JISKKOQSQAJIHM_on_O00591_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_O14764_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P14867_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P18505_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P18507_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P28472_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P31644_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P34903_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P47869_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P47870_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P48169_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_P78334_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_Q16445_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JISKKOQSQAJIHM_on_Q99928_WT,Low,ChEMBL30,CHEMBL292622,CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N,JISKKOQSQAJIHM,JISKKOQSQAJIHM-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-19-11-8-6-5-7-10(11)13-14(17)12(16(20)21-3)9(2)18-15(13)19/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,14,19,2,7,8,6,9,13,5,4,15,10,20,11,16,21,12,3,17,18/rA:21CCNCCCCCCCCNCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s5;s3d10;s11;d12;s13;s13;s15;d16;s16;s18;s10d15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-JIVBDCLYCPSGFH_on_Q14416_WT,High,ChEMBL30,CHEMBL1096318,CCCCCCC1CN(c2ccc(O)cc2)C(=O)O1,JIVBDCLYCPSGFH,JIVBDCLYCPSGFH-UHFFFAOYSA-N,"InChI=1S/C15H21NO3/c1-2-3-4-5-6-14-11-16(15(18)19-14)12-7-9-13(17)10-8-12/h7-10,14,17H,2-6,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,11,16,12,15,8,10,13,7,17,9,14,18,19/E:(7,8)(9,10)/rA:19CCCCCCCCNCCCCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-JIVGBDBCGKVLCY_on_P14867_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-JIVGBDBCGKVLCY_on_P18507_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770;  6.510;  6.190;  7.380,6.712999999999999,0.43700000000000006,0.252,4.0,6.64,0.29
-JIVGBDBCGKVLCY_on_P28472_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510;  6.190;  6.770;  7.380,6.712000000000001,0.43700000000000006,0.252,4.0,6.64,0.29
-JIVGBDBCGKVLCY_on_P31644_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-JIVGBDBCGKVLCY_on_P34903_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JIVGBDBCGKVLCY_on_P47869_WT,Low,ChEMBL30,CHEMBL179545,OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,JIVGBDBCGKVLCY,JIVGBDBCGKVLCY-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c25-11-4-12-26-20-17-14-9-7-13(8-10-14)16(17)19-22-21-18(24(19)23-20)15-5-2-1-3-6-15/h1-3,5-6,13-14,25H,4,7-12H2","""AuxInfo=1/0/N:13,12,14,3,11,15,23,25,22,26,2,4,24,21,10,19,20,9,18,6,16,17,7,8,1,5/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;s21;s22;s19s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-JJBICBPVIBACLZ_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779870;CHEMBL1779870;53248877,Cc1ccccc1C#Cc1ccc2C(=O)N(C3CCCC3)CCc2n1,JJBICBPVIBACLZ,JJBICBPVIBACLZ-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c1-16-6-2-3-7-17(16)10-11-18-12-13-20-21(23-18)14-15-24(22(20)25)19-8-4-5-9-19/h2-3,6-7,12-13,19H,4-5,8-9,14-15H2,1H3","""AuxInfo=1/0/N:1,4,5,19,20,3,6,18,21,8,9,11,12,23,22,2,7,10,17,13,24,14,25,16,15/E:(4,5)(8,9)/rA:25CCCCCCCCCCCCCCONCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;d12;s13;d14;s14;s16;s17;s18;s19;s17s20;s16;s22;s13s23;s10d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598492,2011;2011;2012,0,1;0;0,0,0;1;0,0;0;1,,=,  6.620;  4.730;  6.622,5.9910000000000005,0.8909999999999999,0.63,3.0,6.62,0.002
-JJBRQDXGLZTCID_on_P41594_WT,Medium,ChEMBL30,CHEMBL3908692,O=C1C2CCCC2N1c1ccc(C#Cc2cccnc2)cn1,JJBRQDXGLZTCID,JJBRQDXGLZTCID-UHFFFAOYSA-N,"InChI=1S/C18H15N3O/c22-18-15-4-1-5-16(15)21(18)17-9-8-14(12-20-17)7-6-13-3-2-10-19-11-13/h2-3,8-12,15-16H,1,4-5H2","""AuxInfo=1/0/N:5,17,16,4,6,14,13,11,10,18,20,21,15,12,3,7,9,2,19,22,8,1/rA:22OCCCCCCNCCCCCCCCCCNCCN/rB:d1;s2;s3;s4;s5;s3s6;s2s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-JJCZFPKMKVMNRZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3900236,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ncccc43)cc2n1,JJCZFPKMKVMNRZ,JJCZFPKMKVMNRZ-UHFFFAOYSA-N,"InChI=1S/C23H16FN5O/c24-16-6-4-15(5-7-16)18-11-20(22(25)30)28-19-10-14(3-8-17(18)19)12-29-13-27-23-21(29)2-1-9-26-23/h1-11,13H,12H2,(H2,25,30)","""AuxInfo=1/1/N:25,26,16,8,13,9,12,15,24,28,5,18,20,17,7,10,14,6,29,4,27,2,22,11,1,23,21,30,19,3/E:(4,5)(6,7)/rA:30NCOCCCCCCCFCCCCCCCNCNCNCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s19s22d26;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-JJDOSDBXSABYSI_on_P14867_WT,High,ChEMBL30,CHEMBL3659676,CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2F)c1,JJDOSDBXSABYSI,JJDOSDBXSABYSI-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O/c1-20(2,26)13-3-4-19-18(9-13)24-12-25(19)14-5-8-23-17(10-14)15-6-7-22-11-16(15)21/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,6,7,15,20,21,16,10,26,23,12,5,14,19,24,18,9,8,2,25,22,17,11,13,4/E:(1,2)/rA:26CCCOCCCCCCNCNCCCNCCCCNCCFC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s5d9;s9;d11;s8s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s24;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3705279,PATENT:US8492408B2,2013.0,PATENT:US8492408B2,2013,1,0,0,0,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-JJEXWPHPFZLTCU_on_Q05586_WT,Medium,ChEMBL30,CHEMBL117260,Oc1nc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)[nH]1,JJEXWPHPFZLTCU,JJEXWPHPFZLTCU-UHFFFAOYSA-N,"InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)","""AuxInfo=1/1/N:20,19,21,10,18,22,9,7,6,14,23,11,13,24,16,25,17,8,15,5,4,2,26,3,12,1/E:(2,3)(5,6)(10,11)(13,14)/rA:26OCNCCCCCCCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  8.280;  4.460,6.37,1.91,1.91,2.0,6.37,1.91
-JJFHKZDZNZKXCY_on_P41594_WT,High,ChEMBL30,CHEMBL1630071,CC(OC(=O)Nc1ccccc1)c1cn2ncnc2s1,JJFHKZDZNZKXCY,JJFHKZDZNZKXCY-UHFFFAOYSA-N,"InChI=1S/C13H12N4O2S/c1-9(11-7-17-12(20-11)14-8-15-17)19-13(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)","""AuxInfo=1/1/N:1,10,9,11,8,12,14,17,2,7,13,19,4,18,16,6,15,5,3,20/E:(3,4)(5,6)/rA:20CCOCONCCCCCCCCNNCNCS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s2;d13;s14;s15;d16;s17;s15d18;s13s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JJGMNYOOQJMINL_on_P18507_WT,Low,ChEMBL30,CHEMBL208687,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1,JJGMNYOOQJMINL,JJGMNYOOQJMINL-UHFFFAOYSA-N,"InChI=1S/C22H15FN8O/c1-30-19(25-13-27-30)12-32-22-20(15-6-4-5-14(9-15)10-24)18-11-26-28-21(31(18)29-22)16-7-2-3-8-17(16)23/h2-9,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,30,22,7,4,29,25,13,18,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;t30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-JJGMNYOOQJMINL_on_P28472_WT,Low,ChEMBL30,CHEMBL208687,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1,JJGMNYOOQJMINL,JJGMNYOOQJMINL-UHFFFAOYSA-N,"InChI=1S/C22H15FN8O/c1-30-19(25-13-27-30)12-32-22-20(15-6-4-5-14(9-15)10-24)18-11-26-28-21(31(18)29-22)16-7-2-3-8-17(16)23/h2-9,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,30,22,7,4,29,25,13,18,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;t30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-JJGMNYOOQJMINL_on_P34903_WT,Low,ChEMBL30,CHEMBL208687,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1,JJGMNYOOQJMINL,JJGMNYOOQJMINL-UHFFFAOYSA-N,"InChI=1S/C22H15FN8O/c1-30-19(25-13-27-30)12-32-22-20(15-6-4-5-14(9-15)10-24)18-11-26-28-21(31(18)29-22)16-7-2-3-8-17(16)23/h2-9,11,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,30,22,7,4,29,25,13,18,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;t30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-JJGVVTUZGGAWOK_on_P41594_WT,High,ChEMBL30,CHEMBL3600423,CCCC(NC(=O)c1ncco1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,JJGVVTUZGGAWOK,JJGVVTUZGGAWOK-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5O2/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,21,20,10,11,14,27,25,22,13,19,15,4,17,6,8,16,9,24,26,18,5,7,12/rA:27CCCCNCOCNCCOCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-JJJUTEJMSCWLKG_on_Q14416_WT,High,ChEMBL30,CHEMBL1774108,Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccn2,JJJUTEJMSCWLKG,JJJUTEJMSCWLKG-UHFFFAOYSA-N,"InChI=1S/C20H21F3N4/c1-26-17-3-2-10-24-19(17)25-18(26)13-27-11-8-15(9-12-27)14-4-6-16(7-5-14)20(21,22)23/h2-7,10,15H,8-9,11-13H2,1H3","""AuxInfo=1/0/N:1,25,24,10,18,11,17,7,19,26,6,20,4,9,8,12,23,3,22,13,14,15,16,27,21,2,5/E:(4,5)(6,7)(8,9)(11,12)(21,22,23)/rA:27CNCCNCCCCCCCCFFFCCCCNCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1776061,PMID:21366332,2011.0,PMID:21366332,2011,0,1,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-JJKBVRDINIELEO_on_P41594_WT,High,ChEMBL30,CHEMBL3601901,CCCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,JJKBVRDINIELEO,JJKBVRDINIELEO-UHFFFAOYSA-N,"InChI=1S/C20H22ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h6-12,17H,3-5H2,1-2H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,24,2,3,4,22,21,11,12,15,28,26,23,14,20,16,5,18,7,9,17,10,25,27,19,6,8,13/rA:28CCCCCNCOCNCCSCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s5;d14;s15;s16;d16;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s14d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-JJKQHLZXMRDJOP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108547,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1C,JJKQHLZXMRDJOP,JJKQHLZXMRDJOP-UHFFFAOYSA-N,"InChI=1S/C23H26FN3O2/c1-14-5-6-17(11-21(14)28-4)23-26-22(18-9-15(2)25-19(10-18)12-24)20-7-8-29-16(3)13-27(20)23/h5-6,9-11,16H,7-8,12-13H2,1-4H3","""AuxInfo=1/0/N:29,12,23,1,27,26,19,20,10,17,4,15,24,28,11,22,5,9,14,18,3,8,6,16,13,7,25,2,21/rA:29COCCCCNCCCCCNCCFCCCCOCCCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s22;s6s18s24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-JJRPUALDNLESPL_on_P41594_WT,High,ChEMBL30,CHEMBL2403684,O=C(C1CC12CCC2)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,JJRPUALDNLESPL,JJRPUALDNLESPL-UHFFFAOYSA-N,"InChI=1S/C21H20N2OS/c24-20(16-13-21(16)10-4-11-21)23-12-9-17-18(14-23)25-19(22-17)8-7-15-5-2-1-3-6-15/h1-3,5-6,16H,4,9-14H2","""AuxInfo=1/0/N:22,21,23,7,20,24,18,17,11,6,8,10,4,14,19,3,12,13,16,2,5,25,9,1,15/E:(2,3)(5,6)(10,11)/rA:25OCCCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s3s4;s5;s6;s5s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-JJRWFNDSSULAFZ_on_P41594_WT,High,ChEMBL30,CHEMBL373045,CCOc1cc(Br)cnc1Nc1nc(C)ccc1,JJRWFNDSSULAFZ,JJRWFNDSSULAFZ-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,15,2,17,16,18,5,8,14,6,4,12,10,7,9,13,11,3/rA:18CCOCCCBrCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d6;s8;s4d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-JJSGQCLDNBSOPP_on_P41594_WT,High,ChEMBL30,CHEMBL3671838;CHEMBL4107693;CHEMBL3671834;CHEMBL4107693;CHEMBL3671838;CHEMBL3671834,Cc1cncc(C(=O)NC23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)n1,JJSGQCLDNBSOPP,JJSGQCLDNBSOPP-UHFFFAOYSA-N,"InChI=1S/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)","""AuxInfo=1/1/N:1,20,12,19,21,13,11,25,26,24,3,5,27,2,18,22,6,16,7,14,10,23,4,28,15,9,17,8/rA:28CCCNCCCONCCCCCNCOCCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s14;s10s25;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706069;CHEMBL3706069;CHEMBL3706069;CHEMBL3706070;CHEMBL3706070;CHEMBL3706070,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,1;1;1;0;0;0,0,0,0;0;0;1;1;1,0,,=,  8.410;  6.870;  8.050;  5.920;  7.460;  7.110,7.303,0.8109999999999999,0.363,6.0,7.285,0.59
-JJUFSGIIQIFBBK_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682806;CHEMBL1682806;53325005,Cn1cnc2c1ccc(C#Cc1ccccc1)c2,JJUFSGIIQIFBBK,JJUFSGIIQIFBBK-UHFFFAOYSA-N,"InChI=1S/C16H12N2/c1-18-12-17-15-11-14(9-10-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,8,7,18,3,12,9,5,6,4,2/E:(3,4)(5,6)/rA:18CNCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PubChemAID:579858,2011,0,1;1;0,0,0,0;0;1,,=,  7.430;  7.430;  7.430,7.43,0.0,0.0,3.0,7.43,0.0
-JJWQVKYEWNXSIB_on_P34903_WT,Medium,ChEMBL30,CHEMBL147217,CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,JJWQVKYEWNXSIB,JJWQVKYEWNXSIB-UHFFFAOYSA-N,"InChI=1S/C17H17FN4O/c1-2-21-8-7-14-12(9-21)16-19-15(10-22(16)17(23)20-14)11-5-3-4-6-13(11)18/h3-6,10H,2,7-9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,2,17,16,18,15,5,4,8,19,12,7,13,6,11,9,21,14,10,23,3,20,22/rA:23CCNCCCCCCNCCCFCCCCCNCON/rB:s1;s2;s3;s4;s5;d6;s3s7;s7;d9;s10;s11;d12;s13;s13;d15;s16;s12d17;d11;s9s19;s20;s21;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-JJXUQTMBGGJHEG_on_P14867_WT,Low,ChEMBL30,CHEMBL4078922,Cc1ccnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,JJXUQTMBGGJHEG,JJXUQTMBGGJHEG-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-26-27(16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,3,22,27,4,18,7,2,17,24,25,14,13,10,8,19,28,5,6,9,21/rA:29CCCCNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JJXUQTMBGGJHEG_on_P18507_WT,Low,ChEMBL30,CHEMBL4078922,Cc1ccnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,JJXUQTMBGGJHEG,JJXUQTMBGGJHEG-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-26-27(16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,3,22,27,4,18,7,2,17,24,25,14,13,10,8,19,28,5,6,9,21/rA:29CCCCNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JJXUQTMBGGJHEG_on_P47870_WT,Low,ChEMBL30,CHEMBL4078922,Cc1ccnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,JJXUQTMBGGJHEG,JJXUQTMBGGJHEG-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-10-13-26-27(16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,20,29,16,15,12,11,23,26,3,22,27,4,18,7,2,17,24,25,14,13,10,8,19,28,5,6,9,21/rA:29CCCCNNCCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s22;s17s23;s14s24;s25;s26;s10s13s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JKAFRUKUXSDLMG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3935314,CC(C)c1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1,JKAFRUKUXSDLMG,JKAFRUKUXSDLMG-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O3S2/c1-11(2)16-18(29(26,27)10-12-13(20)6-5-7-14(12)21)28-19(23-16)24-17(25)15-8-3-4-9-22-15/h3-9,11H,10H2,1-2H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,25,26,14,13,15,24,27,9,2,10,11,16,23,4,21,5,19,12,17,28,29,20,22,7,8,18,6/E:(1,2)(6,7)(13,14)(20,21)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCFCCCCFSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;s11;d13;s14;s10d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-JKCPXTTYNRGYQQ_on_P14867_WT,Low,ChEMBL30,CHEMBL458319,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OCC3CC3)c12,JKCPXTTYNRGYQQ,JKCPXTTYNRGYQQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,21,22,8,7,11,19,13,20,9,5,6,15,23,3,16,10,14,2,12,4,17,18/E:(2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s20;s20s21;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-JKCPXTTYNRGYQQ_on_P18507_WT,Low,ChEMBL30,CHEMBL458319,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OCC3CC3)c12,JKCPXTTYNRGYQQ,JKCPXTTYNRGYQQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,21,22,8,7,11,19,13,20,9,5,6,15,23,3,16,10,14,2,12,4,17,18/E:(2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s20;s20s21;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-JKCPXTTYNRGYQQ_on_P28472_WT,Low,ChEMBL30,CHEMBL458319,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OCC3CC3)c12,JKCPXTTYNRGYQQ,JKCPXTTYNRGYQQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,21,22,8,7,11,19,13,20,9,5,6,15,23,3,16,10,14,2,12,4,17,18/E:(2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s20;s20s21;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-JKCPXTTYNRGYQQ_on_P31644_WT,Medium,ChEMBL30,CHEMBL458319,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OCC3CC3)c12,JKCPXTTYNRGYQQ,JKCPXTTYNRGYQQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3","""AuxInfo=1/0/N:1,21,22,8,7,11,19,13,20,9,5,6,15,23,3,16,10,14,2,12,4,17,18/E:(2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s20;s20s21;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-JKEBAKOBVOSNMX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2426604;53246975;CHEMBL2426604,O=C1c2c(CCN1c1c(F)cc(F)cc1)nc(COc1ccccc1)s2,JKEBAKOBVOSNMX,JKEBAKOBVOSNMX-UHFFFAOYSA-N,"InChI=1S/C19H14F2N2O2S/c20-12-6-7-16(14(21)10-12)23-9-8-15-18(19(23)24)26-17(22-15)11-25-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:23,22,24,21,25,14,15,5,6,11,18,12,20,9,4,8,17,3,2,13,10,16,7,1,19,26/E:(2,3)(4,5)/rA:26OCCCCCNCCFCCFCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s4;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s3s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;PubChemAID:770257;CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773;PubChemAID:770257;PMID:23947773,2013;2014;2013,0,1;0;1,0,0,0;1;0,,=,  7.180;  7.180;  7.180,7.18,0.0,0.0,3.0,7.18,0.0
-JKHNIBFHWMXMRO_on_P41594_WT,High,ChEMBL30,CHEMBL411499,Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cscc2)n1,JKHNIBFHWMXMRO,JKHNIBFHWMXMRO-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-11-22-12-16(19(23)21-5-7-24-8-6-21)10-18(22)17(20-14)3-2-15-4-9-25-13-15/h4,9-13H,5-8H2,1H3","""AuxInfo=1/0/N:1,19,18,24,10,14,11,13,23,15,3,5,21,2,20,6,17,16,7,25,9,4,8,12,22/E:(5,6)(7,8)/rA:25CCCNCCCONCCOCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s6;s4d15;s16;s17;t18;s19;d20;s21;s22;s20d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-JKIPXTMWVLJCSE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3918699,Nc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1,JKIPXTMWVLJCSE,JKIPXTMWVLJCSE-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c21-15-8-6-14(7-9-15)20(26)24-10-11-25-18(12-24)19(22)17(23-25)13-27-16-4-2-1-3-5-16/h1-9H,10-13,22H2","""AuxInfo=1/0/N:25,24,26,23,27,9,14,10,13,15,16,4,20,8,11,22,19,3,2,6,12,1,18,5,17,7,21/E:(2,3)(4,5)(6,7)(8,9)/rA:27NCCCNCOCCCCFCCCCNNCCOCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s3s16;s17;s2d18;s19;s20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-JKNMYUFQPZICNE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109232,CC1CN(Cc2ccc3c(-c4cnc(C(F)F)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,JKNMYUFQPZICNE,JKNMYUFQPZICNE-UHFFFAOYSA-N,"InChI=1S/C21H19F5N4O2S/c1-10-7-30(9-17(32-10)21(24,25)26)8-11-2-3-12-13(16-6-28-20(33-16)18(22)23)5-15(19(27)31)29-14(12)4-11/h2-6,10,17-18H,7-9H2,1H3,(H2,27,31)","""AuxInfo=1/1/N:1,7,8,26,19,12,3,5,27,2,6,9,10,25,20,11,28,15,21,14,29,16,17,30,31,32,22,13,24,4,23,33,18/E:(22,23)(24,25,26)/rA:33CCCNCCCCCCCCNCCFFSCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s15;s11s14;d10;s19;s20;s21;d21;d20;s9s24;s6d25;s4;s27;s28;s29;s29;s29;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-JKQZJXLBDNOXFC_on_P41594_WT,Low,ChEMBL30,CHEMBL1784060,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccncc2)c1=O,JKQZJXLBDNOXFC,JKQZJXLBDNOXFC-UHFFFAOYSA-N,"InChI=1S/C17H14N6OS/c1-10(2)7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-3-5-18-6-4-11/h3-6,8-9H,1,7H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,3,19,23,20,22,4,10,16,2,18,7,14,13,6,8,24,21,5,11,9,15,17,25,12/E:(3,4)(5,6)/rA:25CCCCNCCCNCNSCCNCNCCCNCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-JKQZJXLBDNOXFC_on_Q13255_WT,High,ChEMBL30,CHEMBL1784060,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccncc2)c1=O,JKQZJXLBDNOXFC,JKQZJXLBDNOXFC-UHFFFAOYSA-N,"InChI=1S/C17H14N6OS/c1-10(2)7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-3-5-18-6-4-11/h3-6,8-9H,1,7H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,3,19,23,20,22,4,10,16,2,18,7,14,13,6,8,24,21,5,11,9,15,17,25,12/E:(3,4)(5,6)/rA:25CCCCNCCCNCNSCCNCNCCCNCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-JKRGLRRAXCSVNF_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094430,CC(=O)Nc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,JKRGLRRAXCSVNF,JKRGLRRAXCSVNF-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4/c1-13(21)19-14-7-9-16(10-8-14)23-12-17-11-20(18(22)24-17)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,17,16,18,15,19,6,24,7,23,12,10,2,5,14,8,11,20,4,13,3,21,9,22/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCONCCCCOCCCNCCCCCCCOOCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s11s20;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-JKTIXUXRNOXCFC_on_P41594_WT,High,ChEMBL30,CHEMBL2335279,COc1c2ccc(C#Cc3ccccc3)nc2ccc1,JKTIXUXRNOXCFC,JKTIXUXRNOXCFC-UHFFFAOYSA-N,"InChI=1S/C18H13NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,1H3","""AuxInfo=1/0/N:1,13,12,14,19,11,15,18,20,9,8,6,5,10,7,4,17,3,16,2/E:(3,4)(6,7)/rA:20COCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s4s16;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2345731,PMID:23333207,2013.0,PMID:23333207,2013,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-JKTZNPDAWNKJAG_on_Q14416_WT,High,ChEMBL30,CHEMBL2029808,Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)c1,JKTZNPDAWNKJAG,JKTZNPDAWNKJAG-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-15-12-19(8-10-24-15)27-18-6-4-17(5-7-18)20-9-11-25(14-16-2-3-16)22(26)21(20)13-23/h4-12,16H,2-3,14H2,1H3","""AuxInfo=1/0/N:1,21,22,10,25,9,26,5,24,4,23,27,14,19,2,20,11,8,6,12,13,16,15,3,18,17,7/E:(2,3)(4,5)(6,7)/rA:27CCNCCCOCCCCCCCNCONCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s20s21;s18;s12d23;s11;s8d25;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-JKUFHJRGOOVPMG_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2431411;73346313,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(C3CCCCC3)n2)c1,JKUFHJRGOOVPMG,JKUFHJRGOOVPMG-UHFFFAOYSA-N,"InChI=1S/C27H32FN5O/c1-20-17-22(10-11-23(20)28)24-18-33(27(30-24)21-7-3-2-4-8-21)19-26(34)32-15-13-31(14-16-32)25-9-5-6-12-29-25/h5-6,9-12,17-18,21H,2-4,7-8,13-16,19H2,1H3","""AuxInfo=1/0/N:1,30,29,31,20,21,28,32,19,6,5,22,16,24,15,25,34,9,11,2,27,7,3,8,18,12,26,4,23,33,17,14,10,13/E:(3,4)(7,8)(13,14)(15,16)/rA:34CCCFCCCCCNCCONCCNCCCCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;s27;s28;s29;s30;s27s31;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294;PubChemAID:772427,PMID:24900753,2013.0,PMID:24900753;PubChemAID:772427,2013;2014,0,1;0,0,0,0;1,,=,  6.140;  6.144,6.142,0.002,0.002,2.0,6.142,0.002
-JKWXAXMOLXCXJS_on_O00591_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_O14764_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_P14867_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075;CHEMBL822162,PMID:9435905,1997.0,PMID:9435905;PMID:9651158,1997;1998,1;0,0,0,0;1,0,,=,  6.330;  6.610,6.47,0.14,0.14,2.0,6.47,0.14
-JKWXAXMOLXCXJS_on_P18505_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_P18507_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL824294;CHEMBL822162;CHEMBL823761,PMID:9435905,1997.0,PMID:9435905;PMID:9651158;PMID:9651158;PMID:9651158,1997;1998;1998;1998,1;0;0;0,0,0,0;1;1;1,0,,=,  6.330;  6.090;  6.610;  6.060,6.272,0.221,0.128,4.0,6.21,0.135
-JKWXAXMOLXCXJS_on_P28472_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL822162;CHEMBL650075;CHEMBL823761,PMID:9435905,1997.0,PMID:9651158;PMID:9651158;PMID:9435905;PMID:9651158,1998;1998;1997;1998,0;0;1;0,0,0,1;1;0;1,0,,=,  6.090;  6.610;  6.330;  6.060,6.272,0.221,0.128,4.0,6.21,0.135
-JKWXAXMOLXCXJS_on_P31644_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_P34903_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL823761,PMID:9435905,1997.0,PMID:9435905;PMID:9651158,1997;1998,1;0,0,0,0;1,0,,=,  6.330;  6.060,6.195,0.135,0.135,2.0,6.195,0.135
-JKWXAXMOLXCXJS_on_P47869_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL650075,PMID:9435905,1997.0,PMID:9651158;PMID:9435905,1998;1997,0;1,0,0,1;0,0,,=,  6.090;  6.330,6.21,0.12,0.12,2.0,6.21,0.12
-JKWXAXMOLXCXJS_on_P47870_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_P48169_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_P78334_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_Q16445_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JKWXAXMOLXCXJS_on_Q99928_WT,Low,ChEMBL30,CHEMBL86231,CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1,JKWXAXMOLXCXJS,JKWXAXMOLXCXJS-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-3-10(2)18-15-8-12-11-6-4-5-7-13(11)17-14(12)9-16-15/h4-10,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,4,2,14,15,13,16,18,8,3,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-JLAXNBIOXSQCMT_on_P41594_WT,Low,ChEMBL30,CHEMBL190084,Cc1c(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cccc1,JLAXNBIOXSQCMT,JLAXNBIOXSQCMT-UHFFFAOYSA-N,"InChI=1S/C23H19N3O/c1-17-10-8-9-15-20(17)23(27)24-22-16-21(18-11-4-2-5-12-18)25-26(22)19-13-6-3-7-14-19/h2-16H,1H3,(H,24,27)","""AuxInfo=1/1/N:1,13,21,12,14,20,22,26,25,27,11,15,19,23,24,8,2,10,18,3,9,7,4,6,16,17,5/E:(4,5)(6,7)(11,12)(13,14)/rA:27CCCCONCCCCCCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s7s16;s17;d18;s19;d20;s21;s18d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JLCBYDSLJHLQQB_on_P14867_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-JLCBYDSLJHLQQB_on_P18507_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.110;  9.310;  9.120,8.847000000000001,0.527,0.37200000000000005,3.0,9.12,0.19
-JLCBYDSLJHLQQB_on_P28472_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.110;  9.310;  9.120,8.847000000000001,0.527,0.37200000000000005,3.0,9.12,0.19
-JLCBYDSLJHLQQB_on_P31644_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-JLCBYDSLJHLQQB_on_P34903_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.120,9.12,0.0,0.0,1.0,9.12,0.0
-JLCBYDSLJHLQQB_on_Q16445_WT,Low,ChEMBL30,CHEMBL170808,CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2,JLCBYDSLJHLQQB,JLCBYDSLJHLQQB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O5/c1-18-13-7-6-10(19(22)23)8-12(13)16(17-9-15(18)21)11-4-2-3-5-14(11)20(24)25/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,20,19,25,5,21,8,17,18,9,3,7,6,2,22,10,4,23,24,11,12/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25CNCOCNCCCN+OO-CCCCCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s10;s9;d13;s14;s8d15;s7;s2d17;s18;d19;s20;s21;d22;s22;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JLDMFKSCKGMLCQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3899445,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(F)F)c3)n2)cc(C)n1,JLDMFKSCKGMLCQ,JLDMFKSCKGMLCQ-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-9-16(10-14(2)26-13)21-18-5-7-29-8-6-28(18)22(27-21)15-3-4-17(23)19(11-15)30-12-20(24)25/h3-4,9-11,20H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,21,2,28,14,4,17,6,19,22,5,13,18,23,24,30,26,12,9,20/E:(1,2)(9,10)(13,14)(24,25)/rA:30CCCCCCCCOCCNCCCCCFCOCCFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s22;s14d19;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-JLKKNYCTRPWQIO_on_Q13255_WT,High,ChEMBL30,CHEMBL3759171,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)ncs1,JLKKNYCTRPWQIO,JLKKNYCTRPWQIO-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O3S/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(12(20)7-10)24-18(26)11-3-2-4-13(21)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,23,18,10,15,3,4,12,16,24,19,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCFCCCCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.730;  6.730,6.73,0.0,0.0,2.0,6.73,0.0
-JLKKNYCTRPWQIO_on_Q14833_WT,High,ChEMBL30,CHEMBL3759171,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)ncs1,JLKKNYCTRPWQIO,JLKKNYCTRPWQIO-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O3S/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(12(20)7-10)24-18(26)11-3-2-4-13(21)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,23,18,10,15,3,4,12,16,24,19,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCFCCCCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-JLQOWRMYBLUFKX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3901396,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,JLQOWRMYBLUFKX,JLQOWRMYBLUFKX-UHFFFAOYSA-N,"InChI=1S/C17H10F5N3O3S2/c18-10-4-3-5-11(19)9(10)8-30(27,28)15-13(17(20,21)22)24-16(29-15)25-14(26)12-6-1-2-7-23-12/h1-7H,8H2,(H,24,25,26)","""AuxInfo=1/1/N:27,28,20,19,21,26,29,15,16,17,22,25,6,2,11,4,7,18,23,8,9,10,30,5,3,1,13,14,24,12/E:(4,5)(10,11)(18,19)(20,21,22)(27,28)/CRV:30.6/rA:30OCNCNCCFFFCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;s17;d19;s20;s16d21;s22;s4s11;s2;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-JLSLJWLAEGRSQQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3969927,O=C1OC2(CC2)CN1c1ccc(C#Cc2ccccc2)cn1,JLSLJWLAEGRSQQ,JLSLJWLAEGRSQQ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17-20(13-18(22-17)10-11-18)16-9-8-15(12-19-16)7-6-14-4-2-1-3-5-14/h1-5,8-9,12H,10-11,13H2","""AuxInfo=1/0/N:18,17,19,16,20,14,13,11,10,5,6,21,7,15,12,9,2,4,22,8,1,3/E:(2,3)(4,5)(10,11)/rA:22OCOCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s4s5;s4;s2s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-JLUVQVIPNFQNDC_on_P41594_WT,High,ChEMBL30,CHEMBL2069385,O=C1CC(c2nc(-c3ccc(F)cc3)no2)CN1c1ccc(Cl)c(Cl)c1,JLUVQVIPNFQNDC,JLUVQVIPNFQNDC-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2FN3O2/c19-14-6-5-13(8-15(14)20)24-9-11(7-16(24)25)18-22-17(23-26-18)10-1-3-12(21)4-2-10/h1-6,8,11H,7,9H2","""AuxInfo=1/0/N:9,14,10,13,20,21,3,26,17,8,4,11,19,22,24,2,7,5,23,25,12,6,15,18,1,16/E:(1,2)(3,4)/rA:26OCCCCNCCCCCFCCNOCNCCCCClCClC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JLVXZYSVVWOWNA_on_O15399_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_O60391_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_Q05586_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_Q12879_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_Q13224_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLVXZYSVVWOWNA_on_Q14957_WT,Low,ChEMBL30,CHEMBL317790,Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1,JLVXZYSVVWOWNA,JLVXZYSVVWOWNA-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-6(10-12-13-14)5-3(7(15)11-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,11,15)(H,16,17)","""AuxInfo=1/1/N:1,9,8,10,7,6,15,12,11,5,17,4,3,2,16,13,14,18/E:(16,17)/rA:18CNNNNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JLWGYGOAOPIKAB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787498,Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)occ1,JLWGYGOAOPIKAB,JLWGYGOAOPIKAB-UHFFFAOYSA-N,"InChI=1S/C20H13Cl3N2O3/c1-10-7-8-28-18(10)19(26)24-14-5-6-15(17(23)16(14)22)25-9-12-11(20(25)27)3-2-4-13(12)21/h2-8H,9H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,18,17,19,25,24,28,27,14,2,16,15,20,7,12,8,10,3,4,22,21,9,11,6,13,5,23,26/rA:28CCCCONCCClCClCNCCCCCCCClCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;s10;d10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s13s16;d22;s12;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-JLWXLBYWIQZISW_on_Q13224_WT,Low,ChEMBL30,CHEMBL158682,N=C(NCc1cc(Cl)ccc1)c1c(F)cccc1,JLWXLBYWIQZISW,JLWXLBYWIQZISW-UHFFFAOYSA-N,"InChI=1S/C14H12ClFN2/c15-11-5-3-4-10(8-11)9-18-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:17,16,10,11,9,18,15,6,4,5,7,12,13,2,8,14,1,3/rA:18NCNCCCCClCCCCCFCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-JLXDMVOOFIOASJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3933549,Cc1cc(C#Cc2ccccc2)cnc1N1CC(C)(C)CC1=O,JLXDMVOOFIOASJ,JLXDMVOOFIOASJ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-15-11-17(10-9-16-7-5-4-6-8-16)13-21-19(15)22-14-20(2,3)12-18(22)23/h4-8,11,13H,12,14H2,1-3H3","""AuxInfo=1/0/N:1,19,20,10,9,11,8,12,6,5,3,21,13,17,2,7,4,22,15,18,14,16,23/E:(2,3)(5,6)(7,8)/rA:23CCCCCCCCCCCCCNCNCCCCCCO/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;s15;s16;s17;s18;s18;s18;s16s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-JLYXXMFPNIAWKQ_on_P14867_WT,Low,ChEMBL30,CHEMBL15891,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,"""AuxInfo=1/0/N:2,3,11,5,9,7,1,4,12,6,10,8/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12ClCCClCClCClCClCCl/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s2s9;s11;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3073010;CHEMBL3073009;CHEMBL3073011;CHEMBL3073012,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  7.170;  6.950;  7.680;  7.920,7.43,0.387,0.22399999999999998,4.0,7.425,0.365
-JLYXXMFPNIAWKQ_on_P18505_WT,Low,ChEMBL30,CHEMBL15891,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,"""AuxInfo=1/0/N:2,3,11,5,9,7,1,4,12,6,10,8/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12ClCCClCClCClCClCCl/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s2s9;s11;/rC:;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3073010;CHEMBL3073009,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  7.170;  6.950,7.06,0.11,0.11,2.0,7.06,0.11
-JLYXXMFPNIAWKQ_on_P18507_WT,Low,ChEMBL30,CHEMBL15891,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,"""AuxInfo=1/0/N:2,3,11,5,9,7,1,4,12,6,10,8/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12ClCCClCClCClCClCCl/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s2s9;s11;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3073010;CHEMBL3073011;CHEMBL3073470,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  7.170;  7.680;  8.310,7.72,0.466,0.33,3.0,7.68,0.51
-JLYXXMFPNIAWKQ_on_P28472_WT,High,ChEMBL30,CHEMBL15891,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,"""AuxInfo=1/0/N:2,3,11,5,9,7,1,4,12,6,10,8/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12ClCCClCClCClCClCCl/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s2s9;s11;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3073472,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-JLYXXMFPNIAWKQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL15891,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,JLYXXMFPNIAWKQ,JLYXXMFPNIAWKQ-UHFFFAOYSA-N,InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H,"""AuxInfo=1/0/N:2,3,11,5,9,7,1,4,12,6,10,8/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12ClCCClCClCClCClCCl/rB:s1;s2;s3;s3;s5;s5;s7;s7;s9;s2s9;s11;/rC:;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3073470;CHEMBL3073471,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  8.310;  8.890,8.6,0.29,0.29,2.0,8.6,0.29
-JLZOXIUHWYFQIX_on_Q14416_WT,High,ChEMBL30,CHEMBL4061162,COc1ccc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)cc1,JLZOXIUHWYFQIX,JLZOXIUHWYFQIX-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-7(3-5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,5,23,4,24,11,6,3,10,22,18,17,7,19,14,12,13,9,8,20,21,15,16,2/E:(2,3)(4,5)(20,21)(22,23)/rA:24COCCCCCONCCCNCOOCCCOOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;d14;s14;s12;s17;s18;d19;s19;s10s17s18;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  7.800;  6.730,7.265,0.535,0.535,2.0,7.265,0.535
-JLZOXIUHWYFQIX_on_Q14832_WT,High,ChEMBL30,CHEMBL4061162,COc1ccc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)cc1,JLZOXIUHWYFQIX,JLZOXIUHWYFQIX-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-7(3-5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,5,23,4,24,11,6,3,10,22,18,17,7,19,14,12,13,9,8,20,21,15,16,2/E:(2,3)(4,5)(20,21)(22,23)/rA:24COCCCCCONCCCNCOOCCCOOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;d14;s14;s12;s17;s18;d19;s19;s10s17s18;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  8.340;  8.610,8.475,0.135,0.135,2.0,8.475,0.135
-JMCWBBIRRJRZAY_on_Q05586_WT,Low,ChEMBL30,CHEMBL228324,NCCCNCCCCNCCCNC(=O)c1ccc2C(=O)c3c(cccc3)C(=O)c2c1,JMCWBBIRRJRZAY,JMCWBBIRRJRZAY-UHFFFAOYSA-N,"InChI=1S/C25H32N4O3/c26-11-5-14-27-12-3-4-13-28-15-6-16-29-25(32)18-9-10-21-22(17-18)24(31)20-8-2-1-7-19(20)23(21)30/h1-2,7-10,17,27-28H,3-6,11-16,26H2,(H,29,32)","""AuxInfo=1/1/N:27,26,7,8,3,12,28,25,18,19,2,6,9,4,11,13,32,17,23,24,20,31,21,29,15,1,5,10,14,22,30,16/rA:32NCCCNCCCCNCCCNCOCCCCCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;d21;s21;d23;s24;d25;s26;s23d27;s24;d29;s20s29;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.310;  6.410,6.36,0.05,0.05,2.0,6.36,0.05
-JMCWBBIRRJRZAY_on_Q12879_WT,Low,ChEMBL30,CHEMBL228324,NCCCNCCCCNCCCNC(=O)c1ccc2C(=O)c3c(cccc3)C(=O)c2c1,JMCWBBIRRJRZAY,JMCWBBIRRJRZAY-UHFFFAOYSA-N,"InChI=1S/C25H32N4O3/c26-11-5-14-27-12-3-4-13-28-15-6-16-29-25(32)18-9-10-21-22(17-18)24(31)20-8-2-1-7-19(20)23(21)30/h1-2,7-10,17,27-28H,3-6,11-16,26H2,(H,29,32)","""AuxInfo=1/1/N:27,26,7,8,3,12,28,25,18,19,2,6,9,4,11,13,32,17,23,24,20,31,21,29,15,1,5,10,14,22,30,16/rA:32NCCCNCCCCNCCCNCOCCCCCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;d21;s21;d23;s24;d25;s26;s23d27;s24;d29;s20s29;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-JMCWBBIRRJRZAY_on_Q13224_WT,Low,ChEMBL30,CHEMBL228324,NCCCNCCCCNCCCNC(=O)c1ccc2C(=O)c3c(cccc3)C(=O)c2c1,JMCWBBIRRJRZAY,JMCWBBIRRJRZAY-UHFFFAOYSA-N,"InChI=1S/C25H32N4O3/c26-11-5-14-27-12-3-4-13-28-15-6-16-29-25(32)18-9-10-21-22(17-18)24(31)20-8-2-1-7-19(20)23(21)30/h1-2,7-10,17,27-28H,3-6,11-16,26H2,(H,29,32)","""AuxInfo=1/1/N:27,26,7,8,3,12,28,25,18,19,2,6,9,4,11,13,32,17,23,24,20,31,21,29,15,1,5,10,14,22,30,16/rA:32NCCCNCCCCNCCCNCOCCCCCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;d21;s21;d23;s24;d25;s26;s23d27;s24;d29;s20s29;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-JMCWYXPRTOXLSG_on_P41594_WT,High,ChEMBL30,CHEMBL2403682,O=C(C1CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,JMCWYXPRTOXLSG,JMCWYXPRTOXLSG-UHFFFAOYSA-N,"InChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2","""AuxInfo=1/0/N:19,18,20,17,21,15,4,5,14,8,7,11,16,3,9,10,13,2,22,6,1,12/E:(2,3)(4,5)(7,8)/rA:22OCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s3s4;s2;s6;s7;s8;d9;s6s10;s10;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-JMFPGGHGRTUWNT_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628102,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,JMFPGGHGRTUWNT,JMFPGGHGRTUWNT-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O6S/c1-30(27,28)17-9-8-16(29-17)18(24)22-11-6-7-15(14(21)10-11)23-19(25)12-4-2-3-5-13(12)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,22,23,21,24,13,14,7,6,29,12,20,19,27,15,8,5,9,25,17,28,11,16,10,26,18,3,4,30,2/E:(2,3)(4,5)(12,13)(19,20)(25,26)(27,28)/CRV:30.6/rA:30CSOOCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;d2;d2;s2;d5;s6;d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s16s20;d25;s15;s27;s12d27;s5s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-JMHQUGSHWBEHCD_on_Q14833_WT,High,ExCAPE-DB,56587858,O=C(Nc1nc(C(F)(F)F)cs1)c1ccccn1,JMHQUGSHWBEHCD,JMHQUGSHWBEHCD-UHFFFAOYSA-N,"InChI=1S/C10H6F3N3OS/c11-10(12,13)7-5-18-9(15-7)16-8(17)6-3-1-2-4-14-6/h1-5H,(H,15,16,17)","""AuxInfo=1/1/N:15,16,14,17,11,13,6,2,4,7,8,9,10,18,5,3,1,12/E:(11,12,13)/rA:18OCNCNCCFFFCSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s4s11;s2;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JMIBSVABGHKOBI_on_P41594_WT,High,ChEMBL30,CHEMBL511352,Cc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1,JMIBSVABGHKOBI,JMIBSVABGHKOBI-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,24,23,25,22,8,19,9,18,5,2,7,6,3,11,14,20,21,10,4,12,13/E:(2,3,4)/rA:25CCCNCCCCCNCOOCCCCCCNNCCCC/rB:s1;d2;s3;s4;d5;s6;w?7;s8;s9;s10;d11;s11;s13;s14;s14;s14;s10;s7s18;s6;s4d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-JMIBSVABGHKOBI_on_Q13255_WT,High,ChEMBL30,CHEMBL511352,Cc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1,JMIBSVABGHKOBI,JMIBSVABGHKOBI-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3","""AuxInfo=1/0/N:1,15,16,17,24,23,25,22,8,19,9,18,5,2,7,6,3,11,14,20,21,10,4,12,13/E:(2,3,4)/rA:25CCCNCCCCCNCOOCCCCCCNNCCCC/rB:s1;d2;s3;s4;d5;s6;w?7;s8;s9;s10;d11;s11;s13;s14;s14;s14;s10;s7s18;s6;s4d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-JMJHJCFWTNRPEI_on_P14867_WT,Low,ChEMBL30,CHEMBL53267,CC(C)c1c(O)c(C(C)C)cc(I)c1,JMJHJCFWTNRPEI,JMJHJCFWTNRPEI-UHFFFAOYSA-N,"InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCIC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821856;CHEMBL822800;CHEMBL678911;CHEMBL678910,PMID:9599235,1998.0,PMID:9599235;PMID:9599235;PMID:12109905;PMID:12109905,1998;1998;2002;2002,0,1,0,0,0,,=,  4.920;  4.290;  5.000;  4.500,4.678,0.293,0.16899999999999998,4.0,4.71,0.25
-JMJHJCFWTNRPEI_on_P18505_WT,Low,ChEMBL30,CHEMBL53267,CC(C)c1c(O)c(C(C)C)cc(I)c1,JMJHJCFWTNRPEI,JMJHJCFWTNRPEI-UHFFFAOYSA-N,"InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCIC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.920;  4.290,4.605,0.315,0.315,2.0,4.605,0.315
-JMJHJCFWTNRPEI_on_P18507_WT,Low,ChEMBL30,CHEMBL53267,CC(C)c1c(O)c(C(C)C)cc(I)c1,JMJHJCFWTNRPEI,JMJHJCFWTNRPEI-UHFFFAOYSA-N,"InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCIC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678911;CHEMBL678910;CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:12109905;PMID:12109905;PMID:9599235;PMID:9599235,2002;2002;1998;1998,0,1,0,0,0,,=,  5.000;  4.500;  4.920;  4.290,4.678,0.293,0.16899999999999998,4.0,4.71,0.25
-JMJHJCFWTNRPEI_on_P47870_WT,Low,ChEMBL30,CHEMBL53267,CC(C)c1c(O)c(C(C)C)cc(I)c1,JMJHJCFWTNRPEI,JMJHJCFWTNRPEI-UHFFFAOYSA-N,"InChI=1S/C12H17IO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCIC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  5.000;  4.500,4.75,0.25,0.25,2.0,4.75,0.25
-JMKPCWIZLCCRKN_on_P41594_WT,Low,ChEMBL30,CHEMBL203026,Cc1cc(-n2c(C)ccc2C)nc(OCc2cccc(Cl)c2)c1,JMKPCWIZLCCRKN,JMKPCWIZLCCRKN-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-13-9-18(22-14(2)7-8-15(22)3)21-19(10-13)23-12-16-5-4-6-17(20)11-16/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,7,11,18,17,19,8,9,3,23,22,15,2,6,10,16,20,4,13,21,12,5,14/E:(2,3)(7,8)(14,15)/rA:23CCCCNCCCCCCNCOCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d4;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-JMKYLIZUPROHTI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3917329,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CCC(C(=O)NCc3ncco3)CC1)cc2,JMKYLIZUPROHTI,JMKYLIZUPROHTI-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-23(2,3)14-28-18-10-9-17(26-20(18)27(4)22(28)30)15-5-7-16(8-6-15)21(29)25-13-19-24-11-12-31-19/h5,9-12,16H,6-8,13-14H2,1-4H3,(H,25,29)","""AuxInfo=1/1/N:8,9,10,1,16,29,17,28,30,31,25,26,22,6,15,18,14,11,23,12,19,3,7,24,21,13,2,5,20,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCONCCNCCOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;s23s26;s18;s15s28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-JMMLZWNYIVVPOH_on_Q14833_WT,Low,ChEMBL30,CHEMBL560296,O=C(Nc1cc(Cl)c(Cl)cc1)c1ccccc1,JMMLZWNYIVVPOH,JMMLZWNYIVVPOH-UHFFFAOYSA-N,"InChI=1S/C13H9Cl2NO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,11,10,5,12,4,8,6,2,9,7,3,1/E:(2,3)(4,5)/rA:17OCNCCCClCClCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JMRHVJPVNLBGRZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1783250,CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N,JMRHVJPVNLBGRZ,JMRHVJPVNLBGRZ-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,18,2,15,14,20,16,13,19,21,3,17,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s17;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JMRHVJPVNLBGRZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1783250,CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N,JMRHVJPVNLBGRZ,JMRHVJPVNLBGRZ-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,18,2,15,14,20,16,13,19,21,3,17,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s17;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JMRHVJPVNLBGRZ_on_P47869_WT,Low,ChEMBL30,CHEMBL1783250,CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N,JMRHVJPVNLBGRZ,JMRHVJPVNLBGRZ-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,18,2,15,14,20,16,13,19,21,3,17,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s17;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-JMTBFWVNWCMVMY_on_Q14833_WT,High,ChEMBL30,CHEMBL3609734,O=C(Nc1cc(OC(F)F)ccc1)c1nc(F)ccc1,JMTBFWVNWCMVMY,JMTBFWVNWCMVMY-UHFFFAOYSA-N,"InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)","""AuxInfo=1/1/N:12,19,13,11,20,18,5,4,6,14,16,2,8,17,9,10,3,15,1,7/E:(15,16)/rA:20OCNCCCOCFFCCCCNCFCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s8;d6;s11;s4d12;s2;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.170;  8.180,8.175,0.005,0.005,2.0,8.175,0.005
-JMWWGXHLXVIIHF_on_Q14643_WT,Medium,ChEMBL30,CHEMBL169923,O=C(NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)c1cccc2ccccc12,JMWWGXHLXVIIHF,JMWWGXHLXVIIHF-UHFFFAOYSA-N,"InChI=1S/C20H28NO16P3/c22-14-15(23)18(35-38(26,27)28)19(36-39(29,30)31)16(24)17(14)37-40(32,33)34-10-4-9-21-20(25)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-19,22-24H,4,9-10H2,(H,21,25)(H,32,33)(H2,26,27,28)(H2,29,30,31)","""AuxInfo=1/1/N:37,38,33,5,36,34,39,32,4,6,35,40,31,13,15,29,12,17,23,2,3,14,16,30,1,20,21,22,26,27,28,9,10,7,18,24,11,19,25,8/E:(26,27,28)(29,30,31)(32,33)/rA:40OCNCCCOPOOOCCOCOCOPOOOCOPOOOCOCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s11;s12;s13;s13;s15;s15;s17;s18;d19;s19;s19;s17;s23;s24;d25;s25;s25;s12s23;s29;s2;d31;s32;d33;s34;d35;s36;d37;s38;s31s35d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  5.080;  6.800,5.94,0.86,0.86,2.0,5.94,0.86
-JMXJXXYVELWEHX_on_P14867_WT,Low,ChEMBL30,CHEMBL371717,CN(C)c1nncc(-c2cc(Br)ccc2)c1,JMXJXXYVELWEHX,JMXJXXYVELWEHX-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-16(2)12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,14,15,13,10,16,7,9,8,11,4,12,6,5,2/E:(1,2)/rA:16CNCCNNCCCCCBrCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s4d8;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-JMXJXXYVELWEHX_on_P18507_WT,Low,ChEMBL30,CHEMBL371717,CN(C)c1nncc(-c2cc(Br)ccc2)c1,JMXJXXYVELWEHX,JMXJXXYVELWEHX-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-16(2)12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,14,15,13,10,16,7,9,8,11,4,12,6,5,2/E:(1,2)/rA:16CNCCNNCCCCCBrCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s4d8;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.290;  6.920;  7.260,7.157,0.168,0.11900000000000001,3.0,7.26,0.03
-JMXJXXYVELWEHX_on_P28472_WT,Low,ChEMBL30,CHEMBL371717,CN(C)c1nncc(-c2cc(Br)ccc2)c1,JMXJXXYVELWEHX,JMXJXXYVELWEHX-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-16(2)12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,14,15,13,10,16,7,9,8,11,4,12,6,5,2/E:(1,2)/rA:16CNCCNNCCCCCBrCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s4d8;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.920;  7.290;  7.260,7.157,0.168,0.11900000000000001,3.0,7.26,0.03
-JMXJXXYVELWEHX_on_P31644_WT,Low,ChEMBL30,CHEMBL371717,CN(C)c1nncc(-c2cc(Br)ccc2)c1,JMXJXXYVELWEHX,JMXJXXYVELWEHX-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-16(2)12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,14,15,13,10,16,7,9,8,11,4,12,6,5,2/E:(1,2)/rA:16CNCCNNCCCCCBrCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s4d8;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-JMXJXXYVELWEHX_on_P34903_WT,Low,ChEMBL30,CHEMBL371717,CN(C)c1nncc(-c2cc(Br)ccc2)c1,JMXJXXYVELWEHX,JMXJXXYVELWEHX-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-16(2)12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,14,15,13,10,16,7,9,8,11,4,12,6,5,2/E:(1,2)/rA:16CNCCNNCCCCCBrCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s9d14;s4d8;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-JMYLLNWIZCPIHQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3899807,COCCN(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,JMYLLNWIZCPIHQ,JMYLLNWIZCPIHQ-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O2/c1-25(9-10-27-2)13-14-3-8-17-18(15-4-6-16(22)7-5-15)12-20(21(23)26)24-19(17)11-14/h3-8,11-12H,9-10,13H2,1-2H3,(H2,23,26)","""AuxInfo=1/1/N:6,1,9,14,19,15,18,10,4,3,27,20,7,8,13,16,11,12,26,21,22,17,23,25,5,24,2/E:(4,5)(6,7)/rA:27COCCNCCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;s4;s5;s5;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-JNBDDIQRBAPNIS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3909120;CHEMBL4113778,CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)C2CCCCC21,JNBDDIQRBAPNIS,JNBDDIQRBAPNIS-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O/c1-25-20-5-3-2-4-18(20)21(22(25)26)19-13-10-16(14-24-19)7-6-15-8-11-17(23)12-9-15/h8-14,18,20-21H,2-5H2,1H3","""AuxInfo=1/0/N:1,23,24,22,25,11,10,13,18,8,14,17,7,19,12,9,15,21,6,26,5,3,16,20,2,4/E:(8,9)(11,12)/rA:26CNCOCCCCCCCCCCCFCCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s21;s22;s23;s24;s2s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.840;  7.240,7.04,0.2,0.2,2.0,7.04,0.2
-JNBPBOVUMYBOAD_on_P41594_WT,High,ChEMBL30,CHEMBL3605283,O=C(c1ccccc1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,JNBPBOVUMYBOAD,JNBPBOVUMYBOAD-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:6,5,7,24,4,8,23,25,11,10,20,14,17,3,21,19,12,13,16,2,22,26,9,1,18,15/E:(2,3)(5,6)/rA:26OCCCCCCCNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.540;  6.530,6.535,0.005,0.005,2.0,6.535,0.005
-JNCRVEGRUNRPPF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3958113,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1,JNCRVEGRUNRPPF,JNCRVEGRUNRPPF-UHFFFAOYSA-N,"InChI=1S/C23H21F4N3O/c24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27/h3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31)","""AuxInfo=1/1/N:21,22,16,8,13,9,12,15,20,29,5,18,28,17,7,23,10,14,6,30,4,2,24,11,25,26,27,1,31,19,3/E:(4,5)(6,7)(25,26,27)/rA:31NCOCCCCCCCFCCCCCCCNCCCCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.310;  7.230;  7.320,7.287000000000001,0.04,0.027999999999999997,3.0,7.31,0.01
-JNIAIHAEMRUXLS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760305,FC(F)(F)COc1cccc(C2(N3CCCCC3)CCCCC2)c1,JNIAIHAEMRUXLS,JNIAIHAEMRUXLS-UHFFFAOYSA-N,"InChI=1S/C19H26F3NO/c20-19(21,22)15-24-17-9-7-8-16(14-17)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13,15H2","""AuxInfo=1/0/N:21,16,20,22,15,17,9,10,8,19,23,14,18,24,5,11,7,12,2,1,3,4,13,6/E:(3,4)(5,6)(10,11)(12,13)(20,21,22)/rA:24FCFFCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s13s17;s12;s19;s20;s21;s12s22;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764159;CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.500;  5.300,4.9,0.4,0.4,2.0,4.9,0.4
-JNIAIHAEMRUXLS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760305,FC(F)(F)COc1cccc(C2(N3CCCCC3)CCCCC2)c1,JNIAIHAEMRUXLS,JNIAIHAEMRUXLS-UHFFFAOYSA-N,"InChI=1S/C19H26F3NO/c20-19(21,22)15-24-17-9-7-8-16(14-17)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13,15H2","""AuxInfo=1/0/N:21,16,20,22,15,17,9,10,8,19,23,14,18,24,5,11,7,12,2,1,3,4,13,6/E:(3,4)(5,6)(10,11)(12,13)(20,21,22)/rA:24FCFFCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s13s17;s12;s19;s20;s21;s12s22;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-JNIAIHAEMRUXLS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760305,FC(F)(F)COc1cccc(C2(N3CCCCC3)CCCCC2)c1,JNIAIHAEMRUXLS,JNIAIHAEMRUXLS-UHFFFAOYSA-N,"InChI=1S/C19H26F3NO/c20-19(21,22)15-24-17-9-7-8-16(14-17)18(10-3-1-4-11-18)23-12-5-2-6-13-23/h7-9,14H,1-6,10-13,15H2","""AuxInfo=1/0/N:21,16,20,22,15,17,9,10,8,19,23,14,18,24,5,11,7,12,2,1,3,4,13,6/E:(3,4)(5,6)(10,11)(12,13)(20,21,22)/rA:24FCFFCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s13s17;s12;s19;s20;s21;s12s22;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-JNJUWXAKLRKXII_on_P14867_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677037,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-JNJUWXAKLRKXII_on_P18507_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677037;CHEMBL680435;CHEMBL682082;CHEMBL682713,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.890;  9.100;  9.060;  9.190,9.06,0.109,0.063,4.0,9.08,0.065
-JNJUWXAKLRKXII_on_P28472_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677037;CHEMBL682713;CHEMBL682082;CHEMBL680435,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.890;  9.190;  9.060;  9.100,9.06,0.109,0.063,4.0,9.08,0.065
-JNJUWXAKLRKXII_on_P31644_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL682082,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-JNJUWXAKLRKXII_on_P34903_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680435,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-JNJUWXAKLRKXII_on_P47869_WT,Low,ChEMBL30,CHEMBL307111,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1,JNJUWXAKLRKXII,JNJUWXAKLRKXII-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,23,17,2,18,9,10,4,8,5,15,22,7,6,19,24,26,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNNCNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682713,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-JNODQFNWMXFMEV_on_Q05586_WT,Low,ChEMBL30,CHEMBL589390,Cc1ccc2c(c1)c1c(CCN(C)C1)n2CCc1cnc(C)cc1,JNODQFNWMXFMEV,JNODQFNWMXFMEV-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3","""AuxInfo=1/0/N:1,22,13,3,23,24,4,17,10,11,16,7,19,14,2,21,18,6,8,5,9,20,12,15/rA:24CCCCCCCCCCCNCCNCCCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;s10;s11;s12;s8s12;s5s9;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,DOI:10.1039/C4MD00069B,2014,1,0,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-JNODQFNWMXFMEV_on_Q12879_WT,Low,ChEMBL30,CHEMBL589390,Cc1ccc2c(c1)c1c(CCN(C)C1)n2CCc1cnc(C)cc1,JNODQFNWMXFMEV,JNODQFNWMXFMEV-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3","""AuxInfo=1/0/N:1,22,13,3,23,24,4,17,10,11,16,7,19,14,2,21,18,6,8,5,9,20,12,15/rA:24CCCCCCCCCCCNCCNCCCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;s10;s11;s12;s8s12;s5s9;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,DOI:10.1039/C4MD00069B,2014,1,0,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-JNPJLUSXOXTGGB_on_P31644_WT,High,ChEMBL30,CHEMBL3639753,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(C2CCC(F)CN2)no1,JNPJLUSXOXTGGB,JNPJLUSXOXTGGB-UHFFFAOYSA-N,"InChI=1S/C20H25FN4O3/c1-12-16(19(25-28-12)17-6-5-15(21)10-22-17)11-27-18-7-4-14(9-23-18)20(26)24-8-13-2-3-13/h4,7,9,13,15,17,22H,2-3,5-6,8,10-11H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,15,16,8,22,21,7,13,17,25,4,2,14,9,23,3,20,6,19,10,24,26,18,12,27,11,5,28/E:(2,3)/rA:28CCCCOCCCCCONCCCCCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;s20;s21;s22;s23;s23;s20s25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-JNWDOTPNEZYWGO_on_O00591_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_O14764_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P14867_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P18505_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P18507_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P28472_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P31644_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P34903_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P47869_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P47870_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P48169_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_P78334_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_Q16445_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWDOTPNEZYWGO_on_Q99928_WT,Low,ChEMBL30,CHEMBL330092,Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1,JNWDOTPNEZYWGO,JNWDOTPNEZYWGO-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O2/c15-8-5-6-12-10(7-8)17-14(20-12)18-11-4-2-1-3-9(11)16-13(18)19/h5-7H,1-4H2,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,16,15,19,17,4,13,5,14,2,11,18,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCCFCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s17;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JNWKHYISHLNUOO_on_O00591_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_O14764_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P14867_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P18505_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P18507_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P28472_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P31644_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P34903_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P41594_WT,High,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.770;  7.920,7.845,0.075,0.075,2.0,7.845,0.075
-JNWKHYISHLNUOO_on_P47869_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P47870_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P48169_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_P78334_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWKHYISHLNUOO_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410220,Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1,JNWKHYISHLNUOO,JNWKHYISHLNUOO-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3","""AuxInfo=1/0/N:1,18,12,13,11,5,6,20,21,3,16,8,2,17,4,14,7,10,15,22,19,9/rA:22CCCCCCCCNCCCCCFCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;s17;s7d17;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JNWXIPVJZKGMIM_on_P31644_WT,High,ChEMBL30,CHEMBL3681469,Cc1c(CNc2ccc(C(=O)NC(C)C)cn2)c(-c2ccccc2)no1,JNWXIPVJZKGMIM,JNWXIPVJZKGMIM-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-13(2)23-20(25)16-9-10-18(21-11-16)22-12-17-14(3)26-24-19(17)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,22)(H,23,25)","""AuxInfo=1/1/N:14,15,1,22,21,23,20,24,8,7,16,4,13,2,19,9,3,6,18,10,17,5,12,25,11,26/E:(1,2)(5,6)(7,8)/rA:26CCCCNCCCCCONCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-JNZBIEKQOFEXIO_on_Q05586_WT,Medium,ChEMBL30,CHEMBL22168,NC(C(=O)O)c1ccc(CP(=O)(O)O)cc1,JNZBIEKQOFEXIO,JNZBIEKQOFEXIO-UHFFFAOYSA-N,"InChI=1S/C9H12NO5P/c10-8(9(11)12)7-3-1-6(2-4-7)5-16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:8,15,7,16,10,9,6,2,3,1,4,5,12,13,14,11/E:(1,2)(3,4)(11,12)(13,14,15)/rA:16NCCOOCCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;s10;d11;s11;s11;s9;s6d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL753076,PMID:10866390,2000.0,PMID:10866390,2000,0,0,1,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-JOFWLTCLBGQGBO_on_P14867_WT,Medium,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:10633039,2000.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-JOFWLTCLBGQGBO_on_P18507_WT,Low,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.100;  8.810;  8.850;  9.230,8.998,0.174,0.10099999999999999,4.0,8.975,0.145
-JOFWLTCLBGQGBO_on_P28472_WT,Low,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.230;  8.850;  9.100;  8.810,8.997,0.174,0.10099999999999999,4.0,8.975,0.145
-JOFWLTCLBGQGBO_on_P31644_WT,Medium,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:10633039,2000.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-JOFWLTCLBGQGBO_on_P34903_WT,Low,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-JOFWLTCLBGQGBO_on_P47869_WT,Low,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.230,9.23,0.0,0.0,1.0,9.23,0.0
-JOFWLTCLBGQGBO_on_Q16445_WT,Low,ChEMBL30,CHEMBL646,Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12,JOFWLTCLBGQGBO,JOFWLTCLBGQGBO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,19,18,22,6,2,20,9,16,10,17,5,8,21,11,7,3,4,23/rA:23CCNNCCNCCCClCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;s10;d12;s13;s9d14;s8;d16;s17;d18;s19;s20;s16d20;s2s5s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JOGCXMKFTHLHLR_on_P14867_WT,Low,ChEMBL30,CHEMBL359474,c1ccc(-c2nnc3c4c(c(OCc5cccs5)nn23)C2CCC4CC2)cc1,JOGCXMKFTHLHLR,JOGCXMKFTHLHLR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)27-13-17-7-4-12-28-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,12,18/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-JOGCXMKFTHLHLR_on_P31644_WT,Low,ChEMBL30,CHEMBL359474,c1ccc(-c2nnc3c4c(c(OCc5cccs5)nn23)C2CCC4CC2)cc1,JOGCXMKFTHLHLR,JOGCXMKFTHLHLR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)27-13-17-7-4-12-28-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,12,18/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-JOGCXMKFTHLHLR_on_P34903_WT,Low,ChEMBL30,CHEMBL359474,c1ccc(-c2nnc3c4c(c(OCc5cccs5)nn23)C2CCC4CC2)cc1,JOGCXMKFTHLHLR,JOGCXMKFTHLHLR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)27-13-17-7-4-12-28-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,12,18/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-JOGCXMKFTHLHLR_on_P47869_WT,Low,ChEMBL30,CHEMBL359474,c1ccc(-c2nnc3c4c(c(OCc5cccs5)nn23)C2CCC4CC2)cc1,JOGCXMKFTHLHLR,JOGCXMKFTHLHLR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-5-16(6-3-1)20-23-24-21-18-14-8-10-15(11-9-14)19(18)22(25-26(20)21)27-13-17-7-4-12-28-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,15,23,25,22,26,17,13,24,21,4,14,9,10,5,8,11,6,7,19,20,12,18/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCCCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-JOHKRJNYKDHTID_on_P14867_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-JOHKRJNYKDHTID_on_P18507_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.120;  8.640;  9.590;  7.640,8.498,0.723,0.418,4.0,8.38,0.5
-JOHKRJNYKDHTID_on_P28472_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.590;  8.640;  8.120;  7.640,8.498,0.723,0.418,4.0,8.38,0.5
-JOHKRJNYKDHTID_on_P31644_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.590,9.59,0.0,0.0,1.0,9.59,0.0
-JOHKRJNYKDHTID_on_P34903_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-JOHKRJNYKDHTID_on_P47869_WT,Low,ChEMBL30,CHEMBL362282,Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,JOHKRJNYKDHTID,JOHKRJNYKDHTID-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3","""AuxInfo=1/0/N:1,29,14,13,15,12,16,24,26,23,27,30,5,2,28,25,22,11,20,21,10,19,7,17,18,3,8,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNNCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-JOIHRJCYZWQSEI_on_O00222_WT,High,ExCAPE-DB,24382981,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3cccc(F)c3)c(C)c2)cc1,JOIHRJCYZWQSEI,JOIHRJCYZWQSEI-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2S/c1-14-11-21(15(2)25(14)19-6-4-5-17(23)12-19)22(27)13-28-20-9-7-18(8-10-20)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:25,15,1,19,20,18,6,28,7,27,26,23,10,24,14,2,21,5,17,8,13,11,22,4,16,3,12,9/E:(7,8)(9,10)/rA:28CCONCCCCSCCOCCCNCCCCCFCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;s17d21;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.824,5.824,0.0,0.0,1.0,5.824,0.0
-JOIHRJCYZWQSEI_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561545,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3cc(F)ccc3)c(C)c2)cc1,JOIHRJCYZWQSEI,JOIHRJCYZWQSEI-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2S/c1-14-11-21(15(2)25(14)19-6-4-5-17(23)12-19)22(27)13-28-20-9-7-18(8-10-20)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:25,15,1,22,21,23,6,28,7,27,26,18,10,24,14,2,19,5,17,8,13,11,20,4,16,3,12,9/E:(7,8)(9,10)/rA:28CCONCCCCSCCOCCCNCCCFCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;s19;d19;s21;s17d22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.796,5.796,0.0,0.0,1.0,5.796,0.0
-JOIHRJCYZWQSEI_on_Q14833_WT,High,ExCAPE-DB,24382981,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3cccc(F)c3)c(C)c2)cc1,JOIHRJCYZWQSEI,JOIHRJCYZWQSEI-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2S/c1-14-11-21(15(2)25(14)19-6-4-5-17(23)12-19)22(27)13-28-20-9-7-18(8-10-20)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:25,15,1,19,20,18,6,28,7,27,26,23,10,24,14,2,21,5,17,8,13,11,22,4,16,3,12,9/E:(7,8)(9,10)/rA:28CCONCCCCSCCOCCCNCCCCCFCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;s17d21;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.481,5.481,0.0,0.0,1.0,5.481,0.0
-JOJWEJYXHBCEJT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3911644,O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1,JOJWEJYXHBCEJT,JOJWEJYXHBCEJT-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21)","""AuxInfo=1/1/N:14,15,22,23,13,16,21,24,6,11,12,17,20,7,2,4,18,25,5,3,1,9,10,19,8/E:(22,23)/CRV:25.6/rA:25OCNCNCCSOOCCCCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s17;s4s7;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-JOPBYJPWJHUZAP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114047,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)ccn1,JOPBYJPWJHUZAP,JOPBYJPWJHUZAP-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O/c1-13-9-16(3-4-18(13)22(24,25)26)21-28-20(15-5-7-27-14(2)10-15)19-6-8-30-17(11-23)12-29(19)21/h3-5,7,9-10,17H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:25,1,17,18,28,7,29,8,26,3,11,13,24,2,4,16,10,19,6,5,15,20,12,21,22,23,30,27,14,9/E:(24,25,26)/rA:30CCCCCCCCOCCFCNCCCCCCFFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s24;s16d24;s5d15;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-JOTQREWYWJYUSX_on_P41594_WT,Low,ChEMBL30,CHEMBL201781,OCC#Cc1nc(C#Cc2cccc(F)c2)cs1,JOTQREWYWJYUSX,JOTQREWYWJYUSX-UHFFFAOYSA-N,"InChI=1S/C14H8FNOS/c15-12-4-1-3-11(9-12)6-7-13-10-18-14(16-13)5-2-8-17/h1,3-4,9-10,17H,8H2","""AuxInfo=1/0/N:12,3,11,13,4,9,8,2,16,17,10,14,7,5,15,6,1,18/rA:18OCCCCNCCCCCCCCFCCS/rB:s1;s2;t3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;d7;s5s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JOZVKTPIHGTDAV_on_P18507_WT,Low,ChEMBL30,CHEMBL392618,CCCCc1cnnn1-c1c(Cl)cc(Br)cc1Cl,JOZVKTPIHGTDAV,JOZVKTPIHGTDAV-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCBrCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JOZVKTPIHGTDAV_on_P47869_WT,Low,ChEMBL30,CHEMBL392618,CCCCc1cnnn1-c1c(Cl)cc(Br)cc1Cl,JOZVKTPIHGTDAV,JOZVKTPIHGTDAV-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCBrCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JOZVKTPIHGTDAV_on_P47870_WT,Low,ChEMBL30,CHEMBL392618,CCCCc1cnnn1-c1c(Cl)cc(Br)cc1Cl,JOZVKTPIHGTDAV,JOZVKTPIHGTDAV-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCBrCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-JPBVNSVFRMNFNJ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2112048;11220954,CC1CCC(C(=O)c2ccc3nc4CCCCCc4cc3c2)CC1,JPBVNSVFRMNFNJ,JPBVNSVFRMNFNJ-UHFFFAOYSA-N,"InChI=1S/C22H27NO/c1-15-7-9-16(10-8-15)22(24)18-11-12-21-19(14-18)13-17-5-3-2-4-6-20(17)23-21/h11-16H,2-10H2,1H3","""AuxInfo=1/0/N:1,16,17,15,18,14,3,24,4,23,9,10,20,22,2,5,19,8,21,13,11,6,12,7/E:(7,8)(9,10)/rA:24CCCCCCOCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s13s18;d19;s11s20;s8d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  7.800;  7.796,7.797999999999999,0.002,0.002,2.0,7.797999999999999,0.002
-JPDVJKPFSWNDRC_on_Q14833_WT,High,ChEMBL30,CHEMBL4089473,ON=c1cc(-c2cn3cccc3cn2)oc2c1cccc2,JPDVJKPFSWNDRC,JPDVJKPFSWNDRC-UHFFFAOYSA-N,"InChI=1S/C16H11N3O2/c20-18-13-8-16(21-15-6-2-1-5-12(13)15)14-10-19-7-3-4-11(19)9-17-14/h1-10,20H","""AuxInfo=1/0/N:19,20,10,11,18,21,9,4,13,7,12,17,3,6,16,5,14,2,8,1,15/rA:21ONCCCCCNCCCCCNOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;s8;d9;s10;s8d11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-JPGHGALWWFYFIQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL358256,Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,JPGHGALWWFYFIQ,JPGHGALWWFYFIQ-UHFFFAOYSA-N,"InChI=1S/C16H22N4S2/c17-15-18-19-16(22-15)21-11-10-20-8-6-14(7-9-20)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,3,4,9,6,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JPGHGALWWFYFIQ_on_Q13224_WT,Medium,ChEMBL30,CHEMBL358256,Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,JPGHGALWWFYFIQ,JPGHGALWWFYFIQ-UHFFFAOYSA-N,"InChI=1S/C16H22N4S2/c17-15-18-19-16(22-15)21-11-10-20-8-6-14(7-9-20)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,3,4,9,6,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JPGHGALWWFYFIQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL358256,Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1,JPGHGALWWFYFIQ,JPGHGALWWFYFIQ-UHFFFAOYSA-N,"InChI=1S/C16H22N4S2/c17-15-18-19-16(22-15)21-11-10-20-8-6-14(7-9-20)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,3,4,9,6,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JPGTZVPDCMRYND_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647552,COc1cc(S(N)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCCC2)ccc1F,JPGTZVPDCMRYND,JPGTZVPDCMRYND-UHFFFAOYSA-N,"InChI=1S/C23H22FN5O3S/c1-32-21-11-16(33(25,30)31)7-8-17(21)18-10-14(6-9-20(18)24)19-12-27-28-23-22(19)26-13-29(23)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3,(H2,25,30,31)","""AuxInfo=1/1/N:1,27,28,26,29,30,10,11,31,14,4,17,23,15,25,5,12,13,16,32,3,21,20,33,7,22,18,19,24,8,9,2,6/E:(2,3)(4,5)(30,31)/CRV:33.6/rA:33COCCCSNOOCCCCCCCCNNCCNCNCCCCCCCCF/rB:s1;s2;d3;s4;s5;s6;d6;d6;d5;s10;s3d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s20s23;s24;s25;s26;s27;s25s28;d15;s30;s13d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-JPHZZNLCVDIFRM_on_Q14833_WT,High,ChEMBL30,CHEMBL4098106,ON=c1cc(-c2cc3cccn3cn2)oc2c1cccc2,JPHZZNLCVDIFRM,JPHZZNLCVDIFRM-UHFFFAOYSA-N,"InChI=1S/C16H11N3O2/c20-18-13-9-16(21-15-6-2-1-5-12(13)15)14-8-11-4-3-7-19(11)10-17-14/h1-10,20H","""AuxInfo=1/0/N:19,20,10,9,18,21,11,7,4,13,8,17,3,6,16,5,14,2,12,1,15/rA:21ONCCCCCCCCCNCNOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s8s11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-JPKWEFXFTCHDLC_on_Q14833_WT,High,ChEMBL30,CHEMBL568240,O=C(O)C1CCCCC1C(=O)Nc1cc(F)cc(Cl)c1,JPKWEFXFTCHDLC,JPKWEFXFTCHDLC-UHFFFAOYSA-N,"InChI=1S/C14H15ClFNO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:7,6,8,5,17,20,14,18,15,13,9,4,10,2,19,16,12,11,1,3/E:(19,20)/rA:20OCOCCCCCCCONCCCFCCClC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-JPOAMVOESKRGJG_on_Q14833_WT,High,ChEMBL30,CHEMBL3797449,Nc1c(C(=O)Nc2cc(Cl)ccc2)nccc1,JPOAMVOESKRGJG,JPOAMVOESKRGJG-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O/c13-8-3-1-4-9(7-8)16-12(17)11-10(14)5-2-6-15-11/h1-7H,14H2,(H,16,17)","""AuxInfo=1/1/N:12,16,11,13,17,15,8,9,7,2,3,4,10,1,14,6,5/rA:17NCCCONCCCClCCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s7d12;s3;d14;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.230;  6.240,6.235,0.005,0.005,2.0,6.235,0.005
-JPQIXGUAUXCORL_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171706,Cc1nc(C(=O)Nc2ncc(F)cc2)c(Nc2cccnc2)s1,JPQIXGUAUXCORL,JPQIXGUAUXCORL-UHFFFAOYSA-N,"InChI=1S/C15H12FN5OS/c1-9-19-13(14(22)21-12-5-4-10(16)7-18-12)15(23-9)20-11-3-2-6-17-8-11/h2-8,20H,1H3,(H,18,21,22)","""AuxInfo=1/1/N:1,19,18,13,14,20,10,22,2,11,17,8,4,5,15,12,21,9,3,16,7,6,23/rA:23CCNCCONCNCCFCCCNCCCCNCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s11;s8d13;d4;s15;s16;d17;s18;d19;s20;s17d21;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-JPTHNBRHBCNHOO_on_P41594_WT,High,ChEMBL30,CHEMBL1779992,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccs1)cc2,JPTHNBRHBCNHOO,JPTHNBRHBCNHOO-UHFFFAOYSA-N,"InChI=1S/C20H20N2OS/c23-20-18-11-9-15(8-10-17-7-4-14-24-17)21-19(18)12-13-22(20)16-5-2-1-3-6-16/h4,7,9,11,14,16H,1-3,5-6,12-13H2","""AuxInfo=1/0/N:11,10,12,20,9,13,19,16,23,17,24,5,6,21,15,8,18,3,4,2,14,7,1,22/E:(2,3)(5,6)/rA:24OCCCCCNCCCCCCNCCCCCCCSCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s18s21;s15;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,1;0,0,0;1,0,,=,  7.890;  6.140,7.015,0.875,0.875,2.0,7.015,0.875
-JPUBJSRVNYOIBK_on_Q14416_WT,High,ChEMBL30,CHEMBL4072262,Fc1c(Oc2ccnc(C3CC3)c2)ccc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)c1,JPUBJSRVNYOIBK,JPUBJSRVNYOIBK-UHFFFAOYSA-N,"InChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2","""AuxInfo=1/0/N:29,30,11,12,15,14,6,33,7,32,27,34,13,28,10,16,5,17,2,9,3,26,18,23,19,1,20,21,22,8,25,24,31,4/E:(1,2)(3,4)(27,28,29)/rA:34FCCOCCCNCCCCCCCCCCCFFFCNNCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;s10s11;s5d9;s3;d14;s15;s16;d17;s18;s19;s19;s19;s18;d23;s24;d25;s26;s27;s28;s28s29;s23s26;s31;s17d32;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.440;  7.730;  8.070,8.08,0.29,0.205,3.0,8.07,0.34
-JPVQCDSYIVAGIU_on_P41594_WT,Low,ChEMBL30,CHEMBL224135,CN(C)c1ccnc2c1c1c(s2)c(=O)n(C2CC2)cn1,JPVQCDSYIVAGIU,JPVQCDSYIVAGIU-UHFFFAOYSA-N,"InChI=1S/C14H14N4OS/c1-17(2)9-5-6-15-13-10(9)11-12(20-13)14(19)18(7-16-11)8-3-4-8/h5-8H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,5,6,19,16,4,9,10,11,8,13,7,20,2,15,14,12/E:(1,2)(3,4)/rA:20CNCCCCNCCCCSCONCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;s16;s16s17;s15;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JPVQCDSYIVAGIU_on_Q13255_WT,High,ChEMBL30,CHEMBL224135,CN(C)c1ccnc2c1c1c(s2)c(=O)n(C2CC2)cn1,JPVQCDSYIVAGIU,JPVQCDSYIVAGIU-UHFFFAOYSA-N,"InChI=1S/C14H14N4OS/c1-17(2)9-5-6-15-13-10(9)11-12(20-13)14(19)18(7-16-11)8-3-4-8/h5-8H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,5,6,19,16,4,9,10,11,8,13,7,20,2,15,14,12/E:(1,2)(3,4)/rA:20CNCCCCNCCCCSCONCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;s16;s16s17;s15;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-JPXHWYBSNMAAFV_on_Q14416_WT,Low,ChEMBL30,CHEMBL1096663,CCCCCCC1CN(c2ccc(S(C)(=O)=O)cc2)C(=O)O1,JPXHWYBSNMAAFV,JPXHWYBSNMAAFV-UHFFFAOYSA-N,"InChI=1S/C16H23NO4S/c1-3-4-5-6-7-14-12-17(16(18)21-14)13-8-10-15(11-9-13)22(2,19)20/h8-11,14H,3-7,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,3,4,5,6,11,19,12,18,8,10,7,13,20,9,21,16,17,22,14/E:(8,9)(10,11)(19,20)/CRV:22.6/rA:22CCCCCCCCNCCCCSCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-JPXVJQOTUNWRNZ_on_Q13224_WT,Medium,ChEMBL30,CHEMBL421976,N=C(NCc1c(Cl)cccc1)c1ccc(C(F)(F)F)cc1,JPXVJQOTUNWRNZ,JPXVJQOTUNWRNZ-UHFFFAOYSA-N,"InChI=1S/C15H12ClF3N2/c16-13-4-2-1-3-11(13)9-21-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2,(H2,20,21)","""AuxInfo=1/1/N:10,9,11,8,13,21,14,20,4,12,5,15,6,2,16,7,17,18,19,1,3/E:(5,6)(7,8)(17,18,19)/rA:21NCNCCCClCCCCCCCCCFFFCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;d14;s15;s16;s16;s16;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  7.250;  7.320,7.285,0.035,0.035,2.0,7.285,0.035
-JQAIPFMSOMFXNR_on_Q14833_WT,Low,ChEMBL30,CHEMBL3800516,CC1(C)CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1,JQAIPFMSOMFXNR,JQAIPFMSOMFXNR-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4O2/c1-18(2)9-15(24)23(10-18)14-6-5-11(8-12(14)19)22-17(25)16-13(20)4-3-7-21-16/h3-8H,9-10,20H2,1-2H3,(H,22,25)","""AuxInfo=1/1/N:1,3,20,19,23,24,21,11,4,25,12,9,17,8,5,16,14,2,10,18,22,13,7,6,15/E:(1,2)/rA:25CCCCCONCCClCCNCOCCNCCCNCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;s17;d19;s20;s16d21;s12;s8d23;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,>;<,  5.000;  8.000,6.5,1.5,1.5,2.0,6.5,1.5
-JQAKDZGKAYRALF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3958048,N#CC1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,JQAKDZGKAYRALF,JQAKDZGKAYRALF-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-16-6-4-15(5-7-16)19-11-21(22(25)28)26-20-10-14(3-8-18(19)20)13-27-9-1-2-17(27)12-24/h3-8,10-11,17H,1-2,9,13H2,(H2,25,28)","""AuxInfo=1/1/N:5,4,10,15,20,16,19,11,6,28,21,2,8,9,14,17,3,12,13,27,22,23,18,1,24,26,7,25/E:(4,5)(6,7)/rA:28NCCCCCNCCCCCCCCCCFCCCCCNONCC/rB:t1;s2;s3;s4;s5;s3s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-JQCXJCAKYWSWCH_on_Q05586_WT,High,ExCAPE-DB;ChEMBL30,9863759;CHEMBL248247,Cc1c(Cl)c(N(CC(=O)O)S(C)(=O)=O)c2nc(O)c(O)nc2c1,JQCXJCAKYWSWCH,JQCXJCAKYWSWCH-UHFFFAOYSA-N,"InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)","""AuxInfo=1/1/N:1,12,23,7,2,22,8,3,15,5,19,17,4,21,16,6,9,10,20,18,13,14,11/E:(17,18)(21,22)/CRV:23.6/rA:23CCCClCNCCOOSCOOCNCOCONCC/rB:s1;d2;s3;s3;s5;s6;s7;d8;s8;s6;s11;d11;d11;d5;s15;d16;s17;s17;s19;d19;s15s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,PubChemAID:308473;CHEMBL887322,PMID:17562362,2007.0,PubChemAID:308473;PMID:17562362,2010;2007,0;1,0,0,0,1;0,,=,  9.000;  9.000,9.0,0.0,0.0,2.0,9.0,0.0
-JQDAUOJPMYCOOC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909273,CC1CCC(c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)CC1,JQDAUOJPMYCOOC,JQDAUOJPMYCOOC-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4,7,10-11,13,15H,2-3,5-6,8-9,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,3,28,16,4,27,15,22,23,26,7,18,2,17,5,14,6,13,8,20,24,9,10,12,19,21,25,11/E:(2,3)(5,6)(8,9)(20,21)(26,27)/rA:28CCCCCCCCCNONCCCCCCNCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;s13d17;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JQGCDTFSZQHKAL_on_O15399_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_O60391_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_Q05586_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_Q12879_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_Q13224_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQGCDTFSZQHKAL_on_Q14957_WT,Low,ChEMBL30,CHEMBL41939,Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1,JQGCDTFSZQHKAL,JQGCDTFSZQHKAL-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(24)17(20(25)23-19(16)22-11-13)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,22,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,6,9,14,7,18,16,5,13,11,4,2,8,10,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCCCClCNCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-JQHJWKNJYLNAFL_on_O00591_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_O14764_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P14867_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P18505_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P18507_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P28472_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P31644_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P34903_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P47869_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P47870_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P48169_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_P78334_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_Q16445_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQHJWKNJYLNAFL_on_Q99928_WT,Low,ChEMBL30,CHEMBL277106,COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,JQHJWKNJYLNAFL,JQHJWKNJYLNAFL-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3OS/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28COCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-JQJOTLAOXFBIIX_on_Q13255_WT,Low,ChEMBL30,CHEMBL1951672,COc1ccccc1-n1ccc2c(sc3c2c(OC)ccn3)c1=O,JQJOTLAOXFBIIX,JQJOTLAOXFBIIX-UHFFFAOYSA-N,"InChI=1S/C18H14N2O3S/c1-22-13-6-4-3-5-12(13)20-10-8-11-15-14(23-2)7-9-19-17(15)24-16(11)18(20)21/h3-10H,1-2H3","""AuxInfo=1/0/N:1,19,6,5,7,4,20,11,21,10,12,8,3,17,16,13,15,23,22,9,24,2,18,14/rA:24COCCCCCCNCCCCSCCCOCCCNCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;d12;s13;s14;s12d15;s16;s17;s18;d17;s20;s15d21;s9s13;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-JQJRXUIKLIORNF_on_P41594_WT,High,ChEMBL30,CHEMBL2151500,O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,JQJRXUIKLIORNF,JQJRXUIKLIORNF-UHFFFAOYSA-N,"InChI=1S/C19H19ClF3N3O2/c20-15-3-1-2-12(8-15)16-24-17(28-25-16)13-9-26(10-13)18(27)11-4-6-14(7-5-11)19(21,22)23/h1-3,8,11,13-14H,4-7,9-10H2","""AuxInfo=1/0/N:21,20,22,4,12,5,11,25,14,28,3,19,15,6,23,18,16,2,7,24,8,9,10,17,26,13,1,27/E:(4,5)(6,7)(9,10)(21,22,23)/rA:28OCCCCCCFFFCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s7;s7;s7;s6;s3s11;s2;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;s13s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-JQLSECBWDAKQJE_on_P14867_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-JQLSECBWDAKQJE_on_P18507_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.180;  6.850;  6.670;  6.690,6.848,0.204,0.11800000000000001,4.0,6.77,0.09
-JQLSECBWDAKQJE_on_P28472_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.180;  6.690;  6.670;  6.850,6.848,0.204,0.11800000000000001,4.0,6.77,0.09
-JQLSECBWDAKQJE_on_P31644_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-JQLSECBWDAKQJE_on_P34903_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-JQLSECBWDAKQJE_on_P47869_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-JQLSECBWDAKQJE_on_Q16445_WT,Low,ChEMBL30,CHEMBL369358,CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2,JQLSECBWDAKQJE,JQLSECBWDAKQJE-UHFFFAOYSA-N,"InChI=1S/C14H11FN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-JQLWBDOGIMFIJS_on_P41594_WT,High,ChEMBL30,CHEMBL2205926,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(C(F)(F)F)cc2)c1=O,JQLWBDOGIMFIJS,JQLWBDOGIMFIJS-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5OS/c1-24(2)14-11-12-13(27-15(11)22-7-21-14)16(26)25(8-23-12)10-5-3-9(4-6-10)17(18,19)20/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,24,17,25,8,14,19,16,5,12,11,4,6,26,20,21,22,23,9,7,13,2,15,27,10/E:(1,2)(3,4)(5,6)(18,19,20)/rA:27CNCCCCNCNSCCNCNCCCCCFFFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s11s15;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JQLWBDOGIMFIJS_on_Q13255_WT,High,ChEMBL30,CHEMBL2205926,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(C(F)(F)F)cc2)c1=O,JQLWBDOGIMFIJS,JQLWBDOGIMFIJS-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5OS/c1-24(2)14-11-12-13(27-15(11)22-7-21-14)16(26)25(8-23-12)10-5-3-9(4-6-10)17(18,19)20/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,24,17,25,8,14,19,16,5,12,11,4,6,26,20,21,22,23,9,7,13,2,15,27,10/E:(1,2)(3,4)(5,6)(18,19,20)/rA:27CNCCCCNCNSCCNCNCCCCCFFFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s11s15;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-JQNPPGYUOXGPAM_on_Q14416_WT,Low,ChEMBL30,CHEMBL485191,CC1CN(Cc2ccc(C(C)N3CCCCC3)cc2)C(=O)O1,JQNPPGYUOXGPAM,JQNPPGYUOXGPAM-UHFFFAOYSA-N,"InChI=1S/C18H26N2O2/c1-14-12-20(18(21)22-14)13-16-6-8-17(9-7-16)15(2)19-10-4-3-5-11-19/h6-9,14-15H,3-5,10-13H2,1-2H3","""AuxInfo=1/0/N:1,11,15,14,16,7,19,8,18,13,17,3,5,2,10,6,9,20,12,4,21,22/E:(4,5)(6,7)(8,9)(10,11)/rA:22CCCNCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JQPZBNRTLJPARC_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771650,O=C(c1ccc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1,JQPZBNRTLJPARC,JQPZBNRTLJPARC-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-8-6-12(7-9-14)19(25)24-10-2-5-16(24)18-22-17(23-26-18)13-3-1-4-15(21)11-13/h1,3-4,6-9,11,16H,2,5,10H2","""AuxInfo=1/0/N:20,12,19,21,13,4,9,5,8,11,24,3,18,6,22,14,17,15,2,7,23,16,25,10,1,26/E:(6,7)(8,9)/rA:26OCCCCCFCCNCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s10s13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-JQQTVPFJENLABZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71712883;CHEMBL2403686,CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1,JQQTVPFJENLABZ,JQQTVPFJENLABZ-UHFFFAOYSA-N,"InChI=1S/C20H20N2OS/c1-14-11-16(12-14)20(23)22-10-9-17-18(13-22)24-19(21-17)8-7-15-5-3-2-4-6-15/h2-6,14,16H,9-13H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,16,15,9,8,3,24,12,2,17,4,10,11,14,5,23,7,6,13/E:(3,4)(5,6)(11,12)/rA:24CCCCCONCCCCCSCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;s2s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  7.092;  7.090,7.091,0.001,0.001,2.0,7.091,0.001
-JRCQRBJGHBZPRG_on_P18507_WT,Low,ChEMBL30,CHEMBL1783251,CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N,JRCQRBJGHBZPRG,JRCQRBJGHBZPRG-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,16,19,2,21,20,22,14,13,3,17,15,18,12,11,23,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JRCQRBJGHBZPRG_on_P28472_WT,Low,ChEMBL30,CHEMBL1783251,CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N,JRCQRBJGHBZPRG,JRCQRBJGHBZPRG-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,16,19,2,21,20,22,14,13,3,17,15,18,12,11,23,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JRCQRBJGHBZPRG_on_P47869_WT,Low,ChEMBL30,CHEMBL1783251,CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N,JRCQRBJGHBZPRG,JRCQRBJGHBZPRG-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,16,19,2,21,20,22,14,13,3,17,15,18,12,11,23,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-JRDUPVUUUYSETR_on_P41594_WT,High,ChEMBL30,CHEMBL3735340,CC(C)(C)n1nnc2c1CCC(c1nc(-c3ccc(C#N)cc3)no1)C2,JRDUPVUUUYSETR,JRDUPVUUUYSETR-UHFFFAOYSA-N,"InChI=1S/C19H20N6O/c1-19(2,3)25-16-9-8-14(10-15(16)22-24-25)18-21-17(23-26-18)13-6-4-12(11-20)5-7-13/h4-7,14H,8-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,22,17,23,11,10,26,20,19,16,12,8,9,15,13,2,21,14,7,24,6,5,25/E:(1,2,3)(4,5)(6,7)/rA:26CCCCNNNCCCCCCNCCCCCCNCCNOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;t20;s19;s16d22;d15;s13s24;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-JRGOZUPASNAZDD_on_O00591_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_O14764_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P14867_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P18505_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P18507_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P28472_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P31644_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P34903_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P47869_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P47870_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P48169_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_P78334_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_Q16445_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGOZUPASNAZDD_on_Q99928_WT,Low,ChEMBL30,CHEMBL69488,CCCCc1ncc2[nH]c3c(cccc3)c2c1,JRGOZUPASNAZDD,JRGOZUPASNAZDD-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,13,14,4,12,15,17,7,5,11,16,10,8,6,9/rA:17CCCCCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-JRGRWIMAJDQCPG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3910265,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1,JRGRWIMAJDQCPG,JRGRWIMAJDQCPG-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O/c23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15/h1-9,11-13H,10H2,(H2,24,27)","""AuxInfo=1/1/N:21,20,16,8,13,9,12,15,22,18,25,5,24,17,19,7,10,14,6,26,4,2,11,1,23,27,3/E:(4,5)(6,7)/rA:27NCOCCCCCCCFCCCCCCCCCCCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-JRHLVCCOBYWPEE_on_P41594_WT,High,ChEMBL30,CHEMBL1808877,Cc1c(C2CCCN2C(=O)c2cncnc2)cnc(-c2cc(Cl)ccc2)c1,JRHLVCCOBYWPEE,JRHLVCCOBYWPEE-UHFFFAOYSA-N,"InChI=1S/C21H19ClN4O/c1-14-8-19(15-4-2-5-17(22)9-15)25-12-18(14)20-6-3-7-26(20)21(27)16-10-23-13-24-11-16/h2,4-5,8-13,20H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,25,6,26,24,5,7,27,21,12,16,17,14,2,20,11,22,3,19,4,9,23,13,15,18,8,10/E:(10,11)(23,24)/rA:27CCCCCCCNCOCCNCNCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  6.540;  6.960,6.75,0.21,0.21,2.0,6.75,0.21
-JRLRJUXCVXQXRI_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL219113;9945500,O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1,JRLRJUXCVXQXRI,JRLRJUXCVXQXRI-UHFFFAOYSA-N,"InChI=1S/C16H20N4O2S/c21-16(22-11-14-4-2-1-3-5-14)20-8-6-13(7-9-20)10-17-15-19-18-12-23-15/h1-5,12-13H,6-11H2,(H,17,19)","""AuxInfo=1/1/N:8,7,9,6,10,13,22,12,23,15,4,20,14,5,17,2,16,19,18,11,1,3,21/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCOCCCCCCCNCCCCNCNNCSCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s17s20;s14;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  6.720;  6.721,6.72,0.001,0.001,2.0,6.72,0.001
-JRMIZOHYAIDBPR_on_O15399_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_O60391_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_P41594_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_Q05586_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_Q12879_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_Q13224_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRMIZOHYAIDBPR_on_Q14957_WT,Low,ChEMBL30,CHEMBL4163974,Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12,JRMIZOHYAIDBPR,JRMIZOHYAIDBPR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3","""AuxInfo=1/0/N:1,7,6,10,18,2,8,19,11,5,15,13,9,12,3,16,4,14,17/rA:19CCNNCCCCFCCFCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s11;s4;d13;s13;d15;s16;s17;s2s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JRNUSJIXULHHSP_on_P31644_WT,High,ChEMBL30,CHEMBL3675677,Cc1c(COc2nn(C)c(C(=O)NN3CCOCC3)c2)n(-c2ccc(F)cc2)nn1,JRNUSJIXULHHSP,JRNUSJIXULHHSP-UHFFFAOYSA-N,"InChI=1S/C19H22FN7O3/c1-13-17(27(24-21-13)15-5-3-14(20)4-6-15)12-30-18-11-16(25(2)22-18)19(28)23-26-7-9-29-10-8-26/h3-6,11H,7-10,12H2,1-2H3,(H,23,28)","""AuxInfo=1/1/N:1,9,24,27,23,28,15,19,16,18,20,4,2,25,22,10,3,6,11,26,30,7,13,29,8,14,21,12,17,5/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCOCNNCCCONNCCOCCCNCCCCFCCNN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s6d10;s3;s21;d22;s23;d24;s25;s25;s22d27;s21;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-JRPBSTGRRSTANR_on_P14867_WT,Low,ChEMBL30,CHEMBL109956,CC(C)Cc1cccc(CC(C)C)c1O,JRPBSTGRRSTANR,JRPBSTGRRSTANR-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3","""AuxInfo=1/0/N:1,3,12,13,7,6,8,4,10,2,11,5,9,14,15/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:15CCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s11;s5d9;s14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  5.600,5.15,0.45,0.45,2.0,5.15,0.45
-JRPBSTGRRSTANR_on_P18507_WT,Low,ChEMBL30,CHEMBL109956,CC(C)Cc1cccc(CC(C)C)c1O,JRPBSTGRRSTANR,JRPBSTGRRSTANR-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3","""AuxInfo=1/0/N:1,3,12,13,7,6,8,4,10,2,11,5,9,14,15/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:15CCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s11;s5d9;s14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  5.600,5.15,0.45,0.45,2.0,5.15,0.45
-JRPBSTGRRSTANR_on_P47870_WT,Low,ChEMBL30,CHEMBL109956,CC(C)Cc1cccc(CC(C)C)c1O,JRPBSTGRRSTANR,JRPBSTGRRSTANR-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3","""AuxInfo=1/0/N:1,3,12,13,7,6,8,4,10,2,11,5,9,14,15/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:15CCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s11;s5d9;s14;/rC:;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.700;  5.600,5.15,0.45,0.45,2.0,5.15,0.45
-JRQRKFDFHAPMGQ_on_O00222_WT,Medium,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JRQRKFDFHAPMGQ_on_O15303_WT,Medium,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-JRQRKFDFHAPMGQ_on_P41594_WT,Low,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-JRQRKFDFHAPMGQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-JRQRKFDFHAPMGQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-JRQRKFDFHAPMGQ_on_Q14831_WT,Medium,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL821295,PMID:10866390,2000.0,PMID:10866390,2000,0,1,0,0,0,,=,  4.320,4.32,0.0,0.0,1.0,4.32,0.0
-JRQRKFDFHAPMGQ_on_Q14832_WT,Low,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.699,3.699,0.0,0.0,1.0,3.699,0.0
-JRQRKFDFHAPMGQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL277475,NC(C(=O)O)c1ccc(P(=O)(O)O)cc1,JRQRKFDFHAPMGQ,JRQRKFDFHAPMGQ-UHFFFAOYSA-N,"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","""AuxInfo=1/1/N:7,15,8,14,6,9,2,3,1,4,5,11,12,13,10/E:(1,2)(3,4)(10,11)(12,13,14)/rA:15NCCOOCCCCPOOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s10;s9;s6d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715496;CHEMBL818779;CHEMBL715495;CHEMBL716502,PMID:10866390,2000.0,PMID:10866390;PMID:10866390;PMID:10888329;PMID:10893301,2000,0,1;1;1;0,0,0;0;0;1,0,,=,  5.280;  5.500;  5.330;  5.280,5.348,0.09,0.052000000000000005,4.0,5.305,0.025
-JRTBXHFCVXORRC_on_Q13255_WT,High,ChEMBL30,CHEMBL3760018,Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2ccc1,JRTBXHFCVXORRC,JRTBXHFCVXORRC-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3S/c1-10-4-3-5-13-16(10)20(27)24(19(13)26)15-7-6-12(8-14(15)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,16,27,28,26,9,8,20,18,2,15,10,25,21,7,3,14,12,23,4,22,19,11,6,13,24,5,17/rA:28CCCCONCCCCNCOCCCSCNCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;s15;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.630;  6.640,6.635,0.005,0.005,2.0,6.635,0.005
-JRTBXHFCVXORRC_on_Q14833_WT,High,ChEMBL30,CHEMBL3760018,Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2ccc1,JRTBXHFCVXORRC,JRTBXHFCVXORRC-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3S/c1-10-4-3-5-13-16(10)20(27)24(19(13)26)15-7-6-12(8-14(15)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,16,27,28,26,9,8,20,18,2,15,10,25,21,7,3,14,12,23,4,22,19,11,6,13,24,5,17/rA:28CCCCONCCCCNCOCCCSCNCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;s15;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-JRTOQOAGTSUNHA_on_Q13255_WT,Low,ChEMBL30,CHEMBL73698,NC(Cc1c(Br)c(O)no1)C(=O)O,JRTOQOAGTSUNHA,JRTOQOAGTSUNHA-UHFFFAOYSA-N,"InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:3,2,4,5,7,11,6,1,9,8,12,13,10/E:(11,12)/rA:13NCCCCBrCONOCOO/rB:s1;s2;s3;d4;s5;s5;s7;d7;s4s9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL877741,PMID:12747796,2003.0,PMID:12747796,2003,0,0,0,1,0,,=,  3.483,3.483,0.0,0.0,1.0,3.483,0.0
-JRTOXUHDTQKLSX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3975666,CN1CCCCC(c2ccc(C#Cc3ccc(F)cc3)cn2)C1=O,JRTOXUHDTQKLSX,JRTOXUHDTQKLSX-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-23-13-3-2-4-18(20(23)24)19-12-9-16(14-22-19)6-5-15-7-10-17(21)11-8-15/h7-12,14,18H,2-4,13H2,1H3","""AuxInfo=1/0/N:1,5,4,6,13,12,15,20,10,16,19,9,3,21,14,11,17,7,8,23,18,22,2,24/E:(7,8)(10,11)/rA:24CNCCCCCCCCCCCCCCCFCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s17;s14d19;s11;s8d21;s2s7;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JRZYSSVZZSDOHZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44441388;CHEMBL430009,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1[N+](=O)[O-],JRZYSSVZZSDOHZ,JRZYSSVZZSDOHZ-UHFFFAOYSA-N,"InChI=1S/C22H14ClN3O5/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26(30)31)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11H,12H2,(H,24,27)","""AuxInfo=1/1/N:18,19,25,26,17,20,24,27,6,5,9,11,10,7,16,15,23,4,28,2,21,13,8,3,12,29,1,22,14,30,31/E:(1,2)(5,6)(15,16)(21,22)(28,29)(30,31)/CRV:26.5/rA:31OCNCCCCClCCCNCOCCCCCCCOCCCCCCN+OO-/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:305981;CHEMBL903194,PMID:17210250,2007.0,PubChemAID:305981;PMID:17210250,2010;2007,0,0;1,0,0,1;0,,=,  5.244;  5.240,5.242000000000001,0.002,0.002,2.0,5.242000000000001,0.002
-JSDYTEOPJOVCPM_on_P14867_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-JSDYTEOPJOVCPM_on_P18507_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681483;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.460;  6.420;  8.100;  7.890,7.718,0.7759999999999999,0.44799999999999995,4.0,7.995,0.285
-JSDYTEOPJOVCPM_on_P28472_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637;CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.460;  8.100;  7.890;  6.420,7.718,0.7759999999999999,0.44799999999999995,4.0,7.995,0.285
-JSDYTEOPJOVCPM_on_P31644_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-JSDYTEOPJOVCPM_on_P34903_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-JSDYTEOPJOVCPM_on_P47869_WT,Low,ChEMBL30,CHEMBL55565,Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1,JSDYTEOPJOVCPM,JSDYTEOPJOVCPM-UHFFFAOYSA-N,"InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,24,10,15,11,14,18,22,19,21,7,3,2,9,17,12,8,6,16,5,25,13,20,27,23,26,4/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCSCCCCCCCCFCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s16;s23;s6s23;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-JSEOSZLJTFXWSV_on_P41594_WT,High,ChEMBL30,CHEMBL3972213,N#Cc1c(-c2ccccc2)nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1,JSEOSZLJTFXWSV,JSEOSZLJTFXWSV-UHFFFAOYSA-N,"InChI=1S/C25H16N4/c26-16-20-21(17-10-4-1-5-11-17)22-24(19-14-8-3-9-15-19)28-29-25(22)27-23(20)18-12-6-2-7-13-18/h1-15H,(H,27,28,29)","""AuxInfo=1/1/N:27,8,19,26,28,7,9,18,20,25,29,6,10,17,21,2,24,5,16,3,23,22,4,15,12,1,11,14,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29NCCCCCCCCCNCNNCCCCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s12s15;s3d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-JSFBEWCQSWLDIH_on_Q13255_WT,High,ChEMBL30,CHEMBL3759530,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)[nH]nc1,JSFBEWCQSWLDIH,JSFBEWCQSWLDIH-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,25,28,18,2,7,14,23,10,15,3,4,12,16,24,27,6,26,11,5,13,17/rA:28CCCCONCCCCNCOCCCOCCCCCCClCNNC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.360;  5.310,5.335,0.025,0.025,2.0,5.335,0.025
-JSFBEWCQSWLDIH_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759530,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)[nH]nc1,JSFBEWCQSWLDIH,JSFBEWCQSWLDIH-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-10-4-3-5-13-16(10)20(28)25(19(13)27)15-7-6-12(8-14(15)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,25,28,18,2,7,14,23,10,15,3,4,12,16,24,27,6,26,11,5,13,17/rA:28CCCCONCCCCNCOCCCOCCCCCCClCNNC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JSHCAYXRWHQQOX_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,66612837;CHEMBL2029786,CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O,JSHCAYXRWHQQOX,JSHCAYXRWHQQOX-UHFFFAOYSA-N,"InChI=1S/C17H18N2O/c1-13(2)8-10-19-11-9-15(16(12-18)17(19)20)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,11,15,4,8,5,7,17,2,10,9,16,19,18,6,20/E:(1,2)(4,5)(6,7)/rA:20CCCCCNCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;t17;s6s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL3378785,PMID:22364337,2012.0,PubChemAID:663068;PMID:25032784,2013;2014,0,0;1,0,0,1;0,,=,  5.070;  5.070,5.07,0.0,0.0,2.0,5.07,0.0
-JSJOIAGWCLDVRP_on_Q14416_WT,High,ChEMBL30,CHEMBL593196,Cn1c(CN2CCC(c3ccccc3)CC2)nc2c1cccc2,JSJOIAGWCLDVRP,JSJOIAGWCLDVRP-UHFFFAOYSA-N,"InChI=1S/C20H23N3/c1-22-19-10-6-5-9-18(19)21-20(22)15-23-13-11-17(12-14-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3","""AuxInfo=1/0/N:1,12,11,13,22,21,10,14,23,20,7,15,6,16,4,9,8,18,19,3,17,2,5/E:(3,4)(7,8)(11,12)(13,14)/rA:23CNCCNCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;d3;s17;s2d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.200;  6.700,5.95,0.75,0.75,2.0,5.95,0.75
-JSRDFWNYGOLQRY_on_O00222_WT,High,ChEMBL30,CHEMBL4061016,NC(CCP(=O)(O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O,JSRDFWNYGOLQRY,JSRDFWNYGOLQRY-UHFFFAOYSA-N,"InChI=1S/C11H11F5NO5P/c12-5-4(6(13)8(15)9(16)7(5)14)11(20)23(21,22)2-1-3(17)10(18)19/h3,11,20H,1-2,17H2,(H,18,19)(H,21,22)","""AuxInfo=1/1/N:3,4,2,10,11,19,13,17,15,21,8,12,20,14,18,16,1,22,23,9,6,7,5/E:(5,6)(7,8)(12,13)(14,15)(18,19)(21,22)/rA:23NCCCPOOCOCCFCFCFCFCFCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;s13;d13;s15;s15;s17;s10d17;s19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.120;  4.730,4.925,0.195,0.195,2.0,4.925,0.195
-JSRDFWNYGOLQRY_on_O15303_WT,High,ChEMBL30,CHEMBL4061016,NC(CCP(=O)(O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O,JSRDFWNYGOLQRY,JSRDFWNYGOLQRY-UHFFFAOYSA-N,"InChI=1S/C11H11F5NO5P/c12-5-4(6(13)8(15)9(16)7(5)14)11(20)23(21,22)2-1-3(17)10(18)19/h3,11,20H,1-2,17H2,(H,18,19)(H,21,22)","""AuxInfo=1/1/N:3,4,2,10,11,19,13,17,15,21,8,12,20,14,18,16,1,22,23,9,6,7,5/E:(5,6)(7,8)(12,13)(14,15)(18,19)(21,22)/rA:23NCCCPOOCOCCFCFCFCFCFCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;s13;d13;s15;s15;s17;s10d17;s19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-JSRDFWNYGOLQRY_on_Q14831_WT,Low,ChEMBL30,CHEMBL4061016,NC(CCP(=O)(O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O,JSRDFWNYGOLQRY,JSRDFWNYGOLQRY-UHFFFAOYSA-N,"InChI=1S/C11H11F5NO5P/c12-5-4(6(13)8(15)9(16)7(5)14)11(20)23(21,22)2-1-3(17)10(18)19/h3,11,20H,1-2,17H2,(H,18,19)(H,21,22)","""AuxInfo=1/1/N:3,4,2,10,11,19,13,17,15,21,8,12,20,14,18,16,1,22,23,9,6,7,5/E:(5,6)(7,8)(12,13)(14,15)(18,19)(21,22)/rA:23NCCCPOOCOCCFCFCFCFCFCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;s13;d13;s15;s15;s17;s10d17;s19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JSRDFWNYGOLQRY_on_Q14833_WT,High,ChEMBL30,CHEMBL4061016,NC(CCP(=O)(O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O,JSRDFWNYGOLQRY,JSRDFWNYGOLQRY-UHFFFAOYSA-N,"InChI=1S/C11H11F5NO5P/c12-5-4(6(13)8(15)9(16)7(5)14)11(20)23(21,22)2-1-3(17)10(18)19/h3,11,20H,1-2,17H2,(H,18,19)(H,21,22)","""AuxInfo=1/1/N:3,4,2,10,11,19,13,17,15,21,8,12,20,14,18,16,1,22,23,9,6,7,5/E:(5,6)(7,8)(12,13)(14,15)(18,19)(21,22)/rA:23NCCCPOOCOCCFCFCFCFCFCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s11;s13;d13;s15;s15;s17;s10d17;s19;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.250;  5.310,5.28,0.03,0.03,2.0,5.28,0.03
-JSRKYARWMIOKOB_on_O00591_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_O14764_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P14867_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P18505_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P18507_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P28472_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P31644_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P34903_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P47869_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P47870_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P48169_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_P78334_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_Q16445_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRKYARWMIOKOB_on_Q99928_WT,Low,ChEMBL30,CHEMBL93827,Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1,JSRKYARWMIOKOB,JSRKYARWMIOKOB-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)","""AuxInfo=1/1/N:8,7,9,6,18,19,15,16,4,13,5,14,2,11,17,3,12,10,1,20/rA:20OCNCCCCCCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-JSRXJVDNUFADQS_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684232,O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCc1ncccc1,JSRXJVDNUFADQS,JSRXJVDNUFADQS-UHFFFAOYSA-N,"InChI=1S/C23H16N2O2/c26-22-20-12-11-18(10-9-17-6-2-1-3-7-17)16-21(20)23(27)25(22)15-13-19-8-4-5-14-24-19/h1-8,11-12,14,16H,13,15H2","""AuxInfo=1/0/N:12,11,13,26,25,10,14,27,8,7,15,16,21,24,20,5,9,6,22,3,4,2,17,23,19,1,18/E:(2,3)(6,7)/rA:27OCCCCCCCCCCCCCCCCONCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;d17;s2s17;s19;s20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-JSSJBBXTMPPJTP_on_Q14416_WT,High,ChEMBL30,CHEMBL1095746,CCCCCCC1CN(c2ccc(C#N)cc2)C(=O)O1,JSSJBBXTMPPJTP,JSSJBBXTMPPJTP-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2/c1-2-3-4-5-6-15-12-18(16(19)20-15)14-9-7-13(11-17)8-10-14/h7-10,15H,2-6,12H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,12,16,11,17,14,8,13,10,7,18,15,9,19,20/E:(7,8)(9,10)/rA:20CCCCCCCCNCCCCCNCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-JSVSQVPSMIRTCS_on_P31644_WT,High,ChEMBL30,CHEMBL3676425,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(Cl)cn2)no1,JSVSQVPSMIRTCS,JSVSQVPSMIRTCS-UHFFFAOYSA-N,"InChI=1S/C19H19ClN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4-9,11H,10H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,8,21,20,7,16,24,4,13,2,9,22,3,19,6,18,10,23,25,17,12,26,11,5,27/E:(1,2)/rA:27CCCCOCCCCCONCCCCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-JSWQCBISSDFLDD_on_P41594_WT,High,ChEMBL30,CHEMBL1257156,N#Cc1cccc(N2CCc3c(C2)oc(-c2ccccn2)n3)c1,JSWQCBISSDFLDD,JSWQCBISSDFLDD-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-15-17(12-22)23-18(21-15)16-6-1-2-8-20-16/h1-6,8,10H,7,9,12H2","""AuxInfo=1/0/N:18,19,5,4,6,17,10,20,9,23,2,13,3,7,11,16,12,15,1,21,22,8,14/rA:23NCCCCCCNCCCCCOCCCCCCNNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s8s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s11d15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-JSWWVKVEIOUATR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44452996;CHEMBL404883,Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cscc2)n1,JSWWVKVEIOUATR,JSWWVKVEIOUATR-UHFFFAOYSA-N,"InChI=1S/C19H17N3OS/c1-14-11-22-12-16(19(23)21-7-2-3-8-21)10-18(22)17(20-14)5-4-15-6-9-24-13-15/h6,9-13H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,11,12,18,17,23,10,13,22,14,3,5,20,2,19,6,16,15,7,24,9,4,8,21/E:(2,3)(7,8)/rA:24CCCNCCCONCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s6;s4d14;s15;s16;t17;s18;d19;s20;s21;s19d22;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  7.700;  7.700,7.7,0.0,0.0,2.0,7.7,0.0
-JSWZHXCILQSEFM_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797659,C=C(C)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12,JSWZHXCILQSEFM,JSWZHXCILQSEFM-UHFFFAOYSA-N,"InChI=1S/C19H20FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10H,2,5,11H2,1,3-4H3","""AuxInfo=1/0/N:14,1,3,6,13,17,20,16,21,22,11,2,5,18,10,15,23,4,8,19,9,12,25,24,7/E:(6,7)(8,9)/rA:25CCCCCCSCNCCNCCCCCCFCCCCON/rB:d1;s2;s2;d4;s5;s5;s7;d8;s9;s10;s11;s12;s13;s12;d15;s16;d17;s18;s18;s15d20;d10;s22;d23;s4s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-JSWZHXCILQSEFM_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797659,C=C(C)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12,JSWZHXCILQSEFM,JSWZHXCILQSEFM-UHFFFAOYSA-N,"InChI=1S/C19H20FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10H,2,5,11H2,1,3-4H3","""AuxInfo=1/0/N:14,1,3,6,13,17,20,16,21,22,11,2,5,18,10,15,23,4,8,19,9,12,25,24,7/E:(6,7)(8,9)/rA:25CCCCCCSCNCCNCCCCCCFCCCCON/rB:d1;s2;s2;d4;s5;s5;s7;d8;s9;s10;s11;s12;s13;s12;d15;s16;d17;s18;s18;s15d20;d10;s22;d23;s4s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-JSYDGSMKNDRKIF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894724,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCS3(=O)=O)cc2n1,JSYDGSMKNDRKIF,JSYDGSMKNDRKIF-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c22-16-6-4-15(5-7-16)18-12-20(21(23)26)24-19-11-14(3-8-17(18)19)13-25-9-1-2-10-29(25,27)28/h3-8,11-12H,1-2,9-10,13H2,(H2,23,26)","""AuxInfo=1/1/N:21,22,16,8,13,9,12,15,20,23,27,5,18,17,7,10,14,6,28,4,2,11,1,29,19,3,25,26,24/E:(4,5)(6,7)(27,28)/CRV:29.6/rA:29NCOCCCCCCCFCCCCCCCNCCCCSOOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d24;d24;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-JTBAAXDGWHRIAA_on_Q14416_WT,High,ChEMBL30,CHEMBL361248,CCCc1c(OCCCC(C)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,JTBAAXDGWHRIAA,JTBAAXDGWHRIAA-UHFFFAOYSA-N,"InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)30-14-5-7-15(2)31-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,11,28,2,8,3,9,15,22,14,23,25,24,7,10,27,16,13,26,4,5,30,17,18,21,19,20,29,31,6,12/E:(8,9)(10,11)(24,25)(26,27)/rA:31CCCCCOCCCCCOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s10;s12;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-JTDCETOEMIZIIQ_on_O00222_WT,High,ExCAPE-DB,9535142,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3nc(C)cs3)c(C)c2)cc1,JTDCETOEMIZIIQ,JTDCETOEMIZIIQ-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2S2/c1-12-10-27-20(21-12)23-13(2)9-18(14(23)3)19(25)11-26-17-7-5-16(6-8-17)22-15(4)24/h5-10H,11H2,1-4H3,(H,22,24)","""AuxInfo=1/1/N:20,24,15,1,6,27,7,26,25,21,10,19,23,14,2,5,8,13,11,17,18,4,16,3,12,9,22/E:(5,6)(7,8)/rA:27CCONCCCCSCCOCCCNCNCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;s19;d19;s17s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JTDCETOEMIZIIQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561788,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3nc(C)cs3)c(C)c2)cc1,JTDCETOEMIZIIQ,JTDCETOEMIZIIQ-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2S2/c1-12-10-27-20(21-12)23-13(2)9-18(14(23)3)19(25)11-26-17-7-5-16(6-8-17)22-15(4)24/h5-10H,11H2,1-4H3,(H,22,24)","""AuxInfo=1/1/N:20,24,15,1,6,27,7,26,25,21,10,19,23,14,2,5,8,13,11,17,18,4,16,3,12,9,22/E:(5,6)(7,8)/rA:27CCONCCCCSCCOCCCNCNCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;s19;d19;s17s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JTDCETOEMIZIIQ_on_Q14833_WT,High,ExCAPE-DB,9535142,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3nc(C)cs3)c(C)c2)cc1,JTDCETOEMIZIIQ,JTDCETOEMIZIIQ-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2S2/c1-12-10-27-20(21-12)23-13(2)9-18(14(23)3)19(25)11-26-17-7-5-16(6-8-17)22-15(4)24/h5-10H,11H2,1-4H3,(H,22,24)","""AuxInfo=1/1/N:20,24,15,1,6,27,7,26,25,21,10,19,23,14,2,5,8,13,11,17,18,4,16,3,12,9,22/E:(5,6)(7,8)/rA:27CCONCCCCSCCOCCCNCNCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;s19;d19;s17s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JTEGYPWWUFLNOI_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209433,CN(C)c1nccc(C=Cc2ccccc2)n1,JTEGYPWWUFLNOI,JTEGYPWWUFLNOI-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-17(2)14-15-11-10-13(16-14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3","""AuxInfo=1/0/N:1,3,14,13,15,12,16,10,9,7,6,11,8,4,5,17,2/E:(1,2)(4,5)(6,7)/rA:17CNCCNCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s11d15;s4d8;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-JTGPXCIJDIEQSX_on_P14867_WT,Low,ChEMBL30,CHEMBL44320,Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2=O)n1,JTGPXCIJDIEQSX,JTGPXCIJDIEQSX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,15,11,24,23,19,20,25,7,22,3,2,14,10,18,8,6,17,9,16,5,27,21,29,13,26,28,12,4/rA:29CCCSCCCCCCCONCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;s12;s9d13;s14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-JTGPXCIJDIEQSX_on_P18507_WT,Low,ChEMBL30,CHEMBL44320,Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2=O)n1,JTGPXCIJDIEQSX,JTGPXCIJDIEQSX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,15,11,24,23,19,20,25,7,22,3,2,14,10,18,8,6,17,9,16,5,27,21,29,13,26,28,12,4/rA:29CCCSCCCCCCCONCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;s12;s9d13;s14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.510;  8.340,8.425,0.085,0.085,2.0,8.425,0.085
-JTGPXCIJDIEQSX_on_P28472_WT,Low,ChEMBL30,CHEMBL44320,Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2=O)n1,JTGPXCIJDIEQSX,JTGPXCIJDIEQSX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,15,11,24,23,19,20,25,7,22,3,2,14,10,18,8,6,17,9,16,5,27,21,29,13,26,28,12,4/rA:29CCCSCCCCCCCONCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;s12;s9d13;s14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.340;  8.510,8.425,0.085,0.085,2.0,8.425,0.085
-JTGPXCIJDIEQSX_on_P34903_WT,Low,ChEMBL30,CHEMBL44320,Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2=O)n1,JTGPXCIJDIEQSX,JTGPXCIJDIEQSX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3","""AuxInfo=1/0/N:1,15,11,24,23,19,20,25,7,22,3,2,14,10,18,8,6,17,9,16,5,27,21,29,13,26,28,12,4/rA:29CCCSCCCCCCCONCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s10;s12;s9d13;s14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-JTHIYPHEWHYVLG_on_Q05586_WT,Medium,ChEMBL30,CHEMBL324584,C(#Cc1ccc2[nH]ncc2c1)CCN1CCC(Cc2ccccc2)CC1,JTHIYPHEWHYVLG,JTHIYPHEWHYVLG-UHFFFAOYSA-N,"InChI=1S/C23H25N3/c1-2-6-19(7-3-1)16-21-11-14-26(15-12-21)13-5-4-8-20-9-10-23-22(17-20)18-24-25-23/h1-3,6-7,9-10,17-18,21H,5,11-16H2,(H,24,25)","""AuxInfo=1/1/N:22,21,23,1,12,20,24,2,4,5,16,25,13,15,26,18,11,9,19,3,17,10,6,8,7,14/E:(2,3)(6,7)(11,12)(14,15)/rA:26CCCCCCNNCCCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s6s9;s3d10;s1;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.600;  4.020,5.31,1.29,1.29,2.0,5.31,1.29
-JTJMJGYZQZDUJJ_on_O15399_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752323;CHEMBL4686913;CHEMBL761030,PMID:9464369,1998.0,PMID:11495592;PMID:32248004;PMID:9464369,2001;2020;1998,0,0,0,1,0,,=,  7.820;  7.230;  7.640,7.563,0.247,0.175,3.0,7.64,0.18
-JTJMJGYZQZDUJJ_on_O60391_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4686913;CHEMBL761030;CHEMBL752323,PMID:9464369,1998.0,PMID:32248004;PMID:9464369;PMID:11495592,2020;1998;2001,0,0,0,1,0,,=,  7.230;  7.640;  7.820,7.563,0.247,0.175,3.0,7.64,0.18
-JTJMJGYZQZDUJJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030;CHEMBL752323;CHEMBL4686913,PMID:9464369,1998.0,PMID:9464369;PMID:11495592;PMID:32248004,1998;2001;2020,0,0,0,1,0,,=,  7.640;  7.820;  7.230,7.563,0.247,0.175,3.0,7.64,0.18
-JTJMJGYZQZDUJJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160;CHEMBL1764159;CHEMBL3636231;CHEMBL4686913;CHEMBL761030;CHEMBL752323,PMID:9464369,1998.0,PMID:21334205;PMID:21334205;PMID:26430967;PMID:32248004;PMID:9464369;PMID:11495592,2011;2011;2015;2020;1998;2001,1;1;1;0;0;0,0,0,0;0;0;1;1;1,0,,=,  6.400;  5.900;  7.930;  7.230;  7.640;  7.820,7.153,0.7559999999999999,0.33799999999999997,6.0,7.435,0.44
-JTJMJGYZQZDUJJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160;CHEMBL3636231;CHEMBL761030;CHEMBL4686913;CHEMBL752323,PMID:9464369,1998.0,PMID:21334205;PMID:26430967;PMID:9464369;PMID:32248004;PMID:11495592,2011;2015;1998;2020;2001,1;1;0;0;0,0,0,0;0;1;1;1,0,,=,  6.400;  7.930;  7.640;  7.230;  7.820,7.404,0.556,0.278,5.0,7.64,0.29
-JTJMJGYZQZDUJJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030;CHEMBL752323;CHEMBL1764159;CHEMBL4686913,PMID:9464369,1998.0,PMID:9464369;PMID:11495592;PMID:21334205;PMID:32248004,1998;2001;2011;2020,0;0;1;0,0,0,1;1;0;1,0,,=,  7.640;  7.820;  5.900;  7.230,7.147,0.7509999999999999,0.434,4.0,7.435,0.295
-JTJMJGYZQZDUJJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL275528,c1ccc(C2(N3CCCCC3)CCCCC2)cc1,JTJMJGYZQZDUJJ,JTJMJGYZQZDUJJ-UHFFFAOYSA-N,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2","""AuxInfo=1/0/N:1,14,9,2,18,13,15,8,10,3,17,12,16,7,11,4,5,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:18CCCCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752323;CHEMBL761030;CHEMBL4686913,PMID:9464369,1998.0,PMID:11495592;PMID:9464369;PMID:32248004,2001;1998;2020,0,0,0,1,0,,=,  7.820;  7.640;  7.230,7.563,0.247,0.175,3.0,7.64,0.18
-JTMQTEDUASKITJ_on_P41594_WT,High,ChEMBL30,CHEMBL3702362,COc1cccc2c1CCN1C(=O)CN=C(c3ccc(C)o3)C=C21,JTMQTEDUASKITJ,JTMQTEDUASKITJ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-12-6-7-18(24-12)15-10-16-13-4-3-5-17(23-2)14(13)8-9-21(16)19(22)11-20-15/h3-7,10H,8-9,11H2,1-2H3","""AuxInfo=1/0/N:21,1,5,6,4,19,18,9,10,23,14,20,7,8,16,24,3,17,12,15,11,13,2,22/rA:24COCCCCCCCCNCOCNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s17s20;s16;s7s11w?23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-JTMQTEDUASKITJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702362,COc1cccc2c1CCN1C(=O)CN=C(c3ccc(C)o3)C=C21,JTMQTEDUASKITJ,JTMQTEDUASKITJ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-12-6-7-18(24-12)15-10-16-13-4-3-5-17(23-2)14(13)8-9-21(16)19(22)11-20-15/h3-7,10H,8-9,11H2,1-2H3","""AuxInfo=1/0/N:21,1,5,6,4,19,18,9,10,23,14,20,7,8,16,24,3,17,12,15,11,13,2,22/rA:24COCCCCCCCCNCOCNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s17s20;s16;s7s11w?23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JTQDBIFZWJTIIQ_on_O00591_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_O14764_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P18505_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P31644_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P34903_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P47869_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P47870_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P48169_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_P78334_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQDBIFZWJTIIQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL358147,O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12,JTQDBIFZWJTIIQ,JTQDBIFZWJTIIQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-5-3-4-11(8-12)9-20-17(22)16(21)14-10-19-15-7-2-1-6-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,8,16,3,13,1/rA:22OCNCCCCClCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JTQJBIZGHVWFJM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3928211,CN(CC(N)=O)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,JTQJBIZGHVWFJM,JTQJBIZGHVWFJM-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-25(11-19(22)26)10-12-2-7-15-16(13-3-5-14(21)6-4-13)9-18(20(23)27)24-17(15)8-12/h2-9H,10-11H2,1H3,(H2,22,26)(H2,23,27)","""AuxInfo=1/1/N:1,9,14,19,15,18,10,27,20,7,3,8,13,16,11,12,26,21,4,22,17,5,23,25,2,6,24/E:(3,4)(5,6)/rA:27CNCCNOCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;s4;d4;s2;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-JTQQAUUXILBSCS_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155863;CHEMBL1094460,CCCCCCC1CN(c2ccc(N)cc2)C(=O)O1,JTQQAUUXILBSCS,JTQQAUUXILBSCS-UHFFFAOYSA-N,"InChI=1S/C15H22N2O2/c1-2-3-4-5-6-14-11-17(15(18)19-14)13-9-7-12(16)8-10-13/h7-10,14H,2-6,11,16H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,12,15,11,16,8,13,10,7,17,14,9,18,19/E:(7,8)(9,10)/rA:19CCCCCCCCNCCCCNCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  5.231;  5.230,5.231,0.0,0.0,2.0,5.231,0.0
-JTRKASCTFFUEOZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078780,COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21,JTRKASCTFFUEOZ,JTRKASCTFFUEOZ-UHFFFAOYSA-N,"InChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:13,1,8,7,4,15,18,10,12,3,5,6,14,20,19,11,17,9,16,2/rA:20COCCCCCCNCNCCCCNNCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-JTRKASCTFFUEOZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078780,COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21,JTRKASCTFFUEOZ,JTRKASCTFFUEOZ-UHFFFAOYSA-N,"InChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:13,1,8,7,4,15,18,10,12,3,5,6,14,20,19,11,17,9,16,2/rA:20COCCCCCCNCNCCCCNNCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-JTRKASCTFFUEOZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078780,COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21,JTRKASCTFFUEOZ,JTRKASCTFFUEOZ-UHFFFAOYSA-N,"InChI=1S/C14H13N5O/c1-9-13-6-19-14(15-7-17-19)11-5-10(20-2)3-4-12(11)18(13)8-16-9/h3-5,7-8H,6H2,1-2H3","""AuxInfo=1/0/N:13,1,8,7,4,15,18,10,12,3,5,6,14,20,19,11,17,9,16,2/rA:20COCCCCCCNCNCCCCNNCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-JTTXYNACSOASTF_on_O15399_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_O60391_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_Q05586_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_Q12879_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_Q13224_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTTXYNACSOASTF_on_Q14957_WT,Low,ChEMBL30,CHEMBL1205743,Nc1c(NCC(=O)O)c(=O)c1=O,JTTXYNACSOASTF,JTTXYNACSOASTF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O4/c7-3-4(6(12)5(3)11)8-1-2(9)10/h8H,1,7H2,(H,9,10)","""AuxInfo=1/1/N:5,6,2,3,11,9,1,4,7,8,12,10/E:(9,10)/rA:12NCCNCCOOCOCO/rB:s1;d2;s3;s4;s5;d6;s6;s3;d9;s2s9;d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-JTVUZIYJNUEZBC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912490,CCC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1,JTVUZIYJNUEZBC,JTVUZIYJNUEZBC-UHFFFAOYSA-N,"InChI=1S/C21H25N5O2/c1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14/h4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)","""AuxInfo=1/1/N:1,15,2,8,9,26,27,25,18,17,6,13,4,7,12,3,10,11,24,19,20,21,16,23,14,5,22,28/rA:28CCCCNCCCCCCCCNCNCCCCNONCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s14;s14;s12d16;d11;s18;s19;s20;d20;d19;s10s23;s7d24;s5;s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-JTXZUVZRBARKCD_on_P41594_WT,Low,ChEMBL30,CHEMBL202041,C(#Cc1csc(NCc2ccccc2)n1)c1cccnc1,JTXZUVZRBARKCD,JTXZUVZRBARKCD-UHFFFAOYSA-N,"InChI=1S/C17H13N3S/c1-2-5-14(6-3-1)12-19-17-20-16(13-21-17)9-8-15-7-4-10-18-11-15/h1-7,10-11,13H,12H2,(H,19,20)","""AuxInfo=1/1/N:12,11,13,18,10,14,17,1,2,19,21,8,4,9,16,3,6,20,7,15,5/E:(2,3)(5,6)/rA:21CCCCSCNCCCCCCCNCCCCNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s3d6;s1;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JTYYMOMTGZSRFM_on_P14867_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-JTYYMOMTGZSRFM_on_P18507_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.320;  7.310;  8.270;  7.520,7.355,0.696,0.402,4.0,7.415,0.48
-JTYYMOMTGZSRFM_on_P28472_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.270;  6.320;  7.310;  7.520,7.355,0.696,0.402,4.0,7.415,0.48
-JTYYMOMTGZSRFM_on_P31644_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-JTYYMOMTGZSRFM_on_P34903_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-JTYYMOMTGZSRFM_on_P47869_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-JTYYMOMTGZSRFM_on_Q16445_WT,Low,ChEMBL30,CHEMBL268262,COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1,JTYYMOMTGZSRFM,JTYYMOMTGZSRFM-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-25-20(24)18-10-16-15-9-14(21-11-13-5-3-2-4-6-13)7-8-17(15)23-19(16)12-22-18/h2-10,12,21,23H,11H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,22,23,12,25,15,7,16,13,11,24,10,5,8,3,14,6,9,4,2/E:(3,4)(5,6)/rA:25COCOCNCCNCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JTZQHJFWRXNBEQ_on_Q14416_WT,High,ChEMBL30,CHEMBL179171,CC(C)C1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cc(CSc3ccncc3)ccc1)c2,JTZQHJFWRXNBEQ,JTZQHJFWRXNBEQ-UHFFFAOYSA-N,"InChI=1S/C25H23Cl2NO2S/c1-15(2)20-11-18-12-21(23(26)24(27)22(18)25(20)29)30-13-16-4-3-5-17(10-16)14-31-19-6-8-28-9-7-19/h3-10,12,15,20H,11,13-14H2,1-2H3","""AuxInfo=1/0/N:1,3,29,30,28,23,27,24,26,18,5,31,16,20,2,17,19,6,22,4,14,7,12,10,8,13,11,25,9,15,21/E:(1,2)(6,7)(8,9)/rA:31CCCCCCCCOCClCClCOCCCCCSCCCNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;s12;s14;s15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;d19;s28;s17d29;s6d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-JUCVGSGREBJFCK_on_P14867_WT,Low,ChEMBL30,CHEMBL1814308,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NC)c1,JUCVGSGREBJFCK,JUCVGSGREBJFCK-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-5-7-14-11-17(20(22)18(12-14)21-3)15-9-10-19(23-4)16(13-15)8-6-2/h5-6,9-13,21-22H,1-2,7-8H2,3-4H3","""AuxInfo=1/0/N:1,16,22,12,2,15,3,14,8,9,5,23,17,4,7,13,6,20,10,18,21,19,11/rA:23CCCCCCCCCCOCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-JUCVGSGREBJFCK_on_P47870_WT,Low,ChEMBL30,CHEMBL1814308,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NC)c1,JUCVGSGREBJFCK,JUCVGSGREBJFCK-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-5-7-14-11-17(20(22)18(12-14)21-3)15-9-10-19(23-4)16(13-15)8-6-2/h5-6,9-13,21-22H,1-2,7-8H2,3-4H3","""AuxInfo=1/0/N:1,16,22,12,2,15,3,14,8,9,5,23,17,4,7,13,6,20,10,18,21,19,11/rA:23CCCCCCCCCCOCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-JUDSHKFKUQYRTJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3893078,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1,JUDSHKFKUQYRTJ,JUDSHKFKUQYRTJ-UHFFFAOYSA-N,"InChI=1S/C20H14BrFN4O/c21-19-10-26(11-24-19)9-12-1-6-15-16(13-2-4-14(22)5-3-13)8-18(20(23)27)25-17(15)7-12/h1-8,10-11H,9H2,(H2,23,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,25,5,18,24,20,17,7,10,14,6,26,4,22,2,23,11,1,21,27,19,3/E:(2,3)(4,5)/rA:27NCOCCCCCCCFCCCCCCCNCNCBrCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;s22;s19d22;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-JUELOSCDPSWDKO_on_P18507_WT,Low,ChEMBL30,CHEMBL1783264,COc1cc(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c(OC)cc1,JUELOSCDPSWDKO,JUELOSCDPSWDKO-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-22(10-5-11-22)24-21(27)20-18(23)15-7-4-6-14(19(15)25-26-20)16-12-13(28-2)8-9-17(16)29-3/h4,6-9,12H,5,10-11H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:18,1,27,8,20,7,9,29,28,19,21,4,3,6,10,5,25,11,24,13,14,17,12,16,23,22,15,2,26/E:(10,11)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;s19;s17s20;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-JUELOSCDPSWDKO_on_P28472_WT,Low,ChEMBL30,CHEMBL1783264,COc1cc(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c(OC)cc1,JUELOSCDPSWDKO,JUELOSCDPSWDKO-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-22(10-5-11-22)24-21(27)20-18(23)15-7-4-6-14(19(15)25-26-20)16-12-13(28-2)8-9-17(16)29-3/h4,6-9,12H,5,10-11H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:18,1,27,8,20,7,9,29,28,19,21,4,3,6,10,5,25,11,24,13,14,17,12,16,23,22,15,2,26/E:(10,11)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;s19;s17s20;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-JUELOSCDPSWDKO_on_P47869_WT,Low,ChEMBL30,CHEMBL1783264,COc1cc(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c(OC)cc1,JUELOSCDPSWDKO,JUELOSCDPSWDKO-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-22(10-5-11-22)24-21(27)20-18(23)15-7-4-6-14(19(15)25-26-20)16-12-13(28-2)8-9-17(16)29-3/h4,6-9,12H,5,10-11H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:18,1,27,8,20,7,9,29,28,19,21,4,3,6,10,5,25,11,24,13,14,17,12,16,23,22,15,2,26/E:(10,11)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;s19;s17s20;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-JUEPWZSXQYFPDF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010880,c1ccc(-c2nc3c(cccc3CN3CCCCC3)[nH]2)cc1,JUEPWZSXQYFPDF,JUEPWZSXQYFPDF-UHFFFAOYSA-N,"InChI=1S/C19H21N3/c1-3-8-15(9-4-1)19-20-17-11-7-10-16(18(17)21-19)14-22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-14H2,(H,20,21)","""AuxInfo=1/1/N:1,17,2,22,16,18,10,3,21,11,9,15,19,13,4,12,8,7,5,20,6,14/E:(3,4)(5,6)(8,9)(12,13)/rA:22CCCCCNCCCCCCCNCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;s16;s17;s14s18;s5s8;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-JUEPWZSXQYFPDF_on_Q13224_WT,High,ChEMBL30,CHEMBL2010880,c1ccc(-c2nc3c(cccc3CN3CCCCC3)[nH]2)cc1,JUEPWZSXQYFPDF,JUEPWZSXQYFPDF-UHFFFAOYSA-N,"InChI=1S/C19H21N3/c1-3-8-15(9-4-1)19-20-17-11-7-10-16(18(17)21-19)14-22-12-5-2-6-13-22/h1,3-4,7-11H,2,5-6,12-14H2,(H,20,21)","""AuxInfo=1/1/N:1,17,2,22,16,18,10,3,21,11,9,15,19,13,4,12,8,7,5,20,6,14/E:(3,4)(5,6)(8,9)(12,13)/rA:22CCCCCNCCCCCCCNCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;s16;s17;s14s18;s5s8;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-JUFSRROJKRHALC_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2338578;CHEMBL2338577;CHEMBL2338578;CHEMBL2338579;66553219,Cc1nc(C(=O)NC2CCCC3(CN=C(c4cc(Cl)ccc4)O3)C2)ccc1,JUFSRROJKRHALC,JUFSRROJKRHALC-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O2/c1-14-5-2-9-18(24-14)19(26)25-17-8-4-10-21(12-17)13-23-20(27-21)15-6-3-7-16(22)11-15/h2-3,5-7,9,11,17H,4,8,10,12-13H2,1H3,(H,25,26)","""AuxInfo=1/1/N:1,26,21,10,27,22,20,9,25,11,17,24,13,2,16,18,8,4,5,15,12,19,14,3,7,6,23/rA:27CCNCCONCCCCCCNCCCCClCCCOCCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s13;w?14;s15;d16;s17;s18;d18;s20;s16d21;s12s15;s8s12;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;CHEMBL2343304;CHEMBL2343304;CHEMBL2343304;PubChemAID:729738,PubChemAID:729738,2013.0,PMID:23357634;PMID:23357634;PMID:23357634;PMID:23357634;PubChemAID:729738,2013,1;1;1;1;0,0,0,0,0;0;0;0;1,,=,  5.280;  5.820;  7.140;  7.640;  5.822,6.34,0.894,0.447,5.0,5.822,0.542
-JUGQOUNGDNLTIU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258461,NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCNC3)sc2c1CCCC2,JUGQOUNGDNLTIU,JUGQOUNGDNLTIU-UHFFFAOYSA-N,"InChI=1S/C18H20F3N5O2S/c19-18(20,21)15-10-7-23-6-5-11(10)26(25-15)8-13(27)24-17-14(16(22)28)9-3-1-2-4-12(9)29-17/h23H,1-8H2,(H2,22,28)(H,24,27)","""AuxInfo=1/1/N:27,28,26,29,19,20,22,9,25,17,18,24,7,4,12,2,5,13,14,15,16,1,21,6,11,10,8,3,23/E:(19,20,21)/rA:29NCOCCNCOCNNCCFFFCCCCNCSCCCCCC/rB:s1;d2;s2;d4;s5;s6;d7;s7;s9;s10;d11;s12;s13;s13;s13;s12;s10d17;s18;s19;s20;s17s21;s5;s23;s4d24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-JUHUHGJBJWKWSA_on_P41594_WT,Medium,ChEMBL30,CHEMBL42663;CHEMBL44296,NC1(C(=O)O)CC(n2oc(=O)[nH]c2=O)C1,JUHUHGJBJWKWSA,JUHUHGJBJWKWSA-UHFFFAOYSA-N,"InChI=1S/C7H9N3O5/c8-7(4(11)12)1-3(2-7)10-5(13)9-6(14)15-10/h3H,1-2,8H2,(H,11,12)(H,9,13,14)","""AuxInfo=1/1/N:6,15,7,3,13,10,2,1,12,8,4,5,14,11,9/E:(1,2)(11,12)/rA:15NCCOOCCNOCONCOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s8s12;d13;s2s7;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL818798,PMID:10229632,1999.0,PMID:10229632,1999,0,1,0,0,0,,=,  4.960;  4.310,4.635,0.325,0.325,2.0,4.635,0.325
-JUNLOSOXNSBSNV_on_P18507_WT,Low,ChEMBL30,CHEMBL209556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1,JUNLOSOXNSBSNV,JUNLOSOXNSBSNV-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.550,9.55,0.0,0.0,1.0,9.55,0.0
-JUNLOSOXNSBSNV_on_P28472_WT,Low,ChEMBL30,CHEMBL209556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1,JUNLOSOXNSBSNV,JUNLOSOXNSBSNV-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.550,9.55,0.0,0.0,1.0,9.55,0.0
-JUNLOSOXNSBSNV_on_P34903_WT,Low,ChEMBL30,CHEMBL209556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1,JUNLOSOXNSBSNV,JUNLOSOXNSBSNV-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.550,9.55,0.0,0.0,1.0,9.55,0.0
-JURLUSLCZRWYJQ_on_O15399_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_O60391_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JURLUSLCZRWYJQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193048,NC(CCCCc1n[nH]nn1)C(=O)O,JURLUSLCZRWYJQ,JURLUSLCZRWYJQ-UHFFFAOYSA-N,"InChI=1S/C7H13N5O2/c8-5(7(13)14)3-1-2-4-6-9-11-12-10-6/h5H,1-4,8H2,(H,13,14)(H,9,10,11,12)","""AuxInfo=1/1/N:4,5,3,6,2,7,12,1,8,11,9,10,13,14/E:(9,10)(11,12)(13,14)/rA:14NCCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s7d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JUYPGMXDWAZXFL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107497,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CO)c3)n2)cc(C)n1,JUYPGMXDWAZXFL,JUYPGMXDWAZXFL-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O3/c1-13-8-17(9-14(2)26-13)21-19-6-7-30-15(3)11-28(19)22(27-21)16-4-5-20(31-23(24)25)18(10-16)12-29/h4-5,8-10,15,23,29H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,24,2,29,10,15,4,23,6,18,5,14,20,21,22,31,27,13,25,9,19/E:(1,2)(8,9)(13,14)(24,25)/rA:31CCCCCCCCOCCCNCCCCCOCFFCCOCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s24;s15d23;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-JUZADFGLEUTGPB_on_P41594_WT,High,ChEMBL30,CHEMBL1705644,O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccccc1,JUZADFGLEUTGPB,JUZADFGLEUTGPB-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)18-19-17(20-23-18)13-7-3-1-4-8-13/h1-10,14H,11-12H2","""AuxInfo=1/0/N:11,21,10,12,20,22,9,13,19,23,3,16,8,4,18,2,7,5,6,14,17,1,15/E:(3,4)(5,6)(7,8)(9,10)/rA:23OCCCCNCCCCCCCNOCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s4;s2s16;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-JVBQCYDCVICGTQ_on_P18507_WT,Low,ChEMBL30,CHEMBL196905,N#Cc1cc(-c2cc(-c3ccc(F)cc3)nnc2)ccc1,JVBQCYDCVICGTQ,JVBQCYDCVICGTQ-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H","""AuxInfo=1/0/N:20,21,19,10,15,11,14,4,7,2,18,3,9,5,6,12,8,13,1,17,16/E:(4,5)(6,7)/rA:21NCCCCCCCCCCCFCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;s6d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.850;  7.580,7.715,0.135,0.135,2.0,7.715,0.135
-JVBQCYDCVICGTQ_on_P28472_WT,Low,ChEMBL30,CHEMBL196905,N#Cc1cc(-c2cc(-c3ccc(F)cc3)nnc2)ccc1,JVBQCYDCVICGTQ,JVBQCYDCVICGTQ-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H","""AuxInfo=1/0/N:20,21,19,10,15,11,14,4,7,2,18,3,9,5,6,12,8,13,1,17,16/E:(4,5)(6,7)/rA:21NCCCCCCCCCCCFCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;s6d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.580;  7.850,7.715,0.135,0.135,2.0,7.715,0.135
-JVBQCYDCVICGTQ_on_P31644_WT,Low,ChEMBL30,CHEMBL196905,N#Cc1cc(-c2cc(-c3ccc(F)cc3)nnc2)ccc1,JVBQCYDCVICGTQ,JVBQCYDCVICGTQ-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H","""AuxInfo=1/0/N:20,21,19,10,15,11,14,4,7,2,18,3,9,5,6,12,8,13,1,17,16/E:(4,5)(6,7)/rA:21NCCCCCCCCCCCFCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;s6d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-JVBQCYDCVICGTQ_on_P34903_WT,Low,ChEMBL30,CHEMBL196905,N#Cc1cc(-c2cc(-c3ccc(F)cc3)nnc2)ccc1,JVBQCYDCVICGTQ,JVBQCYDCVICGTQ-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H","""AuxInfo=1/0/N:20,21,19,10,15,11,14,4,7,2,18,3,9,5,6,12,8,13,1,17,16/E:(4,5)(6,7)/rA:21NCCCCCCCCCCCFCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;s6d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JVJIBCPISWGYKC_on_P31644_WT,High,ChEMBL30,CHEMBL3681523,Cc1c(COc2ccc(C(=O)N3CCC(O)C3)cn2)c(-c2ccccc2)no1,JVJIBCPISWGYKC,JVJIBCPISWGYKC-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-14-18(20(23-28-14)15-5-3-2-4-6-15)13-27-19-8-7-16(11-22-19)21(26)24-10-9-17(25)12-24/h2-8,11,17,25H,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,8,7,14,13,18,17,4,2,21,9,15,3,6,20,10,19,27,12,16,11,5,28/E:(3,4)(5,6)/rA:28CCCCOCCCCCONCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s15;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JVJRXNFULOSTER_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,54582823;CHEMBL1779012,COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1,JVJRXNFULOSTER,JVJRXNFULOSTER-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,7,8,22,23,25,4,13,15,11,20,14,10,5,9,19,3,17,6,21,12,24,16,18,2/rA:25COCCCFCCCCCNCCCNCOCCNCCNC/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:598080;CHEMBL1781194,PMID:21524576,2011.0,PubChemAID:598080;PMID:21524576,2012;2011,0;1,0,0,0,1;0,,=,  6.582;  6.580,6.581,0.001,0.001,2.0,6.581,0.001
-JVQDQHUSQDBSFN_on_P14867_WT,Low,ChEMBL30,CHEMBL1814305,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1,JVQDQHUSQDBSFN,JVQDQHUSQDBSFN-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-4-6-13-10-16(19(21)17(11-13)20(22)23)14-8-9-18(24-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,22,23,11/E:(22,23)/CRV:20.5/rA:24CCCCCCCCCCOCCCCCCCOCN+OO-C/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;d21;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-JVQDQHUSQDBSFN_on_P47870_WT,Low,ChEMBL30,CHEMBL1814305,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1,JVQDQHUSQDBSFN,JVQDQHUSQDBSFN-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-4-6-13-10-16(19(21)17(11-13)20(22)23)14-8-9-18(24-3)15(12-14)7-5-2/h4-5,8-12,21H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,16,12,2,15,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,22,23,11/E:(22,23)/CRV:20.5/rA:24CCCCCCCCCCOCCCCCCCOCN+OO-C/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;d21;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-JVVSHHOPWMECGU_on_P31644_WT,High,ChEMBL30,CHEMBL3681444,O=C(NCCO)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,JVVSHHOPWMECGU,JVVSHHOPWMECGU-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O4/c20-13-4-1-11(2-5-13)16-14(17(30-26-16)19(21,22)23)10-29-15-6-3-12(9-25-15)18(28)24-7-8-27/h1-6,9,27H,7-8,10H2,(H,24,28)","""AuxInfo=1/1/N:23,28,8,24,27,9,4,5,30,12,22,7,25,13,10,21,14,2,15,26,16,17,18,3,29,20,6,1,11,19/E:(1,2)(4,5)(21,22,23)/rA:30OCNCCOCCCCOCCCCFFFONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s25;s22d27;s10;s7d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-JVWGWVFTODEEKJ_on_P41594_WT,High,ChEMBL30,CHEMBL402890,Cc1cn2cc(CN3CCNC(=O)C3)cc2c(C#Cc2ccccc2)n1,JVWGWVFTODEEKJ,JVWGWVFTODEEKJ-UHFFFAOYSA-N,"InChI=1S/C21H20N4O/c1-16-12-25-14-18(13-24-10-9-22-21(26)15-24)11-20(25)19(23-16)8-7-17-5-3-2-4-6-17/h2-6,11-12,14H,9-10,13,15H2,1H3,(H,22,26)","""AuxInfo=1/1/N:1,23,22,24,21,25,19,18,10,9,15,3,7,5,14,2,20,6,17,16,12,11,26,8,4,13/E:(3,4)(5,6)/rA:26CCCNCCCNCCNCOCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s8s12;s6;s4d15;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-JVXZRQGOGOXCEC_on_O00591_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_O14764_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P14867_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P18505_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P18507_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P28472_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P31644_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P34903_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P47869_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P47870_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P48169_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_P78334_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_Q16445_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVXZRQGOGOXCEC_on_Q99928_WT,Low,ChEMBL30,CHEMBL55415,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2,JVXZRQGOGOXCEC,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H","""AuxInfo=1/0/N:6,11,7,10,3,21,5,8,2,19,4,13,14,17,15,9,1,20,18,16,12/E:(1,2)(3,4)/rA:21OCCCCCCCOCCOCCCOCOCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s17;s19;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-JVYVFTIZPYYVRS_on_O15399_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_O60391_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_Q05586_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_Q12879_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_Q13224_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JVYVFTIZPYYVRS_on_Q14957_WT,Low,ChEMBL30,CHEMBL79145,ON=C(NC1CCCCC1)NC1CCCCC1,JVYVFTIZPYYVRS,JVYVFTIZPYYVRS-UHFFFAOYSA-N,"InChI=1S/C13H25N3O/c17-16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H2,14,15,16)","""AuxInfo=1/1/N:8,15,7,9,14,16,6,10,13,17,5,12,3,4,11,2,1/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:17ONCNCCCCCCNCCCCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s5s9;s3;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JWAPZTBXKGEHLZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3979037,CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1,JWAPZTBXKGEHLZ,JWAPZTBXKGEHLZ-UHFFFAOYSA-N,"InChI=1S/C20H18F2N2O/c1-20(2)9-10-24(19(25)12-20)18-8-4-14(13-23-18)3-5-15-11-16(21)6-7-17(15)22/h4,6-8,11,13H,9-10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,11,9,12,17,18,8,4,5,14,25,21,10,13,15,19,7,23,2,16,20,22,6,24/E:(1,2)/rA:25CCCCCNCCCCCCCCCFCCCFCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;s15;d15;s17;s13d18;s19;s10;s7d21;s6;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-JWASUIOXPVZCDA_on_Q14416_WT,High,ChEMBL30,CHEMBL3885097,Clc1cccc(COc2c(Cl)c3nnc(CC4CC4)n3cc2)c1,JWASUIOXPVZCDA,JWASUIOXPVZCDA-UHFFFAOYSA-N,"InChI=1S/C17H15Cl2N3O/c18-13-3-1-2-12(8-13)10-23-14-6-7-22-15(9-11-4-5-11)20-21-17(22)16(14)19/h1-3,6-8,11H,4-5,9-10H2","""AuxInfo=1/0/N:4,5,3,18,19,22,21,23,16,7,17,6,2,9,15,10,12,1,11,14,13,20,8/E:(4,5)/rA:23ClCCCCCCOCCClCNNCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWCSZYROKFVMOU_on_Q13224_WT,Medium,ChEMBL30,CHEMBL569802,N#Cc1c2C=Cc3c(cc(N4CCCCC4)cn3)C(O)c2ccc1,JWCSZYROKFVMOU,JWCSZYROKFVMOU-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c21-12-14-5-4-6-17-16(14)7-8-19-18(20(17)24)11-15(13-22-19)23-9-2-1-3-10-23/h4-8,11,13,20,24H,1-3,9-10H2","""AuxInfo=1/0/N:14,13,15,23,24,22,5,6,12,16,9,2,17,3,10,4,21,8,7,19,1,18,11,20/E:(2,3)(9,10)/rA:24NCCCCCCCCCNCCCCCCNCOCCCC/rB:t1;s2;d3;s4;w?5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s11s15;s10;s7d17;s8;s19;s4s19;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047321,PMID:19648007,2009.0,PMID:19648007,2009,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JWEFSMCSCPCKJT_on_P41594_WT,High,ChEMBL30,CHEMBL2164548,N#Cc1cc(F)cc(-c2nc(-c3ncccn3)no2)c1,JWEFSMCSCPCKJT,JWEFSMCSCPCKJT-UHFFFAOYSA-N,InChI=1S/C13H6FN5O/c14-10-5-8(7-15)4-9(6-10)13-18-12(19-20-13)11-16-2-1-3-17-11/h1-6H,"""AuxInfo=1/0/N:15,14,16,20,4,7,2,3,8,5,12,11,9,6,1,13,17,10,18,19/E:(2,3)(16,17)/rA:20NCCCCFCCCNCCNCCCNNOC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-JWEVQBSNKUBXKJ_on_O15399_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_O60391_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWEVQBSNKUBXKJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL42057,O=Nc1c(O)c2c(cccc2Cl)nc1O,JWEVQBSNKUBXKJ,JWEVQBSNKUBXKJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-2-1-3-5-6(4)8(13)7(12-15)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,10,8,11,7,6,3,4,14,12,13,2,5,15,1/rA:15ONCCOCCCCCCClNCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s6d10;s11;s7;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-JWJMJKSGYPCRTH_on_P41594_WT,High,ChEMBL30,CHEMBL3122215,Cc1c(-c2nn(C)c3nc(OCc4ccccn4)cnc23)cncc1Cl,JWJMJKSGYPCRTH,JWJMJKSGYPCRTH-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:1,7,15,16,14,17,22,24,19,12,2,13,3,25,10,4,21,8,26,23,18,20,9,5,6,11/rA:26CCCCNNCCNCOCCCCCCNCNCCNCCCl/rB:s1;d2;s3;d4;s5;s6;s6;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s19;s4s8d20;s3;d22;s23;s2d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-JWLCOGXPTWMMDY_on_O00591_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_O14764_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P14867_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P18505_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P18507_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P28472_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P31644_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P34903_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P47869_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P47870_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P48169_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_P78334_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_Q16445_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWLCOGXPTWMMDY_on_Q99928_WT,Low,ChEMBL30,CHEMBL157109,O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,JWLCOGXPTWMMDY,JWLCOGXPTWMMDY-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O4/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)24-8-10-2-1-5-23-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,9,3/CRV:20.5/rA:24OCOCCCCCOCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-JWODBROOGAIDRT_on_P18507_WT,Low,ChEMBL30,CHEMBL378761,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cscc1,JWODBROOGAIDRT,JWODBROOGAIDRT-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,28,22,7,26,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8,27/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCSCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;s25d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-JWODBROOGAIDRT_on_P28472_WT,Low,ChEMBL30,CHEMBL378761,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cscc1,JWODBROOGAIDRT,JWODBROOGAIDRT-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,28,22,7,26,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8,27/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCSCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;s25d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-JWODBROOGAIDRT_on_P34903_WT,Low,ChEMBL30,CHEMBL378761,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cscc1,JWODBROOGAIDRT,JWODBROOGAIDRT-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,28,22,7,26,4,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,8,27/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCSCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;s25d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-JWQHITCPERLYAN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3892501,COC(=O)C1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,JWQHITCPERLYAN,JWQHITCPERLYAN-UHFFFAOYSA-N,"InChI=1S/C23H22FN3O3/c1-30-23(29)21-3-2-10-27(21)13-14-4-9-17-18(15-5-7-16(24)8-6-15)12-20(22(25)28)26-19(17)11-14/h4-9,11-12,21H,2-3,10,13H2,1H3,(H2,25,28)","""AuxInfo=1/1/N:1,7,6,12,17,22,18,21,13,8,30,23,10,11,16,19,14,15,29,24,5,25,3,20,26,28,9,27,4,2/E:(5,6)(7,8)/rA:30COCOCCCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;d15;s23;s24;s25;d25;d24;s14s28;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-JWQKUQDLRNRHOC_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,76322144;CHEMBL3133887,COc1c(-c2ccc(I)cc2)cc2NC(=O)CC(c3cccc(-n4ccnc4)c3)=Nc2c1,JWQKUQDLRNRHOC,JWQKUQDLRNRHOC-UHFFFAOYSA-N,"InChI=1S/C25H19IN4O2/c1-32-24-13-23-22(12-20(24)16-5-7-18(26)8-6-16)29-25(31)14-21(28-23)17-3-2-4-19(11-17)30-10-9-27-15-30/h2-13,15H,14H2,1H3,(H,29,31)","""AuxInfo=1/1/N:1,21,20,22,6,11,7,10,26,25,29,12,32,17,28,5,19,8,23,4,18,13,31,3,15,9,27,30,14,24,16,2/E:(5,6)(7,8)/rA:32COCCCCCCICCCCNCOCCCCCCCNCCNCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s13;s14;d15;s15;s17;s18;d19;s20;d21;s22;s23;s24;d25;s26;s24d27;s19d23;w?18;s13s30;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:1077552;CHEMBL3137095,DOI:10.1039/C3MD00110E,2013.0,PubChemAID:1077552;DOI:10.1039/C3MD00110E,2014;2013,0;1,0,0,0,1;0,,=,  7.051;  7.050,7.05,0.0,0.0,2.0,7.05,0.001
-JWROJMWCABTNDS_on_O15399_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JWROJMWCABTNDS_on_O60391_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JWROJMWCABTNDS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JWROJMWCABTNDS_on_Q05586_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420;  5.820;  6.770,6.67,0.657,0.465,3.0,6.77,0.65
-JWROJMWCABTNDS_on_Q12879_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420;  6.770,7.095,0.325,0.325,2.0,7.095,0.325
-JWROJMWCABTNDS_on_Q13224_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420;  5.820,6.62,0.8,0.8,2.0,6.62,0.8
-JWROJMWCABTNDS_on_Q14957_WT,Low,ChEMBL30,CHEMBL276670,O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12,JWROJMWCABTNDS,JWROJMWCABTNDS-UHFFFAOYSA-N,"InChI=1S/C22H20N3O5P/c26-20-21(27)24-19-16(12-7-13-17(19)23-20)22(31(28,29)30)25-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18,22,25H,(H,23,26)(H,24,27)(H2,28,29,30)","""AuxInfo=1/1/N:11,17,10,12,16,18,22,9,13,15,19,21,23,8,14,20,24,7,31,26,28,5,25,30,6,27,29,1,3,4,2/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(28,29,30)/rA:31OPOOCNCCCCCCCCCCCCCCCCCCNCOCONC/rB:d1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s5;d20;s21;d22;s23;d24;s25;s26;d26;s28;s28;s20s24d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-JWRVZDCQNNKRSK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3923798,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(C4CC4)nc2)c3F)cn1,JWRVZDCQNNKRSK,JWRVZDCQNNKRSK-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c1-29-12-16(11-27-29)18-9-20(23(25)30)28-22-17(18)6-5-15(21(22)24)8-13-2-7-19(26-10-13)14-3-4-14/h2,5-7,9-12,14H,3-4,8H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,19,23,24,15,14,20,17,6,26,29,3,18,22,16,4,13,5,21,7,27,12,8,28,9,25,30,11,2,10/E:(3,4)/rA:30CNCCCCCCNONCCCCCCCCCCCCCNCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s22s23;s21;s18d25;s12d16;s27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-JWSQDVPOPFGGEP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL181089;11531870,CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2ccccc2)cc1,JWSQDVPOPFGGEP,JWSQDVPOPFGGEP-UHFFFAOYSA-N,"InChI=1S/C21H25BrO4/c1-15(2)14-18(23)17-10-11-19(20(22)21(17)24)26-13-7-6-12-25-16-8-4-3-5-9-16/h3-5,8-11,15,24H,6-7,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,22,21,23,16,15,20,24,26,25,17,14,4,2,19,7,5,12,10,8,11,6,9,18,13/E:(1,2)(4,5)(8,9)/rA:26CCCCCOCCOCBrCOCCCCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s8;s10;d10;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-JWTPTEHWQUNGQF_on_P34903_WT,Medium,ChEMBL30,CHEMBL146488,Oc1nc2c(CN(c3ncccn3)CC2)c2nc(-c3c(F)cccc3)cn12,JWTPTEHWQUNGQF,JWTPTEHWQUNGQF-UHFFFAOYSA-N,"InChI=1S/C19H15FN6O/c20-14-5-2-1-4-12(14)16-11-26-17(23-16)13-10-25(18-21-7-3-8-22-18)9-6-15(13)24-19(26)27/h1-5,7-8,11H,6,9-10H2,(H,24,27)","""AuxInfo=1/1/N:24,23,11,25,22,15,10,12,14,6,26,19,5,20,4,18,16,8,2,21,9,13,17,3,7,27,1/E:(7,8)(21,22)/rA:27OCNCCCNCNCCCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JWTPTEHWQUNGQF_on_P47869_WT,Medium,ChEMBL30,CHEMBL146488,Oc1nc2c(CN(c3ncccn3)CC2)c2nc(-c3c(F)cccc3)cn12,JWTPTEHWQUNGQF,JWTPTEHWQUNGQF-UHFFFAOYSA-N,"InChI=1S/C19H15FN6O/c20-14-5-2-1-4-12(14)16-11-26-17(23-16)13-10-25(18-21-7-3-8-22-18)9-6-15(13)24-19(26)27/h1-5,7-8,11H,6,9-10H2,(H,24,27)","""AuxInfo=1/1/N:24,23,11,25,22,15,10,12,14,6,26,19,5,20,4,18,16,8,2,21,9,13,17,3,7,27,1/E:(7,8)(21,22)/rA:27OCNCCCNCNCCCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-JWTQJUQJIRWZLA_on_O00591_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_O14764_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P14867_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P18505_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P18507_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P28472_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P31644_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P34903_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P47869_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P47870_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P48169_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_P78334_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_Q16445_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWTQJUQJIRWZLA_on_Q99928_WT,Low,ChEMBL30,CHEMBL56414,O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2,JWTQJUQJIRWZLA,JWTQJUQJIRWZLA-UHFFFAOYSA-N,InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCClCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-JWWCPLDJCABVCP_on_Q13224_WT,High,ChEMBL30,CHEMBL247323,COc1ccccc1CN1Cc2c(ccc(OC(F)(F)F)c2)C1=N,JWWCPLDJCABVCP,JWWCPLDJCABVCP-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2O2/c1-23-15-5-3-2-4-11(15)9-22-10-12-8-13(24-17(18,19)20)6-7-14(12)16(22)21/h2-8,21H,9-10H2,1H3","""AuxInfo=1/0/N:1,6,5,7,4,15,14,22,9,11,8,12,16,13,3,23,18,19,20,21,24,10,2,17/E:(18,19,20)/rA:24COCCCCCCCNCCCCCCOCFFFCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s13;d14;s15;s16;s17;s18;s18;s18;s12d16;s10s13;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887786;CHEMBL887787,PMID:17498948,2007.0,PMID:17498948,2007,0;1,0,0,1;0,0,,=,  8.440;  8.230,8.335,0.105,0.105,2.0,8.335,0.105
-JWWDWRFQBGXCEK_on_P41594_WT,High,ChEMBL30,CHEMBL365403,Cc1nc(C#Cc2cccc(-c3ccccc3)c2)cs1,JWWDWRFQBGXCEK,JWWDWRFQBGXCEK-UHFFFAOYSA-N,"InChI=1S/C18H13NS/c1-14-19-18(13-20-14)11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-13H,1H3","""AuxInfo=1/0/N:1,15,14,16,9,8,13,17,10,6,5,18,19,2,7,12,11,4,3,20/E:(3,4)(7,8)/rA:20CCNCCCCCCCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-JWZNKJCEYMWLHS_on_O00591_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_O14764_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P14867_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P18505_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P18507_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P28472_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P31644_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P34903_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P47869_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P47870_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P48169_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_P78334_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_Q16445_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JWZNKJCEYMWLHS_on_Q99928_WT,Low,ChEMBL30,CHEMBL80756,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2,JWZNKJCEYMWLHS,JWZNKJCEYMWLHS-UHFFFAOYSA-N,"InChI=1S/C30H32N6O2/c1-38-15-14-35-13-5-8-24(35)16-21-19-31-27-11-10-25(18-26(21)27)36-20-32-28-17-23(9-12-29(28)36)34-30(37)33-22-6-3-2-4-7-22/h2-4,6-7,9-12,17-20,24,31H,5,8,13-16H2,1H3,(H2,33,34,37)","""AuxInfo=1/1/N:1,33,32,34,7,31,35,8,24,37,38,23,6,4,3,10,36,16,12,19,11,30,25,9,17,15,14,21,22,27,13,20,29,26,5,18,28,2/E:(3,4)(6,7)/rA:38COCCNCCCCCCCNCCCCNCNCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;s18d21;s22;d23;s24;s25;s26;d27;s27;s29;d30;s31;d32;s33;s30d34;s21d25;s17;s14d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-JXCZPDCFRCDQMV_on_Q14833_WT,High,ChEMBL30,CHEMBL4300337,CCn1nc(C2CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2,JXCZPDCFRCDQMV,JXCZPDCFRCDQMV-UHFFFAOYSA-N,"InChI=1S/C18H18N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-14-4-3-9-19-17(14)21-22-18/h3-4,7-11H,2,5-6H2,1H3,(H2,19,20,21,22)","""AuxInfo=1/1/N:1,2,17,16,7,8,23,24,18,11,6,12,9,15,10,5,20,14,19,13,21,22,4,3/E:(5,6)/rA:24CCNNCCCCCCCCNCCCCCNCNNCC/rB:s1;s2;s3;d4;s5;s6;s6s7;s5;s3d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-JXEREIQAZLYXOP_on_P14867_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-JXEREIQAZLYXOP_on_P18507_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-JXEREIQAZLYXOP_on_P28472_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-JXEREIQAZLYXOP_on_P31644_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-JXEREIQAZLYXOP_on_P34903_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-JXEREIQAZLYXOP_on_P47869_WT,Low,ChEMBL30,CHEMBL71006,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1,JXEREIQAZLYXOP,JXEREIQAZLYXOP-UHFFFAOYSA-N,"InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,15,17,11,7,12,14,5,4,13,3,8,18,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-JXGYQTATJDAVLF_on_P31644_WT,High,ChEMBL30,CHEMBL3676526,Cc1c(COc2ccc(C(=O)NCC3CCCOC3)cn2)c(-c2ccccc2)no1,JXGYQTATJDAVLF,JXGYQTATJDAVLF-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-16-20(22(26-30-16)18-7-3-2-4-8-18)15-29-21-10-9-19(13-24-21)23(27)25-12-17-6-5-11-28-14-17/h2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,26,25,27,16,15,24,28,8,7,17,13,20,19,4,2,14,23,9,3,6,22,10,21,12,29,11,18,5,30/E:(3,4)(7,8)/rA:30CCCCOCCCCCONCCCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-JXIFIARMNWESKW_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003231;CHEMBL1672232,COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl,JXIFIARMNWESKW,JXIFIARMNWESKW-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O3S/c1-25-15-10-11(21-17(24)18-20-8-9-26-18)6-7-14(15)22-16(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,22,23,21,24,14,15,11,12,4,5,20,25,16,3,18,7,9,26,10,6,17,19,8,2,13/rA:26COCCCNCOCNCCSCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;d5;s14;s3d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  6.203;  6.200,6.202000000000001,0.002,0.002,2.0,6.202000000000001,0.002
-JXIMEJZYABVNHK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960280,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C(F)F)Cn23)ccc1Cl,JXIMEJZYABVNHK,JXIMEJZYABVNHK-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O2/c1-12-8-15(9-13(2)26-12)20-17-6-7-30-19(21(24)25)11-28(17)22(27-20)14-4-5-16(23)18(10-14)29-3/h4-5,8-10,19,21H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:12,15,1,27,28,18,19,10,16,4,25,11,14,5,9,29,17,3,21,8,22,6,30,23,24,13,7,26,2,20/E:(1,2)(8,9)(12,13)(24,25)/rA:30COCCCCNCCCCCNCCCCCCOCCFFCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s22;s21;s6s17s25;d5;s27;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-JXOQKLKYTBKPPQ_on_P14867_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-JXOQKLKYTBKPPQ_on_P18507_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280;  6.960;  6.570;  8.280,7.272,0.634,0.366,4.0,7.12,0.355
-JXOQKLKYTBKPPQ_on_P28472_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960;  8.280;  7.280;  6.570,7.272,0.634,0.366,4.0,7.12,0.355
-JXOQKLKYTBKPPQ_on_P31644_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-JXOQKLKYTBKPPQ_on_P34903_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-JXOQKLKYTBKPPQ_on_P47869_WT,Low,ChEMBL30,CHEMBL426234,c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1,JXOQKLKYTBKPPQ,JXOQKLKYTBKPPQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-2-10-22-15(4-1)12-28-21-18-14-8-6-13(7-9-14)17(18)20-24-23-19(26(20)25-21)16-5-3-11-27-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:28,1,13,27,12,23,25,22,26,2,14,5,24,21,4,11,19,20,10,18,7,3,16,17,8,9,15,6/E:(6,7)(8,9)/rA:28CCNCCOCNNCCCCCONNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s11s14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-JXOUJFNSMCRWCE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3898483,O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ncccc1F,JXOUJFNSMCRWCE,JXOUJFNSMCRWCE-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O/c22-17-6-3-14-24-18(17)19(26)25-21-9-4-8-20(15-21,11-12-21)10-7-16-5-1-2-13-23-16/h1-3,5-6,13-14H,4,8-9,11-12,15H2,(H,25,26)","""AuxInfo=1/1/N:13,14,23,6,12,24,10,7,5,9,17,18,15,22,19,11,25,20,2,8,4,26,16,21,3,1/rA:26OCNCCCCCCCCCCCCNCCCCNCCCCF/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s4s17;s4s8;s2;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-JXTPFQLGVAHAGQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3971347,NC1(C(=O)O)C(OCc2ccc(Cl)cc2)C(O)C2C(C(=O)O)C21,JXTPFQLGVAHAGQ,JXTPFQLGVAHAGQ-UHFFFAOYSA-N,"InChI=1S/C15H16ClNO6/c16-7-3-1-6(2-4-7)5-23-12-11(18)8-9(13(19)20)10(8)15(12,17)14(21)22/h1-4,8-12,18H,5,17H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:10,15,11,14,8,9,12,18,19,23,16,6,20,3,2,13,1,17,21,22,4,5,7/E:(1,2)(3,4)(19,20)(21,22)/rA:23NCCOOCOCCCCCClCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s6;s16;s16;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-JXTPFQLGVAHAGQ_on_Q14832_WT,High,ChEMBL30,CHEMBL3971347,NC1(C(=O)O)C(OCc2ccc(Cl)cc2)C(O)C2C(C(=O)O)C21,JXTPFQLGVAHAGQ,JXTPFQLGVAHAGQ-UHFFFAOYSA-N,"InChI=1S/C15H16ClNO6/c16-7-3-1-6(2-4-7)5-23-12-11(18)8-9(13(19)20)10(8)15(12,17)14(21)22/h1-4,8-12,18H,5,17H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:10,15,11,14,8,9,12,18,19,23,16,6,20,3,2,13,1,17,21,22,4,5,7/E:(1,2)(3,4)(19,20)(21,22)/rA:23NCCOOCOCCCCCClCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s6;s16;s16;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-JXUGGUZOSJMFPY_on_P41594_WT,High,ChEMBL30,CHEMBL3633972,CC(=O)N1CCCn2nc(CN(C)c3ccccc3)cc12,JXUGGUZOSJMFPY,JXUGGUZOSJMFPY-UHFFFAOYSA-N,"InChI=1S/C16H20N4O/c1-13(21)19-9-6-10-20-16(19)11-14(17-20)12-18(2)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3","""AuxInfo=1/0/N:1,13,17,16,18,6,15,19,5,7,20,11,2,10,14,21,9,12,4,8,3/E:(4,5)(7,8)/rA:21CCONCCCNNCCNCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s12;d14;s15;d16;s17;s14d18;s10;s4s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.160;  6.150,6.155,0.005,0.005,2.0,6.155,0.005
-JXWYVYWNHDZNHQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL247890,O=C(Nc1ccc(Cl)cc1)c1cccc2c1nc(O)o2,JXWYVYWNHDZNHQ,JXWYVYWNHDZNHQ-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O3/c15-8-4-6-9(7-5-8)16-13(18)10-2-1-3-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:13,12,14,6,9,5,10,7,4,11,15,16,2,18,8,3,17,1,19,20/E:(4,5)(6,7)/rA:20OCNCCCCClCCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-JXYNOYAZWCDOBD_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771694,O=C(C1CCC1)N1CCCC1c1nc(-c2cc(Cl)ccc2)no1,JXYNOYAZWCDOBD,JXYNOYAZWCDOBD-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c18-13-7-2-6-12(10-13)15-19-16(23-20-15)14-8-3-9-21(14)17(22)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2","""AuxInfo=1/0/N:5,20,9,4,6,21,19,10,8,16,3,15,17,11,14,12,2,18,13,22,7,1,23/E:(4,5)/rA:23OCCCCCNCCCCCNCCCCClCCCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s7s10;s11;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JYCCCXGEVUVDRQ_on_P41594_WT,High,ChEMBL30,CHEMBL2349534,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1,JYCCCXGEVUVDRQ,JYCCCXGEVUVDRQ-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,21,11,23,24,22,14,19,15,18,2,20,13,16,4,8,12,6,17,3,5,9,10,7/E:(7,8)(9,10)/rA:24CCNCNCOCNNCCCCCCFCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s8d12;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-JYISLSJPMUEIFV_on_P41594_WT,Low,ChEMBL30,CHEMBL3597590,O=C(c1ccccc1-c1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1,JYISLSJPMUEIFV,JYISLSJPMUEIFV-UHFFFAOYSA-N,"InChI=1S/C22H20N4O3/c27-22(19-10-5-4-9-18(19)17-7-2-1-3-8-17)25-15-13-24(14-16-25)21-20(26(28)29)11-6-12-23-21/h1-12H,13-16H2","""AuxInfo=1/0/N:12,11,13,6,5,22,10,14,7,4,23,21,17,28,16,29,9,8,3,24,19,2,20,18,15,25,1,26,27/E:(2,3)(7,8)(13,14)(15,16)(28,29)/CRV:26.5/rA:29OCCCCCCCCCCCCCNCCNCNCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s9d13;s2;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;d25;s25;s18;s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JYJRDXWLEFJOEY_on_O15399_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JYJRDXWLEFJOEY_on_O60391_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JYJRDXWLEFJOEY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JYJRDXWLEFJOEY_on_Q05586_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220;  7.580,7.9,0.32,0.32,2.0,7.9,0.32
-JYJRDXWLEFJOEY_on_Q12879_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JYJRDXWLEFJOEY_on_Q13224_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.220;  7.580,7.9,0.32,0.32,2.0,7.9,0.32
-JYJRDXWLEFJOEY_on_Q14957_WT,Low,ChEMBL30,CHEMBL183142,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,JYJRDXWLEFJOEY,JYJRDXWLEFJOEY-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,11,16,1,15,10,20/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-JYJUDPKFZGHZRU_on_P41594_WT,High,ChEMBL30,CHEMBL3759766,O=C(Nc1cc(Cl)ncc1)c1c2CSc3c(ccc(F)c3Cl)-n2nn1,JYJUDPKFZGHZRU,JYJUDPKFZGHZRU-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2FN5OS/c16-11-5-7(3-4-19-11)20-15(24)13-10-6-25-14-9(23(10)22-21-13)2-1-8(18)12(14)17/h1-5H,6H2,(H,19,20,24)","""AuxInfo=1/1/N:18,17,10,9,5,13,4,19,16,12,6,21,11,15,2,7,22,20,8,3,25,24,23,1,14/rA:25OCNCCCClNCCCCCSCCCCCFCClNNN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s21;s12s16;s23;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3761226,PMID:26706173,2016.0,PMID:26706173,2016,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-JYKXGGXAKPOFML_on_P14867_WT,Low,ChEMBL30,CHEMBL470283,CCCCC(=O)c1c(O)c2c(cccc2)nc1,JYKXGGXAKPOFML,JYKXGGXAKPOFML-UHFFFAOYSA-N,"InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,14,13,15,12,4,17,10,7,11,5,8,16,6,9/rA:17CCCCCOCCOCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s10d14;s11;s7d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-JYKXGGXAKPOFML_on_P18507_WT,Low,ChEMBL30,CHEMBL470283,CCCCC(=O)c1c(O)c2c(cccc2)nc1,JYKXGGXAKPOFML,JYKXGGXAKPOFML-UHFFFAOYSA-N,"InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,14,13,15,12,4,17,10,7,11,5,8,16,6,9/rA:17CCCCCOCCOCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s10d14;s11;s7d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-JYKXGGXAKPOFML_on_P47870_WT,Low,ChEMBL30,CHEMBL470283,CCCCC(=O)c1c(O)c2c(cccc2)nc1,JYKXGGXAKPOFML,JYKXGGXAKPOFML-UHFFFAOYSA-N,"InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,14,13,15,12,4,17,10,7,11,5,8,16,6,9/rA:17CCCCCOCCOCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s10d14;s11;s7d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-JYOAOKHOTSVBOL_on_Q05586_WT,Low,ChEMBL30,CHEMBL345169,N=C(CCc1ccccc1)NCc1ccccc1,JYOAOKHOTSVBOL,JYOAOKHOTSVBOL-UHFFFAOYSA-N,"InChI=1S/C16H18N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-JYOAOKHOTSVBOL_on_Q13224_WT,Low,ChEMBL30,CHEMBL345169,N=C(CCc1ccccc1)NCc1ccccc1,JYOAOKHOTSVBOL,JYOAOKHOTSVBOL-UHFFFAOYSA-N,"InChI=1S/C16H18N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-JYPWGQLTJZXKLJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3936830,CC(=O)c1c(O)c(Cl)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1,JYPWGQLTJZXKLJ,JYPWGQLTJZXKLJ-UHFFFAOYSA-N,"InChI=1S/C21H16ClN5O4/c1-12(28)16-6-7-17(19(22)20(16)29)30-11-13-3-2-4-15(9-13)31-18-8-5-14(10-23-18)21-24-26-27-25-21/h2-10,29H,11H2,1H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,14,13,15,20,31,30,19,29,27,11,2,12,21,16,4,9,18,7,5,22,8,28,23,26,24,25,3,6,10,17/E:(24,25)(26,27)/rA:31CCOCCOCClCOCCCCCCOCCCCCNNNNCNCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;d22;s23;s24;s22d25;s21;s18d27;s12d16;s9;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-JYPYVYOWPYJHJE_on_P41594_WT,Low,ChEMBL30,CHEMBL2408580,Cc1ccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)cc1,JYPYVYOWPYJHJE,JYPYVYOWPYJHJE-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-9-17(2,3)15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,14,15,3,21,4,20,17,16,9,2,5,10,18,11,7,13,8,6,19,12/E:(2,3)(4,5)(6,7)/rA:21CCCCCNCNCCCOCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s11;s13;s13;s13;s16;s10s17;s7d18;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-JYQBFIUGGKNLDH_on_P14867_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-JYQBFIUGGKNLDH_on_P18507_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273615;CHEMBL1273619;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.400;  8.430;  6.590;  7.570,7.497999999999999,0.653,0.377,4.0,7.485,0.49
-JYQBFIUGGKNLDH_on_P28472_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.430;  7.570;  7.400;  6.590,7.497000000000001,0.653,0.377,4.0,7.485,0.49
-JYQBFIUGGKNLDH_on_P31644_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-JYQBFIUGGKNLDH_on_P34903_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-JYQBFIUGGKNLDH_on_P47869_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-JYQBFIUGGKNLDH_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269058,CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1,JYQBFIUGGKNLDH,JYQBFIUGGKNLDH-UHFFFAOYSA-N,"InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5/rA:19CCCCOCCCCCNNCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.602,5.602,0.0,0.0,1.0,5.602,0.0
-JYQOJKUGNOJOTB_on_P41594_WT,High,ChEMBL30,CHEMBL2151624,O=C(N1CCCC(F)C1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,JYQOJKUGNOJOTB,JYQOJKUGNOJOTB-UHFFFAOYSA-N,"InChI=1S/C17H18ClFN4O2/c18-13-4-1-3-11(7-13)15-20-16(25-21-15)12-8-23(9-12)17(24)22-6-2-5-14(19)10-22/h1,3-4,7,12,14H,2,5-6,8-10H2","""AuxInfo=1/0/N:18,5,17,19,6,4,22,11,25,9,16,12,20,7,15,13,2,21,8,14,23,3,10,1,24/E:(8,9)/rA:25OCNCCCCFCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s7;s3s7;s2;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-JYRRJDFICVOODX_on_P18507_WT,Low,ChEMBL30,CHEMBL35571,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,JYRRJDFICVOODX,JYRRJDFICVOODX-UHFFFAOYSA-N,"InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678746;CHEMBL681093;CHEMBL680670;CHEMBL678742;CHEMBL680433;CHEMBL999412;CHEMBL999413,PMID:14667209,2003.0,PMID:14667209;PMID:15006383;PMID:15006383;PMID:14667209;PMID:15006383;PMID:18790643;PMID:18790643,2003;2004;2004;2003;2004;2008;2008,0,0,0,1,0,,=,  7.820;  5.810;  7.820;  5.810;  6.070;  5.810;  7.820,6.709,0.966,0.39399999999999996,7.0,6.07,0.26
-JYRRJDFICVOODX_on_P28472_WT,Low,ChEMBL30,CHEMBL35571,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,JYRRJDFICVOODX,JYRRJDFICVOODX-UHFFFAOYSA-N,"InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681093;CHEMBL678742;CHEMBL678746;CHEMBL680433;CHEMBL680670;CHEMBL999412;CHEMBL999413,PMID:14667209,2003.0,PMID:15006383;PMID:14667209;PMID:14667209;PMID:15006383;PMID:15006383;PMID:18790643;PMID:18790643,2004;2003;2003;2004;2004;2008;2008,0,0,0,1,0,,=,  5.810;  5.810;  7.820;  6.070;  7.820;  5.810;  7.820,6.709,0.966,0.39399999999999996,7.0,6.07,0.26
-JYRRJDFICVOODX_on_P31644_WT,High,ExCAPE-DB,5255267,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)ncn-21,JYRRJDFICVOODX,JYRRJDFICVOODX-UHFFFAOYSA-N,"InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3","""AuxInfo=1/0/N:1,38,12,29,2,37,20,4,35,5,34,19,21,8,39,13,27,44,41,3,36,7,32,6,33,14,26,15,25,9,30,16,23,43,42,11,28,45,40,10,31,17,24,18,22/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCCONCCCCCOOCCCOCOCCCNCCOCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s20;s21;s22;d23;s23;d25;s26;s27;s28;s28;d30;s30;d32;s33;d34;s35;s36;t37;s32d36;s26s33;s40;s25d41;s15;d43;s6s14s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,PubChemAID:349345,PMID:14667209,2003.0,PubChemAID:349345,2010,0,0,0,0,1,,=,  7.824,7.824,0.0,0.0,1.0,7.824,0.0
-JYRRJDFICVOODX_on_P34903_WT,High,ChEMBL30,CHEMBL35571,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,JYRRJDFICVOODX,JYRRJDFICVOODX-UHFFFAOYSA-N,"InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:15006383,2004.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-JYRRJDFICVOODX_on_P48169_WT,Low,ChEMBL30,CHEMBL35571,C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O,JYRRJDFICVOODX,JYRRJDFICVOODX-UHFFFAOYSA-N,"InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3","""AuxInfo=1/0/N:1,35,43,26,2,34,17,8,32,7,31,16,18,4,36,41,24,10,38,3,33,5,29,6,30,40,23,12,22,44,27,13,20,11,39,42,25,9,37,45,28,14,21,15,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)/rA:45CCCCCCCCNCNCCOOCCCOCOCCCNCCOCCCCCCCCNCNCCNCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s25;s25;d27;s27;d29;s30;d31;s32;s33;t34;s29d33;s23s30;s37;s22d38;s9d12;s40;s41;s42;s5s42;d44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL999412;CHEMBL681093;CHEMBL678742,PMID:14667209,2003.0,PMID:18790643;PMID:15006383;PMID:14667209,2008;2004;2003,0,0,0,1,0,,=,  5.810;  5.810;  5.810,5.81,0.0,0.0,3.0,5.81,0.0
-JYTRCRINABXASK_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11269030;CHEMBL1629861,O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2c(cc(C(F)(F)F)cc2)N1,JYTRCRINABXASK,JYTRCRINABXASK-UHFFFAOYSA-N,"InChI=1S/C21H14F3N3O/c22-21(23,24)16-4-5-17-19(11-16)27-20(28)12-18(26-17)15-3-1-2-14(10-15)13-6-8-25-9-7-13/h1-11H,12H2,(H,27,28)","""AuxInfo=1/1/N:7,8,6,26,27,11,15,12,14,16,20,3,10,9,5,21,18,4,19,2,22,23,24,25,13,17,28,1/E:(6,7)(8,9)(22,23,24)/rA:28OCCCCCCCCCCCNCCCNCCCCCFFFCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s5d9;w?4;s17;d18;s19;d20;s21;s22;s22;s22;s21;s18d26;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:548400;CHEMBL1639554,PMID:20971004,2010.0,PubChemAID:548400;PMID:20971004,2011;2010,0;1,0,0,0,1;0,,=,  7.284;  7.280,7.282,0.002,0.002,2.0,7.282,0.002
-JYUBMXMQGZJQIM_on_P41594_WT,High,ChEMBL30,CHEMBL3655652,CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1,JYUBMXMQGZJQIM,JYUBMXMQGZJQIM-UHFFFAOYSA-N,"InChI=1S/C18H15BrN4O/c1-23(16-6-3-7-20-11-16)17-9-15(10-21-12-17)22-18(24)13-4-2-5-14(19)8-13/h2-12H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,5,18,20,4,6,23,24,12,8,10,17,21,13,3,9,15,22,7,11,14,2,16/rA:24CNCCCCNCCCNCCNCOCCCCCBrCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-JYWMNSYAIWOJGC_on_Q14416_WT,High,ChEMBL30,CHEMBL3956934,NC1(C(=O)O)C(Cc2cc(Cl)c(F)cc2)CC2C(C(=O)O)C21,JYWMNSYAIWOJGC,JYWMNSYAIWOJGC-UHFFFAOYSA-N,"InChI=1S/C15H15ClFNO4/c16-9-4-6(1-2-10(9)17)3-7-5-8-11(13(19)20)12(8)15(7,18)14(21)22/h1-2,4,7-8,11-12H,3,5,18H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:15,14,7,9,16,8,6,17,10,12,18,22,19,3,2,11,13,1,20,21,4,5/E:(19,20)(21,22)/rA:22NCCOOCCCCCClCFCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;s10;d10;s12;s12;s8d14;s6;s16;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4719941;CHEMBL3869551,PMID:27836401,2016.0,PMID:28002967;PMID:27836401,2016,1,0,0,0,0,,=,  6.390;  6.510,6.45,0.06,0.06,2.0,6.45,0.06
-JYWMNSYAIWOJGC_on_Q14832_WT,High,ChEMBL30,CHEMBL3956934,NC1(C(=O)O)C(Cc2cc(Cl)c(F)cc2)CC2C(C(=O)O)C21,JYWMNSYAIWOJGC,JYWMNSYAIWOJGC-UHFFFAOYSA-N,"InChI=1S/C15H15ClFNO4/c16-9-4-6(1-2-10(9)17)3-7-5-8-11(13(19)20)12(8)15(7,18)14(21)22/h1-2,4,7-8,11-12H,3,5,18H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:15,14,7,9,16,8,6,17,10,12,18,22,19,3,2,11,13,1,20,21,4,5/E:(19,20)(21,22)/rA:22NCCOOCCCCCClCFCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;s10;d10;s12;s12;s8d14;s6;s16;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4719942;CHEMBL3869550,PMID:27836401,2016.0,PMID:28002967;PMID:27836401,2016,1,0,0,0,0,,=,  6.960;  7.120,7.04,0.08,0.08,2.0,7.04,0.08
-JYXHNHBKWZQGLB_on_O00591_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_O14764_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P14867_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P18505_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P18507_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P28472_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P31644_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P34903_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P47869_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P47870_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P48169_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_P78334_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_Q16445_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JYXHNHBKWZQGLB_on_Q99928_WT,Low,ChEMBL30,CHEMBL75307,O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,JYXHNHBKWZQGLB,JYXHNHBKWZQGLB-UHFFFAOYSA-N,"InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)","""AuxInfo=1/1/N:8,7,9,6,10,18,17,23,4,14,5,19,24,13,16,11,2,15,3,20,12,1,21,22/E:(2,3)(4,5)(23,24)/CRV:20.5/rA:24OCNCCCCCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-JZJLCLDQBJRTGH_on_P41594_WT,High,ChEMBL30,CHEMBL3601912,Cc1ccc(Nc2c(Cl)cc(C(Cc3ccccc3)NC(=O)c3nccs3)cn2)cn1,JZJLCLDQBJRTGH,JZJLCLDQBJRTGH-UHFFFAOYSA-N,"InChI=1S/C23H20ClN5OS/c1-15-7-8-18(14-26-15)28-21-19(24)12-17(13-27-21)20(11-16-5-3-2-4-6-16)29-22(30)23-25-9-10-31-23/h2-10,12-14,20H,11H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,17,16,18,15,19,3,4,25,26,13,10,28,30,2,14,11,5,8,12,7,21,23,9,24,31,29,6,20,22,27/E:(3,4)(5,6)/rA:31CCCCCNCCClCCCCCCCCCCNCOCNCCSCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s20;d21;s21;d23;s24;d25;s23s26;s11;s7d28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-JZKUQLOOJQQEOC_on_P41594_WT,Low,ChEMBL30,CHEMBL245854,CCN(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1,JZKUQLOOJQQEOC,JZKUQLOOJQQEOC-UHFFFAOYSA-N,"InChI=1S/C22H18Cl3N3O2/c1-2-28(22(30)14-9-17(24)12-18(25)10-14)13-15-11-16(23)6-7-19(15)27-21(29)20-5-3-4-8-26-20/h3-12H,2,13H2,1H3,(H,27,29)","""AuxInfo=1/1/N:1,2,17,18,16,9,10,19,24,30,6,27,4,23,5,7,25,28,11,15,13,21,8,26,29,20,12,3,14,22/E:(9,10)(17,18)(24,25)/rA:30CCNCCCCClCCCNCOCCCCCNCOCCCClCCClC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s3;d21;s21;d23;s24;s25;d25;s27;s28;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  3.328,3.3280000000000003,0.0,0.0,1.0,3.3280000000000003,0.0
-JZQMRRNRLNOLIP_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830704,Cc1cnc(Nc2nc3c(CCc4c-3cn[nH]4)s2)cc1,JZQMRRNRLNOLIP,JZQMRRNRLNOLIP-UHFFFAOYSA-N,"InChI=1S/C14H13N5S/c1-8-2-5-12(15-6-8)17-14-18-13-9-7-16-19-10(9)3-4-11(13)20-14/h2,5-7H,3-4H2,1H3,(H,16,19)(H,15,17,18)","""AuxInfo=1/1/N:1,20,12,11,19,3,15,2,14,13,10,5,9,7,4,16,6,8,17,18/rA:20CCCNCNCNCCCCCCCNNSCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9d13;s14;d15;s13s16;s7s10;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-JZUCYWKEUXTJPF_on_Q14573_WT,Medium,ChEMBL30,CHEMBL172534,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc2)cc1,JZUCYWKEUXTJPF,JZUCYWKEUXTJPF-UHFFFAOYSA-O,"InChI=1S/C33H44N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,27-32,37-39H,5,18-19H2,1-4H3,(H5-,34,40,41,42,43,44,45,46,47,48)/p+1","""AuxInfo=1/2/N:1,3,14,15,26,19,53,20,52,6,54,10,17,5,55,11,16,25,27,18,7,9,21,4,12,8,34,36,50,33,38,44,22,24,2,13,35,37,51,23,41,42,43,47,48,49,30,31,28,39,45,32,40,46,29/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15,16,17)(21,22)(24,25)(35,36)(41,42,43)(44,45,46)(47,48)/CRV:36+1,48-1/rA:55CNCCCCCCCCCCN+CCCCCCCCCONCCCOPOOOCCOCOCOPOOOCOPOOOCOCCCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;w?12;s13;s13;s12;s9w?16;s8;d18;s19;d20;s21;d22;s22;s24;s25;s26;s27;s28;d29;s29;s29;s32;s33;s34;s34;s36;s36;s38;s39;d40;s40;s40;s38;s44;s45;d46;s46;s46;s33s44;s50;s21;s18d52;s7;s4d54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL701348,PMID:10397504,1999.0,PMID:10397504,1999,0,0,1,0,0,,=,  8.930,8.93,0.0,0.0,1.0,8.93,0.0
-JZUCYWKEUXTJPF_on_Q14643_WT,Medium,ChEMBL30,CHEMBL172534,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc2)cc1,JZUCYWKEUXTJPF,JZUCYWKEUXTJPF-UHFFFAOYSA-O,"InChI=1S/C33H44N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,27-32,37-39H,5,18-19H2,1-4H3,(H5-,34,40,41,42,43,44,45,46,47,48)/p+1","""AuxInfo=1/2/N:1,3,14,15,26,19,53,20,52,6,54,10,17,5,55,11,16,25,27,18,7,9,21,4,12,8,34,36,50,33,38,44,22,24,2,13,35,37,51,23,41,42,43,47,48,49,30,31,28,39,45,32,40,46,29/E:(1,2,3,4)(6,7)(8,9)(10,11,12,13)(14,15,16,17)(21,22)(24,25)(35,36)(41,42,43)(44,45,46)(47,48)/CRV:36+1,48-1/rA:55CNCCCCCCCCCCN+CCCCCCCCCONCCCOPOOOCCOCOCOPOOOCOPOOOCOCCCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;w?12;s13;s13;s12;s9w?16;s8;d18;s19;d20;s21;d22;s22;s24;s25;s26;s27;s28;d29;s29;s29;s32;s33;s34;s34;s36;s36;s38;s39;d40;s40;s40;s38;s44;s45;d46;s46;s46;s33s44;s50;s21;s18d52;s7;s4d54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  8.930,8.93,0.0,0.0,1.0,8.93,0.0
-JZVMGBKLMJNIDY_on_Q14833_WT,High,ChEMBL30,CHEMBL4077754,COc1ccc2c(=NO)cc(-c3ncc4ccccc4c3)oc2c1,JZVMGBKLMJNIDY,JZVMGBKLMJNIDY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O3/c1-23-14-6-7-15-16(21-22)10-19(24-18(15)9-14)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,4,5,21,24,10,14,20,15,3,6,7,12,23,11,13,8,9,2,22/rA:24COCCCCCNOCCCNCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;s7;d10;s11;d12;s13;d14;s15;d16;s17;d18;s15s19;s12d20;s11;s6s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-JZVXTBBSOZZPKP_on_P41594_WT,High,ChEMBL30,CHEMBL3735821,CC(C)(C)n1nnc2c1CCC(c1nnc(-c3ccc(F)cc3)o1)C2,JZVXTBBSOZZPKP,JZVXTBBSOZZPKP-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)20-23-24)17-22-21-16(25-17)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,23,11,19,22,10,25,17,12,20,8,9,16,13,2,21,7,15,14,6,5,24/E:(1,2,3)(4,5)(7,8)/rA:25CCCCNNNCCCCCCNNCCCCCFCCOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s20;s17d22;s13s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-JZXTWCYSLIVPCZ_on_P31644_WT,High,ChEMBL30,CHEMBL3676431,CCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1,JZXTWCYSLIVPCZ,JZXTWCYSLIVPCZ-UHFFFAOYSA-N,"InChI=1S/C18H24N4O3/c1-3-19-18(23)13-7-8-16(21-10-13)24-11-14-12(2)25-22-17(14)15-6-4-5-9-20-15/h7-8,10,15,20H,3-6,9,11H2,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,14,2,20,21,19,7,8,22,25,11,13,6,12,18,9,17,4,3,23,24,16,5,10,15/rA:25CCNCOCCCCOCCCCONCCCCCCNNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;s18;s19;s20;s21;s18s22;s9;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-JZYRCEBNOFGLTK_on_P41594_WT,Low,ChEMBL30,CHEMBL1783859,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,JZYRCEBNOFGLTK,JZYRCEBNOFGLTK-UHFFFAOYSA-N,"InChI=1S/C19H16N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h3-8,10-11H,1,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,4,8,14,16,25,11/E:(4,5)(6,7)/rA:25CCCNCCCNCCSCCNCNCCCCCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-JZYRCEBNOFGLTK_on_Q13255_WT,High,ChEMBL30,CHEMBL1783859,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,JZYRCEBNOFGLTK,JZYRCEBNOFGLTK-UHFFFAOYSA-N,"InChI=1S/C19H16N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h3-8,10-11H,1,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,4,8,14,16,25,11/E:(4,5)(6,7)/rA:25CCCNCCCNCCSCCNCNCCCCCCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-KADHNYOMTSABQA_on_P18507_WT,Low,ChEMBL30,CHEMBL1783273,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1,KADHNYOMTSABQA,KADHNYOMTSABQA-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c1-28-12-6-9-16(29-2)14(10-12)17-15(22)8-7-13-18(23)20(26-25-19(13)17)21(27)24-11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,29,22,3,15,9,11,6,10,16,28,18,19,12,17,21,27,26,20,2,7/E:(4,5)/rA:29COCCCCOCCCCFCCCCNCCONCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s23;s22s24;d18;s26;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.450,8.45,0.0,0.0,1.0,8.45,0.0
-KADHNYOMTSABQA_on_P28472_WT,Low,ChEMBL30,CHEMBL1783273,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1,KADHNYOMTSABQA,KADHNYOMTSABQA-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c1-28-12-6-9-16(29-2)14(10-12)17-15(22)8-7-13-18(23)20(26-25-19(13)17)21(27)24-11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,29,22,3,15,9,11,6,10,16,28,18,19,12,17,21,27,26,20,2,7/E:(4,5)/rA:29COCCCCOCCCCFCCCCNCCONCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s23;s22s24;d18;s26;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.450,8.45,0.0,0.0,1.0,8.45,0.0
-KADHNYOMTSABQA_on_P47869_WT,Low,ChEMBL30,CHEMBL1783273,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1,KADHNYOMTSABQA,KADHNYOMTSABQA-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c1-28-12-6-9-16(29-2)14(10-12)17-15(22)8-7-13-18(23)20(26-25-19(13)17)21(27)24-11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:1,8,24,23,25,4,14,13,5,29,22,3,15,9,11,6,10,16,28,18,19,12,17,21,27,26,20,2,7/E:(4,5)/rA:29COCCCCOCCCCFCCCCNCCONCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s23;s22s24;d18;s26;s10s15d27;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.450,8.45,0.0,0.0,1.0,8.45,0.0
-KAEOHXDNBGUDHW_on_P41594_WT,High,ChEMBL30,CHEMBL1682808,Cn1cnc2c1ncc(OC(=O)c1ccccc1)c2,KAEOHXDNBGUDHW,KAEOHXDNBGUDHW-UHFFFAOYSA-N,"InChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,19,8,3,13,9,5,6,11,7,4,2,12,10/E:(3,4)(5,6)/rA:19CNCNCCNCCOCOCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s13d17;s5d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.670;  6.670,6.67,0.0,0.0,2.0,6.67,0.0
-KAFOACFHKKCXJV_on_O00591_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_O14764_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P14867_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P18505_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P18507_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P28472_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P31644_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P34903_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P47869_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P47870_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P48169_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_P78334_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_Q16445_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAFOACFHKKCXJV_on_Q99928_WT,Low,ChEMBL30,CHEMBL79449,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2,KAFOACFHKKCXJV,KAFOACFHKKCXJV-UHFFFAOYSA-N,"InChI=1S/C23H22ClN3O2S/c1-14-21-20(25-13-27(21)9-7-15-2-4-16(24)5-3-15)19-17-6-8-23(28-10-11-29-23)12-18(17)30-22(19)26-14/h2-5,13H,6-12H2,1H3","""AuxInfo=1/0/N:1,23,28,24,27,11,21,10,20,13,14,8,29,2,22,25,6,7,5,17,18,4,9,26,30,3,19,12,15,16/E:(2,3)(4,5)(10,11)(28,29)/rA:30CCNCCCCCCCCOCCOSCCNCCCCCCClCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s19;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-KAHNVGULAGTHQD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112706,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F,KAHNVGULAGTHQD,KAHNVGULAGTHQD-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-10-15(6-8-26-13)20-18-7-9-30-14(2)12-28(18)21(27-20)16-4-5-17(22(23,24)25)19(11-16)29-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:14,21,1,24,25,10,17,11,18,15,4,22,13,20,9,5,26,16,3,8,6,27,28,29,30,12,7,23,2,19/E:(23,24,25)/rA:30COCCCCNCCCCNCCCCCCOCCCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-KARQXIQWTZVKCL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3925834,CC1(C)CC(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)C1,KARQXIQWTZVKCL,KARQXIQWTZVKCL-UHFFFAOYSA-N,"InChI=1S/C18H15F2N3O/c1-18(2)8-16(24)23(11-18)17-21-9-12(10-22-17)3-4-13-7-14(19)5-6-15(13)20/h5-7,9-10H,8,11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,13,18,19,15,4,10,22,24,11,14,16,20,5,8,2,17,21,9,23,7,6/E:(1,2)(9,10)(21,22)/rA:24CCCCCONCNCCCCCCCFCCCFCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;s16;d16;s18;s14d19;s20;s11;s8d22;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-KAVRSDURXBJOEE_on_Q13255_WT,High,ChEMBL30,CHEMBL3786400,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1,KAVRSDURXBJOEE,KAVRSDURXBJOEE-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N2O3/c1-11-7-8-27-18(11)19(25)23-13-5-6-16(15(22)9-13)24-10-12-3-2-4-14(21)17(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,24,23,27,26,8,13,2,14,7,18,9,11,15,3,4,16,19,10,6,12,5,17,25/rA:27CCCCONCCCClCNCCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s12s15;d16;s15;s18;d18;s20;s14d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.310;  6.320,6.315,0.005,0.005,2.0,6.315,0.005
-KBAGVDXUQHVTTE_on_O15399_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_O60391_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBAGVDXUQHVTTE_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365645,COc1ccc(C=NN=C(N)N)cc1,KBAGVDXUQHVTTE,KBAGVDXUQHVTTE-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,13,4,14,7,6,3,10,11,12,8,9,2/E:(2,3)(4,5)(10,11)/rA:14COCCCCCNNCNNCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-KBDDVRGQXURSDF_on_Q13224_WT,High,ChEMBL30,CHEMBL218075,c1ccc(CCCN2CCC(CNc3ncccn3)CC2)cc1,KBDDVRGQXURSDF,KBDDVRGQXURSDF-UHFFFAOYSA-N,"InChI=1S/C19H26N4/c1-2-6-17(7-3-1)8-4-13-23-14-9-18(10-15-23)16-22-19-20-11-5-12-21-19/h1-3,5-7,11-12,18H,4,8-10,13-16H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,23,6,17,3,22,5,10,20,16,18,7,9,21,12,4,11,14,15,19,13,8/E:(2,3)(6,7)(9,10)(11,12)(14,15)(20,21)/rA:23CCCCCCCNCCCCNCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11;s8s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-KBDQFKQTJBFOTK_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL124501;10492773,Cc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,KBDQFKQTJBFOTK,KBDQFKQTJBFOTK-UHFFFAOYSA-N,"InChI=1S/C15H19NO4/c1-9-3-2-4-10(7-9)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,4,3,5,7,8,20,15,2,6,16,14,17,11,9,10,18,19,12,13/E:(17,18)(19,20)/rA:20CCCCCCCCCNCOOCCCCOOC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s14s15;s16;d17;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203;PubChemAID:108816,PMID:9464367,1998.0,PMID:9464367;PubChemAID:108816,1998;2010,1;0,0,0,0,0;1,,=,  6.750;  6.745,6.747999999999999,0.003,0.003,2.0,6.747999999999999,0.002
-KBDQFKQTJBFOTK_on_Q14832_WT,High,ChEMBL30,CHEMBL124501,Cc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,KBDQFKQTJBFOTK,KBDQFKQTJBFOTK-UHFFFAOYSA-N,"InChI=1S/C15H19NO4/c1-9-3-2-4-10(7-9)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,4,3,5,7,8,20,15,2,6,16,14,17,11,9,10,18,19,12,13/E:(17,18)(19,20)/rA:20CCCCCCCCCNCOOCCCCOOC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s14s15;s16;d17;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-KBDYFHAVKBISDZ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1098335,Nc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,KBDYFHAVKBISDZ,KBDYFHAVKBISDZ-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2","""AuxInfo=1/0/N:14,13,15,12,16,3,21,4,20,9,7,2,11,5,8,17,1,10,18,6,19/E:(2,3)(4,5)(6,7)(8,9)/rA:21NCCCCOCCCNCCCCCCCOOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;d17;s8s17;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KBFYDAGNYWSKLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111365,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-KBFYDAGNYWSKLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355;CHEMBL1111366;CHEMBL1111367;CHEMBL1111365,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.250;  7.090;  7.320;  7.280,7.485,0.45,0.26,4.0,7.3,0.115
-KBFYDAGNYWSKLZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111367;CHEMBL1111355;CHEMBL1111365;CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.320;  8.250;  7.280;  7.090,7.485,0.45,0.26,4.0,7.3,0.115
-KBFYDAGNYWSKLZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-KBFYDAGNYWSKLZ_on_P34903_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111367,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-KBFYDAGNYWSKLZ_on_P47869_WT,Low,ChEMBL30,CHEMBL1080412,FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,KBFYDAGNYWSKLZ,KBFYDAGNYWSKLZ-UHFFFAOYSA-N,"InChI=1S/C13H8ClF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2","""AuxInfo=1/0/N:15,14,18,6,9,20,16,12,13,5,4,2,11,17,1,3,10,21,8,19,7/E:(15,16)/rA:21FCFCCCNNCNCCCCCCClCNCN/rB:s1;s2;s2;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-KBHJJFHSYZKVLG_on_P41594_WT,High,ChEMBL30,CHEMBL3746325,O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ncc(F)cc1,KBHJJFHSYZKVLG,KBHJJFHSYZKVLG-UHFFFAOYSA-N,"InChI=1S/C18H14F2N4O2/c19-12-2-1-3-15(8-12)26-11-14-9-16-18(25)23(6-7-24(16)22-14)17-5-4-13(20)10-21-17/h1-5,8-10H,6-7,11H2","""AuxInfo=1/0/N:10,11,9,25,26,18,17,14,4,22,6,12,23,5,8,3,20,2,13,24,21,15,19,16,1,7/rA:26OCCCCCOCCCCCFCNNCCNCNCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s8d12;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.040;  7.040,7.04,0.0,0.0,2.0,7.04,0.0
-KBKYZXCTHJUCOC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951658;16118119,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,KBKYZXCTHJUCOC,KBKYZXCTHJUCOC-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,19,9,20,8,6,3,10,15,14,11,13,22,21,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373;PubChemAID:645619,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645619,2012,1;0,0,0,0,0;1,,=,  5.330;  5.335,5.332000000000001,0.003,0.003,2.0,5.332000000000001,0.002
-KBKYZXCTHJUCOC_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951658;16118119,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,KBKYZXCTHJUCOC,KBKYZXCTHJUCOC-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,19,9,20,8,6,3,10,15,14,11,13,22,21,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25COCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.200;  8.201,8.2,0.001,0.001,2.0,8.2,0.001
-KBMIXEOSQPPORV_on_P14867_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.790,8.79,0.0,0.0,1.0,8.79,0.0
-KBMIXEOSQPPORV_on_P18507_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273615;CHEMBL1273618;CHEMBL1273619;CHEMBL1273620;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.830;  8.790;  6.000;  8.340;  6.000;  8.340,7.55,1.131,0.506,6.0,8.085,0.48
-KBMIXEOSQPPORV_on_P28472_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273619;CHEMBL1273618;CHEMBL1273616;CHEMBL1273617;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  8.340;  6.000;  8.340;  7.830;  8.790,7.55,1.131,0.506,6.0,8.085,0.48
-KBMIXEOSQPPORV_on_P31644_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-KBMIXEOSQPPORV_on_P34903_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.830,7.83,0.0,0.0,1.0,7.83,0.0
-KBMIXEOSQPPORV_on_P47869_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-KBMIXEOSQPPORV_on_P48169_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KBMIXEOSQPPORV_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270540,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1,KBMIXEOSQPPORV,KBMIXEOSQPPORV-UHFFFAOYSA-N,"InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCFCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KBOQWPBKUOBTRJ_on_P41594_WT,High,ChEMBL30,CHEMBL3655660,CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccn1,KBOQWPBKUOBTRJ,KBOQWPBKUOBTRJ-UHFFFAOYSA-N,"InChI=1S/C17H14ClN5O/c1-23(15-9-19-11-20-10-15)16-8-14(5-6-21-16)22-17(24)12-3-2-4-13(18)7-12/h2-11H,1H3,(H,21,22,24)","""AuxInfo=1/1/N:1,17,16,18,22,23,21,10,4,8,6,15,19,11,3,9,13,20,5,7,24,12,2,14/E:(9,10)(19,20)/rA:24CNCCNCNCCCCNCOCCCCCClCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;d11;s22;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.070;  6.260,6.165,0.095,0.095,2.0,6.165,0.095
-KBUYPHYBNUWEIJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44441355;CHEMBL394655,COc1cc(CN2C(=O)c3c(cccc3)C2=O)c(NC(=O)c2ccccn2)cc1,KBUYPHYBNUWEIJ,KBUYPHYBNUWEIJ-UHFFFAOYSA-N,"InChI=1S/C22H17N3O4/c1-29-15-9-10-18(24-20(26)19-8-4-5-11-23-19)14(12-15)13-25-21(27)16-6-2-3-7-17(16)22(25)28/h2-12H,13H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,13,14,24,25,12,15,23,29,28,26,4,6,5,3,11,10,18,22,20,16,8,27,19,7,21,17,9,2/E:(2,3)(6,7)(16,17)(21,22)(27,28)/rA:29COCCCCNCOCCCCCCCOCNCOCCCCCNCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s7s11;d16;d5;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s18;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:305981;CHEMBL903194,PMID:17210250,2007.0,PubChemAID:305981;PMID:17210250,2010;2007,0,0;1,0,0,1;0,,=,  5.854;  5.850,5.852,0.002,0.002,2.0,5.852,0.002
-KBVJZOBCOIANOX_on_O00591_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_O14764_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P14867_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P18505_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P18507_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P28472_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P31644_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P34903_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P47869_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P47870_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P48169_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_P78334_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_Q16445_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBVJZOBCOIANOX_on_Q99928_WT,Low,ChEMBL30,CHEMBL327930,Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1,KBVJZOBCOIANOX,KBVJZOBCOIANOX-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-2-4-11-10(5-7)17-13(20)19(11)14-18-9-3-1-8(16)6-12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:19,7,20,6,10,16,8,17,14,4,5,15,2,12,9,18,3,13,11,1,21/rA:21OCNCCCCCFCNCNCCCCFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KBWUSXQDABCOSV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107040,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)ccn1,KBWUSXQDABCOSV,KBWUSXQDABCOSV-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O2/c1-13-10-17(4-5-19(13)29-22(23)24)21-26-20(16-6-8-25-14(2)11-16)18-7-9-28-15(3)12-27(18)21/h4-6,8,10-11,15,22H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:24,1,11,16,17,27,7,28,8,25,3,12,23,2,10,4,15,6,18,5,14,20,21,22,29,26,13,9,19/E:(23,24)/rA:29CCCCCCCCOCCCNCCCCCOCFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-KBZHMHKYIFBNTJ_on_Q14416_WT,High,ChEMBL30,CHEMBL185659,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1cc(Oc2ccc(-c3n[nH]nn3)cc2)ccc1,KBZHMHKYIFBNTJ,KBZHMHKYIFBNTJ-UHFFFAOYSA-N,"InChI=1S/C30H33N5O2/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)37-23-12-10-22(11-13-23)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)","""AuxInfo=1/1/N:1,11,12,13,2,36,3,37,35,26,33,25,34,15,16,6,7,21,19,9,20,27,24,22,5,4,14,17,28,10,29,32,30,31,8,18,23/E:(2,3,4)(10,11)(12,13)(31,32)(33,34)/rA:37CCCCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;d20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;d22;s35;s20d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-KBZYUWVHYLNWIA_on_P31644_WT,High,ChEMBL30,CHEMBL3675678,Cc1c(COc2nn(C)c(C(=O)NC3(C)COC3)c2)n(-c2ccc(F)cc2)nn1,KBZYUWVHYLNWIA,KBZYUWVHYLNWIA-UHFFFAOYSA-N,"InChI=1S/C19H21FN6O3/c1-12-16(26(24-22-12)14-6-4-13(20)5-7-14)9-29-17-8-15(25(3)23-17)18(27)21-19(2)10-28-11-19/h4-8H,9-11H2,1-3H3,(H,21,27)","""AuxInfo=1/1/N:1,15,9,23,26,22,27,19,4,16,18,2,24,21,10,3,6,11,14,25,13,29,7,28,8,20,12,17,5/E:(4,5)(6,7)(10,11)/rA:29CCCCOCNNCCCONCCCOCCNCCCCFCCNN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s10;d11;s11;s13;s14;s14;s16;s14s17;s6d10;s3;s20;d21;s22;d23;s24;s24;s21d26;s20;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-KCBUZIFOTQBRKN_on_P41594_WT,High,ChEMBL30,CHEMBL3747012,O=C1c2cc(COc3ccncc3)nn2CCN1c1ccc(F)cc1,KCBUZIFOTQBRKN,KCBUZIFOTQBRKN-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:21,24,20,25,9,13,10,12,17,16,4,6,22,5,19,8,3,2,23,11,14,18,15,1,7/E:(1,2)(3,4)(5,6)(7,8)/rA:25OCCCCCOCCCNCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-KCHDYLXSAMNEHX_on_Q14833_WT,High,ChEMBL30,CHEMBL3808534,O=C(Nc1cn(S(=O)(=O)Cc2ccc(Cl)cc2)cc1)c1ccccn1,KCHDYLXSAMNEHX,KCHDYLXSAMNEHX-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S/c18-14-6-4-13(5-7-14)12-25(23,24)21-10-8-15(11-21)20-17(22)16-3-1-2-9-19-16/h1-11H,12H2,(H,20,22)","""AuxInfo=1/1/N:22,23,21,12,17,13,16,19,24,18,5,10,11,14,4,20,2,15,25,3,6,1,8,9,7/E:(4,5)(6,7)(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCCClCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s14;s11d16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.400;  6.400,6.4,0.0,0.0,2.0,6.4,0.0
-KCKBEBSPXHRNFU_on_P41594_WT,High,ChEMBL30,CHEMBL4060116,CCN(CC)c1c2ccccc2ncc1S(=O)(=O)c1ccc(C)cc1,KCKBEBSPXHRNFU,KCKBEBSPXHRNFU-UHFFFAOYSA-N,"InChI=1S/C20H22N2O2S/c1-4-22(5-2)20-17-8-6-7-9-18(17)21-14-19(20)25(23,24)16-12-10-15(3)11-13-16/h6-14H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,5,23,2,4,9,10,8,11,21,24,20,25,14,22,19,7,12,15,6,13,3,17,18,16/E:(1,2)(4,5)(10,11)(12,13)(23,24)/CRV:25.6/rA:25CCNCCCCCCCCCNCCSOOCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s9;d10;s7s11;d12;s13;s6d14;s15;d16;d16;s16;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-KCKOKWHSVCIPNK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3926962,CN1C(=O)C(C(=O)OCc2ccccc2)(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C,KCKOKWHSVCIPNK,KCKOKWHSVCIPNK-UHFFFAOYSA-N,"InChI=1S/C27H25N3O3/c1-26(2)19-27(24(31)30(26)3,25(32)33-18-21-12-8-5-9-13-21)23-28-16-22(17-29-23)15-14-20-10-6-4-7-11-20/h4-13,16-17H,18-19H2,1-3H3","""AuxInfo=1/0/N:32,33,1,25,13,24,26,12,14,23,27,11,15,21,20,18,28,9,30,22,10,19,16,3,6,31,5,17,29,2,4,7,8/E:(1,2)(6,7)(8,9)(10,11)(12,13)(16,17)(28,29)/rA:33CNCOCCOOCCCCCCCCNCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s5;d16;s17;d18;s19;t20;s21;d22;s23;d24;s25;s22d26;s19;s16d28;s5;s2s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-KCMZRNMCBHBCHT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3944557,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)C4(O)CCN(C(=O)OC(C)(C)C)C4)CC3C1)cc2,KCMZRNMCBHBCHT,KCMZRNMCBHBCHT-UHFFFAOYSA-N,"InChI=1S/C29H41N5O5/c1-27(2,3)16-34-22-9-8-21(30-23(22)31(7)25(34)36)18-12-19-14-33(15-20(19)13-18)24(35)29(38)10-11-32(17-29)26(37)39-28(4,5)6/h8-9,12,19-20,38H,10-11,13-17H2,1-7H3","""AuxInfo=1/0/N:8,9,10,31,32,33,1,38,39,24,25,16,37,18,35,6,34,15,17,36,14,11,12,20,3,27,7,30,22,13,2,26,19,5,21,4,28,23,29/E:(1,2,3)(4,5,6)/rA:39CNCONCCCCCCCNCCCCCNCOCOCCNCOOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s19;d20;s20;s22;s22;s24;s25;s26;d27;s27;s29;s30;s30;s30;s22s26;s19;s17s35;s15s36;s14;s11d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-KCNBAUKGODRNGM_on_O15399_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_O60391_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_Q05586_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_Q12879_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_Q13224_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCNBAUKGODRNGM_on_Q14957_WT,Low,ChEMBL30,CHEMBL280243,CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1,KCNBAUKGODRNGM,KCNBAUKGODRNGM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)21-19(20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,13,14,21,16,20,17,22,15,19,18,2,12,4,11,5,10,7,8,6,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCNCNNCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s7;s9;d10;s11;s12;s12;s11;d15;s16;s10d17;s5;d19;s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KCPKPYOQOIGRML_on_Q13255_WT,Low,ChEMBL30,CHEMBL3785775,Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1,KCPKPYOQOIGRML,KCPKPYOQOIGRML-UHFFFAOYSA-N,"InChI=1S/C20H14ClFN2O3/c1-11-7-8-27-18(11)19(25)23-16-6-5-13(9-15(16)22)24-10-12-3-2-4-14(21)17(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,23,24,27,26,10,13,2,14,11,18,8,7,15,3,4,16,19,9,6,12,5,17,25/rA:27CCCCONCCFCCNCCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;s13;d14;s12s15;d16;s15;s18;d18;s20;s14d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-KCPROQKMHPWWCP_on_Q14416_WT,High,ChEMBL30,CHEMBL187939,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCCCOc1ccc(-c2n[nH]nn2)cc1,KCPROQKMHPWWCP,KCPROQKMHPWWCP-UHFFFAOYSA-N,"InChI=1S/C28H37N5O2/c1-5-9-24-23-16-17-33(20-28(2,3)4)25(23)14-15-26(24)35-19-8-6-7-18-34-22-12-10-21(11-13-22)27-29-31-32-30-27/h10-17H,5-9,18-20H2,1-4H3,(H,29,30,31,32)","""AuxInfo=1/1/N:1,11,12,13,2,21,22,20,3,27,34,26,35,15,16,6,7,23,19,9,28,25,5,4,14,17,29,10,30,33,31,32,8,24,18/E:(2,3,4)(10,11)(12,13)(29,30)(31,32)/rA:35CCCCCCCNCCCCCCCCCOCCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;d29;s30;s31;s29d32;s28;s25d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KCSXUJCNYCRMMU_on_Q13255_WT,Low,ChEMBL30,CHEMBL1951679,COc1ccc(-n2ccc3c(sc4c3c(O)ccn4)c2=O)cc1,KCSXUJCNYCRMMU,KCSXUJCNYCRMMU-UHFFFAOYSA-N,"InChI=1S/C17H12N2O3S/c1-22-11-4-2-10(3-5-11)19-9-7-12-14-13(20)6-8-18-16(14)23-15(12)17(19)21/h2-9H,1H3,(H,18,20)","""AuxInfo=1/1/N:1,5,22,4,23,17,9,18,8,6,3,10,15,14,11,13,20,19,7,16,21,2,12/E:(2,3)(4,5)/rA:23COCCCCNCCCCSCCCOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;d15;s17;s13d18;s7s11;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KCWCNDXYAPQOHU_on_P14867_WT,Low,ChEMBL30,CHEMBL205205,Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KCWCNDXYAPQOHU,KCWCNDXYAPQOHU-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,4,7,19,16,13,12,10,6,25,26,17,11,21,24,3,2,5,27/rA:27CNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-KCWCNDXYAPQOHU_on_P18507_WT,Low,ChEMBL30,CHEMBL205205,Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KCWCNDXYAPQOHU,KCWCNDXYAPQOHU-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,4,7,19,16,13,12,10,6,25,26,17,11,21,24,3,2,5,27/rA:27CNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869460;CHEMBL869459;CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.330;  8.190;  8.640,8.387,0.188,0.133,3.0,8.33,0.14
-KCWCNDXYAPQOHU_on_P28472_WT,Low,ChEMBL30,CHEMBL205205,Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KCWCNDXYAPQOHU,KCWCNDXYAPQOHU-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,4,7,19,16,13,12,10,6,25,26,17,11,21,24,3,2,5,27/rA:27CNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869460;CHEMBL869461;CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.330;  8.640;  8.190,8.387,0.188,0.133,3.0,8.33,0.14
-KCWCNDXYAPQOHU_on_P31644_WT,Low,ChEMBL30,CHEMBL205205,Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KCWCNDXYAPQOHU,KCWCNDXYAPQOHU-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,4,7,19,16,13,12,10,6,25,26,17,11,21,24,3,2,5,27/rA:27CNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-KCWCNDXYAPQOHU_on_P34903_WT,Low,ChEMBL30,CHEMBL205205,Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KCWCNDXYAPQOHU,KCWCNDXYAPQOHU-UHFFFAOYSA-N,"InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,18,22,20,23,4,7,19,16,13,12,10,6,25,26,17,11,21,24,3,2,5,27/rA:27CNNCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-KCZLFRGYJJECBC_on_P41594_WT,High,ChEMBL30,CHEMBL3986644,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(Cl)c(Cl)ccc2)O1,KCZLFRGYJJECBC,KCZLFRGYJJECBC-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2F2N2O2/c21-15-3-1-2-14(16(15)22)18-17(26-19(27)28-18)13-6-11(9-25-10-13)4-5-12-7-20(23,24)8-12/h1-3,6,9-10,12,17-18H,7-8H2,(H,26,27)","""AuxInfo=1/1/N:26,27,25,8,9,6,11,15,16,18,7,10,5,20,23,21,4,19,2,12,24,22,13,14,17,3,1,28/E:(7,8)(23,24)/rA:28OCNCCCCCCCCCFFCCNCCCCClCClCCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;s21;s23;d23;s25;s20d26;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  6.890;  7.890,7.39,0.5,0.5,2.0,7.39,0.5
-KDDLLSWPVURFDD_on_Q14833_WT,High,ChEMBL30,CHEMBL1209591,Nc1nc(C#Cc2ccccc2)ccn1,KDDLLSWPVURFDD,KDDLLSWPVURFDD-UHFFFAOYSA-N,"InChI=1S/C12H9N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H2,13,14,15)","""AuxInfo=1/1/N:10,9,11,8,12,6,5,13,14,7,4,2,1,15,3/E:(2,3)(4,5)/rA:15NCNCCCCCCCCCCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-KDGMRQJYYKGVCJ_on_P14867_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.140;  7.140,7.14,0.0,0.0,2.0,7.14,0.0
-KDGMRQJYYKGVCJ_on_P18507_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL683045;CHEMBL681480;CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.070;  7.140;  7.010;  6.480;  8.320;  8.320;  7.010;  7.070;  7.140;  6.480,7.204,0.605,0.20199999999999999,10.0,7.07,0.07
-KDGMRQJYYKGVCJ_on_P28472_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL824296;CHEMBL823916;CHEMBL685338;CHEMBL822165;CHEMBL681480;CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  6.480;  7.070;  7.010;  8.320;  7.140;  8.320;  7.070;  7.140;  7.010;  6.480,7.204,0.605,0.20199999999999999,10.0,7.07,0.07
-KDGMRQJYYKGVCJ_on_P31644_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.320;  8.320,8.32,0.0,0.0,2.0,8.32,0.0
-KDGMRQJYYKGVCJ_on_P34903_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.010;  7.010,7.01,0.0,0.0,2.0,7.01,0.0
-KDGMRQJYYKGVCJ_on_P47869_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.070;  7.070,7.07,0.0,0.0,2.0,7.07,0.0
-KDGMRQJYYKGVCJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL335888,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21,KDGMRQJYYKGVCJ,KDGMRQJYYKGVCJ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3","""AuxInfo=1/0/N:1,22,23,2,13,14,4,5,12,8,27,21,3,7,6,15,17,16,20,18,9,26,19,24,11,28,10,25/E:(2,3)/rA:28CCCCCCCCCONCCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;s21;s21;d20;s18s24;s17;d26;s6s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.480;  6.480,6.48,0.0,0.0,2.0,6.48,0.0
-KDHKDFONLOHKCA_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL220660;9967123,O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1,KDHKDFONLOHKCA,KDHKDFONLOHKCA-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21)","""AuxInfo=1/1/N:8,7,9,6,10,13,23,20,21,12,24,15,18,4,14,5,17,2,19,22,16,11,1,3/E:(2,3)(4,5)(6,7)(10,11)/rA:24OCOCCCCCCCNCCCCNCCNCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PubChemAID:277227,2007;2010,0,0,0,1;0,0;1,,=,  7.850;  7.854,7.852,0.002,0.002,2.0,7.852,0.002
-KDMMIKQMHNBKAV_on_O00591_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_O14764_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P14867_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P18505_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P18507_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P28472_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P31644_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P34903_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P41594_WT,High,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  6.060;  5.840,5.95,0.11,0.11,2.0,5.95,0.11
-KDMMIKQMHNBKAV_on_P47869_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P47870_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P48169_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_P78334_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDMMIKQMHNBKAV_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410222,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2,KDMMIKQMHNBKAV,KDMMIKQMHNBKAV-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,24,9,13,23,25,7,6,3,15,8,21,5,17,4,18,19,22,14,2,16,20/E:(3,4)(6,7)/rA:25CNCCCCCCCCCCCNCNCCCOCClCCC/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s2s18;d19;s18;s21;d21;s23;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KDOSGXHIWXEYDY_on_Q05586_WT,Low,ChEMBL30,CHEMBL159541,N=C(C=Cc1ccccc1)NCc1ccc(C(F)(F)F)cc1,KDOSGXHIWXEYDY,KDOSGXHIWXEYDY-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-9-6-14(7-10-15)12-22-16(21)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,6,10,14,22,4,15,21,3,12,5,13,16,2,17,18,19,20,1,11/E:(2,3)(4,5)(6,7)(9,10)(18,19,20)/rA:22NCCCCCCCCCNCCCCCCFFFCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KDOSGXHIWXEYDY_on_Q13224_WT,Low,ChEMBL30,CHEMBL159541,N=C(C=Cc1ccccc1)NCc1ccc(C(F)(F)F)cc1,KDOSGXHIWXEYDY,KDOSGXHIWXEYDY-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-9-6-14(7-10-15)12-22-16(21)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,6,10,14,22,4,15,21,3,12,5,13,16,2,17,18,19,20,1,11/E:(2,3)(4,5)(6,7)(9,10)(18,19,20)/rA:22NCCCCCCCCCNCCCCCCFFFCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KDSSJBBYZLOXLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL426986,CCOC(=O)c1cn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1,KDSSJBBYZLOXLQ,KDSSJBBYZLOXLQ-UHFFFAOYSA-N,"InChI=1S/C18H14F2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCFCCCCCCCFCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KDSSJBBYZLOXLQ_on_P47869_WT,Low,ChEMBL30,CHEMBL426986,CCOC(=O)c1cn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1,KDSSJBBYZLOXLQ,KDSSJBBYZLOXLQ-UHFFFAOYSA-N,"InChI=1S/C18H14F2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCFCCCCCCCFCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KDSSJBBYZLOXLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL426986,CCOC(=O)c1cn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1,KDSSJBBYZLOXLQ,KDSSJBBYZLOXLQ-UHFFFAOYSA-N,"InChI=1S/C18H14F2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCFCCCCCCCFCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KDUFISFQSHXSHF_on_P18507_WT,Low,ChEMBL30,CHEMBL1078500,Cc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,KDUFISFQSHXSHF,KDUFISFQSHXSHF-UHFFFAOYSA-N,"InChI=1S/C13H11N5/c1-9-12-6-18-13(14-7-16-18)10-4-2-3-5-11(10)17(12)8-15-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,4,7,17,2,10,11,3,9,8,18,6,16,5/rA:18CCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-KDUFISFQSHXSHF_on_P28472_WT,Low,ChEMBL30,CHEMBL1078500,Cc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,KDUFISFQSHXSHF,KDUFISFQSHXSHF-UHFFFAOYSA-N,"InChI=1S/C13H11N5/c1-9-12-6-18-13(14-7-16-18)10-4-2-3-5-11(10)17(12)8-15-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,4,7,17,2,10,11,3,9,8,18,6,16,5/rA:18CCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-KDUFISFQSHXSHF_on_P31644_WT,Low,ChEMBL30,CHEMBL1078500,Cc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,KDUFISFQSHXSHF,KDUFISFQSHXSHF-UHFFFAOYSA-N,"InChI=1S/C13H11N5/c1-9-12-6-18-13(14-7-16-18)10-4-2-3-5-11(10)17(12)8-15-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,4,7,17,2,10,11,3,9,8,18,6,16,5/rA:18CCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-KDUHJNCJIHDFSV_on_O15399_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_O60391_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_Q05586_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_Q12879_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_Q13224_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KDUHJNCJIHDFSV_on_Q14957_WT,Low,ChEMBL30,CHEMBL298232,O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,KDUHJNCJIHDFSV,KDUHJNCJIHDFSV-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O4/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,15,17,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCFCClCFC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-KEDIVFDACPQWHH_on_O15399_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_O60391_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_P41594_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_Q05586_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_Q12879_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_Q13224_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDIVFDACPQWHH_on_Q14957_WT,Low,ChEMBL30,CHEMBL4172276,Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12,KEDIVFDACPQWHH,KEDIVFDACPQWHH-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,7,6,8,13,19,2,5,9,20,16,14,3,17,4,10,15,11,12,18/E:(18,19)/CRV:16.5/rA:20CCNNCCCCCN+OO-CCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s10;s5d9;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KEDYAFNTMGPUOS_on_Q14416_WT,High,ChEMBL30,CHEMBL2029797,CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O,KEDYAFNTMGPUOS,KEDYAFNTMGPUOS-UHFFFAOYSA-N,"InChI=1S/C23H22N2O2/c1-17(2)12-14-25-15-13-21(22(16-24)23(25)26)18-8-10-20(11-9-18)27-19-6-4-3-5-7-19/h3-11,13,15,17H,12,14H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,11,22,12,21,4,8,5,7,24,2,10,15,13,9,23,26,25,6,27,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:27CCCCCNCCCCCCCOCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-KEFJRXOVMHQELF_on_O15399_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_O60391_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_Q05586_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_Q12879_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_Q13224_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEFJRXOVMHQELF_on_Q14957_WT,Low,ChEMBL30,CHEMBL126035,O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O,KEFJRXOVMHQELF,KEFJRXOVMHQELF-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)","""AuxInfo=1/1/N:10,9,11,8,12,22,17,7,20,18,15,16,13,24,2,21,19,14,23,3,25,1,5,6,4/E:(2,3)(4,5)(23,24)/CRV:25.6/rA:25OCNSOOCCCCCCCNCCCCClCClCNCO/rB:d1;s2;s3;d4;d4;s4;d7;s8;d9;s10;s7d11;s2;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s16;s13d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-KEJSHHZFSWNGBI_on_P31644_WT,High,ChEMBL30,CHEMBL3681429,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccc(Cl)cc2)no1,KEJSHHZFSWNGBI,KEJSHHZFSWNGBI-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O3S/c1-14-18(20(24-28-14)15-2-5-17(22)6-3-15)13-27-19-7-4-16(12-23-19)21(26)25-8-10-29-11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,22,27,8,23,26,7,13,17,14,16,18,4,2,21,9,24,3,6,20,10,25,19,28,12,11,5,29,15/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCOCCCCCONCCSCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-KEMFLKMZDSDQKO_on_Q14416_WT,High,ChEMBL30,CHEMBL2179329,CCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,KEMFLKMZDSDQKO,KEMFLKMZDSDQKO-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-2-19-22-23-20-17(14-21)18(10-13-25(19)20)24-11-8-16(9-12-24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,13,21,23,12,22,24,8,15,14,7,10,3,6,9,4,5,11,25/E:(4,5)(6,7)(8,9)(11,12)/rA:25CCCNNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;t8;d7;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;d23;s3s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-KENJGVRNUUTITJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634438,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1,KENJGVRNUUTITJ,KENJGVRNUUTITJ-UHFFFAOYSA-N,"InChI=1S/C19H14N4O4/c1-10-4-3-5-13-14(10)18(26)23(17(13)25)19-20-8-12(9-21-19)22-16(24)15-11(2)6-7-27-15/h3-9H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,27,26,8,24,18,2,7,14,15,3,4,12,16,10,9,23,6,11,5,13,17,25/E:(8,9)(20,21)/rA:27CCCCONCCNCNCOCCCOCCCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.120;  6.120,6.12,0.0,0.0,2.0,6.12,0.0
-KENJGVRNUUTITJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634438,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1,KENJGVRNUUTITJ,KENJGVRNUUTITJ-UHFFFAOYSA-N,"InChI=1S/C19H14N4O4/c1-10-4-3-5-13-14(10)18(26)23(17(13)25)19-20-8-12(9-21-19)22-16(24)15-11(2)6-7-27-15/h3-9H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:19,1,21,20,22,27,26,8,24,18,2,7,14,15,3,4,12,16,10,9,23,6,11,5,13,17,25/E:(8,9)(20,21)/rA:27CCCCONCCNCNCOCCCOCCCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KERNZTSMCWMLJM_on_Q05586_WT,Low,ChEMBL30,CHEMBL159902,N=C(C=Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1,KERNZTSMCWMLJM,KERNZTSMCWMLJM-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,4,3,14,20,17,12,5,13,15,18,2,16,19,1,11/E:(2,3)(4,5)(8,9)(14,15)(17,18)/rA:20NCCCCCCCCCNCCCCClCCClC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-KERNZTSMCWMLJM_on_Q13224_WT,Low,ChEMBL30,CHEMBL159902,N=C(C=Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1,KERNZTSMCWMLJM,KERNZTSMCWMLJM-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,4,3,14,20,17,12,5,13,15,18,2,16,19,1,11/E:(2,3)(4,5)(8,9)(14,15)(17,18)/rA:20NCCCCCCCCCNCCCCClCCClC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-KEVMXEVGWMIWSP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3942959,O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,KEVMXEVGWMIWSP,KEVMXEVGWMIWSP-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O2/c21-14-2-1-3-17(9-14)28-12-15-10-16-11-25(6-7-26(16)24-15)20(27)13-4-5-18(22)19(23)8-13/h1-5,8-10H,6-7,11-12H2","""AuxInfo=1/0/N:24,23,25,4,5,12,13,10,20,26,28,17,3,21,16,27,19,6,8,2,22,7,9,15,11,14,1,18/rA:28OCCCCCFCFCNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s16;s14d26;s11s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-KEXVEOJPANROJT_on_P41594_WT,High,ChEMBL30,CHEMBL205391,O=C1c2c(cccc2)C(=O)N1c1cc(OCc2ccccc2)ccc1,KEXVEOJPANROJT,KEXVEOJPANROJT-UHFFFAOYSA-N,"InChI=1S/C21H15NO3/c23-20-18-11-4-5-12-19(18)21(24)22(20)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13H,14H2","""AuxInfo=1/0/N:20,19,21,6,7,24,18,22,25,23,5,8,13,16,17,12,14,4,3,9,2,11,10,1,15/E:(2,3)(4,5)(7,8)(11,12)(18,19)(20,21)(23,24)/rA:25OCCCCCCCCONCCCOCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s23;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KFACHLANPCGTFI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL41013,CC(N)(C(=O)O)C1CC1C(=O)O,KFACHLANPCGTFI,KFACHLANPCGTFI-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,8,9,7,10,4,2,3,11,12,5,6/E:(9,10)(11,12)/rA:12CCNCOOCCCCOO/rB:s1;s2;s2;d4;s4;s2;s7;s7s8;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.080,4.08,0.0,0.0,1.0,4.08,0.0
-KFAGJPNFERWZJA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL121053,NC1(C(=O)O)CC(=O)C2C1C2(F)C(=O)O,KFAGJPNFERWZJA,KFAGJPNFERWZJA-UHFFFAOYSA-N,"InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,7,9,10,3,13,2,11,12,1,8,4,5,14,15/E:(12,13)(14,15)/rA:15NCCOOCCOCCCFCOO/rB:s1;s2;d3;s3;s2;s6;d7;s7;s2s9;s9s10;s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2185178,PMID:22318160,2012.0,PMID:22318160,2012,0,1,0,0,0,,=,  9.240,9.24,0.0,0.0,1.0,9.24,0.0
-KFAGJPNFERWZJA_on_Q14832_WT,Medium,ChEMBL30,CHEMBL121053,NC1(C(=O)O)CC(=O)C2C1C2(F)C(=O)O,KFAGJPNFERWZJA,KFAGJPNFERWZJA-UHFFFAOYSA-N,"InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:6,7,9,10,3,13,2,11,12,1,8,4,5,14,15/E:(12,13)(14,15)/rA:15NCCOOCCOCCCFCOO/rB:s1;s2;d3;s3;s2;s6;d7;s7;s2s9;s9s10;s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2182982,PMID:22318160,2012.0,PMID:22318160,2012,0,1,0,0,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-KFFMCQNGTCTUIQ_on_P41594_WT,High,ChEMBL30,CHEMBL3655596,O=C(Nc1cccc(Oc2cncnc2)n1)c1cc(Cl)ccc1,KFFMCQNGTCTUIQ,KFFMCQNGTCTUIQ-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-5-2-6-15(20-14)23-13-8-18-10-19-9-13/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,6,23,21,5,7,18,11,15,13,17,19,10,4,8,2,20,12,14,16,3,1,9/E:(8,9)(18,19)/rA:23OCNCCCCCOCCNCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  7.180;  7.050,7.115,0.065,0.065,2.0,7.115,0.065
-KFGYBFXWZMUZNI_on_Q14833_WT,High,ChEMBL30,CHEMBL4085608,ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(C1CC1)cc2,KFGYBFXWZMUZNI,KFGYBFXWZMUZNI-UHFFFAOYSA-N,"InChI=1S/C21H16N2O2/c24-23-18-11-21(19-10-14-3-1-2-4-16(14)12-22-19)25-20-8-7-15(9-17(18)20)13-5-6-13/h1-4,7-13,24H,5-6H2","""AuxInfo=1/0/N:12,11,13,10,22,23,24,25,19,15,4,8,21,14,20,9,18,3,6,17,5,7,2,1,16/E:(5,6)/rA:25ONCCCCNCCCCCCCCOCCCCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s21;s21s22;s20;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KFHITONAJCKILY_on_Q14833_WT,High,ChEMBL30,CHEMBL4243164,Cn1ccc2c1ccc(Nc1c3ncccc3n[nH]1)c2,KFHITONAJCKILY,KFHITONAJCKILY-UHFFFAOYSA-N,"InChI=1S/C15H13N5/c1-20-8-6-10-9-11(4-5-13(10)20)17-15-14-12(18-19-15)3-2-7-16-14/h2-9H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,15,16,8,7,4,14,3,20,5,9,17,6,12,11,13,10,18,19,2/rA:20CNCCCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-KFHLKGASZJEOJF_on_Q14833_WT,High,ChEMBL30,CHEMBL4239430,Cn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,KFHLKGASZJEOJF,KFHLKGASZJEOJF-UHFFFAOYSA-N,"InChI=1S/C17H16N6/c1-23-14-9-11(6-7-12(14)15(22-23)10-4-5-10)19-17-16-13(20-21-17)3-2-8-18-16/h2-3,6-10H,4-5H2,1H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,17,18,6,7,22,23,16,10,5,11,8,19,9,4,14,13,15,12,20,21,3,2/E:(4,5)/rA:23CNNCCCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s5s6;s4;s2d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s11;s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-KFHZJUPVWXPPQA_on_P41594_WT,High,ChEMBL30,CHEMBL3940018,COc1cccc(C2OC(=O)NC2c2cc(C#CC3CC(F)(F)C3)cnc2)c1,KFHZJUPVWXPPQA,KFHZJUPVWXPPQA-UHFFFAOYSA-N,"InChI=1S/C21H18F2N2O3/c1-27-17-4-2-3-15(8-17)19-18(25-20(26)28-19)16-7-13(11-24-12-16)5-6-14-9-21(22,23)10-14/h2-4,7-8,11-12,14,18-19H,9-10H2,1H3,(H,25,26)","""AuxInfo=1/1/N:1,5,6,4,17,18,15,28,20,24,25,27,16,19,7,14,3,13,8,10,21,22,23,26,12,11,2,9/E:(9,10)(22,23)/rA:28COCCCCCCOCONCCCCCCCCCFFCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s8s12;s13;d14;s15;s16;t17;s18;s19;s20;s21;s21;s19s21;d16;s25;s14d26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-KFIGFLNMPKDABO_on_P41594_WT,High,ChEMBL30,CHEMBL3660217,Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1,KFIGFLNMPKDABO,KFIGFLNMPKDABO-UHFFFAOYSA-N,"InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-8-12/h2-9H,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,15,14,19,16,20,10,18,3,2,11,13,9,7,5,17,21,22,6,8,12,4/rA:22CCCSCNCOCCCOCCCCNCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s19;s9d20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-KFIOPXXYRGTTGT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112146,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)ccn1,KFIOPXXYRGTTGT,KFIOPXXYRGTTGT-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c1-13-10-17(4-5-18(13)22)21-24-20(16-6-8-23-14(2)11-16)19-7-9-26-15(3)12-25(19)21/h4-6,8,10-11,15H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:21,1,11,16,17,24,7,25,8,22,3,12,20,2,10,4,15,18,6,5,14,19,26,23,13,9/rA:26CCCCCCCCOCCCNCCCCCClCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-KFJQJPZYEILGKB_on_P41594_WT,High,ChEMBL30,CHEMBL414000,Cc1cn2cccc2c(C#Cc2ccc(F)cc2)n1,KFJQJPZYEILGKB,KFJQJPZYEILGKB-UHFFFAOYSA-N,"InChI=1S/C16H11FN2/c1-12-11-19-10-2-3-16(19)15(18-12)9-6-13-4-7-14(17)8-5-13/h2-5,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,6,7,13,18,11,14,17,10,5,3,2,12,15,9,8,16,19,4/E:(4,5)(7,8)/rA:19CCCNCCCCCCCCCCCFCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s2d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-KFMCQFQGOJPKHE_on_P41594_WT,Low,ChEMBL30,CHEMBL399460,Cc1nc2c(cnn2-c2nccnc2)c(=O)n1-c1cnccn1,KFMCQFQGOJPKHE,KFMCQFQGOJPKHE-UHFFFAOYSA-N,"InChI=1S/C14H10N8O/c1-9-20-13-10(6-19-22(13)12-8-16-3-5-18-12)14(23)21(9)11-7-15-2-4-17-11/h2-8H,1H3","""AuxInfo=1/0/N:1,21,12,22,11,6,19,14,2,5,18,9,4,15,20,13,23,10,7,3,17,8,16/rA:23CCNCCCNNCNCCNCCONCCNCCN/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KFMCQFQGOJPKHE_on_Q13255_WT,Low,ChEMBL30,CHEMBL399460,Cc1nc2c(cnn2-c2nccnc2)c(=O)n1-c1cnccn1,KFMCQFQGOJPKHE,KFMCQFQGOJPKHE-UHFFFAOYSA-N,"InChI=1S/C14H10N8O/c1-9-20-13-10(6-19-22(13)12-8-16-3-5-18-12)14(23)21(9)11-7-15-2-4-17-11/h2-8H,1H3","""AuxInfo=1/0/N:1,21,12,22,11,6,19,14,2,5,18,9,4,15,20,13,23,10,7,3,17,8,16/rA:23CCNCCCNNCNCCNCCONCCNCCN/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KFMFWOCTCNKUIB_on_P14867_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-KFMFWOCTCNKUIB_on_P18507_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.820;  6.980;  6.640;  6.290,6.933,0.568,0.32799999999999996,4.0,6.81,0.345
-KFMFWOCTCNKUIB_on_P28472_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL682709;CHEMBL680432;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.290;  6.640;  6.980;  7.820,6.933,0.568,0.32799999999999996,4.0,6.81,0.345
-KFMFWOCTCNKUIB_on_P31644_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-KFMFWOCTCNKUIB_on_P34903_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-KFMFWOCTCNKUIB_on_P47869_WT,Low,ChEMBL30,CHEMBL331657,Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1,KFMFWOCTCNKUIB,KFMFWOCTCNKUIB-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c1-14-5-4-6-17(25-14)13-30-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(29(22)28-23)18-7-2-3-12-24-18/h2-7,12,15-16H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,4,3,5,18,26,28,25,29,15,7,2,27,24,6,13,22,23,12,21,9,14,30,19,20,10,11,8/E:(8,9)(10,11)/rA:30CCCCCCCOCNNCCNCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-KFNXSASJRFOSHL_on_Q14833_WT,High,ChEMBL30,CHEMBL1921855,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncccc1,KFNXSASJRFOSHL,KFNXSASJRFOSHL-UHFFFAOYSA-N,"InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)","""AuxInfo=1/1/N:15,16,27,26,28,14,17,5,22,6,21,25,4,7,23,13,12,2,24,3,8,1,19,20,10,11,18,9/E:(1,2)(6,7)(8,9)(10,11)(16,17)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-KFOQUTOQONEDDM_on_Q14833_WT,High,ChEMBL30,CHEMBL4103895,ON=c1cc(-c2ncc3ccccc3c2)oc2c1ccc(Br)c2,KFOQUTOQONEDDM,KFOQUTOQONEDDM-UHFFFAOYSA-N,"InChI=1S/C18H11BrN2O2/c19-13-5-6-14-15(21-22)9-18(23-17(14)8-13)16-7-11-3-1-2-4-12(11)10-20-16/h1-10,22H","""AuxInfo=1/0/N:12,11,13,10,20,19,15,23,4,8,14,9,21,18,3,6,17,5,22,7,2,1,16/rA:23ONCCCCNCCCCCCCCOCCCCCBrC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s21;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-KFTJKOTZDQHRIC_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,24809653;CHEMBL2029790,COc1c(F)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1,KFTJKOTZDQHRIC,KFTJKOTZDQHRIC-UHFFFAOYSA-N,"InChI=1S/C18H19FN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3","""AuxInfo=1/0/N:18,19,1,22,23,16,21,15,20,6,10,17,7,8,9,4,3,12,5,11,14,13,2/E:(1,2)/rA:23COCCFCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;t10;s9;d12;s12;s14;s15;s16;s17;s17;s14;s8d20;s7;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  5.932;  5.930,5.931,0.001,0.001,2.0,5.931,0.001
-KFYGRPZJQWLVBV_on_P41594_WT,High,ChEMBL30,CHEMBL3702414,COC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,KFYGRPZJQWLVBV,KFYGRPZJQWLVBV-UHFFFAOYSA-N,"InChI=1S/C18H15IN4O3/c1-26-18(25)14-9-22(10-21-14)16-7-15-12-3-2-4-13(19)11(12)5-6-23(15)17(24)8-20-16/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,19,18,20,15,14,24,10,6,25,16,17,21,5,23,8,11,3,22,9,26,7,13,12,4,2/rA:26COCOCCNCNCCONCCCCCCCCICCCN/rB:s1;s2;d3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s7;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-KFYGRPZJQWLVBV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702414,COC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,KFYGRPZJQWLVBV,KFYGRPZJQWLVBV-UHFFFAOYSA-N,"InChI=1S/C18H15IN4O3/c1-26-18(25)14-9-22(10-21-14)16-7-15-12-3-2-4-13(19)11(12)5-6-23(15)17(24)8-20-16/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,19,18,20,15,14,24,10,6,25,16,17,21,5,23,8,11,3,22,9,26,7,13,12,4,2/rA:26COCOCCNCNCCONCCCCCCCCICCCN/rB:s1;s2;d3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s7;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KFZBTHNKNHZQIS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11246786;CHEMBL190326,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1,KFZBTHNKNHZQIS,KFZBTHNKNHZQIS-UHFFFAOYSA-N,"InChI=1S/C23H16F3N3O/c24-23(25,26)18-13-11-17(12-14-18)22(30)27-21-15-20(16-7-3-1-4-8-16)28-29(21)19-9-5-2-6-10-19/h1-15H,(H,27,30)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,22,30,23,29,5,7,21,24,15,6,4,2,25,26,27,28,3,13,14,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25,26)/rA:30OCNCCCCCCCCCNNCCCCCCCCCCCFFFCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:240173;CHEMBL829868,PMID:15537338,2004.0,PubChemAID:240173;PMID:15537338,2010;2004,0,0;1,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-KGAPFJAKCNSQOZ_on_P18507_WT,Low,ChEMBL30,CHEMBL378201,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cncnc1,KGAPFJAKCNSQOZ,KGAPFJAKCNSQOZ-UHFFFAOYSA-N,"InChI=1S/C19H14FN9O/c1-28-16(23-11-25-28)9-30-19-17(12-6-21-10-22-7-12)15-8-24-26-18(29(15)27-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,22,7,28,4,25,13,18,23,6,24,12,9,19,27,29,5,21,3,20,10,2,11,8/E:(6,7)(21,22)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCNCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-KGAPFJAKCNSQOZ_on_P28472_WT,Low,ChEMBL30,CHEMBL378201,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cncnc1,KGAPFJAKCNSQOZ,KGAPFJAKCNSQOZ-UHFFFAOYSA-N,"InChI=1S/C19H14FN9O/c1-28-16(23-11-25-28)9-30-19-17(12-6-21-10-22-7-12)15-8-24-26-18(29(15)27-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,22,7,28,4,25,13,18,23,6,24,12,9,19,27,29,5,21,3,20,10,2,11,8/E:(6,7)(21,22)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCNCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-KGAPFJAKCNSQOZ_on_P34903_WT,Low,ChEMBL30,CHEMBL378201,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cncnc1,KGAPFJAKCNSQOZ,KGAPFJAKCNSQOZ-UHFFFAOYSA-N,"InChI=1S/C19H14FN9O/c1-28-16(23-11-25-28)9-30-19-17(12-6-21-10-22-7-12)15-8-24-26-18(29(15)27-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,22,7,28,4,25,13,18,23,6,24,12,9,19,27,29,5,21,3,20,10,2,11,8/E:(6,7)(21,22)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCNCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-KGAWYOXARZIJOP_on_Q14416_WT,High,ChEMBL30,CHEMBL595609,Cn1c(CN2CCN(c3nc4c(cccc4)s3)CC2)nc2c1cccc2,KGAWYOXARZIJOP,KGAWYOXARZIJOP-UHFFFAOYSA-N,"InChI=1S/C20H21N5S/c1-23-17-8-4-2-6-15(17)21-19(23)14-24-10-12-25(13-11-24)20-22-16-7-3-5-9-18(16)26-20/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,25,15,24,14,26,16,23,13,6,19,7,18,4,21,11,22,12,3,9,20,10,2,5,8,17/E:(10,11)(12,13)/rA:26CNCCNCCNCNCCCCCCSCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s8;s5s18;d3;s20;s2d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.500;  5.700,6.1,0.4,0.4,2.0,6.1,0.4
-KGBDMWFECNYBHH_on_Q14416_WT,High,ChEMBL30,CHEMBL3421840,CC1CN(c2cc(Cl)c(C(F)(F)F)cc2)C(=O)c2c(-c3cc(C#N)ncc3)cnn21,KGBDMWFECNYBHH,KGBDMWFECNYBHH-UHFFFAOYSA-N,"InChI=1S/C20H13ClF3N5O/c1-11-10-28(14-2-3-16(17(21)7-14)20(22,23)24)19(30)18-15(9-27-29(11)18)12-4-5-26-13(6-12)8-25/h2-7,9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,14,27,26,21,6,23,28,3,2,20,22,5,19,9,7,18,16,10,8,11,12,13,24,25,29,4,30,17/E:(22,23,24)/rA:30CCCNCCCClCCFFFCCCOCCCCCCNNCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s10;s10;s10;s9;s5d14;s4;d16;s16;d18;s19;d20;s21;s22;t23;d22;s25;s20d26;s19;d28;s2s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3424504,PMID:25699154,2015.0,PMID:25699154,2015,1,0,0,0,0,,=,  8.160,8.16,0.0,0.0,1.0,8.16,0.0
-KGBFNMXVPFHTFK_on_P31644_WT,High,ChEMBL30,CHEMBL3681604;CHEMBL3681603;CHEMBL3681602,CC(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,KGBFNMXVPFHTFK,KGBFNMXVPFHTFK-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O4/c1-12(9-24)22-19(25)14-4-7-17(21-8-14)26-10-15-11-27-23-18(15)13-2-5-16(20)6-3-13/h2-8,11-12,24H,9-10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,25,9,21,24,10,27,3,13,15,2,19,8,14,22,11,18,6,23,26,5,17,4,7,12,16/E:(2,3)(5,6)/rA:27CCCONCOCCCCOCCCONCCCCCFCCNC/rB:s1;s2;s3;s2;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.860;  7.560;  8.050,7.8229999999999995,0.20199999999999999,0.14300000000000002,3.0,7.86,0.19
-KGBYQNZLWZYVRX_on_P14867_WT,Low,ChEMBL30,CHEMBL366789,Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2,KGBYQNZLWZYVRX,KGBYQNZLWZYVRX-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-10-5-3-7-21-15(10)20-14-13-9-4-1-2-6-11(9)19-12(13)8-18-16(14)21/h1-8,19H","""AuxInfo=1/0/N:19,18,4,20,3,17,5,12,15,2,16,13,14,9,7,10,1,11,21,8,6/rA:21ClCCCCNCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-KGBYQNZLWZYVRX_on_P31644_WT,Low,ChEMBL30,CHEMBL366789,Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2,KGBYQNZLWZYVRX,KGBYQNZLWZYVRX-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-10-5-3-7-21-15(10)20-14-13-9-4-1-2-6-11(9)19-12(13)8-18-16(14)21/h1-8,19H","""AuxInfo=1/0/N:19,18,4,20,3,17,5,12,15,2,16,13,14,9,7,10,1,11,21,8,6/rA:21ClCCCCNCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGBYQNZLWZYVRX_on_P34903_WT,Low,ChEMBL30,CHEMBL366789,Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2,KGBYQNZLWZYVRX,KGBYQNZLWZYVRX-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-10-5-3-7-21-15(10)20-14-13-9-4-1-2-6-11(9)19-12(13)8-18-16(14)21/h1-8,19H","""AuxInfo=1/0/N:19,18,4,20,3,17,5,12,15,2,16,13,14,9,7,10,1,11,21,8,6/rA:21ClCCCCNCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-KGBYQNZLWZYVRX_on_P47869_WT,Low,ChEMBL30,CHEMBL366789,Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2,KGBYQNZLWZYVRX,KGBYQNZLWZYVRX-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-10-5-3-7-21-15(10)20-14-13-9-4-1-2-6-11(9)19-12(13)8-18-16(14)21/h1-8,19H","""AuxInfo=1/0/N:19,18,4,20,3,17,5,12,15,2,16,13,14,9,7,10,1,11,21,8,6/rA:21ClCCCCNCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-KGBYQNZLWZYVRX_on_Q16445_WT,Low,ChEMBL30,CHEMBL366789,Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2,KGBYQNZLWZYVRX,KGBYQNZLWZYVRX-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-10-5-3-7-21-15(10)20-14-13-9-4-1-2-6-11(9)19-12(13)8-18-16(14)21/h1-8,19H","""AuxInfo=1/0/N:19,18,4,20,3,17,5,12,15,2,16,13,14,9,7,10,1,11,21,8,6/rA:21ClCCCCNCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGEWJLJGQRBMRW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939714,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C#N)c3)n2)cc(C)n1,KGEWJLJGQRBMRW,KGEWJLJGQRBMRW-UHFFFAOYSA-N,"InChI=1S/C21H19ClN4O/c1-13-9-16(10-14(2)24-13)20-19-5-7-27-8-6-26(19)21(25-20)15-3-4-18(22)17(11-15)12-23/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,26,15,16,7,11,8,10,3,24,22,20,2,25,14,4,19,17,6,5,13,18,21,27,23,12,9/E:(1,2)(9,10)(13,14)/rA:27CCCCCCCCOCCNCCCCCClCCNCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;t20;s14d19;s5d13;d4;s24;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KGJIPHQCBIDCPF_on_Q13255_WT,High,ChEMBL30,CHEMBL1951875,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2F)c1=O,KGJIPHQCBIDCPF,KGJIPHQCBIDCPF-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)14-4-3-10(24-2)9-12(14)19/h3-9H,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,20,17,16,8,12,7,13,21,18,11,22,3,15,4,10,5,24,23,2,6,14,25,19,9/rA:25CNCCCNCCSCCCCNCCCCOCCCFCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s22;s10s14;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-KGNWRICPWILABJ_on_P14867_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-KGNWRICPWILABJ_on_P18507_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677847;CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.060;  6.410;  6.000,6.157,0.18100000000000002,0.128,3.0,6.06,0.06
-KGNWRICPWILABJ_on_P28472_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.410;  6.000,6.205,0.205,0.205,2.0,6.205,0.205
-KGNWRICPWILABJ_on_P34903_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KGNWRICPWILABJ_on_P47869_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-KGNWRICPWILABJ_on_P47870_WT,Low,ChEMBL30,CHEMBL286471,CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,KGNWRICPWILABJ,KGNWRICPWILABJ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,8,7,22,19,9,16,24,6,23,15,18,13,11,4,17,10,14,12,5,3/rA:24CCOCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-KGONGDWVMJGBMU_on_P41594_WT,Low,ChEMBL30,CHEMBL1289894,CN(CC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CC1)Cc1ccncc1,KGONGDWVMJGBMU,KGONGDWVMJGBMU-UHFFFAOYSA-N,"InChI=1S/C19H22Cl2N4O/c1-23(13-15-4-6-22-7-5-15)14-19(26)25-10-8-24(9-11-25)18-3-2-16(20)12-17(18)21/h2-7,12H,8-11,13-14H2,1H3","""AuxInfo=1/0/N:1,16,17,22,26,23,25,8,18,7,19,13,20,3,21,14,11,10,4,15,12,24,2,9,6,5/E:(4,5)(6,7)(8,9)(10,11)/rA:26CNCCONCCNCCClCCClCCCCCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s9;s6s18;s2;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.602,4.602,0.0,0.0,1.0,4.602,0.0
-KGPOTSSQCVGUOP_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799437,O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(C3CC3CO)n12,KGPOTSSQCVGUOP,KGPOTSSQCVGUOP-UHFFFAOYSA-N,"InChI=1S/C16H11ClF6N4O2S/c17-10-3-9(15(18,19)20)25-26(10)4-7-2-11(29)27-12(8-1-6(8)5-28)13(16(21,22)23)30-14(27)24-7/h2-3,6,8,28H,1,4-5H2","""AuxInfo=1/0/N:26,3,13,5,28,27,4,25,8,14,2,24,19,17,9,20,15,10,11,12,21,22,23,16,7,6,30,29,1,18/E:(18,19,20)(21,22,23)/rA:30OCCCCNNCCFFFCCClNCSCCFFFCCCCCON/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s9;s9;s8;s6d13;s14;s4;d16;s17;s18;s19;s20;s20;s20;d19;s24;s25;s25s26;s27;s28;s2s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-KGPOTSSQCVGUOP_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799437,O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(C3CC3CO)n12,KGPOTSSQCVGUOP,KGPOTSSQCVGUOP-UHFFFAOYSA-N,"InChI=1S/C16H11ClF6N4O2S/c17-10-3-9(15(18,19)20)25-26(10)4-7-2-11(29)27-12(8-1-6(8)5-28)13(16(21,22)23)30-14(27)24-7/h2-3,6,8,28H,1,4-5H2","""AuxInfo=1/0/N:26,3,13,5,28,27,4,25,8,14,2,24,19,17,9,20,15,10,11,12,21,22,23,16,7,6,30,29,1,18/E:(18,19,20)(21,22,23)/rA:30OCCCCNNCCFFFCCClNCSCCFFFCCCCCON/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s9;s9;s8;s6d13;s14;s4;d16;s17;s18;s19;s20;s20;s20;d19;s24;s25;s25s26;s27;s28;s2s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-KGQQZJWWWKYPSC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290496,CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(F)cc2)OC1,KGQQZJWWWKYPSC,KGQQZJWWWKYPSC-UHFFFAOYSA-N,"InChI=1S/C32H38FNO4/c1-31(2)22-37-32(38-23-31,26-9-11-27(33)12-10-26)16-6-17-34-18-15-25-19-28(13-14-29(25)30(35)20-34)36-21-24-7-4-3-5-8-24/h3-5,7-14,19,30,35H,6,15-18,20-23H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,24,8,21,25,31,36,32,35,16,15,12,7,9,11,26,29,19,4,38,20,13,30,33,17,14,27,2,6,34,10,28,18,5,37/E:(1,2)(4,5)(7,8)(9,10)(11,12)(22,23)(37,38)/rA:38CCCCOCCCCNCCCCCCCOCCCCCCCCCOCCCCCFCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;s14;s27;s10s27;s6;d30;s31;d32;s33;s33;s30d35;s6;s2s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KGQQZJWWWKYPSC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290496,CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(F)cc2)OC1,KGQQZJWWWKYPSC,KGQQZJWWWKYPSC-UHFFFAOYSA-N,"InChI=1S/C32H38FNO4/c1-31(2)22-37-32(38-23-31,26-9-11-27(33)12-10-26)16-6-17-34-18-15-25-19-28(13-14-29(25)30(35)20-34)36-21-24-7-4-3-5-8-24/h3-5,7-14,19,30,35H,6,15-18,20-23H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,24,8,21,25,31,36,32,35,16,15,12,7,9,11,26,29,19,4,38,20,13,30,33,17,14,27,2,6,34,10,28,18,5,37/E:(1,2)(4,5)(7,8)(9,10)(11,12)(22,23)(37,38)/rA:38CCCCOCCCCNCCCCCCCOCCCCCCCCCOCCCCCFCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;s14;s27;s10s27;s6;d30;s31;d32;s33;s33;s30d35;s6;s2s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KGRPWDPRMSZZBB_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1094124;44155748,CCCCCCC1CN(c2cc(O)ccc2)C(=O)O1,KGRPWDPRMSZZBB,KGRPWDPRMSZZBB-UHFFFAOYSA-N,"InChI=1S/C15H21NO3/c1-2-3-4-5-9-14-11-16(15(18)19-14)12-7-6-8-13(17)10-12/h6-8,10,14,17H,2-5,9,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,15,16,14,6,11,8,10,12,7,17,9,13,18,19/rA:19CCCCCCCCNCCCOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d12;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.710;  5.714,5.712000000000001,0.002,0.002,2.0,5.712000000000001,0.002
-KGSVTIOPRMVDLA_on_O15399_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_O60391_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_Q05586_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_Q12879_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_Q13224_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGSVTIOPRMVDLA_on_Q14957_WT,Low,ChEMBL30,CHEMBL244625,CN(C)c1ccc(C=NN=C(N)N)cc1,KGSVTIOPRMVDLA,KGSVTIOPRMVDLA-UHFFFAOYSA-N,"InChI=1S/C10H15N5/c1-15(2)9-5-3-8(4-6-9)7-13-14-10(11)12/h3-7H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,7,4,11,12,13,9,10,2/E:(1,2)(3,4)(5,6)(11,12)/rA:15CNCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KGVJKQUOKHIJJH_on_P14867_WT,Low,ChEMBL30,CHEMBL510963,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CO)c12,KGVJKQUOKHIJJH,KGVJKQUOKHIJJH-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,10,14,2,12,17,4/rA:18CNCOCCCCCClCNCNCCOC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-KGVJKQUOKHIJJH_on_P18507_WT,Low,ChEMBL30,CHEMBL510963,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CO)c12,KGVJKQUOKHIJJH,KGVJKQUOKHIJJH-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,10,14,2,12,17,4/rA:18CNCOCCCCCClCNCNCCOC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-KGVJKQUOKHIJJH_on_P28472_WT,Low,ChEMBL30,CHEMBL510963,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CO)c12,KGVJKQUOKHIJJH,KGVJKQUOKHIJJH-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,10,14,2,12,17,4/rA:18CNCOCCCCCClCNCNCCOC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-KGVJKQUOKHIJJH_on_P31644_WT,Low,ChEMBL30,CHEMBL510963,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CO)c12,KGVJKQUOKHIJJH,KGVJKQUOKHIJJH-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3","""AuxInfo=1/0/N:1,8,7,11,16,13,9,5,15,6,18,3,10,14,2,12,17,4/rA:18CNCOCCCCCClCNCNCCOC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;s16;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-KGZWRXWYLPRJCF_on_O15399_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_O60391_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_Q05586_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_Q12879_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_Q13224_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KGZWRXWYLPRJCF_on_Q14957_WT,Low,ChEMBL30,CHEMBL287671,c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1,KGZWRXWYLPRJCF,KGZWRXWYLPRJCF-UHFFFAOYSA-N,"InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)","""AuxInfo=1/1/N:1,2,28,20,3,27,19,6,26,7,25,21,11,23,10,24,15,13,4,5,14,8,18,17,22,16,12,9/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:28CCCCCCCCNCCNCCCNCCCCCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;s17d21;s12;s9s23;s8;s5d25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KHPSUGOOQYLHAO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL519341,CC1CN(Cc2ccc(-c3c(Cl)cccc3)cc2)C(=O)O1,KHPSUGOOQYLHAO,KHPSUGOOQYLHAO-UHFFFAOYSA-N,"InChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,7,18,8,17,3,5,2,6,9,10,11,19,12,4,20,21/E:(6,7)(8,9)/rA:21CCCNCCCCCCCClCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s11;d13;s14;s10d15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-KHQANWJGBXIMEV_on_P41594_WT,High,ChEMBL30,CHEMBL3605279,O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1cc(F)c(F)cc1)n2,KHQANWJGBXIMEV,KHQANWJGBXIMEV-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O3/c21-13-3-1-12(2-4-13)20(26)25-8-7-17-18(10-25)28-19(24-17)11-27-14-5-6-15(22)16(23)9-14/h1-6,9H,7-8,10-11H2","""AuxInfo=1/0/N:4,9,5,8,27,26,12,11,21,15,18,3,6,20,24,22,13,14,17,2,7,25,23,28,10,1,19,16/E:(1,2)(3,4)/rA:28OCCCCCFCCNCCCCCOCCOCCCFCFCCN/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;s22;d22;s24;s24;s20d26;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.190;  6.190,6.19,0.0,0.0,2.0,6.19,0.0
-KHTQLWFDNBGZGX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546514;CHEMBL3086718,COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCCC21,KHTQLWFDNBGZGX,KHTQLWFDNBGZGX-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15-6-5-7-16(14-15)10-11-20(23)12-13-21(19(22)24-2)18-9-4-3-8-17(18)20/h5-7,14,17-18,23H,3-4,8-9,12-13H2,1-2H3","""AuxInfo=1/0/N:17,1,21,22,14,15,13,20,23,11,10,7,6,18,16,12,19,24,3,8,5,4,9,2/rA:24COCONCCCOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s8;t10;s11;d12;s13;d14;s15;s16;s12d16;s8;s19;s20;s21;s22;s5s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.644;  6.640,6.642,0.002,0.002,2.0,6.642,0.002
-KHTQVNOASPZXBZ_on_P41594_WT,High,ChEMBL30,CHEMBL3644421,COCc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,KHTQVNOASPZXBZ,KHTQVNOASPZXBZ-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-15-4-5-17(22)21(13-2-3-13)16(15)6-7-26(18)20(27)9-23-19/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3","""AuxInfo=1/0/N:1,23,24,17,18,14,13,26,9,5,3,27,22,4,16,15,19,25,7,10,21,20,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-KHTQVNOASPZXBZ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644421,COCc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,KHTQVNOASPZXBZ,KHTQVNOASPZXBZ-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-15-4-5-17(22)21(13-2-3-13)16(15)6-7-26(18)20(27)9-23-19/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3","""AuxInfo=1/0/N:1,23,24,17,18,14,13,26,9,5,3,27,22,4,16,15,19,25,7,10,21,20,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s21;s22;s22s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-KHYXZFXTCZPFKO_on_Q14416_WT,High,ChEMBL30,CHEMBL3974648,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1,KHYXZFXTCZPFKO,KHYXZFXTCZPFKO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,24,21,23,25,5,18,17,7,10,14,6,26,4,2,11,1,27,19,3,22/E:(2,3)(4,5)(7,8)(9,10)/rA:27NCOCCCCCCCFCCCCCCCNCCOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-KHYXZFXTCZPFKO_on_Q14832_WT,Low,ChEMBL30,CHEMBL3974648,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1,KHYXZFXTCZPFKO,KHYXZFXTCZPFKO-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,24,21,23,25,5,18,17,7,10,14,6,26,4,2,11,1,27,19,3,22/E:(2,3)(4,5)(7,8)(9,10)/rA:27NCOCCCCCCCFCCCCCCCNCCOCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KICQPTHJQWBQOI_on_P14867_WT,Low,ChEMBL30,CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-KICQPTHJQWBQOI_on_P18507_WT,Low,ChEMBL30,CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL445856;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL445856,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL824296;CHEMBL822165;CHEMBL685338;CHEMBL823916;CHEMBL685338;CHEMBL683047;CHEMBL681248;CHEMBL681480;CHEMBL678329;CHEMBL683045;CHEMBL681480,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,2000;1998;1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.040;  7.160;  7.050;  6.800;  7.040;  8.430;  6.520;  7.160;  8.430;  7.050;  6.520;  6.800,7.167000000000001,0.603,0.182,12.0,7.045,0.18
-KICQPTHJQWBQOI_on_P28472_WT,Low,ChEMBL30,CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL445856;CHEMBL336636;CHEMBL336636;CHEMBL336636;CHEMBL445856;CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL824296;CHEMBL681248;CHEMBL683045;CHEMBL678329;CHEMBL685338;CHEMBL681480;CHEMBL822165;CHEMBL683047;CHEMBL823916;CHEMBL685338;CHEMBL682251,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039,2000;1998;2000;2000;2000;1998;2000;1998;1998;1998;1998;2000,0,0,0,1,0,,=,  8.430;  7.160;  7.160;  6.520;  7.050;  8.430;  6.800;  7.050;  6.520;  7.040;  6.800;  7.040,7.167000000000001,0.603,0.182,12.0,7.045,0.18
-KICQPTHJQWBQOI_on_P31644_WT,Low,ChEMBL30,CHEMBL445856;CHEMBL336636;CHEMBL445856;CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338;CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039,2000;1998;1998;2000,0,0,0,1,0,,=,  6.800;  8.430;  6.800;  8.430,7.615,0.815,0.47100000000000003,4.0,7.615,0.815
-KICQPTHJQWBQOI_on_P34903_WT,Low,ChEMBL30,CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.040;  7.040,7.04,0.0,0.0,2.0,7.04,0.0
-KICQPTHJQWBQOI_on_P47869_WT,Low,ChEMBL30,CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.160;  7.160,7.16,0.0,0.0,2.0,7.16,0.0
-KICQPTHJQWBQOI_on_Q16445_WT,Low,ChEMBL30,CHEMBL336636,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21,KICQPTHJQWBQOI,KICQPTHJQWBQOI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3","""AuxInfo=1/0/N:1,21,2,13,14,4,5,12,8,25,20,3,7,6,15,17,16,18,9,24,19,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d20;s18s22;s17;d24;s6s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.520;  6.520,6.52,0.0,0.0,2.0,6.52,0.0
-KIDRVLWOPFGWLW_on_Q05586_WT,Medium,ChEMBL30,CHEMBL114644,C(#Cc1ccc2[nH]ncc2c1)CN1CCC(Cc2ccccc2)CC1,KIDRVLWOPFGWLW,KIDRVLWOPFGWLW-UHFFFAOYSA-N,"InChI=1S/C22H23N3/c1-2-5-18(6-3-1)15-20-10-13-25(14-11-20)12-4-7-19-8-9-22-21(16-19)17-23-24-22/h1-3,5-6,8-9,16-17,20H,10-15H2,(H,23,24)","""AuxInfo=1/1/N:21,20,22,1,19,23,2,4,5,15,24,12,14,25,17,11,9,18,3,16,10,6,8,7,13/E:(2,3)(5,6)(10,11)(13,14)/rA:25CCCCCCNNCCCCNCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s6s9;s3d10;s1;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-KIDVQBGPSXLVGR_on_P41594_WT,Medium,ChEMBL30,CHEMBL187075,COC(=O)c1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1,KIDVQBGPSXLVGR,KIDVQBGPSXLVGR-UHFFFAOYSA-N,"InChI=1S/C20H14FN5O2/c1-28-20(27)14-6-4-5-13(9-14)15-10-16(21)12-17(11-15)26-24-19(23-25-26)18-7-2-3-8-22-18/h2-12H,1H3","""AuxInfo=1/0/N:1,24,23,7,8,6,25,22,28,11,27,14,9,5,10,12,15,20,19,3,13,21,18,26,17,16,4,2/rA:28COCOCCCCCCCCFCCNNNCCNCCCCNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;s16d19;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-KIHRXNGLVNMIHC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3892604,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cc(C4CC4)nc(C(F)(F)F)c2)c3)cn1,KIHRXNGLVNMIHC,KIHRXNGLVNMIHC-UHFFFAOYSA-N,"InChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33)","""AuxInfo=1/1/N:1,15,22,23,14,17,31,19,30,6,32,3,16,18,21,4,13,5,20,12,7,25,8,26,27,28,29,9,33,11,24,2,10/E:(3,4)(25,26,27)/rA:33CNCCCCCCNONCCCCCCCCCCCCNCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;s20;s21;s21s22;d20;s24;s25;s26;s26;s26;s18d25;s12d16;s4;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-KIKMVMBYJOLYAG_on_Q14416_WT,High,ChEMBL30,CHEMBL2206438,COc1c(C2CCN(c3c(C#N)c4nnc(CC(F)(F)F)n4cc3)CC2)cccc1F,KIKMVMBYJOLYAG,KIKMVMBYJOLYAG-UHFFFAOYSA-N,"InChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3","""AuxInfo=1/0/N:1,28,27,29,6,26,24,7,25,23,17,11,5,4,10,30,9,16,3,13,18,31,19,20,21,12,15,14,8,22,2/E:(5,6)(8,9)(23,24,25)/rA:31COCCCCCNCCCNCNNCCCFFFNCCCCCCCCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;t11;s10;d13;s14;d15;s16;s17;s18;s18;s18;s13s16;s22;s9d23;s8;s5s25;s4;d27;s28;s3d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-KINFPVWJGMJHBZ_on_P41594_WT,Low,ChEMBL30,CHEMBL2069371,O=C1CC(c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1,KINFPVWJGMJHBZ,KINFPVWJGMJHBZ-UHFFFAOYSA-N,"InChI=1S/C17H13FN4O2/c18-12-4-6-13(7-5-12)22-10-11(9-15(22)23)17-20-16(21-24-17)14-3-1-2-8-19-14/h1-8,11H,9-10H2","""AuxInfo=1/0/N:10,11,9,20,23,19,24,12,3,16,4,21,18,8,2,7,5,22,13,6,14,17,1,15/E:(4,5)(6,7)/rA:24OCCCCNCCCCCCNNOCNCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s4;s2s16;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KISVEYIIDMTDBM_on_P41594_WT,High,ChEMBL30,CHEMBL2151634,Cc1cccc(-c2noc(C3CCN3C(=O)c3ccc(C#N)cc3)n2)c1,KISVEYIIDMTDBM,KISVEYIIDMTDBM-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2/c1-13-3-2-4-16(11-13)18-22-19(26-23-18)17-9-10-24(17)20(25)15-7-5-14(12-21)6-8-15/h2-8,11,17H,9-10H2,1H3","""AuxInfo=1/0/N:1,4,3,5,19,23,18,24,12,13,26,21,2,20,17,6,11,7,10,15,22,25,8,14,16,9/E:(5,6)(7,8)/rA:26CCCCCCCNOCCCCNCOCCCCCNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;s14;d15;s15;d17;s18;d19;s20;t21;s20;s17d23;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KIVCLWIXIFBBDX_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771623,COc1cccc(-c2noc(C3CCCN(C(=O)C4CCC4)C3)n2)c1,KIVCLWIXIFBBDX,KIVCLWIXIFBBDX-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-24-16-9-3-7-14(11-16)17-20-18(25-21-17)15-8-4-10-22(12-15)19(23)13-5-2-6-13/h3,7,9,11,13,15H,2,4-6,8,10,12H2,1H3","""AuxInfo=1/0/N:1,21,5,14,20,22,6,13,4,15,25,23,19,7,12,3,8,11,17,24,9,16,18,2,10/E:(5,6)/rA:25COCCCCCCNOCCCCCNCOCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;s19s21;s12s16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-KIVQXKXZISOGBE_on_O00591_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_O14764_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P14867_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P18505_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P18507_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P28472_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P31644_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P34903_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P41594_WT,High,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  6.250;  6.310,6.28,0.03,0.03,2.0,6.28,0.03
-KIVQXKXZISOGBE_on_P47869_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P47870_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P48169_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_P78334_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIVQXKXZISOGBE_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410225,Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21,KIVQXKXZISOGBE,KIVQXKXZISOGBE-UHFFFAOYSA-N,"InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,17,3,16,4,7,13,10,25,18,2,6,15,5,14,8,1,9,24,11,26,12/E:(2,3)(4,5)/rA:26FCCCCCCCNCNNCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;d24;s5s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KIYMAJZMKUTYMU_on_O00222_WT,High,ChEMBL30,CHEMBL4074114,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)O,KIYMAJZMKUTYMU,KIYMAJZMKUTYMU-UHFFFAOYSA-N,"InChI=1S/C12H15F3NO5P/c13-12(14,15)8-3-1-7(2-4-8)11(19)22(20,21)6-5-9(16)10(17)18/h1-4,9,11,19H,5-6,16H2,(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,19,12,18,3,4,10,13,2,20,8,14,15,16,17,1,21,22,9,6,7,5/E:(1,2)(3,4)(13,14,15)(17,18)(20,21)/rA:22NCCCPOOCOCCCCCFFFCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-KIYMAJZMKUTYMU_on_Q14833_WT,High,ChEMBL30,CHEMBL4074114,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)O,KIYMAJZMKUTYMU,KIYMAJZMKUTYMU-UHFFFAOYSA-N,"InChI=1S/C12H15F3NO5P/c13-12(14,15)8-3-1-7(2-4-8)11(19)22(20,21)6-5-9(16)10(17)18/h1-4,9,11,19H,5-6,16H2,(H,17,18)(H,20,21)","""AuxInfo=1/1/N:11,19,12,18,3,4,10,13,2,20,8,14,15,16,17,1,21,22,9,6,7,5/E:(1,2)(3,4)(13,14,15)(17,18)(20,21)/rA:22NCCCPOOCOCCCCCFFFCCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-KJAVQPLSJJBPLF_on_P41594_WT,High,ChEMBL30,CHEMBL257885,Cc1cn2cccc2c(C#Cc2ccc(Cl)cc2)n1,KJAVQPLSJJBPLF,KJAVQPLSJJBPLF-UHFFFAOYSA-N,"InChI=1S/C16H11ClN2/c1-12-11-19-10-2-3-16(19)15(18-12)9-6-13-4-7-14(17)8-5-13/h2-5,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,6,7,13,18,11,14,17,10,5,3,2,12,15,9,8,16,19,4/E:(4,5)(7,8)/rA:19CCCNCCCCCCCCCCCClCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s2d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-KJDDJAPSHCVDDC_on_P18507_WT,Low,ChEMBL30,CHEMBL1783285,COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1,KJDDJAPSHCVDDC,KJDDJAPSHCVDDC-UHFFFAOYSA-N,"InChI=1S/C18H17FN6O3/c1-27-12-7-10(18(28-2)25-22-12)13-11(19)6-5-9-14(20)16(24-23-15(9)13)17(26)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,23)(H,21,26)","""AuxInfo=1/1/N:1,26,19,20,10,9,4,18,11,5,7,3,6,12,23,14,15,24,8,13,17,28,22,21,27,16,2,25/E:(3,4)/rA:28COCCCCCFCCCCNCCONCCCNNCCOCNN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s12;s14;d15;s15;s17;s18;s18s19;d14;s21;s6s11d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.250,9.25,0.0,0.0,1.0,9.25,0.0
-KJDDJAPSHCVDDC_on_P28472_WT,Low,ChEMBL30,CHEMBL1783285,COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1,KJDDJAPSHCVDDC,KJDDJAPSHCVDDC-UHFFFAOYSA-N,"InChI=1S/C18H17FN6O3/c1-27-12-7-10(18(28-2)25-22-12)13-11(19)6-5-9-14(20)16(24-23-15(9)13)17(26)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,23)(H,21,26)","""AuxInfo=1/1/N:1,26,19,20,10,9,4,18,11,5,7,3,6,12,23,14,15,24,8,13,17,28,22,21,27,16,2,25/E:(3,4)/rA:28COCCCCCFCCCCNCCONCCCNNCCOCNN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s12;s14;d15;s15;s17;s18;s18s19;d14;s21;s6s11d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.250,9.25,0.0,0.0,1.0,9.25,0.0
-KJDDJAPSHCVDDC_on_P47869_WT,Low,ChEMBL30,CHEMBL1783285,COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1,KJDDJAPSHCVDDC,KJDDJAPSHCVDDC-UHFFFAOYSA-N,"InChI=1S/C18H17FN6O3/c1-27-12-7-10(18(28-2)25-22-12)13-11(19)6-5-9-14(20)16(24-23-15(9)13)17(26)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,23)(H,21,26)","""AuxInfo=1/1/N:1,26,19,20,10,9,4,18,11,5,7,3,6,12,23,14,15,24,8,13,17,28,22,21,27,16,2,25/E:(3,4)/rA:28COCCCCCFCCCCNCCONCCCNNCCOCNN/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s12;s14;d15;s15;s17;s18;s18s19;d14;s21;s6s11d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.250,9.25,0.0,0.0,1.0,9.25,0.0
-KJEWSUMYPRQCGB_on_P41594_WT,Low,ChEMBL30,CHEMBL3735458,Fc1ccc(-c2noc(C3CCc4c(C3)nnn4-c3ccc(F)nc3)n2)cc1,KJEWSUMYPRQCGB,KJEWSUMYPRQCGB-UHFFFAOYSA-N,"InChI=1S/C19H14F2N6O/c20-13-4-1-11(2-5-13)18-23-19(28-25-18)12-3-7-16-15(9-12)24-26-27(16)14-6-8-17(21)22-10-14/h1-2,4-6,8,10,12H,3,7,9H2","""AuxInfo=1/0/N:4,27,11,3,28,20,12,21,15,25,5,10,2,19,14,13,22,6,9,1,23,24,26,16,7,17,18,8/E:(1,2)(4,5)/rA:28FCCCCCNOCCCCCCCNNNCCCCFNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s10s14;s14;d16;s13s17;s18;d19;s20;d21;s22;s22;s19d24;s6d9;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,<,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KJIKJSFCVJETRG_on_P41594_WT,High,ChEMBL30,CHEMBL401869,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cocc2)n1,KJIKJSFCVJETRG,KJIKJSFCVJETRG-UHFFFAOYSA-N,"InChI=1S/C15H9F3N2O/c1-10-7-20-8-12(15(16,17)18)6-14(20)13(19-10)3-2-11-4-5-21-9-11/h4-9H,1H3","""AuxInfo=1/0/N:1,15,14,20,19,11,3,5,17,2,16,6,13,12,7,8,9,10,21,4,18/E:(16,17,18)/rA:21CCCNCCCFFFCCCCCCCOCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;s16d19;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-KJMJZRGVFRRAFE_on_Q05586_WT,Low,ChEMBL30,CHEMBL4206877,O=C(Cn1cc(Cl)c2ncc(-c3ccc(F)cc3)cc21)N1CCC1,KJMJZRGVFRRAFE,KJMJZRGVFRRAFE-UHFFFAOYSA-N,"InChI=1S/C18H15ClFN3O/c19-15-10-23(11-17(24)22-6-1-7-22)16-8-13(9-21-18(15)16)12-2-4-14(20)5-3-12/h2-5,8-10H,1,6-7,11H2","""AuxInfo=1/0/N:23,13,18,14,17,22,24,19,10,5,3,12,11,15,6,20,2,8,7,16,9,21,4,1/E:(2,3)(4,5)(6,7)/rA:24OCCNCCClCNCCCCCCFCCCCNCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s15;s12d17;s11;s4s8d19;s2;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KJMJZRGVFRRAFE_on_Q13224_WT,Low,ChEMBL30,CHEMBL4206877,O=C(Cn1cc(Cl)c2ncc(-c3ccc(F)cc3)cc21)N1CCC1,KJMJZRGVFRRAFE,KJMJZRGVFRRAFE-UHFFFAOYSA-N,"InChI=1S/C18H15ClFN3O/c19-15-10-23(11-17(24)22-6-1-7-22)16-8-13(9-21-18(15)16)12-2-4-14(20)5-3-12/h2-5,8-10H,1,6-7,11H2","""AuxInfo=1/0/N:23,13,18,14,17,22,24,19,10,5,3,12,11,15,6,20,2,8,7,16,9,21,4,1/E:(2,3)(4,5)(6,7)/rA:24OCCNCCClCNCCCCCCFCCCCNCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s15;s12d17;s11;s4s8d19;s2;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KJMYFGDZNNIFLG_on_P14867_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-KJMYFGDZNNIFLG_on_P18507_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.570;  7.100;  7.460;  7.750,7.72,0.542,0.313,4.0,7.605,0.325
-KJMYFGDZNNIFLG_on_P28472_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460;  7.100;  8.570;  7.750,7.72,0.542,0.313,4.0,7.605,0.325
-KJMYFGDZNNIFLG_on_P31644_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-KJMYFGDZNNIFLG_on_P34903_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-KJMYFGDZNNIFLG_on_P47869_WT,Low,ChEMBL30,CHEMBL366471,Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KJMYFGDZNNIFLG,KJMYFGDZNNIFLG-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-11-29-26-17(13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,3,7,2,27,24,13,6,22,23,12,21,9,19,20,10,5,11,8,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCONCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-KJNPBRCRARGFOY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3941863,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C#N)nc2)c3)c(F)c1,KJNPBRCRARGFOY,KJNPBRCRARGFOY-UHFFFAOYSA-N,"InChI=1S/C24H18FN5O2/c1-32-16-5-7-17(20(25)9-16)19-10-22(24(27)31)30-21-8-14(4-6-18(19)21)2-3-15-12-28-23(11-26)29-13-15/h4-10,12-13H,2-3H2,1H3,(H2,27,31)","""AuxInfo=1/1/N:1,19,20,17,4,16,5,29,32,8,25,22,28,18,21,3,6,15,7,30,14,9,24,10,31,26,11,23,27,13,12,2/E:(12,13)(28,29)/rA:32COCCCCCCCCNONCCCCCCCCCNCCNNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;t25;s24;s21d27;s14d18;s6;s30;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-KJOJLXQBZIJMLX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950853,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1,KJOJLXQBZIJMLX,KJOJLXQBZIJMLX-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3S/c1-12-5-7-14(8-6-12)24(22,23)20-11-13(10-18-20)19-16(21)15-4-2-3-9-17-15/h2-11H,1H3,(H,19,21)","""AuxInfo=1/1/N:1,17,18,16,3,24,4,23,19,21,10,2,11,5,15,13,20,22,12,9,14,7,8,6/E:(5,6)(7,8)(22,23)/CRV:24.6/rA:24CCCCCSOONCCNCOCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s9d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KJOYRIVJBJOCQR_on_O15399_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_O60391_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_Q05586_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_Q12879_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_Q13224_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJOYRIVJBJOCQR_on_Q14957_WT,Low,ChEMBL30,CHEMBL78306,N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1,KJOYRIVJBJOCQR,KJOYRIVJBJOCQR-UHFFFAOYSA-N,"InChI=1S/C21H25N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,7,18,12,23,9,20,11,22,6,17,13,24,10,21,5,16,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;s5s9;d10;s11;s4d12;s2;s14;d15;s16;s17;s18;s19;s16s20;d21;s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KJPFVEHEGGIJIJ_on_P14867_WT,Low,ChEMBL30,CHEMBL296105,Cc1csc(-c2cc(-c3ccc[nH]3)c3-c4c(ccnc4)CCCn3c2=O)n1,KJPFVEHEGGIJIJ,KJPFVEHEGGIJIJ-UHFFFAOYSA-N,"InChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)16-10-15(18-5-2-7-23-18)19-17-11-22-8-6-14(17)4-3-9-25(19)21(16)26/h2,5-8,10-12,23H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,11,22,21,10,17,12,18,23,7,20,3,2,16,8,6,15,9,14,5,25,19,13,27,24,26,4/rA:27CCCSCCCCCCCCNCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-KJPFVEHEGGIJIJ_on_P18507_WT,Low,ChEMBL30,CHEMBL296105,Cc1csc(-c2cc(-c3ccc[nH]3)c3-c4c(ccnc4)CCCn3c2=O)n1,KJPFVEHEGGIJIJ,KJPFVEHEGGIJIJ-UHFFFAOYSA-N,"InChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)16-10-15(18-5-2-7-23-18)19-17-11-22-8-6-14(17)4-3-9-25(19)21(16)26/h2,5-8,10-12,23H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,11,22,21,10,17,12,18,23,7,20,3,2,16,8,6,15,9,14,5,25,19,13,27,24,26,4/rA:27CCCSCCCCCCCCNCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.380;  8.110,8.245,0.135,0.135,2.0,8.245,0.135
-KJPFVEHEGGIJIJ_on_P28472_WT,Low,ChEMBL30,CHEMBL296105,Cc1csc(-c2cc(-c3ccc[nH]3)c3-c4c(ccnc4)CCCn3c2=O)n1,KJPFVEHEGGIJIJ,KJPFVEHEGGIJIJ-UHFFFAOYSA-N,"InChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)16-10-15(18-5-2-7-23-18)19-17-11-22-8-6-14(17)4-3-9-25(19)21(16)26/h2,5-8,10-12,23H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,11,22,21,10,17,12,18,23,7,20,3,2,16,8,6,15,9,14,5,25,19,13,27,24,26,4/rA:27CCCSCCCCCCCCNCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.380;  8.110,8.245,0.135,0.135,2.0,8.245,0.135
-KJPFVEHEGGIJIJ_on_P34903_WT,Low,ChEMBL30,CHEMBL296105,Cc1csc(-c2cc(-c3ccc[nH]3)c3-c4c(ccnc4)CCCn3c2=O)n1,KJPFVEHEGGIJIJ,KJPFVEHEGGIJIJ-UHFFFAOYSA-N,"InChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)16-10-15(18-5-2-7-23-18)19-17-11-22-8-6-14(17)4-3-9-25(19)21(16)26/h2,5-8,10-12,23H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,11,22,21,10,17,12,18,23,7,20,3,2,16,8,6,15,9,14,5,25,19,13,27,24,26,4/rA:27CCCSCCCCCCCCNCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;d8;s14;d15;s16;d17;s18;s15d19;s16;s21;s22;s14s23;s6s24;d25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-KJXOYLQDVZEYJH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545807;CHEMBL3087226,Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)N2CCC2)ccc1,KJXOYLQDVZEYJH,KJXOYLQDVZEYJH-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-15-4-2-5-16(12-15)8-9-20(24)13-17-6-7-18(14-20)22(17)19(23)21-10-3-11-21/h2,4-5,12,17-18,24H,3,6-7,10-11,13-14H2,1H3","""AuxInfo=1/0/N:1,23,20,24,22,11,12,5,6,19,21,3,9,14,2,4,10,13,16,7,18,15,17,8/E:(6,7)(10,11)(13,14)(17,18)/rA:24CCCCCCCOCCCCCCNCONCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;d16;s16;s18;s19;s18s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.678;  6.680,6.678999999999999,0.001,0.001,2.0,6.678999999999999,0.001
-KJYKPKYOSOMVGJ_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,13302355;CHEMBL1209435,Cc1nc(C=Cc2ccccc2)ccn1,KJYKPKYOSOMVGJ,KJYKPKYOSOMVGJ-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-11-14-10-9-13(15-11)8-7-12-5-3-2-4-6-12/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,6,5,13,14,2,7,4,15,3/E:(3,4)(5,6)/rA:15CCNCCCCCCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:494939;CHEMBL1211365,PMID:20638279,2010.0,PubChemAID:494939;PMID:20638279,2011;2010,0,0;1,0,0,1;0,,=,  5.161;  5.160,5.16,0.0,0.0,2.0,5.16,0.0
-KJYYHPYHZVZSCP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL287831,CC1c2c(cccc2)Oc2c1c(C(N)(C(=O)O)C1CC1C(=O)O)ccc2,KJYYHPYHZVZSCP,KJYYHPYHZVZSCP-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-10-11-5-2-3-7-15(11)26-16-8-4-6-13(17(10)16)20(21,19(24)25)14-9-12(14)18(22)23/h2-8,10,12,14H,9,21H2,1H3,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:1,7,6,25,8,24,5,26,19,2,3,20,12,18,4,10,11,21,15,13,14,22,23,16,17,9/E:(22,23)(24,25)/rA:26CCCCCCCCOCCCCNCOOCCCCOOCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s9;s2d10;s11;s12;s13;s13;d15;s15;s13;s18;s18s19;s20;d21;s21;d12;s24;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717363,PMID:10229625,1999.0,PMID:10229625,1999,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-KKAWKXOIYYUHRX_on_O15399_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_O60391_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_Q12879_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKAWKXOIYYUHRX_on_Q14957_WT,Low,ChEMBL30,CHEMBL1196354,N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2,KKAWKXOIYYUHRX,KKAWKXOIYYUHRX-UHFFFAOYSA-N,"InChI=1S/C25H24F5N3/c26-19-17(20(27)22(29)23(30)21(19)28)6-5-16-3-1-2-4-18(16)32-24(31)33-25-10-13-7-14(11-25)9-15(8-13)12-25/h1-6,13-15H,7-12H2,(H3,31,32,33)","""AuxInfo=1/1/N:7,6,8,5,10,11,27,29,31,33,25,32,28,26,30,9,12,4,13,21,15,19,17,2,24,14,22,16,20,18,1,3,23/E:(7,8,9)(10,11,12)(13,14,15)(19,20)(21,22)(26,27)(28,29)/rA:33NCNCCCCCCCCCCFCFCFCFCFNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;s21;s2;s23;s24;s25;s26;s27;s28;s29;s26s30;s24s30;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKDJXCRUDBAQGK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114534,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1,KKDJXCRUDBAQGK,KKDJXCRUDBAQGK-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O/c1-12-8-16(9-13(2)26-12)20-19-6-7-29-14(3)11-28(19)22(27-20)15-4-5-17(21(24)25)18(23)10-15/h4-5,8-10,14,21H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,28,11,16,17,7,8,3,26,24,12,2,27,10,15,4,18,22,6,5,19,14,23,20,21,29,25,13,9/E:(1,2)(8,9)(12,13)(24,25)/rA:29CCCCCCCCOCCCNCCCCCCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s18;s22;s15d22;s5d14;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-KKDKLWVQFGWAST_on_P41594_WT,Medium,ChEMBL30,CHEMBL3900689,CC1(C)CCN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)C1,KKDKLWVQFGWAST,KKDKLWVQFGWAST-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-20(2)10-11-23(19(24)13-20)18-9-8-16(14-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12,14H,10-11,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,9,8,4,5,19,24,20,13,10,17,7,22,2,18,21,6,23/E:(1,2)/rA:24CCCCCNCCCCCCCCCCCFCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-KKEQIIHBKBKUNL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3982127,CC1(C)CCN(c2ccc(C#Cc3ccccc3)nn2)C(=O)C1,KKEQIIHBKBKUNL,KKEQIIHBKBKUNL-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)12-13-22(18(23)14-19)17-11-10-16(20-21-17)9-8-15-6-4-3-5-7-15/h3-7,10-11H,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,9,8,4,5,23,13,10,7,21,2,19,20,6,22/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCCCCCCCCCCCNNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-KKLZGWQBNXJWGZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1289626,Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,KKLZGWQBNXJWGZ,KKLZGWQBNXJWGZ-UHFFFAOYSA-N,"InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2","""AuxInfo=1/0/N:18,17,19,13,12,16,20,14,3,4,8,11,9,7,21,15,6,2,5,22,10,1,23/E:(2,3)(6,7)/rA:23OCCCCCCCCNCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1291109,PMID:20965739,2010.0,PMID:20965739,2010,1,0,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-KKLZGWQBNXJWGZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289626,Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,KKLZGWQBNXJWGZ,KKLZGWQBNXJWGZ-UHFFFAOYSA-N,"InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2","""AuxInfo=1/0/N:18,17,19,13,12,16,20,14,3,4,8,11,9,7,21,15,6,2,5,22,10,1,23/E:(2,3)(6,7)/rA:23OCCCCCCCCNCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4045543;CHEMBL1292494;CHEMBL3757723;CHEMBL1292492,PMID:20965739,2010.0,PMID:28797770;PMID:20965739;PMID:26750254;PMID:20965739,2017;2010;2016;2010,0;0;0;1,0,0,1;1;1;0,0,,=,  7.080;  7.850;  7.850;  7.730,7.627000000000001,0.32,0.185,4.0,7.79,0.06
-KKLZGWQBNXJWGZ_on_Q13224_WT,High,ChEMBL30,CHEMBL1289626,Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,KKLZGWQBNXJWGZ,KKLZGWQBNXJWGZ-UHFFFAOYSA-N,"InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2","""AuxInfo=1/0/N:18,17,19,13,12,16,20,14,3,4,8,11,9,7,21,15,6,2,5,22,10,1,23/E:(2,3)(6,7)/rA:23OCCCCCCCCNCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4685215,PMID:20965739,2010.0,PMID:32070917,2020,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-KKOMUMXAHMIGQB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164539;6463470,Fc1cc(-c2nc(-c3ncccc3)no2)ccc1,KKOMUMXAHMIGQB,KKOMUMXAHMIGQB-UHFFFAOYSA-N,InChI=1S/C13H8FN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H,"""AuxInfo=1/0/N:12,11,17,16,18,13,10,3,4,2,8,7,5,1,9,6,14,15/rA:18FCCCCNCCNCCCCNOCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  6.070;  6.073,6.072,0.002,0.002,2.0,6.072,0.002
-KKOSZUFBVHBOLY_on_P41594_WT,Low,ChEMBL30,CHEMBL493775,Cc1nc(NC(=O)c2ccc(Br)cc2)ccc1,KKOSZUFBVHBOLY,KKOSZUFBVHBOLY-UHFFFAOYSA-N,"InChI=1S/C13H11BrN2O/c1-9-3-2-4-12(15-9)16-13(17)10-5-7-11(14)8-6-10/h2-8H,1H3,(H,15,16,17)","""AuxInfo=1/1/N:1,16,17,15,9,14,10,13,2,8,11,4,6,12,3,5,7/E:(5,6)(7,8)/rA:17CCNCNCOCCCCBrCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKPUMEAADYXWBO_on_P41594_WT,High,ChEMBL30,CHEMBL1290549,O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,KKPUMEAADYXWBO,KKPUMEAADYXWBO-UHFFFAOYSA-N,"InChI=1S/C19H21ClN2O2/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)19(23)15-24-14-16-4-2-1-3-5-16/h1-9H,10-15H2","""AuxInfo=1/0/N:9,8,10,7,11,18,21,17,22,14,23,13,24,5,3,6,19,16,2,20,15,12,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCOCCCCCCCNCCNCCCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-KKSJGIYHSAGVMJ_on_O15399_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_O60391_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKSJGIYHSAGVMJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL130240,CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2,KKSJGIYHSAGVMJ,KKSJGIYHSAGVMJ-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15(3)4/h11H,5-10H2,1-4H3","""AuxInfo=1/0/N:9,12,1,3,7,13,5,10,15,14,6,8,11,4,2/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s8;s10;s11;s6s11;s4s11;s4s8;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KKUDURGNHUAQTM_on_P41594_WT,Low,ChEMBL30,CHEMBL1784070,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1,KKUDURGNHUAQTM,KKUDURGNHUAQTM-UHFFFAOYSA-N,"InChI=1S/C17H10BrN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCBrCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-KKUDURGNHUAQTM_on_Q13255_WT,High,ChEMBL30,CHEMBL1784070,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1,KKUDURGNHUAQTM,KKUDURGNHUAQTM-UHFFFAOYSA-N,"InChI=1S/C17H10BrN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCBrCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-KKXFVUZLEPUQCF_on_P31644_WT,High,ChEMBL30,CHEMBL3681479,Cc1c(CNc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(F)cc2)no1,KKXFVUZLEPUQCF,KKXFVUZLEPUQCF-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O2/c1-12(2)24-20(26)15-6-9-18(22-10-15)23-11-17-13(3)27-25-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,22,23)(H,24,26)","""AuxInfo=1/1/N:14,15,1,20,25,8,21,24,7,16,4,13,2,19,9,22,3,6,18,10,23,17,5,12,26,11,27/E:(1,2)(4,5)(7,8)/rA:27CCCCNCCCCCONCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-KKXPFXBGMGQSMA_on_P14867_WT,Low,ChEMBL30,CHEMBL487687,CCCCC(=O)c1c(O)c2c(ccc(Cc3ncccc3)c2)nc1,KKXPFXBGMGQSMA,KKXPFXBGMGQSMA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,19,21,4,13,12,18,15,22,24,14,16,10,7,11,5,8,17,23,6,9/rA:24CCCCCOCCOCCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-KKXPFXBGMGQSMA_on_P18507_WT,Low,ChEMBL30,CHEMBL487687,CCCCC(=O)c1c(O)c2c(ccc(Cc3ncccc3)c2)nc1,KKXPFXBGMGQSMA,KKXPFXBGMGQSMA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,19,21,4,13,12,18,15,22,24,14,16,10,7,11,5,8,17,23,6,9/rA:24CCCCCOCCOCCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-KKXPFXBGMGQSMA_on_P47870_WT,Low,ChEMBL30,CHEMBL487687,CCCCC(=O)c1c(O)c2c(ccc(Cc3ncccc3)c2)nc1,KKXPFXBGMGQSMA,KKXPFXBGMGQSMA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,19,21,4,13,12,18,15,22,24,14,16,10,7,11,5,8,17,23,6,9/rA:24CCCCCOCCOCCCCCCCNCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-KKZVYGIANGOHBS_on_O00222_WT,Low,ChEMBL30,CHEMBL579062,Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1ccc(F)cc1F,KKZVYGIANGOHBS,KKZVYGIANGOHBS-UHFFFAOYSA-N,"InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,5,22,6,21,16,25,14,11,2,4,15,23,7,26,20,3,8,24,27,17,18,10,19,9/E:(1,2)/rA:27CCCCCCCCONCCCCCCNNNCCCCFCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1045181,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKZVYGIANGOHBS_on_Q13255_WT,Low,ChEMBL30,CHEMBL579062,Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1ccc(F)cc1F,KKZVYGIANGOHBS,KKZVYGIANGOHBS-UHFFFAOYSA-N,"InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,5,22,6,21,16,25,14,11,2,4,15,23,7,26,20,3,8,24,27,17,18,10,19,9/E:(1,2)/rA:27CCCCCCCCONCCCCCCNNNCCCCFCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1045183,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KKZVYGIANGOHBS_on_Q14416_WT,Low,ChEMBL30,CHEMBL579062,Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1ccc(F)cc1F,KKZVYGIANGOHBS,KKZVYGIANGOHBS-UHFFFAOYSA-N,"InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,5,22,6,21,16,25,14,11,2,4,15,23,7,26,20,3,8,24,27,17,18,10,19,9/E:(1,2)/rA:27CCCCCCCCONCCCCCCNNNCCCCFCCF/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1045180,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KLBLIQLOPBRDNC_on_O15399_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_O60391_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_Q05586_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_Q12879_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_Q13224_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBLIQLOPBRDNC_on_Q14957_WT,Low,ChEMBL30,CHEMBL43869,Oc1nc2c(cc3ccccc3c2)nc1O,KLBLIQLOPBRDNC,KLBLIQLOPBRDNC-UHFFFAOYSA-N,"InChI=1S/C12H8N2O2/c15-11-12(16)14-10-6-8-4-2-1-3-7(8)5-9(10)13-11/h1-6H,(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,10,8,11,6,13,7,12,5,4,15,2,14,3,16,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s5;s2d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-KLBMYBGRAWBIRM_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647542,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)c(F)c1,KLBMYBGRAWBIRM,KLBMYBGRAWBIRM-UHFFFAOYSA-N,"InChI=1S/C23H20F2N4O2S/c1-2-32(30,31)16-7-8-17(21(25)11-16)18-10-14(6-9-20(18)24)19-12-27-28-23-22(19)26-13-29(23)15-4-3-5-15/h6-13,15H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,24,23,25,26,7,8,27,11,32,14,20,12,22,6,9,10,13,28,30,18,17,29,31,19,15,16,21,4,5,3/E:(4,5)(30,31)/CRV:32.6/rA:32CCSOOCCCCCCCCCNNCCNCNCCCCCCCFCFC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s23;s22s24;d12;s26;s10d27;s28;s9;s30;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-KLCJMNXGNQFUAQ_on_O15399_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_O60391_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLCJMNXGNQFUAQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL291161,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O,KLCJMNXGNQFUAQ,KLCJMNXGNQFUAQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-3-1-4(11)6-5(2-3)12-9(15)7(8(6)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:12,9,10,13,8,7,4,5,16,11,14,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s13;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-KLDWQBZKNJLAAM_on_P41594_WT,High,ChEMBL30,CHEMBL2069388,CC(c1ccccc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O,KLDWQBZKNJLAAM,KLDWQBZKNJLAAM-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2/c1-13(14-6-3-2-4-7-14)24-12-16(11-18(24)25)20-22-19(23-26-20)15-8-5-9-17(21)10-15/h2-10,13,16H,11-12H2,1H3","""AuxInfo=1/0/N:1,6,5,7,17,4,8,16,18,21,24,10,2,3,15,11,19,25,14,12,20,13,22,9,26,23/E:(3,4)(6,7)/rA:26CCCCCCCCNCCCNCCCCCCClCNOCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s11;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KLHJHSNJATWQEL_on_Q14416_WT,High,ChEMBL30,CHEMBL3337505,CC(C)CCn1ccc(N2CCN(c3ccccc3)CC2)c(C#N)c1=O,KLHJHSNJATWQEL,KLHJHSNJATWQEL-UHFFFAOYSA-N,"InChI=1S/C21H26N4O/c1-17(2)8-10-25-11-9-20(19(16-22)21(25)26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-7,9,11,17H,8,10,12-15H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,4,8,5,7,12,20,11,21,23,2,14,22,9,25,24,13,10,6,26/E:(1,2)(4,5)(6,7)(12,13)(14,15)/rA:26CCCCCNCCCNCCNCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;s10s20;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-KLJGHEAFIHJOQP_on_P41594_WT,High,ChEMBL30,CHEMBL3601909,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCCCC3)cn2)cn1,KLJGHEAFIHJOQP,KLJGHEAFIHJOQP-UHFFFAOYSA-N,"InChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,24,23,25,22,26,3,4,18,19,10,27,29,2,21,11,5,8,12,7,14,16,9,17,30,28,6,13,15,20/E:(3,4)(5,6)/rA:30CCCCCNCCClCCCNCOCNCCSCCCCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s22;s23;s24;s21s25;s11;s7d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-KLJKGKMNKZTMMQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3349198;76313584,COC(=O)N1C2CCCC1CC(O)(C#Cc1cccc(C)c1)C2,KLJKGKMNKZTMMQ,KLJKGKMNKZTMMQ-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(11-14)9-10-19(22)12-16-7-4-8-17(13-19)20(16)18(21)23-2/h3,5-6,11,16-17,22H,4,7-8,12-13H2,1-2H3","""AuxInfo=1/0/N:21,1,18,8,19,17,7,9,15,14,22,23,11,20,16,6,10,3,12,5,4,13,2/E:(7,8)(12,13)(16,17)/rA:23COCONCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s10;s11;s12;s12;t14;s15;d16;s17;d18;s19;s20;s16d20;s6s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  5.990;  5.991,5.99,0.0,0.0,2.0,5.99,0.0
-KLKHVLINJXRNBG_on_P14867_WT,Low,ChEMBL30,CHEMBL223324,Oc1noc(C2CCNCC2)c1-c1cc(-c2ccccc2)ccc1,KLKHVLINJXRNBG,KLKHVLINJXRNBG-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,23,17,21,22,24,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063;CHEMBL917169;CHEMBL1117063;CHEMBL917169,PMID:17375905,2007.0,PMID:20355712;PMID:17375905;PMID:20355712;PMID:17375905,2010;2007;2010;2007,1;0;1;0,0,0,0;1;0;1,0,,=,  7.110;  8.000;  7.110;  8.020,7.56,0.45,0.26,4.0,7.555,0.445
-KLKHVLINJXRNBG_on_P18507_WT,Low,ChEMBL30,CHEMBL223324,Oc1noc(C2CCNCC2)c1-c1cc(-c2ccccc2)ccc1,KLKHVLINJXRNBG,KLKHVLINJXRNBG-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,23,17,21,22,24,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063;CHEMBL917169;CHEMBL917169;CHEMBL1117063,PMID:17375905,2007.0,PMID:20355712;PMID:17375905;PMID:17375905;PMID:20355712,2010;2007;2007;2010,1;0;0;1,0,0,0;1;1;0,0,,=,  7.110;  8.000;  8.020;  7.110,7.56,0.45,0.26,4.0,7.555,0.445
-KLKHVLINJXRNBG_on_P28472_WT,Low,ChEMBL30,CHEMBL223324,Oc1noc(C2CCNCC2)c1-c1cc(-c2ccccc2)ccc1,KLKHVLINJXRNBG,KLKHVLINJXRNBG-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,23,17,21,22,24,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.000;  8.020,8.01,0.01,0.01,2.0,8.01,0.01
-KLKHVLINJXRNBG_on_P47870_WT,Low,ChEMBL30,CHEMBL223324,Oc1noc(C2CCNCC2)c1-c1cc(-c2ccccc2)ccc1,KLKHVLINJXRNBG,KLKHVLINJXRNBG-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,23,17,21,22,24,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  7.110;  7.110,7.11,0.0,0.0,2.0,7.11,0.0
-KLKXUUJVRIZEHH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110153,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F,KLKXUUJVRIZEHH,KLKXUUJVRIZEHH-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O3/c1-13-10-15(6-8-26-13)20-17-7-9-30-14(2)12-28(17)21(27-20)16-4-5-18(19(11-16)29-3)31-22(23,24)25/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:14,21,1,24,25,10,17,11,18,15,4,22,13,20,9,5,16,26,3,8,6,28,29,30,31,12,7,23,2,19,27/E:(23,24,25)/rA:31COCCCCNCCCCNCCCCCCOCCCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-KLMGMSFWQGMDTB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3949621,CC1(C)CCN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)O1,KLMGMSFWQGMDTB,KLMGMSFWQGMDTB-UHFFFAOYSA-N,"InChI=1S/C19H17FN2O2/c1-19(2)11-12-22(18(23)24-19)17-10-7-15(13-21-17)4-3-14-5-8-16(20)9-6-14/h5-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,14,19,9,15,18,8,4,5,20,13,10,16,7,22,2,17,21,6,23,24/E:(1,2)(5,6)(8,9)/rA:24CCCCCNCCCCCCCCCCFCCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-KLNYAVJEWANGJP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11358285;CHEMBL214640,Cc1nc(C#CCOc2cc(Cl)c(Cl)cc2)ccc1,KLNYAVJEWANGJP,KLNYAVJEWANGJP-UHFFFAOYSA-N,"InChI=1S/C15H11Cl2NO/c1-11-4-2-5-12(18-11)6-3-9-19-13-7-8-14(16)15(17)10-13/h2,4-5,7-8,10H,9H2,1H3","""AuxInfo=1/0/N:1,18,6,19,17,5,16,15,7,10,2,4,9,13,11,14,12,3,8/rA:19CCNCCCCOCCCClCClCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270777;CHEMBL864285,PMID:16839764,2006.0,PubChemAID:270777;PMID:16839764,2010;2006,0;1,0,0,0,1;0,,=,  7.824;  7.820,7.822,0.002,0.002,2.0,7.822,0.002
-KLOKNVATJCZZAJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634436,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1,KLOKNVATJCZZAJ,KLOKNVATJCZZAJ-UHFFFAOYSA-N,"InChI=1S/C19H12FN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,9,27,26,24,2,7,14,18,10,15,3,4,12,16,19,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCFCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.700;  6.700,6.7,0.0,0.0,2.0,6.7,0.0
-KLOKNVATJCZZAJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634436,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1,KLOKNVATJCZZAJ,KLOKNVATJCZZAJ-UHFFFAOYSA-N,"InChI=1S/C19H12FN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,9,27,26,24,2,7,14,18,10,15,3,4,12,16,19,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCFCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-KLPMCAKLBRUQAT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71720147;CHEMBL2338575;CHEMBL2338575,O=C(NC1CCCC(NC(=O)c2ncccn2)C1)c1cc(Cl)ccc1,KLPMCAKLBRUQAT,KLPMCAKLBRUQAT-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4O2/c19-13-5-1-4-12(10-13)17(24)22-14-6-2-7-15(11-14)23-18(25)16-20-8-3-9-21-16/h1,3-5,8-10,14-15H,2,6-7,11H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:24,6,15,25,23,5,7,14,16,20,18,19,21,4,8,12,2,10,22,13,17,3,9,1,11/E:(8,9)(20,21)/rA:25OCNCCCCCNCOCNCCCNCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s4s8;s2;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:729738;CHEMBL2343303;CHEMBL2343304,PMID:23357634,2013.0,PubChemAID:729738;PMID:23357634;PMID:23357634,2013,0;0;1,0,0,0;1;0,1;0;0,,=,  6.372;  5.420;  6.370,6.053999999999999,0.44799999999999995,0.317,3.0,6.37,0.002
-KLYZZUJGFXJUMA_on_Q13255_WT,Low,ChEMBL30,CHEMBL89293,CCC1=C(C(=O)OCN(C)C)C(c2c(OC)cccc2)N2C=C(c3c(Cl)cccc3Cl)SC2=N1,KLYZZUJGFXJUMA,KLYZZUJGFXJUMA-UHFFFAOYSA-N,"InChI=1S/C25H25Cl2N3O3S/c1-5-18-22(24(31)33-14-29(2)3)23(15-9-6-7-12-19(15)32-4)30-13-20(34-25(30)28-18)21-16(26)10-8-11-17(21)27/h6-13,23H,5,14H2,1-4H3","""AuxInfo=1/0/N:1,10,11,16,2,19,18,28,20,27,29,17,22,8,13,25,30,3,14,23,24,4,12,5,33,26,31,34,9,21,6,15,7,32/E:(2,3)(10,11)(16,17)(26,27)/rA:34CCCCCOOCNCCCCCOCCCCCNCCCCClCCCCClSCN/rB:s1;s2;w?3;s4;d5;s5;s7;s8;s9;s9;s4;s12;d13;s14;s15;s14;d17;s18;s13d19;s12;s21;w?22;s23;d24;s25;s25;d27;s28;s24d29;s30;s23;s21s32;s3w?33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KLYZZUJGFXJUMA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL89293,CCC1=C(C(=O)OCN(C)C)C(c2c(OC)cccc2)N2C=C(c3c(Cl)cccc3Cl)SC2=N1,KLYZZUJGFXJUMA,KLYZZUJGFXJUMA-UHFFFAOYSA-N,"InChI=1S/C25H25Cl2N3O3S/c1-5-18-22(24(31)33-14-29(2)3)23(15-9-6-7-12-19(15)32-4)30-13-20(34-25(30)28-18)21-16(26)10-8-11-17(21)27/h6-13,23H,5,14H2,1-4H3","""AuxInfo=1/0/N:1,10,11,16,2,19,18,28,20,27,29,17,22,8,13,25,30,3,14,23,24,4,12,5,33,26,31,34,9,21,6,15,7,32/E:(2,3)(10,11)(16,17)(26,27)/rA:34CCCCCOOCNCCCCCOCCCCCNCCCCClCCCCClSCN/rB:s1;s2;w?3;s4;d5;s5;s7;s8;s9;s9;s4;s12;d13;s14;s15;s14;d17;s18;s13d19;s12;s21;w?22;s23;d24;s25;s25;d27;s28;s24d29;s30;s23;s21s32;s3w?33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KLYZZUJGFXJUMA_on_Q14833_WT,Low,ChEMBL30,CHEMBL89293,CCC1=C(C(=O)OCN(C)C)C(c2c(OC)cccc2)N2C=C(c3c(Cl)cccc3Cl)SC2=N1,KLYZZUJGFXJUMA,KLYZZUJGFXJUMA-UHFFFAOYSA-N,"InChI=1S/C25H25Cl2N3O3S/c1-5-18-22(24(31)33-14-29(2)3)23(15-9-6-7-12-19(15)32-4)30-13-20(34-25(30)28-18)21-16(26)10-8-11-17(21)27/h6-13,23H,5,14H2,1-4H3","""AuxInfo=1/0/N:1,10,11,16,2,19,18,28,20,27,29,17,22,8,13,25,30,3,14,23,24,4,12,5,33,26,31,34,9,21,6,15,7,32/E:(2,3)(10,11)(16,17)(26,27)/rA:34CCCCCOOCNCCCCCOCCCCCNCCCCClCCCCClSCN/rB:s1;s2;w?3;s4;d5;s5;s7;s8;s9;s9;s4;s12;d13;s14;s15;s14;d17;s18;s13d19;s12;s21;w?22;s23;d24;s25;s25;d27;s28;s24d29;s30;s23;s21s32;s3w?33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KLZWKZWLWJDBDJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676490,Cc1c(COc2ccc(C(=O)NC3CCCN(C(=O)OC(C)(C)C)C3)cn2)c(-c2ccccc2)no1,KLZWKZWLWJDBDJ,KLZWKZWLWJDBDJ-UHFFFAOYSA-N,"InChI=1S/C27H32N4O5/c1-18-22(24(30-36-18)19-9-6-5-7-10-19)17-34-23-13-12-20(15-28-23)25(32)29-21-11-8-14-31(16-21)26(33)35-27(2,3)4/h5-7,9-10,12-13,15,21H,8,11,14,16-17H2,1-4H3,(H,29,32)","""AuxInfo=1/1/N:1,22,23,24,32,31,33,15,30,34,14,8,7,16,26,25,4,2,29,9,13,3,6,28,10,18,21,27,12,35,17,11,19,5,20,36/E:(2,3,4)(6,7)(9,10)/rA:36CCCCOCCCCCONCCCCNCOOCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s21;s21;s13s17;s9;s6d26;s3;s28;d29;s30;d31;s32;s29d33;d28;s2s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-KLZWZCINHLIPCJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953950,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C1)cc2,KLZWZCINHLIPCJ,KLZWZCINHLIPCJ-UHFFFAOYSA-N,"InChI=1S/C28H35F3N4O3/c1-26(2,3)16-35-21-12-11-20(32-23(21)34(6)25(35)37)18-13-14-27(4,5)22(15-18)33-24(36)17-7-9-19(10-8-17)38-28(29,30)31/h7-12,18,22H,13-16H2,1-6H3,(H,33,36)","""AuxInfo=1/1/N:8,9,10,19,20,1,26,35,27,34,37,38,16,17,36,6,25,15,28,14,11,21,12,23,3,7,18,30,31,32,33,13,22,2,5,24,4,29/E:(1,2,3)(4,5)(7,8)(9,10)(29,30,31)/rA:38CNCONCCCCCCCNCCCCCCCCNCOCCCCOCFFFCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s18;s18;s21;s22;d23;s23;d25;s26;d27;s28;s29;s30;s30;s30;s28;s25d34;s15s21;s14;s11d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-KMGQMDWTLIZLHG_on_P14867_WT,Low,ChEMBL30,CHEMBL203768,FC(F)(F)c1nc2ncc(-c3nc(Br)ccc3)n2cc1,KMGQMDWTLIZLHG,KMGQMDWTLIZLHG-UHFFFAOYSA-N,"InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H","""AuxInfo=1/0/N:16,17,15,20,19,9,11,10,5,13,7,2,14,1,3,4,8,12,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCBrCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-KMGQMDWTLIZLHG_on_P18507_WT,Low,ChEMBL30,CHEMBL203768,FC(F)(F)c1nc2ncc(-c3nc(Br)ccc3)n2cc1,KMGQMDWTLIZLHG,KMGQMDWTLIZLHG-UHFFFAOYSA-N,"InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H","""AuxInfo=1/0/N:16,17,15,20,19,9,11,10,5,13,7,2,14,1,3,4,8,12,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCBrCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.170;  9.510,9.34,0.17,0.17,2.0,9.34,0.17
-KMGQMDWTLIZLHG_on_P28472_WT,Low,ChEMBL30,CHEMBL203768,FC(F)(F)c1nc2ncc(-c3nc(Br)ccc3)n2cc1,KMGQMDWTLIZLHG,KMGQMDWTLIZLHG-UHFFFAOYSA-N,"InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H","""AuxInfo=1/0/N:16,17,15,20,19,9,11,10,5,13,7,2,14,1,3,4,8,12,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCBrCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.510;  9.170,9.34,0.17,0.17,2.0,9.34,0.17
-KMGQMDWTLIZLHG_on_P34903_WT,Low,ChEMBL30,CHEMBL203768,FC(F)(F)c1nc2ncc(-c3nc(Br)ccc3)n2cc1,KMGQMDWTLIZLHG,KMGQMDWTLIZLHG-UHFFFAOYSA-N,"InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H","""AuxInfo=1/0/N:16,17,15,20,19,9,11,10,5,13,7,2,14,1,3,4,8,12,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCBrCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-KMGZNJPEAFRRAY_on_P31644_WT,High,ChEMBL30,CHEMBL3681618,O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,KMGZNJPEAFRRAY,KMGZNJPEAFRRAY-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N3O3/c19-14-4-1-11(2-5-14)16-13(9-28-25-16)8-27-15-6-3-12(7-23-15)17(26)24-10-18(20,21)22/h1-7,9H,8,10H2,(H,24,26)","""AuxInfo=1/1/N:21,26,10,22,25,11,28,14,16,4,20,9,15,23,12,19,2,5,24,6,7,8,27,3,18,1,13,17/E:(1,2)(4,5)(20,21,22)/rA:28OCNCCFFFCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-KMHZVMJTCPJKKY_on_P41594_WT,High,ChEMBL30,CHEMBL4070152,O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,KMHZVMJTCPJKKY,KMHZVMJTCPJKKY-UHFFFAOYSA-N,"InChI=1S/C21H11F4NO2S/c22-13-3-1-12(2-4-13)21-18-6-5-14(23)10-19(18)26-11-20(21)29(27,28)17-8-15(24)7-16(25)9-17/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,20,8,5,11,16,13,23,26,17,6,9,4,21,15,12,22,27,18,7,10,14,1,3,2/E:(1,2)(3,4)(8,9)(15,16)(24,25)(27,28)/CRV:29.6/rA:29OSOCCCFCCFCCCNCCCFCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KMKBEESNZAPKMP_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL593013;CHEMBL593013;CHEMBL593013;9868580;CHEMBL593013,Cc1c(C)c2c(cc1OCc1cccc(-c3ccc(C(=O)O)cc3)c1)CC(C1CCCC1)C2=O,KMKBEESNZAPKMP,KMKBEESNZAPKMP-UHFFFAOYSA-N,"InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)","""AuxInfo=1/1/N:1,4,30,31,13,12,29,32,14,17,24,18,23,25,26,7,10,2,3,11,16,28,19,15,6,27,8,5,33,20,34,21,22,9/E:(3,4)(7,8)(10,11)(12,13)(32,33)/rA:34CCCCCCCCOCCCCCCCCCCCOOCCCCCCCCCCCO/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s11d15;s6;s26;s27;s28;s29;s30;s28s31;s5s27;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687;CHEMBL4040509;CHEMBL4040507;PubChemAID:451968;CHEMBL4040508,PubChemAID:451968,2010.0,PMID:19932615;PMID:28704052;PMID:28704052;PubChemAID:451968;PMID:28704052,2010;2017;2017;2010;2017,0,1;0;0;0;1,0;0;1;0;0,0;1;0;0;0,0;0;0;1;0,,=,  7.560;  7.220;  6.720;  7.560;  7.030,7.218,0.322,0.161,5.0,7.22,0.34
-KMMFALOSJFTXBS_on_P41594_WT,High,ChEMBL30,CHEMBL398944,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(S(N)(=O)=O)cc1,KMMFALOSJFTXBS,KMMFALOSJFTXBS-UHFFFAOYSA-N,"InChI=1S/C18H15N5O3S/c1-12-21-17-16(11-20-23(17)14-5-3-2-4-6-14)18(24)22(12)13-7-9-15(10-8-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)","""AuxInfo=1/1/N:1,12,11,13,10,14,19,27,20,26,6,2,18,9,21,5,4,15,23,7,3,17,8,16,24,25,22/E:(3,4)(5,6)(7,8)(9,10)(25,26)/CRV:27.6/rA:27CCNCCCNNCCCCCCCONCCCCSNOOCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KMMFALOSJFTXBS_on_Q13255_WT,Low,ChEMBL30,CHEMBL398944,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(S(N)(=O)=O)cc1,KMMFALOSJFTXBS,KMMFALOSJFTXBS-UHFFFAOYSA-N,"InChI=1S/C18H15N5O3S/c1-12-21-17-16(11-20-23(17)14-5-3-2-4-6-14)18(24)22(12)13-7-9-15(10-8-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)","""AuxInfo=1/1/N:1,12,11,13,10,14,19,27,20,26,6,2,18,9,21,5,4,15,23,7,3,17,8,16,24,25,22/E:(3,4)(5,6)(7,8)(9,10)(25,26)/CRV:27.6/rA:27CCNCCCNNCCCCCCCONCCCCSNOOCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KMNIFQAGTKOYRD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3897537,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC(O)CC3C(N)=O)cc2n1,KMNIFQAGTKOYRD,KMNIFQAGTKOYRD-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3/c23-14-4-2-13(3-5-14)17-9-19(21(24)29)26-18-7-12(1-6-16(17)18)10-27-11-15(28)8-20(27)22(25)30/h1-7,9,15,20,28H,8,10-11H2,(H2,24,29)(H2,25,30)","""AuxInfo=1/1/N:16,8,13,9,12,15,28,23,5,18,20,17,7,10,21,14,6,29,4,24,2,25,11,1,26,30,19,22,3,27/E:(2,3)(4,5)/rA:30NCOCCCCCCCFCCCCCCCNCCOCCCNOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s21;s19s23;s24;s25;d25;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-KMNKOVWKCDZKPI_on_P41594_WT,High,ChEMBL30,CHEMBL2205370,Cc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,KMNKOVWKCDZKPI,KMNKOVWKCDZKPI-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-10-2-6-12(7-3-10)23-9-21-14-13-16(22-11-4-5-11)19-8-20-17(13)25-15(14)18(23)24/h2-3,6-9,11H,4-5H2,1H3,(H,19,20,22)","""AuxInfo=1/1/N:1,3,25,17,18,4,24,20,7,2,16,5,13,9,10,14,12,22,19,21,8,15,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCNCCSCCCNCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s16;s16s17;d14;s19;s12d20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KMNKOVWKCDZKPI_on_Q13255_WT,High,ChEMBL30,CHEMBL2205370,Cc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,KMNKOVWKCDZKPI,KMNKOVWKCDZKPI-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-10-2-6-12(7-3-10)23-9-21-14-13-16(22-11-4-5-11)19-8-20-17(13)25-15(14)18(23)24/h2-3,6-9,11H,4-5H2,1H3,(H,19,20,22)","""AuxInfo=1/1/N:1,3,25,17,18,4,24,20,7,2,16,5,13,9,10,14,12,22,19,21,8,15,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCNCCSCCCNCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s16;s16s17;d14;s19;s12d20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-KMPVTXHKEOOLDE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950877,O=C(c1cccc(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,KMPVTXHKEOOLDE,KMPVTXHKEOOLDE-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-4-1-3-14(9-15)20(26)24-7-8-25-18(12-24)11-17(23-25)13-27-19-6-2-5-16(22)10-19/h1-6,9-11H,7-8,12-13H2","""AuxInfo=1/0/N:5,23,4,6,22,24,11,12,9,19,25,27,16,3,7,20,15,26,18,2,8,21,14,10,13,1,17/rA:27OCCCCCCFCNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;s20;d20;s22;s18d23;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-KMRHMPLKDOCESH_on_O15399_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_O60391_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_Q05586_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_Q12879_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_Q13224_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMRHMPLKDOCESH_on_Q14957_WT,Low,ChEMBL30,CHEMBL130497,CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2,KMRHMPLKDOCESH,KMRHMPLKDOCESH-UHFFFAOYSA-N,"InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,4,18,6,19,9,10,5,12,3,11,7,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;d12;s13;d14;s15;s12d16;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-KMXMXGWAPJZWOU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57389241;CHEMBL2408570,CC1CC(=O)c2c(C1)nc(Nc1cc(F)c(C#N)cc1)nc2,KMXMXGWAPJZWOU,KMXMXGWAPJZWOU-UHFFFAOYSA-N,"InChI=1S/C16H13FN4O/c1-9-4-14-12(15(22)5-9)8-19-16(21-14)20-11-3-2-10(7-18)13(17)6-11/h2-3,6,8-9H,4-5H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,19,20,8,3,13,17,22,2,16,12,6,14,7,4,10,15,18,21,11,9,5/rA:22CCCCOCCCNCNCCCFCCNCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;s14;d14;s16;t17;s16;s12d19;s10;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.804;  6.800,6.8020000000000005,0.002,0.002,2.0,6.8020000000000005,0.002
-KNCUEWYWBUIFTQ_on_P14867_WT,Low,ChEMBL30,CHEMBL4062225,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21,KNCUEWYWBUIFTQ,KNCUEWYWBUIFTQ-UHFFFAOYSA-N,"InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,4,5,14,8,17,21,26,23,3,7,10,6,18,20,9,19,22,15,16,25,27,24/rA:27CCCCCCCCCCCCCCNNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042580,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-KNCUEWYWBUIFTQ_on_P18507_WT,Low,ChEMBL30,CHEMBL4062225,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21,KNCUEWYWBUIFTQ,KNCUEWYWBUIFTQ-UHFFFAOYSA-N,"InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,4,5,14,8,17,21,26,23,3,7,10,6,18,20,9,19,22,15,16,25,27,24/rA:27CCCCCCCCCCCCCCNNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042579;CHEMBL4042580;CHEMBL4042578;CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.690;  6.310;  6.930;  6.030,6.49,0.34600000000000003,0.19899999999999998,4.0,6.5,0.31
-KNCUEWYWBUIFTQ_on_P28472_WT,Low,ChEMBL30,CHEMBL4062225,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21,KNCUEWYWBUIFTQ,KNCUEWYWBUIFTQ-UHFFFAOYSA-N,"InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,4,5,14,8,17,21,26,23,3,7,10,6,18,20,9,19,22,15,16,25,27,24/rA:27CCCCCCCCCCCCCCNNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042579;CHEMBL4042549;CHEMBL4042578;CHEMBL4042580,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.690;  6.030;  6.930;  6.310,6.49,0.34600000000000003,0.19899999999999998,4.0,6.5,0.31
-KNCUEWYWBUIFTQ_on_P34903_WT,Low,ChEMBL30,CHEMBL4062225,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21,KNCUEWYWBUIFTQ,KNCUEWYWBUIFTQ-UHFFFAOYSA-N,"InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,4,5,14,8,17,21,26,23,3,7,10,6,18,20,9,19,22,15,16,25,27,24/rA:27CCCCCCCCCCCCCCNNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042579;CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.690;  6.030,6.36,0.33,0.33,2.0,6.36,0.33
-KNCUEWYWBUIFTQ_on_P47869_WT,Low,ChEMBL30,CHEMBL4062225,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21,KNCUEWYWBUIFTQ,KNCUEWYWBUIFTQ-UHFFFAOYSA-N,"InChI=1S/C21H13N5O/c1-2-14-6-7-17-15(9-14)20(16-5-3-4-8-23-16)24-10-18-21(25-12-26(17)18)19-11-22-13-27-19/h1,3-9,11-13H,10H2","""AuxInfo=1/0/N:1,2,12,13,11,4,5,14,8,17,21,26,23,3,7,10,6,18,20,9,19,22,15,16,25,27,24/rA:27CCCCCCCCCCCCCCNNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4042578,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-KNMAPMDCUMPTBE_on_Q05586_WT,Low,ChEMBL30,CHEMBL593721,CS(=O)(=O)Nc1ccc(OCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1,KNMAPMDCUMPTBE,KNMAPMDCUMPTBE-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N2O4S/c1-27(24,25)22-14-5-7-15(8-6-14)26-12-18(23)21-10-2-3-13-4-9-16(19)17(20)11-13/h2-9,11,22H,10,12H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,16,17,25,7,27,8,26,24,15,19,11,18,6,9,22,20,12,23,21,14,5,13,3,4,10,2/E:(5,6)(7,8)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;w?16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-KNMAPMDCUMPTBE_on_Q13224_WT,Low,ChEMBL30,CHEMBL593721,CS(=O)(=O)Nc1ccc(OCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1,KNMAPMDCUMPTBE,KNMAPMDCUMPTBE-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N2O4S/c1-27(24,25)22-14-5-7-15(8-6-14)26-12-18(23)21-10-2-3-13-4-9-16(19)17(20)11-13/h2-9,11,22H,10,12H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,16,17,25,7,27,8,26,24,15,19,11,18,6,9,22,20,12,23,21,14,5,13,3,4,10,2/E:(5,6)(7,8)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;w?16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-KNNFYCYEMOKVHQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3982636,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(S(=O)(=O)O)nc4ccccc43)cc2n1,KNNFYCYEMOKVHQ,KNNFYCYEMOKVHQ-UHFFFAOYSA-N,"InChI=1S/C24H17FN4O4S/c25-16-8-6-15(7-9-16)18-12-21(23(26)30)27-20-11-14(5-10-17(18)20)13-29-22-4-2-1-3-19(22)28-24(29)34(31,32)33/h1-12H,13H2,(H2,26,30)(H,31,32,33)","""AuxInfo=1/1/N:28,29,27,30,16,8,13,9,12,15,32,5,18,17,7,10,14,6,26,33,4,31,2,20,11,1,34,25,19,3,22,23,24,21/E:(6,7)(8,9)(31,32,33)/CRV:34.6/rA:34NCOCCCCCCCFCCCCCCCNCSOOONCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;d21;d21;s21;d20;s25;d26;s27;d28;s29;s19s26d30;d17;s14s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-KNRBAMJMEOPLDS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946311,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COCC3=O)cc2n1,KNRBAMJMEOPLDS,KNRBAMJMEOPLDS-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O4/c22-14-4-2-13(3-5-14)16-8-18(21(23)28)24-17-7-12(1-6-15(16)17)9-25-19(26)10-29-11-20(25)27/h1-8H,9-11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,27,5,18,22,24,17,7,10,14,6,28,4,20,25,2,11,1,29,19,21,26,3,23/E:(2,3)(4,5)(10,11)(19,20)(26,27)/rA:29NCOCCCCCCCFCCCCCCCNCOCOCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s23;s19s24;d25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-KNRPZXZZIUPJGN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484958,CC1CN(Cc2ncc(-c3ccc(F)c(F)c3)cc2)C(=O)O1,KNRPZXZZIUPJGN,KNRPZXZZIUPJGN-UHFFFAOYSA-N,"InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-13-4-2-12(7-19-13)11-3-5-14(17)15(18)6-11/h2-7,10H,8-9H2,1H3","""AuxInfo=1/0/N:1,18,11,19,12,17,8,3,5,2,10,9,6,13,15,20,14,16,7,4,21,22/rA:22CCCNCCNCCCCCCFCFCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-KNRRAFJMQKITIH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112325,Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(Cl)c3)n2)ccn1,KNRRAFJMQKITIH,KNRRAFJMQKITIH-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O/c1-13-10-15(6-8-22-13)19-18-7-9-25-14(2)12-24(18)20(23-19)16-4-3-5-17(21)11-16/h3-6,8,10-11,14H,7,9,12H2,1-2H3","""AuxInfo=1/0/N:1,11,17,16,18,23,7,24,8,3,21,12,2,10,4,15,19,6,5,14,20,25,22,13,9/rA:25CCCCCCCCOCCCNCCCCCCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s5d14;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-KNSHLWJBSDBBRH_on_P41594_WT,Low,ChEMBL30,CHEMBL43412;CHEMBL43412;CHEMBL153572;CHEMBL43412,NC(C(=O)O)C12CC(C(=O)O)(C1)C2,KNSHLWJBSDBBRH,KNSHLWJBSDBBRH-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,12,13,2,3,9,6,8,1,4,5,10,11/E:(1,2,3)(10,11)(12,13)/rA:13NCCOOCCCCOOCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s6s8;s6s8;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885337;CHEMBL711712;CHEMBL709915;CHEMBL709918,PMID:8709120,1996.0,PMID:9873392;PMID:10893301;PMID:10639281;PMID:8709120,1998;2000;1999;1996,0,1;0;1;1,0,0;1;0;0,0,,=,  3.987;  3.987;  3.987;  3.990,3.988,0.001,0.001,4.0,3.987,0.0
-KNSHLWJBSDBBRH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL43412;CHEMBL43412;CHEMBL153572;CHEMBL43412,NC(C(=O)O)C12CC(C(=O)O)(C1)C2,KNSHLWJBSDBBRH,KNSHLWJBSDBBRH-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,12,13,2,3,9,6,8,1,4,5,10,11/E:(1,2,3)(10,11)(12,13)/rA:13NCCOOCCCCOOCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s6s8;s6s8;/rC:;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2208702;CHEMBL822314;CHEMBL717338;CHEMBL719076,PMID:8709120,1996.0,PMID:21413808;PMID:9873392;PMID:10639281;PMID:10893301,2011;1998;1999;2000,1;1;1;0,0,0,0;0;0;1,0,,=,  4.600;  4.500;  4.600;  4.600,4.575,0.043,0.025,4.0,4.6,0.0
-KNVWWTNESKSOBA_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,45101485;CHEMBL578358,NC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,KNVWWTNESKSOBA,KNVWWTNESKSOBA-UHFFFAOYSA-N,"InChI=1S/C14H16Cl2N2O2/c15-8-5-9(16)7-10(6-8)18-14(20)12-4-2-1-3-11(12)13(17)19/h5-7,11-12H,1-4H2,(H2,17,19)(H,18,20)","""AuxInfo=1/1/N:6,7,5,8,17,14,20,15,18,13,4,9,2,10,16,19,1,12,3,11/E:(6,7)(8,9)(15,16)/rA:20NCOCCCCCCCONCCCClCCClC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669;CHEMBL1044679,PMID:19640716,2009.0,PubChemAID:447669;PMID:19640716,2010;2009,0,0;1,0,0,1;0,,=,  6.022;  6.020,6.021,0.001,0.001,2.0,6.021,0.001
-KNXDJTHNHDCPRF_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594116;CHEMBL3594117,CC1CCC2C1CCC1C2CCC2CC(OS(=O)(=O)O)CCC21C.c1ccncc1,KNXDJTHNHDCPRF,KNXDJTHNHDCPRF-UHFFFAOYSA-N,"""InChI=1S/C19H32O4S.C5H5N/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(23-24(20,21)22)9-10-19(13,18)2;1-2-4-6-5-3-1/h12-18H,3-11H2,1-2H3,(H,20,21,22);1-5H""","""AuxInfo=1/1/N:1,24,3,12,4,11,7,8,21,22,14,2,13,15,6,5,10,9,23,18,19,20,16,17;25,26,30,27,29,28/E:(20,21,22);(2,3)(4,5)/CRV:24.6;/rA:30CCCCCCCCCCCCCCCOSOOOCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s14;s15;s16;d17;d17;s17;s15;s21;s9s13s22;s23;;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.050;  6.160,6.105,0.055,0.055,2.0,6.105,0.055
-KNXDJTHNHDCPRF_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594116;CHEMBL3594117,CC1CCC2C1CCC1C2CCC2CC(OS(=O)(=O)O)CCC21C.c1ccncc1,KNXDJTHNHDCPRF,KNXDJTHNHDCPRF-UHFFFAOYSA-N,"""InChI=1S/C19H32O4S.C5H5N/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(23-24(20,21)22)9-10-19(13,18)2;1-2-4-6-5-3-1/h12-18H,3-11H2,1-2H3,(H,20,21,22);1-5H""","""AuxInfo=1/1/N:1,24,3,12,4,11,7,8,21,22,14,2,13,15,6,5,10,9,23,18,19,20,16,17;25,26,30,27,29,28/E:(20,21,22);(2,3)(4,5)/CRV:24.6;/rA:30CCCCCCCCCCCCCCCOSOOOCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s14;s15;s16;d17;d17;s17;s15;s21;s9s13s22;s23;;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.050;  6.160,6.105,0.055,0.055,2.0,6.105,0.055
-KNYQXFHNRYTONS_on_P14867_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618;CHEMBL3619098;CHEMBL3619100,PMID:21699169,2011.0,PMID:21699169;PMID:26410663;PMID:26410663,2011;2015;2015,0,1,0,0,0,,=,  5.420;  5.280;  4.170,4.957,0.5589999999999999,0.395,3.0,5.28,0.14
-KNYQXFHNRYTONS_on_P18507_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  5.280;  4.170,4.725,0.555,0.555,2.0,4.725,0.555
-KNYQXFHNRYTONS_on_P31644_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1816887,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-KNYQXFHNRYTONS_on_P34903_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1816886,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-KNYQXFHNRYTONS_on_P47869_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1816623,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-KNYQXFHNRYTONS_on_P47870_WT,Low,ChEMBL30,CHEMBL1814312,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1,KNYQXFHNRYTONS,KNYQXFHNRYTONS-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)","""AuxInfo=1/1/N:1,12,23,15,2,11,3,10,17,16,5,25,8,22,4,7,9,6,20,13,18,21,24,19,14/rA:25CCCCCCCCCCCCCOCCCCOCNCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s20;s21;s22;d22;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816623;CHEMBL1816886;CHEMBL1816618;CHEMBL3619100;CHEMBL3619098;CHEMBL1816887,PMID:21699169,2011.0,PMID:21699169;PMID:21699169;PMID:21699169;PMID:26410663;PMID:26410663;PMID:21699169,2011;2011;2011;2015;2015;2011,0,1,0,0,0,,=,  5.100;  5.050;  5.420;  4.170;  5.280;  5.640,5.11,0.46399999999999997,0.20800000000000002,6.0,5.19,0.185
-KNZNHUNBVIKNJP_on_P14867_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-KNZNHUNBVIKNJP_on_P18507_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058329;CHEMBL3058328;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.670;  7.400;  6.510,6.86,0.387,0.27399999999999997,3.0,6.67,0.16
-KNZNHUNBVIKNJP_on_P28472_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058329;CHEMBL3058328;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.670;  7.400;  6.510,6.86,0.387,0.27399999999999997,3.0,6.67,0.16
-KNZNHUNBVIKNJP_on_P31644_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-KNZNHUNBVIKNJP_on_P34903_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-KNZNHUNBVIKNJP_on_P47869_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-KNZNHUNBVIKNJP_on_P48169_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-KNZNHUNBVIKNJP_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261920,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,KNZNHUNBVIKNJP,KNZNHUNBVIKNJP-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h1,8-9,11-12,16H,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-KOBHXKVGKGEKFN_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,68107697;CHEMBL2179325,FC(F)(F)c1c(N2CCC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12,KOBHXKVGKGEKFN,KOBHXKVGKGEKFN-UHFFFAOYSA-N,"InChI=1S/C21H21F3N4/c22-21(23,24)19-17(27-10-8-16(13-27)15-4-2-1-3-5-15)9-11-28-18(12-14-6-7-14)25-26-20(19)28/h1-5,9,11,14,16H,6-8,10,12-13H2","""AuxInfo=1/0/N:14,13,15,12,16,24,25,9,18,8,19,22,17,23,11,10,6,21,5,28,2,1,3,4,26,27,7,20/E:(2,3)(4,5)(6,7)(22,23,24)/rA:28FCFFCCNCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s7s10;s6;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s5s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482,PMID:23072213,2012.0,PubChemAID:711294;PMID:23072213,2013;2012,0,0;1,0,0,1;0,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-KOBXUVVTLBQOHS_on_P41594_WT,High,ChEMBL30,CHEMBL4061450,COc1cccc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)c1,KOBXUVVTLBQOHS,KOBXUVVTLBQOHS-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3/c1-25-14-4-2-3-12(9-14)19(24)23-8-7-17-16(11-23)22-18(26-17)15-6-5-13(20)10-21-15/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,5,6,4,20,19,12,11,26,23,15,7,21,3,18,14,13,17,8,22,24,16,10,9,2,25/rA:26COCCCCCCONCCCCCNCCCCCFCNOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s14;d16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-KODGSDNKOZRIGF_on_O15399_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_O60391_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_P41594_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_Q05586_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_Q12879_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_Q13224_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KODGSDNKOZRIGF_on_Q14957_WT,Low,ChEMBL30,CHEMBL4164391,Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12,KODGSDNKOZRIGF,KODGSDNKOZRIGF-UHFFFAOYSA-N,"InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3","""AuxInfo=1/0/N:1,6,13,7,12,19,2,5,8,20,16,14,3,17,4,9,15,10,11,18/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:20CCNNCCCCN+OO-CCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s9;s8;s5d12;s4;d14;s14;d16;s17;s18;s2s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KOEUPOPGGUYZAB_on_Q14833_WT,High,ExCAPE-DB;ExCAPE-DB;ChEMBL30,46869946;56649126;CHEMBL1921960,O=C(Nc1ccc(N2C(=O)C3C4CCC(O4)C3C2=O)c(Cl)c1)c1ccccn1,KOEUPOPGGUYZAB,KOEUPOPGGUYZAB-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O4/c21-11-9-10(23-18(25)12-3-1-2-8-22-12)4-5-13(11)24-19(26)16-14-6-7-15(28-14)17(16)20(24)27/h1-5,8-9,14-17H,6-7H2,(H,23,25)","""AuxInfo=1/1/N:25,26,24,5,6,13,14,27,22,4,20,23,7,12,15,11,17,2,9,18,21,28,3,8,1,10,19,16/E:(6,7)(14,15)(16,17)(19,20)(26,27)/rA:28OCNCCCCNCOCCCCCOCCOCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s12s15;s11s15;s8s17;d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197;PubChemAID:631408;CHEMBL1924926,PubChemAID:2197,2009.0,PubChemAID:2197;PubChemAID:631408;PMID:21966889,2009;2012;2011,0,0;0;1,0,0,1;1;0,,=,  5.843;  5.886;  5.890,5.872999999999999,0.021,0.015,3.0,5.886,0.004
-KOMBGWPXIHBMLL_on_O00591_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_O14764_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_P14867_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P18505_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.600;  5.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P18507_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_P28472_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P31644_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P34903_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.600;  5.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P47869_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P47870_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P48169_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_P78334_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMBGWPXIHBMLL_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.600;  7.600,6.6,1.0,1.0,2.0,6.6,1.0
-KOMBGWPXIHBMLL_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427548,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1,KOMBGWPXIHBMLL,KOMBGWPXIHBMLL-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3","""AuxInfo=1/0/N:1,15,26,25,8,9,30,29,5,12,4,13,27,32,22,19,7,6,11,10,31,16,23,24,17,2,14,28,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-KOMJBSYYTWBJBF_on_P31644_WT,High,ChEMBL30,CHEMBL3676537,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccccc2F)no1,KOMJBSYYTWBJBF,KOMJBSYYTWBJBF-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O4/c1-14-18(21(26-30-14)17-4-2-3-5-19(17)23)13-29-20-7-6-15(12-24-20)22(27)25-16-8-10-28-11-9-16/h2-7,12,16H,8-11,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,25,23,26,8,7,14,18,15,17,19,4,2,9,13,22,3,27,6,21,10,28,20,12,29,11,16,5,30/E:(8,9)(10,11)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;s27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-KONDYWKRIXOJDF_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL188286;11950553,CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc2c1cnn2CC(C)(C)C,KONDYWKRIXOJDF,KONDYWKRIXOJDF-UHFFFAOYSA-N,"InChI=1S/C26H34N6O2/c1-5-8-21-22-17-27-32(18-26(2,3)4)23(22)13-14-24(21)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,17H,5-8,15-16,18H2,1-4H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,32,33,34,2,9,8,3,14,21,13,22,24,23,10,7,27,30,15,12,4,26,25,5,16,31,28,17,20,18,19,29,11,6/E:(2,3,4)(9,10)(11,12)(28,29)(30,31)/rA:34CCCCCOCCCCOCCCCCNNNNCCCCCCCNNCCCCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s16d19;s15;s12d21;s5;d23;s24;s4d25;s26;d27;s25s28;s29;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  6.010;  6.007,6.007999999999999,0.002,0.002,2.0,6.007999999999999,0.002
-KONLLEVIWMISRR_on_P18507_WT,Low,ChEMBL30,CHEMBL566378,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cc(F)cc3)-c2n1,KONLLEVIWMISRR,KONLLEVIWMISRR-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-3-5-17-22-10-12-8-16-19(20(26)27-4-2)23-11-25(16)15-7-6-13(21)9-14(15)18(12)24-17/h6-7,9-11H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,3,24,25,8,21,6,17,7,22,20,19,9,4,26,10,11,23,5,16,27,18,12,13/rA:27CCCCNCCCCCCOOCCNCNCCCCFCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s22;s19d24;s7s20;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-KONLLEVIWMISRR_on_P28472_WT,Low,ChEMBL30,CHEMBL566378,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cc(F)cc3)-c2n1,KONLLEVIWMISRR,KONLLEVIWMISRR-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-3-5-17-22-10-12-8-16-19(20(26)27-4-2)23-11-25(16)15-7-6-13(21)9-14(15)18(12)24-17/h6-7,9-11H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,3,24,25,8,21,6,17,7,22,20,19,9,4,26,10,11,23,5,16,27,18,12,13/rA:27CCCCNCCCCCCOOCCNCNCCCCFCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s22;s19d24;s7s20;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-KONLLEVIWMISRR_on_P31644_WT,Low,ChEMBL30,CHEMBL566378,CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cc(F)cc3)-c2n1,KONLLEVIWMISRR,KONLLEVIWMISRR-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-3-5-17-22-10-12-8-16-19(20(26)27-4-2)23-11-25(16)15-7-6-13(21)9-14(15)18(12)24-17/h6-7,9-11H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,3,24,25,8,21,6,17,7,22,20,19,9,4,26,10,11,23,5,16,27,18,12,13/rA:27CCCCNCCCCCCOOCCNCNCCCCFCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s11;s13;s14;s10;d16;s9s17;s18;d19;s20;d21;s22;s22;s19d24;s7s20;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-KOQYBHVHTCKDIZ_on_Q13224_WT,High,ChEMBL30,CHEMBL4111330,O=C1C(N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1,KOQYBHVHTCKDIZ,KOQYBHVHTCKDIZ-UHFFFAOYSA-N,"InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2","""AuxInfo=1/0/N:22,27,9,14,23,26,10,13,6,15,17,5,16,18,20,21,8,7,24,11,3,2,25,4,19,12,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)/rA:27OCCNCCCCCCCOCCCCCCNCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s11;s8d13;s7;s4s15;s3;s17;s2s18;s19;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4149864,PMID:29795762,2018.0,PMID:29795762,2018,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-KORVUNQHKXCGEN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54586460;CHEMBL1779882;CHEMBL1779882,Cc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCCC2)CC3)ccc1,KORVUNQHKXCGEN,KORVUNQHKXCGEN-UHFFFAOYSA-N,"InChI=1S/C23H24N2O/c1-17-6-5-7-18(16-17)10-11-19-12-13-21-22(24-19)14-15-25(23(21)26)20-8-3-2-4-9-20/h5-7,12-13,16,20H,2-4,8-9,14-15H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,26,24,17,21,5,6,12,11,23,22,3,2,4,7,16,10,9,13,8,15,14/E:(3,4)(8,9)/rA:26CCCCCCCNCCCCCONCCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s16;s17;s18;s19;s16s20;s15;s9s22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598492;CHEMBL1780498;CHEMBL1780496,PMID:21531137,2011.0,PubChemAID:598492;PMID:21531137;PMID:21531137,2012;2011;2011,0,0;0;1,0,0;1;0,1;0;0,,=,  7.444;  5.490;  7.440,6.791,0.92,0.6509999999999999,3.0,7.44,0.004
-KOTFZRCPKVQWPP_on_O00591_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_O14764_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P14867_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P18505_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P18507_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P28472_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P31644_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P34903_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P47869_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P47870_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P48169_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_P78334_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_Q16445_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOTFZRCPKVQWPP_on_Q99928_WT,Low,ChEMBL30,CHEMBL145980,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1,KOTFZRCPKVQWPP,KOTFZRCPKVQWPP-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,21,20,22,19,7,6,24,9,16,8,23,15,18,4,3,13,11,17,10,5,14,12,2/rA:24COCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-KOUQJQLSGFWREM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3955855,Clc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,KOUQJQLSGFWREM,KOUQJQLSGFWREM-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2N4/c13-8-4-3-7(6-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,2,17,13,8,7,1,18,9,6,14,15/rA:18ClCCCCNCCNCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-KOURMMJUNZQWKS_on_P31644_WT,High,ChEMBL30,CHEMBL3681549,Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)cc1,KOURMMJUNZQWKS,KOURMMJUNZQWKS-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-13(2)23-21(25)17-9-10-19(22-11-17)26-12-18-15(4)27-24-20(18)16-7-5-14(3)6-8-16/h5-11,13H,12H2,1-4H3,(H,23,25)","""AuxInfo=1/1/N:22,23,1,10,3,27,4,26,16,15,24,12,21,2,9,5,17,11,14,6,18,25,20,7,19,13,8/E:(1,2)(5,6)(7,8)/rA:27CCCCCCNOCCCCOCCCCCONCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6d9;s11;s12;s13;d14;s15;d16;s17;d18;s18;s20;s21;s21;s17;s14d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KOVRZNUMIKACTB_on_O00591_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_O14764_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_P14867_WT,Medium,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KOVRZNUMIKACTB_on_P18505_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_P18507_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL1273619;CHEMBL1273620;CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL822162;CHEMBL685337;CHEMBL681248;CHEMBL682251;CHEMBL683045;CHEMBL824294;CHEMBL681480;CHEMBL678329;CHEMBL823761,PMID:9435905,1997.0,PMID:9435905;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:9651158,1997;2010;2010;2010;2010;2010;1998;1998;2000;2000;2000;1998;2000;2000;1998,1;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,0,0;1;1;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  8.300;  7.570;  5.570;  8.920;  8.310;  8.240;  8.920;  7.570;  8.310;  8.240;  5.570;  8.310;  7.570;  8.920;  8.240,7.904,1.01,0.27,15.0,8.24,0.67
-KOVRZNUMIKACTB_on_P28472_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273617;CHEMBL1273620;CHEMBL1273616;CHEMBL683045;CHEMBL681480;CHEMBL650075;CHEMBL822162;CHEMBL824294;CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL823761;CHEMBL685337,PMID:9435905,1997.0,PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:10633039;PMID:10633039;PMID:9435905;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158,2010;2010;2010;2010;2010;2000;2000;1997;1998;1998;2000;2000;2000;1998;1998,0;0;0;0;0;0;0;1;0;0;0;0;0;0;0,0,0,1;1;1;1;1;1;1;0;1;1;1;1;1;1;1,0,,=,  7.570;  8.920;  8.240;  5.570;  8.310;  5.570;  7.570;  8.300;  8.920;  8.310;  8.310;  8.920;  8.240;  8.240;  7.570,7.904,1.01,0.27,15.0,8.24,0.67
-KOVRZNUMIKACTB_on_P31644_WT,Medium,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-KOVRZNUMIKACTB_on_P34903_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617;CHEMBL823761;CHEMBL682251;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9651158;PMID:10633039;PMID:9435905,2010;1998;2000;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  8.240;  8.240;  8.240;  8.300,8.255,0.026000000000000002,0.015,4.0,8.24,0.0
-KOVRZNUMIKACTB_on_P47869_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294;CHEMBL1273616;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:20888240;PMID:9435905,2000;1998;2010;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  8.310;  8.310;  8.310;  8.300,8.308,0.004,0.003,4.0,8.31,0.0
-KOVRZNUMIKACTB_on_P47870_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_P48169_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_P78334_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOVRZNUMIKACTB_on_Q16445_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL650075;CHEMBL1273620,PMID:9435905,1997.0,PMID:10633039;PMID:9435905;PMID:20888240,2000;1997;2010,0;1;0,0,0,1;0;1,0,,=,  5.570;  8.300;  5.570,6.48,1.287,0.91,3.0,5.57,0.0
-KOVRZNUMIKACTB_on_Q99928_WT,Low,ChEMBL30,CHEMBL11709,CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1,KOVRZNUMIKACTB,KOVRZNUMIKACTB-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,11,6,9,4,7,10,5,3/rA:18CCOCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KOWPZRJACNXZAU_on_P41594_WT,High,ChEMBL30,CHEMBL3633961,CC(=O)N1CCCn2nc(COc3c(F)cccc3)cc12,KOWPZRJACNXZAU,KOWPZRJACNXZAU-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3","""AuxInfo=1/0/N:1,17,18,6,16,19,5,7,20,11,2,10,14,13,21,15,9,4,8,3,12/rA:21CCONCCCNNCCOCCFCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s14;d16;s17;s13d18;s10;s4s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.620;  5.630,5.625,0.005,0.005,2.0,5.625,0.005
-KPBUTYWLSJNOCV_on_O15303_WT,Low,ChEMBL30,CHEMBL324686,Cc1c(CCCC(N)C(=O)O)c(O)no1,KPBUTYWLSJNOCV,KPBUTYWLSJNOCV-UHFFFAOYSA-N,"InChI=1S/C9H14N2O4/c1-5-6(8(12)11-15-5)3-2-4-7(10)9(13)14/h7H,2-4,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,5,4,6,2,3,7,12,9,8,14,13,10,11,15/E:(13,14)/rA:15CCCCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s6;s7;s7;d9;s9;s3;s12;d12;s2s14;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL712215,PMID:8759641,1996.0,PMID:8759641,1996,0,1,0,0,0,,=,  3.387,3.387,0.0,0.0,1.0,3.387,0.0
-KPDLZRNKTBXGCJ_on_P41594_WT,Low,ChEMBL30,CHEMBL424681,COC(=O)c1cc(NC(=O)NC2=NC(=O)CN2C)ccc1,KPDLZRNKTBXGCJ,KPDLZRNKTBXGCJ-UHFFFAOYSA-N,"InChI=1S/C13H14N4O4/c1-17-7-10(18)15-12(17)16-13(20)14-9-5-3-4-8(6-9)11(19)21-2/h3-6H,7H2,1-2H3,(H2,14,15,16,18,20)","""AuxInfo=1/1/N:18,1,20,21,19,6,16,5,7,14,3,12,9,8,13,11,17,15,4,10,2/rA:21COCOCCCNCONCNCOCNCCCC/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s9;s11;w?12;s13;d14;s14;s12s16;s17;d7;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KPFDJVOMBUAQPT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3897174,Fc1cccc(Nc2c3ncccc3n[nH]2)c1,KPFDJVOMBUAQPT,KPFDJVOMBUAQPT-UHFFFAOYSA-N,"InChI=1S/C12H9FN4/c13-8-3-1-4-9(7-8)15-12-11-10(16-17-12)5-2-6-14-11/h1-7H,(H2,15,16,17)","""AuxInfo=1/1/N:4,12,3,5,13,11,17,2,6,14,9,8,1,10,7,15,16/rA:17FCCCCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-KPIVDNYJNOPGBE_on_O00591_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_O14764_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P14867_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P18505_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P18507_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P28472_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P31644_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P34903_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P47869_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P47870_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P48169_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_P78334_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPIVDNYJNOPGBE_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322868,Nc1c(C(=O)O)cccn1,KPIVDNYJNOPGBE,KPIVDNYJNOPGBE-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,7,9,3,2,4,1,10,5,6/E:(9,10)/rA:10NCCCOOCCCN/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KPJQYJFARZZVCH_on_Q05586_WT,High,ChEMBL30,CHEMBL401253,CCc1c(Cl)cc2nc(O)c(O)nc2c1N(CCO)S(C)(=O)=O,KPJQYJFARZZVCH,KPJQYJFARZZVCH-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3O5S/c1-3-7-8(14)6-9-10(16-13(20)12(19)15-9)11(7)17(4-5-18)23(2,21)22/h6,18H,3-5H2,1-2H3,(H,15,19)(H,16,20)","""AuxInfo=1/1/N:1,21,2,17,18,6,3,4,7,14,15,9,11,5,8,13,16,19,10,12,22,23,20/E:(21,22)/CRV:23.6/rA:23CCCCClCCNCOCONCCNCCOSCOO/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;s16;s17;s18;s16;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-KPKREMSWWAZPLF_on_Q14833_WT,High,ChEMBL30,CHEMBL4072639,CN1CCN(CCCNc2ccc3oc(-c4ncc5ccccc5c4)cc(=NO)c3c2)CC1,KPKREMSWWAZPLF,KPKREMSWWAZPLF-UHFFFAOYSA-N,"InChI=1S/C26H29N5O2/c1-30-11-13-31(14-12-30)10-4-9-27-21-7-8-25-22(16-21)23(29-32)17-26(33-25)24-15-19-5-2-3-6-20(19)18-28-24/h2-3,5-8,15-18,27,32H,4,9-14H2,1H3","""AuxInfo=1/0/N:1,22,21,7,23,20,11,12,8,6,3,33,4,32,25,31,26,18,24,19,10,30,27,16,13,15,9,17,28,2,5,29,14/E:(11,12)(13,14)/rA:33CNCCNCCCNCCCCOCCNCCCCCCCCCCNOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;d22;s19s23;s16d24;d15;s26;w?27;s28;s13s27;s10d30;s5;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-KPKSEPNXKJWVTO_on_Q14416_WT,High,ChEMBL30,CHEMBL3955458,NC1(C(=O)O)C(OCc2ccccc2)C(O)C2C(C(=O)O)C21,KPKSEPNXKJWVTO,KPKSEPNXKJWVTO-UHFFFAOYSA-N,"InChI=1S/C15H17NO6/c16-15(14(20)21)10-8(9(10)13(18)19)11(17)12(15)22-6-7-4-2-1-3-5-7/h1-5,8-12,17H,6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:12,11,13,10,14,8,9,17,18,22,15,6,19,3,2,1,16,20,21,4,5,7/E:(2,3)(4,5)(18,19)(20,21)/rA:22NCCOOCOCCCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s15;s15;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-KPKSEPNXKJWVTO_on_Q14832_WT,High,ChEMBL30,CHEMBL3955458,NC1(C(=O)O)C(OCc2ccccc2)C(O)C2C(C(=O)O)C21,KPKSEPNXKJWVTO,KPKSEPNXKJWVTO-UHFFFAOYSA-N,"InChI=1S/C15H17NO6/c16-15(14(20)21)10-8(9(10)13(18)19)11(17)12(15)22-6-7-4-2-1-3-5-7/h1-5,8-12,17H,6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:12,11,13,10,14,8,9,17,18,22,15,6,19,3,2,1,16,20,21,4,5,7/E:(2,3)(4,5)(18,19)(20,21)/rA:22NCCOOCOCCCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s15;s15;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-KPLSTJVTISYPSF_on_O15399_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_O60391_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPLSTJVTISYPSF_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365644,N=C(N)NN=Cc1ccc[nH]1,KPLSTJVTISYPSF,KPLSTJVTISYPSF-UHFFFAOYSA-N,"InChI=1S/C6H9N5/c7-6(8)11-10-4-5-2-1-3-9-5/h1-4,9H,(H4,7,8,11)","""AuxInfo=1/1/N:9,8,10,6,7,2,1,3,11,5,4/E:(7,8)/rA:11NCNNNCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.020,4.02,0.0,0.0,1.0,4.02,0.0
-KPPSLUOLIRJBMU_on_Q14416_WT,High,ChEMBL30,CHEMBL123842,Nc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,KPPSLUOLIRJBMU,KPPSLUOLIRJBMU-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-9-3-1-2-8(6-9)4-5-14(16,13(19)20)11-7-10(11)12(17)18/h1-3,6,10-11H,4-5,7,15-16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:4,5,3,7,8,20,15,6,2,16,14,17,11,9,1,10,18,19,12,13/E:(17,18)(19,20)/rA:20NCCCCCCCCNCOOCCCCOOC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s14s15;s16;d17;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KPPSLUOLIRJBMU_on_Q14832_WT,High,ChEMBL30,CHEMBL123842,Nc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1,KPPSLUOLIRJBMU,KPPSLUOLIRJBMU-UHFFFAOYSA-N,"InChI=1S/C14H18N2O4/c15-9-3-1-2-8(6-9)4-5-14(16,13(19)20)11-7-10(11)12(17)18/h1-3,6,10-11H,4-5,7,15-16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:4,5,3,7,8,20,15,6,2,16,14,17,11,9,1,10,18,19,12,13/E:(17,18)(19,20)/rA:20NCCCCCCCCNCOOCCCCOOC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s14s15;s16;d17;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-KPQFFGITPXRODU_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11474450;CHEMBL2112965,CCc1c(-c2cscc2)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,KPQFFGITPXRODU,KPQFFGITPXRODU-UHFFFAOYSA-N,"InChI=1S/C23H25NO2S/c1-3-15-12-19-13-17(23(25)16-4-7-20(26-2)8-5-16)6-9-21(19)24-22(15)18-10-11-27-14-18/h6,9-14,16,20H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,18,24,13,19,23,12,9,8,27,25,6,3,17,14,5,26,20,11,4,15,10,16,21,7/E:(4,5)(7,8)/rA:27CCCCCCSCCNCCCCCOCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s5d8;s4;d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s20;s17s23;d14;s11s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  6.719;  6.720,6.72,0.0,0.0,2.0,6.72,0.0
-KPQINVQRCIJTEX_on_P41594_WT,High,ChEMBL30,CHEMBL1682800,Oc1c2ccc(C#Cc3ccccc3)cc2ccn1,KPQINVQRCIJTEX,KPQINVQRCIJTEX-UHFFFAOYSA-N,"InChI=1S/C17H11NO/c19-17-16-9-8-14(12-15(16)10-11-18-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,(H,18,19)","""AuxInfo=1/1/N:12,11,13,10,14,8,7,5,4,17,18,15,9,6,16,3,2,19,1/E:(2,3)(4,5)/rA:19OCCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;d6;s3s15;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.740;  6.740,6.74,0.0,0.0,2.0,6.74,0.0
-KPQLYWIRBOHKMO_on_P41594_WT,High,ChEMBL30,CHEMBL390802,Cc1nc(C#Cc2cc(Cl)ccc2)nnc1,KPQLYWIRBOHKMO,KPQLYWIRBOHKMO-UHFFFAOYSA-N,"InChI=1S/C12H8ClN3/c1-9-8-14-16-12(15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,12,13,11,6,5,8,16,2,7,9,4,10,15,3,14/rA:16CCNCCCCCCClCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-KPRVINNKPRDQLU_on_P41594_WT,Low,ChEMBL30,CHEMBL3655603,Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1,KPRVINNKPRDQLU,KPRVINNKPRDQLU-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5O2/c1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20/h2-9H,1H3,(H,24,25,26)","""AuxInfo=1/1/N:1,4,3,5,17,18,25,11,13,2,16,6,19,10,14,7,20,21,22,23,12,24,27,26,9,8,15/E:(18,19,20)/rA:27CCCCCCCONCCNCCOCCCCCFFFNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KPRWMFBUBORXIR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16736021;CHEMBL226833,Cc1ccc(C)c(C#Cc2nc(C)cnn2)c1,KPRWMFBUBORXIR,KPRWMFBUBORXIR-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c1-10-4-5-11(2)13(8-10)6-7-14-16-12(3)9-15-17-14/h4-5,8-9H,1-3H3","""AuxInfo=1/0/N:1,6,13,3,4,8,9,17,14,2,5,12,7,10,15,11,16/rA:17CCCCCCCCCCNCCCNNC/rB:s1;d2;s3;d4;s5;s5;s7;t8;s9;d10;s11;s12;d12;s14;s10d15;s2d7;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521;CHEMBL888663,PMID:17569516,2007.0,PubChemAID:291521;PMID:17569516,2010;2007,0;1,0,0,0,1;0,,=,  5.724;  5.720,5.722,0.002,0.002,2.0,5.722,0.002
-KPYBNOBDOQKGPF_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155540;CHEMBL1095970,CCCCCCC1CN(c2ccc(F)cc2)C(=O)O1,KPYBNOBDOQKGPF,KPYBNOBDOQKGPF-UHFFFAOYSA-N,"InChI=1S/C15H20FNO2/c1-2-3-4-5-6-14-11-17(15(18)19-14)13-9-7-12(16)8-10-13/h7-10,14H,2-6,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,12,15,11,16,8,13,10,7,17,14,9,18,19/E:(7,8)(9,10)/rA:19CCCCCCCCNCCCCFCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.102;  6.100,6.101,0.001,0.001,2.0,6.101,0.001
-KPZFXWLIJHOOKE_on_P41594_WT,High,ChEMBL30,CHEMBL387687,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CC3)cc2)c1=O,KPZFXWLIJHOOKE,KPZFXWLIJHOOKE-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,3,21,22,18,23,17,24,9,8,14,20,19,16,4,5,12,11,6,25,7,13,2,15,26,10/E:(1,2)(3,4)(5,6)(7,8)/rA:26CNCCCCNCCSCCNCNCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20s21;s19;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-KPZFXWLIJHOOKE_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL387687;11588590,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CC3)cc2)c1=O,KPZFXWLIJHOOKE,KPZFXWLIJHOOKE-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,3,21,22,18,23,17,24,9,8,14,20,19,16,4,5,12,11,6,25,7,13,2,15,26,10/E:(1,2)(3,4)(5,6)(7,8)/rA:26CNCCCCNCCSCCNCNCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s20s21;s19;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  7.060;  7.060,7.06,0.0,0.0,2.0,7.06,0.0
-KPZHJPGSVMRFLO_on_Q14416_WT,High,ChEMBL30,CHEMBL3133883,O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(-c3cccc(I)c3)cc2)N1,KPZHJPGSVMRFLO,KPZHJPGSVMRFLO-UHFFFAOYSA-N,"InChI=1S/C24H17IN4O/c25-19-5-1-3-16(11-19)17-7-8-21-23(13-17)28-24(30)14-22(27-21)18-4-2-6-20(12-18)29-10-9-26-15-29/h1-13,15H,14H2,(H,28,30)","""AuxInfo=1/1/N:23,7,22,6,24,8,28,29,12,11,27,15,19,3,14,21,20,5,25,9,17,4,18,2,26,13,16,30,10,1/rA:30OCCCCCCCCNCCNCCNCCCCCCCCCICCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s5d9;w?4;s16;d17;s18;d19;s20;d21;s22;d23;s24;s25;s21d25;s20;s17d28;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3137095,DOI:10.1039/C3MD00110E,2013.0,DOI:10.1039/C3MD00110E,2013,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-KQEMZKYLAXZLML_on_Q14416_WT,Medium,ChEMBL30,CHEMBL508821,CC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1,KQEMZKYLAXZLML,KQEMZKYLAXZLML-UHFFFAOYSA-N,"InChI=1S/C19H27NO3/c1-15(17-6-3-2-4-7-17)23-18-10-8-16(9-11-18)14-20-12-5-13-22-19(20)21/h8-11,15,17H,2-7,12-14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,11,19,23,6,16,5,17,10,12,8,2,7,18,4,14,9,15,13,3/E:(3,4)(6,7)(8,9)(10,11)/rA:23CCOCCCCCNCCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s9s13;d14;s7;s4d16;s2;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-KQIRWQXAQKJGBF_on_P41594_WT,Low,ChEMBL30,CHEMBL202130,Cc1nc(C#Cc2cnccc2)co1,KQIRWQXAQKJGBF,KQIRWQXAQKJGBF-UHFFFAOYSA-N,"InChI=1S/C11H8N2O/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3","""AuxInfo=1/0/N:1,11,12,6,5,10,8,13,2,7,4,9,3,14/rA:14CCNCCCCCNCCCCO/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KQKPVCGJJJFHIW_on_P41594_WT,High,ChEMBL30,CHEMBL2403699,O=C(C1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,KQKPVCGJJJFHIW,KQKPVCGJJJFHIW-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2S/c23-20(16-9-12-24-13-10-16)22-11-8-17-18(14-22)25-19(21-17)7-6-15-4-2-1-3-5-15/h1-5,16H,8-14H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,4,8,10,5,7,14,19,3,12,13,16,2,25,9,1,6,15/E:(2,3)(4,5)(9,10)(12,13)/rA:25OCCCCOCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-KQTMWRZAVOUNCI_on_O00591_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.570;  6.990,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_O14764_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.570;  6.990,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_P14867_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0;0,1;1;0;0;1;1,0,0,0,,=,  5.880;  5.740;  6.990;  7.570;  5.740;  5.560,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P18505_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.570;  6.990;  5.880;  5.740;  5.740;  5.560,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P18507_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.990;  7.570,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_P28472_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0;0;0;1,0;1;1;1;1;0,0,0,0,,=,  6.990;  5.560;  5.740;  5.740;  5.880;  7.570,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P31644_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533;CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430053;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  5.740;  5.560;  5.880;  5.740;  6.990;  7.570,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P34903_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  6.990;  7.570;  5.880;  5.560;  5.740;  5.740,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P47869_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  6.990;  7.570;  5.880;  5.740;  5.740;  5.560,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P47870_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  5.740;  5.880;  5.560;  5.740;  7.570;  6.990,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P48169_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524;CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0;0,1;1;0;0;1;1,0,0,0,,=,  5.740;  5.880;  7.570;  6.990;  5.560;  5.740,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_P78334_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.990;  7.570,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.570;  6.990,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.570;  6.990,7.28,0.29,0.29,2.0,7.28,0.29
-KQTMWRZAVOUNCI_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427524;CHEMBL3427533;CHEMBL3427533;CHEMBL3427524;CHEMBL3427524;CHEMBL3427533,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  6.990;  7.570;  5.740;  5.560;  5.880;  5.740,6.247000000000001,0.755,0.33799999999999997,6.0,5.81,0.16
-KQTMWRZAVOUNCI_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427533;CHEMBL3427524,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1,KQTMWRZAVOUNCI,KQTMWRZAVOUNCI-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-12-11-24-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,21,28,19,7,6,11,10,27,16,17,2,14,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.570;  6.990,7.28,0.29,0.29,2.0,7.28,0.29
-KQVKINXXQMQNIB_on_P41594_WT,High,ChEMBL30,CHEMBL3644409,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nc(F)ccc1)ccc3,KQVKINXXQMQNIB,KQVKINXXQMQNIB-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-6-2-5-18(27-20)16-3-1-4-17-15(16)9-10-29-19(17)11-21(25-12-22(29)31)30-13-26-23(28-30)14-7-8-14/h1-6,11,13-14H,7-10,12H2","""AuxInfo=1/0/N:30,27,29,31,28,26,11,12,18,19,14,3,7,10,17,21,16,22,15,24,5,2,9,25,4,8,23,13,20,6,1/E:(7,8)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCFCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-KQVKINXXQMQNIB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644409,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nc(F)ccc1)ccc3,KQVKINXXQMQNIB,KQVKINXXQMQNIB-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-6-2-5-18(27-20)16-3-1-4-17-15(16)9-10-29-19(17)11-21(25-12-22(29)31)30-13-26-23(28-30)14-7-8-14/h1-6,11,13-14H,7-10,12H2","""AuxInfo=1/0/N:30,27,29,31,28,26,11,12,18,19,14,3,7,10,17,21,16,22,15,24,5,2,9,25,4,8,23,13,20,6,1/E:(7,8)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCFCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KRAVUTURLMCULG_on_Q13255_WT,High,ChEMBL30,CHEMBL3634445,Cc1c(C(=O)Nc2c(F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,KRAVUTURLMCULG,KRAVUTURLMCULG-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,17,20,23,24,27,26,10,2,11,16,15,8,7,3,4,21,13,9,6,12,5,22,14,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCFCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102;CHEMBL3789901,PMID:26476971,2015.0,PMID:26476971;PMID:26988302,2015;2016,1;0,0;1,0,0,0,,=,  7.900;  7.890,7.895,0.005,0.005,2.0,7.895,0.005
-KRAVUTURLMCULG_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634445,Cc1c(C(=O)Nc2c(F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,KRAVUTURLMCULG,KRAVUTURLMCULG-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,17,20,23,24,27,26,10,2,11,16,15,8,7,3,4,21,13,9,6,12,5,22,14,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCFCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KRBOFRLDKXUXMG_on_P41594_WT,High,ChEMBL30,CHEMBL2153781,Cc1nc(NC(=O)c2nccc3c2[nH]cc3)ccc1,KRBOFRLDKXUXMG,KRBOFRLDKXUXMG-UHFFFAOYSA-N,"InChI=1S/C14H12N4O/c1-9-3-2-4-11(17-9)18-14(19)13-12-10(5-7-15-12)6-8-16-13/h2-8,15H,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,18,19,17,16,11,15,10,2,12,4,13,8,6,14,9,3,5,7/rA:19CCNCNCOCNCCCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;s14;s12d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KRDSLYOCDNHTQW_on_P14867_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-KRDSLYOCDNHTQW_on_P18507_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL676826;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770;  5.850;  6.070;  7.140,6.457000000000001,0.52,0.3,4.0,6.42,0.46
-KRDSLYOCDNHTQW_on_P28472_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.140;  6.770;  5.850;  6.070,6.457999999999999,0.52,0.3,4.0,6.42,0.46
-KRDSLYOCDNHTQW_on_P31644_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-KRDSLYOCDNHTQW_on_P34903_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-KRDSLYOCDNHTQW_on_P47869_WT,Low,ChEMBL30,CHEMBL297717,COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1,KRDSLYOCDNHTQW,KRDSLYOCDNHTQW-UHFFFAOYSA-N,"InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3","""AuxInfo=1/0/N:1,23,22,24,15,14,21,25,16,13,5,28,4,29,19,20,6,3,11,12,7,10,17,8,9,26,27,2,18/E:(3,4)(7,8)(11,12)(13,14)/rA:29COCCCCCNNCCCCCCCCOCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s7s10s26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-KREBBRWGDQBCEP_on_P41594_WT,High,ChEMBL30,CHEMBL2431410,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4cccnn4)CC3)c(-c3ccccc3)n2)c1,KREBBRWGDQBCEP,KREBBRWGDQBCEP-UHFFFAOYSA-N,"InChI=1S/C26H25FN6O/c1-19-16-21(9-10-22(19)27)23-17-33(26(29-23)20-6-3-2-4-7-20)18-25(34)32-14-12-31(13-15-32)24-8-5-11-28-30-24/h2-11,16-17H,12-15,18H2,1H3","""AuxInfo=1/0/N:1,30,29,31,20,28,32,19,6,5,21,16,24,15,25,34,9,11,2,27,7,3,8,18,12,26,4,22,33,23,17,14,10,13/E:(3,4)(6,7)(12,13)(14,15)/rA:34CCCFCCCCCNCCONCCNCCCCNNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s27d31;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-KRJYCZRCXQGCOL_on_P41594_WT,High,ChEMBL30,CHEMBL401816,Cc1cn2cc(C(=O)N3CC4CC3CN4C)cc2c(C#Cc2cscc2)n1,KRJYCZRCXQGCOL,KRJYCZRCXQGCOL-UHFFFAOYSA-N,"InChI=1S/C21H20N4OS/c1-14-9-24-10-16(21(26)25-12-17-8-18(25)11-23(17)2)7-20(24)19(22-14)4-3-15-5-6-27-13-15/h5-7,9-10,13,17-18H,8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,16,21,20,26,25,17,12,3,5,14,10,23,2,22,6,11,13,19,18,7,27,15,4,9,8,24/rA:27CCCNCCCONCCCCCNCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s13;s11s14;s15;s6;s4d17;s18;s19;t20;s21;d22;s23;s24;s22d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-KRKRAOXTGDJWNI_on_O15303_WT,High,ChEMBL30,CHEMBL288166,CC(CC(N)C(=O)O)C(=O)O,KRKRAOXTGDJWNI,KRKRAOXTGDJWNI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-KRKRAOXTGDJWNI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL41221,CC(CC(N)C(=O)O)C(=O)O,KRKRAOXTGDJWNI,KRKRAOXTGDJWNI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KRKRAOXTGDJWNI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL41221,CC(CC(N)C(=O)O)C(=O)O,KRKRAOXTGDJWNI,KRKRAOXTGDJWNI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-KRKRAOXTGDJWNI_on_Q14833_WT,Low,ChEMBL30,CHEMBL41221,CC(CC(N)C(=O)O)C(=O)O,KRKRAOXTGDJWNI,KRKRAOXTGDJWNI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.328,3.3280000000000003,0.0,0.0,1.0,3.3280000000000003,0.0
-KRLJVFYHPOGJQA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1802035,O=C1Cc2c(ccc(NC(=O)C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2)N1,KRLJVFYHPOGJQA,KRLJVFYHPOGJQA-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O3/c23-17-3-1-14(2-4-17)11-15-7-9-26(10-8-15)22(29)21(28)24-18-5-6-19-16(12-18)13-20(27)25-19/h1-6,12,15H,7-11,13H2,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:20,25,21,24,7,6,16,26,15,27,18,28,3,19,17,4,22,8,5,2,10,12,23,9,29,14,1,11,13/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCCCCCCCNCOCONCCCCCCCCFCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s14s26;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-KRLJVFYHPOGJQA_on_Q13224_WT,Low,ChEMBL30,CHEMBL1802035,O=C1Cc2c(ccc(NC(=O)C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2)N1,KRLJVFYHPOGJQA,KRLJVFYHPOGJQA-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O3/c23-17-3-1-14(2-4-17)11-15-7-9-26(10-8-15)22(29)21(28)24-18-5-6-19-16(12-18)13-20(27)25-19/h1-6,12,15H,7-11,13H2,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:20,25,21,24,7,6,16,26,15,27,18,28,3,19,17,4,22,8,5,2,10,12,23,9,29,14,1,11,13/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCCCCCCCNCOCONCCCCCCCCFCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s14s26;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-KROJRFASCRNBFF_on_Q13224_WT,High,ChEMBL30,CHEMBL393670,N=C1c2c(cc(OC(F)(F)F)cc2)CN1Cc1cccc2c1occ2,KROJRFASCRNBFF,KROJRFASCRNBFF-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-5-15-13(8-14)10-23(17(15)22)9-12-3-1-2-11-6-7-24-16(11)12/h1-8,22H,9-10H2","""AuxInfo=1/0/N:19,20,18,12,13,25,24,5,16,14,21,17,4,6,3,22,2,8,9,10,11,1,15,23,7/E:(19,20,21)/rA:25NCCCCCOCFFFCCCNCCCCCCCOCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s8;s8;s6;s3d12;s4;s2s14;s15;s16;d17;s18;d19;s20;s17d21;s22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887786;CHEMBL887787,PMID:17498948,2007.0,PMID:17498948,2007,0;1,0,0,1;0,0,,=,  8.660;  7.920,8.29,0.37,0.37,2.0,8.29,0.37
-KRQZLQIJGBQOLA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114284,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C,KRQZLQIJGBQOLA,KRQZLQIJGBQOLA-UHFFFAOYSA-N,"InChI=1S/C23H27N3O2/c1-14-6-7-18(12-21(14)27-5)23-25-22(19-10-15(2)24-16(3)11-19)20-8-9-28-17(4)13-26(20)23/h6-7,10-12,17H,8-9,13H2,1-5H3","""AuxInfo=1/0/N:28,12,15,22,1,26,25,18,19,10,16,4,23,27,11,14,21,5,9,17,3,8,6,13,7,24,2,20/E:(2,3)(10,11)(15,16)/rA:28COCCCCNCCCCCNCCCCCCOCCCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-KRTFDXWHQKBIDM_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771690,Cc1cc(-c2noc(C3CCCCN3C(=O)c3ccc(F)cc3)n2)ccc1,KRTFDXWHQKBIDM,KRTFDXWHQKBIDM-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-14-5-4-6-16(13-14)19-23-20(27-24-19)18-7-2-3-12-25(18)21(26)15-8-10-17(22)11-9-15/h4-6,8-11,13,18H,2-3,7,12H2,1H3","""AuxInfo=1/0/N:1,11,12,26,27,25,10,18,23,19,22,13,3,2,17,4,20,9,5,8,15,21,24,6,14,16,7/E:(8,9)(10,11)/rA:27CCCCCNOCCCCCCNCOCCCCFCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s5d8;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KRVDMABBKYMBHG_on_O00591_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL686132;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482,1996;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.509;  7.260;  7.260,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_O14764_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL686132;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482,1996;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.509;  7.260;  7.260,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_P14867_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370251;CHEMBL3370251;CHEMBL678325;CHEMBL686132;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;PMID:25038482;PMID:11412984;DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482,2014;2014;2001;1996;2014;2014,0,1;1;1;1;0;0,0,0;0;0;0;1;1,0,,=,  4.960;  4.950;  3.796;  3.509;  7.260;  7.260,5.289,1.494,0.6679999999999999,6.0,4.955,1.3030000000000002
-KRVDMABBKYMBHG_on_P18505_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL686132;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482,1996;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.509;  7.260;  7.260,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_P18507_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681094;CHEMBL3370259;CHEMBL3370251;CHEMBL3370257;CHEMBL3370251;CHEMBL3370259;CHEMBL678325;CHEMBL682418;CHEMBL686132;CHEMBL682825;CHEMBL682715;CHEMBL679474;CHEMBL3370257;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:11412984;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:11412984;PMID:11412984;DOI:10.1016/0960-894X(96)00364-2;PMID:11412984;PMID:11412984;PMID:11412984;PMID:25038482;PMID:25038482;PMID:25038482,2001;2014;2014;2014;2014;2014;2001;2001;1996;2001;2001;2001;2014;2014;2014,0,1;1;1;1;1;1;1;1;1;1;1;1;1;0;0,0,0;0;0;0;0;0;0;0;0;0;0;0;0;1;1,0,,=,  3.745;  5.250;  4.960;  5.350;  4.950;  5.250;  3.796;  4.700;  3.509;  4.260;  4.300;  4.120;  5.350;  7.260;  7.260,4.937,1.0859999999999999,0.29,15.0,4.95,0.65
-KRVDMABBKYMBHG_on_P28472_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681094;CHEMBL686132;CHEMBL3370250;CHEMBL3370250;CHEMBL679474;CHEMBL678325;CHEMBL682825;CHEMBL682715;CHEMBL682418,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:11412984;DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984,2001;1996;2014;2014;2001;2001;2001;2001;2001,0,1;1;0;0;1;1;1;1;1,0,0;0;1;1;0;0;0;0;0,0,,=,  3.745;  3.509;  7.260;  7.260;  4.120;  3.796;  4.260;  4.300;  4.700,4.772,1.37,0.484,9.0,4.26,0.46399999999999997
-KRVDMABBKYMBHG_on_P31644_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL686132;CHEMBL3370250;CHEMBL3370250;CHEMBL679474,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482;PMID:11412984,1996;2014;2014;2001,0,1;0;0;1,0,0;1;1;0,0,,=,  3.509;  7.260;  7.260;  4.120,5.537000000000001,1.736,1.002,4.0,5.69,1.57
-KRVDMABBKYMBHG_on_P34903_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL686132;CHEMBL682825;CHEMBL3370259;CHEMBL3370250;CHEMBL3370250;CHEMBL3370259,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:11412984;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482,1996;2001;2014;2014;2014;2014,0,1;1;1;0;0;1,0,0;0;0;1;1;0,0,,=,  3.509;  4.260;  5.250;  7.260;  7.260;  5.250,5.465,1.403,0.628,6.0,5.25,1.3659999999999999
-KRVDMABBKYMBHG_on_P47869_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL686132;CHEMBL3370257;CHEMBL3370257;CHEMBL682715,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;PMID:25038482;DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482;PMID:11412984,2014;2014;1996;2014;2014;2001,0,0;0;1;1;1;1,0,1;1;0;0;0;0,0,,=,  7.260;  7.260;  3.509;  5.350;  5.350;  4.300,5.505,1.393,0.623,6.0,5.35,1.445
-KRVDMABBKYMBHG_on_P47870_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370257;CHEMBL686132;CHEMBL3370259;CHEMBL3370259;CHEMBL3370251;CHEMBL3370257;CHEMBL3370250;CHEMBL3370250;CHEMBL3370251,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482,2014;1996;2014;2014;2014;2014;2014;2014;2014,0,1;1;1;1;1;1;0;0;1,0,0;0;0;0;0;0;1;1;0,0,,=,  5.350;  3.509;  5.250;  5.250;  4.950;  5.350;  7.260;  7.260;  4.960,5.46,1.101,0.389,9.0,5.25,0.29
-KRVDMABBKYMBHG_on_P48169_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250;CHEMBL686132;CHEMBL3370250;CHEMBL681094,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:11412984,2014;1996;2014;2001,0,0;1;0;1,0,1;0;1;0,0,,=,  7.260;  3.509;  7.260;  3.745,5.444,1.818,1.05,4.0,5.502000000000001,1.758
-KRVDMABBKYMBHG_on_P78334_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL686132;CHEMBL3370250;CHEMBL3370250,DOI:10.1016/0960-894X(96)00364-2,1996.0,DOI:10.1016/0960-894X(96)00364-2;PMID:25038482;PMID:25038482,1996;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.509;  7.260;  7.260,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL686132,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;PMID:25038482;DOI:10.1016/0960-894X(96)00364-2,2014;2014;1996,0,0;0;1,0,1;1;0,0,,=,  7.260;  7.260;  3.509,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL686132,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;PMID:25038482;DOI:10.1016/0960-894X(96)00364-2,2014;2014;1996,0,0;0;1,0,1;1;0,0,,=,  7.260;  7.260;  3.509,6.01,1.768,1.25,3.0,7.26,0.0
-KRVDMABBKYMBHG_on_Q16445_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418;CHEMBL3370250;CHEMBL3370250;CHEMBL686132,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:11412984;PMID:25038482;PMID:25038482;DOI:10.1016/0960-894X(96)00364-2,2001;2014;2014;1996,0,1;0;0;1,0,0;1;1;0,0,,=,  4.700;  7.260;  7.260;  3.509,5.682,1.633,0.943,4.0,5.98,1.28
-KRVDMABBKYMBHG_on_Q99928_WT,Low,ChEMBL30,CHEMBL39071,O=C(O)C1=CCNCC1,KRVDMABBKYMBHG,KRVDMABBKYMBHG-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;w?4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL686132,DOI:10.1016/0960-894X(96)00364-2,1996.0,PMID:25038482;PMID:25038482;DOI:10.1016/0960-894X(96)00364-2,2014;2014;1996,0,0;0;1,0,1;1;0,0,,=,  7.260;  7.260;  3.509,6.01,1.768,1.25,3.0,7.26,0.0
-KRZZBQZXBOVMQQ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL434107,CC(C)N1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O,KRZZBQZXBOVMQQ,KRZZBQZXBOVMQQ-UHFFFAOYSA-N,"InChI=1S/C16H15Cl2N3O4/c1-7(2)21-12(22)6-20(16(21)25)5-9-13-10(18)3-8(17)4-11(13)19-14(9)15(23)24/h3-4,7,19H,5-6H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,3,20,17,9,7,2,18,10,21,16,5,23,11,12,24,19,22,15,8,4,6,13,14,25/E:(1,2)(23,24)/rA:25CCCNCOCNCCCCOONCCCClCCClCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;s12;s11;s15;d16;s17;s18;d18;s20;s21;s10s16d21;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-KSAAGOBJZYTCDG_on_P31644_WT,High,ChEMBL30,CHEMBL3681536,Cc1c(COc2ccc(C(=O)NC3(C)CC3)cn2)c(-c2ccccc2)no1,KSAAGOBJZYTCDG,KSAAGOBJZYTCDG-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-14-17(19(24-27-14)15-6-4-3-5-7-15)13-26-18-9-8-16(12-22-18)20(25)23-21(2)10-11-21/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,14,23,22,24,21,25,8,7,15,16,17,4,2,20,9,3,6,19,10,13,18,12,26,11,5,27/E:(4,5)(6,7)(10,11)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-KSCOHHUVHWAXLK_on_O15399_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_O60391_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_Q05586_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_Q12879_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_Q13224_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSCOHHUVHWAXLK_on_Q14957_WT,Low,ChEMBL30,CHEMBL131272,O=C(O)c1cc(S)c2ccc(Cl)cc2n1,KSCOHHUVHWAXLK,KSCOHHUVHWAXLK-UHFFFAOYSA-N,"InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)","""AuxInfo=1/1/N:10,9,13,5,11,8,14,4,6,2,12,15,1,3,7/E:(13,14)/rA:15OCOCCCSCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d6;s8;d9;s10;s11;d11;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL750464,PMID:7990104,1994.0,PMID:7990104,1994,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-KSFORQNIMBTFKH_on_Q14416_WT,High,ChEMBL30,CHEMBL4075537,COc1ncc(COc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2F)cc1,KSFORQNIMBTFKH,KSFORQNIMBTFKH-UHFFFAOYSA-N,"InChI=1S/C24H20F4N4O2/c1-33-21-7-4-15(12-29-21)13-34-19-6-5-16(11-18(19)25)17-8-9-32-20(10-14-2-3-14)30-31-23(32)22(17)24(26,27)28/h4-9,11-12,14H,2-3,10,13H2,1H3","""AuxInfo=1/0/N:1,25,26,33,11,10,34,29,28,23,30,5,7,24,6,12,13,31,9,22,3,14,19,15,32,16,17,18,4,21,20,27,2,8/E:(2,3)(26,27,28)/rA:34COCNCCCOCCCCCCCFFFCNNCCCCCNCCCCFCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s9d30;s31;s6;s3d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,0;1;0,1;0;0,0,,=,  7.930;  7.800;  7.390,7.707000000000001,0.23,0.163,3.0,7.8,0.13
-KSIZYZXLNAKHNK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3945334,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(C)C)c3)n2)cc(C)n1,KSIZYZXLNAKHNK,KSIZYZXLNAKHNK-UHFFFAOYSA-N,"InChI=1S/C24H28FN3O2/c1-15(2)14-30-22-13-18(5-6-20(22)25)24-27-23(19-11-16(3)26-17(4)12-19)21-7-9-29-10-8-28(21)24/h5-6,11-13,15H,7-10,14H2,1-4H3","""AuxInfo=1/0/N:23,24,1,29,15,16,7,11,8,10,3,27,25,21,22,2,28,14,4,17,6,19,5,13,18,30,26,12,9,20/E:(1,2)(3,4)(11,12)(16,17)/rA:30CCCCCCCCOCCNCCCCCFCOCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s22;s14d19;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-KSMWUJIVIRLPNY_on_P41594_WT,Medium,ChEMBL30,CHEMBL366333,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Nc2cnccc2)c1,KSMWUJIVIRLPNY,KSMWUJIVIRLPNY-UHFFFAOYSA-N,"InChI=1S/C17H12FN7/c18-12-8-14(21-13-4-3-6-19-11-13)10-15(9-12)25-23-17(22-24-25)16-5-1-2-7-20-16/h1-11,21H","""AuxInfo=1/0/N:13,12,23,24,14,22,11,25,3,16,20,2,19,17,4,9,8,1,21,10,18,7,15,6,5/rA:25FCCCNNNCCNCCCCNCCNCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;s18;d19;s20;d21;s22;s19d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-KSNGKFZHOBHQPZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106552,CC1CN(Cc2ccc3c(-c4c[nH]nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,KSNGKFZHOBHQPZ,KSNGKFZHOBHQPZ-UHFFFAOYSA-N,"InChI=1S/C20H20F3N5O2/c1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)","""AuxInfo=1/1/N:1,7,8,23,16,12,15,3,5,24,2,6,11,9,10,22,17,25,18,26,27,28,29,19,13,14,21,4,20,30/E:(6,7)(21,22,23)(25,26)/rA:30CCCNCCCCCCCCNNCCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s11d14;d10;s16;s17;s18;d18;d17;s9s21;s6d22;s4;s24;s25;s26;s26;s26;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-KSNLPRQYWBIDPD_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL248356;44441379,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1C(F)(F)F,KSNLPRQYWBIDPD,KSNLPRQYWBIDPD-UHFFFAOYSA-N,"InChI=1S/C23H14ClF3N2O3/c24-14-9-10-19(28-20(30)17-7-3-4-8-18(17)23(25,26)27)13(11-14)12-29-21(31)15-5-1-2-6-16(15)22(29)32/h1-11H,12H2,(H,28,30)","""AuxInfo=1/1/N:18,19,25,26,17,20,24,27,6,5,9,11,10,7,16,15,23,28,4,2,21,13,29,8,30,31,32,3,12,1,22,14/E:(1,2)(5,6)(15,16)(21,22)(25,26,27)(31,32)/rA:32OCNCCCCClCCCNCOCCCCCCCOCCCCCCCFFF/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  5.240;  5.244,5.242000000000001,0.002,0.002,2.0,5.242000000000001,0.002
-KSOWNONUYKMLPV_on_Q13255_WT,High,ChEMBL30,CHEMBL3758986,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1,KSOWNONUYKMLPV,KSOWNONUYKMLPV-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-24-7-6-22-16(24)17(26)23-11-3-5-15(14(20)9-11)25-18(27)12-4-2-10(21)8-13(12)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,4,3,19,28,20,10,17,18,26,13,6,7,15,24,27,21,5,9,2,14,8,16,25/rA:28CNCCNCCONCCCCNCOCCCCFCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.170;  6.170,6.17,0.0,0.0,2.0,6.17,0.0
-KSOWNONUYKMLPV_on_Q14833_WT,High,ChEMBL30,CHEMBL3758986,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1,KSOWNONUYKMLPV,KSOWNONUYKMLPV-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-24-7-6-22-16(24)17(26)23-11-3-5-15(14(20)9-11)25-18(27)12-4-2-10(21)8-13(12)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,4,3,19,28,20,10,17,18,26,13,6,7,15,24,27,21,5,9,2,14,8,16,25/rA:28CNCCNCCONCCCCNCOCCCCFCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-KSPDJPOUSYZYOV_on_Q14833_WT,Low,ChEMBL30,CHEMBL3799559,CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)cncc3)cc2)nc1,KSPDJPOUSYZYOV,KSPDJPOUSYZYOV-UHFFFAOYSA-N,"InChI=1S/C18H16ClN5O2/c1-2-11-8-22-18(23-9-11)26-16-4-3-12(7-14(16)19)24-17(25)13-5-6-21-10-15(13)20/h3-10H,2,20H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,2,23,24,22,21,11,4,26,19,3,12,16,9,17,8,14,6,10,18,20,5,25,13,15,7/E:(8,9)(22,23)/rA:26CCCCNCOCCClCCNCOCCNCNCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;s17;d19;s20;s16d21;s12;s8d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KSRHDINKWJNBBG_on_P41594_WT,Low,ChEMBL30,CHEMBL1783989,COc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,KSRHDINKWJNBBG,KSRHDINKWJNBBG-UHFFFAOYSA-N,"InChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)23-6-8-24(9-7-23)21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3","""AuxInfo=1/0/N:1,6,5,7,4,10,26,11,25,18,20,22,24,16,23,19,17,21,8,3,13,15,9,12,14,2/E:(6,7)(8,9)(10,11,12)(13,14,15)(16,17,18)/rA:26COCCCCCCNCCNCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;s12;s9s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KSSMUDDDTIMETC_on_P41594_WT,High,ChEMBL30,CHEMBL460827,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1,KSSMUDDDTIMETC,KSSMUDDDTIMETC-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)16-12-23(21-20-16)15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,20,16,21,10,24,9,25,13,11,18,15,12,6,2,19,23,22,8,14,7,5/E:(1,2,3)(4,5)(6,7)/rA:25CCCCOCONCCCCCNCCCCFCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-KSSMUDDDTIMETC_on_Q13255_WT,High,ChEMBL30,CHEMBL460827,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1,KSSMUDDDTIMETC,KSSMUDDDTIMETC-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)16-12-23(21-20-16)15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,20,16,21,10,24,9,25,13,11,18,15,12,6,2,19,23,22,8,14,7,5/E:(1,2,3)(4,5)(6,7)/rA:25CCCCOCONCCCCCNCCCCFCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-KSSPGPSHQNCEJH_on_P41594_WT,Low,ChEMBL30,CHEMBL1783864,C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,KSSPGPSHQNCEJH,KSSPGPSHQNCEJH-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCClCCCO/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-KSSPGPSHQNCEJH_on_Q13255_WT,High,ChEMBL30,CHEMBL1783864,C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,KSSPGPSHQNCEJH,KSSPGPSHQNCEJH-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCClCCCO/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-KSTTZFILKPTCSX_on_Q14416_WT,High,ChEMBL30,CHEMBL3953417,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1,KSTTZFILKPTCSX,KSTTZFILKPTCSX-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28)","""AuxInfo=1/1/N:22,21,23,16,8,13,9,12,15,20,26,5,18,17,7,10,14,6,27,4,24,2,11,1,28,19,25,3/E:(5,6)(7,8)/rA:28NCOCCCCCCCFCCCCCCCNCCCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-KSTTZFILKPTCSX_on_Q14832_WT,Low,ChEMBL30,CHEMBL3953417,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1,KSTTZFILKPTCSX,KSTTZFILKPTCSX-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O2/c23-16-7-5-15(6-8-16)18-12-20(22(24)28)25-19-11-14(4-9-17(18)19)13-26-10-2-1-3-21(26)27/h4-9,11-12H,1-3,10,13H2,(H2,24,28)","""AuxInfo=1/1/N:22,21,23,16,8,13,9,12,15,20,26,5,18,17,7,10,14,6,27,4,24,2,11,1,28,19,25,3/E:(5,6)(7,8)/rA:28NCOCCCCCCCFCCCCCCCNCCCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KSUZOHBQEQTOLO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546510;CHEMBL3086713,COC(=O)N1CC2CCC(O)(C#Cc3cccc(C)c3)CC2C1,KSUZOHBQEQTOLO,KSUZOHBQEQTOLO-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-4-3-5-15(10-14)6-8-19(22)9-7-16-12-20(18(21)23-2)13-17(16)11-19/h3-5,10,16-17,22H,7,9,11-13H2,1-2H3","""AuxInfo=1/0/N:19,1,16,17,15,13,8,12,9,20,21,6,23,18,14,7,22,3,10,5,4,11,2/rA:23COCONCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s10;t12;s13;d14;s15;d16;s17;s18;s14d18;s10;s7s21;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.032;  6.030,6.031000000000001,0.001,0.001,2.0,6.031000000000001,0.001
-KSYVJHGNJMYDIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-KSYVJHGNJMYDIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829006;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770;  7.890;  8.230;  9.270,8.54,0.525,0.303,4.0,8.5,0.44
-KSYVJHGNJMYDIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890;  9.270;  8.230;  8.770,8.54,0.525,0.303,4.0,8.5,0.44
-KSYVJHGNJMYDIQ_on_P31644_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.270,9.27,0.0,0.0,1.0,9.27,0.0
-KSYVJHGNJMYDIQ_on_P34903_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-KSYVJHGNJMYDIQ_on_P47869_WT,Low,ChEMBL30,CHEMBL179475,N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1,KSYVJHGNJMYDIQ,KSYVJHGNJMYDIQ-UHFFFAOYSA-N,"InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2","""AuxInfo=1/0/N:14,13,15,30,12,16,31,24,26,23,27,29,2,5,25,22,11,3,4,20,21,10,19,7,1,28,17,18,8,9,6/E:(2,3)(5,6)(8,9)(10,11)/rA:31NCCCCOCNNCCCCCCCNNCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-KTAIFQOKKAMUDS_on_O15399_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_O60391_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTAIFQOKKAMUDS_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365801,N=C(N)NN=Cc1c(C(F)(F)F)cccc1,KTAIFQOKKAMUDS,KTAIFQOKKAMUDS-UHFFFAOYSA-N,"InChI=1S/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,16,13,6,7,8,2,9,10,11,12,1,3,5,4/E:(10,11,12)(13,14)/rA:16NCNNNCCCCFFFCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s9;s9;s8;d13;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-KTBUGJRJKSSXAY_on_Q13255_WT,High,ChEMBL30,CHEMBL3759647,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1,KTBUGJRJKSSXAY,KTBUGJRJKSSXAY-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-24-7-6-22-16(24)17(26)23-11-3-5-15(14(21)9-11)25-18(27)12-4-2-10(20)8-13(12)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,4,3,19,28,20,10,17,18,26,13,6,7,15,24,21,27,5,9,2,14,8,16,25/rA:28CNCCNCCONCCCCNCOCCCCClCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.580;  6.580,6.58,0.0,0.0,2.0,6.58,0.0
-KTBUGJRJKSSXAY_on_Q14833_WT,High,ChEMBL30,CHEMBL3759647,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1,KTBUGJRJKSSXAY,KTBUGJRJKSSXAY-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-24-7-6-22-16(24)17(26)23-11-3-5-15(14(21)9-11)25-18(27)12-4-2-10(20)8-13(12)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,4,3,19,28,20,10,17,18,26,13,6,7,15,24,21,27,5,9,2,14,8,16,25/rA:28CNCCNCCONCCCCNCOCCCCClCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KTCJCDGOZKEUPM_on_P41594_WT,High,ChEMBL30,CHEMBL2205925,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC(F)(F)F)cc2)c1=O,KTCJCDGOZKEUPM,KTCJCDGOZKEUPM-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5O2S/c1-24(2)14-11-12-13(28-15(11)22-7-21-14)16(26)25(8-23-12)9-3-5-10(6-4-9)27-17(18,19)20/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,17,26,18,25,8,14,16,19,5,12,11,4,6,27,21,22,23,24,9,7,13,2,15,28,20,10/E:(1,2)(3,4)(5,6)(18,19,20)/rA:28CNCCCCNCNSCCNCNCCCCOCFFFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s16d25;s11s15;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KTCJCDGOZKEUPM_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205925;57559648,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC(F)(F)F)cc2)c1=O,KTCJCDGOZKEUPM,KTCJCDGOZKEUPM-UHFFFAOYSA-N,"InChI=1S/C17H12F3N5O2S/c1-24(2)14-11-12-13(28-15(11)22-7-21-14)16(26)25(8-23-12)9-3-5-10(6-4-9)27-17(18,19)20/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,17,26,18,25,8,14,16,19,5,12,11,4,6,27,21,22,23,24,9,7,13,2,15,28,20,10/E:(1,2)(3,4)(5,6)(18,19,20)/rA:28CNCCCCNCNSCCNCNCCCCOCFFFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s16d25;s11s15;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  7.850;  7.854,7.852,0.002,0.002,2.0,7.852,0.002
-KTCVBFGIRHNFPA_on_P31644_WT,High,ChEMBL30,CHEMBL3681625,CC(C)(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,KTCVBFGIRHNFPA,KTCVBFGIRHNFPA-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O4/c1-20(2,12-25)23-19(26)14-5-8-17(22-9-14)27-10-15-11-28-24-18(15)13-3-6-16(21)7-4-13/h3-9,11,25H,10,12H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,3,21,26,10,22,25,11,28,14,16,4,20,9,15,23,12,19,7,2,24,27,6,18,5,8,13,17/E:(1,2)(3,4)(6,7)/rA:28CCCCONCOCCCCOCCCONCCCCCClCCNC/rB:s1;s2;s2;s4;s2;s6;d7;s7;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-KTEGYFAULQWAKW_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628094,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)C1CCCO1,KTEGYFAULQWAKW,KTEGYFAULQWAKW-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O4/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,23)","""AuxInfo=1/1/N:14,15,24,13,16,23,5,6,25,21,4,12,11,19,7,22,2,17,9,20,3,8,1,18,10,26/E:(1,2)(4,5)(12,13)(18,19)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-KTFRBKXLNKKPEA_on_O00591_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.830;  7.500,7.165,0.335,0.335,2.0,7.165,0.335
-KTFRBKXLNKKPEA_on_O14764_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL4040856,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2017,1;1;0,0;0;1,0,0,0,,=,  6.830;  7.500;  5.910,6.747000000000001,0.652,0.461,3.0,6.83,0.67
-KTFRBKXLNKKPEA_on_P14867_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053;CHEMBL4040854;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313;PMID:25799373,2015;2015;2015;2015;2017;2015,1;0;0;0;0;1,0;1;1;1;1;0,0,0,0,,=,  6.830;  5.840;  5.940;  6.030;  6.010;  7.500,6.358,0.605,0.271,6.0,6.02,0.13
-KTFRBKXLNKKPEA_on_P18505_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  7.500;  6.830;  5.940;  5.840;  6.030,6.428,0.6409999999999999,0.32,5.0,6.03,0.19
-KTFRBKXLNKKPEA_on_P18507_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL4040854,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2017,1;1;0,0;0;1,0,0,0,,=,  7.500;  6.830;  6.010,6.78,0.609,0.431,3.0,6.83,0.67
-KTFRBKXLNKKPEA_on_P28472_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427530;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427521,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:28753313;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373,2017;2015;2015;2015;2015;2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  5.910;  5.840;  6.030;  5.940;  7.500;  6.830,6.3420000000000005,0.616,0.275,6.0,5.985,0.11
-KTFRBKXLNKKPEA_on_P31644_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0,1;1;0;0;1,0,0,0,,=,  5.940;  6.030;  6.830;  7.500;  5.840,6.428,0.6409999999999999,0.32,5.0,6.03,0.19
-KTFRBKXLNKKPEA_on_P34903_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  7.500;  6.830;  5.840;  5.940;  6.030,6.428,0.6409999999999999,0.32,5.0,6.03,0.19
-KTFRBKXLNKKPEA_on_P47869_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  7.500;  6.830;  5.940;  5.840;  6.030,6.428,0.6409999999999999,0.32,5.0,6.03,0.19
-KTFRBKXLNKKPEA_on_P47870_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3427980;CHEMBL4040854;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:28753313;PMID:25799373;PMID:25799373;PMID:25799373,2015;2015;2017;2015;2015;2015,0;0;0;1;1;0,1;1;1;0;0;1,0,0,0,,=,  5.840;  5.940;  6.010;  7.500;  6.830;  6.030,6.358,0.605,0.271,6.0,6.02,0.13
-KTFRBKXLNKKPEA_on_P48169_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530;CHEMBL3427530;CHEMBL3427521,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:28753313;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373,2017;2015;2015;2015;2015;2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  5.910;  6.030;  5.940;  5.840;  7.500;  6.830,6.3420000000000005,0.616,0.275,6.0,5.985,0.11
-KTFRBKXLNKKPEA_on_P78334_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.500;  6.830,7.165,0.335,0.335,2.0,7.165,0.335
-KTFRBKXLNKKPEA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.830;  7.500,7.165,0.335,0.335,2.0,7.165,0.335
-KTFRBKXLNKKPEA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.500;  6.830,7.165,0.335,0.335,2.0,7.165,0.335
-KTFRBKXLNKKPEA_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427521;CHEMBL3427530;CHEMBL3427530;CHEMBL3427521;CHEMBL3427530,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0;0;1,0;1;1;1;0,0,0,0,,=,  6.830;  5.840;  6.030;  5.940;  7.500,6.428,0.6409999999999999,0.32,5.0,6.03,0.19
-KTFRBKXLNKKPEA_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427530;CHEMBL3427521,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1,KTFRBKXLNKKPEA,KTFRBKXLNKKPEA-UHFFFAOYSA-N,"InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,15,22,8,9,26,25,5,12,4,13,23,21,28,19,7,6,11,10,27,16,17,2,14,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.500;  6.830,7.165,0.335,0.335,2.0,7.165,0.335
-KTFXSXTXQMPJMO_on_P41594_WT,High,ChEMBL30,CHEMBL3702417,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-n1cccn1)ccc3,KTFXSXTXQMPJMO,KTFXSXTXQMPJMO-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c30-23-13-24-22(27-14-19(25-15-27)16-4-1-5-16)12-21-17-6-2-7-20(29-10-3-9-26-29)18(17)8-11-28(21)23/h2-3,6-7,9-10,12,14-16H,1,4-5,8,11,13H2","""AuxInfo=1/0/N:12,29,25,11,13,30,28,19,26,24,20,15,3,14,7,10,17,18,9,22,16,5,2,4,8,27,6,21,23,1/E:(4,5)/rA:30OCCNCNCNCCCCCCCCCCCCNCNCCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;d24;s25;s23d26;d22;s28;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-KTFXSXTXQMPJMO_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702417,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-n1cccn1)ccc3,KTFXSXTXQMPJMO,KTFXSXTXQMPJMO-UHFFFAOYSA-N,"InChI=1S/C23H22N6O/c30-23-13-24-22(27-14-19(25-15-27)16-4-1-5-16)12-21-17-6-2-7-20(29-10-3-9-26-29)18(17)8-11-28(21)23/h2-3,6-7,9-10,12,14-16H,1,4-5,8,11,13H2","""AuxInfo=1/0/N:12,29,25,11,13,30,28,19,26,24,20,15,3,14,7,10,17,18,9,22,16,5,2,4,8,27,6,21,23,1/E:(4,5)/rA:30OCCNCNCNCCCCCCCCCCCCNCNCCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;d24;s25;s23d26;d22;s28;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KTLUTBQGBABJDU_on_O15399_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_O60391_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_Q05586_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_Q12879_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_Q13224_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTLUTBQGBABJDU_on_Q14957_WT,Low,ChEMBL30,CHEMBL79437,CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1,KTLUTBQGBABJDU,KTLUTBQGBABJDU-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-3-7-15-9-5-11-17(13-15)21-19(20)22-18-12-6-10-16(14-18)8-4-2/h5-6,9-14H,3-4,7-8H2,1-2H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,18,2,17,6,20,3,16,5,19,7,21,22,14,4,15,8,13,10,11,9,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCCNCNNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;s16;s17;d15;s19;s13d20;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-KTRQNCVZFVGSQC_on_P31644_WT,High,ChEMBL30,CHEMBL3681605,O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,KTRQNCVZFVGSQC,KTRQNCVZFVGSQC-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O3/c21-17-6-3-14(4-7-17)19-16(12-27-24-19)11-26-18-8-5-15(10-22-18)20(25)23-9-13-1-2-13/h3-8,10,12-13H,1-2,9,11H2,(H,23,25)","""AuxInfo=1/1/N:6,7,20,25,9,21,24,10,4,27,13,15,5,19,8,14,22,11,18,2,23,26,3,17,1,12,16/E:(1,2)(3,4)(6,7)/rA:27OCNCCCCCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5s6;s2;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-KTRXVZFZSUBWRO_on_P41594_WT,High,ChEMBL30,CHEMBL3746298,COc1cnc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1,KTRXVZFZSUBWRO,KTRXVZFZSUBWRO-UHFFFAOYSA-N,"InChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,26,25,8,9,21,4,13,12,15,3,22,6,23,5,11,7,10,24,2,14/E:(3,4)(5,6)/rA:26COCCNCNCCNNCCOCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12;s10d21;s7s22;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.210;  6.210,6.21,0.0,0.0,2.0,6.21,0.0
-KTTNXBKPKAQVJX_on_P31644_WT,High,ChEMBL30,CHEMBL3676494,CCNC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1,KTTNXBKPKAQVJX,KTTNXBKPKAQVJX-UHFFFAOYSA-N,"InChI=1S/C26H31N5O4/c1-3-27-23(32)16-31-13-7-10-21(15-31)29-26(33)20-11-12-24(28-14-20)34-17-22-18(2)35-30-25(22)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,21H,3,7,10,13,15-17H2,1-2H3,(H,27,32)(H,29,33)","""AuxInfo=1/1/N:1,23,2,30,29,31,9,28,32,10,16,17,8,34,35,6,20,22,27,15,11,21,4,18,26,13,3,33,12,25,7,5,14,19,24/E:(5,6)(8,9)/rA:35CCNCOCNCCCCNCOCCCCOCCCCONCCCCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;d21;s22;s22;s24;s21d25;s26;d27;s28;d29;s30;s27d31;s18;s15d33;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-KTUODIAJCGIYJT_on_P41594_WT,High,ChEMBL30,CHEMBL3422871,COc1ccc(C(=O)Nc2c(C#N)c3c(CN(C(=O)c4n[nH]c(C(C)C)c4)CC3)s2)cc1,KTUODIAJCGIYJT,KTUODIAJCGIYJT-UHFFFAOYSA-N,"InChI=1S/C23H23N5O3S/c1-13(2)18-10-19(27-26-18)23(30)28-9-8-16-17(11-24)22(32-20(16)12-28)25-21(29)14-4-6-15(31-3)7-5-14/h4-7,10,13H,8-9,12H2,1-3H3,(H,25,29)(H,26,27)","""AuxInfo=1/1/N:25,26,1,5,31,4,32,29,28,27,12,16,24,6,3,14,11,23,20,15,7,10,18,13,9,22,21,17,8,19,2,30/E:(1,2)(4,5)(6,7)/rA:32COCCCCCONCCCNCCCNCOCNNCCCCCCCSCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;d10;s11;t12;s11;d14;s15;s16;s17;d18;s18;d20;s21;s22;s23;s24;s24;s20d23;s17;s14s28;s10s15;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3423873,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-KTVHHINEFPPAGV_on_P41594_WT,High,ChEMBL30,CHEMBL3740015,Cc1cccc(NC(=O)c2nc(Br)cs2)n1,KTVHHINEFPPAGV,KTVHHINEFPPAGV-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3OS/c1-6-3-2-4-8(12-6)14-9(15)10-13-7(11)5-16-10/h2-5H,1H3,(H,12,14,15)","""AuxInfo=1/1/N:1,4,3,5,14,2,12,6,8,10,13,16,11,7,9,15/rA:16CCCCCCNCOCNCBrCSN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3744478,PMID:26598462,2016.0,PMID:26598462,2016,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-KTXWFEAGWFDBTJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337512,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCCC(F)(F)F)c1=O,KTXWFEAGWFDBTJ,KTXWFEAGWFDBTJ-UHFFFAOYSA-N,"InChI=1S/C21H22F3N3O/c22-21(23,24)10-4-11-27-14-9-19(18(15-25)20(27)28)26-12-7-17(8-13-26)16-5-2-1-3-6-16/h1-3,5-6,9,14,17H,4,7-8,10-13H2","""AuxInfo=1/0/N:12,11,13,21,10,14,7,15,17,22,20,6,16,18,2,9,8,3,4,27,23,24,25,26,1,5,19,28/E:(2,3)(5,6)(7,8)(12,13)(22,23,24)/rA:28NCCCNCCCCCCCCCCCCCNCCCCFFFCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s23;s23;s23;s3s19;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-KTYWQIWONODXST_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936318;CHEMBL4111091;CHEMBL3894162;CHEMBL4113348,CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,KTYWQIWONODXST,KTYWQIWONODXST-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O2/c1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30)","""AuxInfo=1/1/N:1,14,7,8,24,17,16,3,5,12,25,2,6,11,9,10,23,18,26,19,27,28,29,30,20,15,22,13,4,21,31/E:(22,23,24)/rA:31CCCNCCCCCCCCNCNCCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s13;s11d15;d10;s17;s18;s19;d19;d18;s9s22;s6d23;s4;s25;s26;s27;s27;s27;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.770;  7.960;  7.770;  7.800,7.825,0.079,0.046,4.0,7.785,0.015
-KUBZRKMLPXTNNN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3963484,O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2F)nc1)c1ccccn1,KUBZRKMLPXTNNN,KUBZRKMLPXTNNN-UHFFFAOYSA-N,"InChI=1S/C15H9F3N4O3S/c16-10-4-5-12(14(18)13(10)17)26(24,25)22-8-9(7-20-22)21-15(23)11-3-1-2-6-19-11/h1-8H,(H,21,23)","""AuxInfo=1/1/N:23,24,22,12,11,25,20,5,4,13,21,10,15,17,2,14,16,18,26,19,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCCCCFCFCFNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s17;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-KUCDOJMOTMEEOF_on_P41594_WT,Low,ChEMBL30,CHEMBL393922,COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1,KUCDOJMOTMEEOF,KUCDOJMOTMEEOF-UHFFFAOYSA-N,"InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3","""AuxInfo=1/0/N:1,5,25,4,26,21,20,17,8,6,3,16,14,15,10,11,13,23,22,18,9,7,24,2,19,12/E:(2,3)(4,5)/rA:26COCCCCNCNCCSCCCCCNOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s16;s19;s20;s15s21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KUCDOJMOTMEEOF_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16659967;CHEMBL393922,COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1,KUCDOJMOTMEEOF,KUCDOJMOTMEEOF-UHFFFAOYSA-N,"InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3","""AuxInfo=1/0/N:1,5,25,4,26,21,20,17,8,6,3,16,14,15,10,11,13,23,22,18,9,7,24,2,19,12/E:(2,3)(4,5)/rA:26COCCCCNCNCCSCCCCCNOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s16;s19;s20;s15s21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:302748;CHEMBL899859,PMID:17929793,2007.0,PubChemAID:302748;PMID:17929793,2010;2007,0;1,0,0,0,1;0,,=,  8.602;  8.600,8.601,0.001,0.001,2.0,8.601,0.001
-KUIJABITQGCOCV_on_O15399_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  4.530,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_O60391_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.530;  5.420,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  4.530,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.530;  5.420,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.530;  5.420,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.530;  5.420,4.975,0.445,0.445,2.0,4.975,0.445
-KUIJABITQGCOCV_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180232,C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N,KUIJABITQGCOCV,KUIJABITQGCOCV-UHFFFAOYSA-N,"InChI=1S/C16H24N6/c1-3-8-21(15(17)18)11-13-6-5-7-14(10-13)12-22(9-4-2)16(19)20/h3-7,10H,1-2,8-9,11-12H2,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,7,5,9,6,8,20,14,21,22,15,16,4,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22CCCNCCCCCNCCCCNNCCCCNN/rB:d1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.530;  5.420,4.975,0.445,0.445,2.0,4.975,0.445
-KUISDRLPNNVFHK_on_Q13255_WT,High,ChEMBL30,CHEMBL3760068,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)[nH]cc1,KUISDRLPNNVFHK,KUISDRLPNNVFHK-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3/c1-11-8-9-22-17(11)18(25)23-12-6-7-16(15(21)10-12)24-19(26)13-4-2-3-5-14(13)20(24)27/h2-10,22H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,27,26,24,2,7,15,14,22,10,3,4,20,12,23,25,6,11,5,21,13/E:(2,3)(4,5)(13,14)(19,20)(26,27)/rA:27CCCCONCCCCNCOCCCCCCCOCClCNCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.470;  5.460,5.465,0.005,0.005,2.0,5.465,0.005
-KULUXECFULRYIY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3929304,CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4C)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,KULUXECFULRYIY,KULUXECFULRYIY-UHFFFAOYSA-N,"InChI=1S/C24H22F3N5O2/c1-3-23(34,24(25,26)27)21-13-32(31-30-21)12-15-8-9-17-18(16-7-5-4-6-14(16)2)11-20(22(28)33)29-19(17)10-15/h4-11,13,34H,3,12H2,1-2H3,(H2,28,33)","""AuxInfo=1/1/N:1,20,2,17,16,18,15,10,11,28,21,8,6,19,9,14,12,13,27,22,5,23,3,31,32,33,34,24,26,30,29,7,25,4/E:(25,26,27)/rA:34CCCOCCNCCCCCCCCCCCCCCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-KUNXGLVWEOQNCV_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,49865399;CHEMBL1223314,CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1,KUNXGLVWEOQNCV,KUNXGLVWEOQNCV-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O3S/c1-23(17-5-3-2-4-15(17)19)27(25,26)14-8-6-13(7-9-14)22-18(24)16-10-11-20-12-21-16/h2-12H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,6,5,7,4,15,26,14,27,21,22,24,16,13,8,20,3,18,9,23,25,17,2,19,11,12,10/E:(6,7)(8,9)(25,26)/CRV:27.6/rA:27CNCCCCCCClSOOCCCCNCOCCCNCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s2;d10;d10;s10;d13;s14;d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s16;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:501614;CHEMBL1228192,PMID:20667732,2010.0,PubChemAID:501614;PMID:20667732,2011;2010,0,0;1,0,0,1;0,,=,  6.004;  6.000,6.002000000000001,0.002,0.002,2.0,6.002000000000001,0.002
-KUOLUIXWHMAUNN_on_Q14833_WT,High,ChEMBL30,CHEMBL4245763,CC(C)Oc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,KUOLUIXWHMAUNN,KUOLUIXWHMAUNN-UHFFFAOYSA-N,"InChI=1S/C17H18N6O/c1-10(2)24-17-12-7-6-11(9-14(12)23(3)22-17)19-16-15-13(20-21-16)5-4-8-18-15/h4-10H,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,8,19,20,12,11,18,24,2,13,10,21,9,16,15,5,17,14,22,23,6,7,4/E:(1,2)/rA:24CCCOCNNCCCCCCNCCNCCCCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s7;s5d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;d19;s16s20;d21;s15s22;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-KURXRIHBLQXUKV_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3900600,Cc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,KURXRIHBLQXUKV,KURXRIHBLQXUKV-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4/c1-8-4-5-9(7-10(8)14)16-13-12-11(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,11,12,3,4,10,16,2,5,17,13,8,7,18,9,6,14,15/rA:18CCCCCNCCNCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-KUUAHIACBPTHSB_on_Q13224_WT,Medium,ChEMBL30,CHEMBL351010,N=C(NCc1cc(Cl)ccc1)c1cc(F)ccc1,KUUAHIACBPTHSB,KUUAHIACBPTHSB-UHFFFAOYSA-N,"InChI=1S/C14H12ClFN2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:10,17,11,18,9,16,6,13,4,5,12,7,14,2,8,15,1,3/rA:18NCNCCCCClCCCCCCFCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-KUUBQNTYRGCVKJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3884170,Clc1ccc(COc2c(Cl)c3nnc(CC4CC4)n3cc2)cc1,KUUBQNTYRGCVKJ,KUUBQNTYRGCVKJ-UHFFFAOYSA-N,"InChI=1S/C17H15Cl2N3O/c18-13-5-3-12(4-6-13)10-23-14-7-8-22-15(9-11-1-2-11)20-21-17(22)16(14)19/h3-8,11H,1-2,9-10H2","""AuxInfo=1/0/N:17,18,4,22,3,23,21,20,15,6,16,5,2,8,14,9,11,1,10,13,12,19,7/E:(1,2)(3,4)(5,6)/rA:23ClCCCCCOCCClCNNCCCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s12;d13;s14;s15;s16;s16s17;s11s14;s19;s8d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-KUURPSPCGMMTRS_on_O00222_WT,High,ChEMBL30,CHEMBL4059673,NC(CCP(=O)(O)C(O)c1c[nH]c2c1cccn2)C(=O)O,KUURPSPCGMMTRS,KUURPSPCGMMTRS-UHFFFAOYSA-N,"InChI=1S/C12H16N3O5P/c13-9(11(16)17)3-5-21(19,20)12(18)8-6-15-10-7(8)2-1-4-14-10/h1-2,4,6,9,12,18H,3,5,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:16,15,3,17,4,11,14,10,2,13,19,8,1,18,12,20,21,9,6,7,5/E:(16,17)(19,20)/rA:21NCCCPOOCOCCNCCCCCNCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-KUURPSPCGMMTRS_on_Q14833_WT,High,ChEMBL30,CHEMBL4059673,NC(CCP(=O)(O)C(O)c1c[nH]c2c1cccn2)C(=O)O,KUURPSPCGMMTRS,KUURPSPCGMMTRS-UHFFFAOYSA-N,"InChI=1S/C12H16N3O5P/c13-9(11(16)17)3-5-21(19,20)12(18)8-6-15-10-7(8)2-1-4-14-10/h1-2,4,6,9,12,18H,3,5,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:16,15,3,17,4,11,14,10,2,13,19,8,1,18,12,20,21,9,6,7,5/E:(16,17)(19,20)/rA:21NCCCPOOCOCCNCCCCCNCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;s10d13;s14;d15;s16;s13d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-KUUYLIRBNFETQC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2069373;44091571,O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1ccc(Cl)cc1,KUUYLIRBNFETQC,KUUYLIRBNFETQC-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-13-4-6-15(7-5-13)23-10-12(9-16(23)24)18-21-17(22-25-18)11-2-1-3-14(20)8-11/h1-8,12H,9-10H2","""AuxInfo=1/0/N:10,9,11,21,24,20,25,14,3,17,8,4,22,12,19,2,7,5,23,13,6,15,18,1,16/E:(4,5)(6,7)/rA:25OCCCCNCCCCCCFCNOCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730;PubChemAID:676851,PMID:22832311,2012.0,PMID:22832311;PubChemAID:676851,2012;2013,0,1;0,0,0,0;1,,=,  6.200;  6.201,6.2,0.0,0.0,2.0,6.2,0.0
-KUWVUYBRCHSNDX_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11950927;CHEMBL361724,CCCc1c2cc(C)n(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,KUWVUYBRCHSNDX,KUWVUYBRCHSNDX-UHFFFAOYSA-N,"InChI=1S/C28H37N5O2/c1-6-9-23-24-18-20(2)33(19-28(3,4)5)25(24)14-15-26(23)35-17-8-7-16-34-22-12-10-21(11-13-22)27-29-31-32-30-27/h10-15,18H,6-9,16-17,19H2,1-5H3,(H,29,30,31,32)","""AuxInfo=1/1/N:1,8,12,13,14,2,22,21,3,27,34,26,35,16,17,23,20,6,10,7,28,25,4,5,15,18,29,11,30,33,31,32,9,24,19/E:(3,4,5)(10,11)(12,13)(29,30)(31,32)/rA:35CCCCCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;s10;s11;s11;s11;s5s9;d15;s16;s4d17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;d29;s30;s31;s29d32;s28;s25d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:16005222,2005.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  6.253;  6.250,6.252000000000001,0.002,0.002,2.0,6.252000000000001,0.002
-KUXBAJOCTMNSJW_on_P18507_WT,Low,ChEMBL30,CHEMBL235405,CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,KUXBAJOCTMNSJW,KUXBAJOCTMNSJW-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,14,20,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KUXBAJOCTMNSJW_on_P28472_WT,High,ChEMBL30,CHEMBL235405,CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,KUXBAJOCTMNSJW,KUXBAJOCTMNSJW-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,14,20,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-KUXBAJOCTMNSJW_on_P47869_WT,Low,ChEMBL30,CHEMBL235405,CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,KUXBAJOCTMNSJW,KUXBAJOCTMNSJW-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,14,20,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KUXBAJOCTMNSJW_on_P47870_WT,Low,ChEMBL30,CHEMBL235405,CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,KUXBAJOCTMNSJW,KUXBAJOCTMNSJW-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,14,20,15,12,21,5,4,11,16,13,22,17,18,19,8,9,10/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KUXKEWMBABWJBM_on_P14867_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-KUXKEWMBABWJBM_on_P18507_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.520;  8.430;  7.620;  8.330,8.225,0.35600000000000004,0.205,4.0,8.38,0.095
-KUXKEWMBABWJBM_on_P28472_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.520;  7.620;  8.330;  8.430,8.225,0.35600000000000004,0.205,4.0,8.38,0.095
-KUXKEWMBABWJBM_on_P31644_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-KUXKEWMBABWJBM_on_P34903_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-KUXKEWMBABWJBM_on_P47869_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-KUXKEWMBABWJBM_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144795,C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,KUXKEWMBABWJBM,KUXKEWMBABWJBM-UHFFFAOYSA-N,"InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,25H,1-3H3","""AuxInfo=1/0/N:1,3,4,22,23,21,24,8,26,9,25,6,5,17,7,10,20,14,19,13,15,18,12,11,16,2/E:(1,2,3)(8,9)(10,11)/rA:26CSiCCCCCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;s2;s2;t5;s6;d7;s8;d9;s10;s11;d12;s13;s11d14;s15;s14;d17;s18;s13d19;s20;d21;s22;s19d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KUZLDKPQBCXMLJ_on_P14867_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-KUZLDKPQBCXMLJ_on_P18507_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.130;  8.380;  6.640;  7.280,7.357,0.636,0.36700000000000005,4.0,7.205,0.32
-KUZLDKPQBCXMLJ_on_P28472_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280;  7.130;  8.380;  6.640,7.357,0.636,0.36700000000000005,4.0,7.205,0.32
-KUZLDKPQBCXMLJ_on_P31644_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-KUZLDKPQBCXMLJ_on_P34903_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-KUZLDKPQBCXMLJ_on_P47869_WT,Low,ChEMBL30,CHEMBL178830,COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,KUZLDKPQBCXMLJ,KUZLDKPQBCXMLJ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-11-9-17(10-12-19)22-26-27-23-20-15-5-7-16(8-6-15)21(20)24(28-29(22)23)31-14-18-4-2-3-13-25-18/h2-4,9-13,15-16H,5-8,14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,28,25,29,5,30,4,31,18,15,27,24,6,16,3,11,12,7,10,13,17,8,9,22,23,2,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31COCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s7s10s22;s12;s24;s25;s11s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-KVAJEBVYHXCKAG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3929112,Cc1cc(Nc2c3ncccc3n[nH]2)ccc1F,KVAJEBVYHXCKAG,KVAJEBVYHXCKAG-UHFFFAOYSA-N,"InChI=1S/C13H11FN4/c1-8-7-9(4-5-10(8)14)16-13-12-11(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,10,11,15,16,9,3,2,4,17,12,7,6,18,8,5,13,14/rA:18CCCCNCCNCCCCNNCCCF/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-KVAVDXIKDLLDAN_on_P41594_WT,High,ChEMBL30,CHEMBL186835,N#Cc1cccc(-n2ncc(-c3ncccc3)n2)c1,KVAVDXIKDLLDAN,KVAVDXIKDLLDAN-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)19-17-10-14(18-19)13-6-1-2-7-16-13/h1-8,10H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,19,2,10,3,7,12,11,1,13,9,18,8/rA:19NCCCCCCNNCCCNCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-KVDCZEYNDGNPSV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113737,Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)c1,KVDCZEYNDGNPSV,KVDCZEYNDGNPSV-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O3/c1-13-8-16(4-5-20(13)31-23(24)25)22-27-21(17-9-14(2)26-18(10-17)12-29)19-6-7-30-15(3)11-28(19)22/h4-5,8-10,15,23,29H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:28,1,15,20,21,11,12,29,31,7,16,5,27,2,14,19,8,4,10,22,9,18,24,25,26,3,30,17,6,13,23/E:(24,25)/rA:31CCNCCOCCCCCCOCCCNCCCCCOCFFCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s22;s27;s19d27;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-KVKWRJDNIJTMGN_on_O00591_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_O14764_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P14867_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P18505_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P18507_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P28472_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P31644_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P34903_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P47869_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P47870_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P48169_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_P78334_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_Q16445_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKWRJDNIJTMGN_on_Q99928_WT,Low,ChEMBL30,CHEMBL79037,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,KVKWRJDNIJTMGN,KVKWRJDNIJTMGN-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-4,9-10,12-13,15,23-24H,5-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/E:(5,6)(7,8)/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-KVKYGVOAHGNAKZ_on_O00591_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.550;  8.480;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_O14764_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL444050;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654254;CHEMBL654251;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.480;  8.740;  8.550,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P14867_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL444050;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.550;  8.740;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P18505_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654254;CHEMBL654251;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.480;  8.550;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P18507_WT,Low,ChEMBL30,CHEMBL444050;CHEMBL75642;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.740;  8.550;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P28472_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.550;  8.480;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P31644_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.550;  8.480;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P34903_WT,Low,ChEMBL30,CHEMBL444050;CHEMBL75642;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.740;  8.550;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P47869_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL444050;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.550;  8.740;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P47870_WT,Low,ChEMBL30,CHEMBL444050;CHEMBL75642;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.740;  8.480;  8.550,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P48169_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654254;CHEMBL654251;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.480;  8.550;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_P78334_WT,Low,ChEMBL30,CHEMBL444050;CHEMBL75642;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.740;  8.480;  8.550,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL75642;CHEMBL444050,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251;CHEMBL654254;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.550;  8.480;  8.740,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL444050;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.550;  8.740;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL444050;CHEMBL75642;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251;CHEMBL654251;CHEMBL654254,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  8.740;  8.550;  8.480,8.59,0.11,0.078,3.0,8.55,0.07
-KVKYGVOAHGNAKZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL75642;CHEMBL444050;CHEMBL75642,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2,KVKYGVOAHGNAKZ,KVKYGVOAHGNAKZ-UHFFFAOYSA-N,"InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,3,19,7,13,21,9,16,20,8,6,14,12,11,18,25,22,10,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654254;CHEMBL654251;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.480;  8.740;  8.550,8.59,0.11,0.078,3.0,8.55,0.07
-KVLRITFLJDEPBH_on_O00591_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_O14764_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P14867_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P18505_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P18507_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P28472_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P31644_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P34903_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P47869_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P47870_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P48169_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_P78334_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_Q16445_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVLRITFLJDEPBH_on_Q99928_WT,Low,ChEMBL30,CHEMBL67772,CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1,KVLRITFLJDEPBH,KVLRITFLJDEPBH-UHFFFAOYSA-N,"InChI=1S/C15H11NO3/c1-2-19-15(18)13-7-11-9-5-3-4-6-10(9)14(17)12(11)8-16-13/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,16,14,17,19,8,13,12,18,9,6,10,4,7,11,5,3/rA:19CCOCOCNCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s10;d12;s13;d14;s15;s12d16;s9s13;s6d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.590,4.59,0.0,0.0,1.0,4.59,0.0
-KVMKDFFHDINSSZ_on_P14867_WT,Low,ChEMBL30,CHEMBL204189,Oc1nsc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1,KVMKDFFHDINSSZ,KVMKDFFHDINSSZ-UHFFFAOYSA-N,"InChI=1S/C22H24N2OS/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,23H,11-15H2,(H,24,25)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,7,11,8,10,13,15,21,6,14,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)/rA:26OCNSCCCCNCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.140;  6.140,6.14,0.0,0.0,2.0,6.14,0.0
-KVMKDFFHDINSSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL204189,Oc1nsc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1,KVMKDFFHDINSSZ,KVMKDFFHDINSSZ-UHFFFAOYSA-N,"InChI=1S/C22H24N2OS/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,23H,11-15H2,(H,24,25)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,7,11,8,10,13,15,21,6,14,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)/rA:26OCNSCCCCNCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.140;  6.140,6.14,0.0,0.0,2.0,6.14,0.0
-KVMKDFFHDINSSZ_on_P28472_WT,Low,ChEMBL30,CHEMBL204189,Oc1nsc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1,KVMKDFFHDINSSZ,KVMKDFFHDINSSZ-UHFFFAOYSA-N,"InChI=1S/C22H24N2OS/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,23H,11-15H2,(H,24,25)","""AuxInfo=1/1/N:18,24,17,19,23,25,16,20,22,26,7,11,8,10,13,15,21,6,14,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)/rA:26OCNSCCCCNCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.140;  6.140,6.14,0.0,0.0,2.0,6.14,0.0
-KVODCDLUQSNOCC_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771685,Cc1cc(-c2noc(C3CCCCN3C(=O)c3cccs3)n2)ccc1,KVODCDLUQSNOCC,KVODCDLUQSNOCC-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3","""AuxInfo=1/0/N:1,11,12,24,19,25,23,10,18,13,20,3,2,4,9,17,5,8,15,22,6,14,16,7,21/rA:25CCCCCNOCCCCCCNCOCCCCSNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;d17;s18;d19;s17s20;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-KVQKVRWATUWLAO_on_P14867_WT,Low,ChEMBL30,CHEMBL203211,Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KVQKVRWATUWLAO,KVQKVRWATUWLAO-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,3,4,18,22,20,23,7,19,16,13,12,10,6,25,26,17,11,21,24,2,5,27/rA:27CNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-KVQKVRWATUWLAO_on_P18507_WT,Low,ChEMBL30,CHEMBL203211,Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KVQKVRWATUWLAO,KVQKVRWATUWLAO-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,3,4,18,22,20,23,7,19,16,13,12,10,6,25,26,17,11,21,24,2,5,27/rA:27CNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869459;CHEMBL869461;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.150;  9.410;  8.720,9.093,0.285,0.201,3.0,9.15,0.26
-KVQKVRWATUWLAO_on_P28472_WT,Low,ChEMBL30,CHEMBL203211,Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KVQKVRWATUWLAO,KVQKVRWATUWLAO-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,3,4,18,22,20,23,7,19,16,13,12,10,6,25,26,17,11,21,24,2,5,27/rA:27CNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869460;CHEMBL869459;CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.720;  9.150;  9.410,9.093,0.285,0.201,3.0,9.15,0.26
-KVQKVRWATUWLAO_on_P31644_WT,Low,ChEMBL30,CHEMBL203211,Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KVQKVRWATUWLAO,KVQKVRWATUWLAO-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,3,4,18,22,20,23,7,19,16,13,12,10,6,25,26,17,11,21,24,2,5,27/rA:27CNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-KVQKVRWATUWLAO_on_P34903_WT,Low,ChEMBL30,CHEMBL203211,Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,KVQKVRWATUWLAO,KVQKVRWATUWLAO-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3","""AuxInfo=1/0/N:1,8,15,14,9,3,4,18,22,20,23,7,19,16,13,12,10,6,25,26,17,11,21,24,2,5,27/rA:27CNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-KVQNWGDWJITRQV_on_P14867_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.740,9.74,0.0,0.0,1.0,9.74,0.0
-KVQNWGDWJITRQV_on_P18507_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL683045;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.600;  8.890;  9.680;  7.400;  9.740,9.062000000000001,0.8859999999999999,0.44299999999999995,5.0,9.6,0.14
-KVQNWGDWJITRQV_on_P28472_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL683045;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.890;  9.680;  7.400;  9.600;  9.740,9.062000000000001,0.8859999999999999,0.44299999999999995,5.0,9.6,0.14
-KVQNWGDWJITRQV_on_P31644_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-KVQNWGDWJITRQV_on_P34903_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.600,9.6,0.0,0.0,1.0,9.6,0.0
-KVQNWGDWJITRQV_on_P47869_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.680,9.68,0.0,0.0,1.0,9.68,0.0
-KVQNWGDWJITRQV_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144698,Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1,KVQNWGDWJITRQV,KVQNWGDWJITRQV-UHFFFAOYSA-N,"InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,21H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-KVQODEJTLJVMEH_on_P18507_WT,Low,ChEMBL30,CHEMBL197683,N#Cc1cccc(-c2cc(-c3cc(F)ccc3)nnc2)c1,KVQODEJTLJVMEH,KVQODEJTLJVMEH-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-2-5-14(8-16)17-9-15(11-20-21-17)13-4-1-3-12(7-13)10-19/h1-9,11H","""AuxInfo=1/0/N:5,16,4,6,17,15,21,12,9,2,20,3,7,11,8,13,10,14,1,19,18/rA:21NCCCCCCCCCCCCFCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.400;  8.140,8.27,0.13,0.13,2.0,8.27,0.13
-KVQODEJTLJVMEH_on_P28472_WT,Low,ChEMBL30,CHEMBL197683,N#Cc1cccc(-c2cc(-c3cc(F)ccc3)nnc2)c1,KVQODEJTLJVMEH,KVQODEJTLJVMEH-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-2-5-14(8-16)17-9-15(11-20-21-17)13-4-1-3-12(7-13)10-19/h1-9,11H","""AuxInfo=1/0/N:5,16,4,6,17,15,21,12,9,2,20,3,7,11,8,13,10,14,1,19,18/rA:21NCCCCCCCCCCCCFCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140;  8.400,8.27,0.13,0.13,2.0,8.27,0.13
-KVQODEJTLJVMEH_on_P31644_WT,Low,ChEMBL30,CHEMBL197683,N#Cc1cccc(-c2cc(-c3cc(F)ccc3)nnc2)c1,KVQODEJTLJVMEH,KVQODEJTLJVMEH-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-2-5-14(8-16)17-9-15(11-20-21-17)13-4-1-3-12(7-13)10-19/h1-9,11H","""AuxInfo=1/0/N:5,16,4,6,17,15,21,12,9,2,20,3,7,11,8,13,10,14,1,19,18/rA:21NCCCCCCCCCCCCFCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-KVQODEJTLJVMEH_on_P34903_WT,Low,ChEMBL30,CHEMBL197683,N#Cc1cccc(-c2cc(-c3cc(F)ccc3)nnc2)c1,KVQODEJTLJVMEH,KVQODEJTLJVMEH-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-16-6-2-5-14(8-16)17-9-15(11-20-21-17)13-4-1-3-12(7-13)10-19/h1-9,11H","""AuxInfo=1/0/N:5,16,4,6,17,15,21,12,9,2,20,3,7,11,8,13,10,14,1,19,18/rA:21NCCCCCCCCCCCCFCCCNNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s11d16;d10;s18;s8d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-KVQODWLYXGVVMM_on_O15399_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-KVQODWLYXGVVMM_on_O60391_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-KVQODWLYXGVVMM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-KVQODWLYXGVVMM_on_Q05586_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.540;  6.860,7.2,0.34,0.34,2.0,7.2,0.34
-KVQODWLYXGVVMM_on_Q12879_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-KVQODWLYXGVVMM_on_Q13224_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.540;  6.860,7.2,0.34,0.34,2.0,7.2,0.34
-KVQODWLYXGVVMM_on_Q14957_WT,Low,ChEMBL30,CHEMBL182369,O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1,KVQODWLYXGVVMM,KVQODWLYXGVVMM-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:21,20,22,19,23,26,27,15,24,14,25,17,6,28,18,16,5,7,4,9,11,2,8,3,13,10,12,1,29/E:(2,3)(4,5)(8,9)(10,11)/rA:29OCNCCCCNCOCONCCCCCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s7;s4d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-KVTRKSLNWMZSSN_on_P14867_WT,Low,ChEMBL30,CHEMBL204390,FC(F)(F)c1nc2ncc(-c3nc(Cl)ncc3)n2cc1,KVTRKSLNWMZSSN,KVTRKSLNWMZSSN-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-16-3-1-6(18-9)7-5-17-10-19-8(11(13,14)15)2-4-20(7)10/h1-5H","""AuxInfo=1/0/N:17,20,16,19,9,11,10,5,13,7,2,14,1,3,4,15,8,12,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCClNCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-KVTRKSLNWMZSSN_on_P18507_WT,Low,ChEMBL30,CHEMBL204390,FC(F)(F)c1nc2ncc(-c3nc(Cl)ncc3)n2cc1,KVTRKSLNWMZSSN,KVTRKSLNWMZSSN-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-16-3-1-6(18-9)7-5-17-10-19-8(11(13,14)15)2-4-20(7)10/h1-5H","""AuxInfo=1/0/N:17,20,16,19,9,11,10,5,13,7,2,14,1,3,4,15,8,12,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCClNCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.700;  9.030,8.865,0.165,0.165,2.0,8.865,0.165
-KVTRKSLNWMZSSN_on_P28472_WT,Low,ChEMBL30,CHEMBL204390,FC(F)(F)c1nc2ncc(-c3nc(Cl)ncc3)n2cc1,KVTRKSLNWMZSSN,KVTRKSLNWMZSSN-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-16-3-1-6(18-9)7-5-17-10-19-8(11(13,14)15)2-4-20(7)10/h1-5H","""AuxInfo=1/0/N:17,20,16,19,9,11,10,5,13,7,2,14,1,3,4,15,8,12,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCClNCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.030;  8.700,8.865,0.165,0.165,2.0,8.865,0.165
-KVTRKSLNWMZSSN_on_P34903_WT,Low,ChEMBL30,CHEMBL204390,FC(F)(F)c1nc2ncc(-c3nc(Cl)ncc3)n2cc1,KVTRKSLNWMZSSN,KVTRKSLNWMZSSN-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-16-3-1-6(18-9)7-5-17-10-19-8(11(13,14)15)2-4-20(7)10/h1-5H","""AuxInfo=1/0/N:17,20,16,19,9,11,10,5,13,7,2,14,1,3,4,15,8,12,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCClNCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d13;s15;s11d16;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-KVTYWLATLSZWKO_on_Q05586_WT,Low,ChEMBL30,CHEMBL65119,Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,KVTYWLATLSZWKO,KVTYWLATLSZWKO-UHFFFAOYSA-N,"InChI=1S/C20H17N3O/c21-15-8-11-18-19(13-15)23-20(22-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13H,12,21H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,17,21,12,23,7,13,22,6,10,3,11,2,16,14,5,4,9,1,8,24,15/E:(2,3)(4,5)(6,7)(9,10)/rA:24NCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.750;  7.110,6.93,0.18,0.18,2.0,6.93,0.18
-KVTYWLATLSZWKO_on_Q13224_WT,Low,ChEMBL30,CHEMBL65119,Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,KVTYWLATLSZWKO,KVTYWLATLSZWKO-UHFFFAOYSA-N,"InChI=1S/C20H17N3O/c21-15-8-11-18-19(13-15)23-20(22-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13H,12,21H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,17,21,12,23,7,13,22,6,10,3,11,2,16,14,5,4,9,1,8,24,15/E:(2,3)(4,5)(6,7)(9,10)/rA:24NCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.750;  7.110,6.93,0.18,0.18,2.0,6.93,0.18
-KVYXXOVKGUBPFL_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3970896,Cc1cccc(Nc2c3ncccc3n[nH]2)c1,KVYXXOVKGUBPFL,KVYXXOVKGUBPFL-UHFFFAOYSA-N,"InChI=1S/C13H12N4/c1-9-4-2-5-10(8-9)15-13-12-11(16-17-13)6-3-7-14-12/h2-8H,1H3,(H2,15,16,17)","""AuxInfo=1/1/N:1,4,12,3,5,13,11,17,2,6,14,9,8,10,7,15,16/rA:17CCCCCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-KVZPLMIOPBGTSF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3935153,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F,KVZPLMIOPBGTSF,KVZPLMIOPBGTSF-UHFFFAOYSA-N,"InChI=1S/C25H21F5N4O3/c1-3-24(36,25(28,29)30)20-11-34(12-32-20)10-14-4-6-15-16(13-5-7-19(37-2)17(26)8-13)9-18(23(31)35)33-22(15)21(14)27/h4-9,11-12,36H,3,10H2,1-2H3,(H2,31,35)","""AuxInfo=1/1/N:1,19,2,10,15,11,16,22,23,8,6,32,14,9,12,13,20,24,17,5,30,29,25,3,34,21,31,35,36,37,26,33,28,7,27,4,18/E:(28,29,30)/rA:37CCCOCCNCCCCCCCCCCOCCFCCCCNONCCFCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s20;s14d20;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s30;s7;s5d32;s3;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-KVZVPZYFPDOIMI_on_O00591_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_O14764_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P14867_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P18505_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P18507_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P28472_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P31644_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P34903_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P47869_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P47870_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P48169_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_P78334_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_Q16445_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KVZVPZYFPDOIMI_on_Q99928_WT,Low,ChEMBL30,CHEMBL365218,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1,KVZVPZYFPDOIMI,KVZVPZYFPDOIMI-UHFFFAOYSA-N,"InChI=1S/C17H10Cl3F4N3S/c1-28-16-13(7-2-3-12(21)9(18)4-7)15(25)27(26-16)14-10(19)5-8(6-11(14)20)17(22,23)24/h2-6H,25H2,1H3","""AuxInfo=1/0/N:1,28,27,22,9,15,21,10,23,7,16,25,20,6,18,3,11,24,8,17,26,12,13,14,19,4,5,2/E:(5,6)(10,11)(19,20)(22,23,24)/rA:28CSCNNCCClCCCFFFCCClCNCCCCClCFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KWABXRJYGGENTG_on_O00222_WT,Low,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-KWABXRJYGGENTG_on_P41594_WT,Low,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-KWABXRJYGGENTG_on_Q13255_WT,Low,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-KWABXRJYGGENTG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-KWABXRJYGGENTG_on_Q14832_WT,Medium,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-KWABXRJYGGENTG_on_Q14833_WT,Low,ChEMBL30,CHEMBL304919,NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1,KWABXRJYGGENTG,KWABXRJYGGENTG-UHFFFAOYSA-N,"InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:17,23,16,18,22,24,15,19,21,25,6,12,26,14,20,13,7,8,3,2,1,11,9,10,4,5/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCOOCCCOONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s21;d22;s23;s20d24;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-KWBJTSIHFVATSO_on_P18507_WT,Low,ChEMBL30,CHEMBL380110,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1,KWBJTSIHFVATSO,KWBJTSIHFVATSO-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(15-7-4-8-28-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,29,8/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.960,9.96,0.0,0.0,1.0,9.96,0.0
-KWBJTSIHFVATSO_on_P28472_WT,Low,ChEMBL30,CHEMBL380110,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1,KWBJTSIHFVATSO,KWBJTSIHFVATSO-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(15-7-4-8-28-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,29,8/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.960,9.96,0.0,0.0,1.0,9.96,0.0
-KWBJTSIHFVATSO_on_P34903_WT,Low,ChEMBL30,CHEMBL380110,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1,KWBJTSIHFVATSO,KWBJTSIHFVATSO-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(15-7-4-8-28-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,29,8/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.960,9.96,0.0,0.0,1.0,9.96,0.0
-KWCDETUHFZCWEV_on_P18507_WT,Low,ChEMBL30,CHEMBL392617,CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl,KWCDETUHFZCWEV,KWCDETUHFZCWEV-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCClCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KWCDETUHFZCWEV_on_P47869_WT,Low,ChEMBL30,CHEMBL392617,CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl,KWCDETUHFZCWEV,KWCDETUHFZCWEV-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCClCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KWCDETUHFZCWEV_on_P47870_WT,Low,ChEMBL30,CHEMBL392617,CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl,KWCDETUHFZCWEV,KWCDETUHFZCWEV-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-16-17-18(9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,16,6,14,5,11,17,10,15,12,18,7,8,9/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNNNCCClCCClCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s14;s10d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-KWEIZFBLOXENLW_on_Q14416_WT,High,ChEMBL30,CHEMBL181953,Cc1c(OCCCCOc2ncccc2)ccc(C(=O)CC(C)C)c1O,KWEIZFBLOXENLW,KWEIZFBLOXENLW-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,6,7,15,17,16,12,5,8,21,22,2,18,19,3,10,25,11,20,26,4,9/E:(1,2)/rA:26CCCOCCCCOCNCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s3;d16;s17;s18;d19;s19;s21;s22;s22;s2d18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  5.490,5.49,0.0,0.0,1.0,5.49,0.0
-KWHMITCHZJXBHH_on_P14867_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-KWHMITCHZJXBHH_on_P18507_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.770;  8.140;  6.570;  6.550,7.007999999999999,0.659,0.381,4.0,6.67,0.11
-KWHMITCHZJXBHH_on_P28472_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.570;  6.550;  8.140;  6.770,7.007999999999999,0.659,0.381,4.0,6.67,0.11
-KWHMITCHZJXBHH_on_P31644_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-KWHMITCHZJXBHH_on_P34903_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-KWHMITCHZJXBHH_on_P47869_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-KWHMITCHZJXBHH_on_Q16445_WT,Low,ChEMBL30,CHEMBL10597,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1,KWHMITCHZJXBHH,KWHMITCHZJXBHH-UHFFFAOYSA-N,"InChI=1S/C21H18N2O3/c1-2-25-21(24)19-11-17-16-10-15(26-13-14-6-4-3-5-7-14)8-9-18(16)23-20(17)12-22-19/h3-12,23H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,23,24,13,26,8,16,17,14,12,25,11,6,9,4,7,10,5,3,15/E:(4,5)(6,7)/rA:26CCOCOCNCCNCCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KWHWSXISOMCUPZ_on_O00591_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_O14764_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_P14867_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329;CHEMBL1273615;CHEMBL650075,PMID:9435905,1997.0,PMID:9651158;PMID:10633039;PMID:20888240;PMID:9435905,1998;2000;2010;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  7.600;  7.600;  7.600;  7.030,7.457000000000001,0.247,0.142,4.0,7.6,0.0
-KWHWSXISOMCUPZ_on_P18505_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL1273617;CHEMBL1273619;CHEMBL1273616;CHEMBL822162;CHEMBL824294;CHEMBL823761;CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL682251;CHEMBL685337;CHEMBL1273620;CHEMBL1273615,PMID:9435905,1997.0,PMID:9435905;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:20888240;PMID:20888240,1997;2010;2010;2010;1998;1998;1998;2000;2000;2000;2000;1998;2010;2010,1;0;0;0;0;0;0;0;0;0;0;0;0;0,0,0,0;1;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  7.030;  6.860;  6.000;  6.910;  7.600;  6.910;  6.860;  7.600;  6.910;  6.000;  6.860;  6.000;  5.000;  7.600,6.724,0.7120000000000001,0.198,14.0,6.885,0.43
-KWHWSXISOMCUPZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273615;CHEMBL1273620;CHEMBL685337;CHEMBL823761;CHEMBL650075;CHEMBL824294;CHEMBL678329;CHEMBL682251;CHEMBL1273616;CHEMBL822162;CHEMBL681480;CHEMBL681248,PMID:9435905,1997.0,PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9651158;PMID:9651158;PMID:9435905;PMID:9651158;PMID:10633039;PMID:10633039;PMID:20888240;PMID:9651158;PMID:10633039;PMID:10633039,2010;2010;2010;2010;1998;1998;1997;1998;2000;2000;2010;1998;2000;2000,0;0;0;0;0;0;1;0;0;0;0;0;0;0,0,0,1;1;1;1;1;1;0;1;1;1;1;1;1;1,0,,=,  6.000;  6.860;  7.600;  5.000;  6.000;  6.860;  7.030;  6.910;  7.600;  6.860;  6.910;  7.600;  6.000;  6.910,6.724,0.7120000000000001,0.198,14.0,6.885,0.43
-KWHWSXISOMCUPZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075;CHEMBL685337;CHEMBL681480;CHEMBL1273619,PMID:9435905,1997.0,PMID:9435905;PMID:9651158;PMID:10633039;PMID:20888240,1997;1998;2000;2010,1;0;0;0,0,0,0;1;1;1,0,,=,  7.030;  6.000;  6.000;  6.000,6.257999999999999,0.446,0.258,4.0,6.0,0.0
-KWHWSXISOMCUPZ_on_P34903_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823761;CHEMBL650075;CHEMBL1273617,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:9435905;PMID:20888240,2000;1998;1997;2010,0;0;1;0,0,0,1;1;0;1,0,,=,  6.860;  6.860;  7.030;  6.860,6.902,0.07400000000000001,0.042,4.0,6.86,0.0
-KWHWSXISOMCUPZ_on_P47869_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294;CHEMBL650075;CHEMBL1273616,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:9435905;PMID:20888240,2000;1998;1997;2010,0;0;1;0,0,0,1;1;0;1,0,,=,  6.910;  6.910;  7.030;  6.910,6.94,0.052000000000000005,0.03,4.0,6.91,0.0
-KWHWSXISOMCUPZ_on_P47870_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_P48169_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_P78334_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHWSXISOMCUPZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  5.000;  7.030,6.015,1.015,1.015,2.0,6.015,1.015
-KWHWSXISOMCUPZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL1269093,CC(C)COc1cc2c(cn1)[nH]c1c2cccc1,KWHWSXISOMCUPZ,KWHWSXISOMCUPZ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,7,10,4,2,14,8,13,9,6,11,12,5/E:(1,2)/rA:18CCCCOCCCCCNNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-KWHZAURFDIUNMU_on_P41594_WT,High,ChEMBL30,CHEMBL2365000,CC(C)c1nc(-c2c(NC(=O)C3CC3)snc2-c2cc3cn(C)nc3cc2)ccc1,KWHZAURFDIUNMU,KWHZAURFDIUNMU-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-13(2)17-5-4-6-19(24-17)20-21(27-30-23(20)25-22(29)14-7-8-14)15-9-10-18-16(11-15)12-28(3)26-18/h4-6,9-14H,7-8H2,1-3H3,(H,25,29)","""AuxInfo=1/1/N:1,3,23,29,30,28,13,14,27,26,19,21,2,12,18,20,4,25,6,7,17,10,8,5,9,24,16,22,11,15/E:(1,2)(7,8)/rA:30CCCCNCCCNCOCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s8;s15;s7d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d6;s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-KWHZAURFDIUNMU_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67424363;CHEMBL2365000,CC(C)c1nc(-c2c(NC(=O)C3CC3)snc2-c2cc3cn(C)nc3cc2)ccc1,KWHZAURFDIUNMU,KWHZAURFDIUNMU-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-13(2)17-5-4-6-19(24-17)20-21(27-30-23(20)25-22(29)14-7-8-14)15-9-10-18-16(11-15)12-28(3)26-18/h4-6,9-14H,7-8H2,1-3H3,(H,25,29)","""AuxInfo=1/1/N:1,3,23,29,30,28,13,14,27,26,19,21,2,12,18,20,4,25,6,7,17,10,8,5,9,24,16,22,11,15/E:(1,2)(7,8)/rA:30CCCCNCCCNCOCCCSNCCCCCNCNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s8;s15;s7d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d6;s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  6.401;  6.400,6.401,0.0,0.0,2.0,6.401,0.0
-KWJSSCKJCBWHFU_on_O15399_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_O60391_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWJSSCKJCBWHFU_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365643,N=C(N)NN=Cc1cccnc1,KWJSSCKJCBWHFU,KWJSSCKJCBWHFU-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-2-1-3-10-4-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:9,8,10,12,6,7,2,1,3,11,5,4/E:(8,9)/rA:12NCNNNCCCCCNC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.170,3.17,0.0,0.0,1.0,3.17,0.0
-KWOJSIXMUONPOC_on_O00591_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_O14764_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P14867_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P18505_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P18507_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P28472_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P31644_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P34903_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P47869_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P47870_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P48169_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_P78334_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_Q16445_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWOJSIXMUONPOC_on_Q99928_WT,Low,ChEMBL30,CHEMBL58666,COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C,KWOJSIXMUONPOC,KWOJSIXMUONPOC-UHFFFAOYSA-N,"InChI=1S/C15H18N3O3P/c1-9-14(22(19,20-3)21-4)13(16)12-10-7-5-6-8-11(10)18(2)15(12)17-9/h5-8H,1-4H3,(H2,16,17)","""AuxInfo=1/1/N:9,22,1,6,19,18,20,17,8,15,16,12,13,7,11,14,10,21,4,2,5,3/E:(3,4)(20,21)/rA:22COPOOCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;s5;s3;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KWPOKTUWXDCATM_on_O00591_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_O14764_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P14867_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P18505_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P18507_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P28472_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P31644_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P34903_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P47869_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P47870_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P48169_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_P78334_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_Q16445_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWPOKTUWXDCATM_on_Q99928_WT,Low,ChEMBL30,CHEMBL78768,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2,KWPOKTUWXDCATM,KWPOKTUWXDCATM-UHFFFAOYSA-N,"InChI=1S/C21H20N6/c1-26-6-2-3-16(26)8-15-12-23-19-5-4-17(9-18(15)19)27-13-25-20-7-14(10-22)11-24-21(20)27/h4-5,7,9,11-13,16,23H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,4,5,26,27,3,19,7,13,21,23,9,16,20,8,6,14,12,11,18,25,22,10,24,17,2,15/rA:27CNCCCCCCCNCCCCNCNCCCCNCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KWQXKZMQOPIHFN_on_Q05586_WT,Medium,ChEMBL30,CHEMBL424524,CC(C)C1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12,KWQXKZMQOPIHFN,KWQXKZMQOPIHFN-UHFFFAOYSA-N,"InChI=1S/C22H19Cl2N3O4/c1-11(2)19-20(28)27(13-6-4-3-5-7-13)22(31)26(19)10-14-17-15(24)8-12(23)9-16(17)25-18(14)21(29)30/h3-9,11,19,25H,10H2,1-2H3,(H,29,30)","""AuxInfo=1/1/N:1,3,11,10,12,9,13,28,25,17,2,26,8,18,29,24,31,19,4,5,20,14,27,30,23,16,7,6,21,22,15/E:(1,2)(4,5)(6,7)(29,30)/rA:31CCCCCONCCCCCCCONCCCCOONCCCClCCClC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s7;d14;s4s14;s16;s17;d18;s19;d20;s20;s19;s23;d24;s25;s26;d26;s28;s29;s18s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-KWWIRYRJWPPZAG_on_Q13255_WT,High,ChEMBL30,CHEMBL3634426,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(C(F)(F)F)c2)occ1,KWWIRYRJWPPZAG,KWWIRYRJWPPZAG-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-12-6-7-16(15(10-12)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,30,29,27,2,7,15,14,22,10,3,4,20,12,23,24,25,26,6,11,5,21,13,28/E:(2,3)(4,5)(13,14)(19,20)(22,23,24)(28,29)/rA:30CCCCONCCCCNCOCCCCCCCOCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s23;s23;s23;s7d22;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  6.910;  6.910,6.91,0.0,0.0,2.0,6.91,0.0
-KWWIRYRJWPPZAG_on_Q14833_WT,High,ChEMBL30,CHEMBL3634426,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(C(F)(F)F)c2)occ1,KWWIRYRJWPPZAG,KWWIRYRJWPPZAG-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-12-6-7-16(15(10-12)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,30,29,27,2,7,15,14,22,10,3,4,20,12,23,24,25,26,6,11,5,21,13,28/E:(2,3)(4,5)(13,14)(19,20)(22,23,24)(28,29)/rA:30CCCCONCCCCNCOCCCCCCCOCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s23;s23;s23;s7d22;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-KWZFUKSTRXYXTQ_on_P18507_WT,Low,ChEMBL30,CHEMBL208794,Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F,KWZFUKSTRXYXTQ,KWZFUKSTRXYXTQ-UHFFFAOYSA-N,"InChI=1S/C18H16FN7O/c1-25-15(20-10-22-25)9-27-18-16(12-4-2-3-5-13(12)19)14-8-21-23-17(11-6-7-11)26(14)24-18/h2-5,8,10-11H,6-7,9H2,1H3","""AuxInfo=1/0/N:1,23,24,22,25,14,15,18,7,4,13,21,26,19,6,20,12,9,27,5,17,3,16,10,2,11,8/E:(6,7)/rA:27CNNCNCCOCNNCCCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;d17;s11s18;s9d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-KWZFUKSTRXYXTQ_on_P28472_WT,Low,ChEMBL30,CHEMBL208794,Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F,KWZFUKSTRXYXTQ,KWZFUKSTRXYXTQ-UHFFFAOYSA-N,"InChI=1S/C18H16FN7O/c1-25-15(20-10-22-25)9-27-18-16(12-4-2-3-5-13(12)19)14-8-21-23-17(11-6-7-11)26(14)24-18/h2-5,8,10-11H,6-7,9H2,1H3","""AuxInfo=1/0/N:1,23,24,22,25,14,15,18,7,4,13,21,26,19,6,20,12,9,27,5,17,3,16,10,2,11,8/E:(6,7)/rA:27CNNCNCCOCNNCCCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;d17;s11s18;s9d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-KWZFUKSTRXYXTQ_on_P34903_WT,Low,ChEMBL30,CHEMBL208794,Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F,KWZFUKSTRXYXTQ,KWZFUKSTRXYXTQ-UHFFFAOYSA-N,"InChI=1S/C18H16FN7O/c1-25-15(20-10-22-25)9-27-18-16(12-4-2-3-5-13(12)19)14-8-21-23-17(11-6-7-11)26(14)24-18/h2-5,8,10-11H,6-7,9H2,1H3","""AuxInfo=1/0/N:1,23,24,22,25,14,15,18,7,4,13,21,26,19,6,20,12,9,27,5,17,3,16,10,2,11,8/E:(6,7)/rA:27CNNCNCCOCNNCCCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;d17;s11s18;s9d19;s20;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-KXDNFDRKJLVHTK_on_Q14416_WT,High,ChEMBL30,CHEMBL3804845,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3c1ncccn1)cc2,KXDNFDRKJLVHTK,KXDNFDRKJLVHTK-UHFFFAOYSA-N,"InChI=1S/C22H29N7O/c1-22(2,3)14-29-17-8-9-18(25-19(17)26(4)21(29)30)27-12-16-7-6-15(27)13-28(16)20-23-10-5-11-24-20/h5,8-11,15-16H,6-7,12-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,26,19,18,30,29,25,27,16,21,6,20,17,11,14,12,23,3,7,24,28,13,2,15,22,5,4/E:(1,2,3)(10,11)(23,24)/rA:30CNCONCCCCCCCNCNCCCCCCNCNCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s24;d25;s26;s23d27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-KXEPELZEWQYLKO_on_P41594_WT,Medium,ChEMBL30,CHEMBL92162,NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)C1CC(C(=O)O)C1,KXEPELZEWQYLKO,KXEPELZEWQYLKO-UHFFFAOYSA-N,"InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,27,3,23,21,5,13,4,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)(23,24)(25,26)/rA:27NCCCCCCCCCSCCCCCCCOOCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;d24;s24;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-KXEPELZEWQYLKO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL92162,NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)C1CC(C(=O)O)C1,KXEPELZEWQYLKO,KXEPELZEWQYLKO-UHFFFAOYSA-N,"InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,27,3,23,21,5,13,4,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)(23,24)(25,26)/rA:27NCCCCCCCCCSCCCCCCCOOCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s22;s23;d24;s24;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-KXFZDWKFZITKDN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3330808,Cc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1,KXFZDWKFZITKDN,KXFZDWKFZITKDN-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c1-13-7-9-15(10-8-13)21-12-20-17-16(11-23-18(17)19(21)22)14-5-3-2-4-6-14/h2-12H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,3,23,4,22,12,7,2,14,5,13,9,10,20,8,6,21,11/E:(3,4)(5,6)(7,8)(9,10)/rA:23CCCCCNCNCCSCCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PMID:25127154,2014.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-KXLYHSSJUUTFEL_on_P41594_WT,High,ChEMBL30,CHEMBL3639432,O=C1CN=C(n2cnc(CF)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,KXLYHSSJUUTFEL,KXLYHSSJUUTFEL-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O/c21-9-14-11-24(12-23-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-25(18)20(26)10-22-19/h1-3,8,11-13H,4-7,9-10H2","""AuxInfo=1/0/N:25,24,26,22,23,17,18,13,10,3,12,7,21,9,20,16,15,14,5,2,11,4,8,6,19,1/E:(4,5)/rA:26OCCNCNCNCCFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;s21;s21s22;d20;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-KXLYHSSJUUTFEL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3639432,O=C1CN=C(n2cnc(CF)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,KXLYHSSJUUTFEL,KXLYHSSJUUTFEL-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O/c21-9-14-11-24(12-23-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-25(18)20(26)10-22-19/h1-3,8,11-13H,4-7,9-10H2","""AuxInfo=1/0/N:25,24,26,22,23,17,18,13,10,3,12,7,21,9,20,16,15,14,5,2,11,4,8,6,19,1/E:(4,5)/rA:26OCCNCNCNCCFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;s21;s21s22;d20;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-KXSNJVOJRWHHBK_on_Q05586_WT,Low,ChEMBL30,CHEMBL159761,N=C(C=Cc1ccccc1)NCc1c(Cl)cccc1,KXSNJVOJRWHHBK,KXSNJVOJRWHHBK-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,18,17,6,10,19,16,4,3,12,5,13,14,2,15,1,11/E:(2,3)(6,7)/rA:19NCCCCCCCCCNCCCClCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;d16;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KXSNJVOJRWHHBK_on_Q13224_WT,Low,ChEMBL30,CHEMBL159761,N=C(C=Cc1ccccc1)NCc1c(Cl)cccc1,KXSNJVOJRWHHBK,KXSNJVOJRWHHBK-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,18,17,6,10,19,16,4,3,12,5,13,14,2,15,1,11/E:(2,3)(6,7)/rA:19NCCCCCCCCCNCCCClCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;d16;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-KXTRQQLWYCGLOI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3932566,Clc1cc(Nc2c3ncccc3n[nH]2)cnc1Cl,KXTRQQLWYCGLOI,KXTRQQLWYCGLOI-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2N5/c12-7-4-6(5-15-10(7)13)16-11-9-8(17-18-11)2-1-3-14-9/h1-5H,(H2,16,17,18)","""AuxInfo=1/1/N:10,11,9,3,15,4,2,12,7,17,6,1,18,8,16,5,13,14/rA:18ClCCCNCCNCCCCNNCNCCl/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-KXUHGWFVJOJSEM_on_P41594_WT,Medium,ChEMBL30,CHEMBL365884,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2conc2-c2ccccc2)c1,KXUHGWFVJOJSEM,KXUHGWFVJOJSEM-UHFFFAOYSA-N,InChI=1S/C21H13FN6O/c22-16-10-15(18-13-29-26-20(18)14-6-2-1-3-7-14)11-17(12-16)28-25-21(24-27-28)19-8-4-5-9-23-19/h1-13H,"""AuxInfo=1/0/N:26,25,27,13,12,24,28,14,11,29,16,3,19,23,17,2,4,18,9,22,8,1,10,7,15,21,6,5,20/E:(2,3)(6,7)/rA:29FCCCNNNCCNCCCCNCCCCONCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s20;s18d21;s22;d23;s24;d25;s26;s23d27;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-KXUOIKKMTQPTBE_on_O15399_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_O60391_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_Q05586_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_Q12879_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_Q13224_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXUOIKKMTQPTBE_on_Q14957_WT,Low,ChEMBL30,CHEMBL40745,CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2,KXUOIKKMTQPTBE,KXUOIKKMTQPTBE-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,10,3,11,9,8,4,14,16,12,13,18,5,15,17,6,7/E:(17,18)/CRV:14.5/rA:18CCCCN+OO-CCCCClNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-KXVWIKGCRKCOCI_on_Q14833_WT,High,ChEMBL30,CHEMBL2022870,Fc1cccc(-n2cc(-c3ccnc4c3cccc4)cn2)c1,KXVWIKGCRKCOCI,KXVWIKGCRKCOCI-UHFFFAOYSA-N,InChI=1S/C18H12FN3/c19-14-4-3-5-15(10-14)22-12-13(11-21-22)16-8-9-20-18-7-2-1-6-17(16)18/h1-12H,"""AuxInfo=1/0/N:17,18,4,3,5,16,19,11,12,22,20,8,9,2,6,10,15,14,1,13,21,7/rA:22FCCCCCNCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s10d14;s15;d16;s17;s14d18;s9;s7d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KXZXXPVILCJBSU_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094429,CC(=O)Nc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,KXZXXPVILCJBSU,KXZXXPVILCJBSU-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4/c1-13(21)19-14-6-5-9-16(10-14)23-12-17-11-20(18(22)24-17)15-7-3-2-4-8-15/h2-10,17H,11-12H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,16,15,17,23,24,14,18,22,6,11,9,2,5,13,7,10,19,4,12,3,20,8,21/E:(3,4)(7,8)/rA:24CCONCCCOCCCNCCCCCCCOOCCC/rB:s1;d2;s2;s4;d5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s10s19;d7;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-KYAAEHKCLYGUJO_on_P14867_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-KYAAEHKCLYGUJO_on_P18507_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL681480;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.470;  6.820;  6.760;  6.390,6.61,0.183,0.106,4.0,6.615,0.175
-KYAAEHKCLYGUJO_on_P28472_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.820;  6.390;  6.470;  6.760,6.61,0.183,0.106,4.0,6.615,0.175
-KYAAEHKCLYGUJO_on_P31644_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-KYAAEHKCLYGUJO_on_P34903_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-KYAAEHKCLYGUJO_on_P47869_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-KYAAEHKCLYGUJO_on_Q16445_WT,Low,ChEMBL30,CHEMBL368130,O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1,KYAAEHKCLYGUJO,KYAAEHKCLYGUJO-UHFFFAOYSA-N,"InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)","""AuxInfo=1/1/N:8,7,14,13,9,17,3,15,11,12,6,2,5,16,4,18,1,10/rA:18OCCNCCCCCSCCCCCFCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;d11;s12;d13;s14;s15;s11d15;s2s12;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-KYBILUOQSOYRDC_on_P41594_WT,High,ChEMBL30,CHEMBL3891160,N#Cc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]cc2-c1ccccc1,KYBILUOQSOYRDC,KYBILUOQSOYRDC-UHFFFAOYSA-N,"InChI=1S/C26H17N3/c27-16-21-23(19-12-6-2-7-13-19)24-22(18-10-4-1-5-11-18)17-28-26(24)29-25(21)20-14-8-3-9-15-20/h1-15,17H,(H,28,29)","""AuxInfo=1/1/N:27,8,18,26,28,7,9,17,19,25,29,6,10,16,20,2,22,24,5,15,3,23,4,11,14,12,1,21,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29NCCCCCCCCCCCNCCCCCCCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s3d13;s14;d15;s16;d17;s18;s15d19;s12;s21;s11d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-KYCVZLHIXRCVIA_on_P41594_WT,High,ChEMBL30,CHEMBL1258658,N#Cc1cccc(C(=O)N2CCc3c(C2)oc(-c2ncccc2)n3)c1,KYCVZLHIXRCVIA,KYCVZLHIXRCVIA-UHFFFAOYSA-N,"InChI=1S/C19H14N4O2/c20-11-13-4-3-5-14(10-13)19(24)23-9-7-15-17(12-23)25-18(22-15)16-6-1-2-8-21-16/h1-6,8,10H,7,9,12H2","""AuxInfo=1/0/N:22,21,5,4,6,23,12,20,11,25,2,15,3,7,13,18,14,17,8,1,19,24,10,9,16/rA:25NCCCCCCCONCCCCCOCCNCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s14;s16;s17;d18;s19;d20;s21;s18d22;s13d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-KYDURMHFWXCKMW_on_P14867_WT,High,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-KYDURMHFWXCKMW_on_P18507_WT,Low,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-KYDURMHFWXCKMW_on_P28472_WT,Low,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-KYDURMHFWXCKMW_on_P31644_WT,High,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-KYDURMHFWXCKMW_on_P34903_WT,High,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-KYDURMHFWXCKMW_on_P47869_WT,High,ChEMBL30,CHEMBL1783282,CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N,KYDURMHFWXCKMW,KYDURMHFWXCKMW-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,2,22,17,21,23,18,16,3,11,24,19,13,12,25,10,7,5,20,26,4,9,8,6,14/rA:26CCCNCOCNNCCCCOCCCCCFCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;s19;d11;s21;d22;s10s23;s7d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.510;  9.520,9.515,0.005,0.005,2.0,9.515,0.005
-KYEDMDDOBVPLHW_on_O15399_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-KYEDMDDOBVPLHW_on_O60391_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-KYEDMDDOBVPLHW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-KYEDMDDOBVPLHW_on_Q05586_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770;  7.750,7.76,0.01,0.01,2.0,7.76,0.01
-KYEDMDDOBVPLHW_on_Q12879_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-KYEDMDDOBVPLHW_on_Q13224_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.750;  7.770,7.76,0.01,0.01,2.0,7.76,0.01
-KYEDMDDOBVPLHW_on_Q14957_WT,Low,ChEMBL30,CHEMBL182951,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1,KYEDMDDOBVPLHW,KYEDMDDOBVPLHW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,30,4,29,21,20,8,28,9,27,6,17,25,2,5,7,16,19,18,23,13,11,15,22,10,24,14,12,26/E:(2,3)(4,5)(8,9)(10,11)/rA:30CCCCCCCCCNCOCONCCCCCCNCOCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s23;s18s25;s10;s7s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-KYFAZBYUDNHGIY_on_O00591_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_O14764_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P14867_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P18505_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P18507_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P28472_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P31644_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P34903_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P41594_WT,High,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  5.550;  5.250,5.4,0.15,0.15,2.0,5.4,0.15
-KYFAZBYUDNHGIY_on_P47869_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P47870_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P48169_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_P78334_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYFAZBYUDNHGIY_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410210,Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1,KYFAZBYUDNHGIY,KYFAZBYUDNHGIY-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,3,22,4,21,6,7,10,19,2,5,8,13,9,12,20,18,11/E:(6,7)(8,9)/rA:22CCCCCCCCCCOCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s18;s8d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-KYGSUBIAEPOSKM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3967727,CN1C(=O)COc2c1cc(Nc1c3ncccc3n[nH]1)cc2,KYGSUBIAEPOSKM,KYGSUBIAEPOSKM-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-20-11-7-9(4-5-12(11)22-8-13(20)21)17-15-14-10(18-19-15)3-2-6-16-14/h2-7H,8H2,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,16,17,21,22,15,9,5,10,18,8,7,3,13,12,14,11,19,20,2,4,6/rA:22CNCOCOCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s3;s5;s6;s2d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s13s17;d18;s12s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.090,5.09,0.0,0.0,1.0,5.09,0.0
-KYHPUGUHKOVFGX_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46853732;CHEMBL1921955,O=S1(=O)c2c(cccc2)S(=O)(=O)N1c1ccc(NCc2ccccn2)cc1,KYHPUGUHKOVFGX,KYHPUGUHKOVFGX-UHFFFAOYSA-N,"InChI=1S/C18H15N3O4S2/c22-26(23)17-6-1-2-7-18(17)27(24,25)21(26)16-10-8-14(9-11-16)20-13-15-5-3-4-12-19-15/h1-12,20H,13H2","""AuxInfo=1/0/N:7,8,22,23,21,6,9,16,26,15,27,24,19,17,20,14,5,4,25,18,13,11,12,1,3,10,2/E:(1,2)(6,7)(8,9)(10,11)(17,18)(22,23,24,25)(26,27)/CRV:26.6,27.6/rA:27OSOCCCCCCSOONCCCCNCCCCCCNCC/rB:d1;d2;s2;d4;s5;d6;s7;s4d8;s5;d10;d10;s2s10;s13;d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408;CHEMBL1924926,PMID:21966889,2011.0,PubChemAID:631408;PMID:21966889,2012;2011,0,0;1,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-KYHXMYPHFPFAIC_on_Q14416_WT,High,ChEMBL30,CHEMBL4101354,Cc1nc(C)c(Oc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1,KYHXMYPHFPFAIC,KYHXMYPHFPFAIC-UHFFFAOYSA-N,"InChI=1S/C24H20ClF3N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3","""AuxInfo=1/0/N:1,5,33,25,26,30,32,31,29,28,23,11,2,4,24,12,13,9,6,8,22,14,19,15,10,16,17,18,3,21,20,27,7/E:(4,5)(26,27,28)/rA:33CCNCCCOCCClCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s8d30;s6;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.820;  8.540;  8.140,8.5,0.27899999999999997,0.19699999999999998,3.0,8.54,0.28
-KYJSGWVPWUBKGL_on_P41594_WT,Medium,ChEMBL30,CHEMBL245406,Cc1nc(C#Cc2cnccc2)ccc1,KYJSGWVPWUBKGL,KYJSGWVPWUBKGL-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-4-2-6-13(15-11)8-7-12-5-3-9-14-10-12/h2-6,9-10H,1H3","""AuxInfo=1/0/N:1,14,11,15,12,13,6,5,10,8,2,7,4,9,3/rA:15CCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955;CHEMBL885956,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  8.000;  7.180,7.59,0.41,0.41,2.0,7.59,0.41
-KYKSBUKRCPZJCX_on_P14867_WT,Low,ChEMBL30,CHEMBL326560,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CCC2)cc1,KYKSBUKRCPZJCX,KYKSBUKRCPZJCX-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,24H,1-7H2","""AuxInfo=1/0/N:9,10,22,21,23,8,11,16,25,17,24,4,15,20,18,7,3,6,12,2,5,13,14,1,19/E:(4,5)(8,9)(10,11)/rA:25OCCCNCCCCCCCNNCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s21;s20s22;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-KYKSBUKRCPZJCX_on_P18507_WT,Low,ChEMBL30,CHEMBL326560,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CCC2)cc1,KYKSBUKRCPZJCX,KYKSBUKRCPZJCX-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,24H,1-7H2","""AuxInfo=1/0/N:9,10,22,21,23,8,11,16,25,17,24,4,15,20,18,7,3,6,12,2,5,13,14,1,19/E:(4,5)(8,9)(10,11)/rA:25OCCCNCCCCCCCNNCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s21;s20s22;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.890;  8.590,8.74,0.15,0.15,2.0,8.74,0.15
-KYKSBUKRCPZJCX_on_P28472_WT,Low,ChEMBL30,CHEMBL326560,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CCC2)cc1,KYKSBUKRCPZJCX,KYKSBUKRCPZJCX-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,24H,1-7H2","""AuxInfo=1/0/N:9,10,22,21,23,8,11,16,25,17,24,4,15,20,18,7,3,6,12,2,5,13,14,1,19/E:(4,5)(8,9)(10,11)/rA:25OCCCNCCCCCCCNNCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s21;s20s22;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.890;  8.590,8.74,0.15,0.15,2.0,8.74,0.15
-KYKSBUKRCPZJCX_on_P34903_WT,Low,ChEMBL30,CHEMBL326560,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CCC2)cc1,KYKSBUKRCPZJCX,KYKSBUKRCPZJCX-UHFFFAOYSA-N,"InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,24H,1-7H2","""AuxInfo=1/0/N:9,10,22,21,23,8,11,16,25,17,24,4,15,20,18,7,3,6,12,2,5,13,14,1,19/E:(4,5)(8,9)(10,11)/rA:25OCCCNCCCCCCCNNCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s21;s20s22;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-KYMRUCZMRSMLET_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3967569,CS(=O)(=O)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,KYMRUCZMRSMLET,KYMRUCZMRSMLET-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O2S/c1-21(19,20)11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,7,6,13,19,8,20,16,5,11,10,21,12,9,17,18,3,4,2/E:(19,20)/CRV:21.6/rA:21CSOOCCCCNCCNCCCCNNCCCl/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-KYPYKSDOBOFBLO_on_O00222_WT,High,ChEMBL30,CHEMBL4068205,CC(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,KYPYKSDOBOFBLO,KYPYKSDOBOFBLO-UHFFFAOYSA-N,"InChI=1S/C13H18NO6P/c1-8(15)9-2-4-10(5-3-9)13(18)21(19,20)7-6-11(14)12(16)17/h2-5,11,13,18H,6-7,14H2,1H3,(H,16,17)(H,19,20)","""AuxInfo=1/1/N:1,5,21,6,20,14,13,2,4,7,15,17,8,16,3,18,19,9,11,12,10/E:(2,3)(4,5)(16,17)(19,20)/rA:21CCOCCCCCOPOOCCCNCOOCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s8;d10;s10;s10;s13;s14;s15;s15;d17;s17;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-KYPYKSDOBOFBLO_on_Q14833_WT,High,ChEMBL30,CHEMBL4068205,CC(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,KYPYKSDOBOFBLO,KYPYKSDOBOFBLO-UHFFFAOYSA-N,"InChI=1S/C13H18NO6P/c1-8(15)9-2-4-10(5-3-9)13(18)21(19,20)7-6-11(14)12(16)17/h2-5,11,13,18H,6-7,14H2,1H3,(H,16,17)(H,19,20)","""AuxInfo=1/1/N:1,5,21,6,20,14,13,2,4,7,15,17,8,16,3,18,19,9,11,12,10/E:(2,3)(4,5)(16,17)(19,20)/rA:21CCOCCCCCOPOOCCCNCOOCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s8;d10;s10;s10;s13;s14;s15;s15;d17;s17;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-KYQCZUCRRROXFL_on_P41594_WT,Low,ChEMBL30,CHEMBL594779,O=C(NC1CCCCC1)c1ccc(Nc2ccc(Cl)cc2)nc1,KYQCZUCRRROXFL,KYQCZUCRRROXFL-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c19-14-7-9-16(10-8-14)21-17-11-6-13(12-20-17)18(23)22-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:7,6,8,5,9,11,17,20,16,21,12,23,10,18,4,15,13,2,19,22,14,3,1/E:(2,3)(4,5)(7,8)(9,10)/rA:23OCNCCCCCCCCCCNCCCCClCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KYTHDBXSBSSRTI_on_P41594_WT,Medium,ChEMBL30,CHEMBL466006,Cc1nc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)ccc1,KYTHDBXSBSSRTI,KYTHDBXSBSSRTI-UHFFFAOYSA-N,"InChI=1S/C20H15N3O/c1-14-6-5-9-19(22-14)23-20(24)16-10-11-18(17(12-16)13-21)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,15,14,16,23,24,13,17,22,9,10,21,19,2,12,8,18,11,4,6,20,3,5,7/E:(3,4)(7,8)/rA:24CCNCNCOCCCCCCCCCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s11;s18;t19;s8d18;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-KYTHQUHMVMDEQH_on_P41594_WT,High,ChEMBL30,CHEMBL3702409,COc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21,KYTHQUHMVMDEQH,KYTHQUHMVMDEQH-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-13(2)16-11-23(12-22-16)19-9-17-14-5-4-6-18(26-3)15(14)7-8-24(17)20(25)10-21-19/h4-6,9,11-13H,7-8,10H2,1-3H3","""AuxInfo=1/0/N:22,23,1,5,6,4,9,10,25,14,24,18,21,7,8,20,26,3,16,12,15,19,17,11,13,2/E:(1,2)/rA:26COCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;s17;d18;s19;s20;s21;s21;s17d20;s16;s7s11w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-KYTHQUHMVMDEQH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702409,COc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21,KYTHQUHMVMDEQH,KYTHQUHMVMDEQH-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-13(2)16-11-23(12-22-16)19-9-17-14-5-4-6-18(26-3)15(14)7-8-24(17)20(25)10-21-19/h4-6,9,11-13H,7-8,10H2,1-3H3","""AuxInfo=1/0/N:22,23,1,5,6,4,9,10,25,14,24,18,21,7,8,20,26,3,16,12,15,19,17,11,13,2/E:(1,2)/rA:26COCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;s17;d18;s19;s20;s21;s21;s17d20;s16;s7s11w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-KYVYXWVSPNUWJE_on_P41594_WT,High,ChEMBL30,CHEMBL1779872,Cc1ccc(C#Cc2ccc3C(=O)N(C4CCCC4)CCc3n2)cc1,KYVYXWVSPNUWJE,KYVYXWVSPNUWJE-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c1-16-6-8-17(9-7-16)10-11-18-12-13-20-21(23-18)14-15-24(22(20)25)19-4-2-3-5-19/h6-9,12-13,19H,2-5,14-15H2,1H3","""AuxInfo=1/0/N:1,17,18,16,19,3,25,4,24,6,7,9,10,21,20,2,5,8,15,11,22,12,23,14,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25CCCCCCCCCCCCONCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s17;s15s18;s14;s20;s11s21;s8d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,1,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-KYXHUHDBKQSTAN_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681895,Fc1ccccc1COc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,KYXHUHDBKQSTAN,KYXHUHDBKQSTAN-UHFFFAOYSA-N,"InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2","""AuxInfo=1/0/N:5,17,4,18,6,16,3,19,25,28,24,29,12,8,7,26,23,15,11,2,14,20,10,27,1,13,21,22,9/E:(9,10)(11,12)/rA:29FCCCCCCCOCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s14s18;s11s15;d20;s10s21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-KYXHUHDBKQSTAN_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681895,Fc1ccccc1COc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1,KYXHUHDBKQSTAN,KYXHUHDBKQSTAN-UHFFFAOYSA-N,"InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2","""AuxInfo=1/0/N:5,17,4,18,6,16,3,19,25,28,24,29,12,8,7,26,23,15,11,2,14,20,10,27,1,13,21,22,9/E:(9,10)(11,12)/rA:29FCCCCCCCOCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s14s18;s11s15;d20;s10s21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-KYXRMXGTBWTLRH_on_Q14416_WT,High,ChEMBL30,CHEMBL593756,Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(C(F)(F)F)c2,KYXRMXGTBWTLRH,KYXRMXGTBWTLRH-UHFFFAOYSA-N,"InChI=1S/C20H18ClF6N5/c1-30-15-4-2-12(19(22,23)24)10-14(15)28-17(30)11-31-6-8-32(9-7-31)18-13(20(25,26)27)3-5-16(21)29-18/h2-5,10H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,26,14,25,13,6,21,7,20,32,4,27,15,23,24,11,3,9,28,16,12,29,30,31,17,18,19,22,10,2,5,8/E:(6,7)(8,9)(22,23,24)(25,26,27)/rA:32CNCCNCCNCNCClCCCCFFFCCNCCCCCCFFFC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s15;s16;s16;s16;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s27;s28;s28;s28;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-KYYYUWVCMXMIGZ_on_P41594_WT,High,ChEMBL30,CHEMBL3736161,CC(C)(C)n1nnc2c1CCC(c1noc(-c3ccc(F)cc3)n1)C2,KYYYUWVCMXMIGZ,KYYYUWVCMXMIGZ-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)21-23-24)16-20-17(25-22-16)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,23,11,19,22,10,25,17,12,20,8,9,13,16,2,21,24,7,14,6,5,15/E:(1,2,3)(4,5)(7,8)/rA:25CCCCNNNCCCCCCNOCCCCCFCCNC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;s13d16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-KZDMXBBHQXWFSQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45272146;CHEMBL551957,CC(C)CCNC(=O)c1cnc(C#Cc2ccccc2)cc1,KZDMXBBHQXWFSQ,KZDMXBBHQXWFSQ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O/c1-15(2)12-13-20-19(22)17-9-11-18(21-14-17)10-8-16-6-4-3-5-7-16/h3-7,9,11,14-15H,12-13H2,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,18,17,19,16,20,14,22,13,21,4,5,10,2,15,9,12,7,6,11,8/E:(1,2)(4,5)(6,7)/rA:22CCCCCNCOCCNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:420101;CHEMBL1032756,PMID:19443216,2009.0,PubChemAID:420101;PMID:19443216,2010;2009,0,0;1,0,0,1;0,,=,  6.292;  6.290,6.291,0.001,0.001,2.0,6.291,0.001
-KZDXAPZNXDJJMB_on_O15303_WT,High,ChEMBL30,CHEMBL291935,CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1ccccc1,KZDXAPZNXDJJMB,KZDXAPZNXDJJMB-UHFFFAOYSA-N,"InChI=1S/C19H17NO2S/c1-2-22-19(21)16-15(13-9-5-3-6-10-13)17(23-18(16)20)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3","""AuxInfo=1/0/N:1,2,21,14,20,22,13,15,19,23,12,16,18,11,17,6,10,7,4,8,5,3,9/E:(5,6)(7,8)(9,10)(11,12)/rA:23CCOCOCCNSCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-KZHKDFWFEMNXPI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3968018,Clc1cncc(Nc2c3ncccc3n[nH]2)c1,KZHKDFWFEMNXPI,KZHKDFWFEMNXPI-UHFFFAOYSA-N,"InChI=1S/C11H8ClN5/c12-7-4-8(6-13-5-7)15-11-10-9(16-17-11)2-1-3-14-10/h1-6H,(H2,15,16,17)","""AuxInfo=1/1/N:12,13,11,17,3,5,2,6,14,9,8,1,4,10,7,15,16/rA:17ClCCNCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-KZHQQVQAVWJTDA_on_Q12879_WT,Low,ChEMBL30,CHEMBL161876,N=C(NCc1c(OC(F)(F)F)cccc1)c1cc(Cl)c(Cl)cc1,KZHQQVQAVWJTDA,KZHQQVQAVWJTDA-UHFFFAOYSA-N,"InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)","""AuxInfo=1/1/N:14,13,15,12,23,22,17,4,16,5,20,18,6,2,8,21,19,9,10,11,1,3,7/E:(18,19,20)/rA:23NCNCCCOCFFFCCCCCCCClCClCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;s8;s8;s6;d12;s13;s5d14;s2;d16;s17;s18;d18;s20;s20;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749389,PMID:12639561,2003.0,PMID:12639561,2003,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-KZHQQVQAVWJTDA_on_Q13224_WT,Medium,ChEMBL30,CHEMBL161876,N=C(NCc1c(OC(F)(F)F)cccc1)c1cc(Cl)c(Cl)cc1,KZHQQVQAVWJTDA,KZHQQVQAVWJTDA-UHFFFAOYSA-N,"InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)","""AuxInfo=1/1/N:14,13,15,12,23,22,17,4,16,5,20,18,6,2,8,21,19,9,10,11,1,3,7/E:(18,19,20)/rA:23NCNCCCOCFFFCCCCCCCClCClCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;s8;s8;s6;d12;s13;s5d14;s2;d16;s17;s18;d18;s20;s20;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  7.920;  7.240,7.58,0.34,0.34,2.0,7.58,0.34
-KZKAYSCTXXDIGR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606060,C[n+]1cc2c(cc1)n(CCCCCCn1c3ccccc3c3c[n+](C)ccc31)c1c2cccc1,KZKAYSCTXXDIGR,KZKAYSCTXXDIGR-UHFFFAOYSA-N,"InChI=1S/C30H32N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3/q+2","""AuxInfo=1/0/N:1,25,11,12,32,19,33,18,10,13,31,20,34,17,6,27,9,14,7,26,3,23,30,21,4,22,29,16,5,28,2,24,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/CRV:31+1,32+1/rA:34CN+CCCCCNCCCCCCNCCCCCCCCN+CCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;d24;s26;s15s22d27;s8;s4d29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608120;CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  4.860;  4.510,4.685,0.175,0.175,2.0,4.685,0.175
-KZKAYSCTXXDIGR_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606060,C[n+]1cc2c(cc1)n(CCCCCCn1c3ccccc3c3c[n+](C)ccc31)c1c2cccc1,KZKAYSCTXXDIGR,KZKAYSCTXXDIGR-UHFFFAOYSA-N,"InChI=1S/C30H32N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3/q+2","""AuxInfo=1/0/N:1,25,11,12,32,19,33,18,10,13,31,20,34,17,6,27,9,14,7,26,3,23,30,21,4,22,29,16,5,28,2,24,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/CRV:31+1,32+1/rA:34CN+CCCCCNCCCCCCNCCCCCCCCN+CCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;d24;s26;s15s22d27;s8;s4d29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-KZKAYSCTXXDIGR_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606060,C[n+]1cc2c(cc1)n(CCCCCCn1c3ccccc3c3c[n+](C)ccc31)c1c2cccc1,KZKAYSCTXXDIGR,KZKAYSCTXXDIGR-UHFFFAOYSA-N,"InChI=1S/C30H32N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3/q+2","""AuxInfo=1/0/N:1,25,11,12,32,19,33,18,10,13,31,20,34,17,6,27,9,14,7,26,3,23,30,21,4,22,29,16,5,28,2,24,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/CRV:31+1,32+1/rA:34CN+CCCCCNCCCCCCNCCCCCCCCN+CCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;d24;s26;s15s22d27;s8;s4d29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  4.510,4.51,0.0,0.0,1.0,4.51,0.0
-KZNIFHPLKGYRTM_on_O00591_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_O14764_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P14867_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P18505_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P18507_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P28472_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P31644_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P34903_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P47869_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P47870_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P48169_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_P78334_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_Q16445_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIFHPLKGYRTM_on_Q99928_WT,Low,ChEMBL30,CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2,KZNIFHPLKGYRTM,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H","""AuxInfo=1/0/N:6,11,7,10,17,20,3,5,8,18,15,2,4,13,14,9,19,16,1,12/E:(1,2)(3,4)/rA:20OCCCCCCCOCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-KZNIQYFLVYURSA_on_P41594_WT,High,ChEMBL30,CHEMBL3655662,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1,KZNIQYFLVYURSA,KZNIQYFLVYURSA-UHFFFAOYSA-N,"InChI=1S/C15H10BrN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)","""AuxInfo=1/1/N:21,22,18,16,5,7,11,15,13,19,4,8,10,17,2,20,6,12,14,23,3,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCCCBrCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-KZOBYFBUONCLFZ_on_P41594_WT,High,ChEMBL30,CHEMBL361795,N#Cc1cccc(-c2nc(-c3ncccc3)no2)c1,KZOBYFBUONCLFZ,KZOBYFBUONCLFZ-UHFFFAOYSA-N,InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12/h1-8H,"""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,3,7,11,10,8,1,12,9,17,18/rA:19NCCCCCCCNCCNCCCCNOC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s8s17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;CHEMBL833257,PMID:15341479,2004.0,PMID:23046966;PMID:15341479,2012;2004,1,0,0,0,0,,=,  7.370;  7.000,7.185,0.185,0.185,2.0,7.185,0.185
-KZOMBNQLBSHMFV_on_Q14831_WT,Low,ChEMBL30,CHEMBL442076;CHEMBL197976,NC(C(=O)O)C1CC1P(=O)(O)O,KZOMBNQLBSHMFV,KZOMBNQLBSHMFV-UHFFFAOYSA-N,"InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:7,6,8,2,3,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/rA:12NCCOOCCCPOOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL892221;CHEMBL863304,PMID:16213710,2006.0,PMID:17350267;PMID:16213710,2007;2006,0,1,0,0,0,,=,  3.155;  3.155,3.155,0.0,0.0,2.0,3.155,0.0
-KZRPOKATSDHKMF_on_O15399_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_O60391_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_Q05586_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_Q12879_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_Q13224_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZRPOKATSDHKMF_on_Q14957_WT,Low,ChEMBL30,CHEMBL1207193,Nc1c(NCCC(=O)O)c(=O)c1=O,KZRPOKATSDHKMF,KZRPOKATSDHKMF-UHFFFAOYSA-N,"InChI=1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)","""AuxInfo=1/1/N:6,5,7,2,3,12,10,1,4,8,9,13,11/E:(10,11)/rA:13NCCNCCCOOCOCO/rB:s1;d2;s3;s4;s5;s6;d7;s7;s3;d10;s2s10;d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZSDRHSSHPIBAO_on_P14867_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-KZSDRHSSHPIBAO_on_P18507_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL829006;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.230;  7.110;  7.680;  8.360,7.595,0.49,0.28300000000000003,4.0,7.455,0.285
-KZSDRHSSHPIBAO_on_P28472_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.360;  7.680;  7.230;  7.110,7.595,0.49,0.28300000000000003,4.0,7.455,0.285
-KZSDRHSSHPIBAO_on_P31644_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-KZSDRHSSHPIBAO_on_P34903_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-KZSDRHSSHPIBAO_on_P47869_WT,Low,ChEMBL30,CHEMBL440558,Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,KZSDRHSSHPIBAO,KZSDRHSSHPIBAO-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-15(21-25-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)24-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,7,27,24,13,6,22,23,12,21,9,5,19,20,10,4,3,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-KZVXQEUKNSZRGW_on_Q05586_WT,Low,ChEMBL30,CHEMBL65314,CCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,KZVXQEUKNSZRGW,KZVXQEUKNSZRGW-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-2-29(26,27)25-17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,24,23,25,22,26,17,28,12,18,27,11,15,8,16,7,21,19,10,9,14,13,29,6,4,5,20,3/E:(4,5)(6,7)(8,9)(11,12)(26,27)/CRV:29.6/rA:29CCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;s10;s7d11;s10;s13;s14;s15;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16d27;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  8.520;  8.680,8.6,0.08,0.08,2.0,8.6,0.08
-KZVXQEUKNSZRGW_on_Q13224_WT,Low,ChEMBL30,CHEMBL65314,CCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,KZVXQEUKNSZRGW,KZVXQEUKNSZRGW-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-2-29(26,27)25-17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,2,24,23,25,22,26,17,28,12,18,27,11,15,8,16,7,21,19,10,9,14,13,29,6,4,5,20,3/E:(4,5)(6,7)(8,9)(11,12)(26,27)/CRV:29.6/rA:29CCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;s10;s7d11;s10;s13;s14;s15;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16d27;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  8.680;  8.520,8.6,0.08,0.08,2.0,8.6,0.08
-KZWLGIYYDMZFHQ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257528,CNCc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,KZWLGIYYDMZFHQ,KZWLGIYYDMZFHQ-UHFFFAOYSA-N,"InChI=1S/C18H22F3N5O2S/c1-23-8-10-9-26(25-15(10)18(19,20)21)7-6-13(27)24-17-14(16(22)28)11-4-2-3-5-12(11)29-17/h9,23H,2-8H2,1H3,(H2,22,28)(H,24,27)","""AuxInfo=1/1/N:1,21,20,22,19,8,7,3,5,4,17,18,9,13,25,14,12,26,27,28,29,15,2,11,24,6,10,16,23/E:(19,20,21)/rA:29CNCCCNCCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s6;s4d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-KZYIZCRZAALFIE_on_Q12879_WT,Low,ChEMBL30,CHEMBL358601,Cc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,KZYIZCRZAALFIE,KZYIZCRZAALFIE-UHFFFAOYSA-N,"InChI=1S/C18H26N4S/c1-15-19-18(21-20-15)23-13-5-10-22-11-8-17(9-12-22)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,23,3,4,10,6/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KZYIZCRZAALFIE_on_Q13224_WT,Medium,ChEMBL30,CHEMBL358601,Cc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,KZYIZCRZAALFIE,KZYIZCRZAALFIE-UHFFFAOYSA-N,"InChI=1S/C18H26N4S/c1-15-19-18(21-20-15)23-13-5-10-22-11-8-17(9-12-22)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,23,3,4,10,6/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-KZYIZCRZAALFIE_on_Q14957_WT,Low,ChEMBL30,CHEMBL358601,Cc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,KZYIZCRZAALFIE,KZYIZCRZAALFIE-UHFFFAOYSA-N,"InChI=1S/C18H26N4S/c1-15-19-18(21-20-15)23-13-5-10-22-11-8-17(9-12-22)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,18,17,19,8,16,20,12,21,9,11,22,7,14,2,15,13,5,23,3,4,10,6/E:(3,4)(6,7)(8,9)(11,12)/rA:23CCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KZZRMKCDXGJHJT_on_P41594_WT,Low,ChEMBL30,CHEMBL224088,CCc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1,KZZRMKCDXGJHJT,KZZRMKCDXGJHJT-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-2-12-3-7-14(8-4-12)24-11-22-17-16-15(23-13-5-6-13)9-10-21-19(16)26-18(17)20(24)25/h3-4,7-11,13H,2,5-6H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,2,4,26,18,19,5,25,20,21,8,3,17,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(3,4)(5,6)(7,8)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-KZZRMKCDXGJHJT_on_Q13255_WT,High,ChEMBL30,CHEMBL224088,CCc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1,KZZRMKCDXGJHJT,KZZRMKCDXGJHJT-UHFFFAOYSA-N,"InChI=1S/C20H18N4OS/c1-2-12-3-7-14(8-4-12)24-11-22-17-16-15(23-13-5-6-13)9-10-21-19(16)26-18(17)20(24)25/h3-4,7-11,13H,2,5-6H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,2,4,26,18,19,5,25,20,21,8,3,17,6,15,14,10,11,13,23,22,9,16,7,24,12/E:(3,4)(5,6)(7,8)/rA:26CCCCCCNCNCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-LACCRQQZIFQVMO_on_P14867_WT,Low,ChEMBL30,CHEMBL1814309,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N(C)C)c1,LACCRQQZIFQVMO,LACCRQQZIFQVMO-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c1-6-8-15-12-18(21(23)19(13-15)22(3)4)16-10-11-20(24-5)17(14-16)9-7-2/h6-7,10-14,23H,1-2,8-9H2,3-5H3","""AuxInfo=1/0/N:1,16,22,23,12,2,15,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,11/E:(3,4)/rA:24CCCCCCCCCCOCCCCCCCOCNCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.730,4.73,0.0,0.0,1.0,4.73,0.0
-LACCRQQZIFQVMO_on_P47870_WT,Low,ChEMBL30,CHEMBL1814309,C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N(C)C)c1,LACCRQQZIFQVMO,LACCRQQZIFQVMO-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c1-6-8-15-12-18(21(23)19(13-15)22(3)4)16-10-11-20(24-5)17(14-16)9-7-2/h6-7,10-14,23H,1-2,8-9H2,3-5H3","""AuxInfo=1/0/N:1,16,22,23,12,2,15,3,14,8,9,5,24,17,4,7,13,6,20,10,18,21,19,11/E:(3,4)/rA:24CCCCCCCCCCOCCCCCCCOCNCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;d15;s7d13;d6;s18;s18;s20;s21;s21;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.730,4.73,0.0,0.0,1.0,4.73,0.0
-LAERNJZRQCNAQG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3913377,CN1C(=O)N(c2ccc(C#Cc3cccc(Cl)c3)nn2)CC1(C)C,LAERNJZRQCNAQG,LAERNJZRQCNAQG-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-18(2)12-23(17(24)22(18)3)16-10-9-15(20-21-16)8-7-13-5-4-6-14(19)11-13/h4-6,9-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,21,12,16,9,6,3,22,17,19,20,2,5,4/E:(1,2)/rA:24CNCONCCCCCCCCCCCClCNNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-LAIRLBIWFMAKAV_on_P41594_WT,High,ChEMBL30,CHEMBL3633947,O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12,LAIRLBIWFMAKAV,LAIRLBIWFMAKAV-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c21-17(13-7-8-13)19-9-4-10-20-16(19)11-14(18-20)12-22-15-5-2-1-3-6-15/h1-3,5-6,11,13H,4,7-10,12H2","""AuxInfo=1/0/N:18,17,19,8,16,20,4,5,7,9,21,13,3,12,15,22,2,11,6,10,1,14/E:(2,3)(5,6)(7,8)/rA:22OCCCCNCCCNNCCOCCCCCCCC/rB:d1;s2;s3;s3s4;s2;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12;s6s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.250;  6.280,6.265,0.015,0.015,2.0,6.265,0.015
-LAIVMHBDWCQYSI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403666;71712441,O=C1NCCc2c1sc(C#Cc1cccnc1)n2,LAIVMHBDWCQYSI,LAIVMHBDWCQYSI-UHFFFAOYSA-N,"InChI=1S/C13H9N3OS/c17-13-12-10(5-7-15-13)16-11(18-12)4-3-9-2-1-6-14-8-9/h1-2,6,8H,5,7H2,(H,15,17)","""AuxInfo=1/1/N:14,13,11,10,5,15,4,17,12,6,9,7,2,16,3,18,1,8/rA:18OCNCCCCSCCCCCCCNCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.290;  7.292,7.291,0.001,0.001,2.0,7.291,0.001
-LAKPGJFZNPTTDJ_on_P41594_WT,High,ChEMBL30,CHEMBL3702427,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cccnc4)C3=C2)cn1,LAKPGJFZNPTTDJ,LAKPGJFZNPTTDJ-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-15-13-26(14-25-15)21-10-20-19-6-2-5-17(16-4-3-8-23-11-16)18(19)7-9-27(20)22(28)12-24-21/h2-6,8,10-11,13-14H,7,9,12H2,1H3","""AuxInfo=1/0/N:1,16,21,20,17,15,12,22,11,26,24,7,3,27,2,19,18,13,14,25,5,8,23,6,28,4,10,9/rA:28CCCNCNCCONCCCCCCCCCCCCNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-LAKPGJFZNPTTDJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702427,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cccnc4)C3=C2)cn1,LAKPGJFZNPTTDJ,LAKPGJFZNPTTDJ-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-15-13-26(14-25-15)21-10-20-19-6-2-5-17(16-4-3-8-23-11-16)18(19)7-9-27(20)22(28)12-24-21/h2-6,8,10-11,13-14H,7,9,12H2,1H3","""AuxInfo=1/0/N:1,16,21,20,17,15,12,22,11,26,24,7,3,27,2,19,18,13,14,25,5,8,23,6,28,4,10,9/rA:28CCCNCNCCONCCCCCCCCCCCCNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LALUZJQFRGXURK_on_P41594_WT,Low,ChEMBL30,CHEMBL389870,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cn1,LALUZJQFRGXURK,LALUZJQFRGXURK-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,4,19,20,24,8,6,15,3,14,10,11,13,22,21,25,9,16,7,23,2,12/E:(1,2)/rA:25COCCCCNCNCCSCCCNCCCCNCOCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LALUZJQFRGXURK_on_Q13255_WT,High,ChEMBL30,CHEMBL389870,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cn1,LALUZJQFRGXURK,LALUZJQFRGXURK-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,4,19,20,24,8,6,15,3,14,10,11,13,22,21,25,9,16,7,23,2,12/E:(1,2)/rA:25COCCCCNCNCCSCCCNCCCCNCOCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-LANDKUVVCIAGOW_on_P14867_WT,Medium,ChEMBL30,CHEMBL148044,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)cn12,LANDKUVVCIAGOW,LANDKUVVCIAGOW-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-17-8-6-16(7-9-17)20-14-27-21(24-20)18-13-26(11-10-19(18)25-22(27)28)12-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,10,14,21,26,22,25,16,15,8,6,27,9,20,23,5,4,19,17,2,24,18,3,7,28,1/E:(2,3)(4,5)(6,7)(8,9)/rA:28OCNCCCNCCCCCCCCCCNCCCCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-LANDKUVVCIAGOW_on_P47869_WT,Medium,ChEMBL30,CHEMBL148044,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)cn12,LANDKUVVCIAGOW,LANDKUVVCIAGOW-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-17-8-6-16(7-9-17)20-14-27-21(24-20)18-13-26(11-10-19(18)25-22(27)28)12-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,10,14,21,26,22,25,16,15,8,6,27,9,20,23,5,4,19,17,2,24,18,3,7,28,1/E:(2,3)(4,5)(6,7)(8,9)/rA:28OCNCCCNCCCCCCCCCCNCCCCCFCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-LAOAUOJHEQIHHM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3908181,COc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,LAOAUOJHEQIHHM,LAOAUOJHEQIHHM-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O/c1-19-11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,12,13,5,4,11,17,6,18,14,3,9,8,19,10,7,15,16,2/rA:19COCCCCNCCNCCCCNNCCCl/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LAOSZPPVEIOQBH_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628099,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(Br)o1,LAOSZPPVEIOQBH,LAOSZPPVEIOQBH-UHFFFAOYSA-N,"InChI=1S/C19H10BrClN2O4/c20-16-8-7-15(27-16)17(24)22-10-5-6-14(13(21)9-10)23-18(25)11-3-1-2-4-12(11)19(23)26/h1-9H,(H,22,24)","""AuxInfo=1/1/N:14,15,13,16,5,6,23,24,21,4,12,11,19,7,22,25,2,17,9,26,20,3,8,1,18,10,27/E:(1,2)(3,4)(11,12)(18,19)(25,26)/rA:27OCNCCCCNCOCCCCCCCOCClCCCCCBrO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-LAVMCIGVYROOJC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3970463,Cc1ccc(CC(C)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1,LAVMCIGVYROOJC,LAVMCIGVYROOJC-UHFFFAOYSA-N,"InChI=1S/C25H22FN3O/c1-15(11-17-4-3-16(2)28-14-17)19-7-10-21-22(18-5-8-20(26)9-6-18)13-24(25(27)30)29-23(21)12-19/h3-10,12-15H,11H2,1-2H3,(H2,27,30)","""AuxInfo=1/1/N:8,1,3,4,15,20,10,16,19,11,6,28,21,29,7,2,5,14,9,17,12,13,27,22,23,18,24,30,26,25/E:(5,6)(8,9)/rA:30CCCCCCCCCCCCCCCCCFCCCCCNONCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.720;  7.680,7.7,0.02,0.02,2.0,7.7,0.02
-LBELXPGEJHKDMP_on_P41594_WT,Low,ChEMBL30,CHEMBL304034,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1,LBELXPGEJHKDMP,LBELXPGEJHKDMP-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,19,21,18,22,14,24,15,23,6,12,25,13,17,16,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(6,7)(8,9)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LBELXPGEJHKDMP_on_Q13255_WT,Low,ChEMBL30,CHEMBL304034,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1,LBELXPGEJHKDMP,LBELXPGEJHKDMP-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,19,21,18,22,14,24,15,23,6,12,25,13,17,16,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(6,7)(8,9)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LBELXPGEJHKDMP_on_Q14416_WT,Low,ChEMBL30,CHEMBL304034,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1,LBELXPGEJHKDMP,LBELXPGEJHKDMP-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,19,21,18,22,14,24,15,23,6,12,25,13,17,16,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(6,7)(8,9)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LBELXPGEJHKDMP_on_Q14832_WT,Low,ChEMBL30,CHEMBL304034,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1,LBELXPGEJHKDMP,LBELXPGEJHKDMP-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,19,21,18,22,14,24,15,23,6,12,25,13,17,16,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(6,7)(8,9)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LBLTVGBYWSCNIJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL228378,NCCCCNCCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,LBLTVGBYWSCNIJ,LBLTVGBYWSCNIJ-UHFFFAOYSA-N,"InChI=1S/C27H39N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-16,29-30H,5-10,17-22,28H2,(H,31,33)","""AuxInfo=1/1/N:28,31,27,32,3,4,8,9,13,14,29,30,26,33,23,22,2,5,7,10,12,15,24,21,25,20,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;w?22;s23;s19d24;s25;d26;s27;s24d28;s21;d30;s31;s20d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.620;  6.530,6.575,0.045,0.045,2.0,6.575,0.045
-LBLTVGBYWSCNIJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL228378,NCCCCNCCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,LBLTVGBYWSCNIJ,LBLTVGBYWSCNIJ-UHFFFAOYSA-N,"InChI=1S/C27H39N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-16,29-30H,5-10,17-22,28H2,(H,31,33)","""AuxInfo=1/1/N:28,31,27,32,3,4,8,9,13,14,29,30,26,33,23,22,2,5,7,10,12,15,24,21,25,20,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;w?22;s23;s19d24;s25;d26;s27;s24d28;s21;d30;s31;s20d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-LBLTVGBYWSCNIJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL228378,NCCCCNCCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,LBLTVGBYWSCNIJ,LBLTVGBYWSCNIJ-UHFFFAOYSA-N,"InChI=1S/C27H39N5O/c28-17-5-6-18-29-19-7-8-20-30-21-9-10-22-31-27(33)32-25-13-3-1-11-23(25)15-16-24-12-2-4-14-26(24)32/h1-4,11-16,29-30H,5-10,17-22,28H2,(H,31,33)","""AuxInfo=1/1/N:28,31,27,32,3,4,8,9,13,14,29,30,26,33,23,22,2,5,7,10,12,15,24,21,25,20,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(15,16)(23,24)(25,26)/rA:33NCCCCNCCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;w?22;s23;s19d24;s25;d26;s27;s24d28;s21;d30;s31;s20d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-LBLUQLJKQZGYIW_on_P41594_WT,High,ChEMBL30,CHEMBL2440617,O=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1,LBLUQLJKQZGYIW,LBLUQLJKQZGYIW-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN4O2/c17-11-3-10(16(23)22-15-6-12(18)1-2-21-15)4-13(5-11)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23)","""AuxInfo=1/1/N:8,9,12,24,15,5,19,23,21,11,13,6,16,18,4,2,14,7,20,22,10,3,1,17/E:(7,8)(19,20)/rA:24OCNCCCFCCNCCCClCCOCCNCNCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-LBLXFRRQZJVWJO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3982366,O=C(c1ccc(C#Cc2cc(Cl)ccc2)cn1)N1CCOCC1,LBLXFRRQZJVWJO,LBLXFRRQZJVWJO-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2","""AuxInfo=1/0/N:14,15,13,8,7,5,4,19,23,20,22,10,16,9,6,11,3,2,12,17,18,1,21/E:(8,9)(10,11)/rA:23OCCCCCCCCCCClCCCCNNCCOCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;s11;d11;s13;s9d14;s6;s3d16;s2;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887807,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-LBOJYSIDWZQNJS_on_O15399_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  8.170;  8.920,8.545,0.375,0.375,2.0,8.545,0.375
-LBOJYSIDWZQNJS_on_O60391_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  8.920;  8.170,8.545,0.375,0.375,2.0,8.545,0.375
-LBOJYSIDWZQNJS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  8.170;  8.920,8.545,0.375,0.375,2.0,8.545,0.375
-LBOJYSIDWZQNJS_on_Q05586_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030;CHEMBL761030;CHEMBL1015706,PMID:9464369,1998.0,PMID:9464369;PMID:9464369;PMID:18540667,1998;1998;2008,0;0;1,0,0,1;1;0,0,,=,  8.920;  8.170;  8.050,8.38,0.385,0.272,3.0,8.17,0.12
-LBOJYSIDWZQNJS_on_Q12879_WT,Medium,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1781200,PMID:9464369,1998.0,PMID:21524576,2011,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-LBOJYSIDWZQNJS_on_Q13224_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1015706;CHEMBL761030;CHEMBL761030,PMID:9464369,1998.0,PMID:18540667;PMID:9464369;PMID:9464369,2008;1998;1998,1;0;0,0,0,0;1;1,0,,=,  8.050;  8.920;  8.170,8.38,0.385,0.272,3.0,8.17,0.12
-LBOJYSIDWZQNJS_on_Q14957_WT,Low,ChEMBL30,CHEMBL284237,CC12NC(Cc3c1cccc3)c1ccccc12,LBOJYSIDWZQNJS,LBOJYSIDWZQNJS-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3","""AuxInfo=1/0/N:1,10,14,9,15,11,13,8,16,5,6,12,7,17,4,2,3/rA:17CCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s6d10;s4;d12;s13;d14;s15;s2s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  8.920;  8.170,8.545,0.375,0.375,2.0,8.545,0.375
-LBPAWUSEFJACHD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760308,CN1CCC(c2ccccc2)(N2CCCCC2)C1=O,LBPAWUSEFJACHD,LBPAWUSEFJACHD-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c1-17-13-10-16(15(17)19,14-8-4-2-5-9-14)18-11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3","""AuxInfo=1/0/N:1,9,15,8,10,14,16,7,11,4,13,17,3,6,18,5,2,12,19/E:(4,5)(6,7)(8,9)(11,12)/rA:19CNCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;s15;s12s16;s2s5;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764159;CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  3.600;  4.300,3.95,0.35,0.35,2.0,3.95,0.35
-LBPAWUSEFJACHD_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760308,CN1CCC(c2ccccc2)(N2CCCCC2)C1=O,LBPAWUSEFJACHD,LBPAWUSEFJACHD-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c1-17-13-10-16(15(17)19,14-8-4-2-5-9-14)18-11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3","""AuxInfo=1/0/N:1,9,15,8,10,14,16,7,11,4,13,17,3,6,18,5,2,12,19/E:(4,5)(6,7)(8,9)(11,12)/rA:19CNCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;s15;s12s16;s2s5;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-LBPAWUSEFJACHD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760308,CN1CCC(c2ccccc2)(N2CCCCC2)C1=O,LBPAWUSEFJACHD,LBPAWUSEFJACHD-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c1-17-13-10-16(15(17)19,14-8-4-2-5-9-14)18-11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3","""AuxInfo=1/0/N:1,9,15,8,10,14,16,7,11,4,13,17,3,6,18,5,2,12,19/E:(4,5)(6,7)(8,9)(11,12)/rA:19CNCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;s15;s12s16;s2s5;d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-LBSLBOYNNAQSDJ_on_Q14833_WT,High,ChEMBL30,CHEMBL1223159,O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccn1,LBSLBOYNNAQSDJ,LBSLBOYNNAQSDJ-UHFFFAOYSA-N,"InChI=1S/C18H21N3O3S/c22-18(17-8-4-5-13-19-17)20-14-9-11-16(12-10-14)25(23,24)21-15-6-2-1-3-7-15/h4-5,8-13,15,21H,1-3,6-7H2,(H,20,22)","""AuxInfo=1/1/N:15,14,16,22,23,13,17,21,5,19,6,18,24,4,12,7,20,2,25,3,11,1,9,10,8/E:(2,3)(6,7)(9,10)(11,12)(23,24)/CRV:25.6/rA:25OCNCCCCSOONCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;s12;s13;s14;s15;s12s16;s7;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-LBTSLIMXEIKXMS_on_P14867_WT,Low,ChEMBL30,CHEMBL3289502,CCCCN(CCCC)C(=O)c1c2cc3OCOc3cc2ccc1,LBTSLIMXEIKXMS,LBTSLIMXEIKXMS-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-3-5-10-21(11-6-4-2)20(22)16-9-7-8-15-12-18-19(13-17(15)16)24-14-23-18/h7-9,12-13H,3-6,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,23,22,24,4,6,20,14,17,21,12,13,19,15,10,5,11,18,16/E:(1,2)(3,4)(5,6)(10,11)/rA:24CCCCNCCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;s16;s17;s15s18;d19;s13s20;d21;s22;s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-LBTSLIMXEIKXMS_on_P18507_WT,Low,ChEMBL30,CHEMBL3289502,CCCCN(CCCC)C(=O)c1c2cc3OCOc3cc2ccc1,LBTSLIMXEIKXMS,LBTSLIMXEIKXMS-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-3-5-10-21(11-6-4-2)20(22)16-9-7-8-15-12-18-19(13-17(15)16)24-14-23-18/h7-9,12-13H,3-6,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,23,22,24,4,6,20,14,17,21,12,13,19,15,10,5,11,18,16/E:(1,2)(3,4)(5,6)(10,11)/rA:24CCCCNCCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;s16;s17;s15s18;d19;s13s20;d21;s22;s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-LBTSLIMXEIKXMS_on_P47870_WT,Low,ChEMBL30,CHEMBL3289502,CCCCN(CCCC)C(=O)c1c2cc3OCOc3cc2ccc1,LBTSLIMXEIKXMS,LBTSLIMXEIKXMS-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-3-5-10-21(11-6-4-2)20(22)16-9-7-8-15-12-18-19(13-17(15)16)24-14-23-18/h7-9,12-13H,3-6,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,23,22,24,4,6,20,14,17,21,12,13,19,15,10,5,11,18,16/E:(1,2)(3,4)(5,6)(10,11)/rA:24CCCCNCCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;d12;s13;d14;s15;s16;s17;s15s18;d19;s13s20;d21;s22;s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-LBUBRDATONAYBC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3970768,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1,LBUBRDATONAYBC,LBUBRDATONAYBC-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O3S2/c20-14-6-2-1-5-13(14)11-28(25,26)18-16(12-8-9-12)22-19(27-18)23-17(24)15-7-3-4-10-21-15/h1-7,10,12H,8-9,11H2,(H,22,23,24)","""AuxInfo=1/1/N:17,18,25,26,16,19,24,8,9,27,14,7,15,20,23,6,2,10,4,21,28,5,3,1,12,13,22,11/E:(8,9)(25,26)/CRV:28.6/rA:28OCNCNCCCCCSOOCCCCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;d17;s18;s15d19;s20;s4s10;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-LBVOFGFYNPOQHT_on_P14867_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-LBVOFGFYNPOQHT_on_P18507_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL682253;CHEMBL685339;CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.720;  7.320;  8.850;  8.370,8.065,0.588,0.34,4.0,8.045,0.525
-LBVOFGFYNPOQHT_on_P28472_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL685339;CHEMBL681405;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.370;  8.850;  7.720;  7.320,8.065,0.588,0.34,4.0,8.045,0.525
-LBVOFGFYNPOQHT_on_P31644_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-LBVOFGFYNPOQHT_on_P34903_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-LBVOFGFYNPOQHT_on_P47869_WT,Low,ChEMBL30,CHEMBL308481,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1,LBVOFGFYNPOQHT,LBVOFGFYNPOQHT-UHFFFAOYSA-N,"InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,21,20,12,13,23,4,22,17,5,7,16,8,10,2,11,19,18,6,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-LBXATWSNQVYPIT_on_P41594_WT,High,ChEMBL30,CHEMBL3745901,O=C1c2cc(COc3ccccc3)nn2CCN1c1c(F)cccc1,LBXATWSNQVYPIT,LBXATWSNQVYPIT-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-16-8-4-5-9-17(16)22-10-11-23-18(19(22)24)12-14(21-23)13-25-15-6-2-1-3-7-15/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,23,24,9,13,22,25,17,16,4,6,5,8,20,19,3,2,21,14,18,15,1,7/E:(2,3)(6,7)/rA:25OCCCCCOCCCCCCNNCCNCCFCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;s20;d22;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.800;  6.800,6.8,0.0,0.0,2.0,6.8,0.0
-LBZKVDSSBGKEOB_on_Q14416_WT,High,ChEMBL30,CHEMBL4067298,CCOCc1nnc2c(C(F)(F)F)c(-c3cc(F)c(Oc4c(C)nc(C)cc4)cc3)ccn12,LBZKVDSSBGKEOB,LBZKVDSSBGKEOB-UHFFFAOYSA-N,"InChI=1S/C23H20F4N4O2/c1-4-32-12-20-29-30-22-21(23(25,26)27)16(9-10-31(20)22)15-6-8-19(17(24)11-15)33-18-7-5-13(2)28-14(18)3/h5-11H,4,12H2,1-3H3","""AuxInfo=1/0/N:1,26,23,2,27,30,28,29,31,32,16,4,25,22,15,14,17,21,19,5,9,8,10,18,11,12,13,24,6,7,33,3,20/E:(25,26,27)/rA:33CCOCCNNCCCFFFCCCCFCOCCCNCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s10;s10;d9;s14;d15;s16;s17;d17;s19;s20;d21;s22;s22;d24;s25;s25;s21d27;s19;s15d29;s14;d31;s5s8s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  7.930;  7.530;  8.680,8.047,0.47700000000000004,0.337,3.0,7.93,0.4
-LCCYGVBXMXVHRW_on_P14867_WT,Medium,ChEMBL30,CHEMBL461716,CCOC(=O)c1c2n(C)c(=O)c3c(ccc(C#C[Si](C)(C)C)c3)n2cn1,LCCYGVBXMXVHRW,LCCYGVBXMXVHRW-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3Si/c1-6-25-19(24)16-17-21(2)18(23)14-11-13(9-10-26(3,4)5)7-8-15(14)22(17)12-20-16/h7-8,11-12H,6H2,1-5H3","""AuxInfo=1/0/N:1,9,20,21,22,2,15,14,17,18,23,25,16,12,13,6,7,10,4,26,8,24,11,5,3,19/E:(3,4,5)/rA:26CCOCOCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;t17;s18;s19;s19;s19;s12d16;s7s13;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-LCCYGVBXMXVHRW_on_P31644_WT,Medium,ChEMBL30,CHEMBL461716,CCOC(=O)c1c2n(C)c(=O)c3c(ccc(C#C[Si](C)(C)C)c3)n2cn1,LCCYGVBXMXVHRW,LCCYGVBXMXVHRW-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3Si/c1-6-25-19(24)16-17-21(2)18(23)14-11-13(9-10-26(3,4)5)7-8-15(14)22(17)12-20-16/h7-8,11-12H,6H2,1-5H3","""AuxInfo=1/0/N:1,9,20,21,22,2,15,14,17,18,23,25,16,12,13,6,7,10,4,26,8,24,11,5,3,19/E:(3,4,5)/rA:26CCOCOCCNCCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;t17;s18;s19;s19;s19;s12d16;s7s13;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-LCDOZBPYZHDFGO_on_P14867_WT,Low,ChEMBL30,CHEMBL203286,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1,LCDOZBPYZHDFGO,LCDOZBPYZHDFGO-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H,"""AuxInfo=1/0/N:22,7,21,23,8,27,28,6,11,26,14,12,13,3,2,19,24,9,17,18,4,1,20,25,10,5,15,16/E:(3,4)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCCCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-LCDOZBPYZHDFGO_on_P18507_WT,Low,ChEMBL30,CHEMBL203286,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1,LCDOZBPYZHDFGO,LCDOZBPYZHDFGO-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H,"""AuxInfo=1/0/N:22,7,21,23,8,27,28,6,11,26,14,12,13,3,2,19,24,9,17,18,4,1,20,25,10,5,15,16/E:(3,4)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCCCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865018;CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=, 10.000;  9.400;  9.520,9.64,0.259,0.183,3.0,9.52,0.12
-LCDOZBPYZHDFGO_on_P28472_WT,Low,ChEMBL30,CHEMBL203286,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1,LCDOZBPYZHDFGO,LCDOZBPYZHDFGO-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H,"""AuxInfo=1/0/N:22,7,21,23,8,27,28,6,11,26,14,12,13,3,2,19,24,9,17,18,4,1,20,25,10,5,15,16/E:(3,4)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCCCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865018;CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=, 10.000;  9.400;  9.520,9.64,0.259,0.183,3.0,9.52,0.12
-LCDOZBPYZHDFGO_on_P31644_WT,Low,ChEMBL30,CHEMBL203286,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1,LCDOZBPYZHDFGO,LCDOZBPYZHDFGO-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H,"""AuxInfo=1/0/N:22,7,21,23,8,27,28,6,11,26,14,12,13,3,2,19,24,9,17,18,4,1,20,25,10,5,15,16/E:(3,4)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCCCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-LCDOZBPYZHDFGO_on_P34903_WT,Low,ChEMBL30,CHEMBL203286,Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1,LCDOZBPYZHDFGO,LCDOZBPYZHDFGO-UHFFFAOYSA-N,InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H,"""AuxInfo=1/0/N:22,7,21,23,8,27,28,6,11,26,14,12,13,3,2,19,24,9,17,18,4,1,20,25,10,5,15,16/E:(3,4)(16,17)(23,24)/rA:28FCCCNCCCCFCCCCNNCCCFCCCCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s9;s3;d11;s12;d13;s14;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s13d17;s12;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-LCFLTITYNXLCQW_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,44191099;CHEMBL560021,O=C(Nc1cc(Cl)c(Cl)cc1)c1ccncn1,LCFLTITYNXLCQW,LCFLTITYNXLCQW-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-3-4-14-6-15-10/h1-6H,(H,16,17)","""AuxInfo=1/1/N:11,10,13,14,5,16,4,8,6,12,2,9,7,15,17,3,1/rA:17OCNCCCClCClCCCCCNCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:420542;CHEMBL1034756,PMID:19469556,2009.0,PubChemAID:420542;PMID:19469556,2010;2009,0,0;1,0,0,1;0,,=,  5.553;  5.550,5.551,0.002,0.002,2.0,5.551,0.002
-LCJJDFOHUJHXSV_on_Q13224_WT,High,ChEMBL30,CHEMBL4159233,CCOC(=O)CC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1,LCJJDFOHUJHXSV,LCJJDFOHUJHXSV-UHFFFAOYSA-N,"InChI=1S/C28H42N2O3/c1-2-32-27(31)21-25-20-22-8-6-7-11-26(22)28(33-25)14-12-24(13-15-28)30-18-16-29(17-19-30)23-9-4-3-5-10-23/h6-8,11,23-25H,2-5,9-10,12-21H2,1H3","""AuxInfo=1/0/N:1,2,26,25,27,13,12,14,24,28,11,17,31,16,32,21,29,20,30,8,6,9,23,18,7,10,4,15,22,19,5,3,33/E:(4,5)(9,10)(12,13)(14,15)(16,17)(18,19)/rA:33CCOCOCCCCCCCCCCCCCNCCNCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s22;s19s29;s18;s15s31;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4158754,PMID:30350997,2018.0,PMID:30350997,2018,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-LCNJXLYAGWCEJG_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453547;CHEMBL401977,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccncc2)n1,LCNJXLYAGWCEJG,LCNJXLYAGWCEJG-UHFFFAOYSA-N,"InChI=1S/C16H10F3N3/c1-11-9-22-10-13(16(17,18)19)8-15(22)14(21-11)3-2-12-4-6-20-7-5-12/h4-10H,1H3","""AuxInfo=1/0/N:1,15,14,17,21,18,20,11,3,5,2,16,6,13,12,7,8,9,10,19,22,4/E:(4,5)(6,7)(17,18,19)/rA:22CCCNCCCFFFCCCCCCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-LCNUELABLMGVTP_on_P18507_WT,Low,ChEMBL30,CHEMBL1783249,CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N,LCNUELABLMGVTP,LCNUELABLMGVTP-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,17,2,14,20,15,13,19,21,3,18,16,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-LCNUELABLMGVTP_on_P28472_WT,Low,ChEMBL30,CHEMBL1783249,CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N,LCNUELABLMGVTP,LCNUELABLMGVTP-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,17,2,14,20,15,13,19,21,3,18,16,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-LCNUELABLMGVTP_on_P47869_WT,Low,ChEMBL30,CHEMBL1783249,CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N,LCNUELABLMGVTP,LCNUELABLMGVTP-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,17,2,14,20,15,13,19,21,3,18,16,12,11,22,23,10,7,5,24,4,9,8,6/rA:24CCCNCOCNNCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s19;d20;s10s21;s7d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-LCQJTGTYLDIXSS_on_Q05586_WT,Low,ChEMBL30,CHEMBL3633211;CHEMBL3633210,NCC1COCC(c2ccccc2)(C2CCCCC2)O1,LCQJTGTYLDIXSS,LCQJTGTYLDIXSS-UHFFFAOYSA-N,"InChI=1S/C17H25NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2","""AuxInfo=1/0/N:11,17,10,12,16,18,9,13,15,19,2,4,6,8,14,3,7,1,5,20/E:(3,4)(5,6)(7,8)(9,10)/rA:20NCCCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s14;s15;s16;s17;s14s18;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3636231,PMID:26430967,2015.0,PMID:26430967,2015,1,0,0,0,0,,=,  7.750;  7.150,7.45,0.3,0.3,2.0,7.45,0.3
-LCQJTGTYLDIXSS_on_Q12879_WT,Low,ChEMBL30,CHEMBL3633211;CHEMBL3633210,NCC1COCC(c2ccccc2)(C2CCCCC2)O1,LCQJTGTYLDIXSS,LCQJTGTYLDIXSS-UHFFFAOYSA-N,"InChI=1S/C17H25NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13,18H2","""AuxInfo=1/0/N:11,17,10,12,16,18,9,13,15,19,2,4,6,8,14,3,7,1,5,20/E:(3,4)(5,6)(7,8)(9,10)/rA:20NCCCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s14;s15;s16;s17;s14s18;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3636231,PMID:26430967,2015.0,PMID:26430967,2015,1,0,0,0,0,,=,  7.750;  7.150,7.45,0.3,0.3,2.0,7.45,0.3
-LCSRQHMUSYDFAQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112763,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1,LCSRQHMUSYDFAQ,LCSRQHMUSYDFAQ-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O/c1-12-7-15(8-13(2)27-12)20-19-5-6-30-16(10-24)11-29(19)22(28-20)14-3-4-17(21(25)26)18(23)9-14/h3-4,7-9,16,21H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,29,17,18,7,8,3,27,25,11,13,2,28,16,4,10,19,23,6,5,20,15,24,12,21,22,30,26,14,9/E:(1,2)(7,8)(12,13)(25,26)/rA:30CCCCCCCCOCCFCNCCCCCCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s20;s19;s23;s16d23;s5d15;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-LCTFICDJHHHDDW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937611,CC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C,LCTFICDJHHHDDW,LCTFICDJHHHDDW-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-15-14-22(19(23)24-20(15,2)3)18-12-11-17(13-21-18)10-9-16-7-5-4-6-8-16/h4-8,11-13,15H,14H2,1-3H3","""AuxInfo=1/0/N:1,23,24,14,13,15,12,16,10,9,7,6,17,3,2,11,8,5,19,22,18,4,20,21/E:(2,3)(5,6)(7,8)/rA:24CCCNCCCCCCCCCCCCCNCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s5d17;s4;d19;s19;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-LCTKKJOLGDBCEA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108918,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(C)C)c(C)c3)n2)cc(C)n1,LCTKKJOLGDBCEA,LCTKKJOLGDBCEA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O2/c1-15(2)30-23-8-7-20(11-16(23)3)25-27-24(21-12-17(4)26-18(5)13-21)22-9-10-29-19(6)14-28(22)25/h7-8,11-13,15,19H,9-10,14H2,1-6H3","""AuxInfo=1/0/N:21,22,24,1,29,11,16,17,7,8,25,3,27,12,20,23,2,28,10,15,4,6,18,5,14,30,26,13,9,19/E:(1,2)(4,5)(12,13)(17,18)/rA:30CCCCCCCCOCCCNCCCCCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-LCVAMCWKYDWEFZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3980695,CC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1,LCVAMCWKYDWEFZ,LCVAMCWKYDWEFZ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-14-12-20(18(21)13-22-14)17-10-9-16(11-19-17)8-7-15-5-3-2-4-6-15/h2-6,9-11,14H,12-13H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,10,9,7,6,17,3,21,2,11,8,5,19,18,4,20,22/E:(3,4)(5,6)/rA:22CCCNCCCCCCCCCCCCCNCOCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s5d17;s4;d19;s19;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-LCWBRCOWGQXPET_on_P14867_WT,Low,ChEMBL30,CHEMBL3289501,CCCN(CCC)C(=O)c1c2cc3OCOc3cc2ccc1,LCWBRCOWGQXPET,LCWBRCOWGQXPET-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-3-8-19(9-4-2)18(20)14-7-5-6-13-10-16-17(11-15(13)14)22-12-21-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,21,20,22,3,5,18,12,15,19,10,11,17,13,8,4,9,16,14/E:(1,2)(3,4)(8,9)/rA:22CCCNCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;s14;s15;s13s16;d17;s11s18;d19;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  3.991,3.991,0.0,0.0,1.0,3.991,0.0
-LCWBRCOWGQXPET_on_P18507_WT,Low,ChEMBL30,CHEMBL3289501,CCCN(CCC)C(=O)c1c2cc3OCOc3cc2ccc1,LCWBRCOWGQXPET,LCWBRCOWGQXPET-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-3-8-19(9-4-2)18(20)14-7-5-6-13-10-16-17(11-15(13)14)22-12-21-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,21,20,22,3,5,18,12,15,19,10,11,17,13,8,4,9,16,14/E:(1,2)(3,4)(8,9)/rA:22CCCNCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;s14;s15;s13s16;d17;s11s18;d19;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  3.991,3.991,0.0,0.0,1.0,3.991,0.0
-LCWBRCOWGQXPET_on_P47870_WT,Low,ChEMBL30,CHEMBL3289501,CCCN(CCC)C(=O)c1c2cc3OCOc3cc2ccc1,LCWBRCOWGQXPET,LCWBRCOWGQXPET-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-3-8-19(9-4-2)18(20)14-7-5-6-13-10-16-17(11-15(13)14)22-12-21-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,21,20,22,3,5,18,12,15,19,10,11,17,13,8,4,9,16,14/E:(1,2)(3,4)(8,9)/rA:22CCCNCCCCOCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;s14;s15;s13s16;d17;s11s18;d19;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  3.991,3.991,0.0,0.0,1.0,3.991,0.0
-LCYPSUBRHKMZEF_on_P31644_WT,High,ChEMBL30,CHEMBL3681576,Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccccn2)no1,LCYPSUBRHKMZEF,LCYPSUBRHKMZEF-UHFFFAOYSA-N,"InChI=1S/C16H13N3O4/c1-10-12(15(19-23-10)13-4-2-3-7-17-13)9-22-14-6-5-11(8-18-14)16(20)21/h2-8H,9H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,19,17,8,7,20,13,4,2,9,3,16,6,15,10,21,14,22,11,12,5,23/E:(20,21)/rA:23CCCCOCCCCCOOCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s16d20;d15;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-LDBNOIUPISWKPG_on_P41594_WT,High,ChEMBL30,CHEMBL2151633,Cc1cccc(-c2noc(C3CCN3C(=O)c3cc(F)c(F)cc3)n2)c1,LDBNOIUPISWKPG,LDBNOIUPISWKPG-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c1-11-3-2-4-12(9-11)17-22-18(26-23-17)16-7-8-24(16)19(25)13-5-6-14(20)15(21)10-13/h2-6,9-10,16H,7-8H2,1H3","""AuxInfo=1/0/N:1,4,3,5,24,23,12,13,26,18,2,6,17,21,19,11,7,10,15,22,20,25,8,14,16,9/rA:26CCCCCCCNOCCCCNCOCCCFCFCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;s14;d15;s15;d17;s18;s19;d19;s21;s21;s17d23;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-LDDWVJINSMJWQT_on_Q14833_WT,High,ChEMBL30,CHEMBL1346011,O=C(COc1c(Br)cccc1)c1c(O)cc(O)cc1,LDDWVJINSMJWQT,LDDWVJINSMJWQT-UHFFFAOYSA-N,"InChI=1S/C14H11BrO4/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7,16-17H,8H2","""AuxInfo=1/0/N:9,10,8,11,18,19,15,3,16,12,6,13,2,5,7,17,14,1,4/rA:19OCCOCCBrCCCCCCOCCOCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;s13;d15;s16;s16;s12d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925517,PMID:22030026,2011.0,PMID:22030026,2011,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-LDFBJCFKLBQRJB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11574901;CHEMBL225590,CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1,LDFBJCFKLBQRJB,LDFBJCFKLBQRJB-UHFFFAOYSA-N,"InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,5,6,23,19,16,4,9,10,11,8,13,20,7,24,2,15,14,12/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCCCSCONCCCCBrCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s19;s16d21;s15;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  5.903;  5.900,5.902,0.001,0.001,2.0,5.902,0.001
-LDFBJCFKLBQRJB_on_Q13255_WT,High,ChEMBL30,CHEMBL225590,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,LDFBJCFKLBQRJB,LDFBJCFKLBQRJB-UHFFFAOYSA-N,"InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,8,14,19,16,4,5,12,11,6,23,20,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCNCNCCCCBrCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LDGANXQXGRELQE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115553,CCc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OCC1CC1,LDGANXQXGRELQE,LDGANXQXGRELQE-UHFFFAOYSA-N,"InChI=1S/C26H31N3O2/c1-4-20-7-8-22(14-24(20)31-16-19-5-6-19)26-28-25(21-9-11-27-17(2)13-21)23-10-12-30-18(3)15-29(23)26/h7-9,11,13-14,18-19H,4-6,10,12,15-16H2,1-3H3","""AuxInfo=1/0/N:1,15,22,2,30,31,4,5,11,18,12,19,16,25,23,28,14,21,29,3,10,6,17,26,9,7,13,8,24,20,27/E:(5,6)/rA:31CCCCCCCNCCCCNCCCCCCOCCCNCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;s6;s3d25;s26;s27;s28;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LDGHTELTCNTBIY_on_Q13224_WT,High,ChEMBL30,CHEMBL218546,O=C(OCc1ccccc1)N1CCC(Cc2nc3c(cccc3)[nH]2)CC1,LDGHTELTCNTBIY,LDGHTELTCNTBIY-UHFFFAOYSA-N,"InChI=1S/C21H23N3O2/c25-21(26-15-17-6-2-1-3-7-17)24-12-10-16(11-13-24)14-20-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2,(H,22,23)","""AuxInfo=1/1/N:8,7,9,21,22,6,10,20,23,13,25,12,26,15,4,14,5,19,18,16,2,24,17,11,1,3/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(22,23)/rA:26OCOCCCCCCCNCCCCCNCCCCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s16s19;s14;s11s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-LDKBGYQSQSCXNB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930304,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C,LDKBGYQSQSCXNB,LDKBGYQSQSCXNB-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-14-5-6-17(13-20(14)26-4)22-24-21(18-11-15(2)23-16(3)12-18)19-7-9-27-10-8-25(19)22/h5-6,11-13H,7-10H2,1-4H3","""AuxInfo=1/0/N:27,12,15,1,25,24,18,22,19,21,10,16,4,26,11,14,5,9,17,3,8,6,13,7,23,2,20/E:(2,3)(11,12)(15,16)/rA:27COCCCCNCCCCCNCCCCCCOCCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-LDKHAFPYLPDPEG_on_P31644_WT,High,ChEMBL30,CHEMBL3676462,Cc1c(COc2ccc(C(=O)NCCF)cn2)c(-c2ccccc2)no1,LDKHAFPYLPDPEG,LDKHAFPYLPDPEG-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O3/c1-13-16(18(23-26-13)14-5-3-2-4-6-14)12-25-17-8-7-15(11-22-17)19(24)21-10-9-20/h2-8,11H,9-10,12H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,22,21,23,20,24,8,7,14,13,16,4,2,19,9,3,6,18,10,15,12,17,25,11,5,26/E:(3,4)(5,6)/rA:26CCCCOCCCCCONCCFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-LDMGFJUVKKXXDR_on_O15399_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_O60391_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_Q05586_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_Q12879_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_Q13224_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDMGFJUVKKXXDR_on_Q14957_WT,Low,ChEMBL30,CHEMBL356989,O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1,LDMGFJUVKKXXDR,LDMGFJUVKKXXDR-UHFFFAOYSA-N,"InChI=1S/C10H18N6O2/c17-10(18)8-7-16(6-4-11-8)5-2-1-3-9-12-14-15-13-9/h8,11H,1-7H2,(H,17,18)(H,12,13,14,15)","""AuxInfo=1/1/N:9,8,10,17,7,16,5,4,11,2,18,12,15,13,14,6,1,3/E:(12,13)(14,15)(17,18)/rA:18OCOCCNCCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s6;s16;s4s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LDNXCKJQKFHKOR_on_P31644_WT,High,ChEMBL30,CHEMBL3681452,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccncc2)no1,LDNXCKJQKFHKOR,LDNXCKJQKFHKOR-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-13-17(19(24-27-13)15-6-8-21-9-7-15)12-26-18-5-4-16(11-22-18)20(25)23-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,15,16,8,7,21,25,22,24,13,17,4,2,14,20,9,3,6,19,10,23,18,12,26,11,5,27/E:(2,3)(6,7)(8,9)/rA:27CCCCOCCCCCONCCCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-LDPMPCNDVKFVIW_on_P14867_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-LDPMPCNDVKFVIW_on_P18507_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.640;  8.050;  6.800;  7.300,7.1979999999999995,0.5489999999999999,0.317,4.0,7.05,0.33
-LDPMPCNDVKFVIW_on_P28472_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.050;  6.640;  6.800;  7.300,7.1979999999999995,0.5489999999999999,0.317,4.0,7.05,0.33
-LDPMPCNDVKFVIW_on_P31644_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-LDPMPCNDVKFVIW_on_P34903_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-LDPMPCNDVKFVIW_on_P47869_WT,Low,ChEMBL30,CHEMBL178303,O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1,LDPMPCNDVKFVIW,LDPMPCNDVKFVIW-UHFFFAOYSA-N,"InChI=1S/C23H25N5O2/c29-18(27-12-4-5-13-27)14-30-23-20-16-10-8-15(9-11-16)19(20)22-25-24-21(28(22)26-23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2","""AuxInfo=1/0/N:12,11,13,28,29,10,14,22,24,21,25,27,30,3,23,20,9,2,18,19,8,17,5,15,16,6,26,7,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30OCCOCNNCCCCCCCNNCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s7d16;s17;s5d18;s19;s20;s21;s18s22;s23;s20s24;s2;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-LDPOTMPWUSJJPA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44409671;CHEMBL206998,CCCCCOC(=O)N(C)c1cc(OCc2cc(Cl)ccc2)cc(C)c1,LDPOTMPWUSJJPA,LDPOTMPWUSJJPA-UHFFFAOYSA-N,"InChI=1S/C21H26ClNO3/c1-4-5-6-10-25-21(24)23(3)19-11-16(2)12-20(14-19)26-15-17-8-7-9-18(22)13-17/h7-9,11-14H,4-6,10,15H2,1-3H3","""AuxInfo=1/0/N:1,25,10,2,3,4,21,22,20,5,26,23,17,12,15,24,16,18,11,13,7,19,9,8,6,14/rA:26CCCCCOCONCCCCOCCCCClCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s23;s24;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  7.481;  7.480,7.481,0.0,0.0,2.0,7.481,0.0
-LDPYGSGCEMTKOA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3915679,CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)nn2)C1,LDPYGSGCEMTKOA,LDPYGSGCEMTKOA-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-18(2)12-17(22)21(13-18)16-11-10-15(19-20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,10,9,4,22,14,11,8,5,2,20,21,7,6/E:(1,2)(4,5)(6,7)/rA:22CCCCCONCCCCCCCCCCCCNNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-LDQXQPQDTOJKSV_on_P41594_WT,High,ChEMBL30,CHEMBL1779880,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccc1)cc2,LDQXQPQDTOJKSV,LDQXQPQDTOJKSV-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c25-22-20-14-13-18(12-11-17-7-3-1-4-8-17)23-21(20)15-16-24(22)19-9-5-2-6-10-19/h1,3-4,7-8,13-14,19H,2,5-6,9-10,15-16H2","""AuxInfo=1/0/N:21,11,20,22,10,12,19,23,9,13,17,16,24,25,5,6,18,15,8,3,4,2,14,7,1/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCCCCNCCCCCCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,0;1,0,1;0,0,,=,  4.910;  7.400,6.155,1.245,1.245,2.0,6.155,1.245
-LDSZEQFXAQLMOV_on_P14867_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-LDSZEQFXAQLMOV_on_P18507_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.380;  6.520,6.45,0.07,0.07,2.0,6.45,0.07
-LDSZEQFXAQLMOV_on_P28472_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.380;  6.520,6.45,0.07,0.07,2.0,6.45,0.07
-LDSZEQFXAQLMOV_on_P31644_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LDSZEQFXAQLMOV_on_P34903_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-LDSZEQFXAQLMOV_on_P47869_WT,Low,ChEMBL30,CHEMBL297481,c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,LDSZEQFXAQLMOV,LDSZEQFXAQLMOV-UHFFFAOYSA-N,"InChI=1S/C24H20N4O/c1-3-10-18(11-4-1)12-9-17-29-24-21-16-8-7-15-20(21)23-26-25-22(28(23)27-24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2","""AuxInfo=1/0/N:1,16,2,29,15,17,26,25,6,3,28,5,14,18,27,24,7,4,13,22,23,12,21,9,19,20,10,11,8/E:(3,4)(5,6)(10,11)(13,14)/rA:29CCCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LDXAQEAQNGTFAB_on_P14867_WT,Low,ChEMBL30,CHEMBL323805,Oc1c2C=NC3CCN(Cc4ccncc4)CC3c2nn1-c1ccc(Cl)cc1,LDXAQEAQNGTFAB,LDXAQEAQNGTFAB-UHFFFAOYSA-N,"InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,28H,7,10,12-13H2","""AuxInfo=1/0/N:24,27,23,28,12,16,7,13,15,8,4,10,17,11,25,22,3,18,6,19,2,26,14,5,20,9,21,1/E:(1,2)(3,4)(5,6)(8,9)/rA:28OCCCNCCCNCCCCNCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6s17;s3s18;d19;s2s20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.740,9.74,0.0,0.0,1.0,9.74,0.0
-LDXAQEAQNGTFAB_on_P18507_WT,Low,ChEMBL30,CHEMBL323805,Oc1c2C=NC3CCN(Cc4ccncc4)CC3c2nn1-c1ccc(Cl)cc1,LDXAQEAQNGTFAB,LDXAQEAQNGTFAB-UHFFFAOYSA-N,"InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,28H,7,10,12-13H2","""AuxInfo=1/0/N:24,27,23,28,12,16,7,13,15,8,4,10,17,11,25,22,3,18,6,19,2,26,14,5,20,9,21,1/E:(1,2)(3,4)(5,6)(8,9)/rA:28OCCCNCCCNCCCCNCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6s17;s3s18;d19;s2s20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.250;  9.740,9.495,0.245,0.245,2.0,9.495,0.245
-LDXAQEAQNGTFAB_on_P28472_WT,Low,ChEMBL30,CHEMBL323805,Oc1c2C=NC3CCN(Cc4ccncc4)CC3c2nn1-c1ccc(Cl)cc1,LDXAQEAQNGTFAB,LDXAQEAQNGTFAB-UHFFFAOYSA-N,"InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,28H,7,10,12-13H2","""AuxInfo=1/0/N:24,27,23,28,12,16,7,13,15,8,4,10,17,11,25,22,3,18,6,19,2,26,14,5,20,9,21,1/E:(1,2)(3,4)(5,6)(8,9)/rA:28OCCCNCCCNCCCCNCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6s17;s3s18;d19;s2s20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.740;  9.250,9.495,0.245,0.245,2.0,9.495,0.245
-LDXAQEAQNGTFAB_on_P34903_WT,Low,ChEMBL30,CHEMBL323805,Oc1c2C=NC3CCN(Cc4ccncc4)CC3c2nn1-c1ccc(Cl)cc1,LDXAQEAQNGTFAB,LDXAQEAQNGTFAB-UHFFFAOYSA-N,"InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,28H,7,10,12-13H2","""AuxInfo=1/0/N:24,27,23,28,12,16,7,13,15,8,4,10,17,11,25,22,3,18,6,19,2,26,14,5,20,9,21,1/E:(1,2)(3,4)(5,6)(8,9)/rA:28OCCCNCCCNCCCCNCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9;s6s17;s3s18;d19;s2s20;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.250,9.25,0.0,0.0,1.0,9.25,0.0
-LDYVCAGANDILRN_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16659963;CHEMBL394914,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1nc[nH]3)s2,LDYVCAGANDILRN,LDYVCAGANDILRN-UHFFFAOYSA-N,"InChI=1S/C16H8ClN5OS/c17-8-1-3-9(4-2-8)22-7-21-13-11-12-10(19-6-20-12)5-18-15(11)24-14(13)16(22)23/h1-7H,(H,19,20)","""AuxInfo=1/1/N:10,13,9,14,18,22,6,11,8,19,15,20,4,3,16,2,12,17,23,21,5,7,1,24/E:(1,2)(3,4)/rA:24OCCCNCNCCCCClCCCCNCCCNCNS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;d21;s19s22;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:302748;CHEMBL899859,PMID:17929793,2007.0,PubChemAID:302748;PMID:17929793,2010;2007,0;1,0,0,0,1;0,,=,  8.222;  8.220,8.221,0.001,0.001,2.0,8.221,0.001
-LEAKWMBYOQBYEK_on_Q14416_WT,High,ChEMBL30,CHEMBL183911,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCOc1ccc(-c3n[nH]nn3)cc1)c2,LEAKWMBYOQBYEK,LEAKWMBYOQBYEK-UHFFFAOYSA-N,"InChI=1S/C25H26Cl2N4O3/c1-25(17-5-2-3-6-17)14-16-13-19(21(26)22(27)20(16)23(25)32)34-12-4-11-33-18-9-7-15(8-10-18)24-28-30-31-29-24/h7-10,13,17H,2-6,11-12,14H2,1H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,5,6,20,4,7,25,32,24,33,21,19,34,8,26,9,3,23,17,10,15,13,11,27,2,16,14,28,31,29,30,12,22,18/E:(2,3)(5,6)(7,8)(9,10)(28,29)(30,31)/rA:34CCCCCCCCCCCOCClCClCOCCCOCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-LEARICPHDKPGQE_on_O00591_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_O14764_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P14867_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P18505_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P18507_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P28472_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P31644_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P34903_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P41594_WT,High,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  5.750;  5.600,5.675,0.075,0.075,2.0,5.675,0.075
-LEARICPHDKPGQE_on_P47869_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P47870_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P48169_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_P78334_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEARICPHDKPGQE_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410208,Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1,LEARICPHDKPGQE,LEARICPHDKPGQE-UHFFFAOYSA-N,"InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3","""AuxInfo=1/0/N:1,4,5,17,18,3,6,16,19,8,9,12,21,2,7,10,15,11,14,22,20,13/rA:22CCCCCCCCCCCCOCCCCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s20;s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LEBIBPNJIMKQIQ_on_P41594_WT,High,ChEMBL30,CHEMBL2151499,CC1CCCC(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1,LEBIBPNJIMKQIQ,LEBIBPNJIMKQIQ-UHFFFAOYSA-N,"InChI=1S/C19H22ClN3O2/c1-12-4-2-6-14(8-12)19(24)23-10-15(11-23)18-21-17(22-25-18)13-5-3-7-16(20)9-13/h3,5,7,9,12,14-15H,2,4,6,8,10-11H2,1H3","""AuxInfo=1/0/N:1,4,17,3,16,5,18,25,21,10,24,2,15,6,11,19,14,12,7,20,13,22,9,8,23/E:(10,11)/rA:25CCCCCCCONCCCNCCCCCCClCNOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-LEBXQVNFNPRKSC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289955,O=C(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccc(F)cc1,LEBXQVNFNPRKSC,LEBXQVNFNPRKSC-UHFFFAOYSA-N,"InChI=1S/C20H22FNO3/c21-16-5-3-14(4-6-16)19(24)2-1-10-22-11-9-15-12-17(23)7-8-18(15)20(25)13-22/h3-8,12,20,23,25H,1-2,9-11,13H2","""AuxInfo=1/0/N:4,3,20,25,21,24,12,11,8,5,7,15,18,19,9,22,13,10,2,16,23,6,14,1,17/E:(3,4)(5,6)/rA:25OCCCCNCCCCCCCOCCOCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;s10;s16;s6s16;s2;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-LEBXQVNFNPRKSC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289955,O=C(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccc(F)cc1,LEBXQVNFNPRKSC,LEBXQVNFNPRKSC-UHFFFAOYSA-N,"InChI=1S/C20H22FNO3/c21-16-5-3-14(4-6-16)19(24)2-1-10-22-11-9-15-12-17(23)7-8-18(15)20(25)13-22/h3-8,12,20,23,25H,1-2,9-11,13H2","""AuxInfo=1/0/N:4,3,20,25,21,24,12,11,8,5,7,15,18,19,9,22,13,10,2,16,23,6,14,1,17/E:(3,4)(5,6)/rA:25OCCCCNCCCCCCCOCCOCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;s10;s16;s6s16;s2;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-LECKIZBROZNBDM_on_O15399_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_O60391_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_Q05586_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_Q12879_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_Q13224_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LECKIZBROZNBDM_on_Q14957_WT,Low,ChEMBL30,CHEMBL296558,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2,LECKIZBROZNBDM,LECKIZBROZNBDM-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:15,16,14,7,12,8,4,5,10,13,9,2,6,11,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCNCOCClCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LEFGYKMJSALQBS_on_Q14833_WT,High,ChEMBL30,CHEMBL3798945,Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)CC3=O)cc2)nccc1,LEFGYKMJSALQBS,LEFGYKMJSALQBS-UHFFFAOYSA-N,"InChI=1S/C21H17ClN4O2/c22-16-11-15(25-21(28)20-17(23)6-3-9-24-20)7-8-18(16)26-12-14-5-2-1-4-13(14)10-19(26)27/h1-9,11H,10,12,23H2,(H,25,28)","""AuxInfo=1/1/N:17,18,27,16,19,28,24,23,26,20,8,13,15,14,7,9,2,11,21,3,4,10,1,25,6,12,22,5/rA:28NCCCONCCCClCNCCCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s15;s12s20;d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  8.660;  5.660,7.16,1.5,1.5,2.0,7.16,1.5
-LELOVZFYFFNFOU_on_P41594_WT,High,ChEMBL30,CHEMBL3605285,O=C(c1cccc(F)c1F)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,LELOVZFYFFNFOU,LELOVZFYFFNFOU-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O3/c21-12-3-1-4-13(9-12)27-11-18-24-16-7-8-25(10-17(16)28-18)20(26)14-5-2-6-15(22)19(14)23/h1-6,9H,7-8,10-11H2","""AuxInfo=1/0/N:26,5,25,27,4,6,13,12,22,16,19,23,21,3,7,14,15,18,9,2,24,8,10,28,11,1,20,17/rA:28OCCCCCCFCFNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s9;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.210;  6.210,6.21,0.0,0.0,2.0,6.21,0.0
-LENHHZQGSWCZJW_on_O00591_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_O14764_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P14867_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P18505_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P18507_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P28472_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P31644_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P34903_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P47869_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P47870_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P48169_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_P78334_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_Q16445_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENHHZQGSWCZJW_on_Q99928_WT,Low,ChEMBL30,CHEMBL265547,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2,LENHHZQGSWCZJW,LENHHZQGSWCZJW-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-7-10-13(12(8)17)22-15(19-10)20-11-5-3-1-2-4-9(11)18-14(20)21/h6-7,9,11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,21,22,19,4,14,10,17,15,2,12,20,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s19;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LENMNEQXCQXJHV_on_P14867_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-LENMNEQXCQXJHV_on_P18507_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681483;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.100;  6.410;  5.990;  6.500,6.5,0.396,0.22899999999999998,4.0,6.455,0.255
-LENMNEQXCQXJHV_on_P28472_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637;CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.100;  6.500;  5.990;  6.410,6.5,0.396,0.22899999999999998,4.0,6.455,0.255
-LENMNEQXCQXJHV_on_P31644_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-LENMNEQXCQXJHV_on_P34903_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-LENMNEQXCQXJHV_on_P47869_WT,Low,ChEMBL30,CHEMBL413325,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O,LENMNEQXCQXJHV,LENMNEQXCQXJHV-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,9,15,10,14,18,22,19,21,6,8,17,11,7,5,16,25,3,20,23,26,4,12,2/E:(4,5)(6,7)(8,9)(10,11)/rA:26COCOCCCCCCCOCCCCCCCNCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-LEQMVFLCHQFJKY_on_P41594_WT,High,ChEMBL30,CHEMBL3600429,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cnc(C)s2)nc1,LEQMVFLCHQFJKY,LEQMVFLCHQFJKY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)","""AuxInfo=1/1/N:1,23,2,3,10,11,14,26,20,22,13,15,4,19,17,6,8,16,9,21,25,5,18,7,12,24/rA:26CCCCNCOCNCCSCCCClCNCCNCCSNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s19s22;s17;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-LETPPZNSGLCXSE_on_Q14416_WT,High,ChEMBL30,CHEMBL3885379;CHEMBL3884636;CHEMBL3885379;CHEMBL3885379;CHEMBL3884833,FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12,LETPPZNSGLCXSE,LETPPZNSGLCXSE-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2","""AuxInfo=1/0/N:25,26,13,18,14,17,19,20,23,10,8,24,12,9,15,11,6,22,5,29,2,16,1,3,4,27,28,21,7/E:(1,2)(3,4)(5,6)(23,24,25)/rA:29FCFFCCOCCCCCCCCClCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s9s10;s11;d12;s13;d14;s15;s15;s12d17;s6;d19;s20;s21;s22;s23;s24;s24s25;d22;s27;s5s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876538;CHEMBL3876529;CHEMBL3876529;CHEMBL3876535;CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1;1;1;0;1,0,0;0;0;1;0,0,,=,  6.280;  8.890;  8.850;  9.000;  8.400,8.283999999999999,1.023,0.511,5.0,8.85,0.15
-LETPPZNSGLCXSE_on_Q14832_WT,High,ChEMBL30,CHEMBL3885379,FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12,LETPPZNSGLCXSE,LETPPZNSGLCXSE-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2","""AuxInfo=1/0/N:25,26,13,18,14,17,19,20,23,10,8,24,12,9,15,11,6,22,5,29,2,16,1,3,4,27,28,21,7/E:(1,2)(3,4)(5,6)(23,24,25)/rA:29FCFFCCOCCCCCCCCClCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s9s10;s11;d12;s13;d14;s15;s15;s12d17;s6;d19;s20;s21;s22;s23;s24;s24s25;d22;s27;s5s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3876534,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-LETYMEZFWSGGHO_on_P41594_WT,High,ChEMBL30,CHEMBL3907496,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(F)ccc(F)c2)O1,LETYMEZFWSGGHO,LETYMEZFWSGGHO-UHFFFAOYSA-N,"InChI=1S/C20H14F4N2O2/c21-14-3-4-16(22)15(6-14)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)","""AuxInfo=1/1/N:8,9,24,23,6,27,11,15,16,18,7,10,5,25,20,21,4,19,2,12,26,22,13,14,17,3,1,28/E:(7,8)(23,24)/rA:28OCNCCCCCCCCCFFCCNCCCCFCCCFCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;s21;d23;s24;s25;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-LEVYARFEOGGFPR_on_P41594_WT,Low,ChEMBL30,CHEMBL255530,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(NS(C)(=O)=O)cc2)n1,LEVYARFEOGGFPR,LEVYARFEOGGFPR-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O2S/c1-12-10-24-11-14(18(19,20)21)9-17(24)16(22-12)8-5-13-3-6-15(7-4-13)23-27(2,25)26/h3-4,6-7,9-11,23H,1-2H3","""AuxInfo=1/0/N:1,22,17,26,15,18,25,14,11,3,5,2,16,6,19,13,12,7,8,9,10,27,20,4,23,24,21/E:(3,4)(6,7)(19,20,21)(25,26)/CRV:27.6/rA:27CCCNCCCFFFCCCCCCCCCNSCOOCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;s21;d21;d21;s19;s16d25;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-LFAGGDAZZKUVKO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL186453,NC1(C(=O)O)C(OCc2cc(Cl)c(Cl)cc2)CC2C1C2(F)C(=O)O,LFAGGDAZZKUVKO,LFAGGDAZZKUVKO-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:16,15,10,17,8,9,18,13,11,6,19,22,3,20,2,14,12,21,1,23,24,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCClCClCCCCCCFCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s6;s17;s2s18;s18s19;s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2182980;CHEMBL2182979,PMID:22318160,2012.0,PMID:22318160,2012,0;1,0,0,1;0,0,,=,  8.660;  7.700,8.18,0.48,0.48,2.0,8.18,0.48
-LFAGGDAZZKUVKO_on_Q14832_WT,Medium,ChEMBL30,CHEMBL186453,NC1(C(=O)O)C(OCc2cc(Cl)c(Cl)cc2)CC2C1C2(F)C(=O)O,LFAGGDAZZKUVKO,LFAGGDAZZKUVKO-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:16,15,10,17,8,9,18,13,11,6,19,22,3,20,2,14,12,21,1,23,24,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCClCClCCCCCCFCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s6;s17;s2s18;s18s19;s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2182978;CHEMBL2182977,PMID:22318160,2012.0,PMID:22318160,2012,0;1,0,0,1;0,0,,=,  8.350;  7.620,7.985,0.365,0.365,2.0,7.985,0.365
-LFARLDGZRFDKFU_on_Q14833_WT,High,ExCAPE-DB,56587851,Oc1nc(-c2ccccn2)nc2c1ccc(Cl)c2,LFARLDGZRFDKFU,LFARLDGZRFDKFU-UHFFFAOYSA-N,"InChI=1S/C13H8ClN3O/c14-8-4-5-9-11(7-8)16-12(17-13(9)18)10-3-1-2-6-15-10/h1-7H,(H,16,17,18)","""AuxInfo=1/1/N:7,8,6,15,14,9,18,16,13,5,12,4,2,17,10,11,3,1/rA:18OCNCCCCCCNNCCCCCClC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LFBQSYAXEGJIAR_on_P41594_WT,High,ChEMBL30,CHEMBL592959,O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCC1,LFBQSYAXEGJIAR,LFBQSYAXEGJIAR-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19)","""AuxInfo=1/1/N:19,20,4,10,13,9,14,5,18,21,16,3,11,8,6,2,12,15,7,17,1/E:(1,2)(4,5)(6,7)(9,10)/rA:21OCCCCCNCCCCClCCNCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-LFBXLHPMJFDGPK_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628093,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1csnn1,LFBXLHPMJFDGPK,LFBXLHPMJFDGPK-UHFFFAOYSA-N,"InChI=1S/C17H9ClN4O3S/c18-12-7-9(19-15(23)13-8-26-21-20-13)5-6-14(12)22-16(24)10-3-1-2-4-11(10)17(22)25/h1-8H,(H,19,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,4,12,11,19,22,7,2,17,9,20,3,26,25,8,1,18,10,24/E:(1,2)(3,4)(10,11)(16,17)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCSNN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-LFGXHTODSVXJEF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45272149;CHEMBL549319,O=C(c1cnc(C#Cc2ccccc2)cc1)N1CCCCC1,LFGXHTODSVXJEF,LFGXHTODSVXJEF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c22-19(21-13-5-2-6-14-21)17-10-12-18(20-15-17)11-9-16-7-3-1-4-8-16/h1,3-4,7-8,10,12,15H,2,5-6,13-14H2","""AuxInfo=1/0/N:12,20,11,13,19,21,10,14,8,16,7,15,18,22,4,9,3,6,2,5,17,1/E:(3,4)(5,6)(7,8)(13,14)/rA:22OCCCNCCCCCCCCCCCNCCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:420101;CHEMBL1032756,PMID:19443216,2009.0,PubChemAID:420101;PMID:19443216,2010;2009,0,0;1,0,0,1;0,,=,  6.553;  6.550,6.551,0.002,0.002,2.0,6.551,0.002
-LFHKUCYPFAQQRG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112321,CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1Cl,LFHKUCYPFAQQRG,LFHKUCYPFAQQRG-UHFFFAOYSA-N,"InChI=1S/C23H26ClN3O2/c1-5-28-21-7-6-17(12-19(21)24)23-26-22(18-10-14(2)25-15(3)11-18)20-8-9-29-16(4)13-27(20)23/h6-7,10-12,16H,5,8-9,13H2,1-4H3","""AuxInfo=1/0/N:1,14,17,24,2,6,5,20,21,12,18,27,25,13,16,23,7,11,28,19,4,10,8,29,15,9,26,3,22/E:(2,3)(10,11)(14,15)/rA:29CCOCCCCCNCCCCCNCCCCCCOCCCNCCCl/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s23;s8s19s25;s7;s4d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-LFIIBHMPCCWGRP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3932228,CCN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C,LFIIBHMPCCWGRP,LFIIBHMPCCWGRP-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c1-4-24-18(25)23(13-19(24,2)3)17-21-11-15(12-22-17)9-8-14-6-5-7-16(20)10-14/h5-7,10-12H,4,13H2,1-3H3","""AuxInfo=1/0/N:1,24,25,2,15,14,16,12,11,19,9,20,22,13,10,17,7,4,23,18,8,21,6,3,5/E:(2,3)(11,12)(21,22)/rA:25CCNCONCNCCCCCCCCCFCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-LFJUSHODTNRHLQ_on_P14867_WT,Low,ChEMBL30,CHEMBL3616638,CCCc1cc(NC(C)=O)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,LFJUSHODTNRHLQ,LFJUSHODTNRHLQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)","""AuxInfo=1/1/N:1,19,23,9,2,18,22,3,17,25,24,26,5,15,8,4,14,16,13,6,20,11,7,10,12,21/rA:26CCCCCCNCCOCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d8;d6;s11;s11;s13;d14;s15;s16;s17;s18;d16;s20;s21;s22;s20;s14d24;s4d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619100;CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  5.160;  5.750,5.455,0.295,0.295,2.0,5.455,0.295
-LFJUSHODTNRHLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL3616638,CCCc1cc(NC(C)=O)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,LFJUSHODTNRHLQ,LFJUSHODTNRHLQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)","""AuxInfo=1/1/N:1,19,23,9,2,18,22,3,17,25,24,26,5,15,8,4,14,16,13,6,20,11,7,10,12,21/rA:26CCCCCCNCCOCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d8;d6;s11;s11;s13;d14;s15;s16;s17;s18;d16;s20;s21;s22;s20;s14d24;s4d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619100;CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  5.160;  5.750,5.455,0.295,0.295,2.0,5.455,0.295
-LFJUSHODTNRHLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL3616638,CCCc1cc(NC(C)=O)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,LFJUSHODTNRHLQ,LFJUSHODTNRHLQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)","""AuxInfo=1/1/N:1,19,23,9,2,18,22,3,17,25,24,26,5,15,8,4,14,16,13,6,20,11,7,10,12,21/rA:26CCCCCCNCCOCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d8;d6;s11;s11;s13;d14;s15;s16;s17;s18;d16;s20;s21;s22;s20;s14d24;s4d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619100;CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  5.160;  5.750,5.455,0.295,0.295,2.0,5.455,0.295
-LFLICTDWQAOXRZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078781,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)F)c3)-n2cn1,LFLICTDWQAOXRZ,LFLICTDWQAOXRZ-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5O/c1-8-12-5-21-13(17-6-19-21)10-4-9(22-14(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,14H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,16,17,18,8,22,6,20,5,15/E:(15,16)/rA:22CCCCNNCNCCCCCCOCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-LFLICTDWQAOXRZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078781,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)F)c3)-n2cn1,LFLICTDWQAOXRZ,LFLICTDWQAOXRZ-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5O/c1-8-12-5-21-13(17-6-19-21)10-4-9(22-14(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,14H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,16,17,18,8,22,6,20,5,15/E:(15,16)/rA:22CCCCNNCNCCCCCCOCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-LFLICTDWQAOXRZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078781,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)F)c3)-n2cn1,LFLICTDWQAOXRZ,LFLICTDWQAOXRZ-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5O/c1-8-12-5-21-13(17-6-19-21)10-4-9(22-14(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,14H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,16,17,18,8,22,6,20,5,15/E:(15,16)/rA:22CCCCNNCNCCCCCCOCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-LFSPZMNFGGUOND_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485176,O=C1OC2(CCOCC2)CN1Cc1ccc(OCC2CCCCC2)cc1,LFSPZMNFGGUOND,LFSPZMNFGGUOND-UHFFFAOYSA-N,"InChI=1S/C21H29NO4/c23-20-22(16-21(26-20)10-12-24-13-11-21)14-17-6-8-19(9-7-17)25-15-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2","""AuxInfo=1/0/N:22,21,23,20,24,14,26,15,25,5,9,6,8,12,18,10,13,19,16,2,4,11,1,7,17,3/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26OCOCCCOCCCNCCCCCOCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s4;s2s10;s11;s12;d13;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-LFTZCWPTTSCQRD_on_P41594_WT,High,ChEMBL30,CHEMBL257882,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(Br)ccc2)n1,LFTZCWPTTSCQRD,LFTZCWPTTSCQRD-UHFFFAOYSA-N,"InChI=1S/C17H10BrF3N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-14(18)7-12/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,21,22,20,15,14,17,11,3,5,2,16,6,18,13,12,7,19,8,9,10,23,4/E:(19,20,21)/rA:23CCCNCCCFFFCCCCCCCCBrCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;d18;s20;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-LFUPTQIEOBBAJE_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,16659802;CHEMBL236180;CHEMBL241327,CC1CNc2c(cnc3c2c2c(s3)c(=O)n(-c3ccc(Cl)cc3)cn2)O1,LFUPTQIEOBBAJE,LFUPTQIEOBBAJE-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3","""AuxInfo=1/0/N:1,19,22,18,23,3,7,24,2,20,17,6,10,5,11,12,9,14,21,4,8,25,16,15,26,13/E:(2,3)(4,5)/rA:26CCCNCCCNCCCCSCONCCCCClCCCNO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:302748;CHEMBL899859;CHEMBL899859,PMID:17929793,2007.0,PubChemAID:302748;PMID:17929793;PMID:17929793,2010;2007;2007,0;1;1,0,0,0,1;0;0,,=,  8.854;  8.660;  8.850,8.788,0.091,0.064,3.0,8.85,0.004
-LFUXIUBCWODHDF_on_O15399_WT,Low,ChEMBL30,CHEMBL371669;CHEMBL196080;CHEMBL196080;CHEMBL197106;CHEMBL193323;CHEMBL197106;CHEMBL197106;CHEMBL371669;CHEMBL193323;CHEMBL196080;CHEMBL193323,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL828706;CHEMBL828706;CHEMBL828290;CHEMBL828180;CHEMBL828291;CHEMBL828290;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;0;1;1;1;0;1;0;0,0,0,0;0;0;1;0;0;0;1;0;1;1,0,,=,  3.921;  3.959;  3.614;  4.960;  4.850;  3.377;  3.854;  6.140;  4.540;  5.240;  5.660,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_O60391_WT,Low,ChEMBL30,CHEMBL371669;CHEMBL196080;CHEMBL196080;CHEMBL197106;CHEMBL197106;CHEMBL197106;CHEMBL371669;CHEMBL196080;CHEMBL193323;CHEMBL193323;CHEMBL193323,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL828706;CHEMBL828290;CHEMBL828706;CHEMBL828290;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828180;CHEMBL828180;CHEMBL828291;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;1;1;0;0;0;0;1;1,0,0,0;0;0;0;0;1;1;1;1;0;0,0,,=,  3.921;  3.614;  3.959;  3.377;  3.854;  4.960;  6.140;  5.240;  5.660;  4.850;  4.540,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL197106;CHEMBL196080;CHEMBL196080;CHEMBL371669;CHEMBL197106;CHEMBL193323;CHEMBL193323;CHEMBL193323;CHEMBL371669;CHEMBL196080;CHEMBL197106,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL828290;CHEMBL828290;CHEMBL828706;CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;1;1;1;1;0;0;0;0,0,0,0;0;0;0;0;0;0;1;1;1;1,0,,=,  3.377;  3.614;  3.959;  3.921;  3.854;  4.850;  4.540;  5.660;  6.140;  5.240;  4.960,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_Q05586_WT,Low,ChEMBL30,CHEMBL193323;CHEMBL196080;CHEMBL197106;CHEMBL193323;CHEMBL193323;CHEMBL371669;CHEMBL197106;CHEMBL371669;CHEMBL196080;CHEMBL196080;CHEMBL197106,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828706;CHEMBL828290;CHEMBL828290,PMID:15837299,2005.0,PMID:15837299,2005,1;0;0;1;0;0;1;1;1;1;1,0,0,0;1;1;0;1;1;0;0;0;0;0,0,,=,  4.850;  5.240;  4.960;  4.540;  5.660;  6.140;  3.854;  3.921;  3.959;  3.614;  3.377,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_Q12879_WT,Low,ChEMBL30,CHEMBL193323;CHEMBL196080;CHEMBL197106;CHEMBL193323;CHEMBL193323;CHEMBL371669;CHEMBL197106;CHEMBL197106;CHEMBL196080;CHEMBL371669;CHEMBL196080,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828290;CHEMBL828290;CHEMBL828706;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,1;0;0;1;0;0;1;1;1;1;1,0,0,0;1;1;0;1;1;0;0;0;0;0,0,,=,  4.850;  5.240;  4.960;  4.540;  5.660;  6.140;  3.854;  3.377;  3.614;  3.921;  3.959,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_Q13224_WT,Low,ChEMBL30,CHEMBL197106;CHEMBL197106;CHEMBL371669;CHEMBL196080;CHEMBL193323;CHEMBL193323;CHEMBL193323;CHEMBL196080;CHEMBL371669;CHEMBL197106;CHEMBL196080,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828290;CHEMBL828706;CHEMBL828706;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828180;CHEMBL828290,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;1;1;0;1;0;0;0;1,0,0,0;0;0;0;0;1;0;1;1;1;0,0,,=,  3.377;  3.854;  3.921;  3.959;  4.540;  5.660;  4.850;  5.240;  6.140;  4.960;  3.614,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFUXIUBCWODHDF_on_Q14957_WT,Low,ChEMBL30,CHEMBL197106;CHEMBL197106;CHEMBL196080;CHEMBL196080;CHEMBL371669;CHEMBL197106;CHEMBL193323;CHEMBL193323;CHEMBL193323;CHEMBL371669;CHEMBL196080,COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1,LFUXIUBCWODHDF,LFUXIUBCWODHDF-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,18,21,5,24,4,25,13,12,15,22,9,6,14,3,23,10,7,16,19,11,8,2,17,20/E:(4,5)(6,7)/rA:25COCCCCCOCCNCCCCCOCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s10;s11;s12;s13;d14;s15;s16;s17;d16;s19;s20;s19;s10s14d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL828706;CHEMBL828290;CHEMBL828290;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;1;1;0;1;0;1;0;0,0,0,0;0;0;0;0;1;0;1;0;1;1,0,,=,  3.854;  3.377;  3.614;  3.959;  3.921;  4.960;  4.540;  5.660;  4.850;  6.140;  5.240,4.556,0.851,0.26899999999999996,11.0,4.54,0.6859999999999999
-LFWNCDNFYFPIPT_on_P18507_WT,Low,ChEMBL30,CHEMBL1783267,CCN1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,LFWNCDNFYFPIPT,LFWNCDNFYFPIPT-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)","""AuxInfo=1/1/N:1,20,25,2,13,14,12,21,22,17,4,18,15,11,16,5,23,6,9,26,7,10,27,3,8,19,24/rA:27CCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;d14;s15;d16;s17;s18;s19;d18;s21;s16d22;s23;s24;s11s15;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-LFWNCDNFYFPIPT_on_P28472_WT,Low,ChEMBL30,CHEMBL1783267,CCN1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,LFWNCDNFYFPIPT,LFWNCDNFYFPIPT-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)","""AuxInfo=1/1/N:1,20,25,2,13,14,12,21,22,17,4,18,15,11,16,5,23,6,9,26,7,10,27,3,8,19,24/rA:27CCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;d14;s15;d16;s17;s18;s19;d18;s21;s16d22;s23;s24;s11s15;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-LFWNCDNFYFPIPT_on_P47869_WT,Low,ChEMBL30,CHEMBL1783267,CCN1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,LFWNCDNFYFPIPT,LFWNCDNFYFPIPT-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)","""AuxInfo=1/1/N:1,20,25,2,13,14,12,21,22,17,4,18,15,11,16,5,23,6,9,26,7,10,27,3,8,19,24/rA:27CCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;d14;s15;d16;s17;s18;s19;d18;s21;s16d22;s23;s24;s11s15;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-LFZFMMSGWDUXGJ_on_P41594_WT,High,ChEMBL30,CHEMBL361556,Nc1ncc(Cl)nc1C(=O)Nc1ncccc1,LFZFMMSGWDUXGJ,LFZFMMSGWDUXGJ-UHFFFAOYSA-N,"InChI=1S/C10H8ClN5O/c11-6-5-14-9(12)8(15-6)10(17)16-7-3-1-2-4-13-7/h1-5H,(H2,12,14)(H,13,16,17)","""AuxInfo=1/1/N:16,15,17,14,4,5,12,8,2,9,6,1,13,3,7,11,10/rA:17NCNCCClNCCONCNCCCC/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LGBOWZXTAPZTCG_on_O15399_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_O60391_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_Q12879_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_Q13224_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGBOWZXTAPZTCG_on_Q14957_WT,Low,ChEMBL30,CHEMBL3219496,CCNCCC(=O)NCCC(=O)O,LGBOWZXTAPZTCG,LGBOWZXTAPZTCG-UHFFFAOYSA-N,"InChI=1S/C8H16N2O3/c1-2-9-5-3-7(11)10-6-4-8(12)13/h9H,2-6H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,2,5,10,4,9,6,11,3,8,7,12,13/E:(12,13)/rA:13CCNCCCONCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-LGCIZDYPKPLDMP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,23725809;CHEMBL611050;CHEMBL595712;CHEMBL593140;CHEMBL611050;CHEMBL593140;CHEMBL595712,CCC1CCCN(C(=O)c2cc(Cl)c(Nc3cnc(C)cc3)nc2)C1,LGCIZDYPKPLDMP,LGCIZDYPKPLDMP-UHFFFAOYSA-N,"InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)","""AuxInfo=1/1/N:1,20,2,5,4,21,22,6,11,24,17,25,19,3,10,16,12,14,8,13,18,23,15,7,9/rA:25CCCCCCNCOCCCClCNCCNCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s15;d16;s17;d18;s19;s19;s16d21;s14;s10d23;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451780;CHEMBL1065282;CHEMBL1065281;CHEMBL1065281;CHEMBL1065281;CHEMBL1065282;CHEMBL1065282,PMID:19931453,2010.0,PubChemAID:451780;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453,2010,0;1;1;1;1;1;1,0,0,0,1;0;0;0;0;0;0,,=,  7.161;  7.320;  7.400;  7.400;  7.190;  7.160;  6.960,7.227,0.146,0.06,7.0,7.19,0.13
-LGDMWBIEOXGSFK_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628089,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cncs1,LGDMWBIEOXGSFK,LGDMWBIEOXGSFK-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O3S/c19-13-7-10(21-16(23)15-8-20-9-26-15)5-6-14(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,25,4,12,11,19,7,22,2,17,9,20,24,3,8,1,18,10,26/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCNCS/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-LGEDWHYKQYAEIV_on_Q13255_WT,High,ChEMBL30,CHEMBL3786977,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)c4c(cccc4)C3(C)C)cc2)occ1,LGEDWHYKQYAEIV,LGEDWHYKQYAEIV-UHFFFAOYSA-N,"InChI=1S/C22H19ClN2O3/c1-13-10-11-28-19(13)20(26)24-14-8-9-18(17(23)12-14)25-21(27)15-6-4-5-7-16(15)22(25,2)3/h4-12H,1-3H3,(H,24,26)","""AuxInfo=1/1/N:1,22,23,19,18,20,17,25,24,28,27,8,2,7,15,16,9,11,3,4,13,21,10,6,12,5,14,26/E:(2,3)/rA:28CCCCONCCCClCNCOCCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;s21;s21;s11;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.160;  5.150,5.155,0.005,0.005,2.0,5.155,0.005
-LGGQAFOBZFUFIL_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771676;CHEMBL1771675,Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)ccc1,LGGQAFOBZFUFIL,LGGQAFOBZFUFIL-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3","""AuxInfo=1/0/N:1,11,12,23,19,24,18,20,22,10,13,3,2,17,4,9,5,8,15,21,6,14,16,7/E:(7,8)/rA:24CCCCCNOCCCCCCNCOCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;s17;s18;s17s19;s5d8;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  6.520;  6.300,6.41,0.11,0.11,2.0,6.41,0.11
-LGIMDWHICRDCBI_on_Q13224_WT,Medium,ChEMBL30,CHEMBL161871,N=C(NCc1cc(Cl)ccc1)c1ccc(Cl)cc1,LGIMDWHICRDCBI,LGIMDWHICRDCBI-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2N2/c15-12-6-4-11(5-7-12)14(17)18-9-10-2-1-3-13(16)8-10/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:10,11,9,13,18,14,17,6,4,5,12,15,7,2,16,8,1,3/E:(4,5)(6,7)/rA:18NCNCCCCClCCCCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  6.800;  7.200,7.0,0.2,0.2,2.0,7.0,0.2
-LGPNUUFCZUGJOR_on_P31644_WT,High,ChEMBL30,CHEMBL3681575,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccccn2)no1,LGPNUUFCZUGJOR,LGPNUUFCZUGJOR-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3S/c1-14-16(19(23-27-14)17-4-2-3-7-21-17)13-26-18-6-5-15(12-22-18)20(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,23,24,22,8,7,25,13,17,14,16,18,4,2,9,3,21,6,20,10,26,19,27,12,11,5,28,15/E:(8,9)(10,11)/rA:28CCCCOCCCCCONCCSCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-LGQHBIWTYQRROZ_on_P14867_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678328,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.509,3.509,0.0,0.0,1.0,3.509,0.0
-LGQHBIWTYQRROZ_on_P18507_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681247;CHEMBL682250;CHEMBL678328;CHEMBL683044;CHEMBL682901;CHEMBL679477,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.222;  3.523;  3.509;  3.337;  3.469;  3.377,3.406,0.106,0.048,6.0,3.423,0.086
-LGQHBIWTYQRROZ_on_P28472_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL679477;CHEMBL682901;CHEMBL678328;CHEMBL683044;CHEMBL682250;CHEMBL681247,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.377;  3.469;  3.509;  3.337;  3.523;  3.222,3.406,0.106,0.048,6.0,3.423,0.086
-LGQHBIWTYQRROZ_on_P31644_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679477,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.377,3.377,0.0,0.0,1.0,3.377,0.0
-LGQHBIWTYQRROZ_on_P34903_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682250,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LGQHBIWTYQRROZ_on_P47869_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681247,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.222,3.222,0.0,0.0,1.0,3.222,0.0
-LGQHBIWTYQRROZ_on_P48169_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL682901,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.469,3.469,0.0,0.0,1.0,3.469,0.0
-LGQHBIWTYQRROZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL41905,CP(=O)(O)C1CCNCC1,LGQHBIWTYQRROZ,LGQHBIWTYQRROZ-UHFFFAOYSA-N,"InChI=1S/C6H14NO2P/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,6,10,7,9,5,8,3,4,2/E:(2,3)(4,5)(8,9)/rA:10CPOOCCCNCC/rB:s1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683044,PMID:11412984,2001.0,PMID:11412984,2001,0,0,0,1,0,,=,  3.337,3.3369999999999997,0.0,0.0,1.0,3.3369999999999997,0.0
-LGRDMLGTOXSFFH_on_O15399_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_O60391_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_Q05586_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_Q12879_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_Q13224_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRDMLGTOXSFFH_on_Q14957_WT,Low,ChEMBL30,CHEMBL338523,CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1,LGRDMLGTOXSFFH,LGRDMLGTOXSFFH-UHFFFAOYSA-N,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3","""AuxInfo=1/0/N:1,9,10,12,17,13,16,7,2,11,14,4,8,15,3,5,6/E:(2,3)(4,5)(6,7)/rA:17CCNCOOCCCCCCCCClCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s8;s8;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-LGRLTPDQTZIRIY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3931730,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)c3nsnc3)C1)cc2,LGRLTPDQTZIRIY,LGRLTPDQTZIRIY-UHFFFAOYSA-N,"InChI=1S/C23H32N6O2S/c1-22(2,3)13-29-17-8-7-15(25-19(17)28(6)21(29)31)14-9-10-23(4,5)18(11-14)26-20(30)16-12-24-32-27-16/h7-8,12,14,18H,9-11,13H2,1-6H3,(H,26,30)","""AuxInfo=1/1/N:8,9,10,19,20,1,31,32,16,17,30,29,6,15,14,25,11,21,12,23,3,7,18,28,13,22,26,2,5,24,4,27/E:(1,2,3)(4,5)/rA:32CNCONCCCCCCCNCCCCCCCCNCOCNSNCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s18;s18;s21;s22;d23;s23;d25;s26;s27;s25d28;s15s21;s14;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-LGRQUGHDTPHNOB_on_P14867_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LGRQUGHDTPHNOB_on_P18507_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682711;CHEMBL680434;CHEMBL680672;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720;  7.890;  8.680;  7.960,8.062000000000001,0.36700000000000005,0.212,4.0,7.925,0.12
-LGRQUGHDTPHNOB_on_P28472_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682711;CHEMBL677036;CHEMBL680672;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720;  7.960;  8.680;  7.890,8.062000000000001,0.36700000000000005,0.212,4.0,7.925,0.12
-LGRQUGHDTPHNOB_on_P31644_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-LGRQUGHDTPHNOB_on_P34903_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-LGRQUGHDTPHNOB_on_P47869_WT,Low,ChEMBL30,CHEMBL318370,CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1,LGRQUGHDTPHNOB,LGRQUGHDTPHNOB-UHFFFAOYSA-N,"InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3","""AuxInfo=1/0/N:1,10,2,20,21,17,16,11,8,19,9,13,12,14,6,4,5,18,15,7,3/rA:21CCSCCCOCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-LGSILYYIMNHYCP_on_O00591_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_O14764_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_P14867_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615;CHEMBL822162;CHEMBL678329;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9651158;PMID:10633039;PMID:9435905,2010;1998;2000;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  6.460;  6.460;  6.460;  6.370,6.438,0.039,0.022000000000000002,4.0,6.46,0.0
-LGSILYYIMNHYCP_on_P18505_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_P18507_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822162;CHEMBL1273617;CHEMBL1273616;CHEMBL1273619;CHEMBL1273615;CHEMBL678329;CHEMBL650075;CHEMBL1273620,PMID:9435905,1997.0,PMID:9651158;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:10633039;PMID:9435905;PMID:20888240,1998;2010;2010;2010;2010;2000;1997;2010,0;0;0;0;0;0;1;0,0,0,1;1;1;1;1;1;0;1,0,,=,  6.460;  5.520;  5.520;  5.520;  6.460;  6.460;  6.370;  5.000,5.914,0.5479999999999999,0.207,8.0,5.945,0.47
-LGSILYYIMNHYCP_on_P28472_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL822162;CHEMBL650075;CHEMBL1273619;CHEMBL1273620;CHEMBL1273617;CHEMBL1273616;CHEMBL1273615,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:9435905;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240,2000;1998;1997;2010;2010;2010;2010;2010,0;0;1;0;0;0;0;0,0,0,1;1;0;1;1;1;1;1,0,,=,  6.460;  6.460;  6.370;  5.520;  5.000;  5.520;  5.520;  6.460,5.914,0.5479999999999999,0.207,8.0,5.945,0.47
-LGSILYYIMNHYCP_on_P31644_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  5.520;  6.370,5.945,0.425,0.425,2.0,5.945,0.425
-LGSILYYIMNHYCP_on_P34903_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  5.520;  6.370,5.945,0.425,0.425,2.0,5.945,0.425
-LGSILYYIMNHYCP_on_P47869_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  5.520;  6.370,5.945,0.425,0.425,2.0,5.945,0.425
-LGSILYYIMNHYCP_on_P47870_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_P48169_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_P78334_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSILYYIMNHYCP_on_Q16445_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075;CHEMBL1273620,PMID:9435905,1997.0,PMID:9435905;PMID:20888240,1997;2010,1;0,0,0,0;1,0,,=,  6.370;  5.000,5.685,0.685,0.685,2.0,5.685,0.685
-LGSILYYIMNHYCP_on_Q99928_WT,Low,ChEMBL30,CHEMBL87641,CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1,LGSILYYIMNHYCP,LGSILYYIMNHYCP-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,17,4,5,19,9,2,13,18,12,10,7,8,11,6/E:(1,2)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LGSJDCJXTBKTQK_on_Q14833_WT,High,ChEMBL30,CHEMBL565748,NC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)cc(Cl)c1,LGSJDCJXTBKTQK,LGSJDCJXTBKTQK-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2N2O2/c15-8-5-9(16)7-10(6-8)18-14(20)12-4-2-1-3-11(12)13(17)19/h1-2,5-7,11-12H,3-4H2,(H2,17,19)(H,18,20)","""AuxInfo=1/1/N:6,7,5,8,17,14,20,15,18,13,4,9,2,10,16,19,1,12,3,11/E:(6,7)(8,9)(15,16)/rA:20NCOCCCCCCCONCCCClCCClC/rB:s1;d2;s2;s4;s5;w?6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-LGSORWLWDBCUMM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL140197,NC(C(=O)O)C1C(O)C1C(=O)O,LGSORWLWDBCUMM,LGSORWLWDBCUMM-UHFFFAOYSA-N,"InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,2,7,10,3,1,8,11,12,4,5/E:(9,10)(11,12)/rA:12NCCOOCCOCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s7;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL714443,PMID:14711315,2004.0,PMID:14711315,2004,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LGSORWLWDBCUMM_on_Q14832_WT,Medium,ChEMBL30,CHEMBL140197,NC(C(=O)O)C1C(O)C1C(=O)O,LGSORWLWDBCUMM,LGSORWLWDBCUMM-UHFFFAOYSA-N,"InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,2,7,10,3,1,8,11,12,4,5/E:(9,10)(11,12)/rA:12NCCOOCCOCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s7;s9;d10;s10;/rC:;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL714802,PMID:14711315,2004.0,PMID:14711315,2004,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LGUFTKSMTYDGRD_on_P41594_WT,High,ChEMBL30,CHEMBL3702365,COc1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21,LGUFTKSMTYDGRD,LGUFTKSMTYDGRD-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-8-7-14(20-21)15-10-16-12-4-3-5-17(24-2)13(12)6-9-22(16)18(23)11-19-15/h3-5,7-8,10H,6,9,11H2,1-2H3","""AuxInfo=1/0/N:20,1,5,6,4,9,22,21,10,23,14,7,8,17,16,24,3,12,15,18,19,11,13,2/rA:24COCCCCCCCCNCOCNCCNNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;s19;s19;s17d21;s16;s7s11w?23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-LGUFTKSMTYDGRD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702365,COc1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21,LGUFTKSMTYDGRD,LGUFTKSMTYDGRD-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-8-7-14(20-21)15-10-16-12-4-3-5-17(24-2)13(12)6-9-22(16)18(23)11-19-15/h3-5,7-8,10H,6,9,11H2,1-2H3","""AuxInfo=1/0/N:20,1,5,6,4,9,22,21,10,23,14,7,8,17,16,24,3,12,15,18,19,11,13,2/rA:24COCCCCCCCCNCOCNCCNNCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;s19;s19;s17d21;s16;s7s11w?23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-LGVSTMMXQNJXTQ_on_P41594_WT,High,ChEMBL30,CHEMBL2153786,Cc1nc(NC(=O)c2nc(C)cc3c2[nH]c(-c2cnccc2)c3)ccc1,LGVSTMMXQNJXTQ,LGVSTMMXQNJXTQ-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-12-5-3-7-17(22-12)25-20(26)19-18-15(9-13(2)23-19)10-16(24-18)14-6-4-8-21-11-14/h3-11,24H,1-2H3,(H,22,25,26)","""AuxInfo=1/1/N:1,11,25,21,26,22,24,20,12,23,18,2,10,17,13,16,4,14,8,6,19,3,9,15,5,7/rA:26CCNCNCOCNCCCCCNCCCNCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-LGWIMMOJBXEMBA_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL175463;11232687,COC1CCC(C(=O)c2ccc3nc4SCCc4cc3c2)CC1,LGWIMMOJBXEMBA,LGWIMMOJBXEMBA-UHFFFAOYSA-N,"InChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3","""AuxInfo=1/0/N:1,5,22,10,4,23,11,17,16,21,19,6,9,18,20,3,12,7,14,13,8,2,15/E:(2,3)(5,6)/rA:23COCCCCCOCCCCNCSCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s15;s16;s14s17;d18;s12s19;s9d20;s6;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  8.700;  8.699,8.7,0.001,0.001,2.0,8.7,0.0
-LHDPGSHJSSZMRH_on_P14867_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-LHDPGSHJSSZMRH_on_P18507_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111449;CHEMBL1111451;CHEMBL1111450;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.270;  6.390;  6.390;  8.300,6.837999999999999,0.846,0.488,4.0,6.39,0.06
-LHDPGSHJSSZMRH_on_P28472_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111450;CHEMBL1111451;CHEMBL1111448;CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.390;  6.390;  8.300;  6.270,6.837000000000001,0.846,0.488,4.0,6.39,0.06
-LHDPGSHJSSZMRH_on_P31644_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-LHDPGSHJSSZMRH_on_P34903_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-LHDPGSHJSSZMRH_on_P47869_WT,Low,ChEMBL30,CHEMBL1080398,Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1,LHDPGSHJSSZMRH,LHDPGSHJSSZMRH-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5/c1-10-15-8-23-17(20-16(21-23)6-11-2-3-11)13-7-12(18)4-5-14(13)22(15)9-19-10/h4-5,7,9,11H,2-3,6,8H2,1H3","""AuxInfo=1/0/N:1,10,11,17,16,8,20,4,22,2,9,18,14,15,3,7,13,19,23,12,6,21,5/E:(2,3)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9s10;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-LHGSGTVATLBNGO_on_P14867_WT,Low,ChEMBL30,CHEMBL487688,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LHGSGTVATLBNGO,LHGSGTVATLBNGO-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)","""AuxInfo=1/1/N:6,7,22,5,8,23,15,14,21,17,24,3,19,26,4,16,18,12,9,13,2,10,20,25,1,11/E:(1,2)(4,5)/rA:26OCCCCCCCCCOCCCCCCCCNCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-LHGSGTVATLBNGO_on_P18507_WT,Low,ChEMBL30,CHEMBL487688,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LHGSGTVATLBNGO,LHGSGTVATLBNGO-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)","""AuxInfo=1/1/N:6,7,22,5,8,23,15,14,21,17,24,3,19,26,4,16,18,12,9,13,2,10,20,25,1,11/E:(1,2)(4,5)/rA:26OCCCCCCCCCOCCCCCCCCNCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-LHGSGTVATLBNGO_on_P47870_WT,Low,ChEMBL30,CHEMBL487688,O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LHGSGTVATLBNGO,LHGSGTVATLBNGO-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)","""AuxInfo=1/1/N:6,7,22,5,8,23,15,14,21,17,24,3,19,26,4,16,18,12,9,13,2,10,20,25,1,11/E:(1,2)(4,5)/rA:26OCCCCCCCCCOCCCCCCCCNCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;s10;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s13;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-LHHAMCVPALNXOF_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL549330;4644726,O=C(Nc1cc(Cl)c(Cl)cc1)c1ncccc1,LHHAMCVPALNXOF,LHHAMCVPALNXOF-UHFFFAOYSA-N,"InChI=1S/C12H8Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h1-7H,(H,16,17)","""AuxInfo=1/1/N:16,15,17,11,10,14,5,4,8,6,12,2,9,7,13,3,1/rA:17OCNCCCClCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756;PubChemAID:2197,PMID:19469556,2009.0,PMID:19469556;PubChemAID:2197,2009,0,1;0,0,0,0;1,,=,  5.850;  5.863,5.857,0.006999999999999999,0.006999999999999999,2.0,5.857,0.006999999999999999
-LHIIZLLVSPVGMS_on_P41594_WT,High,ChEMBL30,CHEMBL2069386,O=C1CC(c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(Cl)c(Cl)c1,LHIIZLLVSPVGMS,LHIIZLLVSPVGMS-UHFFFAOYSA-N,"InChI=1S/C18H12Cl3N3O2/c19-12-3-1-10(2-4-12)17-22-18(26-23-17)11-7-16(25)24(9-11)13-5-6-14(20)15(21)8-13/h1-6,8,11H,7,9H2","""AuxInfo=1/0/N:9,14,10,13,20,21,3,26,17,8,4,11,19,22,24,2,7,5,12,23,25,6,15,18,1,16/E:(1,2)(3,4)/rA:26OCCCCNCCCCCClCCNOCNCCCCClCClC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-LHJXXKZBWKIDFU_on_P18507_WT,Low,ChEMBL30,CHEMBL577510,Clc1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,LHJXXKZBWKIDFU,LHJXXKZBWKIDFU-UHFFFAOYSA-N,"InChI=1S/C14H9ClN4/c15-14-12-5-9-6-16-7-17-13(9)10-3-1-2-4-11(10)19(12)8-18-14/h1-4,6-8H,5H2","""AuxInfo=1/0/N:15,14,16,13,4,10,8,18,5,11,12,3,6,2,1,9,7,19,17/rA:19ClCCCCCNCNCCCCCCCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s11d15;s3s12;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LHJXXKZBWKIDFU_on_P28472_WT,Low,ChEMBL30,CHEMBL577510,Clc1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,LHJXXKZBWKIDFU,LHJXXKZBWKIDFU-UHFFFAOYSA-N,"InChI=1S/C14H9ClN4/c15-14-12-5-9-6-16-7-17-13(9)10-3-1-2-4-11(10)19(12)8-18-14/h1-4,6-8H,5H2","""AuxInfo=1/0/N:15,14,16,13,4,10,8,18,5,11,12,3,6,2,1,9,7,19,17/rA:19ClCCCCCNCNCCCCCCCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s11d15;s3s12;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LHJXXKZBWKIDFU_on_P31644_WT,Low,ChEMBL30,CHEMBL577510,Clc1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1,LHJXXKZBWKIDFU,LHJXXKZBWKIDFU-UHFFFAOYSA-N,"InChI=1S/C14H9ClN4/c15-14-12-5-9-6-16-7-17-13(9)10-3-1-2-4-11(10)19(12)8-18-14/h1-4,6-8H,5H2","""AuxInfo=1/0/N:15,14,16,13,4,10,8,18,5,11,12,3,6,2,1,9,7,19,17/rA:19ClCCCCCNCNCCCCCCCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s11d15;s3s12;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LHKDIYKHGIOMPL_on_P18507_WT,Low,ChEMBL30,CHEMBL1631468,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2,LHKDIYKHGIOMPL,LHKDIYKHGIOMPL-UHFFFAOYSA-N,"InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)","""AuxInfo=1/1/N:1,2,22,18,23,21,3,17,19,10,14,8,11,7,15,5,9,16,20,4,12,13,6/E:(8,9)(18,19)/rA:23CCCNCOCCNCCNNCCNCCCNCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1638615;CHEMBL1638618;CHEMBL1638616;CHEMBL1638614,PMID:20980155,2010.0,PMID:20980155,2010,0,1;0;1;1,0,0;1;0;0,0,,=,  6.420;  6.420;  5.950;  6.980,6.443,0.365,0.21100000000000002,4.0,6.42,0.235
-LHKDIYKHGIOMPL_on_P28472_WT,Low,ChEMBL30,CHEMBL1631468,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2,LHKDIYKHGIOMPL,LHKDIYKHGIOMPL-UHFFFAOYSA-N,"InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)","""AuxInfo=1/1/N:1,2,22,18,23,21,3,17,19,10,14,8,11,7,15,5,9,16,20,4,12,13,6/E:(8,9)(18,19)/rA:23CCCNCOCCNCCNNCCNCCCNCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1638618;CHEMBL1638615;CHEMBL1638614;CHEMBL1638616,PMID:20980155,2010.0,PMID:20980155,2010,0,0;1;1;1,0,1;0;0;0,0,,=,  6.420;  6.420;  6.980;  5.950,6.442,0.365,0.21100000000000002,4.0,6.42,0.235
-LHKDIYKHGIOMPL_on_P31644_WT,Low,ChEMBL30,CHEMBL1631468,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2,LHKDIYKHGIOMPL,LHKDIYKHGIOMPL-UHFFFAOYSA-N,"InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)","""AuxInfo=1/1/N:1,2,22,18,23,21,3,17,19,10,14,8,11,7,15,5,9,16,20,4,12,13,6/E:(8,9)(18,19)/rA:23CCCNCOCCNCCNNCCNCCCNCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1638616,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-LHKDIYKHGIOMPL_on_P34903_WT,Low,ChEMBL30,CHEMBL1631468,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2,LHKDIYKHGIOMPL,LHKDIYKHGIOMPL-UHFFFAOYSA-N,"InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)","""AuxInfo=1/1/N:1,2,22,18,23,21,3,17,19,10,14,8,11,7,15,5,9,16,20,4,12,13,6/E:(8,9)(18,19)/rA:23CCCNCOCCNCCNNCCNCCCNCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1638615,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-LHKDIYKHGIOMPL_on_P47869_WT,Low,ChEMBL30,CHEMBL1631468,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2,LHKDIYKHGIOMPL,LHKDIYKHGIOMPL-UHFFFAOYSA-N,"InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)","""AuxInfo=1/1/N:1,2,22,18,23,21,3,17,19,10,14,8,11,7,15,5,9,16,20,4,12,13,6/E:(8,9)(18,19)/rA:23CCCNCOCCNCCNNCCNCCCNCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1638618;CHEMBL1638614,PMID:20980155,2010.0,PMID:20980155,2010,0,0;1,0,1;0,0,,=,  6.420;  6.980,6.7,0.28,0.28,2.0,6.7,0.28
-LHMLJRCNGQZNHL_on_Q13224_WT,High,ChEMBL30,CHEMBL3954438,Fc1ccc(-c2cn(Cc3n[nH]cc3)nc2)cc1OC(F)F,LHMLJRCNGQZNHL,LHMLJRCNGQZNHL-UHFFFAOYSA-N,"InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)","""AuxInfo=1/1/N:4,3,14,13,17,16,7,9,5,6,10,2,18,20,1,21,22,12,15,11,8,19/E:(16,17)/rA:22FCCCCCCNCCNNCCNCCCOCFF/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s10d13;s8;s6d15;s5;s2d17;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-LHMYCKKRCBXCBI_on_P14867_WT,Low,ChEMBL30,CHEMBL224175,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,LHMYCKKRCBXCBI,LHMYCKKRCBXCBI-UHFFFAOYSA-N,"InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-LHMYCKKRCBXCBI_on_P18507_WT,Low,ChEMBL30,CHEMBL224175,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,LHMYCKKRCBXCBI,LHMYCKKRCBXCBI-UHFFFAOYSA-N,"InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919087;CHEMBL919089;CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.110;  8.920;  8.590,8.873,0.215,0.152,3.0,8.92,0.19
-LHMYCKKRCBXCBI_on_P28472_WT,Low,ChEMBL30,CHEMBL224175,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,LHMYCKKRCBXCBI,LHMYCKKRCBXCBI-UHFFFAOYSA-N,"InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919089;CHEMBL919088;CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.920;  8.590;  9.110,8.873,0.215,0.152,3.0,8.92,0.19
-LHMYCKKRCBXCBI_on_P34903_WT,Low,ChEMBL30,CHEMBL224175,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,LHMYCKKRCBXCBI,LHMYCKKRCBXCBI-UHFFFAOYSA-N,"InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-LHMYCKKRCBXCBI_on_P47869_WT,Low,ChEMBL30,CHEMBL224175,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1,LHMYCKKRCBXCBI,LHMYCKKRCBXCBI-UHFFFAOYSA-N,"InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-LHOOHRUEDKJGBG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950067,Cc1cncc(C(=O)NC23CC4CC(CC(C#Cc5cccnc5)(C4)C2)C3)n1,LHOOHRUEDKJGBG,LHOOHRUEDKJGBG-UHFFFAOYSA-N,"InChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,21,20,18,17,22,13,15,25,27,11,3,24,5,26,2,19,14,12,6,7,16,10,23,4,28,9,8/E:(8,9)(10,11)(18,19)/rA:28CCCNCCCONCCCCCCCCCCCCCNCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12s16;s10s16;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LHPXSAXOPUBKSO_on_P14867_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LHPXSAXOPUBKSO_on_P18507_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.540;  7.400;  6.770,6.903,0.364,0.257,3.0,6.77,0.23
-LHPXSAXOPUBKSO_on_P28472_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.400;  6.540;  6.770,6.903,0.364,0.257,3.0,6.77,0.23
-LHPXSAXOPUBKSO_on_P31644_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-LHPXSAXOPUBKSO_on_P34903_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-LHPXSAXOPUBKSO_on_P47869_WT,Low,ChEMBL30,CHEMBL360345,O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LHPXSAXOPUBKSO,LHPXSAXOPUBKSO-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23(25-17-8-4-5-13-24-17)20-18-14-9-11-15(12-10-14)19(18)22-27-26-21(29(22)28-20)16-6-2-1-3-7-16/h1-8,13-15H,9-12H2,(H,24,25,30)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,26,30,27,29,6,25,28,14,4,24,23,10,13,22,2,5,3,20,21,11,12,1/E:(2,3)(6,7)(9,10)(11,12)/rA:30OCNCNCCCCCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-LHSDTLBODBZDKZ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11255377;CHEMBL176279,CCCc1ccc2cc(C(=O)C3CCC(OC)CC3)ccc2n1,LHSDTLBODBZDKZ,LHSDTLBODBZDKZ-UHFFFAOYSA-N,"InChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3","""AuxInfo=1/0/N:1,17,2,3,6,13,19,20,5,14,18,21,8,12,7,9,4,15,22,10,23,11,16/E:(6,7)(10,11)/rA:23CCCCCCCCCCOCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s9;d20;s7s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  8.523;  8.520,8.521,0.002,0.002,2.0,8.521,0.002
-LHSPQPRENUPWKB_on_Q14416_WT,High,ChEMBL30,CHEMBL3221836,CCCn1ccc2c(cccc2N(C)CCc2ccc(OC)cc2)c1=O,LHSPQPRENUPWKB,LHSPQPRENUPWKB-UHFFFAOYSA-N,"InChI=1S/C22H26N2O2/c1-4-14-24-16-13-19-20(22(24)25)6-5-7-21(19)23(2)15-12-17-8-10-18(26-3)11-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,14,22,2,10,9,11,18,24,19,23,16,6,3,15,5,17,20,7,8,12,25,13,4,26,21/E:(8,9)(10,11)/rA:26CCCNCCCCCCCCNCCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s13;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s4s8;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-LHSWKUZVAZKLHJ_on_O00591_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_O14764_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P14867_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P18505_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P18507_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P28472_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P31644_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P34903_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P47869_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P47870_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P48169_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_P78334_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHSWKUZVAZKLHJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL362308,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2,LHSWKUZVAZKLHJ,LHSWKUZVAZKLHJ-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2F3N3O2S/c1-29-17-14(8-2-3-12-13(4-8)28-7-27-12)16(24)26(25-17)15-10(19)5-9(6-11(15)20)18(21,22)23/h2-6H,7,24H2,1H3","""AuxInfo=1/0/N:1,26,25,22,9,15,28,21,10,7,16,24,23,20,6,18,3,11,8,17,12,13,14,19,4,5,27,29,2/E:(5,6)(10,11)(19,20)(21,22,23)/rA:29CSCNNCCClCCCFFFCCClCNCCCCCCCOCO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;s24;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHUVDZHUMLCYFE_on_Q05586_WT,Medium,ChEMBL30,CHEMBL419399,Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1,LHUVDZHUMLCYFE,LHUVDZHUMLCYFE-UHFFFAOYSA-N,"InChI=1S/C23H25N3O/c1-17-4-6-19(7-5-17)15-20-10-13-26(14-11-20)12-2-3-18-8-9-21-22(16-18)25-23(27)24-21/h4-9,16,20H,10-15H2,1H3,(H2,24,25,27)","""AuxInfo=1/1/N:1,12,13,3,27,4,26,15,16,8,25,11,9,24,6,23,2,14,5,7,17,22,19,18,21,10,20/E:(4,5)(6,7)(10,11)(13,14)/rA:27CCCCCCCCCNCCCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s19;d19;s17s21;s14d22;s10;s7s24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-LHZRRFPLRXPXFH_on_P14867_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-LHZRRFPLRXPXFH_on_P18507_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273615;CHEMBL1273618;CHEMBL1273619;CHEMBL1273617;CHEMBL1273616;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.920;  5.700;  6.910;  7.330;  7.410;  5.520,6.797999999999999,0.8909999999999999,0.39899999999999997,6.0,7.12,0.545
-LHZRRFPLRXPXFH_on_P28472_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273616;CHEMBL1273618;CHEMBL1273620;CHEMBL1273619;CHEMBL1273617;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.410;  5.700;  5.520;  6.910;  7.330;  7.920,6.797999999999999,0.8909999999999999,0.39899999999999997,6.0,7.12,0.545
-LHZRRFPLRXPXFH_on_P31644_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LHZRRFPLRXPXFH_on_P34903_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-LHZRRFPLRXPXFH_on_P47869_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-LHZRRFPLRXPXFH_on_P48169_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-LHZRRFPLRXPXFH_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270144,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,LHZRRFPLRXPXFH,LHZRRFPLRXPXFH-UHFFFAOYSA-N,"InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2","""AuxInfo=1/0/N:19,20,16,22,11,4,17,15,21,14,9,12,2,5,6,7,8,18,10,13,1,3/E:(15,16,17)/rA:22OCOCCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12s15;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-LICVBNQRZFPUHS_on_P14867_WT,Low,ChEMBL30,CHEMBL117874,Oc1c2C=NC3CCCC3c2nn1-c1ccc(Cl)cc1,LICVBNQRZFPUHS,LICVBNQRZFPUHS-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,20H,1-3H2","""AuxInfo=1/0/N:8,9,7,16,19,15,20,4,17,14,10,3,6,11,2,18,5,12,13,1/E:(4,5)(6,7)/rA:20OCCCNCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s6s9;s3s10;d11;s2s12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.360,9.36,0.0,0.0,1.0,9.36,0.0
-LICVBNQRZFPUHS_on_P18507_WT,Low,ChEMBL30,CHEMBL117874,Oc1c2C=NC3CCCC3c2nn1-c1ccc(Cl)cc1,LICVBNQRZFPUHS,LICVBNQRZFPUHS-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,20H,1-3H2","""AuxInfo=1/0/N:8,9,7,16,19,15,20,4,17,14,10,3,6,11,2,18,5,12,13,1/E:(4,5)(6,7)/rA:20OCCCNCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s6s9;s3s10;d11;s2s12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.950;  9.360,9.155,0.205,0.205,2.0,9.155,0.205
-LICVBNQRZFPUHS_on_P28472_WT,Low,ChEMBL30,CHEMBL117874,Oc1c2C=NC3CCCC3c2nn1-c1ccc(Cl)cc1,LICVBNQRZFPUHS,LICVBNQRZFPUHS-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,20H,1-3H2","""AuxInfo=1/0/N:8,9,7,16,19,15,20,4,17,14,10,3,6,11,2,18,5,12,13,1/E:(4,5)(6,7)/rA:20OCCCNCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s6s9;s3s10;d11;s2s12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.950;  9.360,9.155,0.205,0.205,2.0,9.155,0.205
-LICVBNQRZFPUHS_on_P34903_WT,Low,ChEMBL30,CHEMBL117874,Oc1c2C=NC3CCCC3c2nn1-c1ccc(Cl)cc1,LICVBNQRZFPUHS,LICVBNQRZFPUHS-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,20H,1-3H2","""AuxInfo=1/0/N:8,9,7,16,19,15,20,4,17,14,10,3,6,11,2,18,5,12,13,1/E:(4,5)(6,7)/rA:20OCCCNCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s6s9;s3s10;d11;s2s12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.950,8.95,0.0,0.0,1.0,8.95,0.0
-LIDMLLUUCAACPY_on_P18507_WT,Low,ChEMBL30,CHEMBL335555,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,LIDMLLUUCAACPY,LIDMLLUUCAACPY-UHFFFAOYSA-N,"InChI=1S/C24H17N5O2/c1-2-15-10-11-18-17(13-15)24(30)28-12-6-9-19(28)21-20(25-14-29(18)21)23-26-22(27-31-23)16-7-4-3-5-8-16/h1,3-5,7-8,10-11,13-14,19H,6,9,12H2","""AuxInfo=1/0/N:1,2,24,23,25,13,22,26,14,4,5,12,8,30,3,21,7,6,15,17,16,20,18,9,29,19,27,11,31,10,28/E:(4,5)(7,8)/rA:31CCCCCCCCCONCCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;d20;s18s27;s17;d29;s6s16s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.340;  6.340,6.34,0.0,0.0,2.0,6.34,0.0
-LIDMLLUUCAACPY_on_P28472_WT,Low,ChEMBL30,CHEMBL335555,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,LIDMLLUUCAACPY,LIDMLLUUCAACPY-UHFFFAOYSA-N,"InChI=1S/C24H17N5O2/c1-2-15-10-11-18-17(13-15)24(30)28-12-6-9-19(28)21-20(25-14-29(18)21)23-26-22(27-31-23)16-7-4-3-5-8-16/h1,3-5,7-8,10-11,13-14,19H,6,9,12H2","""AuxInfo=1/0/N:1,2,24,23,25,13,22,26,14,4,5,12,8,30,3,21,7,6,15,17,16,20,18,9,29,19,27,11,31,10,28/E:(4,5)(7,8)/rA:31CCCCCCCCCONCCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;d20;s18s27;s17;d29;s6s16s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.340;  6.340,6.34,0.0,0.0,2.0,6.34,0.0
-LIDMLLUUCAACPY_on_P31644_WT,Low,ChEMBL30,CHEMBL335555,C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21,LIDMLLUUCAACPY,LIDMLLUUCAACPY-UHFFFAOYSA-N,"InChI=1S/C24H17N5O2/c1-2-15-10-11-18-17(13-15)24(30)28-12-6-9-19(28)21-20(25-14-29(18)21)23-26-22(27-31-23)16-7-4-3-5-8-16/h1,3-5,7-8,10-11,13-14,19H,6,9,12H2","""AuxInfo=1/0/N:1,2,24,23,25,13,22,26,14,4,5,12,8,30,3,21,7,6,15,17,16,20,18,9,29,19,27,11,31,10,28/E:(4,5)(7,8)/rA:31CCCCCCCCCONCCCCCCCNCCCCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;d20;s18s27;s17;d29;s6s16s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.340;  6.340,6.34,0.0,0.0,2.0,6.34,0.0
-LIDYBUXQVIDYDY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962816,CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C,LIDYBUXQVIDYDY,LIDYBUXQVIDYDY-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)13-23(18(24)22(19)3)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-12H,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,19,21,12,9,16,6,3,22,17,20,2,5,4/E:(1,2)/rA:24CNCONCCCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-LIEFYALYPKZMHQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3970594,Cc1c(S(=O)(=O)Cc2ccccc2C(F)(F)F)sc(NC(=O)c2ccccn2)n1,LIEFYALYPKZMHQ,LIEFYALYPKZMHQ-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O3S2/c1-11-16(28-17(23-11)24-15(25)14-8-4-5-9-22-14)29(26,27)10-12-6-2-3-7-13(12)18(19,20)21/h2-9H,10H2,1H3,(H,23,24,25)","""AuxInfo=1/1/N:1,10,11,25,26,9,12,24,27,7,2,8,13,23,21,3,19,14,15,16,17,28,29,20,22,5,6,18,4/E:(19,20,21)(26,27)/CRV:29.6/rA:29CCCSOOCCCCCCCCFFFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s13;s14;s14;s14;s3;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-LIFDPEORUVTOCP_on_P14867_WT,Low,ChEMBL30,CHEMBL73416,CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12,LIFDPEORUVTOCP,LIFDPEORUVTOCP-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3","""AuxInfo=1/0/N:1,7,2,21,22,3,20,12,17,13,16,23,8,11,14,9,19,4,10,15,18,6,24,5/E:(8,9)(10,11)/rA:24CCCCONCCCCCCCCClCCNCCCCCN/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;d22;s9s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678631,DOI:10.1016/S0960-894X(97)00404-6,1997.0,DOI:10.1016/S0960-894X(97)00404-6,1997,1,0,0,0,0,,=,  8.960;  7.480,8.22,0.74,0.74,2.0,8.22,0.74
-LIFDPEORUVTOCP_on_P18507_WT,Low,ChEMBL30,CHEMBL73416,CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12,LIFDPEORUVTOCP,LIFDPEORUVTOCP-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3","""AuxInfo=1/0/N:1,7,2,21,22,3,20,12,17,13,16,23,8,11,14,9,19,4,10,15,18,6,24,5/E:(8,9)(10,11)/rA:24CCCCONCCCCCCCCClCCNCCCCCN/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;d22;s9s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678631,DOI:10.1016/S0960-894X(97)00404-6,1997.0,DOI:10.1016/S0960-894X(97)00404-6,1997,1,0,0,0,0,,=,  8.960;  7.480,8.22,0.74,0.74,2.0,8.22,0.74
-LIFDPEORUVTOCP_on_P31644_WT,Medium,ChEMBL30,CHEMBL73416,CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12,LIFDPEORUVTOCP,LIFDPEORUVTOCP-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3","""AuxInfo=1/0/N:1,7,2,21,22,3,20,12,17,13,16,23,8,11,14,9,19,4,10,15,18,6,24,5/E:(8,9)(10,11)/rA:24CCCCONCCCCCCCCClCCNCCCCCN/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;d22;s9s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL677203;CHEMBL677202,DOI:10.1016/S0960-894X(97)00404-6,1997.0,DOI:10.1016/S0960-894X(97)00404-6,1997,1,0,0,0,0,,=,  8.340;  8.570,8.455,0.115,0.115,2.0,8.455,0.115
-LIFDPEORUVTOCP_on_P47870_WT,Low,ChEMBL30,CHEMBL73416,CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12,LIFDPEORUVTOCP,LIFDPEORUVTOCP-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3","""AuxInfo=1/0/N:1,7,2,21,22,3,20,12,17,13,16,23,8,11,14,9,19,4,10,15,18,6,24,5/E:(8,9)(10,11)/rA:24CCCCONCCCCCCCCClCCNCCCCCN/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;d22;s9s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678631,DOI:10.1016/S0960-894X(97)00404-6,1997.0,DOI:10.1016/S0960-894X(97)00404-6,1997,1,0,0,0,0,,=,  7.480;  8.960,8.22,0.74,0.74,2.0,8.22,0.74
-LIFGURQFZLMSDE_on_Q14957_WT,High,ChEMBL30,CHEMBL3237281,COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1,LIFGURQFZLMSDE,LIFGURQFZLMSDE-UHFFFAOYSA-N,"InChI=1S/C25H24N2O5/c1-14-18(19-6-4-5-7-20(19)26-14)12-13-27-22(21(15(2)28)23(29)24(27)30)16-8-10-17(11-9-16)25(31)32-3/h4-11,22,26,29H,12-13H2,1-3H3","""AuxInfo=1/0/N:23,12,1,28,27,29,26,7,31,6,32,20,19,22,11,8,5,21,30,25,10,9,14,16,3,24,18,13,15,17,4,2/E:(8,9)(10,11)/rA:32COCOCCCCCCCCOCOCONCCCCCNCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;s11;d11;w?10;s14;s14;d16;s9s16;s18;s19;s20;d21;s22;s22;s24;d25;s26;d27;s28;s21s25d29;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309011,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-LIFOQDABDOAYFP_on_Q14833_WT,High,ChEMBL30,CHEMBL1921954,O=C(Nc1c(F)cc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncccc1,LIFOQDABDOAYFP,LIFOQDABDOAYFP-UHFFFAOYSA-N,"InChI=1S/C18H12FN3O5S2/c19-13-11-12(8-9-14(13)21-18(23)15-5-3-4-10-20-15)22-28(24,25)16-6-1-2-7-17(16)29(22,26)27/h1-11H,(H,21,23)","""AuxInfo=1/1/N:16,17,28,27,29,15,18,22,23,26,7,8,5,4,24,14,13,2,6,25,3,9,1,20,21,11,12,19,10/E:(1,2)(6,7)(16,17)(24,25,26,27)(28,29)/CRV:28.6,29.6/rA:29OCNCCFCCNSOOCCCCCCSOOCCCNCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s9;d10;d10;s10;d13;s14;d15;s16;s13d17;s9s14;d19;d19;s8;s4d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-LIIRYFLHPZDMEC_on_P14867_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-LIIRYFLHPZDMEC_on_P18507_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.350;  7.190;  7.620;  6.720,7.47,0.6,0.34600000000000003,4.0,7.405,0.45
-LIIRYFLHPZDMEC_on_P28472_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.190;  8.350;  6.720;  7.620,7.47,0.6,0.34600000000000003,4.0,7.405,0.45
-LIIRYFLHPZDMEC_on_P31644_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-LIIRYFLHPZDMEC_on_P34903_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIIRYFLHPZDMEC_on_P47869_WT,Low,ChEMBL30,CHEMBL178670,CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,LIIRYFLHPZDMEC,LIIRYFLHPZDMEC-UHFFFAOYSA-N,"InChI=1S/C27H29N5O/c1-31(2)16-18-7-6-8-19(15-18)17-33-27-24-21-13-11-20(12-14-21)23(24)26-29-28-25(32(26)30-27)22-9-4-3-5-10-22/h3-10,15,20-21H,11-14,16-17H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,7,6,8,17,21,29,31,28,32,33,4,10,5,9,30,27,16,25,26,15,24,12,22,23,13,2,14,11/E:(1,2)(4,5)(9,10)(11,12)(13,14)/rA:33CNCCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-LIJKZPHSQPFWBX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3893337,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1,LIJKZPHSQPFWBX,LIJKZPHSQPFWBX-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3O2/c1-13-12-15(6-8-24-13)18-17-7-10-27-11-9-26(17)19(25-18)14-2-4-16(5-3-14)28-20(21,22)23/h2-6,8,12H,7,9-11H2,1H3","""AuxInfo=1/0/N:1,15,24,16,23,26,7,27,11,8,10,3,2,14,4,17,6,5,13,19,20,21,22,28,25,12,9,18/E:(2,3)(4,5)(21,22,23)/rA:28CCCCCCCCOCCNCCCCCOCFFFCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s14d23;s5d13;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LILDOVBMXQSOBD_on_P41594_WT,High,ChEMBL30,CHEMBL3655623,N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)c2)ccc1,LILDOVBMXQSOBD,LILDOVBMXQSOBD-UHFFFAOYSA-N,"InChI=1S/C17H11N5O2/c18-6-12-2-1-3-13(4-12)17(23)22-14-5-15(8-19-7-14)24-16-9-20-11-21-10-16/h1-5,7-11H,(H,22,23)","""AuxInfo=1/1/N:23,24,22,4,21,2,10,12,16,20,18,3,5,9,13,15,6,1,11,17,19,8,7,14/E:(9,10)(20,21)/rA:24NCCCCCONCCNCCOCCNCNCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.710;  5.030,5.37,0.34,0.34,2.0,5.37,0.34
-LINDOXZENKYESA_on_O15399_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_O60391_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LINDOXZENKYESA_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193979,CNC(=N)NC,LINDOXZENKYESA,LINDOXZENKYESA-UHFFFAOYSA-N,"InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)","""AuxInfo=1/1/N:1,6,3,4,2,5/E:(1,2)(5,6)/rA:6CNCNNC/rB:s1;s2;d3;s3;s5;/rC:;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LIPLZRHNAQDECM_on_Q14416_WT,High,ChEMBL30,CHEMBL4068679,NC1(C(=O)O)CC(NCc2ccccc2)C2C(C(=O)O)C21,LIPLZRHNAQDECM,LIPLZRHNAQDECM-UHFFFAOYSA-N,"InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:13,12,14,11,15,6,9,10,7,16,17,21,18,3,2,1,8,19,20,4,5/E:(2,3)(4,5)(18,19)(20,21)/rA:21NCCOOCCNCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;s16;s17;d18;s18;s2s16s17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  4.950;  6.290,5.62,0.67,0.67,2.0,5.62,0.67
-LIPLZRHNAQDECM_on_Q14832_WT,High,ChEMBL30,CHEMBL4068679,NC1(C(=O)O)CC(NCc2ccccc2)C2C(C(=O)O)C21,LIPLZRHNAQDECM,LIPLZRHNAQDECM-UHFFFAOYSA-N,"InChI=1S/C15H18N2O4/c16-15(14(20)21)6-9(10-11(12(10)15)13(18)19)17-7-8-4-2-1-3-5-8/h1-5,9-12,17H,6-7,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:13,12,14,11,15,6,9,10,7,16,17,21,18,3,2,1,8,19,20,4,5/E:(2,3)(4,5)(18,19)(20,21)/rA:21NCCOOCCNCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;s16;s17;d18;s18;s2s16s17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  5.970;  6.450,6.21,0.24,0.24,2.0,6.21,0.24
-LISIBTYUESGZGJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1290670;24762955,O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1,LISIBTYUESGZGJ,LISIBTYUESGZGJ-UHFFFAOYSA-N,"InChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2","""AuxInfo=1/0/N:9,8,10,7,11,18,17,14,24,13,25,21,5,3,6,19,22,16,2,20,23,15,12,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCOCCCCCCCNCCNCCCCFCCFCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  6.520;  6.523,6.521,0.002,0.002,2.0,6.521,0.002
-LIULOGPHLPGDQS_on_Q14416_WT,High,ChEMBL30,CHEMBL4075593,Fc1c(Oc2ccnc(C3CC3)c2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1,LIULOGPHLPGDQS,LIULOGPHLPGDQS-UHFFFAOYSA-N,"InChI=1S/C24H20ClFN4O/c25-23-18(8-10-30-22(11-14-1-2-14)28-29-24(23)30)16-5-6-21(19(26)12-16)31-17-7-9-27-20(13-17)15-3-4-15/h5-10,12-15H,1-4,11H2","""AuxInfo=1/0/N:26,27,11,12,15,14,6,30,7,29,24,31,13,25,10,16,5,17,2,9,3,23,18,20,19,1,8,22,21,28,4/E:(1,2)(3,4)/rA:31FCCOCCCNCCCCCCCCCCClCNNCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;s10s11;s5d9;s3;d14;s15;s16;d17;s18;s18;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s17d29;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040510;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;0;1,0;1;0,0,,=,  7.060;  7.270;  7.370,7.233,0.129,0.091,3.0,7.27,0.1
-LIVAPIWBIQYQLE_on_Q14833_WT,High,ChEMBL30,CHEMBL3808555,Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C,LIVAPIWBIQYQLE,LIVAPIWBIQYQLE-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3S/c1-13-6-7-16(11-14(13)2)25(23,24)21-10-8-15(12-21)20-18(22)17-5-3-4-9-19-17/h3-12H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,25,18,19,17,3,4,11,20,10,23,22,2,24,12,5,16,14,21,13,9,15,7,8,6/E:(23,24)/CRV:25.6/rA:25CCCCCSOONCCCNCOCCCCCNCCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s9d12;s5;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  7.210;  7.210,7.21,0.0,0.0,2.0,7.21,0.0
-LIXHLXZPUZQKCT_on_O00591_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_O14764_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_P14867_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P18505_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P18507_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_P28472_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.620;  5.870,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P31644_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P34903_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P47869_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P47870_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.870;  7.620,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P48169_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.620;  5.870,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_P78334_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LIXHLXZPUZQKCT_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.620;  5.870,6.745,0.875,0.875,2.0,6.745,0.875
-LIXHLXZPUZQKCT_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427545,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1,LIXHLXZPUZQKCT,LIXHLXZPUZQKCT-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-14-28-12-9-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,26,4,13,25,32,23,21,19,7,22,6,11,10,31,16,27,17,2,14,24,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCNCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LJAIBEICVMCECN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2338598;71720148,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cnccc1,LJAIBEICVMCECN,LJAIBEICVMCECN-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-15-6-1-4-13(10-15)18(24)22-16-7-2-8-17(11-16)23-19(25)14-5-3-9-21-12-14/h1,3-6,9-10,12,16-17H,2,7-8,11H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:17,6,24,18,25,16,7,5,23,13,19,21,12,20,14,8,4,10,2,15,22,9,3,11,1/rA:25OCNCCCCCNCOCCCClCCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;PubChemAID:729738,PMID:23357634,2013.0,PMID:23357634;PubChemAID:729738,2013,1;0,0,0,0,0;1,,=,  6.210;  6.213,6.212000000000001,0.002,0.002,2.0,6.212000000000001,0.002
-LJFDWOOLSVVMQI_on_P18507_WT,Low,ChEMBL30,CHEMBL1077468,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cccc4)-c3n2)c1,LJFDWOOLSVVMQI,LJFDWOOLSVVMQI-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-11-7-13(25-22-11)8-17-20-18-14-5-3-4-6-15(14)23-10-19-12(2)16(23)9-24(18)21-17/h3-7,10H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,13,20,21,19,22,25,6,10,15,2,12,5,18,17,11,7,23,14,24,8,3,16,9,4/rA:25CCNOCCCNNCCCCNCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s17d21;s9s18;s7d23;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-LJFDWOOLSVVMQI_on_P28472_WT,Low,ChEMBL30,CHEMBL1077468,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cccc4)-c3n2)c1,LJFDWOOLSVVMQI,LJFDWOOLSVVMQI-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-11-7-13(25-22-11)8-17-20-18-14-5-3-4-6-15(14)23-10-19-12(2)16(23)9-24(18)21-17/h3-7,10H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,13,20,21,19,22,25,6,10,15,2,12,5,18,17,11,7,23,14,24,8,3,16,9,4/rA:25CCNOCCCNNCCCCNCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s17d21;s9s18;s7d23;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-LJFDWOOLSVVMQI_on_P31644_WT,Low,ChEMBL30,CHEMBL1077468,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cccc4)-c3n2)c1,LJFDWOOLSVVMQI,LJFDWOOLSVVMQI-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-11-7-13(25-22-11)8-17-20-18-14-5-3-4-6-15(14)23-10-19-12(2)16(23)9-24(18)21-17/h3-7,10H,8-9H2,1-2H3","""AuxInfo=1/0/N:1,13,20,21,19,22,25,6,10,15,2,12,5,18,17,11,7,23,14,24,8,3,16,9,4/rA:25CCNOCCCNNCCCCNCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s17d21;s9s18;s7d23;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-LJGGUEQZSZKWTD_on_P41594_WT,Low,ChEMBL30,CHEMBL1093869,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(S)n4)c2=O)cc1,LJGGUEQZSZKWTD,LJGGUEQZSZKWTD-UHFFFAOYSA-N,"InChI=1S/C15H11N5OS2/c1-7-2-4-8(5-3-7)20-6-17-10-9-12(16)18-15(22)19-13(9)23-11(10)14(20)21/h2-6H,1H3,(H3,16,18,19,22)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,8,16,19,6,21,18,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCSNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-LJGGUEQZSZKWTD_on_Q13255_WT,High,ChEMBL30,CHEMBL1093869,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(S)n4)c2=O)cc1,LJGGUEQZSZKWTD,LJGGUEQZSZKWTD-UHFFFAOYSA-N,"InChI=1S/C15H11N5OS2/c1-7-2-4-8(5-3-7)20-6-17-10-9-12(16)18-15(22)19-13(9)23-11(10)14(20)21/h2-6H,1H3,(H3,16,18,19,22)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,8,16,19,6,21,18,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCSNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-LJHFGHGMPKODCH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3978273,O=C1OC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1,LJHFGHGMPKODCH,LJHFGHGMPKODCH-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c23-19-22(15-20(24-19)12-4-5-13-20)18-11-10-17(14-21-18)9-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,14H,4-5,12-13,15H2","""AuxInfo=1/0/N:20,19,21,6,7,18,22,16,15,13,12,5,8,23,9,17,14,11,2,4,24,10,1,3/E:(2,3)(4,5)(6,7)(12,13)/rA:24OCOCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s4;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-LJJDQIXCCNCEGV_on_Q14833_WT,High,ChEMBL30,CHEMBL3798366,Nc1cccnc1C(=O)Nc1cc(Cl)c(N2CC3(CCCCC3)CC2=O)cc1,LJJDQIXCCNCEGV,LJJDQIXCCNCEGV-UHFFFAOYSA-N,"InChI=1S/C21H23ClN4O2/c22-15-11-14(25-20(28)19-16(23)5-4-10-24-19)6-7-17(15)26-13-21(12-18(26)27)8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12-13,23H2,(H,25,28)","""AuxInfo=1/1/N:21,20,22,4,3,28,27,19,23,5,12,24,17,11,13,2,15,25,7,8,18,14,1,6,10,16,26,9/E:(2,3)(8,9)/rA:28NCCCCNCCONCCCClCNCCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s16;s17;s18;s19;s20;s21;s18s22;s18;s16s24;d25;s15;s11d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  8.890;  5.890,7.39,1.5,1.5,2.0,7.39,1.5
-LJRIFLWERUHAIZ_on_P14867_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL676825;CHEMBL678329,PMID:8627617,1996.0,PMID:9767648;PMID:8627617;PMID:10633039,1998;1996;2000,0,0,0,1,0,,=,  8.430;  8.420;  8.430,8.427,0.005,0.003,3.0,8.43,0.0
-LJRIFLWERUHAIZ_on_P18507_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL677845;CHEMBL678740;CHEMBL681840;CHEMBL676825;CHEMBL685338;CHEMBL822165;CHEMBL683047;CHEMBL681248;CHEMBL824296;CHEMBL678329;CHEMBL823916;CHEMBL681480;CHEMBL682251,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:8627617;PMID:8627617;PMID:8627617;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039,2000;1996;1996;1996;1996;1998;1998;1998;2000;1998;2000;1998;2000;2000,0,0,0,1,0,,=,  7.350;  7.350;  8.390;  8.140;  8.420;  8.960;  8.430;  7.350;  8.140;  8.140;  8.430;  8.380;  8.960;  8.390,8.202,0.507,0.14,14.0,8.385,0.245
-LJRIFLWERUHAIZ_on_P28472_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824296;CHEMBL823916;CHEMBL683045;CHEMBL822165;CHEMBL678329;CHEMBL683047;CHEMBL681248;CHEMBL681480;CHEMBL685338;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039,1998;1998;2000;1998;2000;1998;2000;2000;1998;2000,0,0,0,1,0,,=,  8.140;  8.380;  7.350;  8.430;  8.430;  7.350;  8.140;  8.960;  8.960;  8.390,8.253,0.525,0.175,10.0,8.385,0.245
-LJRIFLWERUHAIZ_on_P31644_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.960;  8.960,8.96,0.0,0.0,2.0,8.96,0.0
-LJRIFLWERUHAIZ_on_P34903_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678740;CHEMBL682251;CHEMBL823916,PMID:8627617,1996.0,PMID:8627617;PMID:10633039;PMID:9767648,1996;2000;1998,0,0,0,1,0,,=,  8.390;  8.390;  8.380,8.387,0.005,0.003,3.0,8.39,0.0
-LJRIFLWERUHAIZ_on_P47869_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL681840;CHEMBL824296,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  8.140;  8.140;  8.140,8.14,0.0,0.0,3.0,8.14,0.0
-LJRIFLWERUHAIZ_on_P47870_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681840;CHEMBL677845;CHEMBL676825;CHEMBL678740,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  8.140;  7.350;  8.420;  8.390,8.075,0.43200000000000005,0.25,4.0,8.265,0.14
-LJRIFLWERUHAIZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL57655,C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,LJRIFLWERUHAIZ,LJRIFLWERUHAIZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:d1;d2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL677845;CHEMBL683045,PMID:8627617,1996.0,PMID:9767648;PMID:8627617;PMID:10633039,1998;1996;2000,0,0,0,1,0,,=,  7.350;  7.350;  7.350,7.35,0.0,0.0,3.0,7.35,0.0
-LJUABYFUJVRUSJ_on_O15303_WT,High,ExCAPE-DB,46869947,O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c(Cl)c1)c1ccccn1,LJUABYFUJVRUSJ,LJUABYFUJVRUSJ-UHFFFAOYSA-N,"InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)","""AuxInfo=1/1/N:25,26,24,13,14,5,6,27,16,22,12,15,4,20,23,7,11,17,2,9,18,21,28,3,8,1,10,19/E:(4,5)(11,12)(17,18)(20,21)(27,28)/rA:28OCNCCCCNCOCCCCCCCCOCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;w?13;s14;s12s15;s11s15;s8s17;d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:2191,PubChemAID:2191,2009.0,PubChemAID:2191,2009,0,0,0,0,1,,=,  5.601,5.601,0.0,0.0,1.0,5.601,0.0
-LJUABYFUJVRUSJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3628280,O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ncccc1,LJUABYFUJVRUSJ,LJUABYFUJVRUSJ-UHFFFAOYSA-N,"InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)","""AuxInfo=1/1/N:27,26,28,14,15,22,21,25,17,5,13,16,4,6,23,8,12,18,2,10,19,7,24,3,9,1,11,20/E:(4,5)(11,12)(17,18)(20,21)(27,28)/rA:28OCNCCCClCNCOCCCCCCCCOCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s13;w?14;s15;s13s16;s12s16;s9s18;d19;s8;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-LJUABYFUJVRUSJ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB;ExCAPE-DB;ChEMBL30,CHEMBL1921961;54752951;46869947;CHEMBL3609730,O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ccccn1,LJUABYFUJVRUSJ,LJUABYFUJVRUSJ-UHFFFAOYSA-N,"InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)","""AuxInfo=1/1/N:25,26,24,14,15,22,21,27,17,5,13,16,4,6,23,8,12,18,2,10,19,7,28,3,9,1,11,20/E:(4,5)(11,12)(17,18)(20,21)(27,28)/rA:28OCNCCCClCNCOCCCCCCCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s13;w?14;s15;s13s16;s12s16;s9s18;d19;s8;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408;PubChemAID:2197;CHEMBL3610660,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408;PubChemAID:2197;PMID:26231155,2011;2012;2009;2015,0,1;0;0;1,0,0,0;1;1;0,,=,  6.540;  6.536;  6.463;  6.540,6.52,0.033,0.019,4.0,6.537999999999999,0.002
-LJVOSMRKNVMQTC_on_P18507_WT,Low,ChEMBL30,CHEMBL566171,Cc1ncc2Cc3c(Cl)ncn3-c3c(cccc3)-c2n1,LJVOSMRKNVMQTC,LJVOSMRKNVMQTC-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4/c1-9-17-7-10-6-13-15(16)18-8-20(13)12-5-3-2-4-11(12)14(10)19-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,18,6,4,11,2,5,14,13,7,19,8,9,3,10,20,12/rA:20CCNCCCCCClNCNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s13d17;s5s14;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LJVOSMRKNVMQTC_on_P28472_WT,Low,ChEMBL30,CHEMBL566171,Cc1ncc2Cc3c(Cl)ncn3-c3c(cccc3)-c2n1,LJVOSMRKNVMQTC,LJVOSMRKNVMQTC-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4/c1-9-17-7-10-6-13-15(16)18-8-20(13)12-5-3-2-4-11(12)14(10)19-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,18,6,4,11,2,5,14,13,7,19,8,9,3,10,20,12/rA:20CCNCCCCCClNCNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s13d17;s5s14;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LJVOSMRKNVMQTC_on_P31644_WT,Low,ChEMBL30,CHEMBL566171,Cc1ncc2Cc3c(Cl)ncn3-c3c(cccc3)-c2n1,LJVOSMRKNVMQTC,LJVOSMRKNVMQTC-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4/c1-9-17-7-10-6-13-15(16)18-8-20(13)12-5-3-2-4-11(12)14(10)19-9/h2-5,7-8H,6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,18,6,4,11,2,5,14,13,7,19,8,9,3,10,20,12/rA:20CCNCCCCCClNCNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s13d17;s5s14;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-LJYNSIUTUVNOQT_on_P41594_WT,High,ChEMBL30,CHEMBL3597591,O=[N+]([O-])c1cccnc1N1CCN(CC#Cc2ccccc2)CC1,LJYNSIUTUVNOQT,LJYNSIUTUVNOQT-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2","""AuxInfo=1/0/N:20,19,21,6,15,18,22,16,5,7,14,12,23,11,24,17,4,9,8,13,10,2,1,3/E:(2,3)(6,7)(12,13)(14,15)(23,24)/CRV:22.5/rA:24ON+O-CCCCNCNCCNCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s13;s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-LKAKPGPUSCLZCZ_on_P41594_WT,High,ChEMBL30,CHEMBL1682795,O=C1CCCc2c1ccc(C#Cc1ccccc1)c2,LKAKPGPUSCLZCZ,LKAKPGPUSCLZCZ-UHFFFAOYSA-N,"InChI=1S/C18H14O/c19-18-8-4-7-16-13-15(11-12-17(16)18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13H,4,7-8H2","""AuxInfo=1/0/N:16,15,17,4,14,18,5,3,12,11,9,8,19,13,10,6,7,2,1/E:(2,3)(5,6)/rA:19OCCCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.230;  6.230,6.23,0.0,0.0,2.0,6.23,0.0
-LKAQDCQASCWLEL_on_O00222_WT,High,ExCAPE-DB,73058477,COc1ccc(SCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,LKAQDCQASCWLEL,LKAQDCQASCWLEL-UHFFFAOYSA-N,"InChI=1S/C22H21F2NO3S/c1-14-12-20(21(26)13-29-19-10-8-17(27-3)9-11-19)15(2)25(14)16-4-6-18(7-5-16)28-22(23)24/h4-12,22H,13H2,1-3H3","""AuxInfo=1/0/N:26,13,1,16,24,17,23,4,29,5,28,27,8,25,12,15,3,18,6,11,9,20,21,22,14,10,2,19,7/E:(4,5)(6,7)(8,9)(10,11)(23,24)/rA:29COCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LKAQDCQASCWLEL_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561539,COc1ccc(SCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,LKAQDCQASCWLEL,LKAQDCQASCWLEL-UHFFFAOYSA-N,"InChI=1S/C22H21F2NO3S/c1-14-12-20(21(26)13-29-19-10-8-17(27-3)9-11-19)15(2)25(14)16-4-6-18(7-5-16)28-22(23)24/h4-12,22H,13H2,1-3H3","""AuxInfo=1/0/N:26,13,1,16,24,17,23,4,29,5,28,27,8,25,12,15,3,18,6,11,9,20,21,22,14,10,2,19,7/E:(4,5)(6,7)(8,9)(10,11)(23,24)/rA:29COCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LKAQDCQASCWLEL_on_Q14833_WT,High,ExCAPE-DB,73058477,COc1ccc(SCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,LKAQDCQASCWLEL,LKAQDCQASCWLEL-UHFFFAOYSA-N,"InChI=1S/C22H21F2NO3S/c1-14-12-20(21(26)13-29-19-10-8-17(27-3)9-11-19)15(2)25(14)16-4-6-18(7-5-16)28-22(23)24/h4-12,22H,13H2,1-3H3","""AuxInfo=1/0/N:26,13,1,16,24,17,23,4,29,5,28,27,8,25,12,15,3,18,6,11,9,20,21,22,14,10,2,19,7/E:(4,5)(6,7)(8,9)(10,11)(23,24)/rA:29COCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LKBAKHFUNDDERC_on_P14867_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-LKBAKHFUNDDERC_on_P18507_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677034;CHEMBL682709;CHEMBL680669;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240;  7.710;  8.260;  7.750,7.74,0.361,0.20800000000000002,4.0,7.73,0.255
-LKBAKHFUNDDERC_on_P28472_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682709;CHEMBL677034;CHEMBL680432;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.710;  7.240;  7.750;  8.260,7.74,0.361,0.20800000000000002,4.0,7.73,0.255
-LKBAKHFUNDDERC_on_P31644_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-LKBAKHFUNDDERC_on_P34903_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-LKBAKHFUNDDERC_on_P47869_WT,Low,ChEMBL30,CHEMBL123406,Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1,LKBAKHFUNDDERC,LKBAKHFUNDDERC-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,18,17,19,24,23,16,3,26,13,2,25,22,14,4,9,10,5,8,11,15,6,7,20,27,21,12,28/rA:28CCCCCNNCCCCOCCNCCCCNNCCCCCNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s22s25;d4;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-LKBNBRKQCADHSO_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL238263;16659642,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c[nH]nc31)s2,LKBNBRKQCADHSO,LKBNBRKQCADHSO-UHFFFAOYSA-N,"InChI=1S/C16H8ClN5OS/c17-9-1-3-10(4-2-9)22-7-19-13-11-12-8(6-20-21-12)5-18-15(11)24-14(13)16(22)23/h1-7H,(H,20,21)","""AuxInfo=1/1/N:10,13,9,14,18,20,6,19,11,8,15,23,4,3,16,2,12,17,5,21,22,7,1,24/E:(1,2)(3,4)/rA:24OCCCNCNCCCCClCCCCNCCCNNCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;d19;s20;s21;s15s19d22;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859;PubChemAID:302748,PMID:17929793,2007.0,PMID:17929793;PubChemAID:302748,2007;2010,1;0,0,0,0,0;1,,=,  7.420;  7.425,7.422000000000001,0.003,0.003,2.0,7.422000000000001,0.002
-LKCPQVXWQATDFS_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3954190,Cc1ccc(-c2csc3c2ncn(-c2ccc(Cl)cc2)c3=O)cc1,LKCPQVXWQATDFS,LKCPQVXWQATDFS-UHFFFAOYSA-N,"InChI=1S/C19H13ClN2OS/c1-12-2-4-13(5-3-12)16-10-24-18-17(16)21-11-22(19(18)23)15-8-6-14(20)7-9-15/h2-11H,1H3","""AuxInfo=1/0/N:1,3,24,4,23,16,19,15,20,7,12,2,5,17,14,6,10,9,21,18,11,13,22,8/E:(2,3)(4,5)(6,7)(8,9)/rA:24CCCCCCCSCCNCNCCCCClCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s9s13;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-LKDNBDVNZXUBSU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2334975;67425408,CC1CC1C(=O)Nc1c(-c2cccc(C(F)F)n2)c(-c2cc3cn(C)nc3cc2)ns1,LKDNBDVNZXUBSU,LKDNBDVNZXUBSU-UHFFFAOYSA-N,"InChI=1S/C22H19F2N5OS/c1-11-8-14(11)21(30)26-22-18(16-4-3-5-17(25-16)20(23)24)19(28-31-22)12-6-7-15-13(9-12)10-29(2)27-15/h3-7,9-11,14,20H,8H2,1-2H3,(H,26,30)","""AuxInfo=1/1/N:1,25,12,11,13,29,28,3,21,23,2,20,22,4,27,10,14,9,19,15,5,8,16,17,18,7,26,30,24,6,31/E:(23,24)/rA:31CCCCCONCCCCCCCCFFNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546;PubChemAID:733654,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733654,2013,1;0,0,0,0,0;1,,=,  7.090;  7.092,7.091,0.001,0.001,2.0,7.091,0.001
-LKDNBDVNZXUBSU_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67425408;CHEMBL2334975,CC1CC1C(=O)Nc1c(-c2cccc(C(F)F)n2)c(-c2cc3cn(C)nc3cc2)ns1,LKDNBDVNZXUBSU,LKDNBDVNZXUBSU-UHFFFAOYSA-N,"InChI=1S/C22H19F2N5OS/c1-11-8-14(11)21(30)26-22-18(16-4-3-5-17(25-16)20(23)24)19(28-31-22)12-6-7-15-13(9-12)10-29(2)27-15/h3-7,9-11,14,20H,8H2,1-2H3,(H,26,30)","""AuxInfo=1/1/N:1,25,12,11,13,29,28,3,21,23,2,20,22,4,27,10,14,9,19,15,5,8,16,17,18,7,26,30,24,6,31/E:(23,24)/rA:31CCCCCONCCCCCCCCFFNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  5.991;  5.990,5.99,0.0,0.0,2.0,5.99,0.0
-LKGCMKWVVVFMKA_on_Q14416_WT,High,ChEMBL30,CHEMBL4071962,NC1(C(=O)O)CC(NC(=O)c2cccc(Cl)c2)C2C(C(=O)O)C21,LKGCMKWVVVFMKA,LKGCMKWVVVFMKA-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-3-1-2-6(4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,16,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCClCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  7.070;  8.080,7.575,0.505,0.505,2.0,7.575,0.505
-LKGCMKWVVVFMKA_on_Q14832_WT,High,ChEMBL30,CHEMBL4071962,NC1(C(=O)O)CC(NC(=O)c2cccc(Cl)c2)C2C(C(=O)O)C21,LKGCMKWVVVFMKA,LKGCMKWVVVFMKA-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-3-1-2-6(4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,16,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCClCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  9.330;  9.090,9.21,0.12,0.12,2.0,9.21,0.12
-LKJDRQPXFLQWCO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983863,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccnc(C(F)(F)F)c2)c3)cn1,LKJDRQPXFLQWCO,LKJDRQPXFLQWCO-UHFFFAOYSA-N,"InChI=1S/C21H16F3N5O/c1-29-11-14(10-27-29)16-9-18(20(25)30)28-17-7-12(2-3-15(16)17)6-13-4-5-26-19(8-13)21(22,23)24/h2-5,7-11H,6H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,15,14,19,20,17,28,27,6,29,3,16,18,4,13,5,12,7,22,8,23,24,25,26,9,21,30,11,2,10/E:(22,23,24)/rA:30CNCCCCCCNONCCCCCCCCCNCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s23;s23;s23;s18d22;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-LKJVCWCGQKSQDC_on_P41594_WT,Medium,ChEMBL30,CHEMBL4109320;CHEMBL3922273;CHEMBL3951176,COCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,LKJVCWCGQKSQDC,LKJVCWCGQKSQDC-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-22-13-16-12-20(18(21)23-16)17-10-9-15(11-19-17)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,12-13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,12,11,9,8,19,5,3,13,10,4,7,21,20,6,22,2,23/E:(3,4)(5,6)/rA:23COCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.750;  7.330;  6.560,7.212999999999999,0.493,0.348,3.0,7.33,0.42
-LKLWWZVGQOVNOG_on_P41594_WT,High,ChEMBL30,CHEMBL198715,CCOc1cc(Cl)cnc1Nc1nc(C)ccc1,LKLWWZVGQOVNOG,LKLWWZVGQOVNOG-UHFFFAOYSA-N,"InChI=1S/C13H14ClN3O/c1-3-18-11-7-10(14)8-15-13(11)17-12-6-4-5-9(2)16-12/h4-8H,3H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,15,2,17,16,18,5,8,14,6,4,12,10,7,9,13,11,3/rA:18CCOCCCClCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d6;s8;s4d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-LKNIJKKUVKJWHH_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,913218;CHEMBL444384,O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12,LKNIJKKUVKJWHH,LKNIJKKUVKJWHH-UHFFFAOYSA-N,"InChI=1S/C22H24N2O/c25-22(20-15-23-21-9-5-4-8-19(20)21)16-24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,15,18,23H,10-14,16H2","""AuxInfo=1/0/N:12,11,13,23,22,10,14,24,21,6,15,5,16,8,18,3,9,7,25,17,20,2,19,4,1/E:(2,3)(6,7)(10,11)(12,13)/rA:25OCCNCCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:1064684;CHEMBL3108300,PMID:24411196,2014.0,PubChemAID:1064684;PMID:24411196,2014,0;1,0,0,0,1;0,,=,  6.114;  6.110,6.112,0.002,0.002,2.0,6.112,0.002
-LKNOEOXYUAJUPU_on_O15399_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LKNOEOXYUAJUPU_on_O60391_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LKNOEOXYUAJUPU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LKNOEOXYUAJUPU_on_Q05586_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880;  8.000,7.44,0.56,0.56,2.0,7.44,0.56
-LKNOEOXYUAJUPU_on_Q12879_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LKNOEOXYUAJUPU_on_Q13224_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.000;  6.880,7.44,0.56,0.56,2.0,7.44,0.56
-LKNOEOXYUAJUPU_on_Q14957_WT,Low,ChEMBL30,CHEMBL360463,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1,LKNOEOXYUAJUPU,LKNOEOXYUAJUPU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,23,10,14,12,6,22/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCSNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s21;d21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LKNXEXHWNWMONZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408406;57389063,Cc1cccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)c1,LKNXEXHWNWMONZ,LKNXEXHWNWMONZ-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-5-4-6-12(9-11)19-16-18-10-13-14(21)7-8-17(2,3)15(13)20-16/h4-6,9-10H,7-8H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,18,4,3,5,14,15,21,10,2,6,11,12,19,8,16,9,7,20,13/E:(2,3)/rA:21CCCCCCNCNCCCOCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s16;s11s16;s8d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  5.980;  5.983,5.982,0.001,0.001,2.0,5.982,0.001
-LKSNWTCLZQUHDV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628100,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(C(F)(F)F)o1,LKSNWTCLZQUHDV,LKSNWTCLZQUHDV-UHFFFAOYSA-N,"InChI=1S/C20H10ClF3N2O4/c21-13-9-10(25-17(27)15-7-8-16(30-15)20(22,23)24)5-6-14(13)26-18(28)11-3-1-2-4-12(11)19(26)29/h1-9H,(H,25,27)","""AuxInfo=1/1/N:14,15,13,16,5,6,23,24,21,4,12,11,19,7,22,25,2,17,9,26,20,27,28,29,3,8,1,18,10,30/E:(1,2)(3,4)(11,12)(18,19)(22,23,24)(28,29)/rA:30OCNCCCCNCOCCCCCCCOCClCCCCCCFFFO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;s26;s26;s26;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-LKSZNNRJMOTSDY_on_O15399_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_O60391_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_Q05586_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_Q12879_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_Q13224_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKSZNNRJMOTSDY_on_Q14957_WT,Low,ChEMBL30,CHEMBL78411,CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1,LKSZNNRJMOTSDY,LKSZNNRJMOTSDY-UHFFFAOYSA-N,"InChI=1S/C21H29N3/c1-20(2,3)15-11-7-9-13-17(15)23-19(22)24-18-14-10-8-12-16(18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)","""AuxInfo=1/1/N:1,3,4,14,15,16,23,18,22,19,24,17,21,20,5,12,6,11,8,2,13,9,7,10/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:24CCCCCCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s8;s10;d11;s12;s13;s13;s13;s12;d17;s18;s11d19;s6;d21;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-LKUSWPRPRBXYPH_on_O00591_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_O14764_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P14867_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P18505_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P18507_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P28472_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P31644_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P34903_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P47869_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P47870_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P48169_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_P78334_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_Q16445_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LKUSWPRPRBXYPH_on_Q99928_WT,Low,ChEMBL30,CHEMBL184494,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1,LKUSWPRPRBXYPH,LKUSWPRPRBXYPH-UHFFFAOYSA-N,"InChI=1S/C17H11Cl3F3N3S/c1-27-16-13(8-3-2-4-10(18)5-8)15(24)26(25-16)14-11(19)6-9(7-12(14)20)17(21,22)23/h2-7H,24H2,1H3","""AuxInfo=1/0/N:1,26,27,25,22,9,15,21,10,23,7,16,20,6,18,3,11,24,8,17,12,13,14,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCClCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LLAKESJIQFAQJA_on_O00591_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL61683;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951;CHEMBL685366;CHEMBL681949,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  7.370;  7.700;  8.520,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_O14764_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL61683;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL685366;CHEMBL681951,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  8.520;  7.700;  7.370,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P14867_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  8.520;  7.370;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P18505_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  8.520;  7.370;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P18507_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL61683;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL685366;CHEMBL681951,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  8.520;  7.700;  7.370,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P28472_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  8.520;  7.370;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P31644_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  7.370;  8.520;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P34903_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL61683;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL685366;CHEMBL681949,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  7.370;  7.700;  8.520,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P47869_WT,Low,ChEMBL30,CHEMBL61683;CHEMBL1161036;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685366;CHEMBL681951;CHEMBL681949,PMID:1317920,1992.0,PMID:1317920;PMID:1331456;PMID:1331456,1992,1,0,0,0,0,,=,  7.700;  7.370;  8.520,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P47870_WT,Low,ChEMBL30,CHEMBL61683;CHEMBL1161036;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685366;CHEMBL681951;CHEMBL681949,PMID:1317920,1992.0,PMID:1317920;PMID:1331456;PMID:1331456,1992,1,0,0,0,0,,=,  7.700;  7.370;  8.520,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P48169_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  7.370;  8.520;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_P78334_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  8.520;  7.370;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  8.520;  7.370;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL1161036;CHEMBL61683,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949;CHEMBL685366,PMID:1317920,1992.0,PMID:1331456;PMID:1331456;PMID:1317920,1992,1,0,0,0,0,,=,  7.370;  8.520;  7.700,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_Q16445_WT,Low,ChEMBL30,CHEMBL1161036;CHEMBL61683;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL685366;CHEMBL681949,PMID:1317920,1992.0,PMID:1331456;PMID:1317920;PMID:1331456,1992,1,0,0,0,0,,=,  7.370;  7.700;  8.520,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLAKESJIQFAQJA_on_Q99928_WT,Low,ChEMBL30,CHEMBL61683;CHEMBL1161036;CHEMBL1161036,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2,LLAKESJIQFAQJA,LLAKESJIQFAQJA-UHFFFAOYSA-N,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)","""AuxInfo=1/1/N:17,1,9,8,14,15,11,19,3,10,12,7,18,4,20,6,16,2,21,22,13,5/rA:22CCCCOCCCCCCCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s20;s2w?20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685366;CHEMBL681949;CHEMBL681951,PMID:1317920,1992.0,PMID:1317920;PMID:1331456;PMID:1331456,1992,1,0,0,0,0,,=,  7.700;  8.520;  7.370,7.8629999999999995,0.483,0.342,3.0,7.7,0.33
-LLGYXBBXJKQNSU_on_P41594_WT,High,ChEMBL30,CHEMBL2151628,O=C(N1CCCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,LLGYXBBXJKQNSU,LLGYXBBXJKQNSU-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O2/c19-15-7-5-6-13(10-15)16-20-17(25-21-16)14-11-23(12-14)18(24)22-8-3-1-2-4-9-22/h5-7,10,14H,1-4,8-9,11-12H2","""AuxInfo=1/0/N:6,7,5,8,18,17,19,4,9,22,11,25,16,12,20,15,13,2,21,14,23,3,10,1,24/E:(1,2)(3,4)(8,9)(11,12)/rA:25OCNCCCCCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s7;s3s8;s2;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-LLHOBBAOOLYNKS_on_P41594_WT,High,ChEMBL30,CHEMBL3939007,Cc1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1,LLHOBBAOOLYNKS,LLHOBBAOOLYNKS-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22-20(17)24-23-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,8,18,7,9,17,19,6,10,16,20,12,2,5,15,11,3,4,14,22,13,21,24,23/E:(4,5)(6,7)(8,9)(10,11)/rA:24CCCCCCCCCCCCNCCCCCCCNCNN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;t12;s11;s14;d15;s16;d17;s18;s15d19;d14;s3s21;d22;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-LLHQBHOWDZNCNK_on_P14867_WT,Low,ChEMBL30,CHEMBL437877,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1,LLHQBHOWDZNCNK,LLHQBHOWDZNCNK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)12-5-6-15(20)14(8-12)13-4-3-7-21-9-13/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,17,12,19,9,26,11,14,13,20,10,5,7,2,21,18,8,25,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.090,9.09,0.0,0.0,1.0,9.09,0.0
-LLHQBHOWDZNCNK_on_P18507_WT,Low,ChEMBL30,CHEMBL437877,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1,LLHQBHOWDZNCNK,LLHQBHOWDZNCNK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)12-5-6-15(20)14(8-12)13-4-3-7-21-9-13/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,17,12,19,9,26,11,14,13,20,10,5,7,2,21,18,8,25,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863772;CHEMBL862572;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.090;  9.300;  8.790,9.06,0.209,0.14800000000000002,3.0,9.09,0.21
-LLHQBHOWDZNCNK_on_P28472_WT,Low,ChEMBL30,CHEMBL437877,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1,LLHQBHOWDZNCNK,LLHQBHOWDZNCNK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)12-5-6-15(20)14(8-12)13-4-3-7-21-9-13/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,17,12,19,9,26,11,14,13,20,10,5,7,2,21,18,8,25,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL862572;CHEMBL863774;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.300;  8.790;  9.090,9.06,0.209,0.14800000000000002,3.0,9.09,0.21
-LLHQBHOWDZNCNK_on_P31644_WT,Low,ChEMBL30,CHEMBL437877,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1,LLHQBHOWDZNCNK,LLHQBHOWDZNCNK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)12-5-6-15(20)14(8-12)13-4-3-7-21-9-13/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,17,12,19,9,26,11,14,13,20,10,5,7,2,21,18,8,25,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-LLHQBHOWDZNCNK_on_P34903_WT,Low,ChEMBL30,CHEMBL437877,CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1,LLHQBHOWDZNCNK,LLHQBHOWDZNCNK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)12-5-6-15(20)14(8-12)13-4-3-7-21-9-13/h3-11,26H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,22,17,12,19,9,26,11,14,13,20,10,5,7,2,21,18,8,25,6,24,4/E:(1,2)/rA:26CCCOCNCNCCCCCCCCCNCCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s20;s11d22;s7s10;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.790,8.79,0.0,0.0,1.0,8.79,0.0
-LLJUUCOIBTZXIJ_on_P14867_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111365,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-LLJUUCOIBTZXIJ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111365;CHEMBL1111367;CHEMBL1111355;CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.480;  8.060;  8.850;  7.620,8.003,0.534,0.308,4.0,7.84,0.29
-LLJUUCOIBTZXIJ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111367;CHEMBL1111365;CHEMBL1111355;CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.060;  7.480;  8.850;  7.620,8.003,0.534,0.308,4.0,7.84,0.29
-LLJUUCOIBTZXIJ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-LLJUUCOIBTZXIJ_on_P34903_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111367,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-LLJUUCOIBTZXIJ_on_P47869_WT,Low,ChEMBL30,CHEMBL1078985,Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,LLJUUCOIBTZXIJ,LLJUUCOIBTZXIJ-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,7,18,14,10,11,3,2,9,15,1,8,19,6,17,5/rA:19ClCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-LLLLOHWLVHBXQH_on_Q14416_WT,Low,ChEMBL30,CHEMBL595586,CCCc1cnc2c(C#N)c(N3CCN(c4ncccn4)CC3)ccn12,LLLLOHWLVHBXQH,LLLLOHWLVHBXQH-UHFFFAOYSA-N,"InChI=1S/C19H21N7/c1-2-4-15-14-23-18-16(13-20)17(5-8-26(15)18)24-9-11-25(12-10-24)19-21-6-3-7-22-19/h3,5-8,14H,2,4,9-12H2,1H3","""AuxInfo=1/0/N:1,2,19,3,24,18,20,25,13,23,14,22,9,5,4,8,11,7,16,10,17,21,6,12,15,26/E:(6,7)(9,10)(11,12)(21,22)/rA:26CCCCCNCCCNCNCCNCNCCCNCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s11;d24;s4s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LLPGTFFQQAMTJG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485329,CC1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1,LLPGTFFQQAMTJG,LLPGTFFQQAMTJG-UHFFFAOYSA-N,"InChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,7,18,8,17,11,16,12,15,3,5,2,6,9,10,13,19,14,4,20,21/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCNCCCCCCCCCClCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s10d15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-LLQUXMYKDFUCSC_on_Q14416_WT,High,ChEMBL30,CHEMBL4091203,NC1(C(=O)O)CC(NC(=O)c2cccc(F)c2)C2C(C(=O)O)C21,LLQUXMYKDFUCSC,LLQUXMYKDFUCSC-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-3-1-2-6(4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,16,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCFCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  6.670;  7.740,7.205,0.535,0.535,2.0,7.205,0.535
-LLQUXMYKDFUCSC_on_Q14832_WT,High,ChEMBL30,CHEMBL4091203,NC1(C(=O)O)CC(NC(=O)c2cccc(F)c2)C2C(C(=O)O)C21,LLQUXMYKDFUCSC,LLQUXMYKDFUCSC-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-3-1-2-6(4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,14,17,6,11,15,7,18,19,23,9,20,3,2,16,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCFCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.700;  8.680,8.69,0.01,0.01,2.0,8.69,0.01
-LLSVDDXZJBMZCP_on_P41594_WT,High,ChEMBL30,CHEMBL1779866,CC(C)N1CCc2c(ccc(C#Cc3ccccn3)n2)C1=O,LLSVDDXZJBMZCP,LLSVDDXZJBMZCP-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-13(2)21-12-10-17-16(18(21)22)9-8-15(20-17)7-6-14-5-3-4-11-19-14/h3-5,8-9,11,13H,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,13,12,10,9,6,18,5,2,14,11,8,7,21,19,20,4,22/E:(1,2)/rA:22CCCNCCCCCCCCCCCCCCNNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7d11;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  5.560;  7.570,6.565,1.005,1.005,2.0,6.565,1.005
-LLZVAIDABZBAGE_on_O00591_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_O14764_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P14867_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P18505_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P18507_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P28472_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P31644_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P34903_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P47869_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P47870_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P48169_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_P78334_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_Q16445_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LLZVAIDABZBAGE_on_Q99928_WT,Low,ChEMBL30,CHEMBL132561,Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N,LLZVAIDABZBAGE,LLZVAIDABZBAGE-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,5,8-9H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,8,7,9,14,6,10,15,13,3,2,5,4,16,19,20,11,12,17,18/E:(3,4)(6,7)(19,20)/rA:20CCCCCCCCCCNNCCCCOOCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;s15;d16;s16;s2s12;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LMAWBNGLLRTKAZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3966866,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(O)Cc2ccc(Cl)nc2)c3)cc1,LMAWBNGLLRTKAZ,LMAWBNGLLRTKAZ-UHFFFAOYSA-N,"InChI=1S/C24H20ClN3O3/c1-31-17-6-3-15(4-7-17)19-12-21(24(26)30)28-20-11-16(5-8-18(19)20)22(29)10-14-2-9-23(25)27-13-14/h2-9,11-13,22,29H,10H2,1H3,(H2,26,30)","""AuxInfo=1/1/N:1,23,5,30,17,4,31,16,24,21,29,8,28,22,6,18,3,15,7,14,9,19,25,10,26,11,27,13,20,12,2/E:(3,4)(6,7)/rA:31COCCCCCCCCNONCCCCCCOCCCCCClNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s25;s22d27;s14d18;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.960;  8.220;  7.920,8.033,0.133,0.094,3.0,7.96,0.04
-LMBNSWDDJGRCEX_on_Q13255_WT,High,ChEMBL30,CHEMBL3330813,C=Cc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1,LMBNSWDDJGRCEX,LMBNSWDDJGRCEX-UHFFFAOYSA-N,"InChI=1S/C20H14N2OS/c1-2-14-8-10-16(11-9-14)22-13-21-18-17(12-24-19(18)20(22)23)15-6-4-3-5-7-15/h2-13H,1H2","""AuxInfo=1/0/N:1,2,18,17,19,16,20,4,24,5,23,13,8,3,15,6,14,10,11,21,9,7,22,12/E:(4,5)(6,7)(8,9)(10,11)/rA:24CCCCCCNCNCCSCCCCCCCCCOCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-LMFIZWUAYDLCQH_on_Q05586_WT,Low,ChEMBL30,CHEMBL4206361,CC(=O)CCn1ccc2c1cc(-c1ccc(F)cc1)cn2,LMFIZWUAYDLCQH,LMFIZWUAYDLCQH-UHFFFAOYSA-N,"InChI=1S/C17H15FN2O/c1-12(21)6-8-20-9-7-16-17(20)10-14(11-19-16)13-2-4-15(18)5-3-13/h2-5,7,9-11H,6,8H2,1H3","""AuxInfo=1/0/N:1,14,19,15,18,4,8,5,7,11,20,2,13,12,16,9,10,17,21,6,3/E:(2,3)(4,5)/rA:21CCOCCNCCCCCCCCCCFCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s12;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-LMFIZWUAYDLCQH_on_Q13224_WT,Low,ChEMBL30,CHEMBL4206361,CC(=O)CCn1ccc2c1cc(-c1ccc(F)cc1)cn2,LMFIZWUAYDLCQH,LMFIZWUAYDLCQH-UHFFFAOYSA-N,"InChI=1S/C17H15FN2O/c1-12(21)6-8-20-9-7-16-17(20)10-14(11-19-16)13-2-4-15(18)5-3-13/h2-5,7,9-11H,6,8H2,1H3","""AuxInfo=1/0/N:1,14,19,15,18,4,8,5,7,11,20,2,13,12,16,9,10,17,21,6,3/E:(2,3)(4,5)/rA:21CCOCCNCCCCCCCCCCFCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s12;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-LMFVKBXAOJGUNG_on_P41594_WT,High,ChEMBL30,CHEMBL3601911,CC=CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,LMFVKBXAOJGUNG,LMFVKBXAOJGUNG-UHFFFAOYSA-N,"InChI=1S/C20H20ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h3-4,6-12,17H,5H2,1-2H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,24,2,3,4,22,21,11,12,15,28,26,23,14,20,16,5,18,7,9,17,10,25,27,19,6,8,13/rA:28CCCCCNCOCNCCSCCCClCNCCCCCNCNC/rB:s1;w?2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s5;d14;s15;s16;d16;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s14d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-LMJMBPXKXWIKQK_on_O00591_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_O14764_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_P14867_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.720;  5.600;  7.960,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P18505_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0,1;0;1,0,0,0,,=,  5.600;  7.960;  5.720,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P18507_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_P28472_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.960;  5.720;  5.600,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P31644_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.960;  5.720;  5.600,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P34903_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.960;  5.720;  5.600,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P47869_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.960;  5.600;  5.720,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P47870_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.720;  5.600;  7.960,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P48169_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.600;  5.720;  7.960,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_P78334_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMJMBPXKXWIKQK_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.720;  5.600;  7.960,6.4270000000000005,1.085,0.767,3.0,5.72,0.12
-LMJMBPXKXWIKQK_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427539,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1,LMJMBPXKXWIKQK,LMJMBPXKXWIKQK-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LMNBLDLDGTYNGM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2022167;70687686,CN1CCC(=O)N=C1NC(=O)Nc1cccc(C(F)(F)F)c1,LMNBLDLDGTYNGM,LMNBLDLDGTYNGM-UHFFFAOYSA-N,"InChI=1S/C13H13F3N4O2/c1-20-6-5-10(21)18-11(20)19-12(22)17-9-4-2-3-8(7-9)13(14,15)16/h2-4,7H,5-6H2,1H3,(H2,17,18,19,21,22)","""AuxInfo=1/1/N:1,15,16,14,4,3,22,17,13,5,8,10,18,19,20,21,12,7,9,2,6,11/E:(14,15,16)/rA:22CNCCCONCNCONCCCCCCFFFC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;s18;s18;s18;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194;PubChemAID:658105,PMID:22523618,2011.0,PMID:22523618;PubChemAID:658105,2011;2013,1;0,0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-LMOQYACPMUXBNC_on_O00222_WT,High,ChEMBL30,CHEMBL4088782,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1)C(=O)O,LMOQYACPMUXBNC,LMOQYACPMUXBNC-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)5-6-21(19,20)11(16)7-1-3-8(4-2-7)13(17)18/h1-4,9,11,16H,5-6,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:11,18,12,17,3,4,10,13,2,19,8,1,14,20,21,9,15,16,6,7,5/E:(1,2)(3,4)(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCN+OO-CCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.280;  6.310,6.295,0.015,0.015,2.0,6.295,0.015
-LMOQYACPMUXBNC_on_O15303_WT,High,ChEMBL30,CHEMBL4088782,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1)C(=O)O,LMOQYACPMUXBNC,LMOQYACPMUXBNC-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)5-6-21(19,20)11(16)7-1-3-8(4-2-7)13(17)18/h1-4,9,11,16H,5-6,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:11,18,12,17,3,4,10,13,2,19,8,1,14,20,21,9,15,16,6,7,5/E:(1,2)(3,4)(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCN+OO-CCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-LMOQYACPMUXBNC_on_Q14831_WT,Low,ChEMBL30,CHEMBL4088782,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1)C(=O)O,LMOQYACPMUXBNC,LMOQYACPMUXBNC-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)5-6-21(19,20)11(16)7-1-3-8(4-2-7)13(17)18/h1-4,9,11,16H,5-6,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:11,18,12,17,3,4,10,13,2,19,8,1,14,20,21,9,15,16,6,7,5/E:(1,2)(3,4)(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCN+OO-CCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LMOQYACPMUXBNC_on_Q14833_WT,High,ChEMBL30,CHEMBL4088782,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1)C(=O)O,LMOQYACPMUXBNC,LMOQYACPMUXBNC-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-9(10(14)15)5-6-21(19,20)11(16)7-1-3-8(4-2-7)13(17)18/h1-4,9,11,16H,5-6,12H2,(H,14,15)(H,19,20)","""AuxInfo=1/1/N:11,18,12,17,3,4,10,13,2,19,8,1,14,20,21,9,15,16,6,7,5/E:(1,2)(3,4)(14,15)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCOCCCCN+OO-CCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.420;  6.190,6.305,0.115,0.115,2.0,6.305,0.115
-LMRJEZVGVIPOMS_on_O15399_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_O60391_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_Q05586_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_Q12879_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_Q13224_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMRJEZVGVIPOMS_on_Q14957_WT,Low,ChEMBL30,CHEMBL43318,O=Nc1c(O)nc2ccc(Cl)cc2c1O,LMRJEZVGVIPOMS,LMRJEZVGVIPOMS-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-6-5(3-4)8(13)7(12-15)9(14)11-6/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:9,8,12,10,13,7,3,14,4,11,6,2,15,5,1/rA:15ONCCONCCCCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-LMSDTIYFINPURL_on_P41594_WT,Low,ChEMBL30,CHEMBL246839,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)c(F)c1,LMSDTIYFINPURL,LMSDTIYFINPURL-UHFFFAOYSA-N,"InChI=1S/C18H12ClFN4O/c1-11-22-17-14(10-21-24(17)12-5-3-2-4-6-12)18(25)23(11)13-7-8-15(19)16(20)9-13/h2-10H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,20,25,6,2,9,18,5,21,23,4,15,22,24,7,3,17,8,16/E:(3,4)(5,6)/rA:25CCNCCCNNCCCCCCCONCCCCClCFC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s23;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LMSDTIYFINPURL_on_Q13255_WT,High,ChEMBL30,CHEMBL246839,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)c(F)c1,LMSDTIYFINPURL,LMSDTIYFINPURL-UHFFFAOYSA-N,"InChI=1S/C18H12ClFN4O/c1-11-22-17-14(10-21-24(17)12-5-3-2-4-6-12)18(25)23(11)13-7-8-15(19)16(20)9-13/h2-10H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,20,25,6,2,9,18,5,21,23,4,15,22,24,7,3,17,8,16/E:(3,4)(5,6)/rA:25CCNCCCNNCCCCCCCONCCCCClCFC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s23;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-LMUQTTLGKCNYLK_on_P41594_WT,High,ChEMBL30,CHEMBL2151502,O=C(C1CCCCC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1,LMUQTTLGKCNYLK,LMUQTTLGKCNYLK-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2/c19-15-8-4-7-13(9-15)16-20-17(24-21-16)14-10-22(11-14)18(23)12-5-2-1-3-6-12/h4,7-9,12,14H,1-3,5-6,10-11H2","""AuxInfo=1/0/N:6,5,7,17,4,8,16,18,21,10,24,3,15,11,19,14,12,2,20,13,22,9,1,23/E:(2,3)(5,6)(10,11)/rA:24OCCCCCCCNCCCNCCCCCCFCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LMVPIOKBESEKNY_on_P41594_WT,High,ChEMBL30,CHEMBL3740162,O=C(Nc1cc(Br)ccc1)c1nc(Br)cs1,LMVPIOKBESEKNY,LMVPIOKBESEKNY-UHFFFAOYSA-N,"InChI=1S/C10H6Br2N2OS/c11-6-2-1-3-7(4-6)13-9(15)10-14-8(12)5-16-10/h1-5H,(H,13,15)","""AuxInfo=1/1/N:9,8,10,5,15,6,4,13,2,11,7,14,3,12,1,16/rA:16OCNCCCBrCCCCNCBrCS/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;d13;s11s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3744478,PMID:26598462,2016.0,PMID:26598462,2016,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-LMVRUGKRSYIUEW_on_P31644_WT,High,ChEMBL30,CHEMBL3681585,Cc1c(COC(c2ccc(C(N)=O)cn2)C2CC2)c(-c2ccc(Cl)cn2)no1,LMVRUGKRSYIUEW,LMVRUGKRSYIUEW-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O3/c1-11-15(18(25-28-11)16-7-5-14(21)9-24-16)10-27-19(12-2-3-12)17-6-4-13(8-23-17)20(22)26/h4-9,12,19H,2-3,10H2,1H3,(H2,22,26)","""AuxInfo=1/1/N:1,17,18,9,22,8,21,14,25,4,2,16,10,23,3,20,7,19,6,11,24,12,15,26,27,13,5,28/E:(2,3)/rA:28CCCCOCCCCCCNOCNCCCCCCCCClCNNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d11;s10;s7d14;s6;s16;s16s17;s3;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-LMWOXZHQXIIVQI_on_P14867_WT,Low,ChEMBL30,CHEMBL389680,Oc1noc(C2CCNCC2)c1-c1ccc(-c2ccccc2)cc1,LMWOXZHQXIIVQI,LMWOXZHQXIIVQI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)17-10-12-21-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:20,19,21,18,22,15,23,14,24,7,11,8,10,17,16,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.150;  7.150,7.15,0.0,0.0,2.0,7.15,0.0
-LMWOXZHQXIIVQI_on_P18507_WT,Low,ChEMBL30,CHEMBL389680,Oc1noc(C2CCNCC2)c1-c1ccc(-c2ccccc2)cc1,LMWOXZHQXIIVQI,LMWOXZHQXIIVQI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)17-10-12-21-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:20,19,21,18,22,15,23,14,24,7,11,8,10,17,16,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.150;  7.150,7.15,0.0,0.0,2.0,7.15,0.0
-LMWOXZHQXIIVQI_on_P28472_WT,Low,ChEMBL30,CHEMBL389680,Oc1noc(C2CCNCC2)c1-c1ccc(-c2ccccc2)cc1,LMWOXZHQXIIVQI,LMWOXZHQXIIVQI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)17-10-12-21-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:20,19,21,18,22,15,23,14,24,7,11,8,10,17,16,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCNOCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.150;  7.150,7.15,0.0,0.0,2.0,7.15,0.0
-LMXUGQJMQSMLIQ_on_O00591_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_O14764_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P14867_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P18505_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P18507_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P28472_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P31644_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P34903_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P41594_WT,High,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  6.530;  6.430,6.48,0.05,0.05,2.0,6.48,0.05
-LMXUGQJMQSMLIQ_on_P47869_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P47870_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P48169_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_P78334_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMXUGQJMQSMLIQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3407528,CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O,LMXUGQJMQSMLIQ,LMXUGQJMQSMLIQ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,7,22,6,23,19,3,15,8,20,18,5,17,4,24,21,14,2,16,25/E:(3,4)(5,6)/rA:25CNCCCCCCCCCCCNCNCCCCFCCCO/rB:s1;s2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;d14;s4s15;s16;d17;s18;d19;s20;s20;s17d22;s2s18;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-LMZHAMQHYOVXFF_on_P41594_WT,High,ChEMBL30,CHEMBL3644373,C#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,LMZHAMQHYOVXFF,LMZHAMQHYOVXFF-UHFFFAOYSA-N,"InChI=1S/C21H15N5OS/c1-2-14-10-25(12-23-14)20-8-19-17-5-3-4-16(18-11-28-13-24-18)15(17)6-7-26(19)21(27)9-22-20/h1,3-5,8,10-13H,6-7,9H2","""AuxInfo=1/0/N:1,2,17,18,16,13,12,26,8,4,21,27,23,3,14,19,15,20,25,6,9,7,28,24,5,11,10,22/rA:28CCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:t1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;s22;s20d23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-LMZHAMQHYOVXFF_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644373,C#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,LMZHAMQHYOVXFF,LMZHAMQHYOVXFF-UHFFFAOYSA-N,"InChI=1S/C21H15N5OS/c1-2-14-10-25(12-23-14)20-8-19-17-5-3-4-16(18-11-28-13-24-18)15(17)6-7-26(19)21(27)9-22-20/h1,3-5,8,10-13H,6-7,9H2","""AuxInfo=1/0/N:1,2,17,18,16,13,12,26,8,4,21,27,23,3,14,19,15,20,25,6,9,7,28,24,5,11,10,22/rA:28CCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:t1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;s22;s20d23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LMZKIRCZNPJKJL_on_P31644_WT,High,ChEMBL30,CHEMBL3676440,CC(C)NC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1,LMZKIRCZNPJKJL,LMZKIRCZNPJKJL-UHFFFAOYSA-N,"InChI=1S/C18H23FN4O3/c1-11(2)22-18(24)12-3-6-16(21-7-12)25-9-13-10-26-23-17(13)15-5-4-14(19)8-20-15/h3,6-7,10-11,14-15,20H,4-5,8-9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,8,20,19,9,26,23,12,14,2,7,13,21,18,10,17,5,22,24,25,4,16,6,11,15/E:(1,2)/rA:26CCCNCOCCCCOCCCONCCCCCFCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;s18;s19;s20;s21;s21;s18s23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-LNCCXRZYGUFCRQ_on_O15399_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_O60391_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNCCXRZYGUFCRQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365781,N=C(N)NN=Cc1cc(N)ccc1,LNCCXRZYGUFCRQ,LNCCXRZYGUFCRQ-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCNCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.650,3.65,0.0,0.0,1.0,3.65,0.0
-LNEGTGUJXPDVFJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3892447,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(F)cc2F)s1)c1ccccn1,LNEGTGUJXPDVFJ,LNEGTGUJXPDVFJ-UHFFFAOYSA-N,"InChI=1S/C17H10F5N3O3S2/c18-10-5-4-9(11(19)7-10)8-30(27,28)15-13(17(20,21)22)24-16(29-15)25-14(26)12-3-1-2-6-23-12/h1-7H,8H2,(H,24,25,26)","""AuxInfo=1/1/N:27,28,26,17,18,29,21,15,16,19,22,25,6,2,11,4,7,20,23,8,9,10,30,5,3,1,13,14,24,12/E:(20,21,22)(27,28)/CRV:30.6/rA:30OCNCNCCFFFCSOOCCCCCFCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;d18;s19;s19;s16d21;s22;s4s11;s2;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-LNERGVCUONPGBI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954513,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)cc1,LNERGVCUONPGBI,LNERGVCUONPGBI-UHFFFAOYSA-N,"InChI=1S/C22H19N3O4/c1-29-15-5-3-14(4-6-15)17-11-19(22(23)28)24-18-10-13(2-7-16(17)18)12-25-20(26)8-9-21(25)27/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,17,5,28,4,29,16,23,24,27,8,19,18,6,3,15,7,14,9,21,25,10,11,13,20,22,26,12,2/E:(3,4)(5,6)(8,9)(20,21)(26,27)/rA:29COCCCCCCCCNONCCCCCCNCOCCCOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;s14d18;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LNJSERBKBKMOEC_on_P18507_WT,Low,ChEMBL30,CHEMBL428023,CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,LNJSERBKBKMOEC,LNJSERBKBKMOEC-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,13,19,5,14,11,20,4,10,15,12,21,16,17,18,7,8,9/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s5;d7;s4s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-LNJSERBKBKMOEC_on_P28472_WT,High,ChEMBL30,CHEMBL428023,CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,LNJSERBKBKMOEC,LNJSERBKBKMOEC-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,13,19,5,14,11,20,4,10,15,12,21,16,17,18,7,8,9/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s5;d7;s4s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-LNJSERBKBKMOEC_on_P47869_WT,Low,ChEMBL30,CHEMBL428023,CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,LNJSERBKBKMOEC,LNJSERBKBKMOEC-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,13,19,5,14,11,20,4,10,15,12,21,16,17,18,7,8,9/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s5;d7;s4s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-LNJSERBKBKMOEC_on_P47870_WT,Low,ChEMBL30,CHEMBL428023,CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,LNJSERBKBKMOEC,LNJSERBKBKMOEC-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,13,19,5,14,11,20,4,10,15,12,21,16,17,18,7,8,9/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;s5;d7;s4s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-LNMIQRQVCNYWJI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3984753,Cc1c(S(=O)(=O)C(C)c2ccccc2F)sc(NC(=O)c2ccccn2)n1,LNMIQRQVCNYWJI,LNMIQRQVCNYWJI-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O3S2/c1-11-17(27(24,25)12(2)13-7-3-4-8-14(13)19)26-18(21-11)22-16(23)15-9-5-6-10-20-15/h3-10,12H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,8,11,12,23,24,10,13,22,25,2,7,9,14,21,19,3,17,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCCCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;s7;d9;s10;d11;s12;s9d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-LNMUMDXDLIUNRW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108112,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(CF)n1,LNMUMDXDLIUNRW,LNMUMDXDLIUNRW-UHFFFAOYSA-N,"InChI=1S/C22H19F6N3O2/c1-12-6-14(7-15(9-23)29-12)20-18-4-5-32-16(10-24)11-31(18)21(30-20)13-2-3-19(17(25)8-13)33-22(26,27)28/h2-3,6-8,16H,4-5,9-11H2,1H3","""AuxInfo=1/0/N:1,17,18,7,8,3,29,27,31,11,13,2,16,4,30,10,25,6,19,5,15,21,32,12,26,22,23,24,33,28,14,9,20/E:(26,27,28)/rA:33CCCCCCCCOCCFCNCCCCCOCFFFCFCNCCCFN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s30;s31;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-LNPLHXQOMCAECE_on_P14867_WT,Low,ChEMBL30,CHEMBL458316,CSC1SC(C(=O)c2cccc([N+](=O)[O-])c2)C2CC(C)(C)CC(=O)C12,LNPLHXQOMCAECE,LNPLHXQOMCAECE-UHFFFAOYSA-N,"InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3","""AuxInfo=1/0/N:20,21,1,10,9,11,16,18,22,8,12,17,23,25,6,5,3,19,13,24,7,14,15,2,4/E:(1,2)(22,23)/CRV:19.5/rA:25CSCSCCOCCCCCN+OO-CCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s13;s8d12;s5;s17;s18;s19;s19;s19;s22;d23;s3s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LNPLHXQOMCAECE_on_P31644_WT,Low,ChEMBL30,CHEMBL458316,CSC1SC(C(=O)c2cccc([N+](=O)[O-])c2)C2CC(C)(C)CC(=O)C12,LNPLHXQOMCAECE,LNPLHXQOMCAECE-UHFFFAOYSA-N,"InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3","""AuxInfo=1/0/N:20,21,1,10,9,11,16,18,22,8,12,17,23,25,6,5,3,19,13,24,7,14,15,2,4/E:(1,2)(22,23)/CRV:19.5/rA:25CSCSCCOCCCCCN+OO-CCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s13;s8d12;s5;s17;s18;s19;s19;s19;s22;d23;s3s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LNPSYDJGQQETLB_on_O00591_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_O14764_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P14867_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P18505_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P18507_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P28472_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P31644_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P34903_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P47869_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P47870_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P48169_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_P78334_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_Q16445_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPSYDJGQQETLB_on_Q99928_WT,Low,ChEMBL30,CHEMBL54416,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2,LNPSYDJGQQETLB,LNPSYDJGQQETLB-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-LNPVVDKIXXYELR_on_P18507_WT,Low,ChEMBL30,CHEMBL377556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F,LNPVVDKIXXYELR,LNPVVDKIXXYELR-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(14-8-12(22)6-7-16(14)24)17-9-26-28-20(31(17)29-21)13-4-2-3-5-15(13)23/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,30,26,22,7,4,27,13,25,18,31,23,6,24,12,9,28,19,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-LNPVVDKIXXYELR_on_P28472_WT,Low,ChEMBL30,CHEMBL377556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F,LNPVVDKIXXYELR,LNPVVDKIXXYELR-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(14-8-12(22)6-7-16(14)24)17-9-26-28-20(31(17)29-21)13-4-2-3-5-15(13)23/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,30,26,22,7,4,27,13,25,18,31,23,6,24,12,9,28,19,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-LNPVVDKIXXYELR_on_P34903_WT,Low,ChEMBL30,CHEMBL377556,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F,LNPVVDKIXXYELR,LNPVVDKIXXYELR-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(14-8-12(22)6-7-16(14)24)17-9-26-28-20(31(17)29-21)13-4-2-3-5-15(13)23/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,29,30,26,22,7,4,27,13,25,18,31,23,6,24,12,9,28,19,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-LNTUHOJEDYMHPB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3967254,O=C(c1ccc(F)cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1,LNTUHOJEDYMHPB,LNTUHOJEDYMHPB-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-6-4-14(5-7-15)20(26)24-8-9-25-18(12-24)11-17(23-25)13-27-19-3-1-2-16(22)10-19/h1-7,10-11H,8-9,12-13H2","""AuxInfo=1/0/N:20,21,19,4,9,5,8,11,12,24,25,27,16,3,6,22,15,26,18,2,7,23,14,10,13,1,17/E:(4,5)(6,7)/rA:27OCCCCCFCCNCCNNCCOCCCCCFCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s18d22;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-LNUXNUNUGIHCPA_on_Q14833_WT,High,ChEMBL30,CHEMBL1209431,Nc1nccc(C=Cc2ccccc2)n1,LNUXNUNUGIHCPA,LNUXNUNUGIHCPA-UHFFFAOYSA-N,"InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)","""AuxInfo=1/1/N:12,11,13,10,14,8,7,5,4,9,6,2,1,3,15/E:(2,3)(4,5)/rA:15NCNCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:20638279,2010.0,PMID:21688779,2011,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LNVHCNNRGWYUPV_on_Q05586_WT,Low,ChEMBL30,CHEMBL593450,CS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2cc(Cl)c(Cl)cc2)cc1,LNVHCNNRGWYUPV,LNVHCNNRGWYUPV-UHFFFAOYSA-N,"InChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-16-8-5-14(6-9-16)3-2-4-19(24)22-12-11-15-7-10-17(20)18(21)13-15/h5-10,13,23H,2-4,11-12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,11,10,12,8,26,25,7,27,24,17,16,19,9,18,6,22,20,13,23,21,15,5,14,3,4,2/E:(5,6)(8,9)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCCONCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-LNVHCNNRGWYUPV_on_Q13224_WT,Low,ChEMBL30,CHEMBL593450,CS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2cc(Cl)c(Cl)cc2)cc1,LNVHCNNRGWYUPV,LNVHCNNRGWYUPV-UHFFFAOYSA-N,"InChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-16-8-5-14(6-9-16)3-2-4-19(24)22-12-11-15-7-10-17(20)18(21)13-15/h5-10,13,23H,2-4,11-12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,11,10,12,8,26,25,7,27,24,17,16,19,9,18,6,22,20,13,23,21,15,5,14,3,4,2/E:(5,6)(8,9)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCCONCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-LNVIBVCDBGTKOO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388979;CHEMBL2408575,Cc1ncc(Nc2nc3c(cn2)C(=O)CC(C)C3)cc1,LNVIBVCDBGTKOO,LNVIBVCDBGTKOO-UHFFFAOYSA-N,"InChI=1S/C15H16N4O/c1-9-5-13-12(14(20)6-9)8-17-15(19-13)18-11-4-3-10(2)16-7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:17,1,20,19,18,15,4,11,16,2,5,10,9,13,7,3,12,6,8,14/rA:20CCNCCNCNCCCNCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s16;s9s16;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.955;  6.960,6.957000000000001,0.003,0.003,2.0,6.957000000000001,0.002
-LNWKMCTYBSXUHQ_on_P14867_WT,Low,ChEMBL30,CHEMBL2332214,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)O)ncn-21,LNWKMCTYBSXUHQ,LNWKMCTYBSXUHQ-UHFFFAOYSA-N,"InChI=1S/C19H12N4O2/c1-2-12-6-7-15-13(9-12)17(14-5-3-4-8-20-14)21-10-16-18(19(24)25)22-11-23(15)16/h1,3-9,11H,10H2,(H,24,25)","""AuxInfo=1/1/N:1,2,12,13,11,4,5,14,8,17,24,3,7,10,6,18,9,19,20,15,16,23,25,21,22/E:(24,25)/rA:25CCCCCCCCCCCCCCNNCCCCOONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s19;d23;s6s18s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-LNWKMCTYBSXUHQ_on_P18507_WT,Low,ChEMBL30,CHEMBL2332214,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)O)ncn-21,LNWKMCTYBSXUHQ,LNWKMCTYBSXUHQ-UHFFFAOYSA-N,"InChI=1S/C19H12N4O2/c1-2-12-6-7-15-13(9-12)17(14-5-3-4-8-20-14)21-10-16-18(19(24)25)22-11-23(15)16/h1,3-9,11H,10H2,(H,24,25)","""AuxInfo=1/1/N:1,2,12,13,11,4,5,14,8,17,24,3,7,10,6,18,9,19,20,15,16,23,25,21,22/E:(24,25)/rA:25CCCCCCCCCCCCCCNNCCCCOONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s19;d23;s6s18s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-LNWKMCTYBSXUHQ_on_P28472_WT,Low,ChEMBL30,CHEMBL2332214,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)O)ncn-21,LNWKMCTYBSXUHQ,LNWKMCTYBSXUHQ-UHFFFAOYSA-N,"InChI=1S/C19H12N4O2/c1-2-12-6-7-15-13(9-12)17(14-5-3-4-8-20-14)21-10-16-18(19(24)25)22-11-23(15)16/h1,3-9,11H,10H2,(H,24,25)","""AuxInfo=1/1/N:1,2,12,13,11,4,5,14,8,17,24,3,7,10,6,18,9,19,20,15,16,23,25,21,22/E:(24,25)/rA:25CCCCCCCCCCCCCCNNCCCCOONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s19;d23;s6s18s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-LNWKMCTYBSXUHQ_on_P34903_WT,Low,ChEMBL30,CHEMBL2332214,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)O)ncn-21,LNWKMCTYBSXUHQ,LNWKMCTYBSXUHQ-UHFFFAOYSA-N,"InChI=1S/C19H12N4O2/c1-2-12-6-7-15-13(9-12)17(14-5-3-4-8-20-14)21-10-16-18(19(24)25)22-11-23(15)16/h1,3-9,11H,10H2,(H,24,25)","""AuxInfo=1/1/N:1,2,12,13,11,4,5,14,8,17,24,3,7,10,6,18,9,19,20,15,16,23,25,21,22/E:(24,25)/rA:25CCCCCCCCCCCCCCNNCCCCOONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s19;d23;s6s18s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-LNYMBABMFUHLAP_on_P41594_WT,High,ChEMBL30,CHEMBL381482,CC(=O)Nc1nc(C#Cc2cnccc2)cs1,LNYMBABMFUHLAP,LNYMBABMFUHLAP-UHFFFAOYSA-N,"InChI=1S/C12H9N3OS/c1-9(16)14-12-15-11(8-17-12)5-4-10-3-2-6-13-7-10/h2-3,6-8H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,14,15,9,8,13,11,16,2,10,7,5,12,4,6,3,17/rA:17CCONCNCCCCCNCCCCS/rB:s1;d2;s2;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s5s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-LOBNIVNGRUTMOS_on_O00591_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_O14764_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P14867_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P18505_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P18507_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P28472_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P31644_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P34903_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P47869_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P47870_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P48169_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_P78334_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_Q16445_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOBNIVNGRUTMOS_on_Q99928_WT,Low,ChEMBL30,CHEMBL131516,N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O,LOBNIVNGRUTMOS,LOBNIVNGRUTMOS-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O2/c15-11-5-3-10(4-6-11)12-7-8-13(16)18(17-12)9-1-2-14(19)20/h3-8,16H,1-2,9H2,(H,19,20)","""AuxInfo=1/1/N:16,17,7,12,8,11,4,3,15,6,9,5,2,18,10,1,13,14,19,20/E:(3,4)(5,6)(19,20)/rA:20NCCCCCCCCClCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s9;s6d11;d5;s2s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-LOCKQNUKWBIMMS_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL184531;11510036,Cc1c(OCc2ccc(CSc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O,LOCKQNUKWBIMMS,LOCKQNUKWBIMMS-UHFFFAOYSA-N,"InChI=1S/C25H27NO3S/c1-17(2)14-23(27)22-8-9-24(18(3)25(22)28)29-15-19-4-6-20(7-5-19)16-30-21-10-12-26-13-11-21/h4-13,17,28H,14-16H2,1-3H3","""AuxInfo=1/0/N:27,28,1,7,19,8,18,21,20,13,17,14,16,25,5,10,26,2,6,9,12,22,23,3,29,15,24,30,4,11/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:30CCCOCCCCCCSCCCNCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s3;d20;s21;s22;d23;s23;s25;s26;s26;s2d22;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  6.110;  6.114,6.112,0.002,0.002,2.0,6.112,0.002
-LOCPVWIREQIGNQ_on_O00222_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOCPVWIREQIGNQ_on_O15303_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOCPVWIREQIGNQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712;CHEMBL715726,PMID:10639281,1999.0,PMID:10893301;PMID:10639281,2000;1999,0;1,0,0,1;0,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-LOCPVWIREQIGNQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOCPVWIREQIGNQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOCPVWIREQIGNQ_on_Q14832_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOCPVWIREQIGNQ_on_Q14833_WT,Low,ChEMBL30,CHEMBL88553,Cc1nc(N=Nc2ccccc2)c(O)cc1,LOCPVWIREQIGNQ,LOCPVWIREQIGNQ-UHFFFAOYSA-N,"InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,16,15,2,7,13,4,3,6,5,14/E:(3,4)(5,6)/rA:16CCNCNNCCCCCCCOCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LODLLRMOQYZKNX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546042;CHEMBL3087506,Cc1cc(C#CC2(O)CC3CCC(C2)N3S(C)(=O)=O)ccc1,LODLLRMOQYZKNX,LODLLRMOQYZKNX-UHFFFAOYSA-N,"InChI=1S/C17H21NO3S/c1-13-4-3-5-14(10-13)8-9-17(19)11-15-6-7-16(12-17)18(15)22(2,20)21/h3-5,10,15-16,19H,6-7,11-12H2,1-2H3","""AuxInfo=1/0/N:1,17,21,22,20,11,12,5,6,3,9,14,2,4,10,13,7,15,8,18,19,16/E:(6,7)(11,12)(15,16)(20,21)/CRV:22.6/rA:22CCCCCCCOCCCCCCNSCOOCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;s16;d16;d16;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.240;  6.240,6.24,0.0,0.0,2.0,6.24,0.0
-LODWVHSNNGQTKI_on_P18507_WT,Low,ChEMBL30,CHEMBL378217,Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F,LODWVHSNNGQTKI,LODWVHSNNGQTKI-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,15,24,27,14,16,20,7,4,23,28,21,13,6,22,12,9,29,5,19,3,18,10,2,11,17,8/rA:29CNNCNCCOCNNCCCCCONNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-LODWVHSNNGQTKI_on_P28472_WT,Low,ChEMBL30,CHEMBL378217,Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F,LODWVHSNNGQTKI,LODWVHSNNGQTKI-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,15,24,27,14,16,20,7,4,23,28,21,13,6,22,12,9,29,5,19,3,18,10,2,11,17,8/rA:29CNNCNCCOCNNCCCCCONNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-LODWVHSNNGQTKI_on_P34903_WT,Low,ChEMBL30,CHEMBL378217,Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F,LODWVHSNNGQTKI,LODWVHSNNGQTKI-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,15,24,27,14,16,20,7,4,23,28,21,13,6,22,12,9,29,5,19,3,18,10,2,11,17,8/rA:29CNNCNCCOCNNCCCCCONNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-LOFKMRMDVCEZEF_on_P14867_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.810;  6.810,6.81,0.0,0.0,2.0,6.81,0.0
-LOFKMRMDVCEZEF_on_P18507_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683047;CHEMBL823916;CHEMBL685338;CHEMBL822165;CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL683045;CHEMBL681480;CHEMBL824296,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648,1998;1998;1998;1998;2000;2000;2000;2000;2000;1998,0,0,0,1,0,,=,  6.570;  6.910;  8.070;  6.810;  6.810;  7.060;  6.910;  6.570;  8.070;  7.060,7.084,0.518,0.17300000000000001,10.0,6.91,0.15
-LOFKMRMDVCEZEF_on_P28472_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL681248;CHEMBL682251;CHEMBL683045;CHEMBL678329;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  6.910;  6.570;  6.810;  7.060;  8.070;  7.060;  6.910;  6.570;  6.810;  8.070,7.084,0.518,0.17300000000000001,10.0,6.91,0.15
-LOFKMRMDVCEZEF_on_P31644_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.070;  8.070,8.07,0.0,0.0,2.0,8.07,0.0
-LOFKMRMDVCEZEF_on_P34903_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.910;  6.910,6.91,0.0,0.0,2.0,6.91,0.0
-LOFKMRMDVCEZEF_on_P47869_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.060;  7.060,7.06,0.0,0.0,2.0,7.06,0.0
-LOFKMRMDVCEZEF_on_Q16445_WT,Low,ChEMBL30,CHEMBL133705,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21,LOFKMRMDVCEZEF,LOFKMRMDVCEZEF-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-4-12-5-6-14-13(9-12)20(26)24-8-7-15(24)17-16(21-10-25(14)17)19-22-18(11(2)3)23-27-19/h1,5-6,9-11,15H,7-8H2,2-3H3","""AuxInfo=1/0/N:1,21,22,2,4,5,13,12,8,26,20,3,7,6,14,16,15,19,17,9,25,18,23,11,27,10,24/E:(2,3)/rA:27CCCCCCCCCONCCCCCCNCCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;s20;d19;s17s23;s16;d25;s6s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.570;  6.570,6.57,0.0,0.0,2.0,6.57,0.0
-LOJOPYOAYAJECX_on_Q14833_WT,Low,ChEMBL30,CHEMBL1922765,O=C(COc1ccccc1-c1cncnc1)c1ccc(Cl)nc1,LOJOPYOAYAJECX,LOJOPYOAYAJECX-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c18-17-6-5-12(9-21-17)15(22)10-23-16-4-2-1-3-14(16)13-7-19-11-20-8-13/h1-9,11H,10H2","""AuxInfo=1/0/N:8,7,9,6,18,19,12,16,23,3,14,17,11,10,2,5,20,21,13,15,22,1,4/E:(7,8)(19,20)/rA:23OCCOCCCCCCCCNCNCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOMSLDJIIXJYGF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL198428;44404889,CCOc1cc(-c2nscc2)cnc1Nc1nc(C)ccc1,LOMSLDJIIXJYGF,LOMSLDJIIXJYGF-UHFFFAOYSA-N,"InChI=1S/C16H16N4OS/c1-3-21-14-9-12(13-7-8-22-20-13)10-17-16(14)19-15-6-4-5-11(2)18-15/h4-10H,3H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,19,2,21,20,22,11,10,5,12,18,6,7,4,16,14,13,17,15,8,3,9/rA:22CCOCCCCNSCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s7d10;d6;s12;s4d13;s14;s15;d16;s17;s18;d18;s20;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.610;  6.614,6.612,0.002,0.002,2.0,6.612,0.002
-LONSXQUVBDJUFV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3961899,CN(C(=O)c1ccc(C#Cc2cncc(Cl)c2)cn1)C(C)(C)C,LONSXQUVBDJUFV,LONSXQUVBDJUFV-UHFFFAOYSA-N,"InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)16-8-7-13(11-21-16)5-6-14-9-15(19)12-20-10-14/h7-12H,1-4H3","""AuxInfo=1/0/N:21,22,23,1,9,10,7,6,17,12,18,14,8,11,15,5,3,20,16,13,19,2,4/E:(1,2,3)/rA:23CNCOCCCCCCCCNCCClCCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888361;CHEMBL3888360,PATENT:US9328070B2,2016.0,PATENT:US9328070B2,2016,0,0;1,0,1;0,0,,=,  7.380;  7.770,7.575,0.195,0.195,2.0,7.575,0.195
-LOQMCKKNAOVTIT_on_O15399_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_O60391_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_Q05586_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_Q12879_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_Q13224_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LOQMCKKNAOVTIT_on_Q14957_WT,Low,ChEMBL30,CHEMBL302292,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1,LOQMCKKNAOVTIT,LOQMCKKNAOVTIT-UHFFFAOYSA-N,"InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2","""AuxInfo=1/0/N:17,22,4,25,18,21,3,26,12,23,11,24,6,15,9,5,16,19,2,7,13,20,10,1,8,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCOCNCCCOCCCCCBrCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s13;s10s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-LORMCGPDRBOOEU_on_O00591_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_O14764_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P14867_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P18505_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P18507_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P28472_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P31644_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P34903_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P47869_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P47870_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P48169_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_P78334_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_Q16445_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LORMCGPDRBOOEU_on_Q99928_WT,Low,ChEMBL30,CHEMBL71079,CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2,LORMCGPDRBOOEU,LORMCGPDRBOOEU-UHFFFAOYSA-N,"InChI=1S/C26H22N4O2/c1-29-20-14-8-6-12-18(20)16-22(29)25(31)28-24-26(32)30(2)21-15-9-7-13-19(21)23(27-24)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,31)","""AuxInfo=1/1/N:18,1,24,23,25,15,31,14,30,22,26,16,32,13,29,10,21,11,27,12,28,9,20,5,7,3,19,6,17,2,8,4/E:(4,5)(10,11)/rA:32CNCOCNCOCCCCCCCCNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s17;s5;w?19;s20;d21;s22;d23;s24;s21d25;s20;s2d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LOSIBJWVNZTWKF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108446,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(Cl)c3)n2)cc(C)n1,LOSIBJWVNZTWKF,LOSIBJWVNZTWKF-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O/c1-12-7-15(8-13(2)25-12)20-19-5-6-28-16(10-23)11-27(19)21(26-20)14-3-4-18(24)17(22)9-14/h3-4,7-9,16H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,27,17,18,7,8,3,25,23,11,13,2,26,16,4,10,21,19,6,5,15,22,12,20,28,24,14,9/E:(1,2)(7,8)(12,13)/rA:28CCCCCCCCOCCFCNCCCCCFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LOTFMHWXZABBHM_on_Q13255_WT,High,ChEMBL30,CHEMBL3759028,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1,LOTFMHWXZABBHM,LOTFMHWXZABBHM-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(12(20)7-10)25-18(27)11-3-2-4-13(21)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,28,3,2,10,17,26,21,13,18,6,7,15,19,27,22,4,9,5,14,8,16,20/rA:28CCCNNCCONCCCCNCOCCCOCFCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.220;  7.650,6.935,0.715,0.715,2.0,6.935,0.715
-LOTFMHWXZABBHM_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759028,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1,LOTFMHWXZABBHM,LOTFMHWXZABBHM-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(12(20)7-10)25-18(27)11-3-2-4-13(21)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,28,3,2,10,17,26,21,13,18,6,7,15,19,27,22,4,9,5,14,8,16,20/rA:28CCCNNCCONCCCCNCOCCCOCFCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_O00222_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2426819,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_P41594_WT,High,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;CHEMBL2426830,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PMID:23947773,2011;2011;2013,0,1,0,0,0,,=,  6.460;  6.460;  5.670,6.197,0.37200000000000005,0.263,3.0,6.46,0.0
-LOURISIOISPYCO_on_Q13255_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2426825,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_Q14416_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2426824,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_Q14831_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2426820,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_Q14832_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2426822,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURISIOISPYCO_on_Q14833_WT,Low,ChEMBL30,CHEMBL1682820,O=C1CCOc2c1ccc(COc1ccccc1)c2,LOURISIOISPYCO,LOURISIOISPYCO-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,11,10,13,7,2,6,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2426823,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LOURSPHCTWCCLM_on_Q05586_WT,Low,ChEMBL30,CHEMBL159453,N=C(C=Cc1ccccc1)NCc1c(C(F)(F)F)cccc1,LOURSPHCTWCCLM,LOURSPHCTWCCLM-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,21,20,6,10,22,19,4,3,12,5,13,14,2,15,16,17,18,1,11/E:(2,3)(6,7)(18,19,20)/rA:22NCCCCCCCCCNCCCCFFFCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;s15;s15;s14;d19;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-LOURSPHCTWCCLM_on_Q13224_WT,Low,ChEMBL30,CHEMBL159453,N=C(C=Cc1ccccc1)NCc1c(C(F)(F)F)cccc1,LOURSPHCTWCCLM,LOURSPHCTWCCLM-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,21,20,6,10,22,19,4,3,12,5,13,14,2,15,16,17,18,1,11/E:(2,3)(6,7)(18,19,20)/rA:22NCCCCCCCCCNCCCCFFFCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;s15;s15;s14;d19;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-LOVIYIVYLOJFCE_on_P41594_WT,High,ChEMBL30,CHEMBL2365688,CCC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1,LOVIYIVYLOJFCE,LOVIYIVYLOJFCE-UHFFFAOYSA-N,"InChI=1S/C24H26N6OS/c1-5-14-12-17(14)23(31)26-24-21(19-7-6-8-20(25-19)29(2)3)22(28-32-24)15-9-10-18-16(11-15)13-30(4)27-18/h6-11,13-14,17H,5,12H2,1-4H3,(H,26,31)","""AuxInfo=1/1/N:1,17,18,26,2,13,12,14,30,29,22,4,24,3,21,23,5,28,11,15,10,20,6,9,19,8,27,31,16,25,7,32/E:(2,3)/rA:32CCCCCCONCCCCCCCNCCNCCCCCNCNCCCNS/rB:s1;s2;s3;s3s4;s5;d6;s6;s8;d9;s10;d11;s12;d13;s14;s15;s16;s16;s11d15;s10;s20;d21;s22;d23;s24;s25;s25;s23d27;s28;s21d29;d20;s9s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-LOVIYIVYLOJFCE_on_Q13255_WT,Low,ChEMBL30,CHEMBL2365688,CCC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1,LOVIYIVYLOJFCE,LOVIYIVYLOJFCE-UHFFFAOYSA-N,"InChI=1S/C24H26N6OS/c1-5-14-12-17(14)23(31)26-24-21(19-7-6-8-20(25-19)29(2)3)22(28-32-24)15-9-10-18-16(11-15)13-30(4)27-18/h6-11,13-14,17H,5,12H2,1-4H3,(H,26,31)","""AuxInfo=1/1/N:1,17,18,26,2,13,12,14,30,29,22,4,24,3,21,23,5,28,11,15,10,20,6,9,19,8,27,31,16,25,7,32/E:(2,3)/rA:32CCCCCCONCCCCCCCNCCNCCCCCNCNCCCNS/rB:s1;s2;s3;s3s4;s5;d6;s6;s8;d9;s10;d11;s12;d13;s14;s15;s16;s16;s11d15;s10;s20;d21;s22;d23;s24;s25;s25;s23d27;s28;s21d29;d20;s9s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-LOWXUZGNQAPILA_on_Q14416_WT,High,ChEMBL30,CHEMBL4088960,Clc1c(OC2CCOCC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1,LOWXUZGNQAPILA,LOWXUZGNQAPILA-UHFFFAOYSA-N,"InChI=1S/C21H21Cl2N3O2/c22-17-12-14(3-4-18(17)28-15-6-9-27-10-7-15)16-5-8-26-19(11-13-1-2-13)24-25-21(26)20(16)23/h3-5,8,12-13,15H,1-2,6-7,9-11H2","""AuxInfo=1/0/N:23,24,12,11,27,6,10,26,7,9,21,28,22,13,5,14,2,3,20,15,17,1,16,19,18,25,8,4/E:(1,2)(6,7)(9,10)/rA:28ClCCOCCCOCCCCCCCClCNNCCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s5s9;s3;d11;s12;s13;d14;s15;s15;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s14d26;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040507;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;1;0,0;0;1,0,,=,  6.650;  7.550;  7.640,7.28,0.447,0.316,3.0,7.55,0.09
-LOXWKLFMYXFLCK_on_Q13255_WT,High,ChEMBL30,CHEMBL1951686,COc1ccc(-n2ccc3c(sc4c3c(NCC(C)O)ccn4)c2=O)cc1,LOXWKLFMYXFLCK,LOXWKLFMYXFLCK-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3S/c1-12(24)11-22-16-7-9-21-19-17(16)15-8-10-23(20(25)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-10,12,24H,11H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:19,1,5,26,4,27,21,9,22,8,17,18,6,3,10,15,14,11,13,24,23,16,7,20,25,2,12/E:(3,4)(5,6)/rA:27COCCCCNCCCCSCCCNCCCOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s18;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-LOYPQZVPOZXXGP_on_Q14833_WT,High,ChEMBL30,CHEMBL4248724,Cn1nc(C(=O)N2CCCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,LOYPQZVPOZXXGP,LOYPQZVPOZXXGP-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-15-11-12(21-18-17-14(22-23-18)5-4-8-20-17)6-7-13(15)16(24-25)19(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,9,10,21,22,26,27,20,8,11,14,15,12,23,13,4,18,17,5,19,16,24,25,3,2,7,6/E:(2,3)(9,10)/rA:27CNNCCONCCCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s7s10;s4;s2d12;s13;d14;s15;s16;d17;s18;d19;s20;d21;s18s22;d23;s17s24;s15;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-LPACTZLRTNDZIB_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL392164;16659799,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)sc(O)n3)c2=O)cc1,LPACTZLRTNDZIB,LPACTZLRTNDZIB-UHFFFAOYSA-N,"InChI=1S/C17H10N4O2S2/c1-8-2-4-9(5-3-8)21-7-19-13-11-12-10(24-17(23)20-12)6-18-15(11)25-14(13)16(21)22/h2-7H,1H3,(H,20,23)","""AuxInfo=1/1/N:1,3,25,4,24,16,7,2,5,15,13,14,9,10,12,22,19,17,8,21,6,23,20,18,11/E:(2,3)(4,5)/rA:25CCCCCNCNCCSCCCCCNSCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s14d19;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859;PubChemAID:302748,PMID:17929793,2007.0,PMID:17929793;PubChemAID:302748,2007;2010,1;0,0,0,0,0;1,,=,  6.350;  6.351,6.351,0.0,0.0,2.0,6.351,0.001
-LPAODQAWVMEXKR_on_O00591_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_O14764_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_P14867_WT,Medium,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-LPAODQAWVMEXKR_on_P18505_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_P18507_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685337;CHEMBL678329;CHEMBL822162;CHEMBL824294;CHEMBL823761;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL1273619;CHEMBL1273615;CHEMBL1273618;CHEMBL1273616;CHEMBL650075;CHEMBL1273617,PMID:9435905,1997.0,PMID:9651158;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9435905;PMID:20888240,1998;2000;1998;1998;1998;2000;2000;2000;2010;2010;2010;2010;1997;2010,0;0;0;0;0;0;0;0;0;0;0;0;1;0,0,0,1;1;1;1;1;1;1;1;1;1;1;1;0;1,0,,=,  6.230;  8.280;  8.280;  7.280;  7.160;  6.230;  7.160;  7.280;  6.230;  8.280;  6.000;  7.280;  7.960;  7.160,7.2010000000000005,0.773,0.214,14.0,7.22,0.865
-LPAODQAWVMEXKR_on_P28472_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL685337;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL822162;CHEMBL823761;CHEMBL1273619;CHEMBL1273618;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL650075;CHEMBL824294,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9435905;PMID:9651158,2000;1998;2000;2000;2000;1998;1998;2010;2010;2010;2010;2010;1997;1998,0;0;0;0;0;0;0;0;0;0;0;0;1;0,0,0,1;1;1;1;1;1;1;1;1;1;1;1;0;1,0,,=,  6.230;  6.230;  7.160;  7.280;  8.280;  8.280;  7.160;  6.230;  6.000;  8.280;  7.160;  7.280;  7.960;  7.280,7.2010000000000005,0.773,0.214,14.0,7.22,0.865
-LPAODQAWVMEXKR_on_P31644_WT,Medium,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-LPAODQAWVMEXKR_on_P34903_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL1273617;CHEMBL823761;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:20888240;PMID:9651158;PMID:10633039,1997;2010;1998;2000,1;0;0;0,0,0,0;1;1;1,0,,=,  7.960;  7.160;  7.160;  7.160,7.36,0.34600000000000003,0.2,4.0,7.16,0.0
-LPAODQAWVMEXKR_on_P47869_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075;CHEMBL1273616;CHEMBL824294;CHEMBL681248,PMID:9435905,1997.0,PMID:9435905;PMID:20888240;PMID:9651158;PMID:10633039,1997;2010;1998;2000,1;0;0;0,0,0,0;1;1;1,0,,=,  7.960;  7.280;  7.280;  7.280,7.45,0.294,0.17,4.0,7.28,0.0
-LPAODQAWVMEXKR_on_P47870_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_P48169_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  6.000;  7.960,6.98,0.98,0.98,2.0,6.98,0.98
-LPAODQAWVMEXKR_on_P78334_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_Q16445_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPAODQAWVMEXKR_on_Q99928_WT,Low,ChEMBL30,CHEMBL52750,CCCOc1ncc2[nH]c3c(cccc3)c2c1,LPAODQAWVMEXKR,LPAODQAWVMEXKR-UHFFFAOYSA-N,"InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,3,17,7,11,16,10,8,5,6,9,4/rA:17CCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8s11;s5d16;/rC:;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-LPDKQEPRDJFFLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507;CHEMBL3297508,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.860;  4.530,4.695,0.165,0.165,2.0,4.695,0.165
-LPDKQEPRDJFFLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297510;CHEMBL3297508;CHEMBL3297509;CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.800;  4.530;  4.830;  4.860,4.755,0.132,0.076,4.0,4.815,0.03
-LPDKQEPRDJFFLZ_on_P28472_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3297508,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.530,4.53,0.0,0.0,1.0,4.53,0.0
-LPDKQEPRDJFFLZ_on_P34903_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3297510,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-LPDKQEPRDJFFLZ_on_P47869_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3297509,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.830,4.83,0.0,0.0,1.0,4.83,0.0
-LPDKQEPRDJFFLZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3289196,CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2,LPDKQEPRDJFFLZ,LPDKQEPRDJFFLZ-UHFFFAOYSA-N,"InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,3,7,14,13,15,12,21,20,4,6,17,23,16,19,18,10,5,11,22,24/E:(1,2)(3,4)(5,6)(13,14)/rA:24CCCCNCCCCCOCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;w?12;s13;w?14;s15;d16;s17;d18;s19;s16d20;s19;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507;CHEMBL3297509;CHEMBL3297510,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.860;  4.830;  4.800,4.83,0.024,0.017,3.0,4.83,0.03
-LPEKEPLZQKHSPL_on_Q05586_WT,Low,ChEMBL30,CHEMBL478666,Clc1cc2c(cc1)c(NCCCNCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2,LPEKEPLZQKHSPL,LPEKEPLZQKHSPL-UHFFFAOYSA-N,"InChI=1S/C31H33ClN4O/c32-21-14-15-24-28(20-21)36-26-11-4-2-9-23(26)31(24)34-18-6-16-33-17-7-19-37-29-13-5-12-27-30(29)22-8-1-3-10-25(22)35-27/h1,3,5,8,10,12-15,20,33,35H,2,4,6-7,9,11,16-19H2,(H,34,36)","""AuxInfo=1/1/N:28,33,27,34,20,11,15,29,32,26,35,21,19,7,6,12,14,10,16,3,2,24,31,5,25,36,22,4,18,23,8,1,13,9,30,37,17/rA:37ClCCCCCCCNCCCNCCCOCCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s25;d26;s27;s24d28;s22s25;d8;s31;s32;s33;s34;s31s35;s4d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-LPEKEPLZQKHSPL_on_Q13224_WT,Low,ChEMBL30,CHEMBL478666,Clc1cc2c(cc1)c(NCCCNCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2,LPEKEPLZQKHSPL,LPEKEPLZQKHSPL-UHFFFAOYSA-N,"InChI=1S/C31H33ClN4O/c32-21-14-15-24-28(20-21)36-26-11-4-2-9-23(26)31(24)34-18-6-16-33-17-7-19-37-29-13-5-12-27-30(29)22-8-1-3-10-25(22)35-27/h1,3,5,8,10,12-15,20,33,35H,2,4,6-7,9,11,16-19H2,(H,34,36)","""AuxInfo=1/1/N:28,33,27,34,20,11,15,29,32,26,35,21,19,7,6,12,14,10,16,3,2,24,31,5,25,36,22,4,18,23,8,1,13,9,30,37,17/rA:37ClCCCCCCCNCCCNCCCOCCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s25;d26;s27;s24d28;s22s25;d8;s31;s32;s33;s34;s31s35;s4d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-LPHOQPNAZMCPJN_on_P41594_WT,High,ChEMBL30,CHEMBL4090008,O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1,LPHOQPNAZMCPJN,LPHOQPNAZMCPJN-UHFFFAOYSA-N,"InChI=1S/C21H11Cl3FNO2S/c22-13-3-1-12(2-4-13)21-18-6-5-16(25)10-19(18)26-11-20(21)29(27,28)17-8-14(23)7-15(24)9-17/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,20,8,5,11,16,13,23,26,6,9,17,4,21,15,12,22,27,7,10,18,14,1,3,2/E:(1,2)(3,4)(8,9)(14,15)(23,24)(27,28)/CRV:29.6/rA:29OSOCCCClCCClCCCNCCCFCCCCCCCCClCC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-LPKBUGHEXSSVCI_on_P14867_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-LPKBUGHEXSSVCI_on_P18507_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.970;  7.340;  6.380;  6.400,6.772,0.40399999999999997,0.233,4.0,6.685,0.295
-LPKBUGHEXSSVCI_on_P28472_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.380;  7.340;  6.970;  6.400,6.772,0.40399999999999997,0.233,4.0,6.685,0.295
-LPKBUGHEXSSVCI_on_P31644_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-LPKBUGHEXSSVCI_on_P34903_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-LPKBUGHEXSSVCI_on_P47869_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-LPKBUGHEXSSVCI_on_Q16445_WT,Low,ChEMBL30,CHEMBL368179,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1,LPKBUGHEXSSVCI,LPKBUGHEXSSVCI-UHFFFAOYSA-N,"InChI=1S/C17H20N4O3/c1-3-6-24-10-4-5-13-11(7-10)15-12(9-23-2)16(17(22)21-18)19-8-14(15)20-13/h4-5,7-8,20H,3,6,9,18H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,15,2,6,7,3,24,22,13,5,23,12,8,10,11,16,17,20,21,9,19,18,14,4/rA:24CCCOCCCCNCCCCOCCCONNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s16;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-LPLSBZHUNYOLMU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784101,Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1,LPLSBZHUNYOLMU,LPLSBZHUNYOLMU-UHFFFAOYSA-N,"InChI=1S/C16H10F4N2O2/c1-7-6-10(16(18,19)20)11-12(21)14(24-15(11)22-7)13(23)8-2-4-9(17)5-3-8/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,16,21,17,20,3,2,15,18,4,9,10,13,12,23,5,19,6,7,8,11,24,14,22/E:(2,3)(4,5)(18,19,20)/rA:24CCCCCFFFCCNCCOCCCCFCCOCN/rB:s1;d2;s3;s4;s5;s5;s5;d4;s9;s10;d10;s12;d13;s13;d15;s16;d17;s18;s18;s15d20;s12;s9s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-LPLYGBSNNGNFAY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110486,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C)n1,LPLYGBSNNGNFAY,LPLYGBSNNGNFAY-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-13-9-17(5-6-20(13)30-23(24)25)22-27-21(18-10-14(2)26-15(3)11-18)19-7-8-29-16(4)12-28(19)22/h5-6,9-11,16,23H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:24,1,29,11,16,17,7,8,25,3,27,12,23,2,28,10,15,4,6,18,5,14,20,21,22,30,26,13,9,19/E:(2,3)(10,11)(14,15)(24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-LPMRCCNDNGONCD_on_O15399_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.270;  5.800,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_O60391_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.800;  7.270,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.270;  5.800,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_Q05586_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.270;  5.800,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_Q12879_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.800;  7.270,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_Q13224_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.270;  5.800,6.535,0.735,0.735,2.0,6.535,0.735
-LPMRCCNDNGONCD_on_Q14957_WT,Low,ChEMBL30,CHEMBL39664,O=C(O)C1CC(CP(=O)(O)O)CCN1,LPMRCCNDNGONCD,LPMRCCNDNGONCD-UHFFFAOYSA-N,"InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:12,13,5,7,6,4,2,14,1,3,9,10,11,8/E:(9,10)(11,12,13)/rA:14OCOCCCCPOOOCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s6;s12;s4s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  7.270;  5.800,6.535,0.735,0.735,2.0,6.535,0.735
-LPOZDKMXSPAATL_on_O00591_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_O14764_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P14867_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P18505_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P18507_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P28472_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P31644_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P34903_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P47869_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P47870_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P48169_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_P78334_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_Q16445_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPOZDKMXSPAATL_on_Q99928_WT,Low,ChEMBL30,CHEMBL52825,O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2,LPOZDKMXSPAATL,LPOZDKMXSPAATL-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,"""AuxInfo=1/0/N:8,7,9,6,10,17,18,14,3,5,15,13,2,12,4,16,1,11/E:(2,3)(4,5)/rA:18OCCCCCCCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-LPRNPGAWQUEBIP_on_Q14573_WT,Medium,ChEMBL30,CHEMBL46273,O=C(NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)Oc1ccc2c(c1)Oc1c(ccc(O)c1)C21OC(=O)c2ccccc21,LPRNPGAWQUEBIP,LPRNPGAWQUEBIP-UHFFFAOYSA-N,"InChI=1S/C30H32NO21P3/c32-14-6-8-18-20(12-14)48-21-13-15(7-9-19(21)30(18)17-5-2-1-4-16(17)28(36)49-30)47-29(37)31-10-3-11-46-55(44,45)52-25-22(33)23(34)26(50-53(38,39)40)27(24(25)35)51-54(41,42)43/h1-2,4-9,12-13,22-27,32-35H,3,10-11H2,(H,31,37)(H,44,45)(H2,38,39,40)(H2,41,42,43)","""AuxInfo=1/1/N:52,53,5,51,54,42,33,41,34,4,6,45,37,43,32,50,55,40,35,39,36,13,15,29,12,17,23,48,2,46,3,44,14,16,30,49,1,20,21,22,26,27,28,9,10,7,31,38,47,18,24,11,19,25,8/E:(38,39,40)(41,42,43)(44,45)/rA:55OCNCCCOPOOOCCOCOCOPOOOCOPOOOCOOCCCCCCOCCCCCOCCOCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s11;s12;s13;s13;s15;s15;s17;s18;d19;s19;s19;s17;s23;s24;d25;s25;s25;s12s23;s29;s2;s31;d32;s33;d34;s35;s32d36;s36;s38;d39;s40;d41;s42;s43;s39d43;s35s40;s46;s47;d48;s48;d50;s51;d52;s53;s46s50d54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL701348,PMID:10397504,1999.0,PMID:10397504,1999,0,0,1,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-LPSCBFOKMBVBFD_on_P41594_WT,High,ChEMBL30,CHEMBL3702462,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)ccc3,LPSCBFOKMBVBFD,LPSCBFOKMBVBFD-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,23,28,3,13,7,10,22,21,17,16,9,15,5,2,25,26,4,24,27,8,6,20,1/E:(4,5)(9,10)(26,27)/rA:31OCCNCNCNCCCCCCCCCCCNCCCNCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-LPSCBFOKMBVBFD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702462,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)ccc3,LPSCBFOKMBVBFD,LPSCBFOKMBVBFD-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-23-26-9-15(10-27-23)16-2-1-3-18-17(16)6-7-30-20(18)8-21(25-11-22(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,23,28,3,13,7,10,22,21,17,16,9,15,5,2,25,26,4,24,27,8,6,20,1/E:(4,5)(9,10)(26,27)/rA:31OCCNCNCNCCCCCCCCCCCNCCCNCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-LPWKFUVWWQYLOD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11515548;CHEMBL223869,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1,LPWKFUVWWQYLOD,LPWKFUVWWQYLOD-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,20,7,2,5,14,12,13,9,10,21,19,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCNCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  5.394;  5.390,5.392,0.002,0.002,2.0,5.392,0.002
-LPWKFUVWWQYLOD_on_Q13255_WT,High,ChEMBL30,CHEMBL223869,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1,LPWKFUVWWQYLOD,LPWKFUVWWQYLOD-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,20,7,2,5,14,12,13,9,10,21,19,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCNCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-LPYJYSOJNKNFSF_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094145,CCCCCCC1CN(c2c(N)cccc2)C(=O)O1,LPYJYSOJNKNFSF,LPYJYSOJNKNFSF-UHFFFAOYSA-N,"InChI=1S/C15H22N2O2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11,16H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,15,6,13,16,8,7,11,10,17,12,9,18,19/rA:19CCCCCCCCNCCNCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-LQCNJGKMVNOKBA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71579928;CHEMBL2349542,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2C)ccc1,LQCNJGKMVNOKBA,LQCNJGKMVNOKBA-UHFFFAOYSA-N,"InChI=1S/C19H17F3N4O/c1-11-5-4-6-15(23-11)24-18(27)16-12(2)17(26(3)25-16)13-7-9-14(10-8-13)19(20,21)22/h4-10H,1-3H3,(H,23,24,27)","""AuxInfo=1/1/N:1,24,11,26,27,25,14,22,15,21,2,23,13,16,4,8,12,6,17,18,19,20,3,5,9,10,7/E:(7,8)(9,10)(20,21,22)/rA:27CCNCNCOCNNCCCCCCCFFFCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;s8d12;s23;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-LQDSYQNNYIFHKU_on_P41594_WT,Medium,ChEMBL30,CHEMBL315663,CCCCc1c(CC(N)C(=O)O)onc1O,LQDSYQNNYIFHKU,LQDSYQNNYIFHKU-UHFFFAOYSA-N,"InChI=1S/C10H16N2O4/c1-2-3-4-6-8(16-12-9(6)13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,2,3,4,7,5,8,6,15,10,9,14,16,11,12,13/E:(14,15)/rA:16CCCCCCCCNCOOONCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;d10;s10;s6;s13;s5d14;s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.010,4.01,0.0,0.0,1.0,4.01,0.0
-LQDSYQNNYIFHKU_on_Q13255_WT,Low,ChEMBL30,CHEMBL315663,CCCCc1c(CC(N)C(=O)O)onc1O,LQDSYQNNYIFHKU,LQDSYQNNYIFHKU-UHFFFAOYSA-N,"InChI=1S/C10H16N2O4/c1-2-3-4-6-8(16-12-9(6)13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,2,3,4,7,5,8,6,15,10,9,14,16,11,12,13/E:(14,15)/rA:16CCCCCCCCNCOOONCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;d10;s10;s6;s13;s5d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.959,3.9589999999999996,0.0,0.0,1.0,3.9589999999999996,0.0
-LQHQZZAONQQOGL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,54587487;CHEMBL1779881,Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C1CCCCC1)CC2,LQHQZZAONQQOGL,LQHQZZAONQQOGL-UHFFFAOYSA-N,"InChI=1S/C23H24N2O/c1-17-7-5-6-8-18(17)11-12-19-13-14-21-22(24-19)15-16-25(23(21)26)20-9-3-2-4-10-20/h5-8,13-14,20H,2-4,9-10,15-16H2,1H3","""AuxInfo=1/0/N:1,22,21,23,4,5,3,6,20,24,8,9,15,14,26,25,2,7,10,19,13,12,16,11,18,17/E:(3,4)(9,10)/rA:26CCCCCCCCCCNCCCCCONCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s13;d16;s16;s18;s19;s20;s21;s22;s19s23;s18;s12s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598492;CHEMBL1780496,PMID:21531137,2011.0,PubChemAID:598492;PMID:21531137,2012;2011,0,0;1,0,0,1;0,,=,  6.332;  6.330,6.331,0.001,0.001,2.0,6.331,0.001
-LQROCYQCXGUXNA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182771;10236192,N#Cc1cccc(-c2nn(-c3ncccc3)cc2)c1,LQROCYQCXGUXNA,LQROCYQCXGUXNA-UHFFFAOYSA-N,InChI=1S/C15H10N4/c16-11-12-4-3-5-13(10-12)14-7-9-19(18-14)15-6-1-2-8-17-15/h1-10H,"""AuxInfo=1/0/N:15,14,5,4,6,16,18,13,17,19,2,3,7,8,11,1,12,9,10/rA:19NCCCCCCCNNCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257;PubChemAID:248415,PMID:15341479,2004.0,PMID:15341479;PubChemAID:248415,2004;2010,1;0,0,0,0,0;1,,=,  5.440;  5.444,5.442,0.002,0.002,2.0,5.442,0.002
-LQRUHPTVKTXHPR_on_O15399_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_O60391_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQRUHPTVKTXHPR_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192158,O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,LQRUHPTVKTXHPR,LQRUHPTVKTXHPR-UHFFFAOYSA-N,"InChI=1S/C21H22FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-LQTKARGCSZFLNO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104248,CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(=O)c2ccccc2)ccc1,LQTKARGCSZFLNO,LQTKARGCSZFLNO-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3S/c1-2-27(25,26)23(16-17-8-7-13-22-15-17)20-12-6-11-19(14-20)21(24)18-9-4-3-5-10-18/h3-15H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,26,12,13,20,24,25,27,11,15,9,7,8,19,16,14,17,10,6,18,4,5,3/E:(4,5)(9,10)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-LQXNPVCHVQPXOM_on_Q13255_WT,High,ChEMBL30,CHEMBL1951677,COc1ccnc2c1c1c(s2)c(=O)n(C2CCCCC2)cc1,LQXNPVCHVQPXOM,LQXNPVCHVQPXOM-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2S/c1-21-13-7-9-18-16-14(13)12-8-10-19(17(20)15(12)22-16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,22,5,21,15,9,3,8,10,7,12,6,14,13,2,11/E:(3,4)(5,6)/rA:22COCCCNCCCCSCONCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s7s10;s10;d12;s12;s14;s15;s16;s17;s18;s15s19;s14;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-LQXZYHXSQNDGAX_on_Q13255_WT,High,ChEMBL30,CHEMBL353547,O=C(CCc1ccccc1)c1ccc2nc3OCCCc3cc2c1,LQXZYHXSQNDGAX,LQXZYHXSQNDGAX-UHFFFAOYSA-N,"InChI=1S/C21H19NO2/c23-20(11-8-15-5-2-1-3-6-15)16-9-10-19-18(13-16)14-17-7-4-12-24-21(17)22-19/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2","""AuxInfo=1/0/N:8,7,9,19,6,10,20,4,12,13,3,18,24,22,5,11,21,23,14,2,16,15,1,17/E:(2,3)(5,6)/rA:24OCCCCCCCCCCCCCNCOCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;d15;s16;s17;s18;s19;s16s20;d21;s14s22;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-LRAROYWIRIHNSU_on_P31644_WT,High,ChEMBL30,CHEMBL3681420,Cc1c(COc2ccc(C3(O)COC3)cn2)c(-c2ccc(F)cc2)no1,LRAROYWIRIHNSU,LRAROYWIRIHNSU-UHFFFAOYSA-N,"InChI=1S/C19H17FN2O4/c1-12-16(18(22-26-12)13-2-5-15(20)6-3-13)9-25-17-7-4-14(8-21-17)19(23)10-24-11-19/h2-8,23H,9-11H2,1H3","""AuxInfo=1/0/N:1,19,24,8,20,23,7,15,4,12,14,2,18,9,21,3,6,17,10,22,16,25,11,13,5,26/E:(2,3)(5,6)(10,11)/rA:26CCCCOCCCCCOCOCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s12;s10s13;s9;s6d15;s3;s17;d18;s19;d20;s21;s21;s18d23;d17;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-LRCORPJIFQHXPW_on_O15399_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_O60391_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_Q05586_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_Q12879_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_Q13224_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRCORPJIFQHXPW_on_Q14957_WT,Low,ChEMBL30,CHEMBL81070,N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1,LRCORPJIFQHXPW,LRCORPJIFQHXPW-UHFFFAOYSA-N,"InChI=1S/C13H11Br2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:6,9,14,17,5,10,13,18,7,15,4,12,2,8,16,1,3,11/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCCCBrCCNCCCCBrCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-LRGZPMFVDLUUNW_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70683532;CHEMBL2023633,Cc1c(C)c(-c2cn(-c3ccccc3)nc2)ccn1,LRGZPMFVDLUUNW,LRGZPMFVDLUUNW-UHFFFAOYSA-N,"InChI=1S/C16H15N3/c1-12-13(2)17-9-8-16(12)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3","""AuxInfo=1/0/N:4,1,12,11,13,10,14,17,18,16,7,3,2,6,9,5,19,15,8/E:(4,5)(6,7)/rA:19CCCCCCCNCCCCCCNCCCN/rB:s1;d2;s3;s3;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s6d15;d5;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  5.921;  5.920,5.921,0.001,0.001,2.0,5.921,0.001
-LRHGGBPMPDFIJT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106864,COc1cc(-c2nc(-c3cc(C)nc(CO)c3)c3CCOC(CF)Cn23)ccc1OC(F)F,LRHGGBPMPDFIJT,LRHGGBPMPDFIJT-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O4/c1-13-7-15(8-16(12-30)27-13)21-18-5-6-32-17(10-24)11-29(18)22(28-21)14-3-4-19(33-23(25)26)20(9-14)31-2/h3-4,7-9,17,23,30H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:12,1,27,28,19,20,10,17,4,23,25,15,11,5,9,14,22,18,29,3,8,6,31,24,32,33,13,7,26,16,2,21,30/E:(25,26)/rA:33COCCCCNCCCCCNCCOCCCCOCCFCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s23;s22;s6s18s25;d5;s27;s3d28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-LRKGLCIMHZWMMK_on_P14867_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-LRKGLCIMHZWMMK_on_P18507_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.520;  6.370;  5.520,5.803,0.401,0.28300000000000003,3.0,5.52,0.0
-LRKGLCIMHZWMMK_on_P28472_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.370;  5.520;  5.520,5.803,0.401,0.28300000000000003,3.0,5.52,0.0
-LRKGLCIMHZWMMK_on_P31644_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LRKGLCIMHZWMMK_on_P34903_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-LRKGLCIMHZWMMK_on_P47869_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-LRKGLCIMHZWMMK_on_Q16445_WT,Low,ChEMBL30,CHEMBL431973,c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1,LRKGLCIMHZWMMK,LRKGLCIMHZWMMK-UHFFFAOYSA-N,"InChI=1S/C24H17N3O/c1-2-6-15(7-3-1)14-28-16-10-11-18-20(12-16)27-24-22-17-8-4-5-9-19(17)26-21(22)13-25-23(18)24/h1-13,26-27H,14H2","""AuxInfo=1/0/N:1,2,28,24,23,3,27,25,22,8,9,12,17,5,4,7,20,10,21,11,18,19,15,14,16,26,13,6/E:(2,3)(6,7)/rA:28CCCCCOCCCCCCNCCNCCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s11;s13;s10d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s18s21;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LRKIZSIATCYGSA_on_P14867_WT,Low,ChEMBL30,CHEMBL374955,Oc1noc(C2CCNCC2)c1-c1cscc1,LRKIZSIATCYGSA,LRKIZSIATCYGSA-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2S/c15-12-10(9-3-6-17-7-9)11(16-14-12)8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H,14,15)","""AuxInfo=1/1/N:7,11,17,8,10,16,14,6,13,12,5,2,9,3,1,4,15/E:(1,2)(4,5)/rA:17OCNOCCCCNCCCCCSCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.120;  7.120,7.12,0.0,0.0,2.0,7.12,0.0
-LRKIZSIATCYGSA_on_P18507_WT,Low,ChEMBL30,CHEMBL374955,Oc1noc(C2CCNCC2)c1-c1cscc1,LRKIZSIATCYGSA,LRKIZSIATCYGSA-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2S/c15-12-10(9-3-6-17-7-9)11(16-14-12)8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H,14,15)","""AuxInfo=1/1/N:7,11,17,8,10,16,14,6,13,12,5,2,9,3,1,4,15/E:(1,2)(4,5)/rA:17OCNOCCCCNCCCCCSCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.120;  7.120,7.12,0.0,0.0,2.0,7.12,0.0
-LRKIZSIATCYGSA_on_P28472_WT,Low,ChEMBL30,CHEMBL374955,Oc1noc(C2CCNCC2)c1-c1cscc1,LRKIZSIATCYGSA,LRKIZSIATCYGSA-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2S/c15-12-10(9-3-6-17-7-9)11(16-14-12)8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H,14,15)","""AuxInfo=1/1/N:7,11,17,8,10,16,14,6,13,12,5,2,9,3,1,4,15/E:(1,2)(4,5)/rA:17OCNOCCCCNCCCCCSCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.120;  7.120,7.12,0.0,0.0,2.0,7.12,0.0
-LRMHBIRJMXAPDF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3959609,Cc1cccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)n1,LRMHBIRJMXAPDF,LRMHBIRJMXAPDF-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-14-4-2-7-19(22-14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-6-3-5-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3","""AuxInfo=1/0/N:1,4,19,3,20,18,5,10,11,23,24,26,15,2,21,14,25,17,6,7,22,27,13,9,12,8,16/rA:27CCCCCCCONCCNNCCOCCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;s14;s12d24;s9s25;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-LRMVZGZYEIPIOK_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3975694,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1,LRMVZGZYEIPIOK,LRMVZGZYEIPIOK-UHFFFAOYSA-N,"InChI=1S/C17H10ClF4N3O3S2/c18-10-5-4-9(11(19)7-10)8-30(27,28)15-13(17(20,21)22)24-16(29-15)25-14(26)12-3-1-2-6-23-12/h1-7H,8H2,(H,24,25,26)","""AuxInfo=1/1/N:27,28,26,17,18,29,21,15,16,19,22,25,6,2,11,4,7,20,23,8,9,10,30,5,3,1,13,14,24,12/E:(20,21,22)(27,28)/CRV:30.6/rA:30OCNCNCCFFFCSOOCCCCCClCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;d18;s19;s19;s16d21;s22;s4s11;s2;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-LRNHEKNTYHWVMI_on_P41594_WT,High,ChEMBL30,CHEMBL3655605,N#Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)n2)ccc1,LRNHEKNTYHWVMI,LRNHEKNTYHWVMI-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2/c19-11-13-4-1-5-14(10-13)18(23)22-16-7-2-8-17(21-16)24-15-6-3-9-20-12-15/h1-10,12H,(H,21,22,23)","""AuxInfo=1/1/N:23,11,17,24,22,16,10,12,18,4,2,20,3,5,15,9,13,6,1,19,21,8,7,14/rA:24NCCCCCONCCCCCOCCCCNCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-LRRVNQIIXFMMNH_on_P41594_WT,High,ChEMBL30,CHEMBL3735905,Fc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1,LRRVNQIIXFMMNH,LRRVNQIIXFMMNH-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c20-14-8-5-12(6-9-14)19-21-18(23-26-19)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-11,15H,1-4H2","""AuxInfo=1/0/N:20,21,19,22,4,25,10,3,26,11,14,5,9,2,18,13,12,8,6,1,7,15,23,16,17,24/E:(1,2)(3,4)(5,6)(8,9)/rA:26FCCCCCNCCCCCCCNNNCCCCCNOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s13;d15;s12s16;s17;s18;s19;s20;s18s21;d8;s6s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-LRWHQEZUFRYCFE_on_P31644_WT,High,ChEMBL30,CHEMBL3676524,Cc1c(COc2ccc(C3(O)COC3)cn2)c(-c2ccccc2)no1,LRWHQEZUFRYCFE,LRWHQEZUFRYCFE-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-13-16(18(21-25-13)14-5-3-2-4-6-14)10-24-17-8-7-15(9-20-17)19(22)11-23-12-19/h2-9,22H,10-12H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,8,7,15,4,12,14,2,18,9,3,6,17,10,16,24,11,13,5,25/E:(3,4)(5,6)(11,12)/rA:25CCCCOCCCCCOCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s12;s10s13;s9;s6d15;s3;s17;d18;s19;d20;s21;s18d22;d17;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-LRXRNLQJXRYLBZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1080481,COc1ccccc1C(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2)ccc1,LRXRNLQJXRYLBZ,LRXRNLQJXRYLBZ-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,6,5,23,26,24,22,25,27,7,4,19,13,18,20,14,12,8,3,16,9,21,15,11,17,10,2/rA:27COCCCCCCCONCCCNCOCCCClCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;d12;s13;s14;s15;d16;s16;d18;s19;s20;d20;s22;s18d23;d14;s25;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1117585;CHEMBL1117586,PMID:19875287,2009.0,PMID:19875287,2009,0;1,0,0,1;0,0,,=,  6.520;  8.960,7.74,1.22,1.22,2.0,7.74,1.22
-LRYUALJXKCLBKM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453492;CHEMBL271276,Cc1cc(C#Cc2nc(C)cn3cccc23)ccc1,LRYUALJXKCLBKM,LRYUALJXKCLBKM-UHFFFAOYSA-N,"InChI=1S/C17H14N2/c1-13-5-3-6-15(11-13)8-9-16-17-7-4-10-19(17)12-14(2)18-16/h3-7,10-12H,1-2H3","""AuxInfo=1/0/N:1,10,18,14,19,17,15,5,6,13,3,11,2,9,4,7,16,8,12/rA:19CCCCCCCNCCCNCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s12;d13;s14;s7s12d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  9.400;  9.400,9.4,0.0,0.0,2.0,9.4,0.0
-LSDZJHMGHXEJKA_on_P31644_WT,High,ChEMBL30,CHEMBL3681454,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccncc2)no1,LSDZJHMGHXEJKA,LSDZJHMGHXEJKA-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-12(2)22-19(24)15-4-5-17(21-10-15)25-11-16-13(3)26-23-18(16)14-6-8-20-9-7-14/h4-10,12H,11H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,8,7,20,24,21,23,16,4,13,2,19,9,3,6,18,10,22,17,12,25,11,5,26/E:(1,2)(6,7)(8,9)/rA:26CCCCOCCCCCONCCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-LSEDZTKJZWQVKN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962402,CC1(C)CN(c2ccc(C#Cc3ccc(F)nc3)cn2)C(=O)O1,LSEDZTKJZWQVKN,LSEDZTKJZWQVKN-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O2/c1-17(2)11-21(16(22)23-17)15-8-6-13(10-20-15)4-3-12-5-7-14(18)19-9-12/h5-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,11,10,13,8,14,7,18,19,4,12,9,15,6,21,2,16,17,20,5,22,23/E:(1,2)/rA:23CCCCNCCCCCCCCCCFNCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-LSFHNIREHLCBIC_on_P41594_WT,High,ChEMBL30,CHEMBL1257505,N#Cc1cc(N2CCCc3c(C2)nc(-c2ccccn2)o3)cc(F)c1,LSFHNIREHLCBIC,LSFHNIREHLCBIC-UHFFFAOYSA-N,"InChI=1S/C19H15FN4O/c20-14-8-13(11-21)9-15(10-14)24-7-3-5-18-17(12-24)23-19(25-18)16-4-1-2-6-22-16/h1-2,4,6,8-10H,3,5,7,12H2","""AuxInfo=1/0/N:17,18,8,16,9,19,7,25,4,22,2,12,3,23,5,15,11,10,14,24,1,20,13,6,21/rA:25NCCCCNCCCCCCNCCCCCCNOCCFC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s6s11;s11;d13;s14;d15;s16;d17;s18;s15d19;s10s14;d5;s22;s23;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-LSGDZQUTOALPML_on_P41594_WT,High,ChEMBL30,CHEMBL257693,Cc1cn2cc(C(=O)N3CCCC3(C)C)cc2c(C#Cc2cscc2)n1,LSGDZQUTOALPML,LSGDZQUTOALPML-UHFFFAOYSA-N,"InChI=1S/C21H21N3OS/c1-15-12-23-13-17(20(25)24-9-4-8-21(24,2)3)11-19(23)18(22-15)6-5-16-7-10-26-14-16/h7,10-14H,4,8-9H2,1-3H3","""AuxInfo=1/0/N:1,14,15,11,20,19,25,12,10,24,16,3,5,22,2,21,6,18,17,7,13,26,4,9,8,23/E:(2,3)/rA:26CCCNCCCONCCCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s13;s13;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-LSHLIINFMYHQMQ_on_P14867_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-LSHLIINFMYHQMQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273617;CHEMBL1273620;CHEMBL1273618;CHEMBL1273619;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860;  6.900;  5.700;  5.700;  6.520;  7.600,6.547000000000001,0.679,0.304,6.0,6.69,0.56
-LSHLIINFMYHQMQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273615;CHEMBL1273619;CHEMBL1273617;CHEMBL1273618;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700;  7.600;  6.520;  6.900;  5.700;  6.860,6.547000000000001,0.679,0.304,6.0,6.69,0.56
-LSHLIINFMYHQMQ_on_P31644_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-LSHLIINFMYHQMQ_on_P34903_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-LSHLIINFMYHQMQ_on_P47869_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-LSHLIINFMYHQMQ_on_P48169_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-LSHLIINFMYHQMQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270538,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,LSHLIINFMYHQMQ,LSHLIINFMYHQMQ-UHFFFAOYSA-N,"InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2","""AuxInfo=1/0/N:21,20,22,19,23,24,25,16,27,11,4,18,17,15,26,14,9,12,2,5,6,7,8,10,13,1,3/E:(2,3)(4,5)(21,22,23)/rA:27OCOCCFFFCNCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s17;s14d24;s12s15;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-LSKVQEOEQWSFGM_on_P31644_WT,High,ChEMBL30,CHEMBL3681596,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccncn2)no1,LSKVQEOEQWSFGM,LSKVQEOEQWSFGM-UHFFFAOYSA-N,"InChI=1S/C19H19N5O3S/c1-13-15(18(23-27-13)16-4-5-20-12-22-16)11-26-17-3-2-14(10-21-17)19(25)24-6-8-28-9-7-24/h2-5,10,12H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,8,7,22,23,13,17,14,16,18,4,25,2,9,3,21,6,20,10,24,19,26,27,12,11,5,28,15/E:(6,7)(8,9)/rA:28CCCCOCCCCCONCCSCCCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-LSNZOABCOXDEPF_on_P41594_WT,Low,ChEMBL30,CHEMBL3655592,Cc1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1,LSNZOABCOXDEPF,LSNZOABCOXDEPF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4O2/c1-11-5-6-14(8-20-11)24-16-10-19-9-15(21-16)22-17(23)12-3-2-4-13(18)7-12/h2-10H,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,17,16,18,3,4,21,23,10,8,2,15,19,5,11,7,13,20,9,24,22,12,14,6/rA:24CCCCCOCCNCCNCOCCCCCClCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7d11;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LSTPKMWNRWCNLS_on_Q13255_WT,Medium,ChEMBL30,CHEMBL313938,NC1(C(=O)O)CCc2c1ccc(C(=O)O)c2,LSTPKMWNRWCNLS,LSTPKMWNRWCNLS-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:11,10,7,6,16,8,12,9,13,3,2,1,14,15,4,5/E:(13,14)(15,16)/rA:16NCCOOCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s2d8;s9;d10;s11;s12;d13;s13;s8d12;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL820023,PMID:7562903,1995.0,PMID:7562903,1995,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-LSVOXYMZIGSSNB_on_P14867_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-LSVOXYMZIGSSNB_on_P18507_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.960;  9.440;  8.550;  8.410,8.84,0.401,0.23199999999999998,4.0,8.755,0.275
-LSVOXYMZIGSSNB_on_P28472_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550;  9.440;  8.960;  8.410,8.84,0.401,0.23199999999999998,4.0,8.755,0.275
-LSVOXYMZIGSSNB_on_P31644_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-LSVOXYMZIGSSNB_on_P34903_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-LSVOXYMZIGSSNB_on_P47869_WT,Low,ChEMBL30,CHEMBL179414,CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,LSVOXYMZIGSSNB,LSVOXYMZIGSSNB-UHFFFAOYSA-N,"InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,17,21,5,29,31,28,32,7,10,30,27,16,9,4,25,26,15,24,12,8,22,23,13,14,3,11/E:(4,5)(7,8)(10,11)(12,13)/rA:32CCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-LSXSDBGWRLZZIR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL40123,NC(CC(CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O,LSXSDBGWRLZZIR,LSXSDBGWRLZZIR-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,5,3,7,13,4,6,2,19,22,1,20,21,23,24/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(21,22)(23,24)/rA:24NCCCCCCCCCCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s4;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717363;CHEMBL717366;CHEMBL718218,PMID:9871538,1998.0,PMID:10229625;PMID:9871538;PMID:10893301,1999;1998;2000,1;1;0,0,0,0;0;1,0,,=,  5.520;  4.750;  4.750,5.007,0.363,0.257,3.0,4.75,0.0
-LSXSDBGWRLZZIR_on_Q14832_WT,Medium,ChEMBL30,CHEMBL40123,NC(CC(CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O,LSXSDBGWRLZZIR,LSXSDBGWRLZZIR-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)","""AuxInfo=1/1/N:10,16,9,11,15,17,8,12,14,18,5,3,7,13,4,6,2,19,22,1,20,21,23,24/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(21,22)(23,24)/rA:24NCCCCCCCCCCCCCCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s13d17;s4;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717236;CHEMBL717238,PMID:9871538,1998.0,PMID:9871538;PMID:10893301,1998;2000,1;0,0,0,0;1,0,,=,  5.210;  5.210,5.21,0.0,0.0,2.0,5.21,0.0
-LTBIKYYCYMXUCS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,53248878;CHEMBL1779848,Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C)CC2,LTBIKYYCYMXUCS,LTBIKYYCYMXUCS-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-13-5-3-4-6-14(13)7-8-15-9-10-16-17(19-15)11-12-20(2)18(16)21/h3-6,9-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,19,4,5,3,6,8,9,15,14,21,20,2,7,10,13,12,16,11,18,17/rA:21CCCCCCCCCCNCCCCCONCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s13;d16;s16;s18;s18;s12s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780494,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137,2012;2011,0;1,0,0,0,1;0,,=,  6.110;  6.110,6.11,0.0,0.0,2.0,6.11,0.0
-LTEBSFSMLJAUDM_on_P18507_WT,Low,ChEMBL30,CHEMBL569057,Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21,LTEBSFSMLJAUDM,LTEBSFSMLJAUDM-UHFFFAOYSA-N,"InChI=1S/C12H7BrIN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,18,11,2,6,5,14,15,8,1,16,17,10,9,12,19/rA:19BrCCCCCCCNNCNCCCINCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-LTEBSFSMLJAUDM_on_P28472_WT,Low,ChEMBL30,CHEMBL569057,Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21,LTEBSFSMLJAUDM,LTEBSFSMLJAUDM-UHFFFAOYSA-N,"InChI=1S/C12H7BrIN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,18,11,2,6,5,14,15,8,1,16,17,10,9,12,19/rA:19BrCCCCCCCNNCNCCCINCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-LTEBSFSMLJAUDM_on_P31644_WT,Low,ChEMBL30,CHEMBL569057,Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21,LTEBSFSMLJAUDM,LTEBSFSMLJAUDM-UHFFFAOYSA-N,"InChI=1S/C12H7BrIN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,18,11,2,6,5,14,15,8,1,16,17,10,9,12,19/rA:19BrCCCCCCCNNCNCCCINCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-LTIQJQOJEAIYPU_on_P14867_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-LTIQJQOJEAIYPU_on_P18507_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.700;  6.570;  6.320;  7.360,6.7379999999999995,0.384,0.222,4.0,6.635,0.19
-LTIQJQOJEAIYPU_on_P28472_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.570;  7.360;  6.320;  6.700,6.737,0.384,0.222,4.0,6.635,0.19
-LTIQJQOJEAIYPU_on_P31644_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-LTIQJQOJEAIYPU_on_P34903_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-LTIQJQOJEAIYPU_on_P47869_WT,Low,ChEMBL30,CHEMBL179810,c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1,LTIQJQOJEAIYPU,LTIQJQOJEAIYPU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-15-13-19-8-4-5-14-25-19/h1-8,14,16-17H,9-13,15H2","""AuxInfo=1/0/N:1,2,30,19,18,3,29,20,25,27,24,28,14,17,13,26,23,4,15,9,10,5,8,11,16,6,7,21,22,12/E:(2,3)(6,7)(9,10)(11,12)/rA:30CCCCCNNCCCCOCCCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d11;s5s8s21;s10;s23;s24;s9s25;s26;s23s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-LTIQSZCATDAGAW_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289732,Oc1ccc2c(c1)CCN(C1CCC3(CC1)OCCO3)CC2O,LTIQSZCATDAGAW,LTIQSZCATDAGAW-UHFFFAOYSA-N,"InChI=1S/C18H25NO4/c20-15-1-2-16-13(11-15)5-8-19(12-17(16)21)14-3-6-18(7-4-14)22-9-10-23-18/h1-2,11,14,17,20-21H,3-10,12H2","""AuxInfo=1/0/N:3,4,12,16,8,13,15,9,18,19,7,21,6,11,2,5,22,14,10,1,23,17,20/E:(3,4)(6,7)(9,10)(22,23)/rA:23OCCCCCCCCNCCCCCCOCCOCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s14s19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LTIQSZCATDAGAW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289732,Oc1ccc2c(c1)CCN(C1CCC3(CC1)OCCO3)CC2O,LTIQSZCATDAGAW,LTIQSZCATDAGAW-UHFFFAOYSA-N,"InChI=1S/C18H25NO4/c20-15-1-2-16-13(11-15)5-8-19(12-17(16)21)14-3-6-18(7-4-14)22-9-10-23-18/h1-2,11,14,17,20-21H,3-10,12H2","""AuxInfo=1/0/N:3,4,12,16,8,13,15,9,18,19,7,21,6,11,2,5,22,14,10,1,23,17,20/E:(3,4)(6,7)(9,10)(22,23)/rA:23OCCCCCCCCNCCCCCCOCCOCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s14s19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LTNANPWTFHLSJB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112583,NC(CCc1cccc2ccccc12)(C(=O)O)C1CC1C(=O)O,LTNANPWTFHLSJB,LTNANPWTFHLSJB-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c19-18(17(22)23,15-10-14(15)16(20)21)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-15H,8-10,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:11,12,7,10,8,6,13,4,3,19,9,5,14,20,18,21,15,2,1,22,23,16,17/E:(20,21)(22,23)/rA:23NCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s5s9d13;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-LTNANPWTFHLSJB_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112583,NC(CCc1cccc2ccccc12)(C(=O)O)C1CC1C(=O)O,LTNANPWTFHLSJB,LTNANPWTFHLSJB-UHFFFAOYSA-N,"InChI=1S/C18H19NO4/c19-18(17(22)23,15-10-14(15)16(20)21)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-15H,8-10,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:11,12,7,10,8,6,13,4,3,19,9,5,14,20,18,21,15,2,1,22,23,16,17/E:(20,21)(22,23)/rA:23NCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s5s9d13;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-LTOOSUBYNLLHOM_on_P41594_WT,Low,ChEMBL30,CHEMBL1784069,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,LTOOSUBYNLLHOM,LTOOSUBYNLLHOM-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2S/c1-3-8-19-16-13-14-15(26-17(13)21-9-20-16)18(24)23(10-22-14)11-4-6-12(25-2)7-5-11/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,3,9,15,17,20,6,13,12,5,7,25,4,10,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCNSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-LTOOSUBYNLLHOM_on_Q13255_WT,High,ChEMBL30,CHEMBL1784069,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,LTOOSUBYNLLHOM,LTOOSUBYNLLHOM-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2S/c1-3-8-19-16-13-14-15(26-17(13)21-9-20-16)18(24)23(10-22-14)11-4-6-12(25-2)7-5-11/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,3,9,15,17,20,6,13,12,5,7,25,4,10,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCNSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-LTQDWLBJRNEBCU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952509,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1,LTQDWLBJRNEBCU,LTQDWLBJRNEBCU-UHFFFAOYSA-N,"InChI=1S/C24H19FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H2,26,31)","""AuxInfo=1/1/N:16,25,26,8,13,9,12,15,29,5,27,18,20,17,7,24,21,10,14,6,30,4,22,2,11,1,28,31,19,23,3/E:(2,3)(4,5)(6,7)/rA:31NCOCCCCCCCFCCCCCCCNCCCOCCCCNCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s22;s24;s24s25;s21;s19d27;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-LTQGXNXEICIQPN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3932843,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCC21,LTQGXNXEICIQPN,LTQGXNXEICIQPN-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c1-22-17-8-5-9-18(17)23(20(22)24)19-13-12-16(14-21-19)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17-18H,5,8-9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,13,17,23,21,11,10,8,7,18,12,9,24,20,6,3,19,2,5,4/E:(3,4)(6,7)/rA:24CNCONCCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s2s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-LTRWRIPIPVFKAH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713173;CHEMBL2403697,CC1CCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)CC1,LTRWRIPIPVFKAH,LTRWRIPIPVFKAH-UHFFFAOYSA-N,"InChI=1S/C22H24N2OS/c1-16-7-10-18(11-8-16)22(25)24-14-13-19-20(15-24)26-21(23-19)12-9-17-5-3-2-4-6-17/h2-6,16,18H,7-8,10-11,13-15H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,3,26,17,4,25,16,10,9,13,2,18,5,11,12,15,6,24,8,7,14/E:(3,4)(5,6)(7,8)(10,11)/rA:26CCCCCCONCCCCCSCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;s5;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  6.721;  6.720,6.72,0.0,0.0,2.0,6.72,0.001
-LTRYPGNCHZSXSI_on_P14867_WT,Low,ChEMBL30,CHEMBL487686,CCCCC(=O)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LTRYPGNCHZSXSI,LTRYPGNCHZSXSI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,21,4,13,12,19,15,22,17,24,14,16,10,7,11,5,8,18,23,6,9/rA:24CCCCCOCCOCCCCCCCCNCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-LTRYPGNCHZSXSI_on_P18507_WT,Low,ChEMBL30,CHEMBL487686,CCCCC(=O)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LTRYPGNCHZSXSI,LTRYPGNCHZSXSI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,21,4,13,12,19,15,22,17,24,14,16,10,7,11,5,8,18,23,6,9/rA:24CCCCCOCCOCCCCCCCCNCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-LTRYPGNCHZSXSI_on_P47870_WT,Low,ChEMBL30,CHEMBL487686,CCCCC(=O)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1,LTRYPGNCHZSXSI,LTRYPGNCHZSXSI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,20,21,4,13,12,19,15,22,17,24,14,16,10,7,11,5,8,18,23,6,9/rA:24CCCCCOCCOCCCCCCCCNCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-LTSAESFXDBXRGS_on_P14867_WT,Low,ChEMBL30,CHEMBL441872,Oc1noc(C2CCNCC2)c1-c1cccnc1,LTSAESFXDBXRGS,LTSAESFXDBXRGS-UHFFFAOYSA-N,"InChI=1S/C13H15N3O2/c17-13-11(10-2-1-5-15-8-10)12(18-16-13)9-3-6-14-7-4-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,16,17)","""AuxInfo=1/1/N:15,14,7,11,16,8,10,18,6,13,12,5,2,9,17,3,1,4/E:(3,4)(6,7)/rA:18OCNOCCCCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.320;  6.370,6.345,0.025,0.025,2.0,6.345,0.025
-LTSAESFXDBXRGS_on_P18507_WT,Low,ChEMBL30,CHEMBL441872,Oc1noc(C2CCNCC2)c1-c1cccnc1,LTSAESFXDBXRGS,LTSAESFXDBXRGS-UHFFFAOYSA-N,"InChI=1S/C13H15N3O2/c17-13-11(10-2-1-5-15-8-10)12(18-16-13)9-3-6-14-7-4-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,16,17)","""AuxInfo=1/1/N:15,14,7,11,16,8,10,18,6,13,12,5,2,9,17,3,1,4/E:(3,4)(6,7)/rA:18OCNOCCCCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.370;  6.320,6.345,0.025,0.025,2.0,6.345,0.025
-LTSAESFXDBXRGS_on_P28472_WT,Low,ChEMBL30,CHEMBL441872,Oc1noc(C2CCNCC2)c1-c1cccnc1,LTSAESFXDBXRGS,LTSAESFXDBXRGS-UHFFFAOYSA-N,"InChI=1S/C13H15N3O2/c17-13-11(10-2-1-5-15-8-10)12(18-16-13)9-3-6-14-7-4-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,16,17)","""AuxInfo=1/1/N:15,14,7,11,16,8,10,18,6,13,12,5,2,9,17,3,1,4/E:(3,4)(6,7)/rA:18OCNOCCCCNCCCCCCCNC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.320;  6.370,6.345,0.025,0.025,2.0,6.345,0.025
-LTXVFBURTKNLCW_on_P41594_WT,Low,ChEMBL30,CHEMBL2208407,O=S(=O)(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,LTXVFBURTKNLCW,LTXVFBURTKNLCW-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O3S/c20-15-5-3-13(4-6-15)18-22-19(27-23-18)14-2-1-11-24(12-14)28(25,26)17-9-7-16(21)8-10-17/h3-10,14H,1-2,11-12H2","""AuxInfo=1/0/N:13,14,20,25,21,24,6,9,5,10,12,28,19,15,22,7,4,18,16,23,8,17,26,11,1,3,27,2/E:(3,4)(5,6)(7,8)(9,10)(25,26)/CRV:28.6/rA:28OSOCCCCFCCNCCCCCNCCCCCFCCNOC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s22;s19d24;d18;s16s26;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2215796,PMID:23142615,2012.0,PMID:23142615,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LTYUPBZLKIUGQX_on_P14867_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-LTYUPBZLKIUGQX_on_P18507_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273615;CHEMBL1273618;CHEMBL1273619;CHEMBL1273616;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.470;  8.320;  6.000;  6.540;  7.510;  6.000,6.973,0.8590000000000001,0.384,6.0,7.005,0.755
-LTYUPBZLKIUGQX_on_P28472_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273617;CHEMBL1273615;CHEMBL1273618;CHEMBL1273620;CHEMBL1273619;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.470;  8.320;  6.000;  6.000;  6.540;  7.510,6.973,0.8590000000000001,0.384,6.0,7.005,0.755
-LTYUPBZLKIUGQX_on_P31644_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-LTYUPBZLKIUGQX_on_P34903_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-LTYUPBZLKIUGQX_on_P47869_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-LTYUPBZLKIUGQX_on_P48169_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LTYUPBZLKIUGQX_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269786,CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1,LTYUPBZLKIUGQX,LTYUPBZLKIUGQX-UHFFFAOYSA-N,"InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,19,15,7,10,16,14,8,13,6,9,4,17,11,12,5,3/rA:19CCOCOCCCCCNNCCCCICC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s9;s12;s8d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LTYZNZOXSOBCID_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3982008,Fc1ccc(Nc2c3ncsc3n[nH]2)cc1Cl,LTYZNZOXSOBCID,LTYZNZOXSOBCID-UHFFFAOYSA-N,"InChI=1S/C10H6ClFN4S/c11-6-3-5(1-2-7(6)12)14-9-8-10(16-15-9)17-4-13-8/h1-4H,(H2,14,15,16)","""AuxInfo=1/1/N:4,3,15,10,5,16,2,8,7,12,17,1,9,6,14,13,11/rA:17FCCCCNCCNCSCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s8s11;d12;s7s13;s5;s2d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-LUCQIBWPMZFNLN_on_Q14833_WT,High,ChEMBL30,CHEMBL4098112,CN1CCN(CCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1,LUCQIBWPMZFNLN,LUCQIBWPMZFNLN-UHFFFAOYSA-N,"InChI=1S/C23H25N5O3/c1-26-7-9-27(10-8-26)11-12-30-18-4-5-22-19(14-18)20(25-29)15-23(31-22)21-13-17-3-2-6-28(17)16-24-21/h2-6,13-16,29H,7-12H2,1H3","""AuxInfo=1/0/N:1,19,18,10,11,20,3,31,4,30,6,7,16,29,24,22,17,9,28,25,15,12,14,23,26,2,5,21,27,8,13/E:(7,8)(9,10)/rA:31CNCCNCCOCCCCOCCCCCCCNCNCCNOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;s21;s15d22;d14;s24;w?25;s26;s12s25;s9d28;s5;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-LUDFRQWRRMTFEQ_on_P31644_WT,High,ChEMBL30,CHEMBL3676531,Cc1c(COc2ccc(C(=O)N3CC4(COC4)C3)cn2)c(-c2ccccc2)no1,LUDFRQWRRMTFEQ,LUDFRQWRRMTFEQ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O4/c1-15-18(20(24-29-15)16-5-3-2-4-6-16)10-28-19-8-7-17(9-23-19)21(26)25-11-22(12-25)13-27-14-22/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,25,24,26,23,27,8,7,19,4,13,18,15,17,2,22,9,3,6,21,10,14,20,28,12,11,16,5,29/E:(3,4)(5,6)(11,12)(13,14)/rA:29CCCCOCCCCCONCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s14s16;s12s14;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-LUDMNXOOXWWZDU_on_P14867_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-LUDMNXOOXWWZDU_on_P18507_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058331;CHEMBL3058328;CHEMBL3058329;CHEMBL3058330;CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.890;  7.890;  6.940;  7.230;  7.550,7.3,0.37799999999999995,0.18899999999999997,5.0,7.23,0.32
-LUDMNXOOXWWZDU_on_P28472_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058330;CHEMBL3058328;CHEMBL3058332;CHEMBL3058331;CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.230;  7.890;  7.550;  6.890;  6.940,7.3,0.37799999999999995,0.18899999999999997,5.0,7.23,0.32
-LUDMNXOOXWWZDU_on_P31644_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-LUDMNXOOXWWZDU_on_P34903_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-LUDMNXOOXWWZDU_on_P47869_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-LUDMNXOOXWWZDU_on_P48169_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-LUDMNXOOXWWZDU_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261916,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1,LUDMNXOOXWWZDU,LUDMNXOOXWWZDU-UHFFFAOYSA-N,"InChI=1S/C25H25N3O3/c1-25(2,3)31-24(30)21-22-20-10-7-13-27(20)23(29)18-14-17(16-8-5-4-6-9-16)11-12-19(18)28(22)15-26-21/h4-6,8-9,11-12,14-15,20H,7,10,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,25,24,26,12,23,27,11,20,19,13,28,30,22,21,17,18,10,8,9,15,6,2,31,14,29,16,7,5/E:(1,2,3)(5,6)(8,9)/rA:31CCCCOCOCCCCCCNCOCCCCCCCCCCCCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;s9s18;s29;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-LUFGLBRBPWCPQS_on_P41594_WT,High,ChEMBL30,CHEMBL208730,Cc1cc(Sc2ccnc(-c3ccccn3)n2)ccc1,LUFGLBRBPWCPQS,LUFGLBRBPWCPQS-UHFFFAOYSA-N,"InChI=1S/C16H13N3S/c1-12-5-4-6-13(11-12)20-15-8-10-18-16(19-15)14-7-2-3-9-17-14/h2-11H,1H3","""AuxInfo=1/0/N:1,13,14,19,20,18,12,7,15,8,3,2,4,11,6,10,16,9,17,5/rA:20CCCCSCCCNCCCCCCNNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s6d10;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-LUKQGXBAYDUKKH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111258,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1Cl,LUKQGXBAYDUKKH,LUKQGXBAYDUKKH-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O2/c1-13-8-16(9-14(2)25-13)21-19-6-7-29-17(11-24)12-27(19)22(26-21)15-4-5-18(23)20(10-15)28-3/h4-5,8-10,17H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,15,1,26,27,18,19,10,16,4,22,24,11,14,5,9,21,28,17,3,8,6,29,23,13,7,25,2,20/E:(1,2)(8,9)(13,14)/rA:29COCCCCNCCCCCNCCCCCCOCCFCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-LUKRWTWMHQMEIS_on_O15399_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_O60391_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_Q05586_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_Q12879_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_Q13224_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LUKRWTWMHQMEIS_on_Q14957_WT,Low,ChEMBL30,CHEMBL68831,Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1,LUKRWTWMHQMEIS,LUKRWTWMHQMEIS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,11,22,14,6,9,15,5,13,2,7,10,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-LULCFBGABRHYJW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983614,CC(C)c1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,LULCFBGABRHYJW,LULCFBGABRHYJW-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O/c1-14(2)23-26-9-10-28(23)13-15-3-8-18-19(16-4-6-17(24)7-5-16)12-21(22(25)29)27-20(18)11-15/h3-12,14H,13H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:1,3,11,16,21,17,20,12,6,7,29,22,9,2,10,15,18,13,14,28,23,24,4,19,25,5,27,8,26/E:(1,2)(4,5)(6,7)/rA:29CCCCNCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-LULDKPZVRYFHMS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3939186,O=C(c1cccc(F)c1)N1CCn2nc(COc3ccc(F)cc3)cc2C1,LULDKPZVRYFHMS,LULDKPZVRYFHMS-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-4-6-19(7-5-15)27-13-17-11-18-12-24(8-9-25(18)23-17)20(26)14-2-1-3-16(22)10-14/h1-7,10-11H,8-9,12-13H2","""AuxInfo=1/0/N:5,4,6,20,23,19,24,11,12,9,25,27,16,3,21,7,15,26,18,2,22,8,14,10,13,1,17/E:(4,5)(6,7)/rA:27OCCCCCCFCNCCNNCCOCCCCFCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-LULPFCFGFHHBEZ_on_P18507_WT,Low,ChEMBL30,CHEMBL571465,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,LULPFCFGFHHBEZ,LULPFCFGFHHBEZ-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,2,20,21,17,16,22,8,11,24,19,18,14,15,7,6,13,4,12,25,10,23,9,5,3/E:(3,4)/rA:25CCOCOCCCNNCNCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s19s20;s14d18;s7s15;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-LULPFCFGFHHBEZ_on_P28472_WT,Low,ChEMBL30,CHEMBL571465,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,LULPFCFGFHHBEZ,LULPFCFGFHHBEZ-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,2,20,21,17,16,22,8,11,24,19,18,14,15,7,6,13,4,12,25,10,23,9,5,3/E:(3,4)/rA:25CCOCOCCCNNCNCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s19s20;s14d18;s7s15;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-LULPFCFGFHHBEZ_on_P31644_WT,Low,ChEMBL30,CHEMBL571465,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1,LULPFCFGFHHBEZ,LULPFCFGFHHBEZ-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,2,20,21,17,16,22,8,11,24,19,18,14,15,7,6,13,4,12,25,10,23,9,5,3/E:(3,4)/rA:25CCOCOCCCNNCNCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s19s20;s14d18;s7s15;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-LUOMULXJQRIOLG_on_P41594_WT,High,ChEMBL30,CHEMBL204115,CN1C(=O)CN=C1NC(=O)Nc1cccc(Cl)c1,LUOMULXJQRIOLG,LUOMULXJQRIOLG-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-9(17)6-13-10(16)15-11(18)14-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,18)","""AuxInfo=1/1/N:1,14,15,13,18,5,16,12,3,7,9,17,6,11,8,2,4,10/rA:18CNCOCNCNCONCCCCCClC/rB:s1;s2;d3;s3;s5;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3996882,PMID:16380255,2006.0,PMID:28109949,2017,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-LUTAUMDETUZKCG_on_P41594_WT,High,ChEMBL30,CHEMBL3314807,O=C(Nc1cc(Oc2cccnc2)ncn1)c1cc(Cl)ccc1,LUTAUMDETUZKCG,LUTAUMDETUZKCG-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(7-12)16(22)21-14-8-15(20-10-19-14)23-13-5-2-6-18-9-13/h1-10H,(H,19,20,21,22)","""AuxInfo=1/1/N:22,10,23,21,9,11,18,5,13,15,17,19,8,4,6,2,20,12,16,14,3,1,7/rA:23OCNCCCOCCCCNCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d6;s14;s4d15;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-LUXPMPQGEXSHIM_on_P41594_WT,High,ChEMBL30,CHEMBL3702390,N#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1,LUXPMPQGEXSHIM,LUXPMPQGEXSHIM-UHFFFAOYSA-N,"InChI=1S/C18H13N3OS/c19-10-12-3-1-4-14-13(12)6-7-21-16(14)9-15(20-11-18(21)22)17-5-2-8-23-17/h1-5,8-9H,6-7,11H2","""AuxInfo=1/0/N:22,15,23,21,14,5,6,16,18,2,10,3,4,20,12,19,13,8,1,11,7,9,17/rA:23NCCCCCNCOCNCCCCCSCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s14;d15;s13s16;s12;s7w?18;s4s19;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-LUXPMPQGEXSHIM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702390,N#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1,LUXPMPQGEXSHIM,LUXPMPQGEXSHIM-UHFFFAOYSA-N,"InChI=1S/C18H13N3OS/c19-10-12-3-1-4-14-13(12)6-7-21-16(14)9-15(20-11-18(21)22)17-5-2-8-23-17/h1-5,8-9H,6-7,11H2","""AuxInfo=1/0/N:22,15,23,21,14,5,6,16,18,2,10,3,4,20,12,19,13,8,1,11,7,9,17/rA:23NCCCCCNCOCNCCCCCSCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s14;d15;s13s16;s12;s7w?18;s4s19;d20;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-LVCCXJOSNNQODU_on_Q05586_WT,Low,ChEMBL30,CHEMBL63200,Oc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,LVCCXJOSNNQODU,LVCCXJOSNNQODU-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c23-15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13,23H,12H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,12,23,7,13,22,6,10,3,11,2,16,14,5,4,9,8,24,1,15/E:(2,3)(4,5)(6,7)(9,10)/rA:24OCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  8.040;  8.490,8.265,0.225,0.225,2.0,8.265,0.225
-LVCCXJOSNNQODU_on_Q13224_WT,Low,ChEMBL30,CHEMBL63200,Oc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,LVCCXJOSNNQODU,LVCCXJOSNNQODU-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c23-15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13,23H,12H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,12,23,7,13,22,6,10,3,11,2,16,14,5,4,9,8,24,1,15/E:(2,3)(4,5)(6,7)(9,10)/rA:24OCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  8.040;  8.490,8.265,0.225,0.225,2.0,8.265,0.225
-LVFFDIKQDLNPRW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713172;CHEMBL2401758,O=C(C1CCC(F)(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,LVFFDIKQDLNPRW,LVFFDIKQDLNPRW-UHFFFAOYSA-N,"InChI=1S/C21H20F2N2OS/c22-21(23)11-8-16(9-12-21)20(26)25-13-10-17-18(14-25)27-19(24-17)7-6-15-4-2-1-3-5-15/h1-5,16H,8-14H2","""AuxInfo=1/0/N:24,23,25,22,26,20,19,4,10,13,5,9,12,16,21,3,14,15,18,2,6,7,8,27,11,1,17/E:(2,3)(4,5)(8,9)(11,12)(22,23)/rA:27OCCCCCFFCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s6;s6;s3s9;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;t19;s20;d21;s22;d23;s24;s21d25;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  7.155;  7.160,7.1579999999999995,0.002,0.002,2.0,7.1579999999999995,0.002
-LVGMACGTUOCXJL_on_O00591_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_O14764_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P14867_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P18505_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P18507_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P28472_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P31644_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P34903_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P47869_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P47870_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P48169_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_P78334_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_Q16445_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVGMACGTUOCXJL_on_Q99928_WT,Low,ChEMBL30,CHEMBL310589,CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2,LVGMACGTUOCXJL,LVGMACGTUOCXJL-UHFFFAOYSA-N,"InChI=1S/C23H22N4/c1-26-9-2-3-19(26)12-18-15-25-22-6-5-20(13-21(18)22)27-10-8-17-11-16(14-24)4-7-23(17)27/h4-8,10-11,13,15,19,25H,2-3,9,12H2,1H3","""AuxInfo=1/0/N:1,4,5,23,26,27,24,17,3,16,19,7,13,21,9,20,18,8,6,14,12,11,25,22,10,2,15/rA:27CNCCCCCCCNCCCCNCCCCCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;t21;d20;s23;s15s18d24;s14;s11d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-LVIJSLOTSSAFKU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113523,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4(C)COC4)c3)n2)cc(C)n1,LVIJSLOTSSAFKU,LVIJSLOTSSAFKU-UHFFFAOYSA-N,"InChI=1S/C26H30FN3O3/c1-16-9-20(10-17(2)28-16)24-22-7-8-32-18(3)12-30(22)25(29-24)19-5-6-21(27)23(11-19)33-15-26(4)13-31-14-26/h5-6,9-11,18H,7-8,12-15H2,1-4H3","""AuxInfo=1/0/N:1,32,11,24,16,17,7,8,3,30,28,12,25,27,22,2,31,10,15,4,18,6,20,5,14,23,19,33,29,13,26,9,21/E:(1,2)(9,10)(13,14)(16,17)/rA:33CCCCCCCCOCCCNCCCCCFCOCCCCOCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s23;s25;s23s26;s15d20;s5d14;d4;s30;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-LVJXDIPOLXCUPP_on_P18507_WT,Low,ChEMBL30,CHEMBL379973,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F,LVJXDIPOLXCUPP,LVJXDIPOLXCUPP-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,29,14,17,28,30,22,7,4,13,18,26,31,23,6,25,24,12,9,19,27,32,5,21,3,20,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.260,9.26,0.0,0.0,1.0,9.26,0.0
-LVJXDIPOLXCUPP_on_P28472_WT,Low,ChEMBL30,CHEMBL379973,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F,LVJXDIPOLXCUPP,LVJXDIPOLXCUPP-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,29,14,17,28,30,22,7,4,13,18,26,31,23,6,25,24,12,9,19,27,32,5,21,3,20,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.260,9.26,0.0,0.0,1.0,9.26,0.0
-LVJXDIPOLXCUPP_on_P34903_WT,Low,ChEMBL30,CHEMBL379973,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F,LVJXDIPOLXCUPP,LVJXDIPOLXCUPP-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,29,14,17,28,30,22,7,4,13,18,26,31,23,6,25,24,12,9,19,27,32,5,21,3,20,10,2,11,8/E:(7,8)(14,15)(23,24)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.260,9.26,0.0,0.0,1.0,9.26,0.0
-LVJZZIOJQWCCQZ_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779845;CHEMBL1779845;54587482,O=C(NC1CCCC1)c1ccc(C#Cc2ncccc2)nc1,LVJZZIOJQWCCQZ,LVJZZIOJQWCCQZ-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c22-18(21-17-6-1-2-7-17)14-8-9-16(20-13-14)11-10-15-5-3-4-12-19-15/h3-5,8-9,12-13,17H,1-2,6-7H2,(H,21,22)","""AuxInfo=1/1/N:6,7,19,18,20,5,8,10,11,14,13,17,22,9,15,12,4,2,16,21,3,1/E:(1,2)(6,7)/rA:22OCNCCCCCCCCCCCCNCCCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s2;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494;PubChemAID:598490,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598490,2011;2011;2012,0;1;0,0,0,1;0;0,0;0;1,,=,  5.120;  6.640;  6.644,6.135,0.7170000000000001,0.507,3.0,6.64,0.004
-LVNUFYJVKSJAJM_on_P41594_WT,Low,ChEMBL30,CHEMBL223868,CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCCC2)c1=O,LVNUFYJVKSJAJM,LVNUFYJVKSJAJM-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,9,8,16,14,17,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(4,5)(6,7)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s17s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LVNUFYJVKSJAJM_on_Q13255_WT,High,ChEMBL30,CHEMBL223868,CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCCC2)c1=O,LVNUFYJVKSJAJM,LVNUFYJVKSJAJM-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,9,8,16,14,17,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(4,5)(6,7)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s17s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-LVOQHEIDNJQOJB_on_P31644_WT,High,ChEMBL30,CHEMBL3676444,Cc1c(COc2cc(C3=CCN(C)CC3)ccn2)c(-c2ccccc2)no1,LVOQHEIDNJQOJB,LVOQHEIDNJQOJB-UHFFFAOYSA-N,"InChI=1S/C22H23N3O2/c1-16-20(22(24-27-16)18-6-4-3-5-7-18)15-26-21-14-19(8-11-23-21)17-9-12-25(2)13-10-17/h3-9,11,14H,10,12-13,15H2,1-2H3","""AuxInfo=1/0/N:1,13,23,22,24,21,25,16,10,15,17,11,14,7,4,2,9,20,8,3,6,19,18,26,12,5,27/E:(4,5)(6,7)/rA:27CCCCOCCCCCCNCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;w?9;s10;s11;s12;s12;s9s14;d8;s16;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.490,7.49,0.0,0.0,1.0,7.49,0.0
-LVPHLJOFDQXTPL_on_P41594_WT,High,ChEMBL30,CHEMBL2069374,Cc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1,LVPHLJOFDQXTPL,LVPHLJOFDQXTPL-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,19,15,20,3,10,21,2,4,9,17,14,11,5,8,18,22,6,13,12,7/E:(5,6)(7,8)/rA:25CCCCCNOCCCCONCCCCClCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9s13;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-LVVFEOXPNGNNIJ_on_Q13255_WT,High,ChEMBL30,CHEMBL2397366,CC1CN(c2ccccn2)CCN1C(=O)C1CC2CCCC(C2)C1,LVVFEOXPNGNNIJ,LVVFEOXPNGNNIJ-UHFFFAOYSA-N,"InChI=1S/C20H29N3O/c1-15-14-22(19-7-2-3-8-21-19)9-10-23(15)20(24)18-12-16-5-4-6-17(11-16)13-18/h2-3,7-8,15-18H,4-6,9-14H2,1H3","""AuxInfo=1/0/N:1,7,8,20,19,21,6,9,11,12,23,17,24,3,2,18,22,16,5,14,10,4,13,15/E:(5,6)(12,13)(16,17)/rA:24CCCNCCCCCNCCNCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.780;  6.780,6.78,0.0,0.0,2.0,6.78,0.0
-LVXAMCKZCLWWTF_on_O00222_WT,Low,ChEMBL30,CHEMBL1672288,N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1,LVXAMCKZCLWWTF,LVXAMCKZCLWWTF-UHFFFAOYSA-N,"InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H","""AuxInfo=1/0/N:6,7,4,14,17,2,9,5,3,15,8,11,16,12,1,13,10/rA:17NCCCCCCCCSCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1679220,PMID:21207959,2011.0,PMID:21207959,2011,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LVXAMCKZCLWWTF_on_O15303_WT,Low,ChEMBL30,CHEMBL1672288,N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1,LVXAMCKZCLWWTF,LVXAMCKZCLWWTF-UHFFFAOYSA-N,"InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H","""AuxInfo=1/0/N:6,7,4,14,17,2,9,5,3,15,8,11,16,12,1,13,10/rA:17NCCCCCCCCSCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1679219,PMID:21207959,2011.0,PMID:21207959,2011,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LVXAMCKZCLWWTF_on_Q13255_WT,Low,ChEMBL30,CHEMBL1672288,N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1,LVXAMCKZCLWWTF,LVXAMCKZCLWWTF-UHFFFAOYSA-N,"InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H","""AuxInfo=1/0/N:6,7,4,14,17,2,9,5,3,15,8,11,16,12,1,13,10/rA:17NCCCCCCCCSCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1679216,PMID:21207959,2011.0,PMID:21207959,2011,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LVXAMCKZCLWWTF_on_Q14416_WT,Low,ChEMBL30,CHEMBL1672288,N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1,LVXAMCKZCLWWTF,LVXAMCKZCLWWTF-UHFFFAOYSA-N,"InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H","""AuxInfo=1/0/N:6,7,4,14,17,2,9,5,3,15,8,11,16,12,1,13,10/rA:17NCCCCCCCCSCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1679217,PMID:21207959,2011.0,PMID:21207959,2011,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LVXAMCKZCLWWTF_on_Q14833_WT,Low,ChEMBL30,CHEMBL1672288,N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1,LVXAMCKZCLWWTF,LVXAMCKZCLWWTF-UHFFFAOYSA-N,"InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H","""AuxInfo=1/0/N:6,7,4,14,17,2,9,5,3,15,8,11,16,12,1,13,10/rA:17NCCCCCCCCSCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s15;s3d15;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1679218,PMID:21207959,2011.0,PMID:21207959,2011,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LVYJLMJHJOEADD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388816;CHEMBL2408583,O=C1CCCc2c1cnc(Nc1cc(F)ccc1)n2,LVYJLMJHJOEADD,LVYJLMJHJOEADD-UHFFFAOYSA-N,"InChI=1S/C14H12FN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)","""AuxInfo=1/1/N:17,4,16,18,5,3,13,8,14,12,7,6,2,10,15,9,11,19,1/rA:19OCCCCCCCNCNCCCFCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  5.652;  5.650,5.651,0.001,0.001,2.0,5.651,0.001
-LVYOQWSULCOSMP_on_P41594_WT,Low,ChEMBL30,CHEMBL3633974,CC(=O)N1CCCn2nc(CN3CCc4c3cccc4)cc12,LVYOQWSULCOSMP,LVYOQWSULCOSMP-UHFFFAOYSA-N,"InChI=1S/C17H20N4O/c1-13(22)20-8-4-9-21-17(20)11-15(18-21)12-19-10-7-14-5-2-3-6-16(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,19,18,6,20,17,14,5,7,13,21,11,2,15,10,16,22,9,12,4,8,3/rA:22CCONCCCNNCCNCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s4s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-LWBPSUPIGJIVLM_on_P14867_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-LWBPSUPIGJIVLM_on_P18507_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681481;CHEMBL682252;CHEMBL681249;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.890;  6.500;  5.960;  6.580,6.232,0.31,0.179,4.0,6.23,0.305
-LWBPSUPIGJIVLM_on_P28472_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL682252;CHEMBL681481;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.580;  6.500;  5.890;  5.960,6.232,0.31,0.179,4.0,6.23,0.305
-LWBPSUPIGJIVLM_on_P31644_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681481,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-LWBPSUPIGJIVLM_on_P34903_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-LWBPSUPIGJIVLM_on_P47869_WT,Low,ChEMBL30,CHEMBL55467,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1,LWBPSUPIGJIVLM,LWBPSUPIGJIVLM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:24,16,1,5,27,4,28,10,14,11,13,26,23,6,9,3,7,19,8,20,17,12,25,21,15,18,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s20d23;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-LWDQDINLOWAZSL_on_Q14833_WT,Low,ChEMBL30,CHEMBL559828,O=C(Nc1cc(Cl)c(Cl)cc1)c1nccnc1,LWDQDINLOWAZSL,LWDQDINLOWAZSL-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)","""AuxInfo=1/1/N:11,10,15,14,5,17,4,8,6,12,2,9,7,16,13,3,1/rA:17OCNCCCClCClCCCNCCNC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LWEKKTGHNHMKQC_on_Q05586_WT,High,ChEMBL30,CHEMBL246004,Cc1c(Cl)cc2nc(O)c(O)nc2c1N(CC(=O)O)S(C)(=O)=O,LWEKKTGHNHMKQC,LWEKKTGHNHMKQC-UHFFFAOYSA-N,"InChI=1S/C12H12ClN3O6S/c1-5-6(13)3-7-9(15-12(20)11(19)14-7)10(5)16(4-8(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)","""AuxInfo=1/1/N:1,21,5,16,2,3,6,17,13,14,8,10,4,7,12,15,18,19,9,11,22,23,20/E:(17,18)(21,22)/CRV:23.6/rA:23CCCClCCNCOCONCCNCCOOSCOO/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;s14;s15;s16;d17;s17;s15;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-LWFDMVFVKWWYFN_on_O15399_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_O60391_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_Q05586_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_Q12879_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_Q13224_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWFDMVFVKWWYFN_on_Q14957_WT,Low,ChEMBL30,CHEMBL130213,O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,LWFDMVFVKWWYFN,LWFDMVFVKWWYFN-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:13,8,11,9,6,7,4,15,2,12,10,5,14,16,1,3/E:(15,16)/rA:16OCOCNCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s9;s11;s6d11;s7;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-LWGKDNSBIOCANF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL245897;11452267,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)C1CCCCC1,LWGKDNSBIOCANF,LWGKDNSBIOCANF-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O3/c23-16-10-11-19(24-20(26)14-6-2-1-3-7-14)15(12-16)13-25-21(27)17-8-4-5-9-18(17)22(25)28/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,26)","""AuxInfo=1/1/N:26,25,27,18,19,24,28,17,20,6,5,9,11,23,10,7,16,15,4,2,21,13,8,3,12,1,22,14/E:(2,3)(4,5)(6,7)(8,9)(17,18)(21,22)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-LWILQFQZBKEWQK_on_P41594_WT,High,ChEMBL30,CHEMBL188911,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1nccnc1,LWILQFQZBKEWQK,LWILQFQZBKEWQK-UHFFFAOYSA-N,"InChI=1S/C20H15N5O/c26-20(18-14-21-11-12-22-18)23-19-13-17(15-7-3-1-4-8-15)24-25(19)16-9-5-2-6-10-16/h1-14H,(H,23,26)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,24,23,5,26,7,15,6,21,4,2,25,22,3,13,14,1/E:(3,4)(5,6)(7,8)(9,10)/rA:26OCNCCCCCCCCCNNCCCCCCCNCCNC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-LWLYOXPDYPYNHH_on_O00591_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_O14764_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P14867_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P18505_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P18507_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P28472_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P31644_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P34903_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P47869_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P47870_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P48169_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_P78334_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_Q16445_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWLYOXPDYPYNHH_on_Q99928_WT,Low,ChEMBL30,CHEMBL182710,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1,LWLYOXPDYPYNHH,LWLYOXPDYPYNHH-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(9-4-2-3-5-10(9)18(24,25)26)15(27)29(28-16)14-11(19)6-8(7-12(14)20)17(21,22)23/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,29,28,30,27,9,15,10,21,22,7,16,20,6,18,3,11,23,8,17,12,13,14,24,25,26,19,4,5,2/E:(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCFFFCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;s23;s23;s22;d27;s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-LWNCQFKIWULIRV_on_P41594_WT,Medium,ChEMBL30,CHEMBL187470,CCc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,LWNCQFKIWULIRV,LWNCQFKIWULIRV-UHFFFAOYSA-N,"InChI=1S/C20H16FN5/c1-2-14-7-3-4-8-18(14)15-11-16(21)13-17(12-15)26-24-20(23-25-26)19-9-5-6-10-22-19/h3-13H,2H2,1H3","""AuxInfo=1/0/N:1,2,25,24,19,18,26,23,20,17,6,22,9,3,5,7,10,4,15,14,8,16,13,21,12,11/rA:26CCCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s5d10;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-LWSXGYHHSXDFIC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403703;71713324,CN1CCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)CC1,LWSXGYHHSXDFIC,LWSXGYHHSXDFIC-UHFFFAOYSA-N,"InChI=1S/C21H23N3OS/c1-23-12-9-17(10-13-23)21(25)24-14-11-18-19(15-24)26-20(22-18)8-7-16-5-3-2-4-6-16/h2-6,17H,9-15H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,17,16,4,25,10,3,26,9,13,18,5,11,12,15,6,24,2,8,7,14/E:(3,4)(5,6)(9,10)(12,13)/rA:26CNCCCCONCCCCCSCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;s5;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-LWUDDYHYYNNIQI_on_P14867_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.460,9.46,0.0,0.0,1.0,9.46,0.0
-LWUDDYHYYNNIQI_on_P18507_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL681248;CHEMBL683045;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.300;  9.190;  7.900;  9.460;  9.700,9.11,0.629,0.314,5.0,9.3,0.16
-LWUDDYHYYNNIQI_on_P28472_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.190;  9.460;  9.700;  9.300;  7.900,9.11,0.629,0.314,5.0,9.3,0.16
-LWUDDYHYYNNIQI_on_P31644_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-LWUDDYHYYNNIQI_on_P34903_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-LWUDDYHYYNNIQI_on_P47869_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-LWUDDYHYYNNIQI_on_Q16445_WT,Low,ChEMBL30,CHEMBL366947,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1,LWUDDYHYYNNIQI,LWUDDYHYYNNIQI-UHFFFAOYSA-N,"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3","""AuxInfo=1/0/N:1,3,4,20,12,21,19,11,13,25,22,18,10,17,8,9,15,6,2,23,26,14,24,16,7,5/E:(1,2,3)/rA:26CCCCOCOCCCCCCNCOCCCCCCBrNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s9s18;s24;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-LWUPYXQHUIDZGI_on_Q14416_WT,High,ChEMBL30,CHEMBL2029798,CC(C)CCn1ccc(-c2ccc(Oc3ccccn3)cc2)c(C#N)c1=O,LWUPYXQHUIDZGI,LWUPYXQHUIDZGI-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-16(2)10-13-25-14-11-19(20(15-23)22(25)26)17-6-8-18(9-7-17)27-21-5-3-4-12-24-21/h3-9,11-12,14,16H,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,16,11,22,12,21,4,8,19,5,7,24,2,10,13,9,23,15,26,25,20,6,27,14/E:(1,2)(6,7)(8,9)/rA:27CCCCCNCCCCCCCOCCCCCNCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-LWWWGLNBPILIGM_on_P14867_WT,Low,ChEMBL30,CHEMBL364505,c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1,LWWWGLNBPILIGM,LWWWGLNBPILIGM-UHFFFAOYSA-N,InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H,"""AuxInfo=1/0/N:1,2,24,3,23,16,20,11,17,19,12,22,8,4,15,9,10,5,14,18,13,7,21,6/E:(2,3)(4,5)(6,7)(9,10)/rA:24CCCCCNNCCCCCNCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s5d9;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-LWWWGLNBPILIGM_on_P18507_WT,Low,ChEMBL30,CHEMBL364505,c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1,LWWWGLNBPILIGM,LWWWGLNBPILIGM-UHFFFAOYSA-N,InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H,"""AuxInfo=1/0/N:1,2,24,3,23,16,20,11,17,19,12,22,8,4,15,9,10,5,14,18,13,7,21,6/E:(2,3)(4,5)(6,7)(9,10)/rA:24CCCCCNNCCCCCNCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s5d9;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882866;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.800;  8.890;  8.510,8.732999999999999,0.162,0.115,3.0,8.8,0.09
-LWWWGLNBPILIGM_on_P28472_WT,Low,ChEMBL30,CHEMBL364505,c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1,LWWWGLNBPILIGM,LWWWGLNBPILIGM-UHFFFAOYSA-N,InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H,"""AuxInfo=1/0/N:1,2,24,3,23,16,20,11,17,19,12,22,8,4,15,9,10,5,14,18,13,7,21,6/E:(2,3)(4,5)(6,7)(9,10)/rA:24CCCCCNNCCCCCNCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s5d9;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.510;  8.890;  8.800,8.732999999999999,0.162,0.115,3.0,8.8,0.09
-LWWWGLNBPILIGM_on_P31644_WT,Low,ChEMBL30,CHEMBL364505,c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1,LWWWGLNBPILIGM,LWWWGLNBPILIGM-UHFFFAOYSA-N,InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H,"""AuxInfo=1/0/N:1,2,24,3,23,16,20,11,17,19,12,22,8,4,15,9,10,5,14,18,13,7,21,6/E:(2,3)(4,5)(6,7)(9,10)/rA:24CCCCCNNCCCCCNCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s5d9;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-LWWWGLNBPILIGM_on_P34903_WT,Low,ChEMBL30,CHEMBL364505,c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1,LWWWGLNBPILIGM,LWWWGLNBPILIGM-UHFFFAOYSA-N,InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H,"""AuxInfo=1/0/N:1,2,24,3,23,16,20,11,17,19,12,22,8,4,15,9,10,5,14,18,13,7,21,6/E:(2,3)(4,5)(6,7)(9,10)/rA:24CCCCCNNCCCCCNCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s5d9;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-LWXCJIJKIBWRNV_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771626;CHEMBL1771625,O=C(C1CCC1)N1CCCCC1c1nc(-c2cccs2)no1,LWXCJIJKIBWRNV,LWXCJIJKIBWRNV-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2S/c20-16(11-5-3-6-11)19-9-2-1-7-12(19)15-17-14(18-21-15)13-8-4-10-22-13/h4,8,10-12H,1-3,5-7,9H2","""AuxInfo=1/0/N:10,9,5,18,4,6,11,17,8,19,3,12,16,15,13,2,14,21,7,1,22,20/E:(5,6)/rA:22OCCCCCNCCCCCCNCCCCCSNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s7s11;s12;d13;s14;s15;d16;s17;d18;s16s19;d15;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.460;  5.580,5.52,0.06,0.06,2.0,5.52,0.06
-LWXIHPKOLTXDET_on_O15399_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_O60391_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_Q05586_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_Q12879_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_Q13224_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LWXIHPKOLTXDET_on_Q14957_WT,Low,ChEMBL30,CHEMBL3219495,CC(NCCN)C(=O)O,LWXIHPKOLTXDET,LWXIHPKOLTXDET-UHFFFAOYSA-N,"InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)","""AuxInfo=1/1/N:1,5,4,2,7,6,3,8,9/E:(8,9)/rA:9CCNCCNCOO/rB:s1;s2;s3;s4;s5;s2;d7;s7;/rC:;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.951,3.951,0.0,0.0,1.0,3.951,0.0
-LXBAEGKBCVHTGA_on_O15399_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_O60391_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_Q05586_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_Q12879_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_Q13224_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBAEGKBCVHTGA_on_Q14957_WT,Low,ChEMBL30,CHEMBL50872,OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2,LXBAEGKBCVHTGA,LXBAEGKBCVHTGA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-12-10-21-19-13-20(22-18-8-4-3-7-17(18)19)23-11-9-15-5-1-2-6-16(15)14-23/h1-8,13,24H,9-12,14H2,(H,21,22)","""AuxInfo=1/1/N:15,14,22,23,16,13,21,24,10,3,9,2,6,17,11,12,20,19,5,7,4,18,8,1/rA:24OCCNCCCNCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;d7;s18;s5d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-LXBUPQQYMHCTRG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947469,Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1,LXBUPQQYMHCTRG,LXBUPQQYMHCTRG-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-14-19(6-3-7-22-14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-5-2-4-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3","""AuxInfo=1/0/N:1,20,5,21,19,6,4,11,12,24,25,27,16,2,22,15,26,18,7,8,23,3,14,10,13,9,17/rA:27CCNCCCCCONCCNNCCOCCCCCFCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s18d22;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-LXRJYHSXEORVIC_on_Q14416_WT,Low,ChEMBL30,CHEMBL1096079,CCCCCCC1CN(c2c(S(C)(=O)=O)cccc2)C(=O)O1,LXRJYHSXEORVIC,LXRJYHSXEORVIC-UHFFFAOYSA-N,"InChI=1S/C16H23NO4S/c1-3-4-5-6-9-13-12-17(16(18)21-13)14-10-7-8-11-15(14)22(2,19)20/h7-8,10-11,13H,3-6,9,12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,3,4,5,18,17,6,19,16,8,7,10,11,20,9,21,14,15,22,12/E:(19,20)/CRV:22.6/rA:22CCCCCCCCNCCSCOOCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d12;d12;s11;d16;s17;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-LXZFJIRPRVGCDF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,24884476;CHEMBL2011876,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Cl)cc1,LXZFJIRPRVGCDF,LXZFJIRPRVGCDF-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCClCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:652690;CHEMBL2016181,PMID:22386665,2012.0,PubChemAID:652690;PMID:22386665,2013;2012,0;1,0,0,0,1;0,,=,  5.914;  5.910,5.912000000000001,0.002,0.002,2.0,5.912000000000001,0.002
-LXZFJIRPRVGCDF_on_Q13255_WT,High,ChEMBL30,CHEMBL2011876,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Cl)cc1,LXZFJIRPRVGCDF,LXZFJIRPRVGCDF-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCClCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-LXZKLGATLUDYKW_on_Q14833_WT,High,ChEMBL30,CHEMBL3797445,COc1ccc2CN(c3c(Cl)cc(NC(=O)c4c(N)cccn4)cc3)C(=O)c2c1,LXZKLGATLUDYKW,LXZKLGATLUDYKW-UHFFFAOYSA-N,"InChI=1S/C21H17ClN4O3/c1-29-14-6-4-12-11-26(21(28)15(12)10-14)18-7-5-13(9-16(18)22)25-20(27)19-17(23)3-2-8-24-19/h2-10H,11,23H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,21,20,5,24,4,25,22,12,29,7,6,13,3,28,10,18,9,17,15,26,11,19,23,14,8,16,27,2/rA:29COCCCCCNCCClCCNCOCCNCCCNCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s10;d12;s13;s14;d15;s15;d17;s18;s18;d20;s21;s17d22;s13;s9d24;s8;d26;s6s26;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  9.500;  6.500,8.0,1.5,1.5,2.0,8.0,1.5
-LYALEPIXECFARJ_on_P14867_WT,Low,ChEMBL30,CHEMBL294990,Cc1csc(-c2cc(-c3cc4c(cccc4)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,LYALEPIXECFARJ,LYALEPIXECFARJ-UHFFFAOYSA-N,"InChI=1S/C27H21N3OS/c1-17-16-32-26(29-17)23-14-22(21-9-8-18-5-2-3-6-20(18)13-21)25-24-15-28-11-10-19(24)7-4-12-30(25)27(23)31/h2-3,5-6,8-11,13-16H,4,7,12H2,1H3","""AuxInfo=1/0/N:1,14,15,27,13,16,26,17,18,22,23,28,10,7,25,3,2,12,21,11,9,8,6,20,19,5,30,24,32,29,31,4/rA:32CCCSCCCCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s9d17;d8;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19s28;s6s29;d30;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-LYALEPIXECFARJ_on_P34903_WT,Low,ChEMBL30,CHEMBL294990,Cc1csc(-c2cc(-c3cc4c(cccc4)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,LYALEPIXECFARJ,LYALEPIXECFARJ-UHFFFAOYSA-N,"InChI=1S/C27H21N3OS/c1-17-16-32-26(29-17)23-14-22(21-9-8-18-5-2-3-6-20(18)13-21)25-24-15-28-11-10-19(24)7-4-12-30(25)27(23)31/h2-3,5-6,8-11,13-16H,4,7,12H2,1H3","""AuxInfo=1/0/N:1,14,15,27,13,16,26,17,18,22,23,28,10,7,25,3,2,12,21,11,9,8,6,20,19,5,30,24,32,29,31,4/rA:32CCCSCCCCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s14;s11d15;s12;s9d17;d8;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19s28;s6s29;d30;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-LYBURRCIXUSBMB_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647539,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C3CC3)cc2OC)c1,LYBURRCIXUSBMB,LYBURRCIXUSBMB-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O3S/c1-3-28-13-25-22-19(12-26-27-23(22)28)14-4-9-20(24)18(10-14)17-8-7-16(11-21(17)31-2)32(29,30)15-5-6-15/h4,7-13,15H,3,5-6H2,1-2H3","""AuxInfo=1/0/N:1,31,2,13,26,27,20,19,14,32,28,10,4,12,25,21,18,17,11,15,29,6,7,16,5,9,8,3,23,24,30,22/E:(5,6)(29,30)/CRV:32.6/rA:32CCNCNCCNNCCCCCCFCCCCCSOOCCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s25s26;s21;s18d28;s29;s30;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-LYCSUAGKQMUTBR_on_O00222_WT,Low,ChEMBL30,CHEMBL60238,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1,LYCSUAGKQMUTBR,LYCSUAGKQMUTBR-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LYCSUAGKQMUTBR_on_O15303_WT,Medium,ChEMBL30,CHEMBL60238,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1,LYCSUAGKQMUTBR,LYCSUAGKQMUTBR-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-LYCSUAGKQMUTBR_on_P41594_WT,Low,ChEMBL30,CHEMBL60238,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1,LYCSUAGKQMUTBR,LYCSUAGKQMUTBR-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:9873471,1998.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.222,3.222,0.0,0.0,1.0,3.222,0.0
-LYCSUAGKQMUTBR_on_Q14416_WT,Low,ChEMBL30,CHEMBL60238,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1,LYCSUAGKQMUTBR,LYCSUAGKQMUTBR-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218;CHEMBL718205,PMID:9873471,1998.0,PMID:10893301;PMID:9873471,2000;1998,0;1,0,0,1;0,0,,=,  3.699;  3.917,3.8080000000000003,0.109,0.109,2.0,3.8080000000000003,0.109
-LYCSUAGKQMUTBR_on_Q14832_WT,Low,ChEMBL30,CHEMBL60238,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1,LYCSUAGKQMUTBR,LYCSUAGKQMUTBR-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-LYDKDODJIBQNLK_on_Q14416_WT,High,ChEMBL30,CHEMBL3947764,FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,LYDKDODJIBQNLK,LYDKDODJIBQNLK-UHFFFAOYSA-N,"InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2","""AuxInfo=1/0/N:15,14,16,13,17,26,27,10,18,20,9,19,21,24,7,25,12,11,6,23,5,30,2,1,3,4,28,29,8,22/E:(2,3)(4,5)(6,7)(8,9)(11,12)(24,25,26)/rA:30FCFFCCCNCCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;s8s18;s6;d20;s21;s22;s23;s24;s25;s25s26;d23;s28;s5s22d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844;CHEMBL4309033;CHEMBL4309035;CHEMBL4309034,PMID:27579727,2016.0,PMID:27579727;PMID:29494768;PMID:29494768;PMID:29494768,2016;2018;2018;2018,0,1;1;0;0,0,0;0;1;1,0,,=,  7.680;  7.740;  8.120;  8.120,7.915,0.20600000000000002,0.11900000000000001,4.0,7.93,0.19
-LYENJPWKMIUSLI_on_P41594_WT,High,ChEMBL30,CHEMBL3655644,O=C(Nc1cc(Oc2cncnc2)ccn1)c1cc(Br)ccc1,LYENJPWKMIUSLI,LYENJPWKMIUSLI-UHFFFAOYSA-N,"InChI=1S/C16H11BrN4O2/c17-12-3-1-2-11(6-12)16(22)21-15-7-13(4-5-20-15)23-14-8-18-10-19-9-14/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,23,21,14,15,18,5,9,13,11,17,19,6,8,4,2,20,10,12,16,3,1,7/E:(8,9)(18,19)/rA:23OCNCCCOCCNCNCCCNCCCBrCCC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d6;s14;s4d15;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-LYHRSGPNRBPYDG_on_P41594_WT,High,ChEMBL30,CHEMBL182950,Cc1cccc(C#Cc2csc(C)n2)c1,LYHRSGPNRBPYDG,LYHRSGPNRBPYDG-UHFFFAOYSA-N,"InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3","""AuxInfo=1/0/N:1,13,4,3,5,7,8,15,10,2,12,6,9,14,11/rA:15CCCCCCCCCCSCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;s12;s9d12;s2d6;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431;CHEMBL864050,PMID:15225713,2004.0,PMID:15225713;PMID:16451073,2004;2006,1,0,0,0,0,,=,  8.700;  7.080,7.89,0.81,0.81,2.0,7.89,0.81
-LYIFODMNMQEHHB_on_Q14416_WT,High,ChEMBL30,CHEMBL3337498,CC(C)CCn1ccc(CCc2ccccc2)c(C#N)c1=O,LYIFODMNMQEHHB,LYIFODMNMQEHHB-UHFFFAOYSA-N,"InChI=1S/C19H22N2O/c1-15(2)10-12-21-13-11-17(18(14-20)19(21)22)9-8-16-6-4-3-5-7-16/h3-7,11,13,15H,8-10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,4,8,5,7,19,2,12,9,18,21,20,6,22/E:(1,2)(4,5)(6,7)/rA:22CCCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d9;s18;t19;s6s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-LYIUKQISXUHOKK_on_Q05586_WT,Medium,ChEMBL30,CHEMBL116224,O=C1Cc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)N1,LYIUKQISXUHOKK,LYIUKQISXUHOKK-UHFFFAOYSA-N,"InChI=1S/C23H24N2O/c26-23-17-21-16-19(8-9-22(21)24-23)7-4-12-25-13-10-20(11-14-25)15-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,20H,10-15,17H2,(H,24,26)","""AuxInfo=1/1/N:20,19,21,10,18,22,9,7,6,14,23,11,13,24,16,25,3,17,8,15,4,5,2,26,12,1/E:(2,3)(5,6)(10,11)(13,14)/rA:26OCCCCCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-LYKNFOYGIIXQJH_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL177962;44387705,Cc1cc2c(ccc(C(C)(C#N)c3ccccc3)c2)nc1O,LYKNFOYGIIXQJH,LYKNFOYGIIXQJH-UHFFFAOYSA-N,"InChI=1S/C19H16N2O/c1-13-10-14-11-16(8-9-17(14)21-18(13)22)19(2,12-20)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,10,16,15,17,14,18,7,6,3,19,11,2,4,13,8,5,21,9,12,20,22/E:(4,5)(6,7)/rA:22CCCCCCCCCCCNCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s9;t11;s9;d13;s14;d15;s16;s13d17;s4d8;s5;s2d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL828343;PubChemAID:242278,PMID:15771457,2005.0,PMID:15771457;PubChemAID:242278,2005;2010,1;0,0,0,0,0;1,,=,  5.300;  5.301,5.3,0.001,0.001,2.0,5.3,0.001
-LYKOVBAVUMRMJG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3902938,CN1C(=O)N(c2ccc(C#Cc3cncnc3)cn2)CC1(C)C,LYKOVBAVUMRMJG,LYKOVBAVUMRMJG-UHFFFAOYSA-N,"InChI=1S/C17H17N5O/c1-17(2)11-22(16(23)21(17)3)15-7-6-13(10-20-15)4-5-14-8-18-12-19-9-14/h6-10,12H,11H2,1-3H3","""AuxInfo=1/0/N:22,23,1,10,11,8,7,13,17,18,20,15,9,12,6,3,21,14,16,19,2,5,4/E:(1,2)(8,9)(18,19)/rA:23CNCONCCCCCCCCNCNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-LYKUJKLCFDFVLZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3982696,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C)c3)cc1,LYKUJKLCFDFVLZ,LYKUJKLCFDFVLZ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-11-3-8-14-15(12-4-6-13(22-2)7-5-12)10-17(18(19)21)20-16(14)9-11/h3-10H,1-2H3,(H2,19,21)","""AuxInfo=1/1/N:19,1,17,5,21,4,22,16,20,8,18,6,3,15,7,14,9,10,11,13,12,2/E:(4,5)(6,7)/rA:22COCCCCCCCCNONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s14d18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-LYKXCFZRVHBZJS_on_O15399_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LYKXCFZRVHBZJS_on_O60391_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LYKXCFZRVHBZJS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LYKXCFZRVHBZJS_on_Q05586_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.770;  7.570,6.67,0.9,0.9,2.0,6.67,0.9
-LYKXCFZRVHBZJS_on_Q12879_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.770;  7.570,6.67,0.9,0.9,2.0,6.67,0.9
-LYKXCFZRVHBZJS_on_Q13224_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LYKXCFZRVHBZJS_on_Q14957_WT,Low,ChEMBL30,CHEMBL12414,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12,LYKXCFZRVHBZJS,LYKXCFZRVHBZJS-UHFFFAOYSA-N,"InChI=1S/C21H20N3O5P/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)22-21(30(27,28)29)16-10-5-11-17-18(16)24-20(26)19(25)23-17/h2-12,21-22H,1H3,(H,23,25)(H,24,26)(H2,27,28,29)","""AuxInfo=1/1/N:1,27,28,23,7,26,24,29,22,6,8,2,25,21,30,5,9,16,11,13,4,3,10,15,12,14,18,19,20,17/E:(27,28,29)/rA:30CCNCCCCCCNCOCONCPOOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;d25;s26;d27;s28;s21s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-LYLXESWVERGTKQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL321746,CCC(CC)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,LYLXESWVERGTKQ,LYLXESWVERGTKQ-UHFFFAOYSA-N,"InChI=1S/C19H23F3N2O3S/c1-3-17(4-2)27-18-9-5-8-16(11-18)24(13-15-7-6-10-23-12-15)28(25,26)14-19(20,21)22/h5-12,17H,3-4,13-14H2,1-2H3","""AuxInfo=1/0/N:1,5,2,4,9,18,19,10,8,17,28,15,13,23,14,11,3,7,24,25,26,27,16,12,21,22,6,20/E:(1,2)(3,4)(20,21,22)(25,26)/CRV:28.6/rA:28CCCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;d20;d20;s20;s23;s24;s24;s24;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-LYMJGMPDRHNJCS_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205917;16730193,COc1ccc(-n2cnc3c(sc4c3c(N(C)C3CC3)ncn4)c2=O)cc1,LYMJGMPDRHNJCS,LYMJGMPDRHNJCS-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2S/c1-23(11-3-4-11)17-14-15-16(27-18(14)21-9-20-17)19(25)24(10-22-15)12-5-7-13(26-2)8-6-12/h5-11H,3-4H2,1-2H3","""AuxInfo=1/0/N:17,1,19,20,5,26,4,27,22,8,18,6,3,14,10,11,15,13,24,21,23,9,16,7,25,2,12/E:(3,4)(5,6)(7,8)/rA:27COCCCCNCNCCSCCCNCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;s18s19;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  8.300;  8.301,8.3,0.001,0.001,2.0,8.3,0.0
-LYSWILUDJIJICI_on_Q14833_WT,High,ChEMBL30,CHEMBL4078081,ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(OC(F)(F)F)cc2,LYSWILUDJIJICI,LYSWILUDJIJICI-UHFFFAOYSA-N,"InChI=1S/C19H11F3N2O3/c20-19(21,22)27-13-5-6-17-14(8-13)15(24-25)9-18(26-17)16-7-11-3-1-2-4-12(11)10-23-16/h1-10,25H","""AuxInfo=1/0/N:12,11,13,10,26,27,15,19,4,8,14,9,20,18,3,6,17,5,22,23,24,25,7,2,1,16,21/E:(20,21,22)/rA:27ONCCCCNCCCCCCCCOCCCCOCFFFCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s21;s22;s22;s22;s20;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-LYTJNDUBGHONAL_on_P41594_WT,High,ChEMBL30,CHEMBL3605288,O=C(c1c(F)cccc1F)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,LYTJNDUBGHONAL,LYTJNDUBGHONAL-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O3/c21-12-3-1-4-13(9-12)27-11-18-24-16-7-8-25(10-17(16)28-18)20(26)19-14(22)5-2-6-15(19)23/h1-6,9H,7-8,10-11H2","""AuxInfo=1/0/N:26,7,25,27,6,8,13,12,22,16,19,23,21,4,9,14,15,18,3,2,24,5,10,28,11,1,20,17/E:(5,6)(14,15)(22,23)/rA:28OCCCFCCCCFNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.490;  6.430,6.46,0.03,0.03,2.0,6.46,0.03
-LYTVXCQQTLUEQR_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1629855;11158623;CHEMBL1629855,Cc1cc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)c(C)c4)NC(=O)C3)c2)cc(C)n1,LYTVXCQQTLUEQR,LYTVXCQQTLUEQR-UHFFFAOYSA-N,"InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)","""AuxInfo=1/1/N:21,1,30,7,6,8,22,3,28,27,14,26,20,2,29,5,9,4,15,10,12,13,24,16,17,18,19,31,11,23,25/E:(2,3)(8,9)(14,15)(25,26,27)/rA:31CCCCCCCCCCNCCCCCFFFCCCNCOCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;w?10;s11;d12;s13;d14;s15;s16;s16;s16;s15;s20;s12d20;s13;s23;d24;s10s24;s5d9;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1639554;PubChemAID:548400;CHEMBL2390125,PMID:20971004,2010.0,PMID:20971004;PubChemAID:548400;PMID:23718281,2010;2011;2013,1;0;1,0,0,0,0;1;0,,=,  7.850;  7.854;  6.530,7.4110000000000005,0.623,0.441,3.0,7.85,0.004
-LYTVXCQQTLUEQR_on_Q14832_WT,High,ChEMBL30,CHEMBL1629855,Cc1cc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)c(C)c4)NC(=O)C3)c2)cc(C)n1,LYTVXCQQTLUEQR,LYTVXCQQTLUEQR-UHFFFAOYSA-N,"InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)","""AuxInfo=1/1/N:21,1,30,7,6,8,22,3,28,27,14,26,20,2,29,5,9,4,15,10,12,13,24,16,17,18,19,31,11,23,25/E:(2,3)(8,9)(14,15)(25,26,27)/rA:31CCCCCCCCCCNCCCCCFFFCCCNCOCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;w?10;s11;d12;s13;d14;s15;s16;s16;s16;s15;s20;s12d20;s13;s23;d24;s10s24;s5d9;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2390124,PMID:22607673,2012.0,PMID:23718281,2013,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-LYUGOMIBUDUOBQ_on_P31644_WT,High,ChEMBL30,CHEMBL3676476,Cc1c(COc2ccc(C(=O)NCC(=O)OC(C)(C)C)cn2)c(-c2ccccc2)no1,LYUGOMIBUDUOBQ,LYUGOMIBUDUOBQ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O5/c1-15-18(21(26-31-15)16-8-6-5-7-9-16)14-29-19-11-10-17(12-24-19)22(28)25-13-20(27)30-23(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,28)","""AuxInfo=1/1/N:1,18,19,20,27,26,28,25,29,8,7,21,13,4,2,24,9,3,6,14,23,10,17,22,12,30,15,11,5,16,31/E:(2,3,4)(6,7)(8,9)/rA:31CCCCOCCCCCONCCOOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s14;s16;s17;s17;s17;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-LYXHWNNDUVMWRX_on_P18507_WT,Low,ChEMBL30,CHEMBL210400,Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F,LYXHWNNDUVMWRX,LYXHWNNDUVMWRX-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,27,15,14,25,28,16,18,21,7,4,13,24,29,22,6,23,12,9,30,17,5,20,3,19,10,2,11,8/rA:30CNNCNCCOCNNCCCCCNCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-LYXHWNNDUVMWRX_on_P28472_WT,Low,ChEMBL30,CHEMBL210400,Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F,LYXHWNNDUVMWRX,LYXHWNNDUVMWRX-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,27,15,14,25,28,16,18,21,7,4,13,24,29,22,6,23,12,9,30,17,5,20,3,19,10,2,11,8/rA:30CNNCNCCOCNNCCCCCNCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-LYXHWNNDUVMWRX_on_P34903_WT,Low,ChEMBL30,CHEMBL210400,Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F,LYXHWNNDUVMWRX,LYXHWNNDUVMWRX-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,27,15,14,25,28,16,18,21,7,4,13,24,29,22,6,23,12,9,30,17,5,20,3,19,10,2,11,8/rA:30CNNCNCCOCNNCCCCCNCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-LYZCPNJIFQNJQM_on_P18507_WT,Low,ChEMBL30,CHEMBL208940,Cn1ncnc1COc1nn2c(-c3cocc3)nncc2c1-c1ccccc1F,LYZCPNJIFQNJQM,LYZCPNJIFQNJQM-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(13-4-2-3-5-14(13)20)15-8-22-24-18(27(15)25-19)12-6-7-28-9-12/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,17,16,20,14,7,4,13,23,28,21,6,22,12,9,29,5,19,3,18,10,2,11,15,8/rA:29CNNCNCCOCNNCCCOCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-LYZCPNJIFQNJQM_on_P28472_WT,Low,ChEMBL30,CHEMBL208940,Cn1ncnc1COc1nn2c(-c3cocc3)nncc2c1-c1ccccc1F,LYZCPNJIFQNJQM,LYZCPNJIFQNJQM-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(13-4-2-3-5-14(13)20)15-8-22-24-18(27(15)25-19)12-6-7-28-9-12/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,17,16,20,14,7,4,13,23,28,21,6,22,12,9,29,5,19,3,18,10,2,11,15,8/rA:29CNNCNCCOCNNCCCOCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-LYZCPNJIFQNJQM_on_P34903_WT,Low,ChEMBL30,CHEMBL208940,Cn1ncnc1COc1nn2c(-c3cocc3)nncc2c1-c1ccccc1F,LYZCPNJIFQNJQM,LYZCPNJIFQNJQM-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(13-4-2-3-5-14(13)20)15-8-22-24-18(27(15)25-19)12-6-7-28-9-12/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,27,17,16,20,14,7,4,13,23,28,21,6,22,12,9,29,5,19,3,18,10,2,11,15,8/rA:29CNNCNCCOCNNCCCOCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-LZAJCBKXRGTZBY_on_Q12879_WT,Medium,ChEMBL30,CHEMBL149054,c1ccc(CC2CCN(CCCSc3ccccc3)CC2)cc1,LZAJCBKXRGTZBY,LZAJCBKXRGTZBY-UHFFFAOYSA-N,"InChI=1S/C21H27NS/c1-3-8-19(9-4-1)18-20-12-15-22(16-13-20)14-7-17-23-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2","""AuxInfo=1/0/N:1,17,2,23,16,18,11,3,22,15,19,7,21,10,8,20,12,5,4,6,14,9,13/E:(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:23CCCCCCCCNCCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s6s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.070,4.07,0.0,0.0,1.0,4.07,0.0
-LZAJCBKXRGTZBY_on_Q13224_WT,Medium,ChEMBL30,CHEMBL149054,c1ccc(CC2CCN(CCCSc3ccccc3)CC2)cc1,LZAJCBKXRGTZBY,LZAJCBKXRGTZBY-UHFFFAOYSA-N,"InChI=1S/C21H27NS/c1-3-8-19(9-4-1)18-20-12-15-22(16-13-20)14-7-17-23-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2","""AuxInfo=1/0/N:1,17,2,23,16,18,11,3,22,15,19,7,21,10,8,20,12,5,4,6,14,9,13/E:(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:23CCCCCCCCNCCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s6s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-LZAJCBKXRGTZBY_on_Q14957_WT,Low,ChEMBL30,CHEMBL149054,c1ccc(CC2CCN(CCCSc3ccccc3)CC2)cc1,LZAJCBKXRGTZBY,LZAJCBKXRGTZBY-UHFFFAOYSA-N,"InChI=1S/C21H27NS/c1-3-8-19(9-4-1)18-20-12-15-22(16-13-20)14-7-17-23-21-10-5-2-6-11-21/h1-6,8-11,20H,7,12-18H2","""AuxInfo=1/0/N:1,17,2,23,16,18,11,3,22,15,19,7,21,10,8,20,12,5,4,6,14,9,13/E:(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:23CCCCCCCCNCCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9;s6s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-LZCSDLWPLPEKJT_on_P41594_WT,High,ChEMBL30,CHEMBL3655661,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccn1,LZCSDLWPLPEKJT,LZCSDLWPLPEKJT-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5O2/c16-10-1-2-20-14(3-10)15(22)21-11-4-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)","""AuxInfo=1/1/N:21,22,18,16,5,7,11,15,13,19,4,8,10,17,2,20,6,12,14,23,3,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCCCClCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-LZGSRVSDTBYYNK_on_O00591_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_O14764_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P14867_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P18505_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P18507_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P28472_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P31644_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P34903_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P41594_WT,High,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  7.550;  7.050,7.3,0.25,0.25,2.0,7.3,0.25
-LZGSRVSDTBYYNK_on_P47869_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P47870_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P48169_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_P78334_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZGSRVSDTBYYNK_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410216,Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1,LZGSRVSDTBYYNK,LZGSRVSDTBYYNK-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,12,13,11,5,6,21,22,3,17,15,8,2,18,4,14,7,10,16,23,20,9/rA:23CCCCCCCCNCCCCCCNCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s10d14;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-LZJCOALJKYQUDG_on_P41594_WT,Low,ChEMBL30,CHEMBL3655614,Cc1ccc(Oc2cccc(NC(=O)c3cccc(C#N)c3)n2)cn1,LZJCOALJKYQUDG,LZJCOALJKYQUDG-UHFFFAOYSA-N,"InChI=1S/C19H14N4O2/c1-13-8-9-16(12-21-13)25-18-7-3-6-17(22-18)23-19(24)15-5-2-4-14(10-15)11-20/h2-10,12H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,17,9,18,16,10,8,3,4,22,20,24,2,19,15,5,11,7,13,21,25,23,12,14,6/rA:25CCCCCOCCCCCNCOCCCCCCNCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s15d19;s7d11;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-LZJFIUTYVJDGLJ_on_Q14416_WT,High,ChEMBL30,CHEMBL604469,COc1cc2c(cc1)n(C)c(CN1CCN(c3nc(Cl)ccc3C(F)(F)F)CC1)n2,LZJFIUTYVJDGLJ,LZJFIUTYVJDGLJ-UHFFFAOYSA-N,"InChI=1S/C20H21ClF3N5O/c1-27-16-5-3-13(30-2)11-15(16)25-18(27)12-28-7-9-29(10-8-28)19-14(20(22,23)24)4-6-17(21)26-19/h3-6,11H,7-10,12H2,1-2H3","""AuxInfo=1/0/N:10,1,8,22,7,21,14,29,15,28,4,12,3,23,5,6,19,11,17,24,20,25,26,27,30,18,9,13,16,2/E:(7,8)(9,10)(22,23,24)/rA:30COCCCCCCNCCCNCCNCNCClCCCCFFFCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s9;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s23;s24;s24;s24;s16;s13s28;s5d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-LZNPISMSQMHQPS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3925507,Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,LZNPISMSQMHQPS,LZNPISMSQMHQPS-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15/h2-9,11-13H,10H2,1H3,(H2,25,28)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,3,4,8,28,21,6,2,9,14,7,17,12,13,27,22,23,18,24,5,26,25/E:(3,4)(5,6)/rA:28CCCCNCCCCCCCCCCCCFCCCCCNONCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-LZRKYVHTLBXSQV_on_Q05586_WT,Low,ChEMBL30,CHEMBL3752293,OC1CN(CCCc2ccccc2)CCc2c1cccc2,LZRKYVHTLBXSQV,LZRKYVHTLBXSQV-UHFFFAOYSA-N,"InChI=1S/C19H23NO/c21-19-15-20(13-6-9-16-7-2-1-3-8-16)14-12-17-10-4-5-11-18(17)19/h1-5,7-8,10-11,19,21H,6,9,12-15H2","""AuxInfo=1/0/N:11,10,12,20,19,6,9,13,7,21,18,15,5,14,3,8,16,17,2,4,1/E:(2,3)(7,8)/rA:21OCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s4;s14;s15;s2d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-LZRKYVHTLBXSQV_on_Q13224_WT,Low,ChEMBL30,CHEMBL3752293,OC1CN(CCCc2ccccc2)CCc2c1cccc2,LZRKYVHTLBXSQV,LZRKYVHTLBXSQV-UHFFFAOYSA-N,"InChI=1S/C19H23NO/c21-19-15-20(13-6-9-16-7-2-1-3-8-16)14-12-17-10-4-5-11-18(17)19/h1-5,7-8,10-11,19,21H,6,9,12-15H2","""AuxInfo=1/0/N:11,10,12,20,19,6,9,13,7,21,18,15,5,14,3,8,16,17,2,4,1/E:(2,3)(7,8)/rA:21OCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s4;s14;s15;s2d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-LZTHAJBUMOQDLU_on_P14867_WT,Low,ChEMBL30,CHEMBL1851928,N=c1ccc(-c2ccc(OCc3cc([N+](=O)[O-])ccc3)cc2)nn1CCCC(=O)O,LZTHAJBUMOQDLU,LZTHAJBUMOQDLU-UHFFFAOYSA-N,"InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)","""AuxInfo=1/1/N:19,26,20,18,27,7,22,8,21,4,3,25,13,11,12,6,14,9,5,2,28,1,23,24,15,29,30,16,17,10/E:(6,7)(8,9)(26,27)(28,29)/CRV:25.5/rA:30NCCCCCCCCOCCCCN+OO-CCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s15;d14;s18;s12d19;s9;s6d21;d5;s2s23;s24;s25;s26;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LZTHAJBUMOQDLU_on_P18507_WT,Low,ChEMBL30,CHEMBL1851928,N=c1ccc(-c2ccc(OCc3cc([N+](=O)[O-])ccc3)cc2)nn1CCCC(=O)O,LZTHAJBUMOQDLU,LZTHAJBUMOQDLU-UHFFFAOYSA-N,"InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)","""AuxInfo=1/1/N:19,26,20,18,27,7,22,8,21,4,3,25,13,11,12,6,14,9,5,2,28,1,23,24,15,29,30,16,17,10/E:(6,7)(8,9)(26,27)(28,29)/CRV:25.5/rA:30NCCCCCCCCOCCCCN+OO-CCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s15;d14;s18;s12d19;s9;s6d21;d5;s2s23;s24;s25;s26;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LZTHAJBUMOQDLU_on_P47870_WT,Low,ChEMBL30,CHEMBL1851928,N=c1ccc(-c2ccc(OCc3cc([N+](=O)[O-])ccc3)cc2)nn1CCCC(=O)O,LZTHAJBUMOQDLU,LZTHAJBUMOQDLU-UHFFFAOYSA-N,"InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)","""AuxInfo=1/1/N:19,26,20,18,27,7,22,8,21,4,3,25,13,11,12,6,14,9,5,2,28,1,23,24,15,29,30,16,17,10/E:(6,7)(8,9)(26,27)(28,29)/CRV:25.5/rA:30NCCCCCCCCOCCCCN+OO-CCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s15;d14;s18;s12d19;s9;s6d21;d5;s2s23;s24;s25;s26;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-LZULPCCPFCYJLQ_on_Q14416_WT,High,ChEMBL30,CHEMBL186584,CCCc1c(OC(C)CCC(C)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,LZULPCCPFCYJLQ,LZULPCCPFCYJLQ-UHFFFAOYSA-N,"InChI=1S/C24H30N4O4/c1-5-6-21-22(14-13-20(17(4)29)23(21)30)32-16(3)8-7-15(2)31-19-11-9-18(10-12-19)24-25-27-28-26-24/h9-16,30H,5-8H2,1-4H3,(H,25,26,27,28)","""AuxInfo=1/1/N:1,12,8,29,2,3,10,9,16,23,15,24,26,25,11,7,28,17,14,27,4,5,31,18,19,22,20,21,30,32,13,6/E:(9,10)(11,12)(25,26)(27,28)/rA:32CCCCCOCCCCCCOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s11;s13;d14;s15;d16;s17;d18;s19;s20;s18d21;s17;s14d23;s5;d25;s26;s27;s28;d28;s4d27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-LZXMUJCJAWVHPZ_on_P41594_WT,High,ChEMBL30,CHEMBL2346738,Fc1cn2cc(CCC#Cc3ncccc3)nc2cc1,LZXMUJCJAWVHPZ,LZXMUJCJAWVHPZ-UHFFFAOYSA-N,"InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2","""AuxInfo=1/0/N:9,8,15,14,10,16,7,20,19,13,3,5,2,11,6,18,1,12,17,4/rA:20FCCNCCCCCCCNCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s6;s4d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-LZXZUABCXJZUIY_on_Q05586_WT,Low,ChEMBL30,CHEMBL390521,NCCCCNCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,LZXZUABCXJZUIY,LZXZUABCXJZUIY-UHFFFAOYSA-N,"InChI=1S/C24H35N5O/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-22-12-3-1-10-20(22)21-11-2-4-13-23(21)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:22,29,23,28,3,4,12,13,8,21,30,24,27,2,5,11,7,9,14,20,25,19,26,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:30NCCCCNCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s18d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.720;  6.680,6.7,0.02,0.02,2.0,6.7,0.02
-LZXZUABCXJZUIY_on_Q12879_WT,Low,ChEMBL30,CHEMBL390521,NCCCCNCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,LZXZUABCXJZUIY,LZXZUABCXJZUIY-UHFFFAOYSA-N,"InChI=1S/C24H35N5O/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-22-12-3-1-10-20(22)21-11-2-4-13-23(21)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:22,29,23,28,3,4,12,13,8,21,30,24,27,2,5,11,7,9,14,20,25,19,26,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:30NCCCCNCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s18d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-LZXZUABCXJZUIY_on_Q13224_WT,Low,ChEMBL30,CHEMBL390521,NCCCCNCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,LZXZUABCXJZUIY,LZXZUABCXJZUIY-UHFFFAOYSA-N,"InChI=1S/C24H35N5O/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-22-12-3-1-10-20(22)21-11-2-4-13-23(21)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:22,29,23,28,3,4,12,13,8,21,30,24,27,2,5,11,7,9,14,20,25,19,26,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:30NCCCCNCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s18d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-LZZDJGGNZRMJTC_on_P41594_WT,High,ChEMBL30,CHEMBL3702442,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccn1)ccc3,LZZDJGGNZRMJTC,LZZDJGGNZRMJTC-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23-12-26-22(28-13-20(27-14-28)15-4-5-15)10-21-18-3-1-2-17(16(18)6-9-29(21)23)19-11-24-7-8-25-19/h1-3,7-8,10-11,13-15H,4-6,9,12H2","""AuxInfo=1/0/N:29,28,30,11,12,18,25,26,19,14,23,3,13,7,10,17,21,16,22,9,15,5,2,24,27,4,8,6,20,1/E:(4,5)/rA:30OCCNCNCNCCCCCCCCCCCNCCCNCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;d21;s28;s16d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-LZZDJGGNZRMJTC_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702442,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccn1)ccc3,LZZDJGGNZRMJTC,LZZDJGGNZRMJTC-UHFFFAOYSA-N,"InChI=1S/C23H20N6O/c30-23-12-26-22(28-13-20(27-14-28)15-4-5-15)10-21-18-3-1-2-17(16(18)6-9-29(21)23)19-11-24-7-8-25-19/h1-3,7-8,10-11,13-15H,4-6,9,12H2","""AuxInfo=1/0/N:29,28,30,11,12,18,25,26,19,14,23,3,13,7,10,17,21,16,22,9,15,5,2,24,27,4,8,6,20,1/E:(4,5)/rA:30OCCNCNCNCCCCCCCCCCCNCCCNCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;d21;s28;s16d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-MABGNWOHQOCYHW_on_Q05586_WT,Low,ChEMBL30,CHEMBL1801979,CS(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2,MABGNWOHQOCYHW,MABGNWOHQOCYHW-UHFFFAOYSA-N,"InChI=1S/C21H25FN4O2S/c1-29(27,28)25-18-6-7-19-20(13-18)24-21(23-19)14-26-10-8-16(9-11-26)12-15-2-4-17(22)5-3-15/h2-7,13,16,25H,8-12,14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,21,26,22,25,11,10,17,27,16,28,19,7,14,20,18,23,6,9,8,13,24,12,29,5,15,3,4,2/E:(2,3)(4,5)(8,9)(10,11)(27,28)/CRV:29.6/rA:29CSOONCCCCCCNCCNCCCCCCCCFCCCCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s15s27;s8d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MABGNWOHQOCYHW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1801979,CS(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2,MABGNWOHQOCYHW,MABGNWOHQOCYHW-UHFFFAOYSA-N,"InChI=1S/C21H25FN4O2S/c1-29(27,28)25-18-6-7-19-20(13-18)24-21(23-19)14-26-10-8-16(9-11-26)12-15-2-4-17(22)5-3-15/h2-7,13,16,25H,8-12,14H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,21,26,22,25,11,10,17,27,16,28,19,7,14,20,18,23,6,9,8,13,24,12,29,5,15,3,4,2/E:(2,3)(4,5)(8,9)(10,11)(27,28)/CRV:29.6/rA:29CSOONCCCCCCNCCNCCCCCCCCFCCCCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s15s27;s8d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MAHIHFKKDJNURQ_on_P41594_WT,High,ChEMBL30,CHEMBL4085572,Cc1csc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)n1,MAHIHFKKDJNURQ,MAHIHFKKDJNURQ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,19,9,17,15,6,3,2,20,18,13,8,5,10,26,14,12,11,16,7,4/E:(3,4)(5,6)/rA:26CCCSCCOCCCONCNCOCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s12s17;s18;s19;d20;s21;d22;s23;s20d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-MALJLFZWTDICFC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3891422,O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2)nc1)c1nccs1,MALJLFZWTDICFC,MALJLFZWTDICFC-UHFFFAOYSA-N,"InChI=1S/C13H8F2N4O3S2/c14-10-2-1-9(5-11(10)15)24(21,22)19-7-8(6-17-19)18-12(20)13-16-3-4-23-13/h1-7H,(H,18,20)","""AuxInfo=1/1/N:11,12,22,23,17,19,5,4,10,13,15,2,20,14,16,21,18,3,6,1,8,9,24,7/E:(21,22)/CRV:24.6/rA:24OCNCCNSOOCCCCFCFCNCCNCCS/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s6;s4d18;s2;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-MAOFEFGTNVEDRM_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013204,Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CN1CCCC1,MAOFEFGTNVEDRM,MAOFEFGTNVEDRM-UHFFFAOYSA-N,"InChI=1S/C18H17F2N3O/c19-13-5-3-4-11(16(13)20)18-21-14-6-7-15(24)12(17(14)22-18)10-23-8-1-2-9-23/h3-7,24H,1-2,8-10H2,(H,21,22)","""AuxInfo=1/1/N:22,23,10,9,11,4,3,21,24,19,8,18,12,5,2,14,17,7,13,15,6,16,20,1/E:(1,2)(8,9)/rA:24OCCCCNCCCCCCFCFNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s8d12;s14;d7;s5s16;s2d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-MAOFEFGTNVEDRM_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013204;70695844,Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CN1CCCC1,MAOFEFGTNVEDRM,MAOFEFGTNVEDRM-UHFFFAOYSA-N,"InChI=1S/C18H17F2N3O/c19-13-5-3-4-11(16(13)20)18-21-14-6-7-15(24)12(17(14)22-18)10-23-8-1-2-9-23/h3-7,24H,1-2,8-10H2,(H,21,22)","""AuxInfo=1/1/N:22,23,10,9,11,4,3,21,24,19,8,18,12,5,2,14,17,7,13,15,6,16,20,1/E:(1,2)(8,9)/rA:24OCCCCNCCCCCCFCFNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s8d12;s14;d7;s5s16;s2d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  7.900;  7.900,7.9,0.0,0.0,2.0,7.9,0.0
-MAPLKZRJKHIYAZ_on_O00591_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_O14764_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P18505_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P18507_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P28472_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P31644_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P34903_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P47869_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P48169_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_P78334_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPLKZRJKHIYAZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322867,Nc1cc(CC(=O)O)ccn1,MAPLKZRJKHIYAZ,MAPLKZRJKHIYAZ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,10,3,5,4,2,6,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d4;s9;s2d10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.140;  4.140,4.14,0.0,0.0,2.0,4.14,0.0
-MAPUGNOSARDTSM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939839,NC(=O)c1cc(-c2cn(-c3ccccc3)nc2)c2ccccc2n1,MAPUGNOSARDTSM,MAPUGNOSARDTSM-UHFFFAOYSA-N,"InChI=1S/C19H14N4O/c20-19(24)18-10-16(15-8-4-5-9-17(15)22-18)13-11-21-23(12-13)14-6-2-1-3-7-14/h1-12H,(H2,20,24)","""AuxInfo=1/1/N:13,12,14,20,21,11,15,19,22,5,17,8,7,10,18,6,23,4,2,1,16,24,9,3/E:(2,3)(6,7)/rA:24NCOCCCCCNCCCCCCNCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s7d16;d6;s18;d19;s20;d21;s18s22;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-MAPYADHTVJWATH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL323541,CCOC(=O)C(C)(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,MAPYADHTVJWATH,MAPYADHTVJWATH-UHFFFAOYSA-N,"InChI=1S/C20H23F3N2O5S/c1-4-29-18(26)19(2,3)30-17-9-5-8-16(11-17)25(13-15-7-6-10-24-12-15)31(27,28)14-20(21,22)23/h5-12H,4,13-14H2,1-3H3","""AuxInfo=1/0/N:1,7,8,2,12,21,22,13,11,20,31,18,16,26,17,14,10,4,6,27,28,29,30,19,15,5,24,25,3,9,23/E:(2,3)(21,22,23)(27,28)/CRV:31.6/rA:31CCOCOCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;d4;s4;s6;s6;s6;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;d23;d23;s23;s26;s27;s27;s27;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-MAQRRFANFOCRSD_on_O15399_WT,Low,ChEMBL30,CHEMBL68881;CHEMBL70918;CHEMBL69967,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_O60391_WT,Low,ChEMBL30,CHEMBL68881;CHEMBL70918;CHEMBL69967,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL70918;CHEMBL69967;CHEMBL68881,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.310;  8.120;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_Q05586_WT,Low,ChEMBL30,CHEMBL68881;CHEMBL70918;CHEMBL69967,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_Q12879_WT,Low,ChEMBL30,CHEMBL68881;CHEMBL70918;CHEMBL69967,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_Q13224_WT,Low,ChEMBL30,CHEMBL69967;CHEMBL70918;CHEMBL68881,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MAQRRFANFOCRSD_on_Q14957_WT,Low,ChEMBL30,CHEMBL68881;CHEMBL70918;CHEMBL69967,Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1,MAQRRFANFOCRSD,MAQRRFANFOCRSD-UHFFFAOYSA-N,"InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,26,4,25,17,22,18,21,9,24,10,23,15,6,12,2,16,5,19,13,7,11,20,14,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26CCCCCCCOCCNCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s11;s7s23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.120;  8.310;  8.120,8.183,0.09,0.063,3.0,8.12,0.0
-MARRFCXGCZHDLK_on_P41594_WT,Medium,ChEMBL30,CHEMBL239592,O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc(O)o2,MARRFCXGCZHDLK,MARRFCXGCZHDLK-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,15,16,2,18,7,3,17,1,19,20/rA:20OCNCCCClCCCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912;CHEMBL885913,PMID:17189691,2007.0,PMID:17189691,2007,0;1,0,0,1;0,0,,=,  7.170;  6.710,6.94,0.23,0.23,2.0,6.94,0.23
-MATPZHBYOVDBLI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL284193,NC(C(=O)O)C1C(C(=O)O)C1C(=O)O,MATPZHBYOVDBLI,MATPZHBYOVDBLI-UHFFFAOYSA-N,"InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,11,2,8,12,3,1,9,10,13,14,4,5/E:(2,3)(5,6)(9,10,11,12)(13,14)/gE:(1,2)/rA:14NCCOOCCCOOCCOO/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718222,PMID:12109902,2002.0,PMID:12109902,2002,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MAVHHQOKQQPPKJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797274,CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1,MAVHHQOKQQPPKJ,MAVHHQOKQQPPKJ-UHFFFAOYSA-N,"InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,19,18,20,17,21,6,4,11,5,16,7,14,15,10,3,9,8,13/E:(5,6)(7,8)/rA:21CCNCCCCONNCCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-MAVHHQOKQQPPKJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797274,CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1,MAVHHQOKQQPPKJ,MAVHHQOKQQPPKJ-UHFFFAOYSA-N,"InChI=1S/C15H16N4OS/c1-3-18(13-7-5-4-6-8-13)10-12-9-14(20)19-15(16-12)21-11(2)17-19/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,19,18,20,17,21,6,4,11,5,16,7,14,15,10,3,9,8,13/E:(5,6)(7,8)/rA:21CCNCCCCONNCCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;d10;s11;s11;s9s13;s5d14;s3;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-MAVKFUFZJPOWRW_on_Q14416_WT,High,ChEMBL30,CHEMBL3928875,COC1(c2ccccc2)CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1,MAVKFUFZJPOWRW,MAVKFUFZJPOWRW-UHFFFAOYSA-N,"InChI=1S/C24H27F3N4O/c1-32-23(19-5-3-2-4-6-19)10-13-30(14-11-23)16-18-9-12-31-20(15-17-7-8-17)28-29-22(31)21(18)24(25,26)27/h2-6,9,12,17H,7-8,10-11,13-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,26,27,30,10,32,29,11,31,24,13,25,14,4,23,15,20,3,16,17,18,19,22,21,12,28,2/E:(3,4)(5,6)(7,8)(10,11)(13,14)(25,26,27)/rA:32COCCCCCCCCCNCCCCFFFCNNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s12;s13;d14;s15;s16;s16;s16;s15;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s14d29;s12;s3s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-MAVYALTWHWZSCK_on_P14867_WT,Low,ChEMBL30,CHEMBL1783212,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC=C2C=O,MAVYALTWHWZSCK,MAVYALTWHWZSCK-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h4,11-12,14-16,18,22H,3,5-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2w?20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MAVYALTWHWZSCK_on_P18507_WT,Low,ChEMBL30,CHEMBL1783212,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC=C2C=O,MAVYALTWHWZSCK,MAVYALTWHWZSCK-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h4,11-12,14-16,18,22H,3,5-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2w?20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MAVYALTWHWZSCK_on_P47870_WT,Low,ChEMBL30,CHEMBL1783212,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC=C2C=O,MAVYALTWHWZSCK,MAVYALTWHWZSCK-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h4,11-12,14-16,18,22H,3,5-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2w?20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MAYHTEHJUHRFSA_on_P41594_WT,Low,ChEMBL30,CHEMBL1783874,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,MAYHTEHJUHRFSA,MAYHTEHJUHRFSA-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCClCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MAYHTEHJUHRFSA_on_Q13255_WT,High,ChEMBL30,CHEMBL1783874,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,MAYHTEHJUHRFSA,MAYHTEHJUHRFSA-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCClCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-MAZZBGKHYOJFSH_on_P14867_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-MAZZBGKHYOJFSH_on_P18507_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720;  8.070;  7.470;  7.150,7.603,0.337,0.195,4.0,7.595,0.285
-MAZZBGKHYOJFSH_on_P28472_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720;  8.070;  7.150;  7.470,7.603,0.337,0.195,4.0,7.595,0.285
-MAZZBGKHYOJFSH_on_P31644_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-MAZZBGKHYOJFSH_on_P34903_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-MAZZBGKHYOJFSH_on_P47869_WT,Low,ChEMBL30,CHEMBL178992,OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,MAZZBGKHYOJFSH,MAZZBGKHYOJFSH-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c26-12-4-5-13-27-21-18-15-10-8-14(9-11-15)17(18)20-23-22-19(25(20)24-21)16-6-2-1-3-7-16/h1-3,6-7,14-15,26H,4-5,8-13H2","""AuxInfo=1/0/N:14,13,15,3,4,12,16,24,26,23,27,2,5,25,22,11,20,21,10,19,7,17,18,8,9,1,6/E:(2,3)(6,7)(8,9)(10,11)/rA:27OCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-MBAGGIFLYQBGOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771677;CHEMBL1771678,COc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1,MBAGGIFLYQBGOQ,MBAGGIFLYQBGOQ-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,14,15,22,5,21,23,6,4,13,16,25,20,7,3,12,8,11,18,24,9,17,19,2,10/E:(6,7)/rA:25COCCCCCCNOCCCCCCNCOCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;s20s22;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  7.100;  6.520,6.81,0.29,0.29,2.0,6.81,0.29
-MBCWMEYAVJTLQS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL325140;CHEMBL325140;CHEMBL90675,NC(C(=O)O)C1C(CCC2c3ccccc3Oc3c2cccc3)C1C(=O)O,MBCWMEYAVJTLQS,MBCWMEYAVJTLQS-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:13,21,14,22,12,20,15,23,9,8,10,11,19,7,16,18,6,24,2,25,3,1,26,27,4,5,17/E:(1,2)(3,4)(5,6)(7,8)(12,13)(15,16)(23,24)(25,26)/rA:27NCCOOCCCCCCCCCCCOCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s16;s17;s10d18;s19;d20;s21;s18d22;s6s7;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718204;CHEMBL718219;CHEMBL718218,PMID:10893301,2000.0,PMID:11720869;PMID:11720869;PMID:10893301,2001;2001;2000,1;0;0,0,0,0;1;1,0,,=,  6.700;  7.070;  7.120,6.962999999999999,0.187,0.132,3.0,7.07,0.05
-MBCWMEYAVJTLQS_on_Q14832_WT,Medium,ChEMBL30,CHEMBL90675,NC(C(=O)O)C1C(CCC2c3ccccc3Oc3c2cccc3)C1C(=O)O,MBCWMEYAVJTLQS,MBCWMEYAVJTLQS-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:13,21,14,22,12,20,15,23,9,8,10,11,19,7,16,18,6,24,2,25,3,1,26,27,4,5,17/E:(1,2)(3,4)(5,6)(7,8)(12,13)(15,16)(23,24)(25,26)/rA:27NCCOOCCCCCCCCCCCOCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s16;s17;s10d18;s19;d20;s21;s18d22;s6s7;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MBEFENLYQAIOSY_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205364,COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(F)cc3)ncn4)c2=O)cc1,MBEFENLYQAIOSY,MBEFENLYQAIOSY-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O2S/c1-29-15-8-6-14(7-9-15)27-11-25-17-16-19(26-13-4-2-12(22)3-5-13)23-10-24-20(16)30-18(17)21(27)28/h2-11H,1H3,(H,23,24,26)","""AuxInfo=1/1/N:1,19,22,18,23,5,29,4,30,25,8,20,17,6,3,14,10,11,15,13,27,21,24,26,9,16,7,28,2,12/E:(2,3)(4,5)(6,7)(8,9)/rA:30COCCCCNCNCCSCCCNCCCCFCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;d15;s24;s13d25;s7s11;d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MBFDCVWGWFODLU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3899261,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(C(F)(F)F)C2)c3F)cn1,MBFDCVWGWFODLU,MBFDCVWGWFODLU-UHFFFAOYSA-N,"InChI=1S/C21H21F4N5O/c1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31)","""AuxInfo=1/1/N:1,20,21,15,14,19,6,30,3,17,27,16,4,22,13,5,7,28,12,8,23,29,24,25,26,9,31,11,2,18,10/E:(23,24,25)/rA:31CNCCCCCCNONCCCCCCNCCCCCFFFCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s23;s23;s18s22;s12d16;s28;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-MBMJEVGXSIVNEF_on_P41594_WT,High,ChEMBL30,CHEMBL3747662,COc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1,MBMJEVGXSIVNEF,MBMJEVGXSIVNEF-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-25-17-9-7-16(8-10-17)22-11-12-23-19(20(22)24)13-15(21-23)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,5,25,4,26,8,9,21,13,12,6,3,15,22,23,11,7,10,24,2,14/E:(3,4)(5,6)(7,8)(9,10)/rA:26COCCCCNCCNNCCOCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12;s10d21;s7s22;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.940;  6.960,6.95,0.01,0.01,2.0,6.95,0.01
-MBRABNLWKANAQU_on_P31644_WT,High,ChEMBL30,CHEMBL3681424,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccc(Cl)cc2)no1,MBRABNLWKANAQU,MBRABNLWKANAQU-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O3/c1-13-18(20(25-28-13)15-4-7-17(22)8-5-15)12-27-19-9-6-16(11-23-19)21(26)24-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,15,16,21,26,8,22,25,7,13,17,4,2,14,20,9,23,3,6,19,10,24,18,12,27,11,5,28/E:(2,3)(4,5)(7,8)/rA:28CCCCOCCCCCONCCCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-MBRLOUHOWLUMFF_on_P14867_WT,Low,ChEMBL30,CHEMBL52229,COc1c(CC=C(C)C)c2c(cc1)ccc(=O)o2,MBRLOUHOWLUMFF,MBRLOUHOWLUMFF-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:8,9,1,6,12,14,5,13,15,7,11,4,3,16,10,17,2,18/E:(1,2)/rA:18COCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;s5;w?6;s7;s7;s4;d10;s11;s3d12;s11;d14;s15;d16;s10s16;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-MBRLOUHOWLUMFF_on_P18507_WT,Low,ChEMBL30,CHEMBL52229,COc1c(CC=C(C)C)c2c(cc1)ccc(=O)o2,MBRLOUHOWLUMFF,MBRLOUHOWLUMFF-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:8,9,1,6,12,14,5,13,15,7,11,4,3,16,10,17,2,18/E:(1,2)/rA:18COCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;s5;w?6;s7;s7;s4;d10;s11;s3d12;s11;d14;s15;d16;s10s16;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-MBRLOUHOWLUMFF_on_P47870_WT,Low,ChEMBL30,CHEMBL52229,COc1c(CC=C(C)C)c2c(cc1)ccc(=O)o2,MBRLOUHOWLUMFF,MBRLOUHOWLUMFF-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:8,9,1,6,12,14,5,13,15,7,11,4,3,16,10,17,2,18/E:(1,2)/rA:18COCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;s5;w?6;s7;s7;s4;d10;s11;s3d12;s11;d14;s15;d16;s10s16;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-MBSHXQMGWTUMIH_on_O15399_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_O60391_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_Q05586_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_Q12879_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_Q13224_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSHXQMGWTUMIH_on_Q14957_WT,Low,ChEMBL30,CHEMBL295427,COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC,MBSHXQMGWTUMIH,MBSHXQMGWTUMIH-UHFFFAOYSA-N,"InChI=1S/C12H12N2O6/c1-5(15)20-10-8-6(13-11(16)12(17)14-8)4-7(18-2)9(10)19-3/h4H,1-3H3,(H,13,16)(H,14,17)","""AuxInfo=1/1/N:16,1,20,4,15,5,3,6,18,13,10,8,12,7,17,11,9,2,19,14/rA:20COCCCCNCOCONCOCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s14;s15;d15;s3d13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MBSTVUCDTFVVEN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3928878,Cc1ccc(S(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1,MBSTVUCDTFVVEN,MBSTVUCDTFVVEN-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3S2/c1-11-6-8-13(9-7-11)25(22,23)16-12(2)19-17(24-16)20-15(21)14-5-3-4-10-18-14/h3-10H,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,11,19,20,18,3,25,4,24,21,2,10,5,17,15,9,13,22,12,14,16,7,8,23,6/E:(6,7)(8,9)(22,23)/CRV:25.6/rA:25CCCCCSOOCCCNCNCOCCCCCNSCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;d9;s10;s10;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s9s13;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-MBUPZOYXYDXALG_on_Q14416_WT,High,ChEMBL30,CHEMBL1096712,CC(C)(C)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,MBUPZOYXYDXALG,MBUPZOYXYDXALG-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-20(2,3)15-8-7-11-17(12-15)23-14-18-13-21(19(22)24-18)16-9-5-4-6-10-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,16,15,17,23,24,14,18,22,6,11,9,5,13,7,10,19,2,12,20,8,21/E:(1,2,3)(5,6)(9,10)/rA:24CCCCCCCOCCCNCCCCCCCOOCCC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s10s19;d7;s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-MBXGVZZWGPSLLN_on_P31644_WT,High,ChEMBL30,CHEMBL3686276,CCNC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1,MBXGVZZWGPSLLN,MBXGVZZWGPSLLN-UHFFFAOYSA-N,"InChI=1S/C17H16N4O3/c1-2-18-17(22)12-6-7-15(20-9-12)23-10-13-11-24-21-16(13)14-5-3-4-8-19-14/h3-9,11H,2,10H2,1H3,(H,18,22)","""AuxInfo=1/1/N:1,2,19,20,18,7,8,21,24,11,13,6,12,17,9,16,4,3,22,23,15,5,10,14/rA:24CCNCOCCCCOCCCONCCCCCCNNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;d19;s20;s17d21;s9;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-MBXKGDMNYBZNBO_on_P41594_WT,High,ChEMBL30,CHEMBL2403594,Cc1nc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1,MBXKGDMNYBZNBO,MBXKGDMNYBZNBO-UHFFFAOYSA-N,"InChI=1S/C21H17N3OS/c1-15-6-5-9-18(22-15)21(25)24-13-12-17-19(14-24)26-20(23-17)11-10-16-7-3-2-4-8-16/h2-9H,12-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,25,26,18,22,24,16,15,9,8,12,2,17,10,4,11,14,5,3,23,7,6,13/E:(3,4)(7,8)/rA:26CCNCCONCCCCCSCCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-MBXYDQQMZSJNRN_on_Q14416_WT,High,ChEMBL30,CHEMBL607518,CCCc1cnc2c(C#N)c(N3CCN(c4ccccc4)CC3)ccn12,MBXYDQQMZSJNRN,MBXYDQQMZSJNRN-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-2-6-18-16-23-21-19(15-22)20(9-10-26(18)21)25-13-11-24(12-14-25)17-7-4-3-5-8-17/h3-5,7-10,16H,2,6,11-14H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,3,17,21,24,25,14,22,13,23,9,5,16,4,8,11,7,10,6,15,12,26/E:(4,5)(7,8)(11,12)(13,14)/rA:26CCCCCNCCCNCNCCNCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s11;d24;s4s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-MBZNSAJBODIJCK_on_O00591_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_O14764_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P14867_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P18505_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P18507_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P28472_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P31644_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P34903_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P47869_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P47870_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P48169_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_P78334_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_Q16445_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZNSAJBODIJCK_on_Q99928_WT,Low,ChEMBL30,CHEMBL88721,CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1,MBZNSAJBODIJCK,MBZNSAJBODIJCK-UHFFFAOYSA-N,"InChI=1S/C18H25O3PS2/c1-18(2,3)16-12-23-17(24-13-16)15-9-7-14(8-10-15)6-4-5-11-22(19,20)21/h7-10,16-17H,5,11-13H2,1-3H3,(H2,19,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,11,21,10,22,16,6,24,12,9,5,8,2,18,19,20,17,7,23/E:(1,2,3)(7,8)(9,10)(12,13)(19,20,21)(23,24)/rA:24CCCCCCSCCCCCCCCCPOOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s17;s12;s9d21;s8;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MBZPPLOZGLHLMF_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1806522;CHEMBL1806522;56659585,Cc1cc(-c2cc(Cl)ccc2)ncc1C1CC(F)CN1C(=O)c1cnccn1,MBZPPLOZGLHLMF,MBZPPLOZGLHLMF-UHFFFAOYSA-N,"InChI=1S/C21H18ClFN4O/c1-13-7-18(14-3-2-4-15(22)8-14)26-10-17(13)20-9-16(23)12-27(20)21(28)19-11-24-5-6-25-19/h2-8,10-11,16,20H,9,12H2,1H3","""AuxInfo=1/0/N:1,10,11,9,26,27,3,6,16,13,24,19,2,5,7,17,14,4,23,15,21,8,18,25,28,12,20,22/rA:28CCCCCCCClCCCNCCCCCFCNCOCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s5d10;d4;s12;s2d13;s14;s15;s16;s17;s17;s15s19;s20;d21;s21;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  6.920;  6.580;  6.921,6.807,0.161,0.114,3.0,6.92,0.001
-MBZUZSSPUFLUTF_on_P41594_WT,High,ChEMBL30,CHEMBL3644420,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,MBZUZSSPUFLUTF,MBZUZSSPUFLUTF-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,5,3,26,21,4,20,15,16,24,7,10,8,27,6,12,11,2/E:(5,6)/rA:27COCCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.220;  6.550,7.385,0.835,0.835,2.0,7.385,0.835
-MBZUZSSPUFLUTF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644420,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,MBZUZSSPUFLUTF,MBZUZSSPUFLUTF-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,5,3,26,21,4,20,15,16,24,7,10,8,27,6,12,11,2/E:(5,6)/rA:27COCCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-MCAKTFKDPVNZIW_on_P41594_WT,High,ChEMBL30,CHEMBL2069396,O=C1CCc2c(cc(Cl)cc2)N1CCc1nc(-c2cccc(Cl)c2)no1,MCAKTFKDPVNZIW,MCAKTFKDPVNZIW-UHFFFAOYSA-N,"InChI=1S/C19H15Cl2N3O2/c20-14-3-1-2-13(10-14)19-22-17(26-23-19)8-9-24-16-11-15(21)6-4-12(16)5-7-18(24)25/h1-4,6,10-11H,5,7-9H2","""AuxInfo=1/0/N:20,19,21,11,4,10,3,14,13,24,7,5,18,22,8,6,15,2,17,23,9,16,25,12,1,26/rA:26OCCCCCCCClCCNCCCNCCCCCCClCNO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2s6;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-MCEHEJBDJPHMDU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL552361;45272148,O=C(NCc1cscc1)c1ccc(C#Cc2ccccc2)cc1,MCEHEJBDJPHMDU,MCEHEJBDJPHMDU-UHFFFAOYSA-N,"InChI=1S/C20H15NOS/c22-20(21-14-18-12-13-23-15-18)19-10-8-17(9-11-19)7-6-16-4-2-1-3-5-16/h1-5,8-13,15H,14H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,15,14,12,22,11,23,9,8,4,6,16,13,5,10,2,3,1,7/E:(2,3)(4,5)(8,9)(10,11)/rA:23OCNCCCSCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;PubChemAID:420101,PMID:19443216,2009.0,PMID:19443216;PubChemAID:420101,2009;2010,0,1;0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-MCGRKKMCGKMHHG_on_O00591_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_O14764_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P14867_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P18505_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P18507_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P28472_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P31644_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P34903_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P47869_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P47870_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P48169_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_P78334_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_Q16445_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCGRKKMCGKMHHG_on_Q99928_WT,Low,ChEMBL30,CHEMBL133180,N=c1ccc(-c2ccccc2)nn1CCCC(=O)O,MCGRKKMCGKMHHG,MCGRKKMCGKMHHG-UHFFFAOYSA-N,"InChI=1S/C14H15N3O2/c15-13-9-8-12(11-5-2-1-3-6-11)16-17(13)10-4-7-14(18)19/h1-3,5-6,8-9,15H,4,7,10H2,(H,18,19)","""AuxInfo=1/1/N:9,8,10,15,7,11,16,4,3,14,6,5,2,17,1,12,13,18,19/E:(2,3)(5,6)(18,19)/rA:19NCCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-MCJFNXTZCHTFPE_on_Q14416_WT,High,ChEMBL30,CHEMBL3221844,CCCn1ccc2c(cccc2NCc2ccccc2Cl)c1=O,MCJFNXTZCHTFPE,MCJFNXTZCHTFPE-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-2-11-22-12-10-15-16(19(22)23)7-5-9-18(15)21-13-14-6-3-4-8-17(14)20/h3-10,12,21H,2,11,13H2,1H3","""AuxInfo=1/0/N:1,2,17,18,10,16,9,19,11,6,3,5,14,15,7,8,20,12,22,21,13,4,23/rA:23CCCNCCCCCCCCNCCCCCCCClCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MCJNQTKTSWIMGK_on_P41594_WT,High,ChEMBL30,CHEMBL2113100,C(#Cc1ncccc1)C1=CC(N2CCOCC2)CCC1,MCJNQTKTSWIMGK,MCJNQTKTSWIMGK-UHFFFAOYSA-N,"InChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2","""AuxInfo=1/0/N:7,6,19,20,8,18,1,2,5,13,17,14,16,10,9,3,11,4,12,15/E:(10,11)(12,13)/rA:20CCCNCCCCCCCNCCOCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s13;s14;s15;s12s16;s11;s18;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-MCKAJXMRULSUKI_on_Q14571_WT,Low,ChEMBL30,CHEMBL21825,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O,MCKAJXMRULSUKI,MCKAJXMRULSUKI-UHFFFAOYSA-N,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,10,12,8,14,1,3,4,18,19,20,5,16,2,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14,15,16)(17,18)(19,20)/gE:(1,2)/rA:20OPOOOCCOCOCOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s11;s13;s6s13;s15;s16;d17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL697193;CHEMBL697192,DOI:10.1016/0960-894X(95)00200-D,1995.0,DOI:10.1016/0960-894X(95)00200-D,1995,1,0,0,0,0,,=,  4.700;  4.300,4.5,0.2,0.2,2.0,4.5,0.2
-MCKAJXMRULSUKI_on_Q14573_WT,Low,ChEMBL30,CHEMBL21825,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O,MCKAJXMRULSUKI,MCKAJXMRULSUKI-UHFFFAOYSA-N,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,10,12,8,14,1,3,4,18,19,20,5,16,2,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14,15,16)(17,18)(19,20)/gE:(1,2)/rA:20OPOOOCCOCOCOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s11;s13;s6s13;s15;s16;d17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697192;CHEMBL697193,DOI:10.1016/0960-894X(95)00200-D,1995.0,DOI:10.1016/0960-894X(95)00200-D,1995,1,0,0,0,0,,=,  4.300;  4.700,4.5,0.2,0.2,2.0,4.5,0.2
-MCKAJXMRULSUKI_on_Q14643_WT,Low,ChEMBL30,CHEMBL21825,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O,MCKAJXMRULSUKI,MCKAJXMRULSUKI-UHFFFAOYSA-N,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,10,12,8,14,1,3,4,18,19,20,5,16,2,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14,15,16)(17,18)(19,20)/gE:(1,2)/rA:20OPOOOCCOCOCOCOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s11;s13;s6s13;s15;s16;d17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL697193;CHEMBL697192,DOI:10.1016/0960-894X(95)00200-D,1995.0,DOI:10.1016/0960-894X(95)00200-D,1995,1,0,0,0,0,,=,  4.700;  4.300,4.5,0.2,0.2,2.0,4.5,0.2
-MCLMDSQSSOOSRY_on_P18507_WT,Low,ChEMBL30,CHEMBL565560,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,MCLMDSQSSOOSRY,MCLMDSQSSOOSRY-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-MCLMDSQSSOOSRY_on_P28472_WT,Low,ChEMBL30,CHEMBL565560,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,MCLMDSQSSOOSRY,MCLMDSQSSOOSRY-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-MCLMDSQSSOOSRY_on_P31644_WT,Low,ChEMBL30,CHEMBL565560,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,MCLMDSQSSOOSRY,MCLMDSQSSOOSRY-UHFFFAOYSA-N,"InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-MCPJEMSOWLNCCI_on_Q05586_WT,Low,ChEMBL30,CHEMBL303832,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3cc(F)ccc3)CC1)n2,MCPJEMSOWLNCCI,MCPJEMSOWLNCCI-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)","""AuxInfo=1/1/N:21,22,20,7,6,13,23,12,24,15,17,3,10,14,16,18,2,5,4,9,19,8,25,11,1/E:(6,7)(8,9)/rA:25OCCCCCCNCCNCCCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.360;  8.380,7.87,0.51,0.51,2.0,7.87,0.51
-MCPJEMSOWLNCCI_on_Q13224_WT,Low,ChEMBL30,CHEMBL303832,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3cc(F)ccc3)CC1)n2,MCPJEMSOWLNCCI,MCPJEMSOWLNCCI-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)","""AuxInfo=1/1/N:21,22,20,7,6,13,23,12,24,15,17,3,10,14,16,18,2,5,4,9,19,8,25,11,1/E:(6,7)(8,9)/rA:25OCCCCCCNCCNCCCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.360;  8.380,7.87,0.51,0.51,2.0,7.87,0.51
-MCTKCEDVKWXXGJ_on_P18507_WT,Low,ChEMBL30,CHEMBL583634,CC(C)C(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,MCTKCEDVKWXXGJ,MCTKCEDVKWXXGJ-UHFFFAOYSA-N,"InChI=1S/C16H14BrN5O/c1-9(2)15(23)14-13-6-21-8-19-20-16(21)11-5-10(17)3-4-12(11)22(13)7-18-14/h3-5,7-9H,6H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,20,8,22,10,2,18,14,15,7,6,4,13,19,23,11,12,9,21,5/E:(1,2)/rA:23CCCCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-MCTKCEDVKWXXGJ_on_P28472_WT,Low,ChEMBL30,CHEMBL583634,CC(C)C(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,MCTKCEDVKWXXGJ,MCTKCEDVKWXXGJ-UHFFFAOYSA-N,"InChI=1S/C16H14BrN5O/c1-9(2)15(23)14-13-6-21-8-19-20-16(21)11-5-10(17)3-4-12(11)22(13)7-18-14/h3-5,7-9H,6H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,20,8,22,10,2,18,14,15,7,6,4,13,19,23,11,12,9,21,5/E:(1,2)/rA:23CCCCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-MCTKCEDVKWXXGJ_on_P31644_WT,Low,ChEMBL30,CHEMBL583634,CC(C)C(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,MCTKCEDVKWXXGJ,MCTKCEDVKWXXGJ-UHFFFAOYSA-N,"InChI=1S/C16H14BrN5O/c1-9(2)15(23)14-13-6-21-8-19-20-16(21)11-5-10(17)3-4-12(11)22(13)7-18-14/h3-5,7-9H,6H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,20,8,22,10,2,18,14,15,7,6,4,13,19,23,11,12,9,21,5/E:(1,2)/rA:23CCCCOCCCNCNNCCCCCCBrCNCN/rB:s1;s2;s2;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-MCTWJSDCSKWBJQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3959217,Cc1c(S(=O)(=O)Cc2cccc(Cl)c2F)sc(NC(=O)c2ccccn2)n1,MCTWJSDCSKWBJQ,MCTWJSDCSKWBJQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S2/c1-10-16(27(24,25)9-11-5-4-6-12(18)14(11)19)26-17(21-10)22-15(23)13-7-2-3-8-20-13/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,10,9,11,22,25,7,2,8,12,21,14,19,3,17,13,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCCClCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s12;s8d12;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-MCUJLMXLVVYABG_on_P18507_WT,Low,ChEMBL30,CHEMBL190131,COC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,MCUJLMXLVVYABG,MCUJLMXLVVYABG-UHFFFAOYSA-N,"InChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3","""AuxInfo=1/0/N:1,18,23,19,22,14,15,11,6,17,20,12,9,5,8,16,3,21,13,10,24,7,4,2/E:(2,3)(4,5)/rA:24COCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s7;s16;d17;s18;d19;s20;s20;s17d22;s5d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-MCUJLMXLVVYABG_on_P47869_WT,Low,ChEMBL30,CHEMBL190131,COC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,MCUJLMXLVVYABG,MCUJLMXLVVYABG-UHFFFAOYSA-N,"InChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3","""AuxInfo=1/0/N:1,18,23,19,22,14,15,11,6,17,20,12,9,5,8,16,3,21,13,10,24,7,4,2/E:(2,3)(4,5)/rA:24COCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s7;s16;d17;s18;d19;s20;s20;s17d22;s5d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-MCUJLMXLVVYABG_on_P47870_WT,Low,ChEMBL30,CHEMBL190131,COC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,MCUJLMXLVVYABG,MCUJLMXLVVYABG-UHFFFAOYSA-N,"InChI=1S/C17H11BrCl2N2O2/c1-24-17(23)14-9-22(15-7-6-12(19)8-13(15)20)16(21-14)10-2-4-11(18)5-3-10/h2-9H,1H3","""AuxInfo=1/0/N:1,18,23,19,22,14,15,11,6,17,20,12,9,5,8,16,3,21,13,10,24,7,4,2/E:(2,3)(4,5)/rA:24COCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s7;s16;d17;s18;d19;s20;s20;s17d22;s5d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-MCWBIOWRLJBFJO_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,45484921;CHEMBL577943,Cc1c(-c2ccc3C(=O)CCc3c2)nnn1-c1cnccc1,MCWBIOWRLJBFJO,MCWBIOWRLJBFJO-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c1-11-17(19-20-21(11)14-3-2-8-18-10-14)13-4-6-15-12(9-13)5-7-16(15)22/h2-4,6,8-10H,5,7H2,1H3","""AuxInfo=1/0/N:1,21,22,5,11,6,10,20,13,18,2,12,4,17,7,8,3,19,14,15,16,9/rA:22CCCCCCCCOCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s7s11;s4d12;s3;d14;s2s15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923;CHEMBL1038283,PMID:19692242,2009.0,PubChemAID:446923;PMID:19692242,2010;2009,0;1,0,0,0,1;0,,=,  7.161;  7.160,7.16,0.0,0.0,2.0,7.16,0.0
-MDHWOWNOCXTAQE_on_P31644_WT,High,ChEMBL30,CHEMBL3681578,Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(F)cn2)no1,MDHWOWNOCXTAQE,MDHWOWNOCXTAQE-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O4/c1-9-12(8-23-14-5-2-10(6-19-14)16(21)22)15(20-24-9)13-4-3-11(17)7-18-13/h2-7H,8H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,8,18,17,7,13,21,4,2,9,19,3,16,6,15,10,20,22,14,23,11,12,5,24/E:(21,22)/rA:24CCCCOCCCCCOOCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s19;s16d21;d15;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-MDJSWKIKWQMHSU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107730,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)C3)cc2n1,MDJSWKIKWQMHSU,MDJSWKIKWQMHSU-UHFFFAOYSA-N,"InChI=1S/C21H19F2N3O/c22-15-4-2-14(3-5-15)18-10-20(21(24)27)25-19-9-13(1-6-17(18)19)11-26-8-7-16(23)12-26/h1-6,9-10,16H,7-8,11-12H2,(H2,24,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,25,5,18,24,17,7,10,22,14,6,26,4,2,11,23,1,27,19,3/E:(2,3)(4,5)/rA:27NCOCCCCCCCFCCCCCCCNCCCFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s22;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-MDKSGTAVWYJXII_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830908,COC(=O)c1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,MDKSGTAVWYJXII,MDKSGTAVWYJXII-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2S/c1-23-15(22)11-5-3-7-13(18-11)19-16-20-14-9-8-17-21-10(9)4-2-6-12(14)24-16/h3,5,7-8H,2,4,6H2,1H3,(H,17,21)(H,18,19,20)","""AuxInfo=1/1/N:1,16,7,17,6,15,8,20,19,18,5,14,9,13,3,11,21,24,10,12,22,4,2,23/rA:24COCOCCCCCNCNCCCCCCCCNNSN/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s15;s16;s17;s13d18;s19;d20;s18s21;s11s14;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MDOUHMAMLHPZGT_on_P41594_WT,Medium,ChEMBL30,CHEMBL361923,CCOc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,MDOUHMAMLHPZGT,MDOUHMAMLHPZGT-UHFFFAOYSA-N,"InChI=1S/C20H16FN5O/c1-2-27-19-9-4-3-7-17(19)14-11-15(21)13-16(12-14)26-24-20(23-25-26)18-8-5-6-10-22-18/h3-13H,2H2,1H3","""AuxInfo=1/0/N:1,2,25,26,20,19,24,21,27,18,7,23,10,6,8,11,5,16,4,15,9,17,14,22,13,12,3/rA:27CCOCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s6d11;s5;d24;s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-MDQMRGQLWLSOKM_on_O15399_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_O60391_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_Q05586_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_Q12879_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_Q13224_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDQMRGQLWLSOKM_on_Q14957_WT,Low,ChEMBL30,CHEMBL44079,O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2,MDQMRGQLWLSOKM,MDQMRGQLWLSOKM-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-3-1-2-6(5(12)4(3)11)13-9(16)7(8(2)15)14(17)18/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:18,7,16,14,12,8,4,5,10,17,15,13,9,2,6,11,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCNCOCClCClCClC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s4d9;s10;s8;s12;d12;s14;s14;s16;s7d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MDTAHECBRZZGJE_on_P41594_WT,High,ChEMBL30,CHEMBL3702359,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(C(F)(F)F)ccc3,MDTAHECBRZZGJE,MDTAHECBRZZGJE-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2OS/c19-18(20,21)13-4-1-3-12-11(13)6-7-23-15(12)9-14(22-10-17(23)24)16-5-2-8-25-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:24,8,25,23,7,15,16,9,11,3,14,13,18,5,12,6,2,19,20,21,22,4,17,1,10/E:(19,20,21)/rA:25OCCNCCCCCSCCCCCCNCCFFFCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;s19;s19;s19;d18;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-MDTAHECBRZZGJE_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702359,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(C(F)(F)F)ccc3,MDTAHECBRZZGJE,MDTAHECBRZZGJE-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2OS/c19-18(20,21)13-4-1-3-12-11(13)6-7-23-15(12)9-14(22-10-17(23)24)16-5-2-8-25-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:24,8,25,23,7,15,16,9,11,3,14,13,18,5,12,6,2,19,20,21,22,4,17,1,10/E:(19,20,21)/rA:25OCCNCCCCCSCCCCCCNCCFFFCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;s19;s19;s19;d18;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-MDTMAWZEUAVCQZ_on_P14867_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-MDTMAWZEUAVCQZ_on_P18507_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.690;  7.200;  7.140;  7.030,7.015,0.19699999999999998,0.114,4.0,7.085,0.085
-MDTMAWZEUAVCQZ_on_P28472_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.030;  7.140;  7.200;  6.690,7.015,0.19699999999999998,0.114,4.0,7.085,0.085
-MDTMAWZEUAVCQZ_on_P31644_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-MDTMAWZEUAVCQZ_on_P34903_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-MDTMAWZEUAVCQZ_on_P47869_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-MDTMAWZEUAVCQZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL173347,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2,MDTMAWZEUAVCQZ,MDTMAWZEUAVCQZ-UHFFFAOYSA-N,"InChI=1S/C21H22N2OSi/c1-23-19-11-10-16(12-13-25(2,3)4)14-18(19)21(22-15-20(23)24)17-8-6-5-7-9-17/h5-11,14H,15H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,11,10,12,9,13,17,16,19,20,25,5,18,8,14,15,3,7,6,2,4,21/E:(2,3,4)(6,7)(8,9)/rA:25CNCOCNCCCCCCCCCCCCCCSiCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MDYAJCYWMZKJFX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11231404;CHEMBL195019,CCOc1c(Nc2nc(C(F)(F)F)ccc2)nccc1,MDYAJCYWMZKJFX,MDYAJCYWMZKJFX-UHFFFAOYSA-N,"InChI=1S/C13H12F3N3O/c1-2-20-9-5-4-8-17-12(9)19-11-7-3-6-10(18-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,2,15,19,20,14,16,18,4,9,7,5,10,11,12,13,17,8,6,3/E:(14,15,16)/rA:20CCOCCNCNCCFFFCCCNCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;s10;s10;d9;s14;s7d15;s5;d17;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  5.721;  5.720,5.72,0.0,0.0,2.0,5.72,0.001
-MEAAZOQWXGTOJX_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830712;53387882,c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n[nH]1,MEAAZOQWXGTOJX,MEAAZOQWXGTOJX-UHFFFAOYSA-N,"InChI=1S/C12H12N6S/c1-2-8-7(6-14-17-8)11-9(3-1)19-12(16-11)15-10-4-5-13-18-10/h4-6H,1-3H2,(H,14,17)(H2,13,15,16,18)","""AuxInfo=1/1/N:10,11,9,2,1,14,13,12,8,3,7,5,19,15,4,6,16,18,17/rA:19CCCNCNCCCCCCCCNNSNN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s7d12;s13;d14;s12s15;s5s8;d3;s1s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  5.500;  5.495,5.497999999999999,0.003,0.003,2.0,5.497999999999999,0.002
-MEANENDBNRVQSP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1234887,CCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,MEANENDBNRVQSP,MEANENDBNRVQSP-UHFFFAOYSA-N,"InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)","""AuxInfo=1/1/N:1,2,21,20,22,19,4,6,8,5,17,18,9,13,25,14,12,26,27,28,29,15,3,11,24,7,10,16,23/E:(19,20,21)/rA:29CCNCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s7;s5d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-MEBWTXIADKMHNS_on_Q13224_WT,Medium,ChEMBL30,CHEMBL162080,Cc1cc(CN=C(N)c2ccc(C(F)(F)F)cc2)cc(C)c1,MEBWTXIADKMHNS,MEBWTXIADKMHNS-UHFFFAOYSA-N,"InChI=1S/C17H17F3N2/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:1,21,10,18,11,17,22,3,19,5,2,20,4,9,12,7,13,14,15,16,8,6/E:(1,2)(3,4)(5,6)(8,9)(11,12)(18,19,20)/rA:22CCCCCNCNCCCCCFFFCCCCCC/rB:s1;d2;s3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;d4;s19;s20;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  8.410;  8.060,8.235,0.175,0.175,2.0,8.235,0.175
-MEDCLNYIYBERKO_on_P41594_WT,High,ChEMBL30,CHEMBL3545036,Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1,MEDCLNYIYBERKO,MEDCLNYIYBERKO-UHFFFAOYSA-N,"InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3","""AuxInfo=1/0/N:5,1,13,12,14,10,9,3,17,4,2,11,15,8,6,16,7,18/rA:18CCCCCCNCCCCCCCCFCN/rB:s1;d2;s3;s4;d4;s6;s6;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s2d8;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3996884,PMID:28109949,2017.0,PMID:28109949,2017,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEGDFHWVDNNSJG_on_Q14833_WT,High,ChEMBL30,CHEMBL3808951,O=C(Nc1cn(S(=O)(=O)Cc2ccccc2Cl)cc1)c1ccccn1,MEGDFHWVDNNSJG,MEGDFHWVDNNSJG-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)","""AuxInfo=1/1/N:13,14,22,23,12,15,21,19,24,18,5,10,11,4,16,20,2,17,25,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCCCCClCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s11d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.760;  6.760,6.76,0.0,0.0,2.0,6.76,0.0
-MELDBDQYIOJFIA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3946597,CC1(C)CN(c2ncc(C#Cc3ccccc3)cc2F)C(=O)O1,MELDBDQYIOJFIA,MELDBDQYIOJFIA-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-15(19)10-14(11-20-16)9-8-13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,18,8,4,12,9,19,6,21,2,20,7,5,22,23/E:(1,2)(4,5)(6,7)/rA:23CCCCNCNCCCCCCCCCCCCFCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s19;s5;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MENQCIVHHONJLU_on_O15399_WT,High,ChEMBL30,CHEMBL1179566,CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,MENQCIVHHONJLU,MENQCIVHHONJLU-UHFFFAOYSA-N,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309007,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-MENQCIVHHONJLU_on_Q05586_WT,Low,ChEMBL30,CHEMBL1179566,CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,MENQCIVHHONJLU,MENQCIVHHONJLU-UHFFFAOYSA-N,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  4.630,4.63,0.0,0.0,1.0,4.63,0.0
-MENQCIVHHONJLU_on_Q12879_WT,High,ChEMBL30,CHEMBL1179566,CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,MENQCIVHHONJLU,MENQCIVHHONJLU-UHFFFAOYSA-N,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309003,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-MENQCIVHHONJLU_on_Q13224_WT,High,ChEMBL30,CHEMBL1179566,CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,MENQCIVHHONJLU,MENQCIVHHONJLU-UHFFFAOYSA-N,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:26171651,2015.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-MENQCIVHHONJLU_on_Q14957_WT,High,ChEMBL30,CHEMBL1179566,CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C,MENQCIVHHONJLU,MENQCIVHHONJLU-UHFFFAOYSA-N,"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,3,16,17,18,14,15/E:(23,24,25)/CRV:27.6/rA:27CCOCCCCCCCCCCOSOOOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309006,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-METBKYNDHDGJGY_on_O15399_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_O60391_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_Q05586_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_Q12879_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_Q13224_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METBKYNDHDGJGY_on_Q14957_WT,Low,ChEMBL30,CHEMBL78488,NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1,METBKYNDHDGJGY,METBKYNDHDGJGY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O2/c18-16(19-14-3-1-2-4-15(14)21(22)23)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,18,19,20)","""AuxInfo=1/1/N:22,21,23,20,7,9,11,13,5,12,8,6,10,15,16,2,4,1,14,3,17,18,19/E:(5,6,7)(8,9,10)(11,12,13)(22,23)/CRV:21.5/rA:23NCNCCCCCCCCCCNCCN+OO-CCCC/rB:s1;w?2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;s2;s14;d15;s16;d17;s17;s16;d20;s21;s15d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-METWAQRCMRWDAW_on_P14867_WT,Low,ChEMBL30,CHEMBL30014,CCc1cccc(CC)c1O,METWAQRCMRWDAW,METWAQRCMRWDAW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,5,4,6,3,7,10,11/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s7;s8;s3d7;s10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.900;  3.900,4.4,0.5,0.5,2.0,4.4,0.5
-METWAQRCMRWDAW_on_P18507_WT,Low,ChEMBL30,CHEMBL30014,CCc1cccc(CC)c1O,METWAQRCMRWDAW,METWAQRCMRWDAW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,5,4,6,3,7,10,11/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s7;s8;s3d7;s10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.900;  4.900,4.4,0.5,0.5,2.0,4.4,0.5
-METWAQRCMRWDAW_on_P47870_WT,Low,ChEMBL30,CHEMBL30014,CCc1cccc(CC)c1O,METWAQRCMRWDAW,METWAQRCMRWDAW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,9,2,8,5,4,6,3,7,10,11/E:(1,2)(3,4)(6,7)(8,9)/rA:11CCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s7;s8;s3d7;s10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.900;  4.900,4.4,0.5,0.5,2.0,4.4,0.5
-MEWGBPFYMUBENF_on_O00591_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_O14764_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P14867_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P18505_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P18507_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P28472_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P31644_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P34903_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P47869_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P47870_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P48169_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_P78334_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEWGBPFYMUBENF_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427544,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1,MEWGBPFYMUBENF,MEWGBPFYMUBENF-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,28,4,13,27,32,22,25,19,7,23,6,11,10,31,16,24,17,2,14,26,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MEXAIEAJJBGPIW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257181,CCN(CC)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,MEXAIEAJJBGPIW,MEXAIEAJJBGPIW-UHFFFAOYSA-N,"InChI=1S/C20H26F3N5O2S/c1-3-27(4-2)9-12-10-28(26-17(12)20(21,22)23)11-15(29)25-19-16(18(24)30)13-7-5-6-8-14(13)31-19/h10H,3-9,11H2,1-2H3,(H2,24,30)(H,25,29)","""AuxInfo=1/1/N:1,5,2,4,23,22,24,21,6,8,10,7,19,20,11,15,27,16,14,28,29,30,31,17,13,26,3,9,12,18,25/E:(1,2)(3,4)(21,22,23)/rA:31CCNCCCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;d11;s11;s13;d14;s15;s16;d16;s15;d19;s20;s21;s22;s19s23;s14s20;s9;s7d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-MFASBMRWZUFPGR_on_P31644_WT,High,ChEMBL30,CHEMBL3676521,Cc1c(COc2ccc(C(=O)N3CCOCC3(C)C)cn2)c(-c2ccccc2)no1,MFASBMRWZUFPGR,MFASBMRWZUFPGR-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-16-19(21(25-30-16)17-7-5-4-6-8-17)14-29-20-10-9-18(13-24-20)22(27)26-11-12-28-15-23(26,2)3/h4-10,13H,11-12,14-15H2,1-3H3","""AuxInfo=1/0/N:1,18,19,26,25,27,24,28,8,7,13,14,20,4,16,2,23,9,3,6,22,10,17,21,29,12,11,15,5,30/E:(2,3)(5,6)(7,8)/rA:30CCCCOCCCCCONCCOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;s17;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-MFBGEDUXDPXFRQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771617,O=C(C1CCC1)N1CCCC(c2nc(-c3cc(F)ccc3)no2)C1,MFBGEDUXDPXFRQ,MFBGEDUXDPXFRQ-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2","""AuxInfo=1/0/N:5,20,9,4,6,21,10,19,8,16,24,3,15,11,17,14,12,2,18,13,22,7,1,23/E:(4,5)/rA:24OCCCCCNCCCCCNCCCCFCCCNOC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-MFEPIPQYBXEVQH_on_Q12879_WT,Low,ChEMBL30,CHEMBL150641,c1ccc(CC2CCN(CCSc3nc4c(nccc4)[nH]3)CC2)cc1,MFEPIPQYBXEVQH,MFEPIPQYBXEVQH-UHFFFAOYSA-N,"InChI=1S/C20H24N4S/c1-2-5-16(6-3-1)15-17-8-11-24(12-9-17)13-14-25-20-22-18-7-4-10-21-19(18)23-20/h1-7,10,17H,8-9,11-15H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,25,19,3,24,20,7,23,18,8,22,10,11,5,4,6,15,16,13,17,14,21,9,12/E:(2,3)(5,6)(8,9)(11,12)/rA:25CCCCCCCCNCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFEPIPQYBXEVQH_on_Q13224_WT,Medium,ChEMBL30,CHEMBL150641,c1ccc(CC2CCN(CCSc3nc4c(nccc4)[nH]3)CC2)cc1,MFEPIPQYBXEVQH,MFEPIPQYBXEVQH-UHFFFAOYSA-N,"InChI=1S/C20H24N4S/c1-2-5-16(6-3-1)15-17-8-11-24(12-9-17)13-14-25-20-22-18-7-4-10-21-19(18)23-20/h1-7,10,17H,8-9,11-15H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,25,19,3,24,20,7,23,18,8,22,10,11,5,4,6,15,16,13,17,14,21,9,12/E:(2,3)(5,6)(8,9)(11,12)/rA:25CCCCCCCCNCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-MFEPIPQYBXEVQH_on_Q14957_WT,Low,ChEMBL30,CHEMBL150641,c1ccc(CC2CCN(CCSc3nc4c(nccc4)[nH]3)CC2)cc1,MFEPIPQYBXEVQH,MFEPIPQYBXEVQH-UHFFFAOYSA-N,"InChI=1S/C20H24N4S/c1-2-5-16(6-3-1)15-17-8-11-24(12-9-17)13-14-25-20-22-18-7-4-10-21-19(18)23-20/h1-7,10,17H,8-9,11-15H2,(H,21,22,23)","""AuxInfo=1/1/N:1,2,25,19,3,24,20,7,23,18,8,22,10,11,5,4,6,15,16,13,17,14,21,9,12/E:(2,3)(5,6)(8,9)(11,12)/rA:25CCCCCCCCNCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s13s16;s9;s6s22;s4;s1d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFFJBQJTKAXDHI_on_P31644_WT,High,ChEMBL30,CHEMBL3681460,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccnc2)no1,MFFJBQJTKAXDHI,MFFJBQJTKAXDHI-UHFFFAOYSA-N,"InChI=1S/C18H15F3N4O3/c1-11-14(16(25-28-11)12-3-2-6-22-7-12)9-27-15-5-4-13(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,23,22,8,7,24,26,18,4,13,2,21,9,3,6,20,10,14,15,16,17,25,19,12,27,11,5,28/E:(19,20,21)/rA:28CCCCOCCCCCONCCFFFCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-MFGMPCAQSBOEJR_on_P41594_WT,High,ChEMBL30,CHEMBL3605293,O=C(c1c2ccccc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2,MFGMPCAQSBOEJR,MFGMPCAQSBOEJR-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3/c26-21(20-15-8-4-5-9-16(15)23-24-20)25-11-10-17-18(12-25)28-19(22-17)13-27-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)","""AuxInfo=1/1/N:25,24,26,6,7,23,27,5,8,14,13,17,20,22,4,9,15,16,19,3,2,28,10,11,12,1,21,18/E:(2,3)(6,7)/rA:28OCCCCCCCCNNNCCCCCOCCOCCCCCCN/rB:d1;s2;d3;s4;d5;s6;d7;s4s8;d9;s3s10;s2;s12;s13;s14;d15;s12s16;s16;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.530;  6.540,6.535,0.005,0.005,2.0,6.535,0.005
-MFHJVQXEYIWUCI_on_P14867_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MFHJVQXEYIWUCI_on_P18507_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273617;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910;  7.000;  7.520,7.143,0.26899999999999996,0.19,3.0,7.0,0.09
-MFHJVQXEYIWUCI_on_P28472_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.520;  6.910;  7.000,7.143,0.26899999999999996,0.19,3.0,7.0,0.09
-MFHJVQXEYIWUCI_on_P31644_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-MFHJVQXEYIWUCI_on_P34903_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-MFHJVQXEYIWUCI_on_P47869_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-MFHJVQXEYIWUCI_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269785,CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12,MFHJVQXEYIWUCI,MFHJVQXEYIWUCI-UHFFFAOYSA-N,"InChI=1S/C36H32N2O4/c1-35(2,3)41-33(39)23-11-15-31-27(19-23)25-17-21(9-13-29(25)37-31)7-8-22-10-14-30-26(18-22)28-20-24(12-16-32(28)38-30)34(40)42-36(4,5)6/h9-20,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,13,30,16,25,12,29,41,22,9,39,18,21,8,31,42,23,10,40,15,24,11,28,6,32,2,35,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCCNCCCCCCCCCCCCNCCCCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.398,5.398,0.0,0.0,1.0,5.398,0.0
-MFHNAXHSHOCFEC_on_O15399_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_O60391_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_Q05586_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_Q12879_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_Q13224_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFHNAXHSHOCFEC_on_Q14957_WT,Low,ChEMBL30,CHEMBL79616,N=C(N)N(c1ccccc1)c1ccccc1,MFHNAXHSHOCFEC,MFHNAXHSHOCFEC-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,5,11,2,1,3,4/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16NCNNCCCCCCCCCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763609,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MFKXQHNKPGJTDZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL228325,NCCCCNCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,MFKXQHNKPGJTDZ,MFKXQHNKPGJTDZ-UHFFFAOYSA-N,"InChI=1S/C26H37N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-15,28-29H,5-9,16-21,27H2,(H,30,32)","""AuxInfo=1/1/N:27,30,26,31,3,4,12,13,8,28,29,25,32,22,21,2,5,11,7,9,14,23,20,24,19,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;w?21;s22;s18d23;s24;d25;s26;s23d27;s20;d29;s30;s19d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.700;  6.470,6.585,0.115,0.115,2.0,6.585,0.115
-MFKXQHNKPGJTDZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL228325,NCCCCNCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,MFKXQHNKPGJTDZ,MFKXQHNKPGJTDZ-UHFFFAOYSA-N,"InChI=1S/C26H37N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-15,28-29H,5-9,16-21,27H2,(H,30,32)","""AuxInfo=1/1/N:27,30,26,31,3,4,12,13,8,28,29,25,32,22,21,2,5,11,7,9,14,23,20,24,19,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;w?21;s22;s18d23;s24;d25;s26;s23d27;s20;d29;s30;s19d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MFKXQHNKPGJTDZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL228325,NCCCCNCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2,MFKXQHNKPGJTDZ,MFKXQHNKPGJTDZ-UHFFFAOYSA-N,"InChI=1S/C26H37N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-15,28-29H,5-9,16-21,27H2,(H,30,32)","""AuxInfo=1/1/N:27,30,26,31,3,4,12,13,8,28,29,25,32,22,21,2,5,11,7,9,14,23,20,24,19,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;w?21;s22;s18d23;s24;d25;s26;s23d27;s20;d29;s30;s19d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-MFNVQXXBOMHUHH_on_O15399_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_O60391_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_Q05586_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_Q12879_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_Q13224_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVQXXBOMHUHH_on_Q14957_WT,Low,ChEMBL30,CHEMBL82246,N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12,MFNVQXXBOMHUHH,MFNVQXXBOMHUHH-UHFFFAOYSA-N,"InChI=1S/C23H19N3/c24-23(26-22-16-8-12-18-11-4-5-13-20(18)22)25-21-15-7-6-14-19(21)17-9-2-1-3-10-17/h1-16H,(H3,24,25,26)","""AuxInfo=1/1/N:13,12,14,23,24,7,6,19,11,15,22,20,25,8,5,18,10,21,9,26,4,17,2,1,3,16/E:(2,3)(9,10)/rA:26NCNCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s11;d12;s13;s10d14;s2;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MFNVTAZNELNQEZ_on_P41594_WT,High,ChEMBL30,CHEMBL3633945,CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12,MFNVTAZNELNQEZ,MFNVTAZNELNQEZ-UHFFFAOYSA-N,"InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,8,16,20,7,9,21,13,2,12,15,22,4,11,6,10,5,14/E:(1,2)(4,5)(7,8)/rA:22CCCCONCCCNNCCOCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12;s6s10d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.770;  5.770,5.77,0.0,0.0,2.0,5.77,0.0
-MFOIULKWCSQMSG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3908089,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)cc1C,MFOIULKWCSQMSG,MFOIULKWCSQMSG-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-14-11-17(5-6-20(14)26-4)22-24-21(18-12-15(2)23-16(3)13-18)19-7-9-27-10-8-25(19)22/h5-6,11-13H,7-10H2,1-4H3","""AuxInfo=1/0/N:27,13,16,1,5,4,19,23,20,22,25,11,17,26,12,15,6,10,18,3,9,7,14,8,24,2,21/E:(2,3)(12,13)(15,16)/rA:27COCCCCCNCCCCCNCCCCCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s7s18s23;s6;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-MFPGWSJTFPFEPH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936939,Cc1nc2c(cccc2)n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,MFPGWSJTFPFEPH,MFPGWSJTFPFEPH-UHFFFAOYSA-N,"InChI=1S/C25H19FN4O/c1-15-28-21-4-2-3-5-24(21)30(15)14-16-6-11-19-20(17-7-9-18(26)10-8-17)13-23(25(27)31)29-22(19)12-16/h2-13H,14H2,1H3,(H2,27,31)","""AuxInfo=1/1/N:1,8,7,9,6,13,18,23,19,22,14,31,24,11,2,12,17,20,15,16,4,30,25,5,26,21,27,3,29,10,28/E:(7,8)(9,10)/rA:31CCNCCCCCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;d16;s24;s25;s26;d26;d25;s15s29;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-MFPOBUPGRRBHDF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3973904,O=C(c1cncc(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,MFPOBUPGRRBHDF,MFPOBUPGRRBHDF-UHFFFAOYSA-N,"InChI=1S/C19H16F2N4O2/c20-14-2-1-3-18(7-14)27-12-16-8-17-11-24(4-5-25(17)23-16)19(26)13-6-15(21)10-22-9-13/h1-3,6-10H,4-5,11-12H2","""AuxInfo=1/0/N:23,22,24,11,12,9,19,25,4,6,27,16,3,20,7,15,26,18,2,21,8,5,14,10,13,1,17/rA:27OCCCNCCFCNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;s20;d20;s22;s18d23;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-MFRCOQXLJGTTAZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484178,CC1CN(Cc2cnc(OC(C)C3CCCCC3)cc2)C(=O)O1,MFRCOQXLJGTTAZ,MFRCOQXLJGTTAZ-UHFFFAOYSA-N,"InChI=1S/C18H26N2O3/c1-13-11-20(18(21)22-13)12-15-8-9-17(19-10-15)23-14(2)16-6-4-3-5-7-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3","""AuxInfo=1/0/N:1,12,16,15,17,14,18,20,19,7,3,5,2,11,6,13,9,21,8,4,22,23,10/E:(4,5)(6,7)/rA:23CCCNCCCNCOCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s11;s13;s14;s15;s16;s13s17;s9;s6d19;s4;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-MFVPSSXAOAFJQR_on_P41594_WT,High,ChEMBL30,CHEMBL2151486,Cc1cc(-c2noc(C3CN(C(=O)C4CCCC(C)C4)C3)n2)ccc1,MFVPSSXAOAFJQR,MFVPSSXAOAFJQR-UHFFFAOYSA-N,"InChI=1S/C20H25N3O2/c1-13-5-3-7-15(9-13)18-21-19(25-22-18)17-11-23(12-17)20(24)16-8-4-6-14(2)10-16/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3","""AuxInfo=1/0/N:1,19,24,16,25,17,23,15,3,20,10,21,2,18,4,14,9,5,8,12,22,6,11,13,7/E:(11,12)/rA:25CCCCCNOCCCNCOCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s14s18;s9s11;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-MFVXCYJFQJHNBS_on_P18507_WT,Low,ChEMBL30,CHEMBL192498,O=C(O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,MFVXCYJFQJHNBS,MFVXCYJFQJHNBS-UHFFFAOYSA-N,"InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)","""AuxInfo=1/1/N:17,22,18,21,13,14,10,5,16,19,11,8,4,7,15,2,20,12,9,23,6,1,3/E:(1,2)(3,4)(22,23)/rA:23OCOCCNCCClCCClCCCCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d7;s8;s8;d10;s11;s11;s7d13;s6;s15;d16;s17;d18;s19;s19;s16d21;s4d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-MFVXCYJFQJHNBS_on_P47869_WT,Low,ChEMBL30,CHEMBL192498,O=C(O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,MFVXCYJFQJHNBS,MFVXCYJFQJHNBS-UHFFFAOYSA-N,"InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)","""AuxInfo=1/1/N:17,22,18,21,13,14,10,5,16,19,11,8,4,7,15,2,20,12,9,23,6,1,3/E:(1,2)(3,4)(22,23)/rA:23OCOCCNCCClCCClCCCCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d7;s8;s8;d10;s11;s11;s7d13;s6;s15;d16;s17;d18;s19;s19;s16d21;s4d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-MFVXCYJFQJHNBS_on_P47870_WT,Low,ChEMBL30,CHEMBL192498,O=C(O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,MFVXCYJFQJHNBS,MFVXCYJFQJHNBS-UHFFFAOYSA-N,"InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)","""AuxInfo=1/1/N:17,22,18,21,13,14,10,5,16,19,11,8,4,7,15,2,20,12,9,23,6,1,3/E:(1,2)(3,4)(22,23)/rA:23OCOCCNCCClCCClCCCCCCCClCCN/rB:d1;s2;s2;d4;s5;s6;d7;s8;s8;d10;s11;s11;s7d13;s6;s15;d16;s17;d18;s19;s19;s16d21;s4d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-MFXGXPXWPPAHRO_on_P41594_WT,High,ChEMBL30,CHEMBL257322,CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(C(F)(F)F)c3)c2c1,MFXGXPXWPPAHRO,MFXGXPXWPPAHRO-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O2/c1-3-27-19(26)15-10-18-17(24-13(2)11-25(18)12-15)8-7-14-5-4-6-16(9-14)20(21,22)23/h4-6,9-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,17,19,15,14,25,27,9,7,10,16,6,20,13,26,4,21,22,23,24,12,8,5,3/E:(21,22,23)/rA:27CCOCOCCNCCCNCCCCCCCCCFFFCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s16d20;s8s13;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MFYLPPQKSKWOII_on_Q13224_WT,Medium,ChEMBL30,CHEMBL161421,N=C(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1,MFYLPPQKSKWOII,MFYLPPQKSKWOII-UHFFFAOYSA-N,"InChI=1S/C15H13F3N2O/c16-15(17,18)21-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,6,10,12,21,13,20,4,5,11,14,2,16,17,18,19,1,3,15/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:21NCNCCCCCCCCCCCOCFFFCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s15;s16;s16;s16;s14;s11d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  6.920;  7.340,7.13,0.21,0.21,2.0,7.13,0.21
-MFZNONRIQYSLMZ_on_P14867_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-MFZNONRIQYSLMZ_on_P18507_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960;  8.770;  8.400;  9.000,8.533,0.39399999999999996,0.22699999999999998,4.0,8.585,0.3
-MFZNONRIQYSLMZ_on_P28472_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770;  9.000;  8.400;  7.960,8.532,0.39399999999999996,0.22699999999999998,4.0,8.585,0.3
-MFZNONRIQYSLMZ_on_P31644_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-MFZNONRIQYSLMZ_on_P34903_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-MFZNONRIQYSLMZ_on_P47869_WT,Low,ChEMBL30,CHEMBL361786,Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C,MFZNONRIQYSLMZ,MFZNONRIQYSLMZ-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,26,28,25,29,3,4,7,2,30,27,24,13,6,22,23,12,21,9,5,19,20,10,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MGEOOXJKVNLVGV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115306,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)ccn1,MGEOOXJKVNLVGV,MGEOOXJKVNLVGV-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c1-12-9-14(5-7-26-12)19-18-6-8-29-13(2)11-28(18)20(27-19)15-3-4-17(22)16(10-15)21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,20,18,6,5,14,21,19,22,23,24,29,26,13,9/E:(23,24,25)/rA:29CCCCCCCCOCCCNCCCCCClCCFFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s21;s15d20;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-MGEYXYRIODCARZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL493568,Cc1nc(NC(=O)c2cc(C#N)c(-c3cccc(F)c3)cc2)ccc1,MGEYXYRIODCARZ,MGEYXYRIODCARZ-UHFFFAOYSA-N,"InChI=1S/C20H14FN3O/c1-13-4-2-7-19(23-13)24-20(25)15-8-9-18(16(10-15)12-22)14-5-3-6-17(21)11-14/h2-11H,1H3,(H,23,24,25)","""AuxInfo=1/1/N:1,24,16,25,15,17,23,22,21,9,20,11,2,14,8,10,18,13,4,6,19,12,3,5,7/rA:25CCNCNCOCCCCNCCCCCCFCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;t11;d10;s13;d14;s15;d16;s17;s18;s14d18;s13;s8d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-MGFFJJLNQYUYTE_on_P41594_WT,High,ChEMBL30,CHEMBL2431419,CN1CCOc2c1ccc(-c1cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n1)c2,MGFFJJLNQYUYTE,MGFFJJLNQYUYTE-UHFFFAOYSA-N,"InChI=1S/C28H29N7O2/c1-32-16-17-37-25-18-22(8-9-24(25)32)23-19-35(27(31-23)21-6-3-2-4-7-21)20-26(36)33-12-14-34(15-13-33)28-29-10-5-11-30-28/h2-11,18-19H,12-17,20H2,1H3","""AuxInfo=1/0/N:1,33,32,34,24,31,35,9,8,23,25,18,28,19,27,3,4,37,12,14,30,10,11,7,6,15,29,21,22,26,36,2,17,20,13,16,5/E:(3,4)(6,7)(10,11)(12,13)(14,15)(29,30)/rA:37CNCCOCCCCCCCNCCONCCNCNCCCNCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;d11;s12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s20;s17s27;s13;s29;d30;s31;d32;s33;s30d34;s11d29;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-MGHYWCJBCCFMNB_on_Q14416_WT,High,ChEMBL30,CHEMBL3919807,Fc1c(C2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cccc1,MGHYWCJBCCFMNB,MGHYWCJBCCFMNB-UHFFFAOYSA-N,"InChI=1S/C23H24F4N4/c24-19-4-2-1-3-18(19)16-7-10-30(11-8-16)14-17-9-12-31-20(13-15-5-6-15)28-29-22(31)21(17)23(25,26)27/h1-4,9,12,15-16H,5-8,10-11,13-14H2","""AuxInfo=1/0/N:29,30,28,31,21,22,5,27,25,6,26,24,19,8,20,4,9,3,2,18,10,15,11,1,12,13,14,17,16,7,23/E:(5,6)(7,8)(10,11)(25,26,27)/rA:31FCCCCCNCCCCFFFCNNCCCCCNCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s9d24;s7;s4s26;s3;d28;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-MGKRPTJDOYYMDJ_on_P41594_WT,High,ChEMBL30,CHEMBL257436,Cc1cn2cc(C(=O)N3C(C)CCC3C)cc2c(C#Cc2cscc2)n1,MGKRPTJDOYYMDJ,MGKRPTJDOYYMDJ-UHFFFAOYSA-N,"InChI=1S/C21H21N3OS/c1-14-11-23-12-18(21(25)24-15(2)4-5-16(24)3)10-20(23)19(22-14)7-6-17-8-9-26-13-17/h8-13,15-16H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,11,15,12,13,20,19,25,24,16,3,5,22,2,10,14,21,6,18,17,7,26,4,9,8,23/E:(2,3)(4,5)(15,16)/rA:26CCCNCCCONCCCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s12;s9s13;s14;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MGVMCBAQXDZWTN_on_P14867_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-MGVMCBAQXDZWTN_on_P18507_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL677034;CHEMBL680432;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240;  6.550;  7.340;  8.170,7.325,0.575,0.332,4.0,7.29,0.395
-MGVMCBAQXDZWTN_on_P28472_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.170;  6.550;  7.240;  7.340,7.325,0.575,0.332,4.0,7.29,0.395
-MGVMCBAQXDZWTN_on_P31644_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-MGVMCBAQXDZWTN_on_P34903_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-MGVMCBAQXDZWTN_on_P47869_WT,Low,ChEMBL30,CHEMBL123530,Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1,MGVMCBAQXDZWTN,MGVMCBAQXDZWTN-UHFFFAOYSA-N,"InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,28,25,29,7,14,2,16,27,24,6,13,22,23,12,21,9,30,18,19,20,10,11,15,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCCOCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MGXXZMYWNWCFKA_on_Q14416_WT,High,ChEMBL30,CHEMBL3909995,CCCc1c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)ccc(C(C)=O)c1O,MGXXZMYWNWCFKA,MGXXZMYWNWCFKA-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-5-20-21(9-8-19(15(2)30)23(20)31)32-14-16-6-4-7-18(12-16)33-22-13-17(10-11-25-22)24-26-28-29-27-24/h4,6-13,31H,3,5,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,10,3,9,11,27,26,17,16,25,24,7,29,8,18,12,28,4,5,14,32,19,15,20,23,21,22,31,33,6,13/E:(26,27)(28,29)/rA:33CCCCCOCCCCCCOCNCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s18;d19;s20;s21;s19d22;s14d18;s8d12;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MGYAMTJNJZZLMV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44409846;CHEMBL202908,N#Cc1cc(Cl)nc(OCc2cc(Cl)ccc2)c1,MGYAMTJNJZZLMV,MGYAMTJNJZZLMV-UHFFFAOYSA-N,"InChI=1S/C13H8Cl2N2O/c14-11-3-1-2-9(4-11)8-18-13-6-10(7-16)5-12(15)17-13/h1-6H,8H2","""AuxInfo=1/0/N:16,17,15,12,4,18,2,10,11,3,13,5,8,14,6,1,7,9/rA:18NCCCCClNCOCCCCClCCCC/rB:t1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  8.301;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-MGZAYXLHYDPOOC_on_O00222_WT,High,ExCAPE-DB,73058498,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,MGZAYXLHYDPOOC,MGZAYXLHYDPOOC-UHFFFAOYSA-N,"InChI=1S/C24H25NO4S/c1-16-13-22(23(26)15-30-14-18-5-11-21(28-3)12-6-18)17(2)25(16)20-9-7-19(8-10-20)24(27)29-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:11,28,24,1,20,26,6,30,7,29,21,25,12,18,16,10,27,19,5,8,22,13,14,3,9,15,4,23,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:30COCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s23;s22;s19d25;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.796,5.796,0.0,0.0,1.0,5.796,0.0
-MGZAYXLHYDPOOC_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560239,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,MGZAYXLHYDPOOC,MGZAYXLHYDPOOC-UHFFFAOYSA-N,"InChI=1S/C24H25NO4S/c1-16-13-22(23(26)15-30-14-18-5-11-21(28-3)12-6-18)17(2)25(16)20-9-7-19(8-10-20)24(27)29-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:11,28,24,1,20,26,6,30,7,29,21,25,12,18,16,10,27,19,5,8,22,13,14,3,9,15,4,23,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:30COCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s23;s22;s19d25;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MGZAYXLHYDPOOC_on_Q14833_WT,High,ExCAPE-DB,73058498,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,MGZAYXLHYDPOOC,MGZAYXLHYDPOOC-UHFFFAOYSA-N,"InChI=1S/C24H25NO4S/c1-16-13-22(23(26)15-30-14-18-5-11-21(28-3)12-6-18)17(2)25(16)20-9-7-19(8-10-20)24(27)29-4/h5-13H,14-15H2,1-4H3","""AuxInfo=1/0/N:11,28,24,1,20,26,6,30,7,29,21,25,12,18,16,10,27,19,5,8,22,13,14,3,9,15,4,23,2,17/E:(5,6)(7,8)(9,10)(11,12)/rA:30COCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s23;s22;s19d25;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MGZNSZXDBMFBNG_on_P41594_WT,Medium,ChEMBL30,CHEMBL365200,Cc1noc(C)c1-c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1,MGZNSZXDBMFBNG,MGZNSZXDBMFBNG-UHFFFAOYSA-N,"InChI=1S/C17H13FN6O/c1-10-16(11(2)25-22-10)12-7-13(18)9-14(8-12)24-21-17(20-23-24)15-5-3-4-6-19-15/h3-9H,1-2H3","""AuxInfo=1/0/N:1,6,22,21,23,20,9,25,12,2,5,8,10,13,18,7,17,11,19,16,24,3,15,14,4/rA:25CCNOCCCCCCFCCNNNCCNCCCCNC/rB:s1;d2;s3;s4;s5;s2d5;s7;d8;s9;s10;d10;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s14d17;s8d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-MGZWLXSSVYYBCV_on_O00222_WT,High,ExCAPE-DB,2111906,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccccc3F)c(C)c2)cc1,MGZWLXSSVYYBCV,MGZWLXSSVYYBCV-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2S/c1-14-12-19(15(2)25(14)21-7-5-4-6-20(21)23)22(27)13-28-18-10-8-17(9-11-18)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:25,15,1,20,19,21,18,6,28,7,27,26,10,24,14,2,5,8,13,22,17,11,23,4,16,3,12,9/E:(8,9)(10,11)/rA:28CCONCCCCSCCOCCCNCCCCCCFCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s17d21;s22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MGZWLXSSVYYBCV_on_Q14831_WT,Low,ChEMBL30,CHEMBL1587534,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3c(F)cccc3)c(C)c2)cc1,MGZWLXSSVYYBCV,MGZWLXSSVYYBCV-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2S/c1-14-12-19(15(2)25(14)21-7-5-4-6-20(21)23)22(27)13-28-18-10-8-17(9-11-18)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:25,15,1,21,22,20,23,6,28,7,27,26,10,24,14,2,5,8,13,18,17,11,19,4,16,3,12,9/E:(8,9)(10,11)/rA:28CCONCCCCSCCOCCCNCCFCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;s18;d20;s21;s17d22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-MHCSEEMETVIDGF_on_P41594_WT,High,ChEMBL30,CHEMBL2365403,CC1CC1C(=O)Nc1c(-c2cccc(C3CCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,MHCSEEMETVIDGF,MHCSEEMETVIDGF-UHFFFAOYSA-N,"InChI=1S/C25H25N5OS/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31)","""AuxInfo=1/1/N:1,26,17,12,16,18,13,11,30,29,3,22,24,2,15,21,23,4,14,28,10,9,20,5,8,19,7,27,31,25,6,32/E:(5,6)/rA:32CCCCCONCCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;s15s17;s10d14;s9;s20;d21;s22;d23;s24;s25;s25;s23d27;s28;s21d29;d20;s8s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-MHCSEEMETVIDGF_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67103353;CHEMBL2365403,CC1CC1C(=O)Nc1c(-c2cccc(C3CCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,MHCSEEMETVIDGF,MHCSEEMETVIDGF-UHFFFAOYSA-N,"InChI=1S/C25H25N5OS/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31)","""AuxInfo=1/1/N:1,26,17,12,16,18,13,11,30,29,3,22,24,2,15,21,23,4,14,28,10,9,20,5,8,19,7,27,31,25,6,32/E:(5,6)/rA:32CCCCCONCCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;s15s17;s10d14;s9;s20;d21;s22;d23;s24;s25;s25;s23d27;s28;s21d29;d20;s8s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  6.163;  6.160,6.162000000000001,0.002,0.002,2.0,6.162000000000001,0.002
-MHGBARKTAMRHHC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215120;44416372,Cc1ncc(OCC#Cc2cccc(C)n2)cc1,MHGBARKTAMRHHC,MHGBARKTAMRHHC-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-12-8-9-15(11-16-12)18-10-4-7-14-6-3-5-13(2)17-14/h3,5-6,8-9,11H,10H2,1-2H3","""AuxInfo=1/0/N:1,15,12,8,13,11,9,18,17,7,4,2,14,10,5,3,16,6/rA:18CCNCCOCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  5.600;  5.604,5.602,0.002,0.002,2.0,5.602,0.002
-MHGNPCZGYOTMGN_on_Q14416_WT,High,ChEMBL30,CHEMBL4069251,NC1(C(=O)O)CC(NC(=O)CCc2ccccc2)C2C(C(=O)O)C21,MHGNPCZGYOTMGN,MHGNPCZGYOTMGN-UHFFFAOYSA-N,"InChI=1S/C17H20N2O5/c18-17(16(23)24)8-10(12-13(14(12)17)15(21)22)19-11(20)7-6-9-4-2-1-3-5-9/h1-5,10,12-14H,6-8,18H2,(H,19,20)(H,21,22)(H,23,24)","""AuxInfo=1/1/N:16,15,17,14,18,12,11,6,13,7,9,19,20,24,21,3,2,1,8,10,22,23,4,5/E:(2,3)(4,5)(21,22)(23,24)/rA:24NCCOOCCNCOCCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s7;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023222;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0;1;0,0;0;1,0,1;0;0,0,,=,  6.220;  5.260;  6.050,5.843,0.418,0.29600000000000004,3.0,6.05,0.17
-MHGNPCZGYOTMGN_on_Q14832_WT,High,ChEMBL30,CHEMBL4069251,NC1(C(=O)O)CC(NC(=O)CCc2ccccc2)C2C(C(=O)O)C21,MHGNPCZGYOTMGN,MHGNPCZGYOTMGN-UHFFFAOYSA-N,"InChI=1S/C17H20N2O5/c18-17(16(23)24)8-10(12-13(14(12)17)15(21)22)19-11(20)7-6-9-4-2-1-3-5-9/h1-5,10,12-14H,6-8,18H2,(H,19,20)(H,21,22)(H,23,24)","""AuxInfo=1/1/N:16,15,17,14,18,12,11,6,13,7,9,19,20,24,21,3,2,1,8,10,22,23,4,5/E:(2,3)(4,5)(21,22)(23,24)/rA:24NCCOOCCNCOCCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s7;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023226;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,1;0,0,0,0;1,0,,=,  5.690;  6.550,6.12,0.43,0.43,2.0,6.12,0.43
-MHKSCGLYAXDKGL_on_P31644_WT,High,ChEMBL30,CHEMBL3681534,Cc1c(COc2ccc(C(=O)Nc3cn(C)nc3)cn2)c(-c2ccccc2)no1,MHKSCGLYAXDKGL,MHKSCGLYAXDKGL-UHFFFAOYSA-N,"InChI=1S/C21H19N5O3/c1-14-18(20(25-29-14)15-6-4-3-5-7-15)13-28-19-9-8-16(10-22-19)21(27)24-17-11-23-26(2)12-17/h3-12H,13H2,1-2H3,(H,24,27)","""AuxInfo=1/1/N:1,16,25,24,26,23,27,8,7,19,18,14,4,2,22,9,13,3,6,21,10,20,17,12,28,15,11,5,29/E:(4,5)(6,7)/rA:29CCCCOCCCCCONCCNCNCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;s15;s15;s13d17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-MHNVIGLBIPNJGZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672440;24785482,CCCn1c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)nc(C)c1C,MHNVIGLBIPNJGZ,MHNVIGLBIPNJGZ-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N4/c1-4-9-25-13(3)12(2)23-19(25)14-10-17(21)18(22-11-14)24-16-7-5-15(20)6-8-16/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:1,23,25,2,14,17,13,18,3,7,20,22,24,6,15,12,8,10,5,16,9,19,21,11,4/E:(5,6)(7,8)/rA:25CCCNCCCCClCNCCCCClCCNCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s22;s4d22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466;PubChemAID:570020,PMID:24900255,2011.0,PMID:24900255;PubChemAID:570020,2011,1;0,0,0,0,0;1,,=,  6.600;  6.602,6.601,0.001,0.001,2.0,6.601,0.001
-MHQIJSLQCVQJAA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114374,Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)c1,MHQIJSLQCVQJAA,MHQIJSLQCVQJAA-UHFFFAOYSA-N,"InChI=1S/C21H21F3N4O2S/c1-11-5-18(31-27-11)15-7-17(20(25)29)26-16-6-13(3-4-14(15)16)9-28-8-12(2)30-19(10-28)21(22,23)24/h3-7,12,19H,8-10H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:1,20,28,29,31,14,7,18,16,27,2,19,15,30,6,13,8,5,22,9,23,24,25,26,10,12,3,17,11,21,4/E:(22,23,24)/rA:31CCNSCCCCCNONCCCCNCCCOCCFFFCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d9;d8;s12;d13;s14;s15;s16;s17;s18;s19;s19;s21;s22;s23;s23;s23;s17s22;d15;s28;s6s13d29;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-MHQJUEQRWCKJRG_on_O15399_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_O60391_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_Q05586_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_Q12879_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_Q13224_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQJUEQRWCKJRG_on_Q14957_WT,Low,ChEMBL30,CHEMBL168273,Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1,MHQJUEQRWCKJRG,MHQJUEQRWCKJRG-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,12,11,13,10,7,6,18,3,14,2,8,9,16,4,17,15,5/rA:18CCCCNCCCCCCCCCNCNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-MHQXHRTWLNONSD_on_P41594_WT,High,ChEMBL30,CHEMBL1808876,Cc1c(C2CCCN2C(=O)c2ccncn2)cnc(-c2cc(Cl)ccc2)c1,MHQXHRTWLNONSD,MHQXHRTWLNONSD-UHFFFAOYSA-N,"InChI=1S/C21H19ClN4O/c1-14-10-19(15-4-2-5-16(22)11-15)24-12-17(14)20-6-3-9-26(20)21(27)18-7-8-23-13-25-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3","""AuxInfo=1/0/N:1,25,6,26,24,5,12,13,7,27,21,17,15,2,20,22,3,11,19,4,9,23,14,18,16,8,10/rA:27CCCCCCCNCOCCCNCNCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  6.750;  7.080,6.915,0.165,0.165,2.0,6.915,0.165
-MHUVJXWNTMCNIW_on_P41594_WT,Low,ChEMBL30,CHEMBL59920,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cc(Cl)cc2)C1,MHUVJXWNTMCNIW,MHUVJXWNTMCNIW-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-7(9(15)3-8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:20,19,16,6,12,21,13,17,14,7,8,3,2,18,15,1,11,9,10,4,5/E:(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MHUVJXWNTMCNIW_on_Q13255_WT,Low,ChEMBL30,CHEMBL59920,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cc(Cl)cc2)C1,MHUVJXWNTMCNIW,MHUVJXWNTMCNIW-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-7(9(15)3-8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:20,19,16,6,12,21,13,17,14,7,8,3,2,18,15,1,11,9,10,4,5/E:(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MHUVJXWNTMCNIW_on_Q14416_WT,Low,ChEMBL30,CHEMBL59920,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cc(Cl)cc2)C1,MHUVJXWNTMCNIW,MHUVJXWNTMCNIW-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-7(9(15)3-8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:20,19,16,6,12,21,13,17,14,7,8,3,2,18,15,1,11,9,10,4,5/E:(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s17;s13d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MHUYKAHDYKUKEA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107266,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)c1,MHUYKAHDYKUKEA,MHUYKAHDYKUKEA-UHFFFAOYSA-N,"InChI=1S/C24H25ClFN3O2/c1-14-9-17(10-18(12-26)27-14)23-21-7-8-30-15(2)13-29(21)24(28-23)16-3-6-22(20(25)11-16)31-19-4-5-19/h3,6,9-11,15,19H,4-5,7-8,12-13H2,1-2H3","""AuxInfo=1/0/N:1,15,20,25,26,21,11,12,31,7,29,5,16,2,14,19,8,4,24,27,10,22,9,18,28,6,3,30,17,13,23/E:(4,5)/rA:31CCNCCFCCCCCCOCCCNCCCCCOCCCCClCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24s25;s22;s27;s19d27;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-MHVBIDYSCZQVSY_on_P14867_WT,Low,ChEMBL30,CHEMBL55570,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1,MHVBIDYSCZQVSY,MHVBIDYSCZQVSY-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,25,26,5,29,4,30,10,14,11,13,28,6,9,24,3,7,19,8,20,23,17,12,27,21,15,18,2,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNOCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s24;s24s25;s20d23;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-MHVBIDYSCZQVSY_on_P18507_WT,Low,ChEMBL30,CHEMBL55570,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1,MHVBIDYSCZQVSY,MHVBIDYSCZQVSY-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,25,26,5,29,4,30,10,14,11,13,28,6,9,24,3,7,19,8,20,23,17,12,27,21,15,18,2,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNOCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s24;s24s25;s20d23;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681249;CHEMBL681637;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.620;  6.510;  7.220,6.7829999999999995,0.312,0.221,3.0,6.62,0.11
-MHVBIDYSCZQVSY_on_P28472_WT,Low,ChEMBL30,CHEMBL55570,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1,MHVBIDYSCZQVSY,MHVBIDYSCZQVSY-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,25,26,5,29,4,30,10,14,11,13,28,6,9,24,3,7,19,8,20,23,17,12,27,21,15,18,2,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNOCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s24;s24s25;s20d23;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.510;  6.620;  7.220,6.7829999999999995,0.312,0.221,3.0,6.62,0.11
-MHVBIDYSCZQVSY_on_P34903_WT,Low,ChEMBL30,CHEMBL55570,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1,MHVBIDYSCZQVSY,MHVBIDYSCZQVSY-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,25,26,5,29,4,30,10,14,11,13,28,6,9,24,3,7,19,8,20,23,17,12,27,21,15,18,2,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNOCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s24;s24s25;s20d23;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-MHVBIDYSCZQVSY_on_P47869_WT,Low,ChEMBL30,CHEMBL55570,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1,MHVBIDYSCZQVSY,MHVBIDYSCZQVSY-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3","""AuxInfo=1/0/N:16,1,25,26,5,29,4,30,10,14,11,13,28,6,9,24,3,7,19,8,20,23,17,12,27,21,15,18,2,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30COCCCCCCCCCNCCNCCOCCNOCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;s23;s24;s24s25;s20d23;s7d19;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-MHXZYFIYAZIPTD_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647547,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1,MHXZYFIYAZIPTD,MHXZYFIYAZIPTD-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O2S/c1-4-30(28,29)17-8-5-15(6-9-17)18-11-16(7-10-20(18)23)19-12-25-26-22-21(19)24-13-27(22)14(2)3/h5-14H,4H2,1-3H3","""AuxInfo=1/0/N:1,23,24,2,8,29,25,7,30,26,11,14,20,22,9,12,6,10,13,27,18,17,28,19,15,16,21,4,5,3/E:(2,3)(5,6)(8,9)(28,29)/CRV:30.6/rA:30CCSOOCCCCCCCCCNNCCNCNCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-MIAIMIAKGNNYDJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676438,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(C2CCC(F)CN2)no1,MIAIMIAKGNNYDJ,MIAIMIAKGNNYDJ-UHFFFAOYSA-N,"InChI=1S/C20H27FN4O4/c1-12-15(18(25-29-12)16-6-5-14(21)9-22-16)10-28-17-7-4-13(8-23-17)19(27)24-20(2,3)11-26/h4,7-8,14,16,22,26H,5-6,9-11H2,1-3H3,(H,24,27)","""AuxInfo=1/1/N:1,14,15,8,23,22,7,18,26,4,16,2,9,24,3,21,6,20,10,13,25,27,19,12,28,17,11,5,29/E:(2,3)/rA:29CCCCOCCCCCONCCCCOCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;s21;s22;s23;s24;s24;s21s26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-MIASBVBBECLAKG_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182668;11546303,CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2cnccc2)cc1,MIASBVBBECLAKG,MIASBVBBECLAKG-UHFFFAOYSA-N,"InChI=1S/C20H24BrNO4/c1-14(2)12-17(23)16-7-8-18(19(21)20(16)24)26-11-4-3-10-25-15-6-5-9-22-13-15/h5-9,13-14,24H,3-4,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,23,24,26,25,22,17,14,4,20,2,19,7,5,12,10,8,11,21,6,9,18,13/E:(1,2)/rA:26CCCCCOCCOCBrCOCCCCOCCNCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s8;s10;d10;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  6.240;  6.240,6.24,0.0,0.0,2.0,6.24,0.0
-MIFIGKKOLBGYQV_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797897,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12,MIFIGKKOLBGYQV,MIFIGKKOLBGYQV-UHFFFAOYSA-N,"InChI=1S/C18H18F3N5O2S/c1-3-22-16(28)15-9(2)29-17-23-11(6-14(27)26(15)17)8-25-12(10-4-5-10)7-13(24-25)18(19,20)21/h6-7,10H,3-5,8H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,8,2,24,25,26,21,13,7,23,12,22,16,27,6,4,10,17,18,19,20,3,11,15,14,29,28,5,9/E:(4,5)(19,20,21)/rA:29CCNCOCCCSCNCCNNCCFFFCCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s23s24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-MIFIGKKOLBGYQV_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797897,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12,MIFIGKKOLBGYQV,MIFIGKKOLBGYQV-UHFFFAOYSA-N,"InChI=1S/C18H18F3N5O2S/c1-3-22-16(28)15-9(2)29-17-23-11(6-14(27)26(15)17)8-25-12(10-4-5-10)7-13(24-25)18(19,20)21/h6-7,10H,3-5,8H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,8,2,24,25,26,21,13,7,23,12,22,16,27,6,4,10,17,18,19,20,3,11,15,14,29,28,5,9/E:(4,5)(19,20,21)/rA:29CCNCOCCCSCNCCNNCCFFFCCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s23s24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-MIGAQFMVKWULPG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3928811,O=C(Nc1cn(S(=O)(=O)c2c(Cl)cc(F)c(F)c2)nc1)c1ccccn1,MIGAQFMVKWULPG,MIGAQFMVKWULPG-UHFFFAOYSA-N,"InChI=1S/C15H9ClF2N4O3S/c16-10-5-11(17)12(18)6-14(10)26(24,25)22-8-9(7-20-22)21-15(23)13-3-1-2-4-19-13/h1-8H,(H,21,23)","""AuxInfo=1/1/N:23,24,22,25,13,18,20,5,4,11,14,16,21,10,2,12,15,17,26,19,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCCClCCFCFCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s11;d13;s14;s14;s16;s10d16;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-MIHOPTCNVPPWSH_on_Q13255_WT,High,ChEMBL30,CHEMBL235767,CSc1nc2c(cnc3c2c2c(s3)c(=O)n(-c3ccc(C)cc3)cn2)s1,MIHOPTCNVPPWSH,MIHOPTCNVPPWSH-UHFFFAOYSA-N,"InChI=1S/C18H12N4OS3/c1-9-3-5-10(6-4-9)22-8-20-14-12-13-11(25-18(21-13)24-2)7-19-16(12)26-15(14)17(22)23/h3-8H,1-2H3","""AuxInfo=1/0/N:21,1,19,22,18,23,7,24,20,17,6,10,5,11,12,9,14,3,8,25,4,16,15,2,26,13/E:(3,4)(5,6)/rA:26CSCNCCCNCCCCSCONCCCCCCCCNS/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-MIIJMODVRMTWJP_on_Q05586_WT,Medium,ChEMBL30,CHEMBL19636,Oc1nc2c(ccc(C#CCN3CCC(Cc4cc(F)ccc4)CC3)c2)[nH]1,MIIJMODVRMTWJP,MIIJMODVRMTWJP-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)","""AuxInfo=1/1/N:22,10,23,9,21,7,6,14,24,11,13,25,16,18,26,8,15,17,19,5,4,2,20,27,3,12,1/E:(8,9)(11,12)/rA:27OCNCCCCCCCCNCCCCCCCFCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s15;s12s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-MIIYQQFUHBXFKC_on_P41594_WT,High,ChEMBL30,CHEMBL194246,C(#Cc1ncccc1)C1=CC(Oc2ccncc2)CCC1,MIIYQQFUHBXFKC,MIIYQQFUHBXFKC-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2","""AuxInfo=1/0/N:7,6,20,21,8,19,1,2,14,18,5,15,17,10,9,3,13,11,16,4,12/E:(9,10)(12,13)/rA:21CCCNCCCCCCCOCCCNCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-MIOXQGMSPSEKCA_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830698;46700737,c1cnc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cc1,MIOXQGMSPSEKCA,MIOXQGMSPSEKCA-UHFFFAOYSA-N,"InChI=1S/C13H11N5S/c1-2-6-14-11(3-1)16-13-17-12-8-7-15-18-9(8)4-5-10(12)19-13/h1-3,6-7H,4-5H2,(H,15,18)(H,14,16,17)","""AuxInfo=1/1/N:19,1,18,11,10,2,15,16,12,9,4,8,6,3,14,5,7,13,17/rA:19CCNCNCNCCCCCNNCCSCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s8s12d15;s6s9;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  6.660;  6.658,6.659,0.001,0.001,2.0,6.659,0.001
-MIPWAABDGPOHJQ_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,44191178;CHEMBL561835,COc1cc(NC(=O)c2ccccn2)ccc1C,MIPWAABDGPOHJQ,MIPWAABDGPOHJQ-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2/c1-10-6-7-11(9-13(10)18-2)16-14(17)12-5-3-4-8-15-12/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:18,1,11,12,10,16,15,13,4,17,5,9,3,7,14,6,8,2/rA:18COCCCNCOCCCCCNCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2180;CHEMBL1034756,PMID:19469556,2009.0,PubChemAID:2180;PMID:19469556,2009,0,0;1,0,0,1;0,,=, 12.193;  6.250,9.221,2.971,2.971,2.0,9.221,2.971
-MIQNXKWDQRNHAU_on_Q14833_WT,High,ChEMBL30,CHEMBL3609729,Cc1ccnc(Nc2nc(-c3c[nH]nc3)c(C)s2)n1,MIQNXKWDQRNHAU,MIQNXKWDQRNHAU-UHFFFAOYSA-N,"InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)","""AuxInfo=1/1/N:1,17,3,4,12,15,2,16,11,10,6,8,5,13,14,19,9,7,18/E:(5,6)(14,15)/rA:19CCCCNCNCNCCCNNCCCSN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;s13;s11d14;d10;s16;s8s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4140822;CHEMBL3610660,PMID:26231155,2015.0,PMID:29057060;PMID:26231155,2017;2015,0,1,0,0,0,,=,  7.280;  8.400,7.84,0.56,0.56,2.0,7.84,0.56
-MIQXSZAZACCLPN_on_P18507_WT,Low,ChEMBL30,CHEMBL565720,C#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,MIQXSZAZACCLPN,MIQXSZAZACCLPN-UHFFFAOYSA-N,"InChI=1S/C14H8ClN5/c1-2-9-3-4-11-10(5-9)14-18-17-8-19(14)6-12-13(15)16-7-20(11)12/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,8,7,4,15,10,17,3,5,6,14,12,20,13,11,18,19,16,9/rA:20CCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-MIQXSZAZACCLPN_on_P28472_WT,Low,ChEMBL30,CHEMBL565720,C#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,MIQXSZAZACCLPN,MIQXSZAZACCLPN-UHFFFAOYSA-N,"InChI=1S/C14H8ClN5/c1-2-9-3-4-11-10(5-9)14-18-17-8-19(14)6-12-13(15)16-7-20(11)12/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,8,7,4,15,10,17,3,5,6,14,12,20,13,11,18,19,16,9/rA:20CCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-MIQXSZAZACCLPN_on_P31644_WT,Low,ChEMBL30,CHEMBL565720,C#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21,MIQXSZAZACCLPN,MIQXSZAZACCLPN-UHFFFAOYSA-N,"InChI=1S/C14H8ClN5/c1-2-9-3-4-11-10(5-9)14-18-17-8-19(14)6-12-13(15)16-7-20(11)12/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,8,7,4,15,10,17,3,5,6,14,12,20,13,11,18,19,16,9/rA:20CCCCCCCCNCNCClCCNCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-MISUSIPEYUVPBR_on_P31644_WT,High,ChEMBL30,CHEMBL3676485,Cc1c(COc2ccc(C(=O)NC3CCS(=O)(=O)CC3)cn2)c(-c2ccccc2)no1,MISUSIPEYUVPBR,MISUSIPEYUVPBR-UHFFFAOYSA-N,"InChI=1S/C22H23N3O5S/c1-15-19(21(25-30-15)16-5-3-2-4-6-16)14-29-20-8-7-17(13-23-20)22(26)24-18-9-11-31(27,28)12-10-18/h2-8,13,18H,9-12,14H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,27,26,28,25,29,8,7,14,20,15,19,21,4,2,24,9,13,3,6,23,10,22,12,30,11,17,18,5,31,16/E:(3,4)(5,6)(9,10)(11,12)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCCSOOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;d16;s16;s13s19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.310,8.31,0.0,0.0,1.0,8.31,0.0
-MITKFNVRPAFJDS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71561317;CHEMBL2338561,O=C(NC1CCCC(C(=O)Nc2ccccn2)C1)c1cc(Cl)ccc1,MITKFNVRPAFJDS,MITKFNVRPAFJDS-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-3,5,7,9-11,14,16H,4,6,8,12H2,(H,22,24)(H,21,23,25)","""AuxInfo=1/1/N:14,15,24,6,25,7,23,5,13,16,20,18,19,8,21,4,12,2,9,22,17,3,11,1,10/rA:25OCNCCCCCCONCCCCCNCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s4s8;s2;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:729738;CHEMBL2343304,PMID:23357634,2013.0,PubChemAID:729738;PMID:23357634,2013,0;1,0,0,0,1;0,,=,  5.301;  5.300,5.3,0.0,0.0,2.0,5.3,0.001
-MIYKVJXPSQOUTN_on_P41594_WT,High,ChEMBL30,CHEMBL3655654,CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1,MIYKVJXPSQOUTN,MIYKVJXPSQOUTN-UHFFFAOYSA-N,"InChI=1S/C17H14ClN5O/c1-23(16-9-20-11-21-10-16)15-6-14(7-19-8-15)22-17(24)12-3-2-4-13(18)5-12/h2-11H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,18,20,23,24,12,10,4,8,6,17,21,13,9,3,15,22,11,5,7,14,2,16/E:(9,10)(20,21)/rA:24CNCCNCNCCCNCCNCOCCCCCClCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-MJDLYRJRCRLNGE_on_Q14416_WT,High,ChEMBL30,CHEMBL1774101,COc1ccccc1C1CCN(Cc2nc3c(cccc3)n2C)CC1,MJDLYRJRCRLNGE,MJDLYRJRCRLNGE-UHFFFAOYSA-N,"InChI=1S/C21H25N3O/c1-23-19-9-5-4-8-18(19)22-21(23)15-24-13-11-16(12-14-24)17-7-3-6-10-20(17)25-2/h3-10,16H,11-15H2,1-2H3","""AuxInfo=1/0/N:23,1,6,20,19,5,7,21,18,4,10,25,11,24,13,9,8,16,17,3,14,15,22,12,2/E:(11,12)(13,14)/rA:25COCCCCCCCCCNCCNCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s22;s12;s9s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4722649,PMID:31780081,2020.0,PMID:31780081,2020,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-MJEBFQNRQDMUCQ_on_P41594_WT,Low,ChEMBL30,CHEMBL2011880,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(O)cc1,MJEBFQNRQDMUCQ,MJEBFQNRQDMUCQ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2S/c1-8-7-12(8)14(19)16-15-9(2)13(17-20-15)10-3-5-11(18)6-4-10/h3-6,8,12,18H,7H2,1-2H3,(H,16,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,4,12,18,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCOCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-MJEBFQNRQDMUCQ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2011880;67179845,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(O)cc1,MJEBFQNRQDMUCQ,MJEBFQNRQDMUCQ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2S/c1-8-7-12(8)14(19)16-15-9(2)13(17-20-15)10-3-5-11(18)6-4-10/h3-6,8,12,18H,7H2,1-2H3,(H,16,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,4,12,18,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCOCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180;PubChemAID:652689,PMID:22386665,2012.0,PMID:22386665;PubChemAID:652689,2012;2013,1;0,0,0,0,0;1,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-MJGIIYBLRIBHES_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546040;CHEMBL3087505,Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=NC#N)N(C)C)ccc1,MJGIIYBLRIBHES,MJGIIYBLRIBHES-UHFFFAOYSA-N,"InChI=1S/C20H24N4O/c1-15-5-4-6-16(11-15)9-10-20(25)12-17-7-8-18(13-20)24(17)19(22-14-21)23(2)3/h4-6,11,17-18,25H,7-8,12-13H2,1-3H3","""AuxInfo=1/0/N:1,21,22,24,25,23,11,12,5,6,3,9,14,18,2,4,10,13,16,7,19,17,20,15,8/E:(2,3)(7,8)(12,13)(17,18)/rA:25CCCCCCCOCCCCCCNCNCNNCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;w?16;s17;t18;s16;s20;s20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.775;  6.780,6.777,0.003,0.003,2.0,6.777,0.002
-MJKZXULVVQVVJH_on_P41594_WT,High,ChEMBL30,CHEMBL271216,Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cccc(F)c2)n1,MJKZXULVVQVVJH,MJKZXULVVQVVJH-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O/c1-16-14-27-15-18(22(28)26-10-8-25(2)9-11-26)13-21(27)20(24-16)7-6-17-4-3-5-19(23)12-17/h3-5,12-15H,8-11H2,1-2H3","""AuxInfo=1/0/N:1,13,23,22,24,20,19,11,14,10,15,27,16,3,5,2,21,6,25,18,17,7,26,28,12,9,4,8/E:(8,9)(10,11)/rA:28CCCNCCCONCCNCCCCCCCCCCCCCFCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s14;s6;s4d16;s17;s18;t19;s20;d21;s22;d23;s24;s25;s21d25;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MJLRIKDAKGLFPG_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836786;CHEMBL1830914,Cc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ncc1,MJLRIKDAKGLFPG,MJLRIKDAKGLFPG-UHFFFAOYSA-N,"InChI=1S/C14H14N6S/c1-8-5-6-15-13(17-8)19-14-18-12-9-7-16-20-10(9)3-2-4-11(12)21-14/h5-7H,2-4H2,1H3,(H,16,20)(H,15,17,18,19)","""AuxInfo=1/1/N:1,11,12,10,21,20,15,2,14,13,9,8,4,6,19,16,3,7,5,17,18/rA:21CCNCNCNCCCCCCCCNNSNCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  7.292;  7.290,7.291,0.001,0.001,2.0,7.291,0.001
-MJMVGOLMEAJMJK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104129,CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(O)c2ccccc2)ccc1,MJMVGOLMEAJMJK,MJMVGOLMEAJMJK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-2-27(25,26)23(16-17-8-7-13-22-15-17)20-12-6-11-19(14-20)21(24)18-9-4-3-5-10-18/h3-15,21,24H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,26,12,13,20,24,25,27,11,15,9,7,8,19,16,14,17,10,6,18,4,5,3/E:(4,5)(9,10)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s17;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-MJQFAEORXWJPGL_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71682645;CHEMBL2397364;CHEMBL2397364,CC1CN(c2ccccn2)CCN1C(=O)C1CCC(C(C)(C)C)CC1,MJQFAEORXWJPGL,MJQFAEORXWJPGL-UHFFFAOYSA-N,"InChI=1S/C21H33N3O/c1-16-15-23(19-7-5-6-12-22-19)13-14-24(16)20(25)17-8-10-18(11-9-17)21(2,3)4/h5-7,12,16-18H,8-11,13-15H2,1-4H3","""AuxInfo=1/0/N:1,21,22,23,7,8,6,17,25,18,24,9,11,12,3,2,16,19,5,14,20,10,4,13,15/E:(2,3,4)(8,9)(10,11)/rA:25CCCNCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s20;s20;s19;s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:756314;CHEMBL2399851;CHEMBL2399851,PMID:23727046,2013.0,PubChemAID:756314;PMID:23727046;PMID:23727046,2014;2013;2013,0;1;1,0,0,0,1;0;0,,=,  5.440;  5.440;  5.440,5.44,0.0,0.0,3.0,5.44,0.0
-MJSKDSUPUPCFKH_on_Q14833_WT,High,ChEMBL30,CHEMBL1223014,Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1,MJSKDSUPUPCFKH,MJSKDSUPUPCFKH-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c1-14-12-15(2)20(16(3)13-14)24-28(26,27)18-9-7-17(8-10-18)23-21(25)19-6-4-5-11-22-19/h4-13,24H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:1,5,27,20,21,19,13,24,12,25,22,3,28,2,4,26,14,11,18,6,16,23,15,7,17,9,10,8/E:(2,3)(7,8)(9,10)(12,13)(15,16)(26,27)/CRV:28.6/rA:28CCCCCCNSOOCCCCNCOCCCCCNCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;d8;s8;d11;s12;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s11d24;s6;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-MJUZIVFENBZUFH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL297150,NN1CC(N)(C(=O)O)CC1C(=O)O,MJUZIVFENBZUFH,MJUZIVFENBZUFH-UHFFFAOYSA-N,"InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:9,3,10,11,6,4,5,1,2,12,13,7,8/E:(10,11)(12,13)/rA:13NNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-MJUZIVFENBZUFH_on_Q14832_WT,Medium,ChEMBL30,CHEMBL297150,NN1CC(N)(C(=O)O)CC1C(=O)O,MJUZIVFENBZUFH,MJUZIVFENBZUFH-UHFFFAOYSA-N,"InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:9,3,10,11,6,4,5,1,2,12,13,7,8/E:(10,11)(12,13)/rA:13NNCCNCOOCCCOO/rB:s1;s2;s3;s4;s4;d6;s6;s4;s2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL818777;CHEMBL717238,PMID:10397508,1999.0,PMID:10397508;PMID:10893301,1999;2000,0,1;0,0,0;1,0,,=,  4.280;  4.280,4.28,0.0,0.0,2.0,4.28,0.0
-MJVXTLMESKYRAU_on_O15399_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_O60391_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_Q05586_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_Q12879_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_Q13224_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJVXTLMESKYRAU_on_Q14957_WT,Low,ChEMBL30,CHEMBL97742,NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O,MJVXTLMESKYRAU,MJVXTLMESKYRAU-UHFFFAOYSA-N,"InChI=1S/C9H10N4O4/c10-5(9(15)16)3-4-6(17-13-8(4)14)7-11-1-2-12-7/h1-2,5H,3,10H2,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:8,9,3,4,2,5,6,13,15,1,7,10,12,14,16,17,11/E:(1,2)(11,12)(15,16)/rA:17NCCCCCNCCNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MJWGHVGFPWIUSX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45486816;CHEMBL579011,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cncnc2)cs1,MJWGHVGFPWIUSX,MJWGHVGFPWIUSX-UHFFFAOYSA-N,"InChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-12(16)5-3-10)15-19-13(8-22-15)11-6-17-9-18-7-11/h2-9H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,20,21,18,5,15,8,14,3,12,9,17,19,13,2,4,22/E:(2,3)(4,5)(6,7)(17,18)/rA:22CNCOCCCCFCCCNCCCNCNCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:449313;CHEMBL1046438,PMID:19674894,2009.0,PubChemAID:449313;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-MJWGHVGFPWIUSX_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL579011;45486816,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cncnc2)cs1,MJWGHVGFPWIUSX,MJWGHVGFPWIUSX-UHFFFAOYSA-N,"InChI=1S/C15H11FN4OS/c1-20(14(21)10-2-4-12(16)5-3-10)15-19-13(8-22-15)11-6-17-9-18-7-11/h2-9H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,20,21,18,5,15,8,14,3,12,9,17,19,13,2,4,22/E:(2,3)(4,5)(6,7)(17,18)/rA:22CNCOCCCCFCCCNCCCNCNCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-MKHVYABIDNNOLA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978978,COC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1,MKHVYABIDNNOLA,MKHVYABIDNNOLA-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O3/c1-30-22(29)20-11-27(12-25-20)10-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13/h2-9,11-12H,10H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,28,21,8,6,29,9,14,17,12,13,27,22,5,23,3,18,24,30,26,7,25,4,2/E:(3,4)(5,6)/rA:30COCOCCNCCCCCCCCCCFCCCCCNONCCCN/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-MKNCSYQJMXUAJB_on_O00591_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_O14764_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P14867_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P18505_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P18507_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P28472_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P31644_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P34903_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P41594_WT,High,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  6.850;  6.250,6.55,0.3,0.3,2.0,6.55,0.3
-MKNCSYQJMXUAJB_on_P47869_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P47870_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P48169_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_P78334_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNCSYQJMXUAJB_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410219,Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1,MKNCSYQJMXUAJB,MKNCSYQJMXUAJB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3","""AuxInfo=1/0/N:1,21,15,5,6,11,19,12,18,23,24,3,8,2,20,4,7,10,13,25,22,9,16,17,14/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCCCNCCCCSCOOCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d14;d14;s13;s10d18;s9;s20;s7d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-MKNXZRAKHYWDOS_on_O00591_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_O14764_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P14867_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P18505_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P18507_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P28472_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P31644_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P34903_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P47869_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P47870_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P48169_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_P78334_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_Q16445_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKNXZRAKHYWDOS_on_Q99928_WT,Low,ChEMBL30,CHEMBL366062,[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F,MKNXZRAKHYWDOS,MKNXZRAKHYWDOS-UHFFFAOYSA-N,"InChI=1S/C11H4Cl2F6N2OS/c12-7-1-5(10(14,15)16)2-8(13)9(7)21-4-6(3-20-21)23(22)11(17,18)19/h1-4H","""AuxInfo=1/0/N:9,15,19,4,10,3,7,16,6,11,20,8,17,12,13,14,21,22,23,18,5,1,2/E:(1,2)(7,8)(12,13)(14,15,16)(17,18,19)/rA:23O-S+CCNCCClCCCFFFCCClNCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s3d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MKOHNZFXFNTIQA_on_P41594_WT,High,ChEMBL30,CHEMBL1779851,CN1CCc2c(ccc(C#Cc3ccccc3Cl)n2)C1=O,MKOHNZFXFNTIQA,MKOHNZFXFNTIQA-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O/c1-20-11-10-16-14(17(20)21)9-8-13(19-16)7-6-12-4-2-3-5-15(12)18/h2-5,8-9H,10-11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,11,10,8,7,4,3,12,9,6,17,5,20,18,19,2,21/rA:21CNCCCCCCCCCCCCCCCClNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s17;s5d9;s2s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  5.100;  6.040,5.57,0.47,0.47,2.0,5.57,0.47
-MKWNWKZQPHCTJB_on_Q05586_WT,Low,ChEMBL30,CHEMBL595813,CS(=O)(=O)Nc1ccc(OCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1,MKWNWKZQPHCTJB,MKWNWKZQPHCTJB-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O4S/c1-28(25,26)23-13-3-6-15(7-4-13)27-12-18(24)22-10-2-9-21-14-5-8-16(19)17(20)11-14/h3-8,11,21,23H,2,9-10,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,16,7,28,20,8,27,21,17,15,26,11,6,19,9,22,24,12,23,25,18,14,5,13,3,4,10,2/E:(3,4)(6,7)(25,26)/CRV:28.6/rA:28CSOONCCCCOCCONCCCNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-MKWNWKZQPHCTJB_on_Q13224_WT,Low,ChEMBL30,CHEMBL595813,CS(=O)(=O)Nc1ccc(OCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1,MKWNWKZQPHCTJB,MKWNWKZQPHCTJB-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O4S/c1-28(25,26)23-13-3-6-15(7-4-13)27-12-18(24)22-10-2-9-21-14-5-8-16(19)17(20)11-14/h3-8,11,21,23H,2,9-10,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,16,7,28,20,8,27,21,17,15,26,11,6,19,9,22,24,12,23,25,18,14,5,13,3,4,10,2/E:(3,4)(6,7)(25,26)/CRV:28.6/rA:28CSOONCCCCOCCONCCCNCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-MKXZASYAUGDDCJ_on_O15399_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749669;CHEMBL749668;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.620;  6.310;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_O60391_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.620;  6.310;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749669;CHEMBL749668;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.620;  6.310;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749668;CHEMBL749669;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.310;  6.620;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749668;CHEMBL749669;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.310;  6.620;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL22207;CHEMBL22207;CHEMBL52440,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL749669;CHEMBL761030,PMID:1433216,1992.0,PMID:1433216;PMID:1433216;PMID:9464369,1992;1992;1998,1;1;0,0,0,0;0;1,0,,=,  6.310;  6.620;  5.780,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKXZASYAUGDDCJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL52440;CHEMBL22207;CHEMBL22207,COc1cc2c(cc1)CC1C3CCCCC23CCN1C,MKXZASYAUGDDCJ,MKXZASYAUGDDCJ-UHFFFAOYSA-N,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:20,1,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,19,2/rA:20COCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030;CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:9464369;PMID:1433216;PMID:1433216,1998;1992;1992,0;1;1,0,0,1;0;0,0,,=,  5.780;  6.310;  6.620,6.237,0.34700000000000003,0.245,3.0,6.31,0.31
-MKYQOELRIOKGSG_on_P41594_WT,Medium,ChEMBL30,CHEMBL186864,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccco2)c1,MKYQOELRIOKGSG,MKYQOELRIOKGSG-UHFFFAOYSA-N,InChI=1S/C16H10FN5O/c17-12-8-11(15-5-3-7-23-15)9-13(10-12)22-20-16(19-21-22)14-4-1-2-6-18-14/h1-10H,"""AuxInfo=1/0/N:13,12,20,14,19,11,21,23,16,3,17,2,4,9,18,8,1,10,7,15,6,5,22/rA:23FCCCNNNCCNCCCCNCCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s18s21;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-MLGSJJSDUUXPSV_on_P41594_WT,High,ChEMBL30,CHEMBL3805655,O=C1NC(c2cc(C#Cc3ccccc3)ccn2)C(c2ccccc2)O1,MLGSJJSDUUXPSV,MLGSJJSDUUXPSV-UHFFFAOYSA-N,"InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-15-17(13-14-23-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,9,8,16,17,6,10,7,20,5,4,19,2,18,3,1,26/E:(3,4)(5,6)(7,8)(9,10)/rA:26OCNCCCCCCCCCCCCCCNCCCCCCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s16;s5d17;s4;s19;d20;s21;d22;s23;s20d24;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807498,PMID:26985317,2016.0,PMID:26985317,2016,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MLNOVGHRIBQQSW_on_P41594_WT,Medium,ChEMBL30,CHEMBL186571,c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,MLNOVGHRIBQQSW,MLNOVGHRIBQQSW-UHFFFAOYSA-N,InChI=1S/C17H12N6O/c1-3-10-18-15(8-1)17-20-22-23(21-17)13-6-5-7-14(12-13)24-16-9-2-4-11-19-16/h1-12H,"""AuxInfo=1/0/N:19,24,18,1,8,9,7,20,23,17,2,22,10,6,15,4,14,16,3,13,21,12,11,5/rA:24CCNCOCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-MLODFBMURSPJAA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257527,CC(C)NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C,MLODFBMURSPJAA,MLODFBMURSPJAA-UHFFFAOYSA-N,"InChI=1S/C22H33N5O2S/c1-13(2)24-10-14-11-27(26-19(14)22(3,4)5)12-17(28)25-21-18(20(23)29)15-8-6-7-9-16(15)30-21/h11,13,24H,6-10,12H2,1-5H3,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:1,3,28,29,30,22,21,23,20,5,7,9,2,6,18,19,10,14,26,15,13,27,16,4,12,25,8,11,17,24/E:(1,2)(3,4,5)/rA:30CCCNCCCNCCONCCCNOCCCCCCSNCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s14;d18;s19;s20;s21;s18s22;s13s19;s8;s6d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-MLPORFGIKZXOQH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3929271,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(F)cc2F)s1)c1ccccn1,MLPORFGIKZXOQH,MLPORFGIKZXOQH-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O3S2/c20-13-7-6-12(14(21)9-13)10-29(26,27)18-16(11-4-5-11)23-19(28-18)24-17(25)15-3-1-2-8-22-15/h1-3,6-9,11H,4-5,10H2,(H,23,24,25)","""AuxInfo=1/1/N:26,27,25,8,9,16,17,28,20,14,7,15,18,21,24,6,2,10,4,19,22,29,5,3,1,12,13,23,11/E:(4,5)(26,27)/CRV:29.6/rA:29OCNCNCCCCCSOOCCCCCFCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;d17;s18;s18;s15d20;s21;s4s10;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-MLQFOEOUNIRULR_on_O00222_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2426819,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLQFOEOUNIRULR_on_P41594_WT,High,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;CHEMBL2426830,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PMID:23947773,2011;2011;2013,0,1,0,0,0,,=,  6.780;  6.780;  6.020,6.527,0.358,0.253,3.0,6.78,0.0
-MLQFOEOUNIRULR_on_Q13255_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2426825,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLQFOEOUNIRULR_on_Q14416_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2426824,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLQFOEOUNIRULR_on_Q14831_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2426820,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLQFOEOUNIRULR_on_Q14832_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2426822,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLQFOEOUNIRULR_on_Q14833_WT,Low,ChEMBL30,CHEMBL1348198,O=C1CCOc2c1ccc(OCc1ccccc1)c2,MLQFOEOUNIRULR,MLQFOEOUNIRULR-UHFFFAOYSA-N,"InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,19,12,13,10,7,2,6,1,5,11/E:(2,3)(4,5)/rA:19OCCCOCCCCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2426823,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MLRKAMHWRLRODO_on_P14867_WT,Low,ChEMBL30,CHEMBL297873,Cc1csc(-c2cc(-c3cncnc3)c3-c4c(ccnc4)CCCn3c2=O)n1,MLRKAMHWRLRODO,MLRKAMHWRLRODO-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)17-7-16(15-8-23-12-24-9-15)19-18-10-22-5-4-14(18)3-2-6-26(19)21(17)27/h4-5,7-12H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,23,22,18,19,24,7,10,14,21,3,12,2,17,9,8,6,16,15,5,26,20,11,13,28,25,27,4/E:(8,9)(23,24)/rA:28CCCSCCCCCCNCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-MLRKAMHWRLRODO_on_P18507_WT,Low,ChEMBL30,CHEMBL297873,Cc1csc(-c2cc(-c3cncnc3)c3-c4c(ccnc4)CCCn3c2=O)n1,MLRKAMHWRLRODO,MLRKAMHWRLRODO-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)17-7-16(15-8-23-12-24-9-15)19-18-10-22-5-4-14(18)3-2-6-26(19)21(17)27/h4-5,7-12H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,23,22,18,19,24,7,10,14,21,3,12,2,17,9,8,6,16,15,5,26,20,11,13,28,25,27,4/E:(8,9)(23,24)/rA:28CCCSCCCCCCNCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.680;  8.050,7.865,0.185,0.185,2.0,7.865,0.185
-MLRKAMHWRLRODO_on_P28472_WT,Low,ChEMBL30,CHEMBL297873,Cc1csc(-c2cc(-c3cncnc3)c3-c4c(ccnc4)CCCn3c2=O)n1,MLRKAMHWRLRODO,MLRKAMHWRLRODO-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)17-7-16(15-8-23-12-24-9-15)19-18-10-22-5-4-14(18)3-2-6-26(19)21(17)27/h4-5,7-12H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,23,22,18,19,24,7,10,14,21,3,12,2,17,9,8,6,16,15,5,26,20,11,13,28,25,27,4/E:(8,9)(23,24)/rA:28CCCSCCCCCCNCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.680;  8.050,7.865,0.185,0.185,2.0,7.865,0.185
-MLRKAMHWRLRODO_on_P34903_WT,Low,ChEMBL30,CHEMBL297873,Cc1csc(-c2cc(-c3cncnc3)c3-c4c(ccnc4)CCCn3c2=O)n1,MLRKAMHWRLRODO,MLRKAMHWRLRODO-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-11-28-20(25-13)17-7-16(15-8-23-12-24-9-15)19-18-10-22-5-4-14(18)3-2-6-26(19)21(17)27/h4-5,7-12H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,23,22,18,19,24,7,10,14,21,3,12,2,17,9,8,6,16,15,5,26,20,11,13,28,25,27,4/E:(8,9)(23,24)/rA:28CCCSCCCCCCNCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-MLUBTJSGEZPYFM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892395,CC1(C)CN(c2ccc(C#Cc3cncnc3)cn2)C(=O)O1,MLUBTJSGEZPYFM,MLUBTJSGEZPYFM-UHFFFAOYSA-N,"InChI=1S/C16H14N4O2/c1-16(2)10-20(15(21)22-16)14-6-5-12(9-19-14)3-4-13-7-17-11-18-8-13/h5-9,11H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,10,11,8,7,13,17,18,4,15,9,12,6,20,2,14,16,19,5,21,22/E:(1,2)(7,8)(17,18)/rA:22CCCCNCCCCCCCCNCNCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-MLVYLIFNYBUDPN_on_Q14416_WT,High,ChEMBL30,CHEMBL3764024,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1F)cc2,MLVYLIFNYBUDPN,MLVYLIFNYBUDPN-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O/c1-18(2,3)11-22-15-10-9-14(12-7-5-6-8-13(12)19)20-16(15)21(4)17(22)23/h5-10H,11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,17,18,16,19,22,23,6,15,20,14,11,12,3,7,21,13,2,5,4/E:(1,2,3)/rA:23CNCONCCCCCCCNCCCCCCCFCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s20;s14;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-MLZJNABNOIALND_on_O15399_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_O60391_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_Q05586_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_Q12879_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_Q13224_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MLZJNABNOIALND_on_Q14957_WT,Low,ChEMBL30,CHEMBL170552,Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1,MLZJNABNOIALND,MLZJNABNOIALND-UHFFFAOYSA-N,"InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,17,19,16,13,6,12,7,3,9,20,2,14,15,4,10,5,21,11,8/rA:21CCCCNCCOCCNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d4;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11s15;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-MMBJQNHQQHDAKU_on_P18507_WT,Low,ChEMBL30,CHEMBL1783279,CCCNC(=O)c1nnc2c(-c3c(OC)nc(OC)nc3)cccc2c1N,MMBJQNHQQHDAKU,MMBJQNHQQHDAKU-UHFFFAOYSA-N,"InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)","""AuxInfo=1/1/N:1,15,19,2,23,22,24,3,21,11,25,12,26,10,7,5,13,17,27,4,20,16,9,8,6,14,18/rA:27CCCNCOCNNCCCCOCNCOCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-MMBJQNHQQHDAKU_on_P28472_WT,Low,ChEMBL30,CHEMBL1783279,CCCNC(=O)c1nnc2c(-c3c(OC)nc(OC)nc3)cccc2c1N,MMBJQNHQQHDAKU,MMBJQNHQQHDAKU-UHFFFAOYSA-N,"InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)","""AuxInfo=1/1/N:1,15,19,2,23,22,24,3,21,11,25,12,26,10,7,5,13,17,27,4,20,16,9,8,6,14,18/rA:27CCCNCOCNNCCCCOCNCOCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-MMBJQNHQQHDAKU_on_P47869_WT,High,ChEMBL30,CHEMBL1783279,CCCNC(=O)c1nnc2c(-c3c(OC)nc(OC)nc3)cccc2c1N,MMBJQNHQQHDAKU,MMBJQNHQQHDAKU-UHFFFAOYSA-N,"InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)","""AuxInfo=1/1/N:1,15,19,2,23,22,24,3,21,11,25,12,26,10,7,5,13,17,27,4,20,16,9,8,6,14,18/rA:27CCCNCOCNNCCCCOCNCOCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-MMDNGPXFTMGTMH_on_P41594_WT,Low,ChEMBL30,CHEMBL213985,COc1cccc(OCC#Cc2cccc(OC)n2)c1,MMDNGPXFTMGTMH,MMDNGPXFTMGTMH-UHFFFAOYSA-N,"InChI=1S/C16H15NO3/c1-18-14-8-4-9-15(12-14)20-11-5-7-13-6-3-10-16(17-13)19-2/h3-4,6,8-10,12H,11H2,1-2H3","""AuxInfo=1/0/N:1,18,14,5,10,13,11,4,6,15,9,20,12,3,7,16,19,2,17,8/rA:20COCCCCCOCCCCCCCCOCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s17;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MMFQWTMMTFFZLP_on_P41594_WT,Low,ChEMBL30,CHEMBL271028,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(C(F)(F)F)cccc2)n1,MMFQWTMMTFFZLP,MMFQWTMMTFFZLP-UHFFFAOYSA-N,"InChI=1S/C18H10F6N2/c1-11-9-26-10-13(17(19,20)21)8-16(26)15(25-11)7-6-12-4-2-3-5-14(12)18(22,23)24/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,15,14,11,3,5,2,16,6,17,13,12,7,18,8,9,10,19,20,21,26,4/E:(19,20,21)(22,23,24)/rA:26CCCNCCCFFFCCCCCCCCFFFCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;s18;s18;s17;d22;s23;s16d24;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-MMHBFMBLKHNQJR_on_Q14416_WT,High,ChEMBL30,CHEMBL1669383,CCCn1ccc2c(c(Cl)cc(-c3c[nH]nc3)c2)c1=O,MMHBFMBLKHNQJR,MMHBFMBLKHNQJR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c1-2-4-19-5-3-10-6-11(12-8-17-18-9-12)7-13(16)14(10)15(19)20/h3,5-9H,2,4H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,6,3,5,18,11,14,17,7,12,13,9,8,19,10,15,16,4,20/E:(8,9)(17,18)/rA:20CCCNCCCCCClCCCCNNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;s15;s13d16;s7d12;s4s8;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-MMKQYBCZVCYEFO_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779861;CHEMBL1779861;54583565,Cc1ccc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)cc1,MMKQYBCZVCYEFO,MMKQYBCZVCYEFO-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-14(2)22-13-12-19-18(20(22)23)11-10-17(21-19)9-8-16-6-4-15(3)5-7-16/h4-7,10-11,14H,12-13H2,1-3H3","""AuxInfo=1/0/N:16,17,1,3,23,4,22,6,7,9,10,19,18,15,2,5,8,11,20,12,21,14,13/E:(1,2)(4,5)(6,7)/rA:23CCCCCCCCCCCCONCCCCCCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s14;s18;s11s19;s8d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598492,2011;2011;2012,0,1;0;0,0,0;1;0,0;0;1,,=,  6.000;  4.700;  5.995,5.565,0.612,0.433,3.0,5.995,0.005
-MMRMVRSHKXWBQF_on_P41594_WT,High,ChEMBL30,CHEMBL224617,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCC2)c1=O,MMRMVRSHKXWBQF,MMRMVRSHKXWBQF-UHFFFAOYSA-N,"InChI=1S/C16H18N4OS/c1-19(2)11-7-8-17-15-12(11)13-14(22-15)16(21)20(9-18-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,20,9,8,14,16,4,5,12,11,6,21,7,13,2,15,22,10/E:(1,2)(3,4)(5,6)/rA:22CNCCCCNCCSCCNCNCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s16s19;s11s15;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-MMRMVRSHKXWBQF_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL224617;11609353,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCC2)c1=O,MMRMVRSHKXWBQF,MMRMVRSHKXWBQF-UHFFFAOYSA-N,"InChI=1S/C16H18N4OS/c1-19(2)11-7-8-17-15-12(11)13-14(22-15)16(21)20(9-18-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,20,9,8,14,16,4,5,12,11,6,21,7,13,2,15,22,10/E:(1,2)(3,4)(5,6)/rA:22CNCCCCNCCSCCNCNCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s16s19;s11s15;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  8.300;  8.301,8.3,0.001,0.001,2.0,8.3,0.0
-MMWCIQZXVOZEGG_on_Q14571_WT,Low,ChEMBL30,CHEMBL279107,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,MMWCIQZXVOZEGG,MMWCIQZXVOZEGG-UHFFFAOYSA-N,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","""AuxInfo=1/1/N:7,9,23,6,11,17,8,10,24,1,3,4,14,15,16,20,21,22,5,12,18,2,13,19/E:(10,11,12)(13,14,15)(16,17,18)/rA:24OPOOOCCOCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s12;d13;s13;s13;s11;s17;s18;d19;s19;s19;s6s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14571_WT,Q14571,WT,CHEMBL701347;CHEMBL873218;CHEMBL701349;CHEMBL750779,DOI:10.1016/0960-894X(95)00200-D,1995.0,PMID:10354407;PMID:10354407;PMID:10354407;DOI:10.1016/0960-894X(95)00200-D,1999;1999;1999;1995,1,0,0,0,0,,=,  7.280;  8.350;  7.470;  6.700,7.45,0.5920000000000001,0.342,4.0,7.375,0.385
-MMWCIQZXVOZEGG_on_Q14573_WT,Medium,ChEMBL30,CHEMBL279107,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,MMWCIQZXVOZEGG,MMWCIQZXVOZEGG-UHFFFAOYSA-N,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","""AuxInfo=1/1/N:7,9,23,6,11,17,8,10,24,1,3,4,14,15,16,20,21,22,5,12,18,2,13,19/E:(10,11,12)(13,14,15)(16,17,18)/rA:24OPOOOCCOCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s12;d13;s13;s13;s11;s17;s18;d19;s19;s19;s6s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL701348,DOI:10.1016/0960-894X(95)00200-D,1995.0,PMID:10397504,1999,0,0,1,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-MMWCIQZXVOZEGG_on_Q14643_WT,Medium,ChEMBL30,CHEMBL279107,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,MMWCIQZXVOZEGG,MMWCIQZXVOZEGG-UHFFFAOYSA-N,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)","""AuxInfo=1/1/N:7,9,23,6,11,17,8,10,24,1,3,4,14,15,16,20,21,22,5,12,18,2,13,19/E:(10,11,12)(13,14,15)(16,17,18)/rA:24OPOOOCCOCOCOPOOOCOPOOOCO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s12;d13;s13;s13;s11;s17;s18;d19;s19;s19;s6s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029;CHEMBL750780,DOI:10.1016/0960-894X(95)00200-D,1995.0,PMID:11958992;DOI:10.1016/0960-894X(95)00200-D,2002;1995,0;1,0,1;0,0,0,,=,  6.580;  6.520,6.55,0.03,0.03,2.0,6.55,0.03
-MMWKMKRWCPKFRA_on_P14867_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-MMWKMKRWCPKFRA_on_P18507_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680432;CHEMBL680669;CHEMBL677034;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.410;  9.110;  7.550;  8.070,8.285,0.5660000000000001,0.327,4.0,8.24,0.43
-MMWKMKRWCPKFRA_on_P28472_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL682709;CHEMBL677034;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.110;  8.070;  7.550;  8.410,8.285,0.5660000000000001,0.327,4.0,8.24,0.43
-MMWKMKRWCPKFRA_on_P31644_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-MMWKMKRWCPKFRA_on_P34903_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-MMWKMKRWCPKFRA_on_P47869_WT,Low,ChEMBL30,CHEMBL121275,Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1,MMWKMKRWCPKFRA,MMWKMKRWCPKFRA-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,25,27,24,28,17,14,2,26,23,15,10,11,9,6,12,5,16,29,8,7,21,3,22,13,4/E:(5,6)(7,8)/rA:29CCNOCCNNCCCCOCCNCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-MMXSDWJOQSEPSM_on_P14867_WT,Low,ChEMBL30,CHEMBL204738,CC(=O)NC1N=C(c2ccccc2)c2c(cccc2)NC1=O,MMXSDWJOQSEPSM,MMXSDWJOQSEPSM-UHFFFAOYSA-N,"InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)","""AuxInfo=1/1/N:1,11,10,12,18,17,9,13,19,16,2,8,14,15,7,5,21,4,20,6,3,22/E:(3,4)(7,8)/rA:22CCONCNCCCCCCCCCCCCCNCO/rB:s1;d2;s2;s4;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s15;s5s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MMXSDWJOQSEPSM_on_P31644_WT,Low,ChEMBL30,CHEMBL204738,CC(=O)NC1N=C(c2ccccc2)c2c(cccc2)NC1=O,MMXSDWJOQSEPSM,MMXSDWJOQSEPSM-UHFFFAOYSA-N,"InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)","""AuxInfo=1/1/N:1,11,10,12,18,17,9,13,19,16,2,8,14,15,7,5,21,4,20,6,3,22/E:(3,4)(7,8)/rA:22CCONCNCCCCCCCCCCCCCNCO/rB:s1;d2;s2;s4;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s15;s5s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MMZOMTNDPGKUIA_on_P18507_WT,Low,ChEMBL30,CHEMBL382356,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)cc1,MMZOMTNDPGKUIA,MMZOMTNDPGKUIA-UHFFFAOYSA-N,InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H,"""AuxInfo=1/0/N:26,29,28,25,13,27,3,20,10,17,12,11,2,18,6,14,23,4,21,7,15,1,19,24,5,22,16,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.850;  8.510,8.68,0.17,0.17,2.0,8.68,0.17
-MMZOMTNDPGKUIA_on_P28472_WT,Low,ChEMBL30,CHEMBL382356,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)cc1,MMZOMTNDPGKUIA,MMZOMTNDPGKUIA-UHFFFAOYSA-N,InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H,"""AuxInfo=1/0/N:26,29,28,25,13,27,3,20,10,17,12,11,2,18,6,14,23,4,21,7,15,1,19,24,5,22,16,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.510;  8.850,8.68,0.17,0.17,2.0,8.68,0.17
-MMZOMTNDPGKUIA_on_P31644_WT,Low,ChEMBL30,CHEMBL382356,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)cc1,MMZOMTNDPGKUIA,MMZOMTNDPGKUIA-UHFFFAOYSA-N,InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H,"""AuxInfo=1/0/N:26,29,28,25,13,27,3,20,10,17,12,11,2,18,6,14,23,4,21,7,15,1,19,24,5,22,16,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-MMZOMTNDPGKUIA_on_P34903_WT,Low,ChEMBL30,CHEMBL382356,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)cc1,MMZOMTNDPGKUIA,MMZOMTNDPGKUIA-UHFFFAOYSA-N,InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H,"""AuxInfo=1/0/N:26,29,28,25,13,27,3,20,10,17,12,11,2,18,6,14,23,4,21,7,15,1,19,24,5,22,16,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-MMZUUNDHLVUEPX_on_O00591_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
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-MMZUUNDHLVUEPX_on_P18505_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_P18507_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
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-MMZUUNDHLVUEPX_on_P31644_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
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-MMZUUNDHLVUEPX_on_P47869_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_P47870_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_P48169_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_P78334_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_Q16445_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MMZUUNDHLVUEPX_on_Q99928_WT,Low,ChEMBL30,CHEMBL79695,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12,MMZUUNDHLVUEPX,MMZUUNDHLVUEPX-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-13-17-19(24-25(21(17)26)12-14-5-3-2-4-6-14)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)23-13/h2-6,26H,7-12H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,10,13,14,8,20,2,21,6,7,29,5,17,4,27,9,3,18,19,28,12,15,16/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCCCCCCOCCOSCNNCCCCCCCCOC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s27;s2s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MNEDBWGEAFWGRR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3752701,OC1CN(Cc2ccccc2)CCc2c1cccc2,MNEDBWGEAFWGRR,MNEDBWGEAFWGRR-UHFFFAOYSA-N,"InChI=1S/C17H19NO/c19-17-13-18(12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)17/h1-9,17,19H,10-13H2","""AuxInfo=1/0/N:9,8,10,18,17,7,11,19,16,13,12,5,3,6,14,15,2,4,1/E:(2,3)(6,7)/rA:19OCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;s13;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-MNEDBWGEAFWGRR_on_Q13224_WT,Low,ChEMBL30,CHEMBL3752701,OC1CN(Cc2ccccc2)CCc2c1cccc2,MNEDBWGEAFWGRR,MNEDBWGEAFWGRR-UHFFFAOYSA-N,"InChI=1S/C17H19NO/c19-17-13-18(12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)17/h1-9,17,19H,10-13H2","""AuxInfo=1/0/N:9,8,10,18,17,7,11,19,16,13,12,5,3,6,14,15,2,4,1/E:(2,3)(6,7)/rA:19OCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;s13;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3757723,PMID:26750254,2016.0,PMID:26750254,2016,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-MNJUVXPWCIDYRL_on_Q13255_WT,High,ChEMBL30,CHEMBL3634419,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(F)c2)occ1,MNJUVXPWCIDYRL,MNJUVXPWCIDYRL-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,28,27,25,18,2,7,14,23,10,15,3,4,12,16,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.580;  7.580,7.58,0.0,0.0,2.0,7.58,0.0
-MNJUVXPWCIDYRL_on_Q14833_WT,High,ChEMBL30,CHEMBL3634419,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(F)c2)occ1,MNJUVXPWCIDYRL,MNJUVXPWCIDYRL-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-4-3-5-14-17(11)21(27)24(20(14)26)16-7-6-13(10-15(16)22)23-19(25)18-12(2)8-9-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:19,1,21,20,22,8,9,28,27,25,18,2,7,14,23,10,15,3,4,12,16,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCCCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-MNKIXDTWNLOCFY_on_P31644_WT,High,ChEMBL30,CHEMBL3676430,CNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1,MNKIXDTWNLOCFY,MNKIXDTWNLOCFY-UHFFFAOYSA-N,"InChI=1S/C17H22N4O3/c1-11-13(16(21-24-11)14-5-3-4-8-19-14)10-23-15-7-6-12(9-20-15)17(22)18-2/h6-7,9,14,19H,3-5,8,10H2,1-2H3,(H,18,22)","""AuxInfo=1/1/N:13,1,19,20,18,6,7,21,24,10,12,5,11,17,8,16,3,2,22,23,15,4,9,14/rA:24CNCOCCCCOCCCCONCCCCCCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;s17;s18;s19;s20;s17s21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-MNKULLKSVZZNEF_on_P31644_WT,High,ChEMBL30,CHEMBL3676461,CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,MNKULLKSVZZNEF,MNKULLKSVZZNEF-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-3-20-19(23)15-9-10-17(21-11-15)24-12-16-13(2)25-22-18(16)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,23)","""AuxInfo=1/1/N:1,14,2,21,20,22,19,23,7,8,25,11,13,18,6,12,9,17,4,3,24,16,5,10,15/E:(5,6)(7,8)/rA:25CCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;d18;s19;d20;s21;s18d22;s9;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-MNLXGBVUKOEYDJ_on_P14867_WT,Medium,ChEMBL30,CHEMBL146230,Oc1nc2c(CN(CC3CCCCC3)CC2)c2nc(-c3c(F)cccc3)cn12,MNLXGBVUKOEYDJ,MNLXGBVUKOEYDJ-UHFFFAOYSA-N,"InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-MNLXGBVUKOEYDJ_on_P31644_WT,Medium,ChEMBL30,CHEMBL146230,Oc1nc2c(CN(CC3CCCCC3)CC2)c2nc(-c3c(F)cccc3)cn12,MNLXGBVUKOEYDJ,MNLXGBVUKOEYDJ-UHFFFAOYSA-N,"InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-MNLXGBVUKOEYDJ_on_P34903_WT,Medium,ChEMBL30,CHEMBL146230,Oc1nc2c(CN(CC3CCCCC3)CC2)c2nc(-c3c(F)cccc3)cn12,MNLXGBVUKOEYDJ,MNLXGBVUKOEYDJ-UHFFFAOYSA-N,"InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-MNLXGBVUKOEYDJ_on_P47869_WT,Medium,ChEMBL30,CHEMBL146230,Oc1nc2c(CN(CC3CCCCC3)CC2)c2nc(-c3c(F)cccc3)cn12,MNLXGBVUKOEYDJ,MNLXGBVUKOEYDJ-UHFFFAOYSA-N,"InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MNMWRNWFNYWLKI_on_P41594_WT,High,ChEMBL30,CHEMBL206296,N#Cc1cc(Cl)nc(OCc2ccnc(Cl)c2)c1,MNMWRNWFNYWLKI,MNMWRNWFNYWLKI-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N3O/c13-10-3-8(1-2-16-10)7-18-12-5-9(6-15)4-11(14)17-12/h1-5H,7H2","""AuxInfo=1/0/N:12,13,17,4,18,2,10,11,3,15,5,8,16,6,1,14,7,9/rA:18NCCCCClNCOCCCCNCClCC/rB:t1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;d13;s14;s15;s11d15;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860999;CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,1;0,0,0,0;1,0,,=,  7.140;  7.770,7.455,0.315,0.315,2.0,7.455,0.315
-MNTGRSPARUFALM_on_P14867_WT,Low,ChEMBL30,CHEMBL425934,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1,MNTGRSPARUFALM,MNTGRSPARUFALM-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H,"""AuxInfo=1/0/N:16,17,8,9,24,15,25,20,5,21,27,7,6,3,12,10,18,2,4,13,11,19,1,26,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-MNTGRSPARUFALM_on_P18507_WT,Low,ChEMBL30,CHEMBL425934,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1,MNTGRSPARUFALM,MNTGRSPARUFALM-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H,"""AuxInfo=1/0/N:16,17,8,9,24,15,25,20,5,21,27,7,6,3,12,10,18,2,4,13,11,19,1,26,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865020;CHEMBL865018;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.110;  9.050;  8.250,8.47,0.414,0.293,3.0,8.25,0.14
-MNTGRSPARUFALM_on_P28472_WT,Low,ChEMBL30,CHEMBL425934,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1,MNTGRSPARUFALM,MNTGRSPARUFALM-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H,"""AuxInfo=1/0/N:16,17,8,9,24,15,25,20,5,21,27,7,6,3,12,10,18,2,4,13,11,19,1,26,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865019;CHEMBL865018;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250;  9.050;  8.110,8.47,0.414,0.293,3.0,8.25,0.14
-MNTGRSPARUFALM_on_P31644_WT,Low,ChEMBL30,CHEMBL425934,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1,MNTGRSPARUFALM,MNTGRSPARUFALM-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H,"""AuxInfo=1/0/N:16,17,8,9,24,15,25,20,5,21,27,7,6,3,12,10,18,2,4,13,11,19,1,26,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-MNTGRSPARUFALM_on_P34903_WT,Low,ChEMBL30,CHEMBL425934,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1,MNTGRSPARUFALM,MNTGRSPARUFALM-UHFFFAOYSA-N,InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H,"""AuxInfo=1/0/N:16,17,8,9,24,15,25,20,5,21,27,7,6,3,12,10,18,2,4,13,11,19,1,26,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-MNZXGZFQJINFTA_on_Q14416_WT,High,ChEMBL30,CHEMBL189290,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1ccc(Oc2ccc(-c3n[nH]nn3)cc2)cc1,MNZXGZFQJINFTA,MNZXGZFQJINFTA-UHFFFAOYSA-N,"InChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34)","""AuxInfo=1/1/N:1,11,12,13,2,3,21,37,27,34,22,36,26,35,15,16,6,7,19,9,20,28,23,25,5,4,14,17,29,10,30,33,31,32,8,18,24/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)(31,32)(33,34)/rA:37CCCCCCCNCCCCCCCCCOCCCCCOCCCCCNNNNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;d20;s21;d22;s23;s24;d25;s26;d27;s28;d29;s30;s31;s29d32;s28;s25d34;s23;s20d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-MOAQBSXERKXYNY_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3918824,Cc1c(S(=O)(=O)Cc2ccc(F)cc2)sc(NC(=O)c2ccccn2)n1,MOAQBSXERKXYNY,MOAQBSXERKXYNY-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O3S2/c1-11-16(26(23,24)10-12-5-7-13(18)8-6-12)25-17(20-11)21-15(22)14-4-2-3-9-19-14/h2-9H,10H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,23,21,9,14,10,13,24,7,2,8,11,20,18,3,16,12,25,26,17,19,5,6,15,4/E:(5,6)(7,8)(23,24)/CRV:26.6/rA:26CCCSOOCCCCCFCCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s8d13;s3;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-MOCWYDDMPCAOKG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3964644,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1,MOCWYDDMPCAOKG,MOCWYDDMPCAOKG-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O2/c24-17-6-3-15(4-7-17)19-12-21(23(25)29)27-20-11-16(5-8-18(19)20)22(28)10-14-2-1-9-26-13-14/h1-9,11-13,22,28H,10H2,(H2,25,29)","""AuxInfo=1/1/N:23,22,8,13,16,9,12,15,24,20,27,5,26,21,7,17,10,14,6,28,4,18,2,11,1,25,29,19,3/E:(3,4)(6,7)/rA:29NCOCCCCCCCFCCCCCCCOCCCCCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s18;s20;d21;s22;d23;s24;s21d25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.300;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-MOHJKAQWWJTSHQ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672243;51003284,O=C(Nc1cc(Cl)c(NC(=O)C2CCCCC2)cc1)c1ncccc1,MOHJKAQWWJTSHQ,MOHJKAQWWJTSHQ-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-15-12-14(22-19(25)17-8-4-5-11-21-17)9-10-16(15)23-18(24)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,22,25)(H,23,24)","""AuxInfo=1/1/N:15,14,16,24,23,13,17,25,19,18,22,5,12,4,6,8,20,10,2,7,21,3,9,11,1/E:(2,3)(6,7)/rA:25OCNCCCClCNCOCCCCCCCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s8;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441;PubChemAID:577305,PMID:21247167,2011.0,PMID:21247167;PubChemAID:577305,2011,0,1;0,0,0,0;1,,=,  6.370;  6.371,6.37,0.001,0.001,2.0,6.37,0.001
-MOJGKORNGQFRSS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1619808,Oc1c(CN2CCCCC2)c2c(cc1)[nH]cn2,MOJGKORNGQFRSS,MOJGKORNGQFRSS-UHFFFAOYSA-N,"InChI=1S/C13H17N3O/c17-12-5-4-11-13(15-9-14-11)10(12)8-16-6-2-1-3-7-16/h4-5,9,17H,1-3,6-8H2,(H,14,15)","""AuxInfo=1/1/N:8,7,9,13,14,6,10,4,16,3,12,2,11,15,17,5,1/E:(2,3)(6,7)/rA:17OCCCNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s5s9;s3;d11;s12;s2d13;s12;s15;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-MOMHVSWFXFZENV_on_Q14833_WT,High,ChEMBL30,CHEMBL1209514,Cc1cnc(N)nc1C=Cc1ccccc1,MOMHVSWFXFZENV,MOMHVSWFXFZENV-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-10-9-15-13(14)16-12(10)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,14,13,15,12,16,10,9,3,2,11,8,5,6,4,7/E:(3,4)(5,6)/rA:16CCCNCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;w?9;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MOQDBKZFXWKCSA_on_P41594_WT,High,ChEMBL30,CHEMBL2431431,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1,MOQDBKZFXWKCSA,MOQDBKZFXWKCSA-UHFFFAOYSA-N,"InChI=1S/C26H25FN6O/c1-19-16-21(8-9-22(19)27)23-17-33(25(30-23)20-6-3-2-4-7-20)18-24(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26/h2-11,16-17H,12-15,18H2,1H3","""AuxInfo=1/0/N:1,30,29,31,21,28,32,6,5,20,22,15,25,16,24,34,9,11,2,27,7,3,8,12,26,18,4,19,23,33,14,17,10,13/E:(3,4)(6,7)(10,11)(12,13)(14,15)(28,29)/rA:34CCCFCCCCCNCCONCCNCNCCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s27d31;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-MOQUYJYEUZNQIR_on_Q13255_WT,High,ChEMBL30,CHEMBL3786494,Cc1c(C(=O)Nc2ccc(N3Cc4c(cccc4)C3=O)cc2)occ1,MOQUYJYEUZNQIR,MOQUYJYEUZNQIR-UHFFFAOYSA-N,"InChI=1S/C20H16N2O3/c1-13-10-11-25-18(13)19(23)21-15-6-8-16(9-7-15)22-12-14-4-2-3-5-17(14)20(22)24/h2-11H,12H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,16,18,15,8,22,9,21,25,24,12,2,13,7,10,14,3,4,19,6,11,5,20,23/E:(6,7)(8,9)/rA:25CCCCONCCCCNCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;d19;s10;s7d21;s3;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.810;  5.810,5.81,0.0,0.0,2.0,5.81,0.0
-MOSHYIZCRFOVQT_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830706,Cc1cc(Nc2nc3c(CCc4c-3cn[nH]4)s2)nc(C)c1,MOSHYIZCRFOVQT,MOSHYIZCRFOVQT-UHFFFAOYSA-N,"InChI=1S/C15H15N5S/c1-8-5-9(2)17-13(6-8)18-15-19-14-10-7-16-20-11(10)3-4-12(14)21-15/h5-7H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:1,20,11,10,21,3,14,2,19,13,12,9,4,8,6,15,18,5,7,16,17/rA:21CCCCNCNCCCCCCCNNSNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s8d12;s13;d14;s12s15;s6s9;d4;s18;s19;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MOSVQDPBWVLHEA_on_P41594_WT,High,ChEMBL30,CHEMBL2069379,Cc1ccc(N2CC(c3nc(-c4cccc(C)c4)no3)CC2=O)cc1,MOSVQDPBWVLHEA,MOSVQDPBWVLHEA-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c1-13-6-8-17(9-7-13)23-12-16(11-18(23)24)20-21-19(22-25-20)15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,17,14,15,13,3,25,4,24,18,21,7,2,16,12,8,5,22,11,9,10,19,6,23,20/E:(6,7)(8,9)/rA:25CCCCCNCCCNCCCCCCCCNOCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s9s19;s8;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-MOWRNYHKJAZJGB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,1441208;CHEMBL593362,COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2)cc1,MOWRNYHKJAZJGB,MOWRNYHKJAZJGB-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c1-23-16-8-6-15(7-9-16)20-17-10-5-14(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,16,18,20,5,22,4,23,21,15,19,10,11,6,3,8,12,9,7,14,13,2/E:(3,4)(6,7)(8,9)(11,12)/rA:23COCCCCNCNCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s17;s14s18;s11;s8d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451779;CHEMBL1065281,PMID:19931453,2010.0,PubChemAID:451779;PMID:19931453,2010,0;1,0,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-MPBPPCNVMAZSGS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110016,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1Cl,MPBPPCNVMAZSGS,MPBPPCNVMAZSGS-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-13-9-17(10-14(2)24-13)21-19-7-8-28-15(3)12-26(19)22(25-21)16-5-6-18(23)20(11-16)27-4/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,27,17,3,8,6,28,13,7,24,2,20/E:(1,2)(9,10)(13,14)/rA:28COCCCCNCCCCCNCCCCCCOCCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MPCPWTZBCYORMX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912677,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)F)c3)n2)cc(C)n1,MPCPWTZBCYORMX,MPCPWTZBCYORMX-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O/c1-12-9-15(10-13(2)25-12)19-18-5-7-28-8-6-27(18)21(26-19)14-3-4-17(22)16(11-14)20(23)24/h3-4,9-11,20H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,27,15,16,7,11,8,10,3,25,23,2,26,14,4,19,17,6,5,20,13,18,21,22,28,24,12,9/E:(1,2)(9,10)(12,13)(23,24)/rA:28CCCCCCCCOCCNCCCCCClCCFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s20;s14d19;s5d13;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-MPHZGUFVXAWBHR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1808889;56663554;CHEMBL1808889,Cc1cc(-c2cc(F)ccc2)ncc1C1CCCN1C(=O)c1cnccn1,MPHZGUFVXAWBHR,MPHZGUFVXAWBHR-UHFFFAOYSA-N,"InChI=1S/C21H19FN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3","""AuxInfo=1/0/N:1,10,17,11,9,16,25,26,18,3,6,13,23,2,5,7,14,4,22,15,20,8,24,27,12,19,21/rA:27CCCCCCCFCCCNCCCCCCNCOCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s5d10;d4;s12;s2d13;s14;s15;s16;s17;s15s18;s19;d20;s20;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;PubChemAID:609897;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343;PubChemAID:609897;PMID:21757343,2011;2012;2011,1;0;0,0,0,0;0;1,0;1;0,,=,  6.920;  6.921;  5.960,6.6,0.45299999999999996,0.32,3.0,6.92,0.001
-MPINDAUAJFPXKM_on_P31644_WT,High,ChEMBL30,CHEMBL3681475,Cc1c(CNc2ccc(C(=O)NC3CC3)cn2)c(-c2cccc(F)c2)no1,MPINDAUAJFPXKM,MPINDAUAJFPXKM-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-12-17(19(25-27-12)13-3-2-4-15(21)9-13)11-23-18-8-5-14(10-22-18)20(26)24-16-6-7-16/h2-5,8-10,16H,6-7,11H2,1H3,(H,22,23)(H,24,26)","""AuxInfo=1/1/N:1,21,20,22,8,14,15,7,25,16,4,2,19,9,23,13,3,6,18,10,24,17,5,12,26,11,27/E:(6,7)/rA:27CCCCNCCCCCONCCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-MPJNHEQQSVPICY_on_O15399_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_O60391_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJNHEQQSVPICY_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365805,COC(=O)c1ccc(C=NN=C(N)N)cc1,MPJNHEQQSVPICY,MPJNHEQQSVPICY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-7(3-5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,6,16,9,8,5,3,12,13,14,10,11,4,2/E:(2,3)(4,5)(11,12)/rA:16COCOCCCCCNNCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-MPJZDTPSAURLQA_on_P41594_WT,Low,ChEMBL30,CHEMBL2349531,Cc1nc(NC(=O)c2nn(C)c3c2cccc3)ccc1,MPJZDTPSAURLQA,MPJZDTPSAURLQA-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)19(2)18-14/h3-9H,1-2H3,(H,16,17,20)","""AuxInfo=1/1/N:1,11,15,16,19,20,14,17,18,2,13,12,4,8,6,3,5,9,10,7/rA:20CCNCNCOCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s12d16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MPKHVTSOJQASTK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112586,NC(CCC12CC3CC(CC(C3)C1)C2)(C(=O)O)C1CC1C(=O)O,MPKHVTSOJQASTK,MPKHVTSOJQASTK-UHFFFAOYSA-N,"InChI=1S/C18H27NO4/c19-18(16(22)23,14-6-13(14)15(20)21)2-1-17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:4,3,8,10,12,19,14,6,13,9,7,11,20,18,21,15,5,2,1,22,23,16,17/E:(3,4,5)(7,8,9)(10,11,12)(20,21)(22,23)/rA:23NCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-MPKHVTSOJQASTK_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112586,NC(CCC12CC3CC(CC(C3)C1)C2)(C(=O)O)C1CC1C(=O)O,MPKHVTSOJQASTK,MPKHVTSOJQASTK-UHFFFAOYSA-N,"InChI=1S/C18H27NO4/c19-18(16(22)23,14-6-13(14)15(20)21)2-1-17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:4,3,8,10,12,19,14,6,13,9,7,11,20,18,21,15,5,2,1,22,23,16,17/E:(3,4,5)(7,8,9)(10,11,12)(20,21)(22,23)/rA:23NCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5s11;s5s9;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-MPLHTLQHEIOKHW_on_Q13255_WT,High,ChEMBL30,CHEMBL565948,Cc1c(-c2ccc(C(=O)NC(C)C)cc2)nnn1-c1cnccc1,MPLHTLQHEIOKHW,MPLHTLQHEIOKHW-UHFFFAOYSA-N,"InChI=1S/C18H19N5O/c1-12(2)20-18(24)15-8-6-14(7-9-15)17-13(3)23(22-21-17)16-5-4-10-19-11-16/h4-12H,1-3H3,(H,20,24)","""AuxInfo=1/1/N:12,13,1,23,24,5,15,6,14,22,20,11,2,4,7,19,3,8,21,10,16,17,18,9/E:(1,2)(6,7)(8,9)/rA:24CCCCCCCCONCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s7;s4d14;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-MPLPUJZKHSOQFA_on_Q13255_WT,High,ChEMBL30,CHEMBL3330801,O=c1c2c(ncn1-c1cc(F)ccc1)c(-c1ccccc1)cs2,MPLPUJZKHSOQFA,MPLPUJZKHSOQFA-UHFFFAOYSA-N,InChI=1S/C18H11FN2OS/c19-13-7-4-8-14(9-13)21-11-20-16-15(10-23-17(16)18(21)22)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,13,17,21,12,14,9,22,6,16,10,8,15,4,3,2,11,5,7,1,23/E:(2,3)(5,6)/rA:23OCCCNCNCCCFCCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;s10;d10;s12;s8d13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MPNIETIKINOPSG_on_Q14833_WT,High,ChEMBL30,CHEMBL1209742,Nc1nccc(C=Cc2ccco2)n1,MPNIETIKINOPSG,MPNIETIKINOPSG-UHFFFAOYSA-N,"InChI=1S/C10H9N3O/c11-10-12-6-5-8(13-10)3-4-9-2-1-7-14-9/h1-7H,(H2,11,12,13)","""AuxInfo=1/1/N:11,10,7,8,5,4,12,6,9,2,1,3,14,13/rA:14NCNCCCCCCCCCON/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s9s12;s2d6;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-MPPHAVDCUHKXJP_on_P41594_WT,Medium,ChEMBL30,CHEMBL1681814,O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCc1ccncc1,MPPHAVDCUHKXJP,MPPHAVDCUHKXJP-UHFFFAOYSA-N,"InChI=1S/C23H16N2O2/c26-22-20-9-8-19(7-6-17-4-2-1-3-5-17)16-21(20)23(27)25(22)15-12-18-10-13-24-14-11-18/h1-5,8-11,13-14,16H,12,15H2","""AuxInfo=1/0/N:12,11,13,10,14,8,7,15,16,23,27,21,24,26,20,5,9,22,6,3,4,2,17,25,19,1,18/E:(2,3)(4,5)(10,11)(13,14)/rA:27OCCCCCCCCCCCCCCCCONCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;d17;s2s17;s19;s20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-MPUAUPQFSLHOHQ_on_O15399_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_O60391_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPUAUPQFSLHOHQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL81867,N=C(NC1CCCCC1)NC1CCCCC1,MPUAUPQFSLHOHQ,MPUAUPQFSLHOHQ-UHFFFAOYSA-N,"InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MPULOCVGOZDGRW_on_P31644_WT,High,ChEMBL30,CHEMBL3676487,CCN1CCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)CC1,MPULOCVGOZDGRW,MPULOCVGOZDGRW-UHFFFAOYSA-N,"InChI=1S/C24H28N4O3/c1-3-28-13-11-20(12-14-28)26-24(29)19-9-10-22(25-15-19)30-16-21-17(2)31-27-23(21)18-7-5-4-6-8-18/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,26,29)","""AuxInfo=1/1/N:1,18,2,25,24,26,23,27,11,12,5,30,4,31,29,15,17,22,10,6,16,13,21,8,28,7,20,3,9,14,19/E:(5,6)(7,8)(11,12)(13,14)/rA:31CCNCCCNCOCCCCOCCCCONCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s17;s19;s16d20;s21;d22;s23;d24;s25;s22d26;s13;s10d28;s6;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-MPWAPKMGKXJWBD_on_P14867_WT,Medium,ChEMBL30,CHEMBL145970,Oc1nc2c(CN(CC3CC3)CC2)c2nc(-c3c(F)cccc3)cn12,MPWAPKMGKXJWBD,MPWAPKMGKXJWBD-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)","""AuxInfo=1/1/N:22,21,23,20,10,11,13,12,8,6,24,9,17,5,18,4,16,14,2,19,15,3,7,25,1/E:(5,6)/rA:25OCNCCCNCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9s10;s7;s4s12;s5;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s2s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-MPWAPKMGKXJWBD_on_P31644_WT,Medium,ChEMBL30,CHEMBL145970,Oc1nc2c(CN(CC3CC3)CC2)c2nc(-c3c(F)cccc3)cn12,MPWAPKMGKXJWBD,MPWAPKMGKXJWBD-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)","""AuxInfo=1/1/N:22,21,23,20,10,11,13,12,8,6,24,9,17,5,18,4,16,14,2,19,15,3,7,25,1/E:(5,6)/rA:25OCNCCCNCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9s10;s7;s4s12;s5;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s2s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-MPWAPKMGKXJWBD_on_P34903_WT,Medium,ChEMBL30,CHEMBL145970,Oc1nc2c(CN(CC3CC3)CC2)c2nc(-c3c(F)cccc3)cn12,MPWAPKMGKXJWBD,MPWAPKMGKXJWBD-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)","""AuxInfo=1/1/N:22,21,23,20,10,11,13,12,8,6,24,9,17,5,18,4,16,14,2,19,15,3,7,25,1/E:(5,6)/rA:25OCNCCCNCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9s10;s7;s4s12;s5;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s2s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-MPWAPKMGKXJWBD_on_P47869_WT,Medium,ChEMBL30,CHEMBL145970,Oc1nc2c(CN(CC3CC3)CC2)c2nc(-c3c(F)cccc3)cn12,MPWAPKMGKXJWBD,MPWAPKMGKXJWBD-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)","""AuxInfo=1/1/N:22,21,23,20,10,11,13,12,8,6,24,9,17,5,18,4,16,14,2,19,15,3,7,25,1/E:(5,6)/rA:25OCNCCCNCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s9s10;s7;s4s12;s5;d14;s15;s16;d17;s18;s18;d20;s21;s17d22;d16;s2s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-MQDBLHZAPZLITE_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799694,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,MQDBLHZAPZLITE,MQDBLHZAPZLITE-UHFFFAOYSA-N,"InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)","""AuxInfo=1/1/N:1,8,2,24,21,13,7,12,16,22,25,6,4,10,17,23,18,19,20,3,11,15,14,27,26,5,9/E:(17,18,19)/rA:27CCNCOCCCSCNCCNNCCFFFCCClCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160;CHEMBL3801515,PMID:26919761,2016.0,PMID:28105280;PMID:26919761,2017;2016,0,1,0,0,0,,=,  6.360;  6.360,6.36,0.0,0.0,2.0,6.36,0.0
-MQDBLHZAPZLITE_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799694,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,MQDBLHZAPZLITE,MQDBLHZAPZLITE-UHFFFAOYSA-N,"InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)","""AuxInfo=1/1/N:1,8,2,24,21,13,7,12,16,22,25,6,4,10,17,23,18,19,20,3,11,15,14,27,26,5,9/E:(17,18,19)/rA:27CCNCOCCCSCNCCNNCCFFFCCClCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515;CHEMBL3871160,PMID:26919761,2016.0,PMID:26919761;PMID:28105280,2016;2017,0,1,0,0,0,,=,  6.360;  6.360,6.36,0.0,0.0,2.0,6.36,0.0
-MQJNIJYRBOZJEB_on_P41594_WT,High,ChEMBL30,CHEMBL3660255,Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1,MQJNIJYRBOZJEB,MQJNIJYRBOZJEB-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,3,5,20,21,11,15,19,17,2,12,14,10,6,8,16,18,22,23,7,9,13/E:(8,9)(17,18)/rA:23CCCCCCNCOCCCOCCNCNCCCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d12;s20;s10d21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-MQMKMSBFMXKXQP_on_Q14833_WT,High,ChEMBL30,CHEMBL1209520,Nc1ncc(Cl)c(C=Cc2ccccc2)n1,MQMKMSBFMXKXQP,MQMKMSBFMXKXQP-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3/c13-10-8-15-12(14)16-11(10)7-6-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,9,8,4,10,5,7,2,6,1,3,16/E:(2,3)(4,5)/rA:16NCNCCClCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;w?8;s9;d10;s11;d12;s13;s10d14;s2d7;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-MQNONJFZYGLRBE_on_Q14416_WT,High,ChEMBL30,CHEMBL3337516,N#Cc1c(N2CCC(c3c(Cl)cccc3)CC2)ccn(CC2CC2)c1=O,MQNONJFZYGLRBE,MQNONJFZYGLRBE-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c22-19-4-2-1-3-17(19)16-7-10-24(11-8-16)20-9-12-25(14-15-5-6-15)21(26)18(20)13-23/h1-4,9,12,15-16H,5-8,10-11,14H2","""AuxInfo=1/0/N:14,13,15,12,23,24,7,16,18,6,17,19,2,21,22,8,9,3,10,4,25,11,1,5,20,26/E:(5,6)(7,8)(10,11)/rA:26NCCCNCCCCCClCCCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s9d14;s8;s5s16;s4;d18;s19;s20;s21;s22;s22s23;s3s20;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-MQRMIIQULCIDEH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL194507;11232032,CCOc1cc(-c2cnccc2)cnc1Nc1nc(C)ccc1,MQRMIIQULCIDEH,MQRMIIQULCIDEH-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-3-23-16-10-15(14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,20,2,22,11,21,12,23,10,5,8,13,19,7,6,4,17,15,9,14,18,16,3/rA:23CCOCCCCCNCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s4d14;s15;s16;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  7.920;  7.921,7.921,0.0,0.0,2.0,7.921,0.001
-MQUBOVHAWNJYNE_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171705,Cc1nccc(NC(=O)c2c(Nc3cncnc3)sc(C)n2)c1,MQUBOVHAWNJYNE,MQUBOVHAWNJYNE-UHFFFAOYSA-N,"InChI=1S/C15H14N6OS/c1-9-5-11(3-4-18-9)20-14(22)13-15(23-10(2)19-13)21-12-6-16-8-17-7-12/h3-8,21H,1-2H3,(H,18,20,22)","""AuxInfo=1/1/N:1,21,5,4,23,14,18,16,2,20,6,13,10,8,11,15,17,3,22,7,12,9,19/E:(6,7)(16,17)/rA:23CCNCCCNCOCCNCCNCNCSCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s20;s10d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-MRBKMMZUVLPGTA_on_Q05586_WT,Low,ChEMBL30,CHEMBL63924,Oc1cccc2c1nc(Cc1ccc(Oc3ccccc3)cc1)[nH]2,MRBKMMZUVLPGTA,MRBKMMZUVLPGTA-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c23-18-8-4-7-17-20(18)22-19(21-17)13-14-9-11-16(12-10-14)24-15-5-2-1-3-6-15/h1-12,23H,13H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,4,17,21,5,3,12,23,13,22,10,11,16,14,6,2,9,7,24,8,1,15/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s6s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.850;  6.820,6.835,0.015,0.015,2.0,6.835,0.015
-MRBKMMZUVLPGTA_on_Q13224_WT,Low,ChEMBL30,CHEMBL63924,Oc1cccc2c1nc(Cc1ccc(Oc3ccccc3)cc1)[nH]2,MRBKMMZUVLPGTA,MRBKMMZUVLPGTA-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2/c23-18-8-4-7-17-20(18)22-19(21-17)13-14-9-11-16(12-10-14)24-15-5-2-1-3-6-15/h1-12,23H,13H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,4,17,21,5,3,12,23,13,22,10,11,16,14,6,2,9,7,24,8,1,15/E:(2,3)(5,6)(9,10)(11,12)/rA:24OCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11d22;s6s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  6.850;  6.820,6.835,0.015,0.015,2.0,6.835,0.015
-MRBNIDFDWVVALT_on_P14867_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-MRBNIDFDWVVALT_on_P18507_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.350;  7.430;  8.210,7.662999999999999,0.38799999999999996,0.27399999999999997,3.0,7.43,0.08
-MRBNIDFDWVVALT_on_P28472_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.210;  7.350;  7.430,7.662999999999999,0.38799999999999996,0.27399999999999997,3.0,7.43,0.08
-MRBNIDFDWVVALT_on_P31644_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681481,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MRBNIDFDWVVALT_on_P34903_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-MRBNIDFDWVVALT_on_P47869_WT,Low,ChEMBL30,CHEMBL59478,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1,MRBNIDFDWVVALT,MRBNIDFDWVVALT-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3","""AuxInfo=1/0/N:16,1,5,26,4,27,10,14,11,13,22,23,25,6,9,3,7,19,8,20,17,12,21,15,18,2,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27COCCCCCCCCCNCCNCCOCCNCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s20s23;s7d19;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-MRDCKBRCRQESDV_on_P14867_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-MRDCKBRCRQESDV_on_P18507_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.530;  7.810;  6.490,6.943,0.613,0.433,3.0,6.53,0.04
-MRDCKBRCRQESDV_on_P28472_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.810;  6.490;  6.530,6.943,0.613,0.433,3.0,6.53,0.04
-MRDCKBRCRQESDV_on_P31644_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-MRDCKBRCRQESDV_on_P34903_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-MRDCKBRCRQESDV_on_Q16445_WT,Low,ChEMBL30,CHEMBL176457,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC,MRDCKBRCRQESDV,MRDCKBRCRQESDV-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-20(10-11-23(21)29-24(25)14-28-26)33-15-17-8-9-18-6-4-5-7-19(18)12-17/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,22,23,21,24,26,25,27,28,18,13,8,16,31,17,20,19,14,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s20;s17d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MRHNQQSAQWOBRD_on_P14867_WT,Low,ChEMBL30,CHEMBL3138433,CC(=O)c1ccc(C#CC2(O)CCC3C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,MRHNQQSAQWOBRD,MRHNQQSAQWOBRD-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-19(31)22-6-4-21(5-7-22)12-16-30(33)17-14-24-23(18-30)8-9-26-25(24)13-15-29(3)27(20(2)32)10-11-28(26)29/h4-7,23-28,33H,8-11,13-15,17-18H2,1-3H3","""AuxInfo=1/0/N:1,26,23,6,32,5,33,16,17,28,29,8,20,13,21,9,12,31,2,25,7,4,15,14,19,18,24,30,22,10,3,27,11/E:(4,5)(6,7)/rA:33CCOCCCCCCCOCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s14s18;s19;s20;s21;s22;s22;s24;s25;d25;s24;s28;s18s22s29;s10s15;s7;s4d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-MRHNQQSAQWOBRD_on_P18507_WT,Low,ChEMBL30,CHEMBL3138433,CC(=O)c1ccc(C#CC2(O)CCC3C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,MRHNQQSAQWOBRD,MRHNQQSAQWOBRD-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-19(31)22-6-4-21(5-7-22)12-16-30(33)17-14-24-23(18-30)8-9-26-25(24)13-15-29(3)27(20(2)32)10-11-28(26)29/h4-7,23-28,33H,8-11,13-15,17-18H2,1-3H3","""AuxInfo=1/0/N:1,26,23,6,32,5,33,16,17,28,29,8,20,13,21,9,12,31,2,25,7,4,15,14,19,18,24,30,22,10,3,27,11/E:(4,5)(6,7)/rA:33CCOCCCCCCCOCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s14s18;s19;s20;s21;s22;s22;s24;s25;d25;s24;s28;s18s22s29;s10s15;s7;s4d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-MRHNQQSAQWOBRD_on_P47870_WT,Low,ChEMBL30,CHEMBL3138433,CC(=O)c1ccc(C#CC2(O)CCC3C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,MRHNQQSAQWOBRD,MRHNQQSAQWOBRD-UHFFFAOYSA-N,"InChI=1S/C30H38O3/c1-19(31)22-6-4-21(5-7-22)12-16-30(33)17-14-24-23(18-30)8-9-26-25(24)13-15-29(3)27(20(2)32)10-11-28(26)29/h4-7,23-28,33H,8-11,13-15,17-18H2,1-3H3","""AuxInfo=1/0/N:1,26,23,6,32,5,33,16,17,28,29,8,20,13,21,9,12,31,2,25,7,4,15,14,19,18,24,30,22,10,3,27,11/E:(4,5)(6,7)/rA:33CCOCCCCCCCOCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s14s18;s19;s20;s21;s22;s22;s24;s25;d25;s24;s28;s18s22s29;s10s15;s7;s4d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-MRIYQDALPQSCHI_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57908399;CHEMBL2334977,COc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,MRIYQDALPQSCHI,MRIYQDALPQSCHI-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-12-9-15(12)21(28)24-22-19(17-5-4-6-18(23-17)29-3)20(26-30-22)13-7-8-16-14(10-13)11-27(2)25-16/h4-8,10-12,15H,9H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:14,23,1,29,28,30,27,26,12,19,21,13,18,20,11,25,5,3,6,17,9,7,4,8,24,16,22,10,2,15/rA:30COCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:23374867,2013.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  7.444;  7.440,7.442,0.002,0.002,2.0,7.442,0.002
-MRIYQDALPQSCHI_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2334977;57908399,COc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,MRIYQDALPQSCHI,MRIYQDALPQSCHI-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-12-9-15(12)21(28)24-22-19(17-5-4-6-18(23-17)29-3)20(26-30-22)13-7-8-16-14(10-13)11-27(2)25-16/h4-8,10-12,15H,9H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:14,23,1,29,28,30,27,26,12,19,21,13,18,20,11,25,5,3,6,17,9,7,4,8,24,16,22,10,2,15/rA:30COCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545;PubChemAID:733653,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733653,2013,1;0,0,0,0,0;1,,=,  6.720;  6.721,6.72,0.001,0.001,2.0,6.72,0.001
-MRJISECQFHIMGI_on_P41594_WT,Low,ChEMBL30,CHEMBL61964,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(Cl)cc2)C1,MRJISECQFHIMGI,MRJISECQFHIMGI-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-8(2-4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:14,19,15,18,6,12,20,13,16,7,8,3,2,17,1,11,9,10,4,5/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MRJISECQFHIMGI_on_Q13255_WT,Low,ChEMBL30,CHEMBL61964,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(Cl)cc2)C1,MRJISECQFHIMGI,MRJISECQFHIMGI-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-8(2-4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:14,19,15,18,6,12,20,13,16,7,8,3,2,17,1,11,9,10,4,5/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MRJISECQFHIMGI_on_Q14416_WT,Low,ChEMBL30,CHEMBL61964,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(Cl)cc2)C1,MRJISECQFHIMGI,MRJISECQFHIMGI-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-8(2-4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:14,19,15,18,6,12,20,13,16,7,8,3,2,17,1,11,9,10,4,5/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MRJISECQFHIMGI_on_Q14832_WT,Low,ChEMBL30,CHEMBL61964,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(Cl)cc2)C1,MRJISECQFHIMGI,MRJISECQFHIMGI-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-8(2-4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:14,19,15,18,6,12,20,13,16,7,8,3,2,17,1,11,9,10,4,5/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCOOCCCOONCCCCCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s16;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-MRLACXAIJJPCKP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950814,Cc1csc(C#CC23CC4CC(C2)CC(NC(=O)c2nn(C)cc2)(C4)C3)n1,MRLACXAIJJPCKP,MRLACXAIJJPCKP-UHFFFAOYSA-N,"InChI=1S/C21H24N4OS/c1-14-12-27-18(22-14)3-5-20-8-15-7-16(9-20)11-21(10-15,13-20)23-19(26)17-4-6-25(2)24-17/h4,6,12,15-16H,7-11,13H2,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,22,6,24,7,23,11,9,13,25,14,3,26,2,10,12,19,5,17,8,15,27,16,20,21,18,4/E:(8,9)(10,11)(15,16)/rA:27CCCSCCCCCCCCCCCNCOCNNCCCCCN/rB:s1;d2;s3;s4;s5;t6;s7;s8;s9;s10;s11;s8s12;s12;s14;s15;s16;d17;s17;d19;s20;s21;s21;s19d23;s10s15;s8s15;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-MRMZJDLBFJOMCZ_on_O00222_WT,High,ChEMBL30,CHEMBL4087249,NC(CCP(=O)(O)C(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O,MRMZJDLBFJOMCZ,MRMZJDLBFJOMCZ-UHFFFAOYSA-N,"InChI=1S/C19H24N3O6P/c20-17(19(23)24)10-12-29(27,28)18(15-7-4-8-16(13-15)22(25)26)21-11-9-14-5-2-1-3-6-14/h1-8,13,17-18,21H,9-12,20H2,(H,23,24)(H,27,28)","""AuxInfo=1/1/N:15,14,16,20,13,17,19,21,11,3,10,4,26,12,18,22,2,8,27,1,9,23,28,29,24,25,6,7,5/E:(2,3)(5,6)(23,24)(25,26)(27,28)/CRV:22.5/rA:29NCCCPOOCNCCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s8;d18;s19;d20;s21;s22;d23;s23;s18d22;s2;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-MRMZJDLBFJOMCZ_on_Q14833_WT,High,ChEMBL30,CHEMBL4087249,NC(CCP(=O)(O)C(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O,MRMZJDLBFJOMCZ,MRMZJDLBFJOMCZ-UHFFFAOYSA-N,"InChI=1S/C19H24N3O6P/c20-17(19(23)24)10-12-29(27,28)18(15-7-4-8-16(13-15)22(25)26)21-11-9-14-5-2-1-3-6-14/h1-8,13,17-18,21H,9-12,20H2,(H,23,24)(H,27,28)","""AuxInfo=1/1/N:15,14,16,20,13,17,19,21,11,3,10,4,26,12,18,22,2,8,27,1,9,23,28,29,24,25,6,7,5/E:(2,3)(5,6)(23,24)(25,26)(27,28)/CRV:22.5/rA:29NCCCPOOCNCCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s8;d18;s19;d20;s21;s22;d23;s23;s18d22;s2;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-MRSVRCGKKOIUTM_on_Q14416_WT,High,ChEMBL30,CHEMBL3221833,CCCn1ccc2c(cccc2NCCc2cc(OC)ccc2)c1=O,MRSVRCGKKOIUTM,MRSVRCGKKOIUTM-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2/c1-3-13-23-14-11-18-19(21(23)24)8-5-9-20(18)22-12-10-16-6-4-7-17(15-16)25-2/h4-9,11,14-15,22H,3,10,12-13H2,1-2H3","""AuxInfo=1/0/N:1,20,2,22,10,23,21,9,11,15,6,14,3,5,17,16,18,7,8,12,24,13,4,25,19/rA:25CCCNCCCCCCCCNCCCCCOCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;s18;s19;d18;s21;s16d22;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-MRVYFOANPDTYBY_on_Q14573_WT,Medium,ChEMBL30,CHEMBL282059;CHEMBL23050,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,MRVYFOANPDTYBY,MRVYFOANPDTYBY-UHFFFAOYSA-N,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)","""AuxInfo=1/1/N:7,9,6,11,23,17,8,10,1,3,4,14,15,16,26,27,28,20,21,22,5,12,24,18,2,13,25,19/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12,13,14)(15,16,17,18,19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)(3,4)/rA:28OPOOOCCOCOCOPOOOCOPOOOCOPOOO/rB:d1;s2;s2;s2;s5;s6;s7;s7;s9;s9;s11;s12;d13;s13;s13;s11;s17;s18;d19;s19;s19;s6s17;s23;s24;d25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL697185,PMID:10197969,1999.0,PMID:10197969,1999,1,0,0,0,0,,=,  6.370;  6.210,6.29,0.08,0.08,2.0,6.29,0.08
-MRWHLXJCFGQNTP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112598,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1,MRWHLXJCFGQNTP,MRWHLXJCFGQNTP-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O2/c1-12-8-16(9-13(2)26-12)20-18-6-7-29-14(3)11-28(18)21(27-20)15-4-5-19(17(23)10-15)30-22(24)25/h4-5,8-10,14,22H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,23,6,18,5,14,20,24,21,22,30,26,13,9,19/E:(1,2)(8,9)(12,13)(24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-MRWOIHZAYHSOIU_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1808874;CHEMBL1808874;56670439,Cc1cc(C(=O)N2CCCC2c2c(C)cc(-c3cc(Cl)ccc3)nc2)no1,MRWOIHZAYHSOIU,MRWOIHZAYHSOIU-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O2/c1-13-9-18(15-5-3-6-16(22)11-15)23-12-17(13)20-7-4-8-25(20)21(26)19-10-14(2)27-24-19/h3,5-6,9-12,20H,4,7-8H2,1-2H3","""AuxInfo=1/0/N:14,1,22,9,23,21,10,8,15,3,18,25,13,2,17,19,12,16,4,11,5,20,24,26,7,6,27/rA:27CCCCCONCCCCCCCCCCCCClCCCNCNO/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;s13;d15;s16;d17;s18;s19;d19;s21;s17d22;s16;s12d24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  8.520;  6.820;  8.523,7.954,0.802,0.5670000000000001,3.0,8.52,0.003
-MSBAMIZLZZPGBH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71717011;CHEMBL2364957,CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2ccc3[nH]ncc3c2)ns1,MSBAMIZLZZPGBH,MSBAMIZLZZPGBH-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-9-15(12)21(29)25-22-19(17-5-4-6-18(24-17)28(2)3)20(27-30-22)13-7-8-16-14(10-13)11-23-26-16/h4-8,10-12,15H,9H2,1-3H3,(H,23,26)(H,25,29)","""AuxInfo=1/1/N:1,16,17,12,11,13,21,22,3,28,26,2,20,27,4,23,10,14,9,19,5,8,25,18,7,24,29,15,6,30/E:(2,3)/rA:30CCCCCONCCCCCCCNCCNCCCCCNNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;d25;s23s26;s20d27;d19;s8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:23374867,2013.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  7.328;  7.330,7.329,0.001,0.001,2.0,7.329,0.001
-MSBAMIZLZZPGBH_on_Q13255_WT,Low,ChEMBL30,CHEMBL2364957,CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2ccc3[nH]ncc3c2)ns1,MSBAMIZLZZPGBH,MSBAMIZLZZPGBH-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-9-15(12)21(29)25-22-19(17-5-4-6-18(24-17)28(2)3)20(27-30-22)13-7-8-16-14(10-13)11-23-26-16/h4-8,10-12,15H,9H2,1-3H3,(H,23,26)(H,25,29)","""AuxInfo=1/1/N:1,16,17,12,11,13,21,22,3,28,26,2,20,27,4,23,10,14,9,19,5,8,25,18,7,24,29,15,6,30/E:(2,3)/rA:30CCCCCONCCCCCCCNCCNCCCCCNNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;d25;s23s26;s20d27;d19;s8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-MSCYBWIUMIJJDT_on_Q13224_WT,High,ChEMBL30,CHEMBL3357787,c1ccc(CCCCNC2CCc3c(cccc3)CC2)cc1,MSCYBWIUMIJJDT,MSCYBWIUMIJJDT-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2","""AuxInfo=1/0/N:1,2,22,16,17,6,7,3,21,5,15,18,19,12,20,11,8,4,14,13,10,9/E:(2,3)(4,5)(8,9)(11,12)(13,14)(15,16)(19,20)/rA:22CCCCCCCCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s14;s10s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-MSDYIYDSWRIPTR_on_P14867_WT,Low,ChEMBL30,CHEMBL368919,CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2,MSDYIYDSWRIPTR,MSDYIYDSWRIPTR-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCOCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  9.638,9.638,0.0,0.0,1.0,9.638,0.0
-MSDYIYDSWRIPTR_on_P31644_WT,Low,ChEMBL30,CHEMBL368919,CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2,MSDYIYDSWRIPTR,MSDYIYDSWRIPTR-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCOCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  9.357,9.357000000000001,0.0,0.0,1.0,9.357000000000001,0.0
-MSDYIYDSWRIPTR_on_P34903_WT,Low,ChEMBL30,CHEMBL368919,CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2,MSDYIYDSWRIPTR,MSDYIYDSWRIPTR-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCOCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  9.921,9.921,0.0,0.0,1.0,9.921,0.0
-MSDYIYDSWRIPTR_on_P47869_WT,Low,ChEMBL30,CHEMBL368919,CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2,MSDYIYDSWRIPTR,MSDYIYDSWRIPTR-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCOCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-MSDYIYDSWRIPTR_on_Q16445_WT,Low,ChEMBL30,CHEMBL368919,CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2,MSDYIYDSWRIPTR,MSDYIYDSWRIPTR-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCOCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-MSFAMEBSEKIVDI_on_O00591_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_O14764_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P14867_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P18505_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P18507_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P28472_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P31644_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P34903_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P47869_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P47870_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P48169_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_P78334_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_Q16445_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFAMEBSEKIVDI_on_Q99928_WT,Low,ChEMBL30,CHEMBL91336,Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1,MSFAMEBSEKIVDI,MSFAMEBSEKIVDI-UHFFFAOYSA-N,"InChI=1S/C13H8N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h1-7H,(H,15,18)","""AuxInfo=1/1/N:8,7,16,9,6,15,17,4,5,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-MSFXHUHCIVALKI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL525075,CC1CN(Cc2ccc(-c3cnccc3)cc2)C(=O)O1,MSFXHUHCIVALKI,MSFXHUHCIVALKI-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-4-6-14(7-5-13)15-3-2-8-17-9-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,14,15,7,17,8,16,13,11,3,5,2,6,9,10,18,12,4,19,20/E:(4,5)(6,7)/rA:20CCCNCCCCCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s6d16;s4;d18;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-MSJYIZYVCUYMCU_on_Q12879_WT,Low,ChEMBL30,CHEMBL347753,c1ccc(CC2CCN(CCSc3n[nH]cn3)CC2)cc1,MSJYIZYVCUYMCU,MSJYIZYVCUYMCU-UHFFFAOYSA-N,"InChI=1S/C16H22N4S/c1-2-4-14(5-3-1)12-15-6-8-20(9-7-15)10-11-21-16-17-13-18-19-16/h1-5,13,15H,6-12H2,(H,17,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,8,18,10,11,5,16,4,6,13,17,15,14,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCCCCCCNCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MSJYIZYVCUYMCU_on_Q13224_WT,Medium,ChEMBL30,CHEMBL347753,c1ccc(CC2CCN(CCSc3n[nH]cn3)CC2)cc1,MSJYIZYVCUYMCU,MSJYIZYVCUYMCU-UHFFFAOYSA-N,"InChI=1S/C16H22N4S/c1-2-4-14(5-3-1)12-15-6-8-20(9-7-15)10-11-21-16-17-13-18-19-16/h1-5,13,15H,6-12H2,(H,17,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,8,18,10,11,5,16,4,6,13,17,15,14,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCCCCCCNCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-MSJYIZYVCUYMCU_on_Q14957_WT,Low,ChEMBL30,CHEMBL347753,c1ccc(CC2CCN(CCSc3n[nH]cn3)CC2)cc1,MSJYIZYVCUYMCU,MSJYIZYVCUYMCU-UHFFFAOYSA-N,"InChI=1S/C16H22N4S/c1-2-4-14(5-3-1)12-15-6-8-20(9-7-15)10-11-21-16-17-13-18-19-16/h1-5,13,15H,6-12H2,(H,17,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,8,18,10,11,5,16,4,6,13,17,15,14,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCCCCCCNCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-MSKHZKJIIIDYDG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198992,c1cc2c(cc1)c1c(c[n+](CCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,MSKHZKJIIIDYDG,MSKHZKJIIIDYDG-UHFFFAOYSA-P,"InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2","""AuxInfo=1/5/N:13,14,6,27,1,26,12,15,5,28,2,25,31,21,11,16,30,22,9,18,4,23,7,20,3,24,8,19,32,29,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32CCCCCCCCCN+CCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s20;d23;s24;d25;s26;s23d27;s19s24;s10;s7d30;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105655;CHEMBL1105662;CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1;0;1,0,0,0;1;0,0,,=,  5.190;  4.700;  5.660,5.183,0.392,0.27699999999999997,3.0,5.19,0.47
-MSKHZKJIIIDYDG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198992,c1cc2c(cc1)c1c(c[n+](CCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,MSKHZKJIIIDYDG,MSKHZKJIIIDYDG-UHFFFAOYSA-P,"InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2","""AuxInfo=1/5/N:13,14,6,27,1,26,12,15,5,28,2,25,31,21,11,16,30,22,9,18,4,23,7,20,3,24,8,19,32,29,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32CCCCCCCCCN+CCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s20;d23;s24;d25;s26;s23d27;s19s24;s10;s7d30;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-MSKHZKJIIIDYDG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198992,c1cc2c(cc1)c1c(c[n+](CCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,MSKHZKJIIIDYDG,MSKHZKJIIIDYDG-UHFFFAOYSA-P,"InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2","""AuxInfo=1/5/N:13,14,6,27,1,26,12,15,5,28,2,25,31,21,11,16,30,22,9,18,4,23,7,20,3,24,8,19,32,29,10,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32CCCCCCCCCN+CCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s20;d23;s24;d25;s26;s23d27;s19s24;s10;s7d30;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105662;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,0;1,0,0,1;0,0,,=,  4.700;  5.190,4.945,0.245,0.245,2.0,4.945,0.245
-MSLWKGBWCGLLRY_on_Q13255_WT,High,ChEMBL30,CHEMBL3758364,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1,MSLWKGBWCGLLRY,MSLWKGBWCGLLRY-UHFFFAOYSA-N,"InChI=1S/C19H13ClN4O3/c1-23-9-8-21-16(23)17(25)22-11-6-7-15(14(20)10-11)24-18(26)12-4-2-3-5-13(12)19(24)27/h2-10H,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,21,19,22,11,12,4,3,27,10,18,17,25,13,6,7,23,15,26,5,9,2,14,8,24,16/E:(2,3)(4,5)(12,13)(18,19)(26,27)/rA:27CNCCNCCONCCCCNCOCCCCCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.430;  6.450,6.44,0.01,0.01,2.0,6.44,0.01
-MSNGUHAVZJGMLL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL320292,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OCc2ccccc2)ccc1,MSNGUHAVZJGMLL,MSNGUHAVZJGMLL-UHFFFAOYSA-N,"InChI=1S/C21H19F3N2O3S/c22-21(23,24)16-30(27,28)26(14-18-8-5-11-25-13-18)19-9-4-10-20(12-19)29-15-17-6-2-1-3-7-17/h1-13H,14-16H2","""AuxInfo=1/0/N:25,24,26,29,15,23,27,16,30,28,14,18,12,10,21,4,22,11,17,19,5,6,7,8,13,9,1,3,20,2/E:(2,3)(6,7)(22,23,24)(27,28)/CRV:30.6/rA:30OSOCCFFFNCCCNCCCCCCOCCCCCCCCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;d19;s28;s17d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-MSOYXZGDANCFCO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2011873;67181122,CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,MSOYXZGDANCFCO,MSOYXZGDANCFCO-UHFFFAOYSA-N,"InChI=1S/C17H20N2O2S/c1-4-21-13-7-5-12(6-8-13)15-11(3)17(22-19-15)18-16(20)14-9-10(14)2/h5-8,10,14H,4,9H2,1-3H3,(H,18,20)","""AuxInfo=1/1/N:1,18,20,2,6,21,5,22,16,17,19,7,4,15,8,13,11,12,9,14,3,10/E:(5,6)(7,8)/rA:22CCOCCCCCNSCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s15s16;s17;s8d11;s19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181;PubChemAID:652690,PMID:22386665,2012.0,PMID:22386665;PubChemAID:652690,2012;2013,1;0,0,0,0,0;1,,=,  7.720;  7.721,7.72,0.001,0.001,2.0,7.72,0.001
-MSOYXZGDANCFCO_on_Q13255_WT,High,ChEMBL30,CHEMBL2011873,CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,MSOYXZGDANCFCO,MSOYXZGDANCFCO-UHFFFAOYSA-N,"InChI=1S/C17H20N2O2S/c1-4-21-13-7-5-12(6-8-13)15-11(3)17(22-19-15)18-16(20)14-9-10(14)2/h5-8,10,14H,4,9H2,1-3H3,(H,18,20)","""AuxInfo=1/1/N:1,18,20,2,6,21,5,22,16,17,19,7,4,15,8,13,11,12,9,14,3,10/E:(5,6)(7,8)/rA:22CCOCCCCCNSCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s15s16;s17;s8d11;s19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-MSRIHXQVLZLNCJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL61895,CN(c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)S(C)(=O)=O,MSRIHXQVLZLNCJ,MSRIHXQVLZLNCJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-25(29(2,26)27)17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,27,20,19,21,18,22,13,24,8,14,23,7,11,4,12,3,17,15,6,5,10,9,25,2,28,29,16,26/E:(4,5)(6,7)(8,9)(11,12)(26,27)/CRV:29.6/rA:29CNCCCCCCNCCCCCCOCCCCCCCCNSCOO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;s2;s26;d26;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.600;  6.330,6.965,0.635,0.635,2.0,6.965,0.635
-MSRIHXQVLZLNCJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL61895,CN(c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)S(C)(=O)=O,MSRIHXQVLZLNCJ,MSRIHXQVLZLNCJ-UHFFFAOYSA-N,"InChI=1S/C22H21N3O3S/c1-25(29(2,26)27)17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,27,20,19,21,18,22,13,24,8,14,23,7,11,4,12,3,17,15,6,5,10,9,25,2,28,29,16,26/E:(4,5)(6,7)(8,9)(11,12)(26,27)/CRV:29.6/rA:29CNCCCCCCNCCCCCCOCCCCCCCCNSCOO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;s2;s26;d26;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.600;  6.330,6.965,0.635,0.635,2.0,6.965,0.635
-MSRNVNZNXODLKA_on_P18507_WT,Low,ChEMBL30,CHEMBL584095,Clc1c2Cn3nccc3-c3c(cccc3)-n2cn1,MSRNVNZNXODLKA,MSRNVNZNXODLKA-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4/c14-13-12-7-18-11(5-6-16-18)9-3-1-2-4-10(9)17(12)8-15-13/h1-6,8H,7H2","""AuxInfo=1/0/N:14,13,15,12,8,7,4,17,10,11,9,3,2,1,18,6,16,5/rA:18ClCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-MSRNVNZNXODLKA_on_P28472_WT,Low,ChEMBL30,CHEMBL584095,Clc1c2Cn3nccc3-c3c(cccc3)-n2cn1,MSRNVNZNXODLKA,MSRNVNZNXODLKA-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4/c14-13-12-7-18-11(5-6-16-18)9-3-1-2-4-10(9)17(12)8-15-13/h1-6,8H,7H2","""AuxInfo=1/0/N:14,13,15,12,8,7,4,17,10,11,9,3,2,1,18,6,16,5/rA:18ClCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-MSRNVNZNXODLKA_on_P31644_WT,Low,ChEMBL30,CHEMBL584095,Clc1c2Cn3nccc3-c3c(cccc3)-n2cn1,MSRNVNZNXODLKA,MSRNVNZNXODLKA-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4/c14-13-12-7-18-11(5-6-16-18)9-3-1-2-4-10(9)17(12)8-15-13/h1-6,8H,7H2","""AuxInfo=1/0/N:14,13,15,12,8,7,4,17,10,11,9,3,2,1,18,6,16,5/rA:18ClCCCNNCCCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-MSSJDNLPCMINCW_on_P14867_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MSSJDNLPCMINCW_on_P18507_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.480;  7.160;  6.780,7.473,0.7290000000000001,0.515,3.0,7.16,0.38
-MSSJDNLPCMINCW_on_P28472_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.480;  6.780;  7.160,7.473,0.7290000000000001,0.515,3.0,7.16,0.38
-MSSJDNLPCMINCW_on_P31644_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-MSSJDNLPCMINCW_on_P34903_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-MSSJDNLPCMINCW_on_P47869_WT,Low,ChEMBL30,CHEMBL421257,Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1,MSSJDNLPCMINCW,MSSJDNLPCMINCW-UHFFFAOYSA-N,"InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,4,20,3,21,5,31,33,30,34,19,17,7,2,32,29,16,6,27,28,15,26,12,9,13,18,35,14,25,24,10,22,11,8,23/E:(7,8)(9,10)/rA:35CCCCCCCOCNNCCNCCCNCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-MSSYTYNZHGUWHU_on_Q14416_WT,High,ChEMBL30,CHEMBL4068189,NC1(C(=O)O)CC(NC(=O)c2ccccc2O)C2C(C(=O)O)C21,MSSYTYNZHGUWHU,MSSYTYNZHGUWHU-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-7(9-10(11(9)15)13(20)21)17-12(19)6-3-1-2-4-8(6)18/h1-4,7,9-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,7,16,18,19,23,9,20,3,2,1,8,17,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  7.240;  8.130,7.685,0.445,0.445,2.0,7.685,0.445
-MSSYTYNZHGUWHU_on_Q14832_WT,High,ChEMBL30,CHEMBL4068189,NC1(C(=O)O)CC(NC(=O)c2ccccc2O)C2C(C(=O)O)C21,MSSYTYNZHGUWHU,MSSYTYNZHGUWHU-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-7(9-10(11(9)15)13(20)21)17-12(19)6-3-1-2-4-8(6)18/h1-4,7,9-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,7,16,18,19,23,9,20,3,2,1,8,17,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  9.770;  8.750,9.26,0.51,0.51,2.0,9.26,0.51
-MSXJZHUTIDWQBZ_on_O15399_WT,Low,ChEMBL30,CHEMBL195973;CHEMBL195973;CHEMBL197467;CHEMBL195973;CHEMBL194107;CHEMBL197467;CHEMBL194598;CHEMBL197467;CHEMBL194107;CHEMBL194107;CHEMBL194598;CHEMBL194598,COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:23,1,10,16,21,17,20,25,24,4,7,12,15,5,18,6,11,13,3,8,19,22,14,2,9/E:(4,5)(6,7)/rA:25COCCCCCCOCCCCOCCCCClCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s6;s11;s12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11;s22;s22;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828291;CHEMBL828291;CHEMBL828291;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,0;1;0;1;1;1;1;1;1;0;0;1,0,0,1;0;1;0;0;0;0;0;0;1;1;0,0,,=,  5.570;  4.350;  6.300;  4.280;  4.620;  7.230;  4.000;  6.020;  4.510;  6.960;  8.150;  4.250,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_O60391_WT,Low,ChEMBL30,CHEMBL195973;CHEMBL197467;CHEMBL197467;CHEMBL194107;CHEMBL195973;CHEMBL194598;CHEMBL194107;CHEMBL194598;CHEMBL194107;CHEMBL197467;CHEMBL194598;CHEMBL195973,COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:23,1,10,16,21,17,20,25,24,4,7,12,15,5,18,6,11,13,3,8,19,22,14,2,9/E:(4,5)(6,7)/rA:25COCCCCCCOCCCCOCCCCClCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s6;s11;s12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11;s22;s22;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828291;CHEMBL828706;CHEMBL828291;CHEMBL828291;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;0;1;1;1;1;1;0;0;0,0,0,0;0;0;1;0;0;0;0;0;1;1;1,0,,=,  4.350;  6.020;  7.230;  6.960;  4.280;  4.250;  4.620;  4.000;  4.510;  6.300;  8.150;  5.570,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL197467;CHEMBL195973;CHEMBL194107;CHEMBL194107;CHEMBL194107;CHEMBL195973;CHEMBL197467;CHEMBL194598;CHEMBL197467;CHEMBL195973;CHEMBL194598;CHEMBL194598,COc1c(OC)cc2c(c1)CCN(C)C2CC(O)c1ccc(Cl)cc1,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:14,1,6,20,25,21,24,11,12,10,7,16,19,9,22,8,15,17,3,4,23,13,18,2,5/E:(4,5)(6,7)/rA:25COCCOCCCCCCCNCCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s13;s8s13;s15;s16;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL828291;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828291;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;0;1;1;0;1;1;0;1;1;0,0,0,0;0;1;0;0;1;0;0;1;0;0;1,0,,=,  7.230;  4.280;  6.960;  4.510;  4.620;  5.570;  6.020;  4.250;  6.300;  4.350;  4.000;  8.150,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL194107;CHEMBL194107;CHEMBL195973;CHEMBL197467;CHEMBL195973;CHEMBL194598;CHEMBL197467;CHEMBL197467;CHEMBL194598;CHEMBL195973;CHEMBL194598;CHEMBL194107,COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:23,1,10,16,21,17,20,25,24,4,7,12,15,5,18,6,11,13,3,8,19,22,14,2,9/E:(4,5)(6,7)/rA:25COCCCCCCOCCCCOCCCCClCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s6;s11;s12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11;s22;s22;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828291;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;1;1;0;0;1;1;0;1;1,0,0,0;1;0;0;0;1;1;0;0;1;0;0,0,,=,  4.510;  6.960;  4.280;  7.230;  4.350;  8.150;  6.300;  6.020;  4.250;  5.570;  4.000;  4.620,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL197467;CHEMBL195973;CHEMBL197467;CHEMBL197467;CHEMBL194107;CHEMBL194107;CHEMBL195973;CHEMBL194598;CHEMBL194598;CHEMBL195973;CHEMBL194598;CHEMBL194107,COc1c(OC)cc2c(c1)CCN(C)C2CC(O)c1ccc(Cl)cc1,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:14,1,6,20,25,21,24,11,12,10,7,16,19,9,22,8,15,17,3,4,23,13,18,2,5/E:(4,5)(6,7)/rA:25COCCOCCCCCCCNCCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s13;s8s13;s15;s16;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;0;1;0;1;1;1;0;0;1,0,0,0;0;0;1;0;1;0;0;0;1;1;0,0,,=,  6.020;  4.350;  7.230;  6.300;  4.510;  6.960;  4.280;  4.250;  4.000;  5.570;  8.150;  4.620,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL194598;CHEMBL194107;CHEMBL195973;CHEMBL197467;CHEMBL197467;CHEMBL195973;CHEMBL194107;CHEMBL194598;CHEMBL197467;CHEMBL194107;CHEMBL195973;CHEMBL194598,COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:23,1,10,16,21,17,20,25,24,4,7,12,15,5,18,6,11,13,3,8,19,22,14,2,9/E:(4,5)(6,7)/rA:25COCCCCCCOCCCCOCCCCClCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s6;s11;s12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11;s22;s22;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828291;CHEMBL828291;CHEMBL828291;CHEMBL828706;CHEMBL828706;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;1;0;0;1;1;1;1;1;0,0,0,0;1;0;0;1;1;0;0;0;0;0;1,0,,=,  4.250;  6.960;  4.280;  6.020;  6.300;  5.570;  4.620;  4.000;  7.230;  4.510;  4.350;  8.150,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSXJZHUTIDWQBZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL195973;CHEMBL194107;CHEMBL197467;CHEMBL194598;CHEMBL194598;CHEMBL194598;CHEMBL195973;CHEMBL197467;CHEMBL197467;CHEMBL195973;CHEMBL194107;CHEMBL194107,COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2,MSXJZHUTIDWQBZ,MSXJZHUTIDWQBZ-UHFFFAOYSA-N,"InChI=1S/C20H24ClNO3/c1-22-9-8-14-10-19(24-2)20(25-3)11-16(14)17(22)12-18(23)13-4-6-15(21)7-5-13/h4-7,10-11,17-18,23H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:23,1,10,16,21,17,20,25,24,4,7,12,15,5,18,6,11,13,3,8,19,22,14,2,9/E:(4,5)(6,7)/rA:25COCCCCCCOCCCCOCCCCClCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s6;s11;s12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11;s22;s22;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828291;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;0;1;1;0;1;0;1;1;0,0,0,0;0;0;1;0;0;1;0;1;0;0;1,0,,=,  4.350;  4.510;  7.230;  8.150;  4.250;  4.000;  5.570;  6.020;  6.300;  4.280;  4.620;  6.960,5.52,1.337,0.40299999999999997,12.0,5.095,0.885
-MSYLWIDFGZZKEY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107640,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1OC(F)(F)F,MSYLWIDFGZZKEY,MSYLWIDFGZZKEY-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-8-16(9-14(2)28-13)21-18-6-7-32-17(11-24)12-30(18)22(29-21)15-4-5-19(31-3)20(10-15)33-23(25,26)27/h4-5,8-10,17H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:13,16,1,5,4,19,20,11,17,27,23,25,12,15,6,10,22,18,3,28,9,7,30,24,31,32,33,14,8,26,2,21,29/E:(1,2)(8,9)(13,14)(25,26,27)/rA:33COCCCCCNCCCCCNCCCCCCOCCFCNCCOCFFF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s23;s22;s7s18s25;s6;s3d27;s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-MSZAMNQPWRCIKI_on_P41594_WT,High,ChEMBL30,CHEMBL1289466,O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2Cl)CC1,MSZAMNQPWRCIKI,MSZAMNQPWRCIKI-UHFFFAOYSA-N,"InChI=1S/C19H20Cl2N2O2/c20-16-1-2-17(18(21)11-16)15-5-9-23(10-6-15)19(24)13-25-12-14-3-7-22-8-4-14/h1-4,7-8,11,15H,5-6,9-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,14,24,8,10,13,25,21,5,3,6,15,19,16,22,2,20,23,9,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCCCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-MTDRATDYQYLXOK_on_P41594_WT,Low,ChEMBL30,CHEMBL1093684,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(-n3cccc3)n4)c2=O)cc1,MTDRATDYQYLXOK,MTDRATDYQYLXOK-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS/c1-11-4-6-12(7-5-11)25-10-21-14-13-16(20)22-19(24-8-2-3-9-24)23-17(13)27-15(14)18(25)26/h2-10H,1H3,(H2,20,22,23)","""AuxInfo=1/1/N:1,20,21,3,27,4,26,19,22,7,2,5,13,9,10,14,12,24,17,15,8,16,23,18,6,25,11/E:(2,3)(4,5)(6,7)(8,9)/rA:27CCCCCNCNCCSCCCNNCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;d19;s20;s18d21;s12d17;s6s10;d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MTDRATDYQYLXOK_on_Q13255_WT,Low,ChEMBL30,CHEMBL1093684,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(-n3cccc3)n4)c2=O)cc1,MTDRATDYQYLXOK,MTDRATDYQYLXOK-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS/c1-11-4-6-12(7-5-11)25-10-21-14-13-16(20)22-19(24-8-2-3-9-24)23-17(13)27-15(14)18(25)26/h2-10H,1H3,(H2,20,22,23)","""AuxInfo=1/1/N:1,20,21,3,27,4,26,19,22,7,2,5,13,9,10,14,12,24,17,15,8,16,23,18,6,25,11/E:(2,3)(4,5)(6,7)(8,9)/rA:27CCCCCNCNCCSCCCNNCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s18;d19;s20;s18d21;s12d17;s6s10;d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MTELUFOIWGSEFF_on_Q14833_WT,High,ChEMBL30,CHEMBL1672238,O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1)c1ncccc1,MTELUFOIWGSEFF,MTELUFOIWGSEFF-UHFFFAOYSA-N,"InChI=1S/C19H13Cl2N3O2/c20-14-6-2-1-5-13(14)18(25)24-16-9-8-12(11-15(16)21)23-19(26)17-7-3-4-10-22-17/h1-11H,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:13,14,25,24,12,15,26,5,6,23,20,4,11,16,18,7,21,9,2,17,19,22,3,8,10,1/rA:26OCNCCCCNCOCCCCCCClCClCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s4d18;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PubChemAID:2197,2009.0,PMID:21247167,2011,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-MTHGQCFFYDYWFQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3980020,O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2)nc1)c1ccccn1,MTHGQCFFYDYWFQ,MTHGQCFFYDYWFQ-UHFFFAOYSA-N,"InChI=1S/C15H10F2N4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,11,12,24,17,19,5,4,10,13,15,20,2,14,16,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCFCFCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-MTJBRWBGLFWUGE_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46215704;CHEMBL2152119,OC1CCC(n2ccc3cc(-c4c(Cl)c5ncc(CC(F)(F)F)n5cc4)ccc32)CC1,MTJBRWBGLFWUGE,MTJBRWBGLFWUGE-UHFFFAOYSA-N,"InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2","""AuxInfo=1/0/N:27,4,30,3,31,28,8,26,7,25,10,19,17,11,9,5,18,2,12,29,13,15,20,14,21,22,23,16,6,24,1/E:(2,3)(4,5)(25,26,27)/rA:31OCCCCNCCCCCCCClCNCCCCFFFNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s13;d15;s16;d17;s18;s19;s20;s20;s20;s15s18;s24;s12d25;d11;s27;s6s9d28;s5;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:691032;CHEMBL2156244,PMID:22352782,2012.0,PubChemAID:691032;PMID:22352782,2013;2012,0,0;1,0,0,1;0,,=,  6.796;  6.800,6.797999999999999,0.002,0.002,2.0,6.797999999999999,0.002
-MTJBRWBGLFWUGE_on_Q14831_WT,High,ChEMBL30,CHEMBL2152119,OC1CCC(n2ccc3c2ccc(-c2c(Cl)c4ncc(CC(F)(F)F)n4cc2)c3)CC1,MTJBRWBGLFWUGE,MTJBRWBGLFWUGE-UHFFFAOYSA-N,"InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2","""AuxInfo=1/0/N:12,4,30,3,31,11,8,28,7,27,29,21,19,13,9,5,20,2,14,10,15,17,22,16,23,24,25,18,6,26,1/E:(2,3)(4,5)(25,26,27)/rA:31OCCCCNCCCCCCCCCClCNCCCCFFFNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;d19;s20;s21;s22;s22;s22;s17s20;s26;s14d27;s9d13;s5;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2156251,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-MTNLFTKJHWYWQV_on_P14867_WT,Low,ChEMBL30,CHEMBL324134,Oc1c2cnc3c(CCCC3)c2nn1-c1ncccc1,MTNLFTKJHWYWQV,MTNLFTKJHWYWQV-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,20H,1-2,5-6H2","""AuxInfo=1/0/N:9,10,19,18,8,11,20,17,4,7,3,6,15,12,2,16,5,13,14,1/rA:20OCCCNCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.240,9.24,0.0,0.0,1.0,9.24,0.0
-MTNLFTKJHWYWQV_on_P18507_WT,Low,ChEMBL30,CHEMBL324134,Oc1c2cnc3c(CCCC3)c2nn1-c1ncccc1,MTNLFTKJHWYWQV,MTNLFTKJHWYWQV-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,20H,1-2,5-6H2","""AuxInfo=1/0/N:9,10,19,18,8,11,20,17,4,7,3,6,15,12,2,16,5,13,14,1/rA:20OCCCNCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.940;  9.240,9.09,0.15,0.15,2.0,9.09,0.15
-MTNLFTKJHWYWQV_on_P28472_WT,Low,ChEMBL30,CHEMBL324134,Oc1c2cnc3c(CCCC3)c2nn1-c1ncccc1,MTNLFTKJHWYWQV,MTNLFTKJHWYWQV-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,20H,1-2,5-6H2","""AuxInfo=1/0/N:9,10,19,18,8,11,20,17,4,7,3,6,15,12,2,16,5,13,14,1/rA:20OCCCNCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.240;  8.940,9.09,0.15,0.15,2.0,9.09,0.15
-MTNLFTKJHWYWQV_on_P34903_WT,Low,ChEMBL30,CHEMBL324134,Oc1c2cnc3c(CCCC3)c2nn1-c1ncccc1,MTNLFTKJHWYWQV,MTNLFTKJHWYWQV-UHFFFAOYSA-N,"InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,20H,1-2,5-6H2","""AuxInfo=1/0/N:9,10,19,18,8,11,20,17,4,7,3,6,15,12,2,16,5,13,14,1/rA:20OCCCNCCCCCCCNNCNCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.940,8.94,0.0,0.0,1.0,8.94,0.0
-MTOXGGJOEHOEJT_on_P14867_WT,Low,ChEMBL30,CHEMBL202768,N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,MTOXGGJOEHOEJT,MTOXGGJOEHOEJT-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:4,14,5,13,26,27,29,8,2,17,15,3,6,9,10,11,16,21,19,22,7,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCFCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-MTOXGGJOEHOEJT_on_P18507_WT,Low,ChEMBL30,CHEMBL202768,N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,MTOXGGJOEHOEJT,MTOXGGJOEHOEJT-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:4,14,5,13,26,27,29,8,2,17,15,3,6,9,10,11,16,21,19,22,7,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCFCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004;CHEMBL864005;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.210;  9.590;  9.190,9.33,0.184,0.13,3.0,9.21,0.02
-MTOXGGJOEHOEJT_on_P28472_WT,Low,ChEMBL30,CHEMBL202768,N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,MTOXGGJOEHOEJT,MTOXGGJOEHOEJT-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:4,14,5,13,26,27,29,8,2,17,15,3,6,9,10,11,16,21,19,22,7,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCFCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864002;CHEMBL864004;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.190;  9.210;  9.590,9.33,0.184,0.13,3.0,9.21,0.02
-MTOXGGJOEHOEJT_on_P31644_WT,Low,ChEMBL30,CHEMBL202768,N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,MTOXGGJOEHOEJT,MTOXGGJOEHOEJT-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:4,14,5,13,26,27,29,8,2,17,15,3,6,9,10,11,16,21,19,22,7,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCFCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.590,9.59,0.0,0.0,1.0,9.59,0.0
-MTOXGGJOEHOEJT_on_P34903_WT,Low,ChEMBL30,CHEMBL202768,N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,MTOXGGJOEHOEJT,MTOXGGJOEHOEJT-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:4,14,5,13,26,27,29,8,2,17,15,3,6,9,10,11,16,21,19,22,7,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCCFCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-MTTXNYIRSMETRQ_on_O15399_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MTTXNYIRSMETRQ_on_O60391_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MTTXNYIRSMETRQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MTTXNYIRSMETRQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970;  7.280,7.125,0.155,0.155,2.0,7.125,0.155
-MTTXNYIRSMETRQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MTTXNYIRSMETRQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970;  7.280,7.125,0.155,0.155,2.0,7.125,0.155
-MTTXNYIRSMETRQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL124516,O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1,MTTXNYIRSMETRQ,MTTXNYIRSMETRQ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,13,4,10,19,17,5,11,3,8,6,2,7,14,12,9,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCNCOCCOCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s6;s8;d8;s10;s11;s5d11;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MTWUOOXRRZRVAE_on_P41594_WT,Low,ChEMBL30,CHEMBL1784056,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,MTWUOOXRRZRVAE,MTWUOOXRRZRVAE-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2S/c1-11(2)8-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-4-6-13(26-3)7-5-12/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,23,19,25,20,24,4,10,16,2,18,21,7,14,13,6,8,26,5,11,9,15,17,27,22,12/E:(4,5)(6,7)/rA:27CCCCNCCCNCNSCCNCNCCCCOCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MTWUOOXRRZRVAE_on_Q13255_WT,High,ChEMBL30,CHEMBL1784056,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,MTWUOOXRRZRVAE,MTWUOOXRRZRVAE-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2S/c1-11(2)8-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-4-6-13(26-3)7-5-12/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,23,19,25,20,24,4,10,16,2,18,21,7,14,13,6,8,26,5,11,9,15,17,27,22,12/E:(4,5)(6,7)/rA:27CCCCNCCCNCNSCCNCNCCCCOCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-MUEYHASFHPHDEC_on_P41594_WT,Medium,ChEMBL30,CHEMBL1770167,Cc1cc(-c2noc(C3CCCCN3C(=O)c3ccc(F)c(F)c3)n2)ccc1,MUEYHASFHPHDEC,MUEYHASFHPHDEC-UHFFFAOYSA-N,"InChI=1S/C21H19F2N3O2/c1-13-5-4-6-14(11-13)19-24-20(28-25-19)18-7-2-3-10-26(18)21(27)15-8-9-16(22)17(23)12-15/h4-6,8-9,11-12,18H,2-3,7,10H2,1H3","""AuxInfo=1/0/N:1,11,12,27,28,26,10,18,19,13,3,24,2,4,17,20,22,9,5,8,15,21,23,25,6,14,16,7/rA:28CCCCCNOCCCCCCNCOCCCCFCFCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;d17;s18;d19;s20;s20;s22;s17d22;s5d8;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MUGLKLPMORPOEB_on_P41594_WT,High,ChEMBL30,CHEMBL380710,C#Cc1c(C#Cc2csc(C)n2)cccn1,MUGLKLPMORPOEB,MUGLKLPMORPOEB-UHFFFAOYSA-N,"InChI=1S/C13H8N2S/c1-3-13-11(5-4-8-14-13)6-7-12-9-16-10(2)15-12/h1,4-5,8-9H,2H3","""AuxInfo=1/0/N:1,11,2,14,13,5,6,15,8,10,4,7,3,16,12,9/rA:16CCCCCCCCSCCNCCCN/rB:t1;s2;d3;s4;t5;s6;d7;s8;s9;s10;s7d10;s4;d13;s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-MUKDHQLJSDZPCV_on_Q14833_WT,High,ChEMBL30,CHEMBL3808963,Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1,MUKDHQLJSDZPCV,MUKDHQLJSDZPCV-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3S/c1-13-5-4-6-15(11-13)24(22,23)20-10-8-14(12-20)19-17(21)16-7-2-3-9-18-16/h2-12H,1H3,(H,19,21)","""AuxInfo=1/1/N:1,17,18,23,24,22,16,10,19,9,3,21,2,11,4,15,13,20,12,8,14,6,7,5/E:(22,23)/CRV:24.6/rA:24CCCCSOONCCCNCOCCCCCNCCCC/rB:s1;d2;s3;s4;d5;d5;s5;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s8d11;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.980;  6.980,6.98,0.0,0.0,2.0,6.98,0.0
-MUPBNGHEMAZLKT_on_P41594_WT,Low,ChEMBL30,CHEMBL2349530,Cc1nc(NC(=O)c2c3CCCCc3nn2C)ccc1,MUPBNGHEMAZLKT,MUPBNGHEMAZLKT-UHFFFAOYSA-N,"InChI=1S/C15H18N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)18-19(14)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)","""AuxInfo=1/1/N:1,17,11,12,19,20,10,13,18,2,9,14,4,8,6,3,5,15,16,7/rA:20CCNCNCOCCCCCCCNNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s11;s12;s9s13;d14;s8s15;s16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-MUPIUJYENVWEKT_on_O00591_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_O14764_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P14867_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P18505_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P18507_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P28472_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P31644_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P34903_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P47869_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P47870_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P48169_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_P78334_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_Q16445_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPIUJYENVWEKT_on_Q99928_WT,Low,ChEMBL30,CHEMBL184150,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1,MUPIUJYENVWEKT,MUPIUJYENVWEKT-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-4-3-5-10(6-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:24,1,26,25,27,22,9,15,23,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MUPLYZRZMPPYMK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290052,OC1CN(CCCOc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,MUPLYZRZMPPYMK,MUPLYZRZMPPYMK-UHFFFAOYSA-N,"InChI=1S/C26H29NO3/c28-26-19-27(15-7-17-29-23-10-5-2-6-11-23)16-14-22-18-24(12-13-25(22)26)30-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:27,12,26,28,11,13,6,25,29,10,14,20,19,16,5,15,7,30,3,23,24,17,9,21,18,2,4,1,8,22/E:(3,4)(5,6)(8,9)(10,11)/rA:30OCCNCCCOCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-MUPLYZRZMPPYMK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290052,OC1CN(CCCOc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2,MUPLYZRZMPPYMK,MUPLYZRZMPPYMK-UHFFFAOYSA-N,"InChI=1S/C26H29NO3/c28-26-19-27(15-7-17-29-23-10-5-2-6-11-23)16-14-22-18-24(12-13-25(22)26)30-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:27,12,26,28,11,13,6,25,29,10,14,20,19,16,5,15,7,30,3,23,24,17,9,21,18,2,4,1,8,22/E:(3,4)(5,6)(8,9)(10,11)/rA:30OCCNCCCOCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4;s15;s16;s2d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-MUPZFNJRWTYJIF_on_Q13255_WT,High,ChEMBL30,CHEMBL1951881,CCNc1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O,MUPZFNJRWTYJIF,MUPZFNJRWTYJIF-UHFFFAOYSA-N,"InChI=1S/C18H14BrN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,3,7,15,24,10/E:(3,4)(5,6)/rA:24CCNCCCNCCSCCCCNCCCCBrCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-MUSKOQZGXGMJSV_on_Q05586_WT,Medium,ChEMBL30,CHEMBL350654,CC(=O)c1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1,MUSKOQZGXGMJSV,MUSKOQZGXGMJSV-UHFFFAOYSA-N,"InChI=1S/C21H15Cl2N3O5/c1-10(27)11-3-2-4-13(5-11)26-17(28)9-25(21(26)31)8-14-18-15(23)6-12(22)7-16(18)24-19(14)20(29)30/h2-7,24H,8-9H2,1H3,(H,29,30)","""AuxInfo=1/1/N:1,6,5,7,31,25,22,14,12,2,4,23,8,15,26,21,10,28,16,17,29,24,27,20,13,9,3,11,18,19,30/E:(29,30)/rA:31CCOCCCCCNCOCNCCCCOONCCCClCCClCCOC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s17;s16;s20;d21;s22;s23;d23;s25;s26;s15s21d26;s9s13;d29;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MUWDZAMFYDEHDH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3330812,C=Cc1cccc(-n2cnc3c(scc3-c3ccccc3)c2=O)c1,MUWDZAMFYDEHDH,MUWDZAMFYDEHDH-UHFFFAOYSA-N,"InChI=1S/C20H14N2OS/c1-2-14-7-6-10-16(11-14)22-13-21-18-17(12-24-19(18)20(22)23)15-8-4-3-5-9-15/h2-13H,1H2","""AuxInfo=1/0/N:1,2,19,18,20,5,4,17,21,6,24,14,9,3,16,7,15,11,12,22,10,8,23,13/E:(4,5)(8,9)/rA:24CCCCCCCNCNCCSCCCCCCCCCOC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;d16;s17;d18;s19;s16d20;s8s12;d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PMID:25127154,2014.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-MUZGGFNYVLGUFS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760302,COc1ccc(C2(N3CCCCC3)CCCCC2)cc1,MUZGGFNYVLGUFS,MUZGGFNYVLGUFS-UHFFFAOYSA-N,"InChI=1S/C18H27NO/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19/h8-11H,2-7,12-15H2,1H3","""AuxInfo=1/0/N:1,16,11,15,17,10,12,5,19,4,20,14,18,9,13,6,3,7,8,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:20COCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s7;s14;s15;s16;s7s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764159;CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.800;  5.400,5.1,0.3,0.3,2.0,5.1,0.3
-MUZGGFNYVLGUFS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760302,COc1ccc(C2(N3CCCCC3)CCCCC2)cc1,MUZGGFNYVLGUFS,MUZGGFNYVLGUFS-UHFFFAOYSA-N,"InChI=1S/C18H27NO/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19/h8-11H,2-7,12-15H2,1H3","""AuxInfo=1/0/N:1,16,11,15,17,10,12,5,19,4,20,14,18,9,13,6,3,7,8,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:20COCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s7;s14;s15;s16;s7s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-MUZGGFNYVLGUFS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760302,COc1ccc(C2(N3CCCCC3)CCCCC2)cc1,MUZGGFNYVLGUFS,MUZGGFNYVLGUFS-UHFFFAOYSA-N,"InChI=1S/C18H27NO/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19/h8-11H,2-7,12-15H2,1H3","""AuxInfo=1/0/N:1,16,11,15,17,10,12,5,19,4,20,14,18,9,13,6,3,7,8,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:20COCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s7;s14;s15;s16;s7s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-MVBFSJSJFOVMBM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3934074,O=C(Nc1ncc(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,MVBFSJSJFOVMBM,MVBFSJSJFOVMBM-UHFFFAOYSA-N,"InChI=1S/C16H11F2N3O3S2/c17-11-4-3-5-12(18)10(11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-6-1-2-7-19-13/h1-8H,9H2,(H,20,21,22)","""AuxInfo=1/1/N:23,24,16,15,17,22,25,6,11,12,13,18,21,7,2,4,14,19,26,5,3,1,9,10,20,8/E:(4,5)(11,12)(17,18)(23,24)/CRV:26.6/rA:26OCNCNCCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s12d17;s18;s4s7;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-MVBVNOZDVRVMNH_on_O00591_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_O14764_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P14867_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P18505_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P18507_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P28472_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P31644_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P34903_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P47869_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P47870_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P48169_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_P78334_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_Q16445_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.770;  9.120,8.445,0.675,0.675,2.0,8.445,0.675
-MVBVNOZDVRVMNH_on_Q99928_WT,Low,ChEMBL30,CHEMBL1190308,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1,MVBVNOZDVRVMNH,MVBVNOZDVRVMNH-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONS/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  9.120;  7.770,8.445,0.675,0.675,2.0,8.445,0.675
-MVCXAPXDPCEJBN_on_O15399_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_O60391_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_Q05586_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_Q12879_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_Q13224_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVCXAPXDPCEJBN_on_Q14957_WT,Low,ChEMBL30,CHEMBL43846,Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1,MVCXAPXDPCEJBN,MVCXAPXDPCEJBN-UHFFFAOYSA-N,"InChI=1S/C8H3Cl3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:13,11,14,9,7,6,2,3,12,10,8,15,5,1,4/rA:15OCCONCCClCClCClCCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s6s13;s2d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-MVDGQGQFJZUWBX_on_P41594_WT,Low,ChEMBL30,CHEMBL3655618,O=C(Nc1ccnc(Oc2cccnc2)c1)c1cc(Br)ccc1,MVDGQGQFJZUWBX,MVDGQGQFJZUWBX-UHFFFAOYSA-N,"InChI=1S/C17H12BrN3O2/c18-13-4-1-3-12(9-13)17(22)21-14-6-8-20-16(10-14)23-15-5-2-7-19-11-15/h1-11H,(H,20,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,5,13,6,18,16,15,17,19,4,10,8,2,20,14,7,3,1,9/rA:23OCNCCCNCOCCCCNCCCCCBrCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MVDLYVJXMXLQJV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3980239,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1,MVDLYVJXMXLQJV,MVDLYVJXMXLQJV-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O2/c1-12-9-15(10-13(2)25-12)19-17-5-7-28-8-6-27(17)20(26-19)14-3-4-18(16(22)11-14)29-21(23)24/h3-4,9-11,21H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,22,6,17,5,13,19,23,20,21,29,25,12,9,18/E:(1,2)(9,10)(12,13)(23,24)/rA:29CCCCCCCCOCCNCCCCCOCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-MVGABTCTHPSFLI_on_Q05586_WT,High,ChEMBL30,CHEMBL399519,CCS(=O)(=O)N(CCC(F)(F)F)c1c2nc(O)c(O)nc2cc(Cl)c1Cl,MVGABTCTHPSFLI,MVGABTCTHPSFLI-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:1,2,8,7,22,23,21,25,14,13,18,16,9,24,26,10,11,12,20,15,6,19,17,4,5,3/E:(16,17,18)(24,25)/CRV:26.6/rA:26CCSOONCCCFFFCCNCOCONCCCClCCl/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s9;s9;s6;d13;s14;d15;s16;s16;s18;d18;s14s20;d21;s22;s23;s13d23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.570;  7.700;  6.960,7.41,0.32299999999999995,0.228,3.0,7.57,0.13
-MVIDTZYEXLJGHP_on_P41594_WT,High,ChEMBL30,CHEMBL3702429,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,MVIDTZYEXLJGHP,MVIDTZYEXLJGHP-UHFFFAOYSA-N,"InChI=1S/C22H18FN5O/c1-14-12-27(13-26-14)21-9-19-18-4-2-3-16(15-5-6-20(23)24-10-15)17(18)7-8-28(19)22(29)11-25-21/h2-6,9-10,12-13H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,20,21,12,11,27,25,7,3,28,2,19,18,13,14,26,22,5,8,23,24,6,29,4,10,9/rA:29CCCNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s22;s19d24;s10s14;s5w?26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-MVIDTZYEXLJGHP_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702429,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,MVIDTZYEXLJGHP,MVIDTZYEXLJGHP-UHFFFAOYSA-N,"InChI=1S/C22H18FN5O/c1-14-12-27(13-26-14)21-9-19-18-4-2-3-16(15-5-6-20(23)24-10-15)17(18)7-8-28(19)22(29)11-25-21/h2-6,9-10,12-13H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,20,21,12,11,27,25,7,3,28,2,19,18,13,14,26,22,5,8,23,24,6,29,4,10,9/rA:29CCCNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s22;s19d24;s10s14;s5w?26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MVMSIAOIXGSGIK_on_P18507_WT,Low,ChEMBL30,CHEMBL1783275,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1,MVMSIAOIXGSGIK,MVMSIAOIXGSGIK-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:23,24,1,8,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(1,2)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-MVMSIAOIXGSGIK_on_P28472_WT,Low,ChEMBL30,CHEMBL1783275,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1,MVMSIAOIXGSGIK,MVMSIAOIXGSGIK-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:23,24,1,8,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(1,2)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-MVMSIAOIXGSGIK_on_P47869_WT,Low,ChEMBL30,CHEMBL1783275,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1,MVMSIAOIXGSGIK,MVMSIAOIXGSGIK-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:23,24,1,8,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(1,2)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-MVNKLJDCEVKDQP_on_Q05586_WT,Medium,ChEMBL30,CHEMBL354003,O=C(O)c1c(CN2CC(=O)N(C3CCCCC3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,MVNKLJDCEVKDQP,MVNKLJDCEVKDQP-UHFFFAOYSA-N,"InChI=1S/C19H19Cl2N3O4/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h6-7,11,22H,1-5,8-9H2,(H,26,27)","""AuxInfo=1/1/N:15,14,16,13,17,25,22,6,8,23,12,5,26,21,9,20,4,2,18,24,27,28,7,11,10,1,3,19/E:(2,3)(4,5)(26,27)/rA:28OCOCCCNCCONCCCCCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s7s11;d18;s5;d20;s21;d22;s23;s23;s20d25;s26;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-MVPLBDJUPQSJKZ_on_P41594_WT,High,ChEMBL30,CHEMBL214218,Cc1nc(C#CCNc2cccc(Cl)c2)ccc1,MVPLBDJUPQSJKZ,MVPLBDJUPQSJKZ-UHFFFAOYSA-N,"InChI=1S/C15H13ClN2/c1-12-5-2-7-14(18-12)9-4-10-17-15-8-3-6-13(16)11-15/h2-3,5-8,11,17H,10H2,1H3","""AuxInfo=1/0/N:1,17,11,6,18,12,16,10,5,7,15,2,13,4,9,14,8,3/rA:18CCNCCCCNCCCCCClCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-MVRQEXCODUMJFZ_on_P14867_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-MVRQEXCODUMJFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370;  7.420;  8.380;  7.500,7.667999999999999,0.414,0.239,4.0,7.46,0.065
-MVRQEXCODUMJFZ_on_P28472_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370;  8.380;  7.420;  7.500,7.667999999999999,0.414,0.239,4.0,7.46,0.065
-MVRQEXCODUMJFZ_on_P31644_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-MVRQEXCODUMJFZ_on_P34903_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-MVRQEXCODUMJFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL180464,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1,MVRQEXCODUMJFZ,MVRQEXCODUMJFZ-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-6-19(7-3-1)25-29-30-26-23-17-11-13-18(14-12-17)24(23)27(31-32(25)26)33-16-21-22(10-5-15-28-21)34-20-8-4-9-20/h1-3,5-7,10,15,17-18,20H,4,8-9,11-14,16H2","""AuxInfo=1/0/N:1,2,34,23,17,3,33,22,24,18,29,31,28,32,16,13,30,27,4,21,14,19,9,10,5,8,11,15,6,7,25,26,12,20/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s21s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-MVSLPTXAIZOIBD_on_O15303_WT,High,ChEMBL30,CHEMBL577248,CCOC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C,MVSLPTXAIZOIBD,MVSLPTXAIZOIBD-UHFFFAOYSA-N,"InChI=1S/C15H17NO3S/c1-4-19-15(17)12-9(2)13(20-14(12)16)10-5-7-11(18-3)8-6-10/h5-8H,4,16H2,1-3H3","""AuxInfo=1/0/N:1,20,16,2,12,18,13,17,19,11,14,6,10,7,4,8,5,15,3,9/E:(5,6)(7,8)/rA:20CCOCOCCNSCCCCCOCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s6d10;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MVVNQSXTSYYNPS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922743,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1,MVVNQSXTSYYNPS,MVVNQSXTSYYNPS-UHFFFAOYSA-N,"InChI=1S/C25H26FN3O2/c26-19-4-2-18(3-5-19)21-14-23(24(27)30)28-22-13-17(1-6-20(21)22)15-29-10-7-25(8-11-29)9-12-31-16-25/h1-6,13-14H,7-12,15-16H2,(H2,27,30)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,27,23,20,28,24,29,5,18,26,17,7,10,14,6,30,4,2,22,11,1,31,19,3,25/E:(2,3)(4,5)(7,8)(10,11)/rA:31NCOCCCCCCCFCCCCCCCNCCCCCOCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s22s25;s22;s19s27;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-MVYNQMRZRULRIE_on_O15399_WT,High,ChEMBL30,CHEMBL2333944,Cc1ccc2nc(O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1,MVYNQMRZRULRIE,MVYNQMRZRULRIE-UHFFFAOYSA-N,"InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)","""AuxInfo=1/1/N:1,33,32,34,31,35,3,22,27,23,26,4,15,16,37,28,2,21,30,24,36,5,10,20,13,17,29,9,7,25,6,11,12,14,18,19,8/E:(3,4)(5,6)(8,9)(10,11)(35,36)/rA:37CCCCCNCOCCNNCOCCCOOCCCCCBrCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;w?10;s11;s12;d13;s13;s15;s16;d17;s17;s12;s20;d21;s22;d23;s24;s24;s21d26;s10s20;d9;s29;d30;s31;d32;s33;s30d34;s5s29;s2d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309007,PMID:23909910,2013.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-MVYNQMRZRULRIE_on_Q13224_WT,Low,ChEMBL30,CHEMBL2333944,Cc1ccc2nc(O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1,MVYNQMRZRULRIE,MVYNQMRZRULRIE-UHFFFAOYSA-N,"InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)","""AuxInfo=1/1/N:1,33,32,34,31,35,3,22,27,23,26,4,15,16,37,28,2,21,30,24,36,5,10,20,13,17,29,9,7,25,6,11,12,14,18,19,8/E:(3,4)(5,6)(8,9)(10,11)(35,36)/rA:37CCCCCNCOCCNNCOCCCOOCCCCCBrCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;w?10;s11;s12;d13;s13;s15;s16;d17;s17;s12;s20;d21;s22;d23;s24;s24;s21d26;s10s20;d9;s29;d30;s31;d32;s33;s30d34;s5s29;s2d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  3.947,3.947,0.0,0.0,1.0,3.947,0.0
-MVYNQMRZRULRIE_on_Q14957_WT,High,ChEMBL30,CHEMBL2333944,Cc1ccc2nc(O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1,MVYNQMRZRULRIE,MVYNQMRZRULRIE-UHFFFAOYSA-N,"InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)","""AuxInfo=1/1/N:1,33,32,34,31,35,3,22,27,23,26,4,15,16,37,28,2,21,30,24,36,5,10,20,13,17,29,9,7,25,6,11,12,14,18,19,8/E:(3,4)(5,6)(8,9)(10,11)(35,36)/rA:37CCCCCNCOCCNNCOCCCOOCCCCCBrCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;w?10;s11;s12;d13;s13;s15;s16;d17;s17;s12;s20;d21;s22;d23;s24;s24;s21d26;s10s20;d9;s29;d30;s31;d32;s33;s30d34;s5s29;s2d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309006,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-MVZSJFATYMUQIC_on_P14867_WT,Low,ChEMBL30,CHEMBL1681898,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2Oc2ccccc2Cl)cc1,MVZSJFATYMUQIC,MVZSJFATYMUQIC-UHFFFAOYSA-N,"InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2","""AuxInfo=1/0/N:13,23,12,22,14,24,11,21,3,28,4,27,16,2,5,9,17,25,10,20,8,18,1,26,15,7,6,19/E:(9,10)(11,12)/rA:28ClCCCCNNCCCCCCCNCCCOCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;d20;s21;d22;s23;s20d24;s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MVZSJFATYMUQIC_on_P47869_WT,Low,ChEMBL30,CHEMBL1681898,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2Oc2ccccc2Cl)cc1,MVZSJFATYMUQIC,MVZSJFATYMUQIC-UHFFFAOYSA-N,"InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2","""AuxInfo=1/0/N:13,23,12,22,14,24,11,21,3,28,4,27,16,2,5,9,17,25,10,20,8,18,1,26,15,7,6,19/E:(9,10)(11,12)/rA:28ClCCCCNNCCCCCCCNCCCOCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;d20;s21;d22;s23;s20d24;s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-MWASGDJOVNIDEM_on_O00591_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_O14764_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P14867_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P18505_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P18507_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P28472_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P31644_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P34903_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P47869_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P47870_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P48169_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_P78334_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_Q16445_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWASGDJOVNIDEM_on_Q99928_WT,Low,ChEMBL30,CHEMBL171531,CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2,MWASGDJOVNIDEM,MWASGDJOVNIDEM-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h2-10,15H,17H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,10,14,20,17,9,15,16,8,5,3,6,7,2,4/E:(3,4)(7,8)/rA:20CNCOCNNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;w?7;s8;d9;s10;d11;s12;s9d13;s8;s2d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654252,PMID:2848124,1988.0,PMID:2848124,1988,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-MWAUZLNCUAEKNR_on_P14867_WT,Medium,ChEMBL30,CHEMBL511684,CSC1SC(C(=O)c2ccc(Cl)cc2)C2CCCC(=O)C12,MWAUZLNCUAEKNR,MWAUZLNCUAEKNR-UHFFFAOYSA-N,"InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3","""AuxInfo=1/0/N:1,17,16,18,9,14,10,13,8,11,15,19,21,6,5,3,12,20,7,2,4/E:(5,6)(7,8)/rA:21CSCSCCOCCCCClCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s16;s17;s18;d19;s3s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-MWAUZLNCUAEKNR_on_P31644_WT,Medium,ChEMBL30,CHEMBL511684,CSC1SC(C(=O)c2ccc(Cl)cc2)C2CCCC(=O)C12,MWAUZLNCUAEKNR,MWAUZLNCUAEKNR-UHFFFAOYSA-N,"InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3","""AuxInfo=1/0/N:1,17,16,18,9,14,10,13,8,11,15,19,21,6,5,3,12,20,7,2,4/E:(5,6)(7,8)/rA:21CSCSCCOCCCCClCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s16;s17;s18;d19;s3s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-MWBWDQVGXJWEDX_on_P41594_WT,High,ChEMBL30,CHEMBL457026,CC(C)OC(=O)N1CC=C(c2cn(-c3cccnc3F)nn2)CC1,MWBWDQVGXJWEDX,MWBWDQVGXJWEDX-UHFFFAOYSA-N,"InChI=1S/C16H18FN5O2/c1-11(2)24-16(23)21-8-5-12(6-9-21)13-10-22(20-19-13)14-4-3-7-18-15(14)17/h3-5,7,10-11H,6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,9,23,17,8,24,12,2,10,11,14,19,5,20,18,22,21,7,13,6,4/E:(1,2)/rA:24CCCOCONCCCCCNCCCCNCFNNCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;w?9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;s13;s11d21;s10;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-MWBWDQVGXJWEDX_on_Q13255_WT,High,ChEMBL30,CHEMBL457026,CC(C)OC(=O)N1CC=C(c2cn(-c3cccnc3F)nn2)CC1,MWBWDQVGXJWEDX,MWBWDQVGXJWEDX-UHFFFAOYSA-N,"InChI=1S/C16H18FN5O2/c1-11(2)24-16(23)21-8-5-12(6-9-21)13-10-22(20-19-13)14-4-3-7-18-15(14)17/h3-5,7,10-11H,6,8-9H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,9,23,17,8,24,12,2,10,11,14,19,5,20,18,22,21,7,13,6,4/E:(1,2)/rA:24CCCOCONCCCCCNCCCCNCFNNCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;w?9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;s13;s11d21;s10;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-MWCBDRJRNJHXQJ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023630;70687777,c1ccc(-n2cc(-c3c[nH]c4ccccc34)cn2)cc1,MWCBDRJRNJHXQJ,MWCBDRJRNJHXQJ-UHFFFAOYSA-N,"InChI=1S/C17H13N3/c1-2-6-14(7-3-1)20-12-13(10-19-20)16-11-18-17-9-5-4-8-15(16)17/h1-12,18H","""AuxInfo=1/0/N:1,2,20,14,13,3,19,15,12,17,9,6,7,4,16,8,11,10,18,5/E:(2,3)(6,7)/rA:20CCCCNCCCCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s7;s5d17;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  5.600;  5.602,5.601,0.001,0.001,2.0,5.601,0.001
-MWDRSYUFMFFQEH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111755,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F,MWDRSYUFMFFQEH,MWDRSYUFMFFQEH-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O3/c1-13-9-17(10-14(2)27-13)21-18-7-8-31-15(3)12-29(18)22(28-21)16-5-6-19(20(11-16)30-4)32-23(24,25)26/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,17,27,3,8,6,29,30,31,32,13,7,24,2,20,28/E:(1,2)(9,10)(13,14)(24,25,26)/rA:32COCCCCNCCCCCNCCCCCCOCCCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-MWFUWMAFXIIDOK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164541;9881610,Fc1cc(-c2nc(-c3ncccc3)no2)cc(F)c1,MWFUWMAFXIIDOK,MWFUWMAFXIIDOK-UHFFFAOYSA-N,InChI=1S/C13H7F2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H,"""AuxInfo=1/0/N:12,11,13,10,3,16,19,4,2,17,8,7,5,1,18,9,6,14,15/E:(5,6)(9,10)(14,15)/rA:19FCCCCNCCNCCCCNOCCFC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;d4;s16;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  6.810;  6.812,6.811,0.001,0.001,2.0,6.811,0.001
-MWMMUKIHNXXNGW_on_P41594_WT,High,ChEMBL30,CHEMBL205146,Cc1cc(COc2cc(C#N)cc(Cl)n2)ccn1,MWMMUKIHNXXNGW,MWMMUKIHNXXNGW-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3","""AuxInfo=1/0/N:1,16,17,3,12,8,10,5,2,4,9,13,7,14,11,18,15,6/rA:18CCCCCOCCCCNCCClNCCN/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;t10;d9;s12;s13;s7d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MWPCXJCTPBTOTL_on_O00222_WT,High,ExCAPE-DB,3923483,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3CCCO3)c(C)c2)cc1,MWPCXJCTPBTOTL,MWPCXJCTPBTOTL-UHFFFAOYSA-N,"InChI=1S/C21H26N2O3S/c1-14-11-20(15(2)23(14)12-18-5-4-10-26-18)21(25)13-27-19-8-6-17(7-9-19)22-16(3)24/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:24,15,1,20,19,6,27,7,26,21,25,17,10,23,14,2,5,18,8,13,11,4,16,3,12,22,9/E:(6,7)(8,9)/rA:27CCONCCCCSCCOCCCNCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;s18s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.463,5.462999999999999,0.0,0.0,1.0,5.462999999999999,0.0
-MWPCXJCTPBTOTL_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561038,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3CCCO3)c(C)c2)cc1,MWPCXJCTPBTOTL,MWPCXJCTPBTOTL-UHFFFAOYSA-N,"InChI=1S/C21H26N2O3S/c1-14-11-20(15(2)23(14)12-18-5-4-10-26-18)21(25)13-27-19-8-6-17(7-9-19)22-16(3)24/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:24,15,1,20,19,6,27,7,26,21,25,17,10,23,14,2,5,18,8,13,11,4,16,3,12,22,9/E:(6,7)(8,9)/rA:27CCONCCCCSCCOCCCNCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;s18s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.319,5.319,0.0,0.0,1.0,5.319,0.0
-MWPCXJCTPBTOTL_on_Q14833_WT,High,ExCAPE-DB,3923483,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3CCCO3)c(C)c2)cc1,MWPCXJCTPBTOTL,MWPCXJCTPBTOTL-UHFFFAOYSA-N,"InChI=1S/C21H26N2O3S/c1-14-11-20(15(2)23(14)12-18-5-4-10-26-18)21(25)13-27-19-8-6-17(7-9-19)22-16(3)24/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:24,15,1,20,19,6,27,7,26,21,25,17,10,23,14,2,5,18,8,13,11,4,16,3,12,22,9/E:(6,7)(8,9)/rA:27CCONCCCCSCCOCCCNCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;s18s21;s16;s23;s13d23;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MWRWKWKTMAFBCU_on_O15399_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_O60391_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_Q05586_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_Q12879_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_Q13224_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWRWKWKTMAFBCU_on_Q14957_WT,Low,ChEMBL30,CHEMBL42367,COc1cc2c(nc(O)c(O)n2)c(O)c1OC,MWRWKWKTMAFBCU,MWRWKWKTMAFBCU-UHFFFAOYSA-N,"InChI=1S/C10H10N2O5/c1-16-5-3-4-6(7(13)8(5)17-2)12-10(15)9(14)11-4/h3,13H,1-2H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,17,4,5,3,6,13,15,10,8,12,7,14,11,9,2,16/rA:17COCCCCNCOCONCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;s3d13;s15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-MWXAHLMUYMJXTG_on_O15399_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_O60391_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_Q05586_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_Q12879_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_Q13224_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXAHLMUYMJXTG_on_Q14957_WT,Low,ChEMBL30,CHEMBL340215,NC12CC3CC(C1)CC(c1ccccc1)(C3)C2,MWXAHLMUYMJXTG,MWXAHLMUYMJXTG-UHFFFAOYSA-N,"InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2","""AuxInfo=1/0/N:13,12,14,11,15,5,8,16,7,3,17,6,4,10,9,2,1/E:(2,3)(4,5)(7,8)(9,10)(12,13)/rA:17NCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s4s9;s2s9;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MWXQDEWVXWWKFT_on_Q14416_WT,High,ChEMBL30,CHEMBL4067290,FC(F)(F)c1c(-c2cc(Cl)c(OC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12,MWXQDEWVXWWKFT,MWXQDEWVXWWKFT-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c23-17-12-14(3-4-18(17)31-15-6-9-30-10-7-15)16-5-8-29-19(11-13-1-2-13)27-28-21(29)20(16)22(24,25)26/h3-5,8,12-13,15H,1-2,6-7,9-11H2","""AuxInfo=1/0/N:27,28,20,19,21,14,18,22,15,17,25,8,26,7,13,6,9,11,24,5,31,2,10,1,3,4,29,30,23,16,12/E:(1,2)(6,7)(9,10)(24,25,26)/rA:31FCFFCCCCCClCOCCCOCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s13s17;s11;s7d19;s6;d21;s22;s23;s24;s25;s26;s26s27;d24;s29;s5s23d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040529;CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0;1,0;0;1;0,0;1;0;0,0,,=,  7.050;  8.280;  7.910;  7.420,7.665,0.46799999999999997,0.27,4.0,7.665,0.43
-MWZNQRPRJKAROY_on_P41594_WT,High,ChEMBL30,CHEMBL3660235,Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1,MWZNQRPRJKAROY,MWZNQRPRJKAROY-UHFFFAOYSA-N,"InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,16,18,21,10,20,12,3,2,9,15,13,7,5,19,11,22,6,8,14,4/rA:22CCCSCNCOCCNCCOCCCCNCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-MXANQNHPLFTUMM_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594111,C=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,MXANQNHPLFTUMM,MXANQNHPLFTUMM-UHFFFAOYSA-N,"""InChI=1S/C20H32O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h14-18H,1,4-12H2,2-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-MXANQNHPLFTUMM_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594111,C=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,MXANQNHPLFTUMM,MXANQNHPLFTUMM-UHFFFAOYSA-N,"""InChI=1S/C20H32O4S.C5H5N/c1-13-4-7-17-16-6-5-14-12-15(24-25(21,22)23)8-10-20(14,3)18(16)9-11-19(13,17)2;1-2-4-6-5-3-1/h14-18H,1,4-12H2,2-3H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,25,20,3,8,7,4,17,22,18,23,10,2,9,11,6,5,21,24,19,14,15,16,12,13;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;d13;s13;s11;s17;s9s18;s19;s6s19;s21;s22;s2s5s23;s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-MXBHDQJXIIOJMJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL228436,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,MXBHDQJXIIOJMJ,MXBHDQJXIIOJMJ-UHFFFAOYSA-N,"InChI=1S/C24H35N5OS/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-20-10-1-3-12-22(20)31-23-13-4-2-11-21(23)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:23,29,22,30,3,4,12,13,8,24,28,21,31,2,5,11,7,9,14,19,27,20,26,16,1,6,10,15,18,17,25/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:31NCCCCNCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s18d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  7.110;  6.970,7.04,0.07,0.07,2.0,7.04,0.07
-MXBHDQJXIIOJMJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL228436,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,MXBHDQJXIIOJMJ,MXBHDQJXIIOJMJ-UHFFFAOYSA-N,"InChI=1S/C24H35N5OS/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-20-10-1-3-12-22(20)31-23-13-4-2-11-21(23)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:23,29,22,30,3,4,12,13,8,24,28,21,31,2,5,11,7,9,14,19,27,20,26,16,1,6,10,15,18,17,25/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:31NCCCCNCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s18d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-MXBHDQJXIIOJMJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL228436,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,MXBHDQJXIIOJMJ,MXBHDQJXIIOJMJ-UHFFFAOYSA-N,"InChI=1S/C24H35N5OS/c25-14-5-6-15-26-17-9-18-27-16-7-8-19-28-24(30)29-20-10-1-3-12-22(20)31-23-13-4-2-11-21(23)29/h1-4,10-13,26-27H,5-9,14-19,25H2,(H,28,30)","""AuxInfo=1/1/N:23,29,22,30,3,4,12,13,8,24,28,21,31,2,5,11,7,9,14,19,27,20,26,16,1,6,10,15,18,17,25/E:(1,2)(3,4)(10,11)(12,13)(20,21)(22,23)/rA:31NCCCCNCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s18d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MXDJQHSCMHLDAN_on_Q13255_WT,High,ChEMBL30,CHEMBL3759381,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)nco1,MXDJQHSCMHLDAN,MXDJQHSCMHLDAN-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(20)7-11)24-18(26)12-4-2-10(21)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,24,18,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCFCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.850;  6.850,6.85,0.0,0.0,2.0,6.85,0.0
-MXDJQHSCMHLDAN_on_Q14833_WT,High,ChEMBL30,CHEMBL3759381,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)nco1,MXDJQHSCMHLDAN,MXDJQHSCMHLDAN-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(20)7-11)24-18(26)12-4-2-10(21)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,24,18,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCFCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-MXERUOIYGDQKKP_on_P41594_WT,High,ChEMBL30,CHEMBL1682811,C(#Cc1cc2c(nc1)NCCO2)c1ccccc1,MXERUOIYGDQKKP,MXERUOIYGDQKKP-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-10-14-15(17-11-13)16-8-9-18-14/h1-5,10-11H,8-9H2,(H,16,17)","""AuxInfo=1/1/N:16,15,17,14,18,1,2,10,11,4,8,13,3,5,6,9,7,12/E:(2,3)(4,5)/rA:18CCCCCCNCNCCOCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s5s11;s1;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.690;  7.690,7.69,0.0,0.0,2.0,7.69,0.0
-MXFGPUMERBZSLF_on_Q05586_WT,Low,ChEMBL30,CHEMBL65454,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3F)CC1)n2,MXFGPUMERBZSLF,MXFGPUMERBZSLF-UHFFFAOYSA-N,"InChI=1S/C20H21F2N3O/c21-16-2-1-3-17(22)15(16)10-13-6-8-25(9-7-13)12-20-23-18-5-4-14(26)11-19(18)24-20/h1-5,11,13,26H,6-10,12H2,(H,23,24)","""AuxInfo=1/1/N:20,19,21,7,6,13,24,12,25,15,3,10,14,2,16,17,22,5,4,9,18,23,8,26,11,1/E:(2,3)(6,7)(8,9)(16,17)(21,22)/rA:26OCCCCCCNCCNCCCCCCFCCCCFCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s17;d19;s20;s16d21;s22;s14;s11s24;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.680;  9.090,8.385,0.705,0.705,2.0,8.385,0.705
-MXFGPUMERBZSLF_on_Q13224_WT,Low,ChEMBL30,CHEMBL65454,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3F)CC1)n2,MXFGPUMERBZSLF,MXFGPUMERBZSLF-UHFFFAOYSA-N,"InChI=1S/C20H21F2N3O/c21-16-2-1-3-17(22)15(16)10-13-6-8-25(9-7-13)12-20-23-18-5-4-14(26)11-19(18)24-20/h1-5,11,13,26H,6-10,12H2,(H,23,24)","""AuxInfo=1/1/N:20,19,21,7,6,13,24,12,25,15,3,10,14,2,16,17,22,5,4,9,18,23,8,26,11,1/E:(2,3)(6,7)(8,9)(16,17)(21,22)/rA:26OCCCCCCNCCNCCCCCCFCCCCFCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s17;d19;s20;s16d21;s22;s14;s11s24;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.680;  9.090,8.385,0.705,0.705,2.0,8.385,0.705
-MXGUAAMFCPDOEZ_on_P41594_WT,High,ChEMBL30,CHEMBL212529,Cc1csc(NC(=O)c2cccc(Cl)c2)n1,MXGUAAMFCPDOEZ,MXGUAAMFCPDOEZ-UHFFFAOYSA-N,"InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)","""AuxInfo=1/1/N:1,11,10,12,15,3,2,9,13,7,5,14,16,6,8,4/rA:16CCCSCNCOCCCCCClCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;s9d13;s2d5;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-MXHOCFIYIWHXBW_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786287,Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(cccc4)C3=O)cc2)occ1,MXHOCFIYIWHXBW,MXHOCFIYIWHXBW-UHFFFAOYSA-N,"InChI=1S/C20H15FN2O3/c1-12-8-9-26-18(12)19(24)22-17-7-6-14(10-16(17)21)23-11-13-4-2-3-5-15(13)20(23)25/h2-10H,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,17,19,16,22,23,26,25,10,13,2,14,11,15,8,7,3,4,20,9,6,12,5,21,24/rA:26CCCCONCCFCCNCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-MXQFCGCFQGLGKN_on_P31644_WT,High,ChEMBL30,CHEMBL3676505,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccccc2)no1,MXQFCGCFQGLGKN,MXQFCGCFQGLGKN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-15-18(20(23-28-15)16-5-3-2-4-6-16)14-27-19-8-7-17(13-22-19)21(25)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,8,7,13,17,14,16,18,4,2,21,9,3,6,20,10,19,27,12,11,15,5,28/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCOCCCCCONCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.630,7.63,0.0,0.0,1.0,7.63,0.0
-MXTPRZSAMHVJFI_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681894,Clc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1,MXTPRZSAMHVJFI,MXTPRZSAMHVJFI-UHFFFAOYSA-N,"InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2","""AuxInfo=1/0/N:15,16,14,17,4,28,3,29,23,26,22,27,10,6,5,2,24,21,13,9,12,18,8,1,25,11,19,20,7/E:(5,6)(7,8)(9,10)(11,12)/rA:29ClCCCCCOCCCNCCCCCCCNNCCCCClCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s12s16;s9s13;d18;s8s19;s20;d21;s22;d23;s24;s24;s21d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-MXTPRZSAMHVJFI_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681894,Clc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1,MXTPRZSAMHVJFI,MXTPRZSAMHVJFI-UHFFFAOYSA-N,"InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2","""AuxInfo=1/0/N:15,16,14,17,4,28,3,29,23,26,22,27,10,6,5,2,24,21,13,9,12,18,8,1,25,11,19,20,7/E:(5,6)(7,8)(9,10)(11,12)/rA:29ClCCCCCOCCCNCCCCCCCNNCCCCClCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s12s16;s9s13;d18;s8s19;s20;d21;s22;d23;s24;s24;s21d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-MXWZNOWXMOFIKL_on_Q14416_WT,Low,ChEMBL30,CHEMBL1669403,CCCn1ccc2c(c(C#N)cc(-c3cccnc3)c2)c1=O,MXWZNOWXMOFIKL,MXWZNOWXMOFIKL-UHFFFAOYSA-N,"InChI=1S/C18H15N3O/c1-2-7-21-8-5-13-9-15(14-4-3-6-20-12-14)10-16(11-19)17(13)18(21)22/h3-6,8-10,12H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,16,15,6,17,3,5,20,12,10,19,7,14,13,9,8,21,11,18,4,22/rA:22CCCNCCCCCCNCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s13;d14;s15;d16;s17;s14d18;s7d13;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-MXXWOMGUGJBKIW_on_P14867_WT,Low,ChEMBL30,CHEMBL43185,O=C(C=CC=Cc1cc2c(cc1)OCO2)N1CCCCC1,MXXWOMGUGJBKIW,MXXWOMGUGJBKIW-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2","""AuxInfo=1/0/N:19,5,4,18,20,6,3,12,11,17,21,8,14,7,10,9,2,16,1,13,15/E:(4,5)(10,11)/rA:21OCCCCCCCCCCCOCONCCCCC/rB:d1;s2;w?3;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MXXWOMGUGJBKIW_on_P18507_WT,Low,ChEMBL30,CHEMBL43185,O=C(C=CC=Cc1cc2c(cc1)OCO2)N1CCCCC1,MXXWOMGUGJBKIW,MXXWOMGUGJBKIW-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2","""AuxInfo=1/0/N:19,5,4,18,20,6,3,12,11,17,21,8,14,7,10,9,2,16,1,13,15/E:(4,5)(10,11)/rA:21OCCCCCCCCCCCOCONCCCCC/rB:d1;s2;w?3;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MXXWOMGUGJBKIW_on_P47870_WT,Low,ChEMBL30,CHEMBL43185,O=C(C=CC=Cc1cc2c(cc1)OCO2)N1CCCCC1,MXXWOMGUGJBKIW,MXXWOMGUGJBKIW-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2","""AuxInfo=1/0/N:19,5,4,18,20,6,3,12,11,17,21,8,14,7,10,9,2,16,1,13,15/E:(4,5)(10,11)/rA:21OCCCCCCCCCCCOCONCCCCC/rB:d1;s2;w?3;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9s14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-MXYXLYAPGNYCAH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3122217;76321784,Cc1c(-c2nn(C)c3nc(OCc4ccccn4)cnc23)cnn1C,MXYXLYAPGNYCAH,MXYXLYAPGNYCAH-UHFFFAOYSA-N,"InChI=1S/C17H17N7O/c1-11-13(8-20-23(11)2)15-16-17(24(3)22-15)21-14(9-19-16)25-10-12-6-4-5-7-18-12/h4-9H,10H2,1-3H3","""AuxInfo=1/0/N:1,25,7,15,16,14,17,22,19,12,2,13,3,10,4,21,8,18,20,23,9,5,24,6,11/rA:25CCCCNNCCNCOCCCCCCNCNCCNNC/rB:s1;d2;s3;d4;s5;s6;s6;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s19;s4s8d20;s3;d22;s2s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717;PubChemAID:1071426,PMID:24392688,2014.0,PMID:24392688;PubChemAID:1071426,2014,0,0,0,1;0,0;1,,=,  8.090;  8.092,8.091000000000001,0.001,0.001,2.0,8.091000000000001,0.001
-MYAADMBOZUZJPA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3927738,CC1(C)CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)C1,MYAADMBOZUZJPA,MYAADMBOZUZJPA-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-20(2)12-13-22(19(23)14-20)18-11-10-17(15-21-18)9-8-16-6-4-3-5-7-16/h3-7,10-11,15H,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,9,8,4,5,23,19,13,10,7,21,2,20,6,22/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCCCCCCCCCCCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-MYCDLUBEDRYIHO_on_Q14833_WT,High,ExCAPE-DB,5725998,Cc1c(NN=CC2C=CC(=O)C=C2)nc2ccccc2n1,MYCDLUBEDRYIHO,MYCDLUBEDRYIHO-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,12H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,18,17,19,16,8,13,9,12,6,2,7,10,20,15,3,5,21,14,4,11/E:(6,7)(8,9)/rA:21CCCNNCCCCCOCCNCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;w?8;s9;d10;s10;s7w?12;s3;d14;s15;d16;s17;d18;s15s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715,PubChemAID:618715,2012.0,PubChemAID:618715,2012,0,0,0,0,1,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-MYDMWESTDPJANS_on_O15399_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.340;  4.960,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_O60391_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.960;  6.340,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.960;  6.340,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_Q05586_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.340;  4.960,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_Q12879_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.340;  4.960,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_Q13224_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.960;  6.340,5.65,0.69,0.69,2.0,5.65,0.69
-MYDMWESTDPJANS_on_Q14957_WT,Low,ChEMBL30,CHEMBL302783,NC(CCCCCP(=O)(O)O)C(=O)O,MYDMWESTDPJANS,MYDMWESTDPJANS-UHFFFAOYSA-N,"InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)","""AuxInfo=1/1/N:5,4,6,3,7,2,12,1,13,14,9,10,11,8/E:(9,10)(11,12,13)/rA:14NCCCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.960;  6.340,5.65,0.69,0.69,2.0,5.65,0.69
-MYDNGJJMDNKGDJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799759,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12,MYDNGJJMDNKGDJ,MYDNGJJMDNKGDJ-UHFFFAOYSA-N,"InChI=1S/C17H18F3N5O3S/c1-4-21-15(27)14-9(3)29-16-22-10(6-12(26)25(14)16)8-24-13(28-5-2)7-11(23-24)17(18,19)20/h6-7H,4-5,8H2,1-3H3,(H,21,27)","""AuxInfo=1/1/N:1,25,8,2,24,26,21,13,7,12,16,27,22,6,4,10,17,18,19,20,3,11,15,14,29,28,5,23,9/E:(18,19,20)/rA:29CCNCOCCCSCNCCNNCCFFFCCOCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-MYDNGJJMDNKGDJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799759,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12,MYDNGJJMDNKGDJ,MYDNGJJMDNKGDJ-UHFFFAOYSA-N,"InChI=1S/C17H18F3N5O3S/c1-4-21-15(27)14-9(3)29-16-22-10(6-12(26)25(14)16)8-24-13(28-5-2)7-11(23-24)17(18,19)20/h6-7H,4-5,8H2,1-3H3,(H,21,27)","""AuxInfo=1/1/N:1,25,8,2,24,26,21,13,7,12,16,27,22,6,4,10,17,18,19,20,3,11,15,14,29,28,5,23,9/E:(18,19,20)/rA:29CCNCOCCCSCNCCNNCCFFFCCOCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-MYEZMCPZYGQLNG_on_P41594_WT,Medium,ChEMBL30,CHEMBL126608,NC(CCn1oc(=O)[nH]c1=O)C(=O)O,MYEZMCPZYGQLNG,MYEZMCPZYGQLNG-UHFFFAOYSA-N,"InChI=1S/C6H9N3O5/c7-3(4(10)11)1-2-9-5(12)8-6(13)14-9/h3H,1-2,7H2,(H,10,11)(H,8,12,13)","""AuxInfo=1/1/N:3,4,2,12,10,7,1,9,5,13,14,11,8,6/E:(10,11)/rA:14NCCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.440,4.44,0.0,0.0,1.0,4.44,0.0
-MYEZMCPZYGQLNG_on_Q13255_WT,Low,ChEMBL30,CHEMBL126608,NC(CCn1oc(=O)[nH]c1=O)C(=O)O,MYEZMCPZYGQLNG,MYEZMCPZYGQLNG-UHFFFAOYSA-N,"InChI=1S/C6H9N3O5/c7-3(4(10)11)1-2-9-5(12)8-6(13)14-9/h3H,1-2,7H2,(H,10,11)(H,8,12,13)","""AuxInfo=1/1/N:3,4,2,12,10,7,1,9,5,13,14,11,8,6/E:(10,11)/rA:14NCCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.735,3.735,0.0,0.0,1.0,3.735,0.0
-MYEZMCPZYGQLNG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL126608,NC(CCn1oc(=O)[nH]c1=O)C(=O)O,MYEZMCPZYGQLNG,MYEZMCPZYGQLNG-UHFFFAOYSA-N,"InChI=1S/C6H9N3O5/c7-3(4(10)11)1-2-9-5(12)8-6(13)14-9/h3H,1-2,7H2,(H,10,11)(H,8,12,13)","""AuxInfo=1/1/N:3,4,2,12,10,7,1,9,5,13,14,11,8,6/E:(10,11)/rA:14NCCCNOCONCOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-MYILMZHFZQOVQK_on_Q14416_WT,High,ChEMBL30,CHEMBL3911282,CCCc1c(OCc2ccc(Oc3ccc(-c4n[nH]nn4)cn3)cc2)ccc(C(C)=O)c1O,MYILMZHFZQOVQK,MYILMZHFZQOVQK-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-4-20-21(11-10-19(15(2)30)23(20)31)32-14-16-5-8-18(9-6-16)33-22-12-7-17(13-25-22)24-26-28-29-27-24/h5-13,31H,3-4,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,3,9,25,15,10,24,27,26,14,22,7,29,8,16,11,28,4,5,13,32,17,23,18,21,19,20,31,33,6,12/E:(5,6)(8,9)(26,27)(28,29)/rA:33CCCCCOCCCCCOCCCCCNNNNCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s11;s8d24;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-MYLCEWGNUDSKAU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,56677264;CHEMBL1808890;CHEMBL1808890,Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1,MYLCEWGNUDSKAU,MYLCEWGNUDSKAU-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3OS/c1-12-5-17(13-6-14(21)8-15(22)7-13)24-9-16(12)18-3-2-4-25(18)20(26)19-10-23-11-27-19/h5-11,18H,2-4H2,1H3","""AuxInfo=1/0/N:1,18,17,19,3,6,12,9,14,24,26,2,5,7,10,15,4,16,23,21,8,11,25,13,20,22,27/E:(6,7)(14,15)(21,22)/rA:27CCCCCCCFCCFCNCCCCCCNCOCCNCS/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;d4;s13;s2d14;s15;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609898;CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PubChemAID:609898;PMID:21757343;PMID:21757343,2012;2011;2011,0;0;1,0,0,0;1;0,1;0;0,,=,  6.444;  6.440;  6.240,6.375,0.095,0.067,3.0,6.44,0.004
-MYPJFABQXKXTLU_on_P41594_WT,High,ChEMBL30,CHEMBL426190,CCc1ccc(-n2cnc3c(sc4c3c(NCC#N)ccn4)c2=O)cc1,MYPJFABQXKXTLU,MYPJFABQXKXTLU-UHFFFAOYSA-N,"InChI=1S/C19H15N5OS/c1-2-12-3-5-13(6-4-12)24-11-23-16-15-14(21-10-8-20)7-9-22-18(15)26-17(16)19(24)25/h3-7,9,11H,2,10H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,4,26,5,25,20,18,21,17,8,3,6,15,14,10,11,13,23,19,16,22,9,7,24,12/E:(3,4)(5,6)/rA:26CCCCCCNCNCCSCCCNCCNCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;t18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-MYPJFABQXKXTLU_on_Q13255_WT,High,ChEMBL30,CHEMBL426190,CCc1ccc(-n2cnc3c(sc4c3c(NCC#N)ccn4)c2=O)cc1,MYPJFABQXKXTLU,MYPJFABQXKXTLU-UHFFFAOYSA-N,"InChI=1S/C19H15N5OS/c1-2-12-3-5-13(6-4-12)24-11-23-16-15-14(21-10-8-20)7-9-22-18(15)26-17(16)19(24)25/h3-7,9,11H,2,10H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,2,4,26,5,25,20,18,21,17,8,3,6,15,14,10,11,13,23,19,16,22,9,7,24,12/E:(3,4)(5,6)/rA:26CCCCCCNCNCCSCCCNCCNCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;t18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-MYPZWCPHVXNILC_on_Q14833_WT,High,ChEMBL30,CHEMBL4098128,ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCC(F)(F)CC1)cc2,MYPZWCPHVXNILC,MYPZWCPHVXNILC-UHFFFAOYSA-N,"InChI=1S/C23H22F2N4O3/c24-23(25)5-8-28(9-6-23)10-11-31-17-3-4-21-18(13-17)19(27-30)14-22(32-21)20-12-16-2-1-7-29(16)15-26-20/h1-4,7,12-15,30H,5-6,8-11H2","""AuxInfo=1/0/N:10,9,31,32,25,29,11,24,30,22,21,7,18,4,13,8,19,17,3,6,16,5,26,27,28,14,2,23,12,1,20,15/E:(5,6)(8,9)(24,25)/rA:32ONCCCCCCCCCNCNOCCCCOCCNCCCFFCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s8s11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s26;s26;s23s29;s19;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-MYSJBIKZGQCWQA_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644386,O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ncc3,MYSJBIKZGQCWQA,MYSJBIKZGQCWQA-UHFFFAOYSA-N,"InChI=1S/C19H17F2N5O/c20-19(21)14-9-25(10-24-14)16-7-15-12-3-5-22-18(11-1-2-11)13(12)4-6-26(15)17(27)8-23-16/h3,5,7,9-11,19H,1-2,4,6,8H2","""AuxInfo=1/0/N:23,24,27,18,26,19,14,3,13,7,22,16,17,9,15,5,2,21,10,11,12,25,4,8,6,20,1/E:(1,2)(20,21)/rA:27OCCNCNCNCCFFCCCCCCCNCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MYWBQMGIWJBMAE_on_P41594_WT,Medium,ChEMBL30,CHEMBL1783977,O=C(c1cccs1)N1CCCC2(CCCCC2)C1,MYWBQMGIWJBMAE,MYWBQMGIWJBMAE-UHFFFAOYSA-N,"InChI=1S/C15H21NOS/c17-14(13-6-4-11-18-13)16-10-5-9-15(12-16)7-2-1-3-8-15/h4,6,11H,1-3,5,7-10,12H2","""AuxInfo=1/0/N:15,14,16,5,10,4,13,17,11,9,6,18,3,2,12,8,1,7/E:(2,3)(7,8)/rA:18OCCCCCSNCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-MYZZJMFAJXSPSC_on_Q14416_WT,Low,ChEMBL30,CHEMBL333487,NC(CCC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O,MYZZJMFAJXSPSC,MYZZJMFAJXSPSC-UHFFFAOYSA-N,"InChI=1S/C21H23NO4/c22-21(20(25)26,18-13-17(18)19(23)24)12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:9,15,8,10,14,16,7,11,13,17,4,3,22,6,12,5,23,21,24,18,2,1,25,26,19,20/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCCCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MYZZJMFAJXSPSC_on_Q14832_WT,Low,ChEMBL30,CHEMBL333487,NC(CCC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O,MYZZJMFAJXSPSC,MYZZJMFAJXSPSC-UHFFFAOYSA-N,"InChI=1S/C21H23NO4/c22-21(20(25)26,18-13-17(18)19(23)24)12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,22H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:9,15,8,10,14,16,7,11,13,17,4,3,22,6,12,5,23,21,24,18,2,1,25,26,19,20/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(23,24)(25,26)/rA:26NCCCCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s5;d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-MZBASFPGAJKZGV_on_O15399_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-MZBASFPGAJKZGV_on_O60391_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-MZBASFPGAJKZGV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-MZBASFPGAJKZGV_on_Q05586_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL750561;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430;  6.960;  5.850,6.412999999999999,0.45299999999999996,0.321,3.0,6.43,0.53
-MZBASFPGAJKZGV_on_Q12879_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430;  6.960,6.695,0.265,0.265,2.0,6.695,0.265
-MZBASFPGAJKZGV_on_Q13224_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430;  5.850,6.14,0.29,0.29,2.0,6.14,0.29
-MZBASFPGAJKZGV_on_Q14957_WT,Low,ChEMBL30,CHEMBL268714,COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,MZBASFPGAJKZGV,MZBASFPGAJKZGV-UHFFFAOYSA-N,"InChI=1S/C11H11N4O9P/c1-24-11(18)14-10(25(21,22)23)5-2-4(15(19)20)3-6-7(5)13-9(17)8(16)12-6/h2-3,10H,1H3,(H,12,16)(H,13,17)(H,14,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,21,16,17,7,15,8,12,10,6,3,14,9,5,18,13,11,4,19,20,23,24,25,2,22/E:(19,20)(21,22,23)/CRV:15.5/rA:25COCONCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;d18;s18;s7d17;s6;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-MZDRYMGIBHVQBS_on_Q05586_WT,Low,ChEMBL30,CHEMBL3944810,COc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1,MZDRYMGIBHVQBS,MZDRYMGIBHVQBS-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O2/c1-29-11-4-13(12-2-9(12)7-23)27-16(5-11)24-10(3-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h3-6,9,12H,2,8H2,1H3","""AuxInfo=1/0/N:1,25,19,29,4,16,27,8,26,7,3,24,23,11,17,5,20,12,18,13,14,15,28,6,10,9,22,21,2/E:(20,21,22)/rA:29COCCCNCCNNCCFFFCCClCCONCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s12;s12;s11;s9d16;s17;d7;s19;d20;s5s20;s22;s23;s24;s24s25;s26;t27;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-MZDRYMGIBHVQBS_on_Q12879_WT,Low,ChEMBL30,CHEMBL3944810,COc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1,MZDRYMGIBHVQBS,MZDRYMGIBHVQBS-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O2/c1-29-11-4-13(12-2-9(12)7-23)27-16(5-11)24-10(3-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h3-6,9,12H,2,8H2,1H3","""AuxInfo=1/0/N:1,25,19,29,4,16,27,8,26,7,3,24,23,11,17,5,20,12,18,13,14,15,28,6,10,9,22,21,2/E:(20,21,22)/rA:29COCCCNCCNNCCFFFCCClCCONCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s12;s12;s11;s9d16;s17;d7;s19;d20;s5s20;s22;s23;s24;s24s25;s26;t27;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-MZFKWSFOAVBLQM_on_O00591_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_O14764_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P14867_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P18505_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P18507_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P28472_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P31644_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P34903_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P47869_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P47870_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P48169_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_P78334_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_Q16445_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZFKWSFOAVBLQM_on_Q99928_WT,Low,ChEMBL30,CHEMBL309517,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C,MZFKWSFOAVBLQM,MZFKWSFOAVBLQM-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-15-5-8-22-21(10-15)24-14-26(22)18-6-7-20-19(12-18)16(13-23-20)11-17-4-3-9-25(17)2/h5-8,10,12-14,17,23H,3-4,9,11H2,1-2H3","""AuxInfo=1/0/N:1,26,23,22,3,16,15,4,24,7,20,12,18,9,2,19,21,11,13,14,6,5,17,8,25,10/rA:26CCCCCCCNCNCCCCCCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s21s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-MZGKIGRVCYKVPS_on_P14867_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.440;  8.440,8.44,0.0,0.0,2.0,8.44,0.0
-MZGKIGRVCYKVPS_on_P18507_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339;CHEMBL683015;CHEMBL680293;CHEMBL681090;CHEMBL685340;CHEMBL681405;CHEMBL682253;CHEMBL681641,PMID:11881985,2002.0,PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794,2003;2002;2002;2002;2002;2003;2003;2003,0,0,0,1,0,,=,  9.300;  8.280;  8.440;  8.000;  9.300;  8.280;  8.000;  8.440,8.505,0.485,0.183,8.0,8.36,0.22
-MZGKIGRVCYKVPS_on_P28472_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL685339;CHEMBL681090;CHEMBL685340;CHEMBL680293;CHEMBL683015;CHEMBL682253;CHEMBL681405,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794,2003;2003;2002;2002;2002;2002;2003;2003,0,0,0,1,0,,=,  8.440;  9.300;  8.000;  9.300;  8.440;  8.280;  8.000;  8.280,8.505,0.485,0.183,8.0,8.36,0.22
-MZGKIGRVCYKVPS_on_P31644_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  9.300;  9.300,9.3,0.0,0.0,2.0,9.3,0.0
-MZGKIGRVCYKVPS_on_P34903_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.000;  8.000,8.0,0.0,0.0,2.0,8.0,0.0
-MZGKIGRVCYKVPS_on_P47869_WT,Low,ChEMBL30,CHEMBL17547,CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1,MZGKIGRVCYKVPS,MZGKIGRVCYKVPS-UHFFFAOYSA-N,"InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,11,10,22,4,21,15,5,7,14,8,2,16,12,6,9,13/E:(1,2)/rA:22CCCCCOCCSCCOSCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s18;s15d19;s7d14;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.280;  8.280,8.28,0.0,0.0,2.0,8.28,0.0
-MZLFWWUYWRMFND_on_P41594_WT,High,ChEMBL30,CHEMBL191147,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)c(F)cc1,MZLFWWUYWRMFND,MZLFWWUYWRMFND-UHFFFAOYSA-N,"InChI=1S/C22H15F2N3O/c23-18-12-11-16(13-19(18)24)22(28)25-21-14-20(15-7-3-1-4-8-15)26-27(21)17-9-5-2-6-10-17/h1-14H,(H,25,28)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,28,27,22,5,7,21,15,25,23,6,4,2,26,24,3,13,14,1/E:(3,4)(5,6)(7,8)(9,10)/rA:28OCNCCCCCCCCCNNCCCCCCCCCFCFCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s23;d23;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-MZMCZACACVQCBM_on_Q13255_WT,High,ChEMBL30,CHEMBL572144,CC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1,MZMCZACACVQCBM,MZMCZACACVQCBM-UHFFFAOYSA-N,"InChI=1S/C18H16FN3OS/c1-12(2)22(17(23)13-6-8-14(19)9-7-13)18-21-16(11-24-18)15-5-3-4-10-20-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,8,13,9,12,21,23,2,7,10,17,16,5,14,11,22,15,4,6,24/E:(1,2)(6,7)(8,9)/rA:24CCCNCOCCCCFCCCNCCCCCCNCS/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;s7d12;s4;d14;s15;s16;d17;s18;d19;s20;s17d21;d16;s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-MZMZMDCWQLMSOD_on_P41594_WT,High,ChEMBL30,CHEMBL188871,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccs1,MZMZMDCWQLMSOD,MZMZMDCWQLMSOD-UHFFFAOYSA-N,"InChI=1S/C20H15N3OS/c24-20(18-12-7-13-25-18)21-19-14-17(15-8-3-1-4-9-15)22-23(19)16-10-5-2-6-11-16/h1-14H,(H,21,24)","""AuxInfo=1/1/N:10,18,9,11,17,19,23,8,12,16,20,22,24,5,7,15,6,21,4,2,3,13,14,1,25/E:(3,4)(5,6)(8,9)(10,11)/rA:25OCNCCCCCCCCCNNCCCCCCCCCCS/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-MZORWVAOAZKNDU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106566,CCc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OCC1CC1,MZORWVAOAZKNDU,MZORWVAOAZKNDU-UHFFFAOYSA-N,"InChI=1S/C27H33N3O2/c1-5-21-8-9-22(14-25(21)32-16-20-6-7-20)27-29-26(23-12-17(2)28-18(3)13-23)24-10-11-31-19(4)15-30(24)27/h8-9,12-14,19-20H,5-7,10-11,15-16H2,1-4H3","""AuxInfo=1/0/N:1,13,16,23,2,31,32,4,5,19,20,11,17,26,24,29,12,15,22,30,3,6,10,18,27,9,7,14,8,25,21,28/E:(2,3)(6,7)(12,13)(17,18)/rA:32CCCCCCCNCCCCCNCCCCCCOCCCNCCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;s28;s29;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-MZQDBGVUOJXXNI_on_Q14833_WT,High,ChEMBL30,CHEMBL1921853,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ccccc1,MZQDBGVUOJXXNI,MZQDBGVUOJXXNI-UHFFFAOYSA-N,"InChI=1S/C19H14N2O5S2/c22-19(14-6-2-1-3-7-14)20-15-10-12-16(13-11-15)21-27(23,24)17-8-4-5-9-18(17)28(21,25)26/h1-13H,(H,20,22)","""AuxInfo=1/1/N:26,25,27,15,16,24,28,14,17,5,22,6,21,23,4,7,13,12,2,3,8,1,19,20,10,11,18,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-MZRLPXFGQKQHST_on_Q14833_WT,High,ChEMBL30,CHEMBL4162576,O=C(Nc1ccc(Oc2ncc(Cl)cc2)c(Cl)c1)c1ncccc1,MZRLPXFGQKQHST,MZRLPXFGQKQHST-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)","""AuxInfo=1/1/N:23,22,24,14,5,6,15,21,18,11,12,4,16,19,7,9,2,13,17,20,10,3,1,8/rA:24OCNCCCCOCNCCClCCCClCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s7;s16;s4d16;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4369692,PMID:29057060,2017.0,PMID:30881607,2019,0,1,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-MZRRIRREJPBTPH_on_P41594_WT,High,ChEMBL30,CHEMBL1290442,O=C(COCc1nccs1)N1CCN(c2ccc(Cl)cc2Cl)CC1,MZRRIRREJPBTPH,MZRRIRREJPBTPH-UHFFFAOYSA-N,"InChI=1S/C16H17Cl2N3O2S/c17-12-1-2-14(13(18)9-12)20-4-6-21(7-5-20)16(22)11-23-10-15-19-3-8-24-15/h1-3,8-9H,4-7,10-11H2","""AuxInfo=1/0/N:17,16,8,13,23,12,24,9,20,5,3,18,21,15,6,2,19,22,7,14,11,1,4,10/E:(4,5)(6,7)/rA:24OCCOCCNCCSNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s6s9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-MZWXHHGADOAART_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3895620,CNc1ncc(Nc2c3ncccc3n[nH]2)cc1Cl,MZWXHHGADOAART,MZWXHHGADOAART-UHFFFAOYSA-N,"InChI=1S/C12H11ClN6/c1-14-11-8(13)5-7(6-16-11)17-12-10-9(18-19-12)3-2-4-15-10/h2-6H,1H3,(H,14,16)(H2,17,18,19)","""AuxInfo=1/1/N:1,12,13,11,17,5,6,18,14,9,3,8,19,2,10,4,7,15,16/rA:19CNCNCCNCCNCCCCNNCCCl/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-MZYXACXBSSTJLY_on_P31644_WT,High,ChEMBL30,CHEMBL3676525,Cc1c(COc2ccc(C(=O)N3CCn4cnnc4C3)cn2)c(-c2ccccc2)no1,MZYXACXBSSTJLY,MZYXACXBSSTJLY-UHFFFAOYSA-N,"InChI=1S/C22H20N6O3/c1-15-18(21(26-31-15)16-5-3-2-4-6-16)13-30-20-8-7-17(11-23-20)22(29)27-9-10-28-14-24-25-19(28)12-27/h2-8,11,14H,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,27,26,28,25,29,8,7,13,14,21,20,4,16,2,24,9,3,19,6,23,10,22,17,18,30,12,15,11,5,31/E:(3,4)(5,6)/rA:31CCCCOCCCCCONCCNCNNCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;s17;s15d18;s12s19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-NADNOPSVGHDFRP_on_O00222_WT,High,ExCAPE-DB,73058504,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(N(C)C(C)=O)cc3)c2C)cc1,NADNOPSVGHDFRP,NADNOPSVGHDFRP-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-14-23(17(2)27(16)21-8-6-19(7-9-21)25(30)31-5)24(29)15-32-22-12-10-20(11-13-22)26(4)18(3)28/h6-14H,15H2,1-5H3","""AuxInfo=1/0/N:11,30,25,23,1,6,32,7,31,20,27,19,28,12,16,10,29,24,5,21,8,18,13,14,3,22,9,26,15,4,2,17/E:(6,7)(8,9)(10,11)(12,13)/rA:32COCOCCCCNCCCCCOCSCCCCNCCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s22;s24;d24;s21;s18d27;s9d13;s29;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.481,5.481,0.0,0.0,1.0,5.481,0.0
-NADNOPSVGHDFRP_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561870,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(N(C)C(C)=O)cc3)c2C)cc1,NADNOPSVGHDFRP,NADNOPSVGHDFRP-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-14-23(17(2)27(16)21-8-6-19(7-9-21)25(30)31-5)24(29)15-32-22-12-10-20(11-13-22)26(4)18(3)28/h6-14H,15H2,1-5H3","""AuxInfo=1/0/N:11,30,25,23,1,6,32,7,31,20,27,19,28,12,16,10,29,24,5,21,8,18,13,14,3,22,9,26,15,4,2,17/E:(6,7)(8,9)(10,11)(12,13)/rA:32COCOCCCCNCCCCCOCSCCCCNCCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s22;s24;d24;s21;s18d27;s9d13;s29;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NADNOPSVGHDFRP_on_Q14833_WT,High,ExCAPE-DB,73058504,COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(N(C)C(C)=O)cc3)c2C)cc1,NADNOPSVGHDFRP,NADNOPSVGHDFRP-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-14-23(17(2)27(16)21-8-6-19(7-9-21)25(30)31-5)24(29)15-32-22-12-10-20(11-13-22)26(4)18(3)28/h6-14H,15H2,1-5H3","""AuxInfo=1/0/N:11,30,25,23,1,6,32,7,31,20,27,19,28,12,16,10,29,24,5,21,8,18,13,14,3,22,9,26,15,4,2,17/E:(6,7)(8,9)(10,11)(12,13)/rA:32COCOCCCCNCCCCCOCSCCCCNCCCOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s22;s24;d24;s21;s18d27;s9d13;s29;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NAGYYVWENUNCDU_on_P14867_WT,Low,ChEMBL30,CHEMBL488283,CCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,NAGYYVWENUNCDU,NAGYYVWENUNCDU-UHFFFAOYSA-N,"InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,2,18,17,19,3,16,20,12,11,14,21,23,15,13,9,6,10,4,7,22,5,8/E:(4,5)(7,8)/rA:23CCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-NAGYYVWENUNCDU_on_P18507_WT,Low,ChEMBL30,CHEMBL488283,CCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,NAGYYVWENUNCDU,NAGYYVWENUNCDU-UHFFFAOYSA-N,"InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,2,18,17,19,3,16,20,12,11,14,21,23,15,13,9,6,10,4,7,22,5,8/E:(4,5)(7,8)/rA:23CCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-NAGYYVWENUNCDU_on_P47870_WT,Low,ChEMBL30,CHEMBL488283,CCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,NAGYYVWENUNCDU,NAGYYVWENUNCDU-UHFFFAOYSA-N,"InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,2,18,17,19,3,16,20,12,11,14,21,23,15,13,9,6,10,4,7,22,5,8/E:(4,5)(7,8)/rA:23CCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-NAHAVHCEXHRDED_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110884,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)ccn1,NAHAVHCEXHRDED,NAHAVHCEXHRDED-UHFFFAOYSA-N,"InChI=1S/C21H18F5N3O2/c1-12-8-13(4-6-27-12)19-17-5-7-30-15(10-22)11-29(17)20(28-19)14-2-3-18(16(23)9-14)31-21(24,25)26/h2-4,6,8-9,15H,5,7,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,29,7,30,8,3,27,11,13,2,4,16,10,25,6,19,5,15,21,12,26,22,23,24,31,28,14,9,20/E:(24,25,26)/rA:31CCCCCCCCOCCFCNCCCCCOCFFFCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-NAIGQUOPDWXADX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111067,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)F)c3)n2)ccn1,NAIGQUOPDWXADX,NAIGQUOPDWXADX-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-12-9-14(5-7-25-12)19-17-6-8-28-13(2)11-27(17)20(26-19)15-3-4-16(22)18(10-15)29-21(23)24/h3-5,7,9-10,13,21H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,18,6,20,5,14,22,19,23,24,29,26,13,9,21/E:(23,24)/rA:29CCCCCCCCOCCCNCCCCCFCOCFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s22;s15d20;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-NAIYZHOZZGJYCG_on_P41594_WT,High,ChEMBL30,CHEMBL202802,CN1CCSC1=NC(=O)Nc1cccc(Cl)c1,NAIYZHOZZGJYCG,NAIYZHOZZGJYCG-UHFFFAOYSA-N,"InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)","""AuxInfo=1/1/N:1,13,14,12,3,4,17,15,11,8,6,16,10,7,2,9,5/rA:17CNCCSCNCONCCCCCClC/rB:s1;s2;s3;s4;s2s5;w?6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-NANCFADVIHSXEF_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797925,CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1,NANCFADVIHSXEF,NANCFADVIHSXEF-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2S/c1-3-21(15-6-4-13(19)5-7-15)11-14-10-17(24)22-16(8-9-23)12(2)25-18(22)20-14/h4-7,10,23H,3,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,15,2,21,24,20,25,11,12,6,4,14,22,5,19,10,7,17,23,18,3,9,13,8,16/E:(4,5)(6,7)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-NANCFADVIHSXEF_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797925,CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1,NANCFADVIHSXEF,NANCFADVIHSXEF-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2S/c1-3-21(15-6-4-13(19)5-7-15)11-14-10-17(24)22-16(8-9-23)12(2)25-18(22)20-14/h4-7,10,23H,3,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,15,2,21,24,20,25,11,12,6,4,14,22,5,19,10,7,17,23,18,3,9,13,8,16/E:(4,5)(6,7)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-NANZGXWLVGECAD_on_P41594_WT,High,ChEMBL30,CHEMBL3759888,N#Cc1cccc(C#CC2CCCC3CN(c4ncccc4C#N)CCN23)c1,NANZGXWLVGECAD,NANZGXWLVGECAD-UHFFFAOYSA-N,"InChI=1S/C23H21N5/c24-15-19-5-1-4-18(14-19)9-10-21-7-2-8-22-17-27(12-13-28(21)22)23-20(16-25)6-3-11-26-23/h1,3-6,11,14,21-22H,2,7-8,12-13,17H2","""AuxInfo=1/0/N:5,12,20,6,4,21,11,13,8,9,19,25,26,28,2,23,15,7,3,22,10,14,17,1,24,18,16,27/rA:28NCCCCCCCCCCCCCCNCNCCCCCNCCNC/rB:t1;s2;d3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;t23;s16;s25;s10s14s26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3761222,PMID:26706173,2016.0,PMID:26706173,2016,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NAOYZIYHRZAKBG_on_P41594_WT,High,ChEMBL30,CHEMBL3746779,O=C1c2cc(COc3cccnc3)nn2CCN1c1ccc(F)cc1,NAOYZIYHRZAKBG,NAOYZIYHRZAKBG-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-3-5-15(6-4-13)22-8-9-23-17(18(22)24)10-14(21-23)12-25-16-2-1-7-20-11-16/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:10,9,21,24,20,25,11,17,16,4,13,6,22,5,19,8,3,2,23,12,14,18,15,1,7/E:(3,4)(5,6)/rA:25OCCCCCOCCCCNCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.400;  5.400,5.4,0.0,0.0,2.0,5.4,0.0
-NAPPIKLIVCBXGG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3975965,O=C(NC12CC3CC(CC(C#Cc4cnccn4)(C3)C1)C2)c1cc(F)cnc1,NAPPIKLIVCBXGG,NAPPIKLIVCBXGG-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O/c23-18-6-17(11-25-12-18)20(28)27-22-9-15-5-16(10-22)8-21(7-15,14-22)2-1-19-13-24-3-4-26-19/h3-4,6,11-13,15-16H,5,7-10,14H2,(H,27,28)","""AuxInfo=1/1/N:12,11,16,17,7,23,9,19,21,5,28,26,14,20,8,6,22,24,13,2,10,4,25,15,27,18,3,1/E:(7,8)(9,10)(15,16)/rA:28OCNCCCCCCCCCCCNCCNCCCCCCFCNC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6s10;s4s10;s4s8;s2;d22;s23;s24;d24;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-NAPZSTOOVHXHKA_on_O00222_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2066315,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_O15303_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2066313,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_P41594_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2065269,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_Q13255_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2067893,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_Q14416_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2067894,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_Q14831_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2066314,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_Q14832_WT,Low,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2067895,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NAPZSTOOVHXHKA_on_Q14833_WT,High,ChEMBL30,CHEMBL2063423,O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2,NAPZSTOOVHXHKA,NAPZSTOOVHXHKA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)","""AuxInfo=1/1/N:20,19,6,7,21,18,5,8,11,16,12,17,4,13,2,10,9,3,14,1,15,22/rA:22OCNCCCCCNCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2067885,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-NAQODRYELYCKDS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11206949;CHEMBL183081,Cc1nc(C(=O)Nc2ccccn2)c(N)nc1,NAQODRYELYCKDS,NAQODRYELYCKDS-UHFFFAOYSA-N,"InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)","""AuxInfo=1/1/N:1,10,11,9,12,17,2,8,4,14,5,15,13,16,3,7,6/rA:17CCNCCONCCCCCNCNNC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;d4;s14;s14;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242780;CHEMBL828680,PMID:15686941,2005.0,PubChemAID:242780;PMID:15686941,2010;2005,0;1,0,0,0,1;0,,=,  7.553;  7.550,7.551,0.002,0.002,2.0,7.551,0.002
-NATMNENXSARREL_on_O00591_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_O14764_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P14867_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P18505_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P18507_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P28472_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P31644_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P34903_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P47869_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P47870_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P48169_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_P78334_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATMNENXSARREL_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322876,CCc1c(C(=O)O)cnc(N)c1,NATMNENXSARREL,NATMNENXSARREL-UHFFFAOYSA-N,"InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,12,8,3,4,10,5,11,9,6,7/E:(11,12)/rA:12CCCCCOOCNCNC/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s10;s3d10;/rC:;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.030;  5.030,5.03,0.0,0.0,2.0,5.03,0.0
-NATNDQJDDLKNDS_on_Q05586_WT,Low,ChEMBL30,CHEMBL228380,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,NATNDQJDDLKNDS,NATNDQJDDLKNDS-UHFFFAOYSA-N,"InChI=1S/C26H39N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-13,28-29H,5-9,14-21,27H2,(H,30,32)","""AuxInfo=1/1/N:22,31,23,30,3,4,12,13,8,21,32,24,29,25,26,2,5,11,7,9,14,20,27,19,28,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s26;s18d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.930;  6.570,6.75,0.18,0.18,2.0,6.75,0.18
-NATNDQJDDLKNDS_on_Q12879_WT,Low,ChEMBL30,CHEMBL228380,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,NATNDQJDDLKNDS,NATNDQJDDLKNDS-UHFFFAOYSA-N,"InChI=1S/C26H39N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-13,28-29H,5-9,14-21,27H2,(H,30,32)","""AuxInfo=1/1/N:22,31,23,30,3,4,12,13,8,21,32,24,29,25,26,2,5,11,7,9,14,20,27,19,28,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s26;s18d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-NATNDQJDDLKNDS_on_Q13224_WT,Low,ChEMBL30,CHEMBL228380,NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2,NATNDQJDDLKNDS,NATNDQJDDLKNDS-UHFFFAOYSA-N,"InChI=1S/C26H39N5O/c27-16-5-6-17-28-19-9-20-29-18-7-8-21-30-26(32)31-24-12-3-1-10-22(24)14-15-23-11-2-4-13-25(23)31/h1-4,10-13,28-29H,5-9,14-21,27H2,(H,30,32)","""AuxInfo=1/1/N:22,31,23,30,3,4,12,13,8,21,32,24,29,25,26,2,5,11,7,9,14,20,27,19,28,16,1,6,10,15,18,17/E:(1,2)(3,4)(10,11)(12,13)(14,15)(22,23)(24,25)/rA:32NCCCCNCCCNCCCCNCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s20;s25;s26;s18d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-NAWKZJXFVLTRIY_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11186076;CHEMBL441844,CCc1c(O)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,NAWKZJXFVLTRIY,NAWKZJXFVLTRIY-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-3-12-10-15-11-14(6-9-17(15)20-19(12)22)18(21)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,18,2,14,20,9,15,19,8,23,21,3,13,10,22,16,7,11,4,6,12,5,17/E:(4,5)(7,8)/rA:23CCCCONCCCCCOCCCCOCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s16;s13s19;d10;s7s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  7.071;  7.070,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-NAXOZSWVZBCFEI_on_P41594_WT,High,ChEMBL30,CHEMBL3747597,O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1,NAXOZSWVZBCFEI,NAXOZSWVZBCFEI-UHFFFAOYSA-N,"InChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2","""AuxInfo=1/0/N:11,10,12,9,13,17,16,4,21,24,6,22,5,8,3,2,19,23,20,25,14,18,15,1,7/E:(2,3)(4,5)(9,10)(19,20)/rA:25OCCCCCOCCCCCCNNCCNCNCCFCN/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.120;  6.120,6.12,0.0,0.0,2.0,6.12,0.0
-NAXQMHFPIJJLAL_on_P41594_WT,Low,ChEMBL30,CHEMBL1092275,COc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1,NAXQMHFPIJJLAL,NAXQMHFPIJJLAL-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2S/c1-8-19-14(17)11-12-13(24-15(11)20-8)16(22)21(7-18-12)9-3-5-10(23-2)6-4-9/h3-7H,1-2H3,(H2,17,19,20)","""AuxInfo=1/1/N:19,1,5,23,4,24,8,18,6,3,14,10,11,15,13,21,16,9,17,20,7,22,2,12/E:(3,4)(5,6)/rA:24COCCCCNCNCCSCCCNNCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;d15;s17;s18;s13d18;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NAXQMHFPIJJLAL_on_Q13255_WT,High,ChEMBL30,CHEMBL1092275,COc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1,NAXQMHFPIJJLAL,NAXQMHFPIJJLAL-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2S/c1-8-19-14(17)11-12-13(24-15(11)20-8)16(22)21(7-18-12)9-3-5-10(23-2)6-4-9/h3-7H,1-2H3,(H2,17,19,20)","""AuxInfo=1/1/N:19,1,5,23,4,24,8,18,6,3,14,10,11,15,13,21,16,9,17,20,7,22,2,12/E:(3,4)(5,6)/rA:24COCCCCNCNCCSCCCNNCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;d15;s17;s18;s13d18;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-NAXZRUMPHRMRDF_on_O00591_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_O14764_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P14867_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P18505_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P18507_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P28472_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P31644_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P34903_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P47869_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P47870_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P48169_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_P78334_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_Q16445_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NAXZRUMPHRMRDF_on_Q99928_WT,Low,ChEMBL30,CHEMBL90791,COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,NAXZRUMPHRMRDF,NAXZRUMPHRMRDF-UHFFFAOYSA-N,"InChI=1S/C20H26O2S2/c1-20(2,3)17-13-23-19(24-14-17)16-11-9-15(10-12-16)7-5-6-8-18(21)22-4/h9-12,17,19H,6,8,13-14H2,1-4H3","""AuxInfo=1/0/N:18,19,20,1,7,6,8,5,10,24,11,23,15,21,9,12,16,3,13,17,4,2,14,22/E:(1,2,3)(9,10)(11,12)(13,14)(23,24)/rA:24COCOCCCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s17;s17;s17;s16;s13s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NBADJXJJEOBBNM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3919586,COc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1,NBADJXJJEOBBNM,NBADJXJJEOBBNM-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-27-20-18(14-28-17-5-3-2-4-6-17)23-25-12-11-24(13-19(20)25)21(26)15-7-9-16(22)10-8-15/h2-10H,11-14H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,28,10,15,11,14,16,17,5,21,9,12,23,20,4,3,7,13,19,6,18,8,2,22/E:(3,4)(5,6)(7,8)(9,10)/rA:28COCCCNCOCCCCFCCCCNNCCOCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s12;s9d14;s6;s16;s4s17;s18;s3d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-NBAKIHCDPVZWRB_on_O00222_WT,Medium,ChEMBL30,CHEMBL439775,CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,NBAKIHCDPVZWRB,NBAKIHCDPVZWRB-UHFFFAOYSA-N,"InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,2,15,23,16,24,14,22,17,25,11,3,13,21,12,18,20,4,8,5,26,9,10,6,7,27,28,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/rA:28CCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s12d20;s21;d22;s23;s20d24;s9;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NBAKIHCDPVZWRB_on_P41594_WT,Low,ChEMBL30,CHEMBL439775,CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,NBAKIHCDPVZWRB,NBAKIHCDPVZWRB-UHFFFAOYSA-N,"InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,2,15,23,16,24,14,22,17,25,11,3,13,21,12,18,20,4,8,5,26,9,10,6,7,27,28,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/rA:28CCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s12d20;s21;d22;s23;s20d24;s9;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NBAKIHCDPVZWRB_on_Q13255_WT,Low,ChEMBL30,CHEMBL439775,CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,NBAKIHCDPVZWRB,NBAKIHCDPVZWRB-UHFFFAOYSA-N,"InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,2,15,23,16,24,14,22,17,25,11,3,13,21,12,18,20,4,8,5,26,9,10,6,7,27,28,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/rA:28CCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s12d20;s21;d22;s23;s20d24;s9;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NBAKIHCDPVZWRB_on_Q14831_WT,Medium,ChEMBL30,CHEMBL439775,CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,NBAKIHCDPVZWRB,NBAKIHCDPVZWRB-UHFFFAOYSA-N,"InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,2,15,23,16,24,14,22,17,25,11,3,13,21,12,18,20,4,8,5,26,9,10,6,7,27,28,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/rA:28CCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s12d20;s21;d22;s23;s20d24;s9;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-NBAKIHCDPVZWRB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL439775,CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,NBAKIHCDPVZWRB,NBAKIHCDPVZWRB-UHFFFAOYSA-N,"InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,2,15,23,16,24,14,22,17,25,11,3,13,21,12,18,20,4,8,5,26,9,10,6,7,27,28,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/rA:28CCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s12d20;s21;d22;s23;s20d24;s9;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.220,4.22,0.0,0.0,1.0,4.22,0.0
-NBDNNRXDKVMOIX_on_P41594_WT,Low,ChEMBL30,CHEMBL248208,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1,NBDNNRXDKVMOIX,NBDNNRXDKVMOIX-UHFFFAOYSA-N,"InChI=1S/C18H13BrN4O/c1-12-21-17-16(11-20-23(17)15-5-3-2-4-6-15)18(24)22(12)14-9-7-13(19)8-10-14/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,23,19,24,6,2,21,18,9,5,4,15,22,7,3,17,8,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NBDNNRXDKVMOIX_on_Q13255_WT,High,ChEMBL30,CHEMBL248208,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1,NBDNNRXDKVMOIX,NBDNNRXDKVMOIX-UHFFFAOYSA-N,"InChI=1S/C18H13BrN4O/c1-12-21-17-16(11-20-23(17)15-5-3-2-4-6-15)18(24)22(12)14-9-7-13(19)8-10-14/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,23,19,24,6,2,21,18,9,5,4,15,22,7,3,17,8,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-NBEVKDFCWNYVCR_on_P41594_WT,High,ChEMBL30,CHEMBL3605298,CC1(C)c2c(CCN1C(=O)c1ccc(F)cc1)nc(COc1ccccc1)o2,NBEVKDFCWNYVCR,NBEVKDFCWNYVCR-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O3/c1-22(2)20-18(24-19(28-20)14-27-17-6-4-3-5-7-17)12-13-25(22)21(26)15-8-10-16(23)11-9-15/h3-11H,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,25,24,26,23,27,12,17,13,16,6,7,20,11,14,22,5,19,4,9,2,15,18,8,10,21,28/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CCCCCCCNCOCCCCFCCNCCOCCCCCCO/rB:s1;s2;s2;d4;s5;s6;s2s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s5;d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-NBFQPNLHASJVCL_on_P18507_WT,Low,ChEMBL30,CHEMBL1079519,CCS(=O)(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,NBFQPNLHASJVCL,NBFQPNLHASJVCL-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5O2S/c1-2-23(21,22)14-12-6-20-13(16-7-18-20)10-5-9(15)3-4-11(10)19(12)8-17-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,13,6,19,12,23,10,21,9,4,5,3/E:(21,22)/CRV:23.6/rA:23CCSOOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;d3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-NBFQPNLHASJVCL_on_P28472_WT,Low,ChEMBL30,CHEMBL1079519,CCS(=O)(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,NBFQPNLHASJVCL,NBFQPNLHASJVCL-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5O2S/c1-2-23(21,22)14-12-6-20-13(16-7-18-20)10-5-9(15)3-4-11(10)19(12)8-17-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,13,6,19,12,23,10,21,9,4,5,3/E:(21,22)/CRV:23.6/rA:23CCSOOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;d3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-NBFQPNLHASJVCL_on_P31644_WT,Low,ChEMBL30,CHEMBL1079519,CCS(=O)(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,NBFQPNLHASJVCL,NBFQPNLHASJVCL-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5O2S/c1-2-23(21,22)14-12-6-20-13(16-7-18-20)10-5-9(15)3-4-11(10)19(12)8-17-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,13,6,19,12,23,10,21,9,4,5,3/E:(21,22)/CRV:23.6/rA:23CCSOOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;d3;s3;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-NBIZENCYFKRDQP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029814;70685767,Cc1nc(C)c(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cc1,NBIZENCYFKRDQP,NBIZENCYFKRDQP-UHFFFAOYSA-N,"InChI=1S/C23H21N3O2/c1-15-3-10-22(16(2)25-15)28-19-8-6-18(7-9-19)20-11-12-26(14-17-4-5-17)23(27)21(20)13-24/h3,6-12,17H,4-5,14H2,1-2H3","""AuxInfo=1/0/N:1,5,28,21,22,10,25,9,26,27,24,23,14,19,2,4,20,11,8,12,13,6,16,15,3,18,17,7/E:(4,5)(6,7)(8,9)/rA:28CCNCCCOCCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s20s21;s18;s12d23;s11;s8d25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  6.580;  6.580,6.58,0.0,0.0,2.0,6.58,0.0
-NBJDHGPCOSRKPB_on_Q05586_WT,Low,ChEMBL30,CHEMBL596038,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1,NBJDHGPCOSRKPB,NBJDHGPCOSRKPB-UHFFFAOYSA-N,"InChI=1S/C17H17Cl2N3O4S/c1-27(25,26)22-13-6-2-11(3-7-13)4-9-16(23)20-21-17(24)12-5-8-14(18)15(19)10-12/h2-3,5-8,10,22H,4,9H2,1H3,(H,20,23)(H,21,24)","""AuxInfo=1/1/N:1,8,26,10,19,7,27,20,11,25,9,18,6,21,23,12,16,22,24,14,15,5,13,17,3,4,2/E:(2,3)(6,7)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONNCOCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;d18;s19;d20;s21;s21;s23;s18d23;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-NBJDHGPCOSRKPB_on_Q13224_WT,Low,ChEMBL30,CHEMBL596038,CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1,NBJDHGPCOSRKPB,NBJDHGPCOSRKPB-UHFFFAOYSA-N,"InChI=1S/C17H17Cl2N3O4S/c1-27(25,26)22-13-6-2-11(3-7-13)4-9-16(23)20-21-17(24)12-5-8-14(18)15(19)10-12/h2-3,5-8,10,22H,4,9H2,1H3,(H,20,23)(H,21,24)","""AuxInfo=1/1/N:1,8,26,10,19,7,27,20,11,25,9,18,6,21,23,12,16,22,24,14,15,5,13,17,3,4,2/E:(2,3)(6,7)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONNCOCCCCClCClCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;d18;s19;d20;s21;s21;s23;s18d23;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-NBLCXLMMHPGZSD_on_P41594_WT,High,ChEMBL30,CHEMBL2164549,N#Cc1cc(F)cc(-c2nc(-c3nccnc3)no2)c1,NBLCXLMMHPGZSD,NBLCXLMMHPGZSD-UHFFFAOYSA-N,"InChI=1S/C13H6FN5O/c14-10-4-8(6-15)3-9(5-10)13-18-12(19-20-13)11-7-16-1-2-17-11/h1-5,7H","""AuxInfo=1/0/N:15,14,20,4,7,2,17,3,8,5,12,11,9,6,1,16,13,10,18,19/rA:20NCCCCFCCCNCCNCCNCNOC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-NBLMHSHXYPPRSQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3133886,O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(C(F)(F)F)c(OCCCF)c2)N1,NBLMHSHXYPPRSQ,NBLMHSHXYPPRSQ-UHFFFAOYSA-N,"InChI=1S/C22H18F4N4O2/c23-5-2-8-32-20-11-19-18(10-16(20)22(24,25)26)29-21(31)12-17(28-19)14-3-1-4-15(9-14)30-7-6-27-13-30/h1,3-4,6-7,9-11,13H,2,5,8,12H2,(H,29,31)","""AuxInfo=1/1/N:7,28,6,8,29,12,11,27,15,19,31,3,14,5,9,20,4,18,17,25,2,21,30,22,23,24,13,16,32,10,1,26/E:(24,25,26)/rA:32OCCCCCCCCNCCNCCNCCCCCFFFCOCCCFCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s5d9;w?4;s16;d17;s18;d19;s20;s21;s21;s21;s20;s25;s26;s27;s28;s29;s17d25;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3137095,DOI:10.1039/C3MD00110E,2013.0,DOI:10.1039/C3MD00110E,2013,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-NBOAWMUWUXJPTE_on_O00222_WT,Low,ChEMBL30,CHEMBL1682821,O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1,NBOAWMUWUXJPTE,NBOAWMUWUXJPTE-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c17-14-8-9-19-15-10-12(6-7-13(14)15)20-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2","""AuxInfo=1/0/N:18,17,19,16,20,5,6,10,11,14,15,4,7,8,13,2,9,1,12,3/E:(2,3)(4,5)/rA:20OCOCCCCCOCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s7s12;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2426819,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NBOAWMUWUXJPTE_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682821;CHEMBL1682821;CHEMBL1682821;53322382,O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1,NBOAWMUWUXJPTE,NBOAWMUWUXJPTE-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c17-14-8-9-19-15-10-12(6-7-13(14)15)20-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2","""AuxInfo=1/0/N:18,17,19,16,20,5,6,10,11,14,15,4,7,8,13,2,9,1,12,3/E:(2,3)(4,5)/rA:20OCOCCCCCOCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s7s12;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;CHEMBL2426830;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PMID:23947773;PubChemAID:579858,2011;2011;2013;2011,0,1;1;1;0,0,0,0;0;0;1,,=,  7.530;  7.520;  6.890;  7.530,7.367000000000001,0.276,0.159,4.0,7.525,0.005
-NBOAWMUWUXJPTE_on_Q13255_WT,Low,ChEMBL30,CHEMBL1682821,O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1,NBOAWMUWUXJPTE,NBOAWMUWUXJPTE-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c17-14-8-9-19-15-10-12(6-7-13(14)15)20-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2","""AuxInfo=1/0/N:18,17,19,16,20,5,6,10,11,14,15,4,7,8,13,2,9,1,12,3/E:(2,3)(4,5)/rA:20OCOCCCCCOCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s7s12;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2426825,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NBOAWMUWUXJPTE_on_Q14416_WT,Low,ChEMBL30,CHEMBL1682821,O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1,NBOAWMUWUXJPTE,NBOAWMUWUXJPTE-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c17-14-8-9-19-15-10-12(6-7-13(14)15)20-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2","""AuxInfo=1/0/N:18,17,19,16,20,5,6,10,11,14,15,4,7,8,13,2,9,1,12,3/E:(2,3)(4,5)/rA:20OCOCCCCCOCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s7s12;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2426824,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NBQMFMOLSXMPRR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3916486,CCC(O)(c1cn(Cc2ccc3c(-c4cccnc4F)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,NBQMFMOLSXMPRR,NBQMFMOLSXMPRR-UHFFFAOYSA-N,"InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)18-11-32(31-30-18)10-12-5-6-13-15(14-4-3-7-28-19(14)23)9-17(20(27)33)29-16(13)8-12/h3-9,11,34H,2,10H2,1H3,(H2,27,33)","""AuxInfo=1/1/N:1,2,16,15,10,11,17,28,21,8,6,9,12,14,13,27,22,5,19,23,3,31,20,32,33,34,24,18,26,30,29,7,25,4/E:(24,25,26)/rA:34CCCOCCNCCCCCCCCCCNCFCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-NBSSNOAXWSFOHY_on_P41594_WT,Low,ChEMBL30,CHEMBL2338562,N#Cc1cccc(C(=O)NC2CCCC(C(=O)Nc3ncccc3)C2)c1,NBSSNOAXWSFOHY,NBSSNOAXWSFOHY-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-17-8-4-7-16(12-17)20(26)24-18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,22,24,26)","""AuxInfo=1/1/N:23,22,5,13,4,6,14,12,24,21,26,25,2,3,7,15,11,19,8,16,1,20,10,18,9,17/rA:26NCCCCCCCONCCCCCCONCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s22;s19d23;s11s15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NCAKIOPOAXPXTE_on_Q14416_WT,High,ChEMBL30,CHEMBL1097052,CCCCCCC1CN(c2cc(Cl)ccc2)C(=O)O1,NCAKIOPOAXPXTE,NCAKIOPOAXPXTE-UHFFFAOYSA-N,"InChI=1S/C15H20ClNO2/c1-2-3-4-5-9-14-11-17(15(18)19-14)13-8-6-7-12(16)10-13/h6-8,10,14H,2-5,9,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,15,14,16,6,11,8,12,10,7,17,13,9,18,19/rA:19CCCCCCCCNCCCClCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d12;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-NCEYLPSUOCMOFL_on_P41594_WT,Low,ChEMBL30,CHEMBL205160,Cc1nc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)c1,NCEYLPSUOCMOFL,NCEYLPSUOCMOFL-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-13-9-18(23-12-16-5-4-6-17(20)10-16)11-19(21-13)22-14(2)7-8-15(22)3/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,7,11,18,17,19,8,9,23,22,12,15,2,6,10,16,20,13,4,21,3,5,14/E:(2,3)(7,8)(14,15)/rA:23CCNCNCCCCCCCCOCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d4;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NCHHUFRUEZCIEJ_on_P41594_WT,High,ChEMBL30,CHEMBL3603907,N#Cc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1,NCHHUFRUEZCIEJ,NCHHUFRUEZCIEJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H","""AuxInfo=1/0/N:14,15,13,20,4,7,10,2,18,3,8,5,9,11,6,1,19,17,16,12/rA:20NCCCCFCCCCCNCCCNNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;d13;s14;s12d15;d11;s17;s9d18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  6.400;  7.200,6.8,0.4,0.4,2.0,6.8,0.4
-NCMZONXKYXAKKN_on_Q14416_WT,High,ChEMBL30,CHEMBL3885277,Clc1c(OCc2ccccc2-c2ccccc2)ccn2c(CC3CC3)nnc12,NCMZONXKYXAKKN,NCMZONXKYXAKKN-UHFFFAOYSA-N,"InChI=1S/C23H20ClN3O/c24-22-20(12-13-27-21(14-16-10-11-16)25-26-23(22)27)28-15-18-8-4-5-9-19(18)17-6-2-1-3-7-17/h1-9,12-13,16H,10-11,14-15H2","""AuxInfo=1/0/N:15,14,16,8,9,13,17,7,10,24,25,18,19,22,5,23,12,6,11,3,21,2,28,1,26,27,20,4/E:(2,3)(6,7)(10,11)/rA:28ClCCOCCCCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s12d16;s3;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s2s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NCNPWLYEFJWJGR_on_P41594_WT,High,ChEMBL30,CHEMBL3600421,CCCC(NC(=O)c1nc(C)cs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,NCNPWLYEFJWJGR,NCNPWLYEFJWJGR-UHFFFAOYSA-N,"InChI=1S/C20H22ClN5OS/c1-4-5-17(26-19(27)20-24-13(3)11-28-20)14-8-16(21)18(23-9-14)25-15-7-6-12(2)22-10-15/h6-11,17H,4-5H2,1-3H3,(H,23,25)(H,26,27)","""AuxInfo=1/1/N:1,24,11,2,3,22,21,15,28,26,12,23,10,14,20,16,4,18,6,8,17,25,27,9,19,5,7,13/rA:28CCCCNCOCNCCCSCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s8s12;s4;d14;s15;s16;d16;s18;s19;d20;s21;d22;s23;s23;s20d25;s18;s14d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-NCQGVVAEVIWCSK_on_O15399_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_O60391_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQGVVAEVIWCSK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1197986,N=C(N)NN=Cc1ccncc1,NCQGVVAEVIWCSK,NCQGVVAEVIWCSK-UHFFFAOYSA-N,"InChI=1S/C7H9N5/c8-7(9)12-11-5-6-1-3-10-4-2-6/h1-5H,(H4,8,9,12)","""AuxInfo=1/1/N:8,12,9,11,6,7,2,1,3,10,5,4/E:(1,2)(3,4)(8,9)/rA:12NCNNNCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.270,3.27,0.0,0.0,1.0,3.27,0.0
-NCQLTOUJGLFTGO_on_Q13255_WT,High,ChEMBL30,CHEMBL177585,CCc1c(C)nc2ccc(C(=O)C3CCC(O)CC3)cc2c1,NCQLTOUJGLFTGO,NCQLTOUJGLFTGO-UHFFFAOYSA-N,"InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12(13)2)19(22)14-4-7-17(21)8-5-14/h6,9-11,14,17,21H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,5,2,14,19,9,15,18,8,22,20,4,3,13,10,21,16,7,11,6,17,12/E:(4,5)(7,8)/rA:22CCCCCNCCCCCOCCCCOCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;s16;s16;s13s18;d10;s7s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-NCULSSBWLJWKIQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL186212,c1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,NCULSSBWLJWKIQ,NCULSSBWLJWKIQ-UHFFFAOYSA-N,InChI=1S/C18H13N5/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)23-21-18(20-22-23)17-11-4-5-12-19-17/h1-13H,"""AuxInfo=1/0/N:1,2,23,18,17,7,3,22,6,8,19,16,21,4,5,9,14,13,15,12,20,11,10/E:(2,3)(7,8)/rA:23CCCCCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-NCVOTRXWVIDBOQ_on_P41594_WT,High,ChEMBL30,CHEMBL3422890,COc1ccc(C(=O)N2CCc3c(C2)sc(NCc2ccc(F)cc2)c3C#N)cc1,NCVOTRXWVIDBOQ,NCVOTRXWVIDBOQ-UHFFFAOYSA-N,"InChI=1S/C23H20FN3O2S/c1-29-18-8-4-16(5-9-18)23(28)27-11-10-19-20(12-25)22(30-21(19)14-27)26-13-15-2-6-17(24)7-3-15/h2-9,26H,10-11,13-14H2,1H3","""AuxInfo=1/0/N:1,20,25,5,29,21,24,4,30,11,10,27,18,14,19,6,22,3,12,26,13,16,7,23,28,17,9,8,2,15/E:(2,3)(4,5)(6,7)(8,9)/rA:30COCCCCCONCCCCCSCNCCCCCFCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;s15;s16;s17;s18;d19;s20;d21;s22;s22;s19d24;s12d16;s26;t27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3423873,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-NCYIKOJQXYAHBQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198998,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,NCYIKOJQXYAHBQ,NCYIKOJQXYAHBQ-UHFFFAOYSA-P,"InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2","""AuxInfo=1/5/N:15,16,14,17,13,18,6,31,1,30,12,19,5,32,2,29,35,25,11,20,34,26,9,22,4,27,7,24,3,28,8,23,36,33,10,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:36CCCCCCCCCN+CCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s24;d27;s28;d29;s30;s27d31;s23s28;s10;s7d34;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.040;  5.230,5.135,0.095,0.095,2.0,5.135,0.095
-NCYIKOJQXYAHBQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198998,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,NCYIKOJQXYAHBQ,NCYIKOJQXYAHBQ-UHFFFAOYSA-P,"InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2","""AuxInfo=1/5/N:15,16,14,17,13,18,6,31,1,30,12,19,5,32,2,29,35,25,11,20,34,26,9,22,4,27,7,24,3,28,8,23,36,33,10,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:36CCCCCCCCCN+CCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s24;d27;s28;d29;s30;s27d31;s23s28;s10;s7d34;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-NCYIKOJQXYAHBQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198998,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,NCYIKOJQXYAHBQ,NCYIKOJQXYAHBQ-UHFFFAOYSA-P,"InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2","""AuxInfo=1/5/N:15,16,14,17,13,18,6,31,1,30,12,19,5,32,2,29,35,25,11,20,34,26,9,22,4,27,7,24,3,28,8,23,36,33,10,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:36CCCCCCCCCN+CCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s24;d27;s28;d29;s30;s27d31;s23s28;s10;s7d34;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-NDAAABJMBJNECQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337523,N#Cc1c(N2CCC(c3cc(F)cc(F)c3)CC2)ccn(CC2CC2)c1=O,NDAAABJMBJNECQ,NDAAABJMBJNECQ-UHFFFAOYSA-N,"InChI=1S/C21H21F2N3O/c22-17-9-16(10-18(23)11-17)15-3-6-25(7-4-15)20-5-8-26(13-14-1-2-14)21(27)19(20)12-24/h5,8-11,14-15H,1-4,6-7,13H2","""AuxInfo=1/0/N:24,25,7,17,19,6,18,20,10,16,13,2,22,23,8,9,11,14,3,4,26,12,15,1,5,21,27/E:(1,2)(3,4)(6,7)(9,10)(17,18)(22,23)/rA:27NCCCNCCCCCCFCCFCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;s8;s5s17;s4;d19;s20;s21;s22;s23;s23s24;s3s21;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-NDFKYGUTDGWIHX_on_P14867_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-NDFKYGUTDGWIHX_on_P18507_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL829006;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680;  7.170;  8.000;  8.920,7.942,0.637,0.368,4.0,7.84,0.415
-NDFKYGUTDGWIHX_on_P28472_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680;  8.920;  8.000;  7.170,7.943,0.637,0.368,4.0,7.84,0.415
-NDFKYGUTDGWIHX_on_P31644_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-NDFKYGUTDGWIHX_on_P34903_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-NDFKYGUTDGWIHX_on_P47869_WT,Low,ChEMBL30,CHEMBL360912,c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1,NDFKYGUTDGWIHX,NDFKYGUTDGWIHX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,13,15,17,24,21,4,14,9,10,5,8,11,18,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-NDGAPVGEKVUWKK_on_P41594_WT,High,ChEMBL30,CHEMBL2431415,Cc1c(Cl)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1,NDGAPVGEKVUWKK,NDGAPVGEKVUWKK-UHFFFAOYSA-N,"InChI=1S/C26H25ClN6O/c1-19-16-21(8-9-22(19)27)23-17-33(25(30-23)20-6-3-2-4-7-20)18-24(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26/h2-11,16-17H,12-15,18H2,1H3","""AuxInfo=1/0/N:1,30,29,31,21,28,32,6,5,20,22,15,25,16,24,34,9,11,2,27,7,3,8,12,26,18,4,19,23,33,14,17,10,13/E:(3,4)(6,7)(10,11)(12,13)(14,15)(28,29)/rA:34CCCClCCCCCNCCONCCNCNCCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s27d31;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-NDGRRHNDADEMFM_on_P41594_WT,High,ChEMBL30,CHEMBL4076718,O=C(c1ccc(F)cc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,NDGRRHNDADEMFM,NDGRRHNDADEMFM-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-12-3-1-11(2-4-12)18(24)23-8-7-16-15(10-23)22-17(25-16)14-6-5-13(20)9-21-14/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:4,9,5,8,20,19,12,11,23,15,3,6,21,18,14,13,17,2,7,22,24,16,10,1,25/E:(1,2)(3,4)/rA:25OCCCCCFCCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-NDIYWOAWAHAYAD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3904893,CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,NDIYWOAWAHAYAD,NDIYWOAWAHAYAD-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-20(2)13-17(19(23)22(20)3)18-12-11-16(14-21-18)10-9-15-7-5-4-6-8-15/h4-8,11-12,14,17H,13H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,8,7,20,18,12,9,5,6,3,21,19,2,4/E:(1,2)(5,6)(7,8)/rA:23CNCOCCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-NDLSBZYQEJXMFM_on_P41594_WT,High,ChEMBL30,CHEMBL3702396,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)n1,NDLSBZYQEJXMFM,NDLSBZYQEJXMFM-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-7-6-15(20-21)16-9-17-14-4-2-3-12(11-23)13(14)5-8-22(17)18(24)10-19-16/h2-4,6-7,9,23H,5,8,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,13,4,3,12,23,8,20,19,14,15,5,6,22,9,7,24,2,11,21,10/rA:24CNCCCCNCCONCCCCCCCCCOCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NDLSBZYQEJXMFM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702396,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)n1,NDLSBZYQEJXMFM,NDLSBZYQEJXMFM-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-7-6-15(20-21)16-9-17-14-4-2-3-12(11-23)13(14)5-8-22(17)18(24)10-19-16/h2-4,6-7,9,23H,5,8,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,13,4,3,12,23,8,20,19,14,15,5,6,22,9,7,24,2,11,21,10/rA:24CNCCCCNCCONCCCCCCCCCOCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NDNDDQURZNMVRW_on_Q13255_WT,High,ChEMBL30,CHEMBL3759376,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1,NDNDDQURZNMVRW,NDNDDQURZNMVRW-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(20)7-11)25-18(27)12-4-2-10(21)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,19,28,3,2,20,10,17,18,26,13,6,7,15,24,27,21,4,9,5,14,8,16,25/rA:28CCCNNCCONCCCCNCOCCCCFCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.200;  6.200,6.2,0.0,0.0,2.0,6.2,0.0
-NDNDDQURZNMVRW_on_Q14833_WT,High,ChEMBL30,CHEMBL3759376,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1,NDNDDQURZNMVRW,NDNDDQURZNMVRW-UHFFFAOYSA-N,"InChI=1S/C19H12ClFN4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(20)7-11)25-18(27)12-4-2-10(21)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,19,28,3,2,20,10,17,18,26,13,6,7,15,24,27,21,4,9,5,14,8,16,25/rA:28CCCNNCCONCCCCNCOCCCCFCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-NDNDQNKPPDRRCP_on_Q14833_WT,High,ExCAPE-DB,23455838,Clc1cccc(Nc2nc3c(cccc3)o2)c1,NDNDQNKPPDRRCP,NDNDQNKPPDRRCP-UHFFFAOYSA-N,"InChI=1S/C13H9ClN2O/c14-9-4-3-5-10(8-9)15-13-16-11-6-1-2-7-12(11)17-13/h1-8H,(H,15,16)","""AuxInfo=1/1/N:14,13,4,3,5,15,12,17,2,6,10,11,8,1,7,9,16/rA:17ClCCCCCNCNCCCCCCOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s10d14;s8s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  6.222,6.222,0.0,0.0,1.0,6.222,0.0
-NDNRCUUMSPCMSI_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594108,CC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,NDNRCUUMSPCMSI,NDNRCUUMSPCMSI-UHFFFAOYSA-N,"""InChI=1S/C22H38O4S.C5H5N/c1-14(2)18-7-8-19-17-6-5-15-13-16(26-27(23,24)25)9-11-21(15,3)20(17)10-12-22(18,19)4;1-2-4-6-5-3-1/h14-20H,5-13H2,1-4H3,(H,23,24,25);1-5H""","""AuxInfo=1/1/N:1,3,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,16,17,18,14,15;28,29,33,30,32,31/E:(1,2)(23,24,25);(2,3)(4,5)/CRV:27.6;/rA:33CCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-NDNRCUUMSPCMSI_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594108,CC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,NDNRCUUMSPCMSI,NDNRCUUMSPCMSI-UHFFFAOYSA-N,"""InChI=1S/C22H38O4S.C5H5N/c1-14(2)18-7-8-19-17-6-5-15-13-16(26-27(23,24)25)9-11-21(15,3)20(17)10-12-22(18,19)4;1-2-4-6-5-3-1/h14-20H,5-13H2,1-4H3,(H,23,24,25);1-5H""","""AuxInfo=1/1/N:1,3,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,16,17,18,14,15;28,29,33,30,32,31/E:(1,2)(23,24,25);(2,3)(4,5)/CRV:27.6;/rA:33CCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-NDPDRNAYXPWNKG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3946459,CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21,NDPDRNAYXPWNKG,NDPDRNAYXPWNKG-UHFFFAOYSA-N,"InChI=1S/C23H25N3O/c1-17(2)25-20-10-6-7-11-21(20)26(23(25)27)22-15-14-19(16-24-22)13-12-18-8-4-3-5-9-18/h3-5,8-9,14-17,20-21H,6-7,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,25,24,15,19,26,23,13,12,10,9,20,2,14,11,27,22,8,5,21,4,7,6/E:(1,2)(4,5)(8,9)/rA:27CCCNCONCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;s22;s23;s24;s25;s4s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-NDRUNWAMJQWAHZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485330,COc1cc(-c2ccc(CN3CC(C)OC3=O)cc2)ccc1,NDRUNWAMJQWAHZ,NDRUNWAMJQWAHZ-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-6-8-15(9-7-14)16-4-3-5-17(10-16)21-2/h3-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,21,20,22,8,18,7,19,4,12,10,13,9,6,5,3,16,11,17,2,15/E:(6,7)(8,9)/rA:22COCCCCCCCCNCCCOCOCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s13;s11s15;d16;s9;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-NDRWXFUZQPBELD_on_P14867_WT,Low,ChEMBL30,CHEMBL3895141;CHEMBL3971720,COC1CC2(C)C(=CC#N)CCC2C2CCC3CC(O)CCC3(C)C12,NDRWXFUZQPBELD,NDRWXFUZQPBELD-UHFFFAOYSA-N,"InChI=1S/C22H33NO2/c1-21-10-8-16(24)12-15(21)4-6-17-18-7-5-14(9-11-23)22(18,2)13-19(25-3)20(17)21/h9,15-20,24H,4-8,10,12-13H2,1-3H3","""AuxInfo=1/0/N:24,6,1,16,11,15,12,21,8,22,9,18,4,7,17,19,14,13,3,25,23,5,10,20,2/rA:25COCCCCCCCNCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s5;w?7;s8;t9;s7;s11;s5s12;s13;s14;s15;s16;s17;s18;s19;s19;s21;s17s22;s23;s3s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.280;  6.220,6.75,0.53,0.53,2.0,6.75,0.53
-NDRWXFUZQPBELD_on_P18507_WT,Low,ChEMBL30,CHEMBL3895141;CHEMBL3971720,COC1CC2(C)C(=CC#N)CCC2C2CCC3CC(O)CCC3(C)C12,NDRWXFUZQPBELD,NDRWXFUZQPBELD-UHFFFAOYSA-N,"InChI=1S/C22H33NO2/c1-21-10-8-16(24)12-15(21)4-6-17-18-7-5-14(9-11-23)22(18,2)13-19(25-3)20(17)21/h9,15-20,24H,4-8,10,12-13H2,1-3H3","""AuxInfo=1/0/N:24,6,1,16,11,15,12,21,8,22,9,18,4,7,17,19,14,13,3,25,23,5,10,20,2/rA:25COCCCCCCCNCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s5;w?7;s8;t9;s7;s11;s5s12;s13;s14;s15;s16;s17;s18;s19;s19;s21;s17s22;s23;s3s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.280;  6.220,6.75,0.53,0.53,2.0,6.75,0.53
-NDRWXFUZQPBELD_on_P47870_WT,Low,ChEMBL30,CHEMBL3971720;CHEMBL3895141,COC1CC2(C)C(=CC#N)CCC2C2CCC3CC(O)CCC3(C)C12,NDRWXFUZQPBELD,NDRWXFUZQPBELD-UHFFFAOYSA-N,"InChI=1S/C22H33NO2/c1-21-10-8-16(24)12-15(21)4-6-17-18-7-5-14(9-11-23)22(18,2)13-19(25-3)20(17)21/h9,15-20,24H,4-8,10,12-13H2,1-3H3","""AuxInfo=1/0/N:24,6,1,16,11,15,12,21,8,22,9,18,4,7,17,19,14,13,3,25,23,5,10,20,2/rA:25COCCCCCCCNCCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s5;w?7;s8;t9;s7;s11;s5s12;s13;s14;s15;s16;s17;s18;s19;s19;s21;s17s22;s23;s3s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.220;  7.280,6.75,0.53,0.53,2.0,6.75,0.53
-NDRXDYBNXCRHJD_on_P41594_WT,Low,ChEMBL30,CHEMBL389897,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2O)c1=O,NDRXDYBNXCRHJD,NDRXDYBNXCRHJD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,20,9,8,14,16,4,21,5,12,11,6,23,7,13,2,15,22,24,10/E:(1,2)/rA:24CNCCCCNCCSCCNCNCCCCCCOCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NDRXDYBNXCRHJD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL389897;11695769,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2O)c1=O,NDRXDYBNXCRHJD,NDRXDYBNXCRHJD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,20,9,8,14,16,4,21,5,12,11,6,23,7,13,2,15,22,24,10/E:(1,2)/rA:24CNCCCCNCCSCCNCNCCCCCCOCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  7.300;  7.301,7.3,0.001,0.001,2.0,7.3,0.001
-NDTWLKGEWWHCQG_on_O00591_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_O14764_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P14867_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P18505_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P18507_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P28472_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P31644_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P34903_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P47869_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P47870_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P48169_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_P78334_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_Q16445_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NDTWLKGEWWHCQG_on_Q99928_WT,Low,ChEMBL30,CHEMBL54957,O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2,NDTWLKGEWWHCQG,NDTWLKGEWWHCQG-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,18,19,15,3,5,8,16,14,2,13,4,9,17,1,12/E:(1,2)(3,4)/rA:19OCCCCCCCFCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-NEBXKPRGJIMCCZ_on_O15399_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_O60391_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBXKPRGJIMCCZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL43918,O=Nc1c(O)nc2c(Cl)cccc2c1O,NEBXKPRGJIMCCZ,NEBXKPRGJIMCCZ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-5-3-1-2-4-6(5)11-9(14)7(12-15)8(4)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,10,13,8,7,3,14,4,9,6,2,15,5,1/rA:15ONCCONCCClCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;s8;d8;s10;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEBYFZGKTAZGAB_on_Q14416_WT,High,ChEMBL30,CHEMBL2029822,CCCCn1ccc(-c2c(F)cc(Oc3cc(C)ncc3)cc2)c(C#N)c1=O,NEBYFZGKTAZGAB,NEBYFZGKTAZGAB-UHFFFAOYSA-N,"InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(20(14-24)22(26)27)19-6-5-16(13-21(19)23)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3","""AuxInfo=1/0/N:1,18,2,3,22,23,21,7,20,4,6,16,12,25,17,13,15,8,9,24,10,27,11,26,19,5,28,14/rA:28CCCCNCCCCCFCCOCCCCNCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;s13;s9d22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-NEJGMWRTNFBSRH_on_P31644_WT,High,ChEMBL30,CHEMBL3676454,Cc1cccc(OCc2c(C)onc2-c2ccccc2)n1,NEJGMWRTNFBSRH,NEJGMWRTNFBSRH-UHFFFAOYSA-N,"InChI=1S/C17H16N2O2/c1-12-7-6-10-16(18-12)20-11-15-13(2)21-19-17(15)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,11,18,17,19,4,3,16,20,5,8,2,10,15,9,6,14,21,13,7,12/E:(4,5)(8,9)/rA:21CCCCCCOCCCCONCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s10;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-NEJNZWMONLOGMV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950064,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21,NEJNZWMONLOGMV,NEJNZWMONLOGMV-UHFFFAOYSA-N,"InChI=1S/C21H21N3O/c1-23-18-9-5-6-10-19(18)24(21(23)25)20-14-13-17(15-22-20)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18-19H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,15,14,16,23,22,13,17,24,21,11,10,8,7,18,12,9,25,20,6,3,19,2,5,4/E:(3,4)(7,8)/rA:25CNCONCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s23;s2s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-NEMHWVUKNWAKTM_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684242,O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1,NEMHWVUKNWAKTM,NEMHWVUKNWAKTM-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)","""AuxInfo=1/1/N:16,6,15,17,5,7,13,9,12,10,20,22,14,8,18,11,4,2,19,21,3,1/E:(5,6)/rA:22OCNCCCCCCCCCCCCCCCFCNC/rB:d1;s2;s3;s4;s5;s4s6;s2;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-NEOJJVVOYKDEHZ_on_P14867_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-NEOJJVVOYKDEHZ_on_P18507_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL678745;CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.330;  7.540;  7.090;  6.050,6.752999999999999,0.593,0.342,4.0,6.71,0.52
-NEOJJVVOYKDEHZ_on_P28472_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.540;  7.090;  6.050;  6.330,6.752000000000001,0.593,0.342,4.0,6.71,0.52
-NEOJJVVOYKDEHZ_on_P31644_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-NEOJJVVOYKDEHZ_on_P34903_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-NEOJJVVOYKDEHZ_on_P47869_WT,Low,ChEMBL30,CHEMBL53729,Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NEOJJVVOYKDEHZ,NEOJJVVOYKDEHZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5O/c1-11-18-19-15-13-7-2-3-8-14(13)16(20-21(11)15)22-10-12-6-4-5-9-17-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,10,9,19,18,20,11,8,17,14,2,15,6,7,5,12,16,3,4,21,22,13/rA:22CCNNCCCCCCCCOCCNCCCCNN/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s2s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-NEOUOHDNZDRDNJ_on_P14867_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-NEOUOHDNZDRDNJ_on_P18507_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.850;  6.920;  7.170,6.98,0.13699999999999998,0.09699999999999999,3.0,6.92,0.07
-NEOUOHDNZDRDNJ_on_P28472_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.170;  6.920;  6.850,6.98,0.13699999999999998,0.09699999999999999,3.0,6.92,0.07
-NEOUOHDNZDRDNJ_on_P31644_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NEOUOHDNZDRDNJ_on_P34903_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-NEOUOHDNZDRDNJ_on_P47869_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-NEOUOHDNZDRDNJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL53651,S=C=Nc1ncc2[nH]c3c(cccc3)c2c1,NEOUOHDNZDRDNJ,NEOUOHDNZDRDNJ-UHFFFAOYSA-N,"InChI=1S/C12H7N3S/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-6,15H","""AuxInfo=1/0/N:12,13,11,14,16,6,2,10,15,9,7,4,5,3,8,1/rA:16SCNCNCCNCCCCCCCC/rB:d1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NERWNPWXJHUZAL_on_Q13255_WT,High,ChEMBL30,CHEMBL2397360,CC1CN(c2ccccn2)CCN1C(=O)C1CCCCCCC1,NERWNPWXJHUZAL,NERWNPWXJHUZAL-UHFFFAOYSA-N,"InChI=1S/C19H29N3O/c1-16-15-21(18-11-7-8-12-20-18)13-14-22(16)19(23)17-9-5-3-2-4-6-10-17/h7-8,11-12,16-17H,2-6,9-10,13-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,7,8,17,23,6,9,11,12,3,2,16,5,14,10,4,13,15/E:(3,4)(5,6)(9,10)/rA:23CCCNCCCCCNCCNCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s16s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-NESUAJPAOMXMJC_on_P14867_WT,Low,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-NESUAJPAOMXMJC_on_P18507_WT,Low,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999410;CHEMBL999413;CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  8.130;  6.710;  6.630,7.157,0.6890000000000001,0.48700000000000004,3.0,6.71,0.08
-NESUAJPAOMXMJC_on_P28472_WT,Low,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999409;CHEMBL999413;CHEMBL999410,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.630;  6.710;  8.130,7.157,0.6890000000000001,0.48700000000000004,3.0,6.71,0.08
-NESUAJPAOMXMJC_on_P31644_WT,High,ExCAPE-DB,21065276,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,PubChemAID:349345,PMID:18790643,2008.0,PubChemAID:349345,2010,0,0,0,0,1,,=,  6.712,6.712000000000001,0.0,0.0,1.0,6.712000000000001,0.0
-NESUAJPAOMXMJC_on_P34903_WT,High,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-NESUAJPAOMXMJC_on_P47869_WT,High,ExCAPE-DB,21065276,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,PubChemAID:349342,PMID:18790643,2008.0,PubChemAID:349342,2010,0,0,0,0,1,,=,  8.131,8.131,0.0,0.0,1.0,8.131,0.0
-NESUAJPAOMXMJC_on_P48169_WT,Low,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL999412,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-NESUAJPAOMXMJC_on_Q16445_WT,Low,ChEMBL30,CHEMBL505768,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NESUAJPAOMXMJC,NESUAJPAOMXMJC-UHFFFAOYSA-N,"InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2","""AuxInfo=1/0/N:1,46,2,45,13,37,12,14,36,38,24,11,15,35,39,4,43,5,42,23,25,8,47,17,31,52,49,3,44,10,34,7,40,6,41,18,30,9,33,19,29,20,27,16,32,51,50,53,48,21,28,22,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(46,47)(48,49)(50,51)(52,53)/rA:53CCCCCCCCCCCCCCCNCCCCOOCCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;d27;s27;d29;s30;s31;w?32;s33;d34;s35;d36;s37;s34d38;s33;d40;s41;d42;s43;s44;t45;s40d44;s30s41;s48;s29d49;s19;d51;s6s18s52;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-NEVSBYUBNOGFQJ_on_P18507_WT,Low,ChEMBL30,CHEMBL577411,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Cl)c3)-n2cn1,NEVSBYUBNOGFQJ,NEVSBYUBNOGFQJ-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-NEVSBYUBNOGFQJ_on_P28472_WT,Low,ChEMBL30,CHEMBL577411,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Cl)c3)-n2cn1,NEVSBYUBNOGFQJ,NEVSBYUBNOGFQJ-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-NEVSBYUBNOGFQJ_on_P31644_WT,Low,ChEMBL30,CHEMBL577411,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Cl)c3)-n2cn1,NEVSBYUBNOGFQJ,NEVSBYUBNOGFQJ-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,19,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-NEVVMIVMAQEBRF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545803;CHEMBL3087224,Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)C(C)(C)C)ccc1,NEVVMIVMAQEBRF,NEVVMIVMAQEBRF-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-15-6-5-7-16(12-15)10-11-21(24)13-17-8-9-18(14-21)22(17)19(23)20(2,3)4/h5-7,12,17-18,24H,8-9,13-14H2,1-4H3","""AuxInfo=1/0/N:1,19,20,21,23,24,22,11,12,5,6,3,9,14,2,4,10,13,16,18,7,15,17,8/E:(2,3,4)(8,9)(13,14)(17,18)/rA:24CCCCCCCOCCCCCCNCOCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;d16;s16;s18;s18;s18;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.511;  6.510,6.511,0.001,0.001,2.0,6.511,0.001
-NEWFUOFHOLXMKW_on_Q14833_WT,Low,ChEMBL30,CHEMBL556876,O=C(Nc1cc(Cl)c(Cl)cc1)c1cc2c(cccc2)o1,NEWFUOFHOLXMKW,NEWFUOFHOLXMKW-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2NO2/c16-11-6-5-10(8-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,(H,18,19)","""AuxInfo=1/1/N:18,17,19,16,11,10,13,5,14,4,8,6,15,12,2,9,7,3,1,20/rA:20OCNCCCClCClCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NEWKHUASLBMWRE_on_O00222_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEWKHUASLBMWRE_on_O15303_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NEWKHUASLBMWRE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,3025961;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654;CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521;CHEMBL2168314;CHEMBL2343304;CHEMBL3603016;CHEMBL3761220;CHEMBL934506;CHEMBL914082;CHEMBL888663;CHEMBL4413470;CHEMBL4413473;CHEMBL4008950;CHEMBL1118810;CHEMBL864050;CHEMBL865700;CHEMBL3996883,PMID:10639281,1999.0,PubChemAID:291521;PMID:23046966;PMID:23357634;PMID:26112438;PMID:26706173;PMID:18304814;PMID:17110115;PMID:17569516;PMID:30624919;PMID:30624919;PMID:28212015;PMID:20483612;PMID:16451073;PMID:16481165;PMID:28109949,2010;2012;2013;2015;2016;2008;2007;2007;2019;2019;2017;2010;2006;2006;2017,0;0;1;1;0;1;0;1;0;1;1;0;1;1;1,0,0;1;0;0;0;0;0;0;0;0;0;0;0;0;0,0;0;0;0;1;0;1;0;1;0;0;1;0;0;0,1;0;0;0;0;0;0;0;0;0;0;0;0;0;0,,=,  8.824;  8.070;  8.640;  7.500;  8.460;  8.000;  7.700;  8.820;  7.980;  7.950;  7.510;  7.440;  7.410;  7.660;  7.440,7.96,0.49200000000000005,0.131,15.0,7.95,0.45
-NEWKHUASLBMWRE_on_Q13224_WT,Medium,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749672,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-NEWKHUASLBMWRE_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL66654;3025961,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1211882;PubChemAID:493943,PMID:10893301,2000.0,PMID:20615697;PubChemAID:493943,2010;2011,0,0,0,1;0,0;1,,=,  7.440;  7.444,7.442,0.002,0.002,2.0,7.442,0.002
-NEWKHUASLBMWRE_on_Q14416_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEWKHUASLBMWRE_on_Q14831_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEWKHUASLBMWRE_on_Q14832_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEWKHUASLBMWRE_on_Q14833_WT,Low,ChEMBL30,CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,NEWKHUASLBMWRE,NEWKHUASLBMWRE-UHFFFAOYSA-N,"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NEXBAIGDQQSPJV_on_O15399_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NEXBAIGDQQSPJV_on_O60391_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NEXBAIGDQQSPJV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NEXBAIGDQQSPJV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750561;CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.050;  7.190;  6.030,6.757000000000001,0.517,0.366,3.0,7.05,0.14
-NEXBAIGDQQSPJV_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.050;  7.190,7.12,0.07,0.07,2.0,7.12,0.07
-NEXBAIGDQQSPJV_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.190;  6.030,6.61,0.58,0.58,2.0,6.61,0.58
-NEXBAIGDQQSPJV_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192070,CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,NEXBAIGDQQSPJV,NEXBAIGDQQSPJV-UHFFFAOYSA-N,"InChI=1S/C12H15N4O7P/c1-2-3-13-12(24(21,22)23)7-4-6(16(19)20)5-8-9(7)15-11(18)10(17)14-8/h4-5,12-13H,2-3H2,1H3,(H,14,17)(H,15,18)(H2,21,22,23)","""AuxInfo=1/1/N:1,2,3,20,15,16,6,14,7,11,9,5,4,13,8,17,12,10,18,19,22,23,24,21/E:(19,20)(21,22,23)/CRV:16.5/rA:24CCCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;d17;s17;s6d16;s5;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NFBYCNFAXLUGBT_on_O15399_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_O60391_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_Q05586_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_Q12879_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_Q13224_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFBYCNFAXLUGBT_on_Q14957_WT,Low,ChEMBL30,CHEMBL131460,CN(C)C12CC3CC(CC(C3)C1)C2,NFBYCNFAXLUGBT,NFBYCNFAXLUGBT-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,7,9,11,13,5,12,8,6,10,4,2/E:(1,2)(3,4,5)(6,7,8)(9,10,11)/rA:13CNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.680,4.68,0.0,0.0,1.0,4.68,0.0
-NFCKRAFHWQEUBC_on_Q05586_WT,Low,ChEMBL30,CHEMBL473866,Clc1ccc2c(NCCCNCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1,NFCKRAFHWQEUBC,NFCKRAFHWQEUBC-UHFFFAOYSA-N,"InChI=1S/C33H37ClN4O/c34-23-16-17-26-30(22-23)38-28-13-5-3-11-25(28)33(26)36-20-9-19-35-18-6-1-7-21-39-31-15-8-14-29-32(31)24-10-2-4-12-27(24)37-29/h2,4,8,10,12,14-17,22,35,37H,1,3,5-7,9,11,13,18-21H2,(H,36,38)","""AuxInfo=1/1/N:14,28,33,27,34,13,15,20,9,29,32,26,35,21,19,3,4,12,10,8,16,39,2,24,31,5,25,36,22,38,18,23,6,1,11,7,30,37,17/rA:39ClCCCCCNCCCNCCCCCOCCCCCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s25;d26;s27;s24d28;s22s25;d6;s31;s32;s33;s34;s31s35;d36;s5s37;s2d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-NFCKRAFHWQEUBC_on_Q13224_WT,Low,ChEMBL30,CHEMBL473866,Clc1ccc2c(NCCCNCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1,NFCKRAFHWQEUBC,NFCKRAFHWQEUBC-UHFFFAOYSA-N,"InChI=1S/C33H37ClN4O/c34-23-16-17-26-30(22-23)38-28-13-5-3-11-25(28)33(26)36-20-9-19-35-18-6-1-7-21-39-31-15-8-14-29-32(31)24-10-2-4-12-27(24)37-29/h2,4,8,10,12,14-17,22,35,37H,1,3,5-7,9,11,13,18-21H2,(H,36,38)","""AuxInfo=1/1/N:14,28,33,27,34,13,15,20,9,29,32,26,35,21,19,3,4,12,10,8,16,39,2,24,31,5,25,36,22,38,18,23,6,1,11,7,30,37,17/rA:39ClCCCCCNCCCNCCCCCOCCCCCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s25;d26;s27;s24d28;s22s25;d6;s31;s32;s33;s34;s31s35;d36;s5s37;s2d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL982936,PMID:18605718,2008.0,PMID:18605718,2008,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-NFGKSZNYIMFLRA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1783981,O=C(CSc1ccccc1)N1CCCC2(CCCCC2)C1,NFGKSZNYIMFLRA,NFGKSZNYIMFLRA-UHFFFAOYSA-N,"InChI=1S/C18H25NOS/c20-17(14-21-16-8-3-1-4-9-16)19-13-7-12-18(15-19)10-5-2-6-11-18/h1,3-4,8-9H,2,5-7,10-15H2","""AuxInfo=1/0/N:8,18,7,9,17,19,13,6,10,16,20,14,12,3,21,5,2,15,11,1,4/E:(3,4)(5,6)(8,9)(10,11)/rA:21OCCSCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-NFINWJGHOWQVKC_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681885,Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccccc23)cc1,NFINWJGHOWQVKC,NFINWJGHOWQVKC-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2","""AuxInfo=1/0/N:21,20,22,19,14,15,3,25,4,24,16,12,13,2,5,23,9,18,8,10,1,17,7,6,11/E:(5,6)(7,8)(9,10)/rA:25ClCCCCNNCCCOCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;s13s14;s9;d16;s17;d18;s19;d20;s21;s8s18d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-NFINWJGHOWQVKC_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681885,Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccccc23)cc1,NFINWJGHOWQVKC,NFINWJGHOWQVKC-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2","""AuxInfo=1/0/N:21,20,22,19,14,15,3,25,4,24,16,12,13,2,5,23,9,18,8,10,1,17,7,6,11/E:(5,6)(7,8)(9,10)/rA:25ClCCCCNNCCCOCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;s13s14;s9;d16;s17;d18;s19;d20;s21;s8s18d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-NFJXOJFSRFZJOC_on_Q14416_WT,Low,ChEMBL30,CHEMBL319612,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(O)c2ccccc2)cc1,NFJXOJFSRFZJOC,NFJXOJFSRFZJOC-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-2-27(25,26)23(16-17-7-6-14-22-15-17)20-12-10-19(11-13-20)21(24)18-8-4-3-5-9-18/h3-15,21,24H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,23,22,24,12,13,21,25,16,26,15,27,11,9,7,8,20,17,14,18,10,6,19,4,5,3/E:(4,5)(8,9)(10,11)(12,13)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;s18;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NFMFVESVKLVYJR_on_P14867_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.580;  7.580,7.58,0.0,0.0,2.0,7.58,0.0
-NFMFVESVKLVYJR_on_P18507_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823653;CHEMBL683047;CHEMBL685338;CHEMBL823916;CHEMBL822165;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.570;  7.660;  9.150;  7.890;  7.580;  7.660;  9.150;  7.890;  7.580;  7.570,7.97,0.601,0.2,10.0,7.66,0.09
-NFMFVESVKLVYJR_on_P28472_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL823916;CHEMBL681248;CHEMBL683047;CHEMBL685338;CHEMBL823653;CHEMBL822165;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039,2000;2000;2000;1998;2000;1998;1998;1998;1998;2000,0,0,0,1,0,,=,  7.890;  7.580;  9.150;  7.890;  7.570;  7.660;  9.150;  7.570;  7.580;  7.660,7.97,0.601,0.2,10.0,7.66,0.09
-NFMFVESVKLVYJR_on_P31644_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.150;  9.150,9.15,0.0,0.0,2.0,9.15,0.0
-NFMFVESVKLVYJR_on_P34903_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.890;  7.890,7.89,0.0,0.0,2.0,7.89,0.0
-NFMFVESVKLVYJR_on_P47869_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL823653;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.570;  7.570,7.57,0.0,0.0,2.0,7.57,0.0
-NFMFVESVKLVYJR_on_Q16445_WT,Low,ChEMBL30,CHEMBL133219,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1,NFMFVESVKLVYJR,NFMFVESVKLVYJR-UHFFFAOYSA-N,"InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.660;  7.660,7.66,0.0,0.0,2.0,7.66,0.0
-NFTKGJGNZJUXSD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3984765,CC1(C)CCN(c2ncc(C#Cc3cccc(F)c3)cn2)C(=O)C1,NFTKGJGNZJUXSD,NFTKGJGNZJUXSD-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)8-9-23(17(24)11-19)18-21-12-15(13-22-18)7-6-14-4-3-5-16(20)10-14/h3-5,10,12-13H,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,4,5,19,24,9,20,13,10,17,22,7,2,18,8,21,6,23/E:(1,2)(12,13)(21,22)/rA:24CCCCCNCNCCCCCCCCCFCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-NFUGEPSHTBCNFR_on_P41594_WT,High,ChEMBL30,CHEMBL3672907,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)sc(O)n2,NFUGEPSHTBCNFR,NFUGEPSHTBCNFR-UHFFFAOYSA-N,"InChI=1S/C14H12BrN5O2S/c15-8-6-16-12-5-10(18-20(12)7-8)13(21)19-3-1-9-11(2-4-19)23-14(22)17-9/h5-7H,1-4H2,(H,17,22)","""AuxInfo=1/1/N:15,18,14,19,12,9,6,7,16,3,17,11,2,21,8,10,23,4,13,5,1,22,20/rA:23OCCNNCCBrCNCCNCCCCCCSCON/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-NFXAWQDTYKJJTD_on_O00591_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_O14764_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P14867_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P18505_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P18507_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P28472_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P31644_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P34903_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P47869_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P47870_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P48169_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_P78334_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_Q16445_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NFXAWQDTYKJJTD_on_Q99928_WT,Low,ChEMBL30,CHEMBL186772,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1,NFXAWQDTYKJJTD,NFXAWQDTYKJJTD-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N5S/c1-26-14-11(10-6-22-2-3-23-10)13(21)25(24-14)12-8(16)4-7(5-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,24,23,9,15,26,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,25,22,4,5,2/E:(4,5)(8,9)(16,17)(18,19,20)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-NGDJXLPPONOJNZ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL178742;11185961,O=C(Cc1cscc1)c1ccc2nc3OCCCc3cc2c1,NGDJXLPPONOJNZ,NGDJXLPPONOJNZ-UHFFFAOYSA-N,"InChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2","""AuxInfo=1/0/N:17,18,10,11,8,16,7,3,22,20,5,4,9,19,21,12,2,14,13,1,15,6/rA:22OCCCCSCCCCCCNCOCCCCCCC/rB:d1;s2;s3;d4;s5;s6;s4d7;s2;d9;s10;d11;s12;d13;s14;s15;s16;s17;s14s18;d19;s12s20;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  7.130;  7.131,7.13,0.001,0.001,2.0,7.13,0.001
-NGFLLXYHUZXLSN_on_P41594_WT,High,ChEMBL30,CHEMBL2426614,CN1CCc2c(sc(OCc3ccccc3)n2)C1=O,NGFLLXYHUZXLSN,NGFLLXYHUZXLSN-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2S/c1-16-8-7-11-12(13(16)17)19-14(15-11)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,3,10,11,5,6,18,8,17,2,19,9,7/E:(3,4)(5,6)/rA:19CNCCCCSCOCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s5d8;s2s6;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  5.760;  5.760,5.76,0.0,0.0,2.0,5.76,0.0
-NGFQHLLTZQFHQA_on_P18505_WT,Low,ChEMBL30,CHEMBL4248377,CC=CC=CC(NCc1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1,NGFQHLLTZQFHQA,NGFQHLLTZQFHQA-UHFFFAOYSA-N,"InChI=1S/C25H23F2NO/c1-2-3-5-14-23(28-18-19-10-6-4-7-11-19)25(26,27)24(29)22-16-15-20-12-8-9-13-21(20)17-22/h2-17,23,28H,18H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,25,26,10,14,24,27,5,22,21,29,8,9,23,28,20,6,18,15,16,17,7,19/E:(6,7)(10,11)(26,27)/rA:29CCCCCCNCCCCCCCCFFCOCCCCCCCCCC/rB:s1;w?2;s3;w?4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s15;s15;s15;d18;s18;d20;s21;d22;s23;d24;s25;d26;s23s27;s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NGFQHLLTZQFHQA_on_P47870_WT,Low,ChEMBL30,CHEMBL4248377,CC=CC=CC(NCc1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1,NGFQHLLTZQFHQA,NGFQHLLTZQFHQA-UHFFFAOYSA-N,"InChI=1S/C25H23F2NO/c1-2-3-5-14-23(28-18-19-10-6-4-7-11-19)25(26,27)24(29)22-16-15-20-12-8-9-13-21(20)17-22/h2-17,23,28H,18H2,1H3","""AuxInfo=1/0/N:1,2,3,12,4,11,13,25,26,10,14,24,27,5,22,21,29,8,9,23,28,20,6,18,15,16,17,7,19/E:(6,7)(10,11)(26,27)/rA:29CCCCCCNCCCCCCCCFFCOCCCCCCCCCC/rB:s1;w?2;s3;w?4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s15;s15;s15;d18;s18;d20;s21;d22;s23;d24;s25;d26;s23s27;s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NGINYBBVZOLUBV_on_P41594_WT,Low,ChEMBL30,CHEMBL1093560,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(N)n4)c2=O)cc1,NGINYBBVZOLUBV,NGINYBBVZOLUBV-UHFFFAOYSA-N,"InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,18,8,16,19,6,21,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCNNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NGINYBBVZOLUBV_on_Q13255_WT,High,ChEMBL30,CHEMBL1093560,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(N)n4)c2=O)cc1,NGINYBBVZOLUBV,NGINYBBVZOLUBV-UHFFFAOYSA-N,"InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,18,8,16,19,6,21,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCNNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-NGKWCJCCZGCLID_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2164554;763879,Clc1ccccc1-c1nc(-c2ncccc2)no1,NGKWCJCCZGCLID,NGKWCJCCZGCLID-UHFFFAOYSA-N,InChI=1S/C13H8ClN3O/c14-10-6-2-1-5-9(10)13-16-12(17-18-13)11-7-3-4-8-15-11/h1-8H,"""AuxInfo=1/0/N:5,4,15,14,6,3,16,13,7,2,11,10,8,1,12,9,17,18/rA:18ClCCCCCCCNCCNCCCCNO/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s8s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;PubChemAID:697343,PMID:23046966,2012.0,PMID:23046966;PubChemAID:697343,2012;2013,1;0,0,0,0,0;1,,=,  6.360;  6.361,6.361000000000001,0.0,0.0,2.0,6.361000000000001,0.0
-NGLHAUFJVZUHTN_on_Q14416_WT,High,ChEMBL30,CHEMBL3337520,COc1ccc(C2CCN(c3c(C#N)c(=O)n(CC4CC4)cc3)CC2)cc1,NGLHAUFJVZUHTN,NGLHAUFJVZUHTN-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-27-19-6-4-17(5-7-19)18-8-11-24(12-9-18)21-10-13-25(15-16-2-3-16)22(26)20(21)14-23/h4-7,10,13,16,18H,2-3,8-9,11-12,15H2,1H3","""AuxInfo=1/0/N:1,20,21,5,26,4,27,8,25,23,9,24,22,13,18,19,6,7,3,12,11,15,14,10,17,16,2/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:27COCCCCCCCNCCCNCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s12;t13;s12;d15;s15;s17;s18;s19;s19s20;s17;s11d22;s10;s7s24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-NGMIVBPHHSRQBE_on_P41594_WT,High,ChEMBL30,CHEMBL2403652,O=S(=O)(C1CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,NGMIVBPHHSRQBE,NGMIVBPHHSRQBE-UHFFFAOYSA-N,"InChI=1S/C17H16N2O2S2/c20-23(21,14-7-8-14)19-11-10-15-16(12-19)22-17(18-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2","""AuxInfo=1/0/N:20,19,21,18,22,16,5,6,15,9,8,12,17,4,10,11,14,23,7,1,3,13,2/E:(2,3)(4,5)(7,8)(20,21)/CRV:23.6/rA:23OSOCCCNCCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s4s5;s2;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-NGNIHJCMAQZLTN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113175,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CO)c3)n2)cc(C)n1,NGNIHJCMAQZLTN,NGNIHJCMAQZLTN-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O3/c1-13-8-17(9-14(2)27-13)21-19-6-7-31-15(3)11-29(19)22(28-21)16-4-5-20(18(10-16)12-30)32-23(24,25)26/h4-5,8-10,15,30H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:1,31,11,16,17,7,8,3,29,27,12,25,2,30,10,15,4,24,6,18,5,14,20,21,22,23,32,28,13,26,9,19/E:(1,2)(8,9)(13,14)(24,25,26)/rA:32CCCCCCCCOCCCNCCCCCOCFFFCCOCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s25;s15d24;s5d14;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-NGNZROYSFUNCAK_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628082,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cccs1,NGNZROYSFUNCAK,NGNZROYSFUNCAK-UHFFFAOYSA-N,"InChI=1S/C19H11ClN2O3S/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-10H,(H,21,23)","""AuxInfo=1/1/N:14,15,24,13,16,23,5,6,25,21,4,12,11,19,7,22,2,17,9,20,3,8,1,18,10,26/E:(1,2)(4,5)(12,13)(18,19)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCCCS/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-NGQHIYMCJOYPBR_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830904;46836637,Clc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,NGQHIYMCJOYPBR,NGQHIYMCJOYPBR-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5S/c15-11-5-2-6-12(17-11)18-14-19-13-8-7-16-20-9(8)3-1-4-10(13)21-14/h2,5-7H,1,3-4H2,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:13,4,14,12,3,5,17,16,15,11,2,6,10,8,1,18,21,7,9,19,20/rA:21ClCCCCCNCNCCCCCCCCNNSN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s10d15;s16;d17;s15s18;s8s11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  5.960;  5.959,5.96,0.001,0.001,2.0,5.96,0.001
-NGWMXPZOCKINOT_on_Q13224_WT,High,ChEMBL30,CHEMBL386184,CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,NGWMXPZOCKINOT,NGWMXPZOCKINOT-UHFFFAOYSA-N,"InChI=1S/C21H28N4O2/c1-16(2)19-6-4-18(5-7-19)15-27-21(26)25-12-8-17(9-13-25)14-24-20-22-10-3-11-23-20/h3-7,10-11,16-17H,8-9,12-15H2,1-2H3,(H,22,23,24)","""AuxInfo=1/1/N:1,3,21,6,26,5,27,14,24,20,22,13,25,16,8,2,15,7,4,18,10,19,23,17,12,11,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(22,23)/rA:27CCCCCCCCOCONCCCCNCNCCCNCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;s7;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-NGWOXDWXKGKNTR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3979370,Cn1ccc2c1cc(Nc1c3ncccc3n[nH]1)cc2,NGWOXDWXKGKNTR,NGWOXDWXKGKNTR-UHFFFAOYSA-N,"InChI=1S/C15H13N5/c1-20-8-6-10-4-5-11(9-13(10)20)17-15-14-12(18-19-15)3-2-7-16-14/h2-9H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,14,15,20,19,4,13,3,7,5,8,16,6,11,10,12,9,17,18,2/rA:20CNCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-NGWYCOVARFKQDW_on_P14867_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676827;CHEMBL676825;CHEMBL822165;CHEMBL678329,PMID:8627617,1996.0,PMID:14667209;PMID:8627617;PMID:9767648;PMID:10633039,2003;1996;1998;2000,0,0,0,1,0,,=,  6.710;  6.710;  6.710;  6.710,6.71,0.0,0.0,4.0,6.71,0.0
-NGWYCOVARFKQDW_on_P18507_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678740;CHEMBL677845;CHEMBL676827;CHEMBL676825;CHEMBL682251;CHEMBL682646;CHEMBL678742;CHEMBL677846;CHEMBL678746;CHEMBL681480;CHEMBL822165;CHEMBL824296;CHEMBL683045;CHEMBL681248;CHEMBL823916;CHEMBL683047;CHEMBL678329;CHEMBL685338;CHEMBL681840,PMID:8627617,1996.0,PMID:8627617;PMID:8627617;PMID:14667209;PMID:8627617;PMID:10633039;PMID:14667209;PMID:14667209;PMID:14667209;PMID:14667209;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:8627617,1996;1996;2003;1996;2000;2003;2003;2003;2003;2000;1998;1998;2000;2000;1998;1998;2000;1998;1996,0,0,0,1,0,,=,  6.590;  7.230;  6.710;  6.710;  6.590;  6.840;  8.110;  7.230;  8.580;  8.580;  6.710;  6.840;  7.230;  6.840;  6.590;  7.230;  6.710;  8.580;  6.850,7.197,0.693,0.163,19.0,6.84,0.25
-NGWYCOVARFKQDW_on_P28472_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683045;CHEMBL678742;CHEMBL685338;CHEMBL683047;CHEMBL678746;CHEMBL681480;CHEMBL823916;CHEMBL682251;CHEMBL677846;CHEMBL822165;CHEMBL676827;CHEMBL824296;CHEMBL678329;CHEMBL681248;CHEMBL682646,PMID:9767648,1998.0,PMID:10633039;PMID:14667209;PMID:9767648;PMID:9767648;PMID:14667209;PMID:10633039;PMID:9767648;PMID:10633039;PMID:14667209;PMID:9767648;PMID:14667209;PMID:9767648;PMID:10633039;PMID:10633039;PMID:14667209,2000;2003;1998;1998;2003;2000;1998;2000;2003;1998;2003;1998;2000;2000;2003,0,0,0,1,0,,=,  7.230;  8.110;  8.580;  7.230;  8.580;  8.580;  6.590;  6.590;  7.230;  6.710;  6.710;  6.840;  6.710;  6.840;  6.840,7.291,0.743,0.198,15.0,6.84,0.25
-NGWYCOVARFKQDW_on_P31644_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480;CHEMBL678746,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:14667209,1998;2000;2003,0,0,0,1,0,,=,  8.580;  8.580;  8.580,8.58,0.0,0.0,3.0,8.58,0.0
-NGWYCOVARFKQDW_on_P34903_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251;CHEMBL678740,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:8627617,1998;2000;1996,0,0,0,1,0,,=,  6.590;  6.590;  6.590,6.59,0.0,0.0,3.0,6.59,0.0
-NGWYCOVARFKQDW_on_P47869_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682646;CHEMBL824296;CHEMBL681248;CHEMBL681840,PMID:8627617,1996.0,PMID:14667209;PMID:9767648;PMID:10633039;PMID:8627617,2003;1998;2000;1996,0,0,0,1,0,,=,  6.840;  6.840;  6.840;  6.850,6.8420000000000005,0.004,0.003,4.0,6.84,0.0
-NGWYCOVARFKQDW_on_P47870_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681840;CHEMBL678740;CHEMBL676825;CHEMBL677845,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  6.850;  6.590;  6.710;  7.230,6.845,0.24100000000000002,0.139,4.0,6.78,0.13
-NGWYCOVARFKQDW_on_P48169_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678742,PMID:14667209,2003.0,PMID:14667209,2003,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-NGWYCOVARFKQDW_on_Q16445_WT,Low,ChEMBL30,CHEMBL300840,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O,NGWYCOVARFKQDW,NGWYCOVARFKQDW-UHFFFAOYSA-N,"InChI=1S/C22H27N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,14H,13H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,23,24,25,26,27,20,21,18,3,14,19,17,16,4,5,28,6,9,13,2,15,29,7,8,22/E:(1,2,3)(5,6,7)/rA:29CNCCCCOOCCCCNCNCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s22;s22;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL677845;CHEMBL677846;CHEMBL683047;CHEMBL683045,PMID:8627617,1996.0,PMID:8627617;PMID:14667209;PMID:9767648;PMID:10633039,1996;2003;1998;2000,0,0,0,1,0,,=,  7.230;  7.230;  7.230;  7.230,7.23,0.0,0.0,4.0,7.23,0.0
-NGXLNVSVVQPEMX_on_P41594_WT,High,ChEMBL30,CHEMBL3895289,N#Cc1c(C2CC2)c2c(-c3cc(Cl)ccc3)[nH]nc2nc1-c1ccccc1,NGXLNVSVVQPEMX,NGXLNVSVVQPEMX-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)","""AuxInfo=1/1/N:25,24,26,15,23,27,16,14,6,7,11,2,5,22,10,12,3,4,8,21,9,19,13,1,20,17,18/E:(2,3)(5,6)(9,10)/rA:27NCCCCCCCCCCCClCCCNNCNCCCCCCC/rB:t1;s2;d3;s4;s5;s5s6;s4;d8;s9;d10;s11;s12;d12;s14;s10d15;s9;s17;s8d18;s19;s3d20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444;CHEMBL3865452,PMID:27994742,2016.0,PMID:27994742,2016,0;1,1;0,0,0,0,,=,  7.520;  7.180,7.35,0.17,0.17,2.0,7.35,0.17
-NGXZHBZEXOPVGR_on_P41594_WT,High,ChEMBL30,CHEMBL2426618,CC(C)N1CCc2c(sc(COc3ccccc3)n2)C1=O,NGXZHBZEXOPVGR,NGXZHBZEXOPVGR-UHFFFAOYSA-N,"InChI=1S/C16H18N2O2S/c1-11(2)18-9-8-13-15(16(18)19)21-14(17-13)10-20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,6,5,11,2,13,7,10,8,20,19,4,21,12,9/E:(1,2)(4,5)(6,7)/rA:21CCCNCCCCSCCOCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s7d10;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  5.920;  5.920,5.92,0.0,0.0,2.0,5.92,0.0
-NGZOBRYWWQNTCK_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53387726;CHEMBL1830709,c1ncnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1,NGZOBRYWWQNTCK,NGZOBRYWWQNTCK-UHFFFAOYSA-N,"InChI=1S/C13H12N6S/c1-2-9-8(6-16-19-9)12-10(3-1)20-13(18-12)17-11-4-5-14-7-15-11/h4-7H,1-3H2,(H,16,19)(H,14,15,17,18)","""AuxInfo=1/1/N:12,13,11,20,1,16,3,15,14,10,5,9,7,2,4,17,6,8,18,19/rA:20CNCNCNCNCCCCCCCCNNSC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s1d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.886;  5.890,5.888,0.002,0.002,2.0,5.888,0.002
-NHJFEXZXSCFYRX_on_P14867_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280;CHEMBL864002;CHEMBL853068,PMID:16392789,2006.0,PMID:16406613;PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  8.720;  8.820;  8.700,8.747,0.052000000000000005,0.037000000000000005,3.0,8.72,0.02
-NHJFEXZXSCFYRX_on_P18507_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864003;CHEMBL864004;CHEMBL853068;CHEMBL853070;CHEMBL864005;CHEMBL861281;CHEMBL861280;CHEMBL864002,PMID:16406613,2006.0,PMID:16392789;PMID:16392789;PMID:16480260;PMID:16480260;PMID:16392789;PMID:16406613;PMID:16406613;PMID:16392789,2006,0,0,0,1,0,,=,  7.880;  8.040;  8.700;  7.850;  8.800;  7.890;  8.720;  8.820,8.338,0.42700000000000005,0.161,8.0,8.37,0.44
-NHJFEXZXSCFYRX_on_P28472_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL864003;CHEMBL853070;CHEMBL864002;CHEMBL861281;CHEMBL853068;CHEMBL861280;CHEMBL864005,PMID:16406613,2006.0,PMID:16392789;PMID:16392789;PMID:16480260;PMID:16392789;PMID:16406613;PMID:16480260;PMID:16406613;PMID:16392789,2006,0,0,0,1,0,,=,  8.040;  7.880;  7.850;  8.820;  7.890;  8.700;  8.720;  8.800,8.338,0.42700000000000005,0.161,8.0,8.37,0.44
-NHJFEXZXSCFYRX_on_P31644_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-NHJFEXZXSCFYRX_on_P34903_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281;CHEMBL864004,PMID:16392789,2006.0,PMID:16406613;PMID:16392789,2006,0,0,0,1,0,,=,  7.890;  8.040,7.965,0.075,0.075,2.0,7.965,0.075
-NHJFEXZXSCFYRX_on_P47869_WT,Low,ChEMBL30,CHEMBL381625,CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1,NHJFEXZXSCFYRX,NHJFEXZXSCFYRX-UHFFFAOYSA-N,"InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,26,21,25,20,27,8,9,22,17,12,24,14,5,7,18,19,16,11,10,23,13,4,15,3/rA:27CCONCCCCCCCCNCNCCCCCCCNCCCC/rB:s1;s2;s3;w?4;s5;s5;d7;s8;d9;s10;s7d11;s11;d13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070;CHEMBL864003,PMID:16392789,2006.0,PMID:16480260;PMID:16392789,2006,0,0,0,1,0,,=,  7.850;  7.880,7.865,0.015,0.015,2.0,7.865,0.015
-NHJLKTWJVWPGJJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL187328,Oc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,NHJLKTWJVWPGJJ,NHJLKTWJVWPGJJ-UHFFFAOYSA-N,"InChI=1S/C18H13N5O/c24-17-10-2-1-8-15(17)13-6-5-7-14(12-13)23-21-18(20-22-23)16-9-3-4-11-19-16/h1-12,24H","""AuxInfo=1/0/N:22,23,17,16,6,5,7,21,18,24,15,20,4,8,3,13,2,12,14,11,19,10,9,1/rA:24OCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s9d12;s4d8;s3;d21;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-NHMRNEWBXOBCLY_on_P14867_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.380;  5.380,5.38,0.0,0.0,2.0,5.38,0.0
-NHMRNEWBXOBCLY_on_P18507_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL824296;CHEMBL685338;CHEMBL682251;CHEMBL681248;CHEMBL823916;CHEMBL678329;CHEMBL683047;CHEMBL681480;CHEMBL683045;CHEMBL822165,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648,1998;1998;2000;2000;1998;2000;1998;2000;2000;1998,0,0,0,1,0,,=,  4.900;  5.870;  5.200;  4.900;  5.200;  5.380;  5.070;  5.870;  5.070;  5.380,5.284,0.33299999999999996,0.111,10.0,5.2,0.18
-NHMRNEWBXOBCLY_on_P28472_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL685338;CHEMBL824296;CHEMBL683047;CHEMBL681480;CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL822165;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;1998;2000,0,0,0,1,0,,=,  5.200;  5.870;  4.900;  5.070;  5.870;  5.380;  5.200;  4.900;  5.380;  5.070,5.284,0.33299999999999996,0.111,10.0,5.2,0.18
-NHMRNEWBXOBCLY_on_P31644_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.870;  5.870,5.87,0.0,0.0,2.0,5.87,0.0
-NHMRNEWBXOBCLY_on_P34903_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.200;  5.200,5.2,0.0,0.0,2.0,5.2,0.0
-NHMRNEWBXOBCLY_on_P47869_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  4.900;  4.900,4.9,0.0,0.0,2.0,4.9,0.0
-NHMRNEWBXOBCLY_on_Q16445_WT,Low,ChEMBL30,CHEMBL46957,CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C,NHMRNEWBXOBCLY,NHMRNEWBXOBCLY-UHFFFAOYSA-N,"InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3","""AuxInfo=1/0/N:1,3,24,25,10,16,15,19,5,8,21,2,23,17,13,6,14,7,11,18,22,9,4,20,12/E:(1,2,3,4)(12,13)/rA:25CCCNCCCCNCCOCCCCCClCNCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.070;  5.070,5.07,0.0,0.0,2.0,5.07,0.0
-NHPGJRDBKLHEAL_on_O00591_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_O14764_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P14867_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P18505_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P18507_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P28472_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P31644_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P34903_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P47869_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P47870_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P48169_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_P78334_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_Q16445_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPGJRDBKLHEAL_on_Q99928_WT,Low,ChEMBL30,CHEMBL57171,O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2,NHPGJRDBKLHEAL,NHPGJRDBKLHEAL-UHFFFAOYSA-N,"InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCClCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-NHPMGBFDAPCAMB_on_P14867_WT,Medium,ChEMBL30,CHEMBL146302,O=C(c1c(F)cccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,NHPMGBFDAPCAMB,NHPMGBFDAPCAMB-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,8,23,7,25,9,22,6,12,11,15,26,19,3,14,20,4,13,18,16,2,28,21,5,17,30,10,27,1,29/rA:30OCCCFCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-NHPMGBFDAPCAMB_on_P31644_WT,Medium,ChEMBL30,CHEMBL146302,O=C(c1c(F)cccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,NHPMGBFDAPCAMB,NHPMGBFDAPCAMB-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,8,23,7,25,9,22,6,12,11,15,26,19,3,14,20,4,13,18,16,2,28,21,5,17,30,10,27,1,29/rA:30OCCCFCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-NHPMGBFDAPCAMB_on_P34903_WT,Medium,ChEMBL30,CHEMBL146302,O=C(c1c(F)cccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,NHPMGBFDAPCAMB,NHPMGBFDAPCAMB-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,8,23,7,25,9,22,6,12,11,15,26,19,3,14,20,4,13,18,16,2,28,21,5,17,30,10,27,1,29/rA:30OCCCFCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-NHPMGBFDAPCAMB_on_P47869_WT,Medium,ChEMBL30,CHEMBL146302,O=C(c1c(F)cccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,NHPMGBFDAPCAMB,NHPMGBFDAPCAMB-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,8,23,7,25,9,22,6,12,11,15,26,19,3,14,20,4,13,18,16,2,28,21,5,17,30,10,27,1,29/rA:30OCCCFCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-NHUMNXSOVZCLNK_on_O15399_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_O60391_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_Q05586_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_Q12879_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_Q13224_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHUMNXSOVZCLNK_on_Q14957_WT,Low,ChEMBL30,CHEMBL169469,Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2,NHUMNXSOVZCLNK,NHUMNXSOVZCLNK-UHFFFAOYSA-N,"InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)","""AuxInfo=1/1/N:12,11,19,13,10,18,20,7,6,3,14,8,9,17,2,16,4,1,15,5/rA:20NCCCNCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NHVQMUMRQAOKEI_on_P41594_WT,High,ChEMBL30,CHEMBL4097918,CC1CCN(c2c3ccc(Cl)cc3ncc2S(=O)(=O)c2cc(F)cc(F)c2)CC1,NHVQMUMRQAOKEI,NHVQMUMRQAOKEI-UHFFFAOYSA-N,"InChI=1S/C21H19ClF2N2O2S/c1-13-4-6-26(7-5-13)21-18-3-2-14(22)8-19(18)25-12-20(21)29(27,28)17-10-15(23)9-16(24)11-17/h2-3,8-13H,4-7H2,1H3","""AuxInfo=1/0/N:1,9,8,3,29,4,28,12,24,21,27,15,2,10,22,25,20,7,13,16,6,11,23,26,14,5,18,19,17/E:(4,5)(6,7)(10,11)(15,16)(23,24)(27,28)/CRV:29.6/rA:29CCCCNCCCCCClCCNCCSOOCCCFCCFCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d10;s7s12;d13;s14;s6d15;s16;d17;d17;s17;d20;s21;s22;d22;s24;s25;s20d25;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-NHWBLLYJZXSMAF_on_Q14833_WT,Low,ChEMBL30,CHEMBL1223160,O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1,NHWBLLYJZXSMAF,NHWBLLYJZXSMAF-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3S/c19-15(14-3-1-2-10-16-14)17-11-6-8-13(9-7-11)22(20,21)18-12-4-5-12/h1-3,6-10,12,18H,4-5H2,(H,17,19)","""AuxInfo=1/1/N:19,20,18,13,14,5,16,6,15,21,4,12,7,17,2,22,3,11,1,9,10,8/E:(4,5)(6,7)(8,9)(20,21)/CRV:22.6/rA:22OCNCCCCSOONCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;s12;s12s13;s7;s4d15;s2;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NHWGHJUHFDUWQN_on_Q14416_WT,High,ChEMBL30,CHEMBL2179323,FC(F)(F)c1c(N2CCc3c(cccc3)C2)ccn2c(CC3CC3)nnc12,NHWGHJUHFDUWQN,NHWGHJUHFDUWQN-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2","""AuxInfo=1/0/N:14,13,15,12,23,24,9,17,8,18,21,16,22,10,11,6,20,5,27,2,1,3,4,25,26,7,19/E:(5,6)(21,22,23)/rA:27FCFFCCNCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s6;d17;s18;s19;s20;s21;s22;s22s23;d20;s25;s5s19d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-NHXDOTZFMWBEJA_on_P41594_WT,High,ChEMBL30,CHEMBL3634190,CC(=O)N1CCCc2c1sc(COc1ccccc1)n2,NHXDOTZFMWBEJA,NHXDOTZFMWBEJA-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,6,15,19,7,5,12,2,14,8,11,9,20,4,3,13,10/E:(3,4)(6,7)/rA:20CCONCCCCCSCCOCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s8d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-NIAJVOHLGXVQON_on_Q13255_WT,High,ChEMBL30,CHEMBL3759137,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)scc1,NIAJVOHLGXVQON,NIAJVOHLGXVQON-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3S/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,27,26,24,2,7,15,14,22,10,3,4,20,12,23,6,11,5,21,13,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCSCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.720;  5.720,5.72,0.0,0.0,2.0,5.72,0.0
-NIAOZGCIQWUIQK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921663,CN1C(=O)N(c2cnc(C#Cc3cccnc3)cn2)CC1(C)C,NIAOZGCIQWUIQK,NIAOZGCIQWUIQK-UHFFFAOYSA-N,"InChI=1S/C17H17N5O/c1-17(2)12-22(16(23)21(17)3)15-11-19-14(10-20-15)7-6-13-5-4-8-18-9-13/h4-5,8-11H,12H2,1-3H3","""AuxInfo=1/0/N:22,23,1,14,13,11,10,15,17,18,7,20,12,9,6,3,21,16,8,19,2,5,4/E:(1,2)/rA:23CNCONCCNCCCCCCCNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-NIDRLMLRYSZXIK_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951676;16118946,COc1c2c(ncc1)sc1c2ccn(-c2ccc(C3CC3)cc2)c1=O,NIDRLMLRYSZXIK,NIDRLMLRYSZXIK-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2S/c1-24-16-8-10-21-19-17(16)15-9-11-22(20(23)18(15)25-19)14-6-4-13(5-7-14)12-2-3-12/h4-12H,2-3H2,1H3","""AuxInfo=1/0/N:1,20,21,17,22,16,23,8,12,7,13,19,18,15,11,3,4,10,5,24,6,14,25,2,9/E:(2,3)(4,5)(6,7)/rA:25COCCCNCCSCCCCNCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s19s20;s18;s15d22;s10s14;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  7.100;  7.102,7.101,0.001,0.001,2.0,7.101,0.001
-NIFIYHDIVJVLJH_on_P41594_WT,High,ChEMBL30,CHEMBL4091111,O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1,NIFIYHDIVJVLJH,NIFIYHDIVJVLJH-UHFFFAOYSA-N,"InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)4-5-18(19)21(20)12-2-1-3-15(24)6-12/h1-11H","""AuxInfo=1/0/N:25,24,26,19,20,29,8,5,11,16,13,23,6,9,27,17,4,21,15,12,22,7,10,28,18,14,1,3,2/E:(8,9)(13,14)(22,23)(27,28)/CRV:29.6/rA:29OSOCCCClCCClCCCNCCCFCCCCCCCCCFC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s27;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-NIJAFEMYFNBSBE_on_Q14833_WT,Low,ChEMBL30,CHEMBL500042,CNC(=O)CCC(CC(N)C(=O)O)C(=O)O,NIJAFEMYFNBSBE,NIJAFEMYFNBSBE-UHFFFAOYSA-N,"InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)","""AuxInfo=1/1/N:1,6,5,8,7,9,3,14,11,10,2,4,15,16,12,13/E:(13,14)(15,16)/rA:16CNCOCCCCCNCOOCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s9;d11;s11;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1013093,PMID:18578478,2008.0,PMID:18578478,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_O00591_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_O14764_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P14867_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P18505_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P18507_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P28472_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P31644_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P34903_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P47869_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P47870_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P48169_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_P78334_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_Q16445_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIJJYAXOARWZEE_on_Q99928_WT,Low,ChEMBL30,CHEMBL109,CCCC(CCC)C(=O)O,NIJJYAXOARWZEE,NIJJYAXOARWZEE-UHFFFAOYSA-N,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)","""AuxInfo=1/1/N:1,7,2,6,3,5,4,8,9,10/E:(1,2)(3,4)(5,6)(9,10)/rA:10CCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NIMIVJAPDFZIPY_on_P41594_WT,Low,ChEMBL30,CHEMBL239593,O=C(Nc1cc(Cl)ccc1)c1cccc2c1oc(O)n2,NIMIVJAPDFZIPY,NIMIVJAPDFZIPY-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,15,16,2,18,7,3,20,1,19,17/rA:20OCNCCCClCCCCCCCCCOCON/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;s17;s18;s15d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NIPQASLLMQUANY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113546,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)F)c3)n2)cc(C)n1,NIPQASLLMQUANY,NIPQASLLMQUANY-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O/c1-12-8-16(9-13(2)26-12)20-19-6-7-29-14(3)11-28(19)22(27-20)15-4-5-18(23)17(10-15)21(24)25/h4-5,8-10,14,21H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,28,11,16,17,7,8,3,26,24,12,2,27,10,15,4,20,18,6,5,21,14,19,22,23,29,25,13,9/E:(1,2)(8,9)(12,13)(24,25)/rA:29CCCCCCCCOCCCNCCCCCClCCFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s15d20;s5d14;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-NIPWDBCEPCGPGH_on_P18507_WT,Low,ChEMBL30,CHEMBL1078959,Clc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,NIPWDBCEPCGPGH,NIPWDBCEPCGPGH-UHFFFAOYSA-N,"InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:14,13,15,12,4,7,17,10,11,3,2,9,1,8,18,6,16,5/rA:18ClCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-NIPWDBCEPCGPGH_on_P28472_WT,Low,ChEMBL30,CHEMBL1078959,Clc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,NIPWDBCEPCGPGH,NIPWDBCEPCGPGH-UHFFFAOYSA-N,"InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:14,13,15,12,4,7,17,10,11,3,2,9,1,8,18,6,16,5/rA:18ClCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-NIPWDBCEPCGPGH_on_P31644_WT,Low,ChEMBL30,CHEMBL1078959,Clc1c2Cn3ncnc3-c3c(cccc3)-n2cn1,NIPWDBCEPCGPGH,NIPWDBCEPCGPGH-UHFFFAOYSA-N,"InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:14,13,15,12,4,7,17,10,11,3,2,9,1,8,18,6,16,5/rA:18ClCCCNNCNCCCCCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s3s11;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-NIRVMUZGMXCWKU_on_P31644_WT,High,ChEMBL30,CHEMBL3676424,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(Cl)cn2)no1,NIRVMUZGMXCWKU,NIRVMUZGMXCWKU-UHFFFAOYSA-N,"InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,8,24,23,7,14,18,15,17,19,27,4,2,9,25,13,3,22,6,21,10,26,28,20,12,29,11,16,5,30/E:(6,7)(8,9)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-NIRYQCLETDJFCI_on_P14867_WT,Low,ChEMBL30,CHEMBL4104908,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nn1,NIRYQCLETDJFCI,NIRYQCLETDJFCI-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-27(26-25-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,3,5,2,15,22,23,12,11,8,6,17,26,29,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNN/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NIRYQCLETDJFCI_on_P18507_WT,Low,ChEMBL30,CHEMBL4104908,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nn1,NIRYQCLETDJFCI,NIRYQCLETDJFCI-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-27(26-25-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,3,5,2,15,22,23,12,11,8,6,17,26,29,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNN/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NIRYQCLETDJFCI_on_P47870_WT,Low,ChEMBL30,CHEMBL4104908,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nn1,NIRYQCLETDJFCI,NIRYQCLETDJFCI-UHFFFAOYSA-N,"InChI=1S/C24H37N3O2/c1-15-13-27(26-25-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,3,5,2,15,22,23,12,11,8,6,17,26,29,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNN/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NIURPTHKNQOMEA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3925652,CN1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C,NIURPTHKNQOMEA,NIURPTHKNQOMEA-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O3/c1-23(2)21(30)28(22(31)27(23)3)12-13-4-9-16-17(14-5-7-15(24)8-6-14)11-19(20(25)29)26-18(16)10-13/h4-11H,12H2,1-3H3,(H2,25,29)","""AuxInfo=1/1/N:30,31,1,8,13,18,14,17,9,26,19,6,7,12,15,10,11,25,20,21,27,3,29,16,22,24,2,5,23,28,4/E:(1,2)(5,6)(7,8)/rA:31CNCONCCCCCCCCCCFCCCCCNONCCCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;s5;d27;s2s27;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NIWOUVXKABJPPE_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205365,COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(C)cc3)ncn4)c2=O)cc1,NIWOUVXKABJPPE,NIWOUVXKABJPPE-UHFFFAOYSA-N,"InChI=1S/C22H17N5O2S/c1-13-3-5-14(6-4-13)26-20-17-18-19(30-21(17)24-11-23-20)22(28)27(12-25-18)15-7-9-16(29-2)10-8-15/h3-12H,1-2H3,(H,23,24,26)","""AuxInfo=1/1/N:21,1,19,22,18,23,5,29,4,30,25,8,20,17,6,3,14,10,11,15,13,27,24,26,9,16,7,28,2,12/E:(3,4)(5,6)(7,8)(9,10)/rA:30COCCCCNCNCCSCCCNCCCCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;d15;s24;s13d25;s7s11;d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-NJCSMMJSWMRKTJ_on_P41594_WT,High,ChEMBL30,CHEMBL203720,CCCCN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,NJCSMMJSWMRKTJ,NJCSMMJSWMRKTJ-UHFFFAOYSA-N,"InChI=1S/C14H17ClN4O2/c1-2-3-7-19-9-12(20)17-13(19)18-14(21)16-11-6-4-5-10(15)8-11/h4-6,8H,2-3,7,9H2,1H3,(H2,16,17,18,20,21)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,21,6,19,15,7,10,12,20,14,9,11,5,8,13/rA:21CCCCNCCONCNCONCCCCCClC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5w?9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s19;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-NJDUMSNDBSSLHK_on_Q13255_WT,High,ChEMBL30,CHEMBL3422881,N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccccc1)C2,NJDUMSNDBSSLHK,NJDUMSNDBSSLHK-UHFFFAOYSA-N,"InChI=1S/C22H19N3OS/c23-13-19-18-11-12-25(22(26)17-9-5-2-6-10-17)15-20(18)27-21(19)24-14-16-7-3-1-4-8-16/h1-10,24H,11-12,14-15H2","""AuxInfo=1/0/N:10,24,9,11,23,25,8,12,22,26,16,17,2,6,27,7,21,15,3,14,4,19,1,5,18,20,13/E:(3,4)(5,6)(7,8)(9,10)/rA:27NCCCNCCCCCCCSCCCCNCOCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s3d14;s15;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-NJGYKSQVIYNJPM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3914154,Cc1ccc(Cl)cc1Nc1c2ncccc2n[nH]1,NJGYKSQVIYNJPM,NJGYKSQVIYNJPM-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4/c1-8-4-5-9(14)7-11(8)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,3,4,13,7,2,5,16,8,11,10,6,12,9,17,18/rA:18CCCCCClCCNCCNCCCCNN/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-NJHDFBWEGMPSBV_on_P14867_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-NJHDFBWEGMPSBV_on_P18507_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273616;CHEMBL1273620;CHEMBL1273615;CHEMBL1273618;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.170;  6.520;  5.520;  7.110;  5.520;  6.880,6.287000000000001,0.616,0.275,6.0,6.345,0.65
-NJHDFBWEGMPSBV_on_P28472_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273620;CHEMBL1273617;CHEMBL1273618;CHEMBL1273615;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.170;  5.520;  6.880;  5.520;  7.110;  6.520,6.287000000000001,0.616,0.275,6.0,6.345,0.65
-NJHDFBWEGMPSBV_on_P31644_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-NJHDFBWEGMPSBV_on_P34903_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-NJHDFBWEGMPSBV_on_P47869_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-NJHDFBWEGMPSBV_on_P48169_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NJHDFBWEGMPSBV_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270247,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1,NJHDFBWEGMPSBV,NJHDFBWEGMPSBV-UHFFFAOYSA-N,"InChI=1S/C15H7F6IN2O2/c16-14(17,18)13(15(19,20)21)26-12(25)10-4-8-7-3-6(22)1-2-9(7)24-11(8)5-23-10/h1-5,13,24H","""AuxInfo=1/0/N:23,24,20,26,15,21,19,25,18,13,16,2,4,5,9,6,7,8,10,11,12,22,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:26OCOCCFFFCFFFCNCCNCCCCICCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16s19;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NJJSTWRJIALOHE_on_P41594_WT,High,ChEMBL30,CHEMBL378040,Cc1nc(C#CCCCc2ccccc2)ccc1,NJJSTWRJIALOHE,NJJSTWRJIALOHE-UHFFFAOYSA-N,"InChI=1S/C17H17N/c1-15-9-8-14-17(18-15)13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,8-11,14H,3,6,12H2,1H3","""AuxInfo=1/0/N:1,13,7,12,14,8,6,17,18,11,15,9,5,16,2,10,4,3/E:(4,5)(10,11)/rA:18CCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-NJNOUJKWQIUPFL_on_Q14416_WT,High,ChEMBL30,CHEMBL1097044,O=C1OC(COc2cccc(C(F)(F)F)c2)CN1c1ccccc1,NJNOUJKWQIUPFL,NJNOUJKWQIUPFL-UHFFFAOYSA-N,"InChI=1S/C17H14F3NO3/c18-17(19,20)12-5-4-8-14(9-12)23-11-15-10-21(16(22)24-15)13-6-2-1-3-7-13/h1-9,15H,10-11H2","""AuxInfo=1/0/N:22,21,23,9,10,20,24,8,16,17,5,11,19,7,4,2,12,13,14,15,18,1,6,3/E:(2,3)(6,7)(18,19,20)/rA:24OCOCCOCCCCCCFFFCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s12;s12;s7d11;s4;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-NJOJLSWUQNMZBT_on_Q05586_WT,Low,ChEMBL30,CHEMBL350614,N=C(C=Cc1ccccc1)NCc1c(Cl)c(Cl)ccc1,NJOJLSWUQNMZBT,NJOJLSWUQNMZBT-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-8-4-7-13(16(14)18)11-20-15(19)10-9-12-5-2-1-3-6-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,19,6,10,20,18,4,3,12,5,13,16,2,14,17,15,1,11/E:(2,3)(5,6)/rA:20NCCCCCCCCCNCCCClCClCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-NJOJLSWUQNMZBT_on_Q13224_WT,Low,ChEMBL30,CHEMBL350614,N=C(C=Cc1ccccc1)NCc1c(Cl)c(Cl)ccc1,NJOJLSWUQNMZBT,NJOJLSWUQNMZBT-UHFFFAOYSA-N,"InChI=1S/C16H14Cl2N2/c17-14-8-4-7-13(16(14)18)11-20-15(19)10-9-12-5-2-1-3-6-12/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,19,6,10,20,18,4,3,12,5,13,16,2,14,17,15,1,11/E:(2,3)(5,6)/rA:20NCCCCCCCCCNCCCClCClCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s14;s16;d16;s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-NJUMMJUUDUYSKB_on_O00591_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_O14764_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P14867_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P18505_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P18507_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P28472_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P31644_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P34903_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P47869_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P47870_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P48169_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_P78334_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_Q16445_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJUMMJUUDUYSKB_on_Q99928_WT,Low,ChEMBL30,CHEMBL76263,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1,NJUMMJUUDUYSKB,NJUMMJUUDUYSKB-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-14-2-5-21-20(10-14)24-13-25(21)16-3-4-19-17(11-16)18(12-23-19)15-6-8-22-9-7-15/h2-5,10-13,15,22-23H,6-9H2,1H3","""AuxInfo=1/0/N:1,3,16,15,4,21,25,22,24,7,12,18,9,2,20,11,13,19,14,6,5,23,17,8,10/E:(6,7)(8,9)/rA:25CCCCCCCNCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.310,9.31,0.0,0.0,1.0,9.31,0.0
-NJZMJEBXGAEZRS_on_P41594_WT,Medium,ChEMBL30,CHEMBL185884,Clc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,NJZMJEBXGAEZRS,NJZMJEBXGAEZRS-UHFFFAOYSA-N,InChI=1S/C18H12ClN5/c19-16-9-2-1-8-15(16)13-6-5-7-14(12-13)24-22-18(21-23-24)17-10-3-4-11-20-17/h1-12H,"""AuxInfo=1/0/N:22,23,17,16,6,5,7,21,24,18,15,20,4,8,3,2,13,12,1,14,11,19,10,9/rA:24ClCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s9d12;s4d8;s3;d21;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-NKCGHGIOYKKQFX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3926904,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1,NKCGHGIOYKKQFX,NKCGHGIOYKKQFX-UHFFFAOYSA-N,"InChI=1S/C21H15FN4O/c22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h1-6,8-12H,7H2,(H2,23,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,18,25,5,20,24,22,17,19,7,10,14,6,26,4,2,11,1,21,23,27,3/E:(2,3)(4,5)(10,11)(24,25)/rA:27NCOCCCCCCCFCCCCCCCCCNCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-NKFVYUUZXLQBGE_on_Q14416_WT,High,ChEMBL30,CHEMBL3957311,FC(F)(F)c1c(CN2CCN(c3c(Cl)cc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12,NKFVYUUZXLQBGE,NKFVYUUZXLQBGE-UHFFFAOYSA-N,"InChI=1S/C22H22Cl2F3N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2","""AuxInfo=1/0/N:28,29,18,19,22,23,9,21,10,20,26,15,7,27,6,16,13,12,25,5,32,2,17,14,1,3,4,30,31,8,11,24/E:(1,2)(7,8)(9,10)(25,26,27)/rA:32FCFFCCCNCCNCCClCCClCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;d12;s13;s13;d15;s16;s16;s12d18;s11;s8s20;s6;d22;s23;s24;s25;s26;s27;s27s28;d25;s30;s5s24d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NKGIMZBQLDGCET_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110601,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(CO)n1,NKGIMZBQLDGCET,NKGIMZBQLDGCET-UHFFFAOYSA-N,"InChI=1S/C22H20F5N3O3/c1-12-6-14(7-15(11-31)28-12)20-18-4-5-32-16(9-23)10-30(18)21(29-20)13-2-3-19(17(24)8-13)33-22(25,26)27/h2-3,6-8,16,31H,4-5,9-11H2,1H3","""AuxInfo=1/0/N:1,17,18,7,8,3,29,27,11,13,31,2,16,4,30,10,25,6,19,5,15,21,12,26,22,23,24,33,28,14,32,9,20/E:(25,26,27)/rA:33CCCCCCCCOCCFCNCCCCCOCFFFCFCNCCCON/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s30;s31;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-NKIYALPHXLYICR_on_O00591_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.510;  8.220,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_O14764_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220;  7.510,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_P14867_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526;CHEMBL3427526;CHEMBL3427526;CHEMBL3427535;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430053;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0;0;0;1,1;0;1;1;1;0,0,0,0,,=,  5.940;  7.510;  6.540;  6.030;  6.460;  8.220,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P18505_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.510;  8.220;  6.460;  6.030;  5.940;  6.540,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P18507_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220;  7.510,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_P28472_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0;0,1;1;0;0;1;1,0,0,0,,=,  6.030;  6.460;  8.220;  7.510;  5.940;  6.540,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P31644_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526;CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  8.220;  7.510;  6.540;  5.940;  6.460;  6.030,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P34903_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427526;CHEMBL3427526;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1;0;0;0,1;0;0;1;1;1,0,0,0,,=,  6.460;  8.220;  7.510;  6.030;  6.540;  5.940,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P47869_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427526;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.460;  5.940;  6.540;  6.030;  8.220;  7.510,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P47870_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;1;0;0;0,0;1;0;1;1;1,0,0,0,,=,  7.510;  6.460;  8.220;  6.540;  5.940;  6.030,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P48169_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535;CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.540;  5.940;  6.030;  6.460;  8.220;  7.510,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_P78334_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220;  7.510,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427535;CHEMBL3427526,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  8.220;  7.510,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.510;  8.220,7.865,0.355,0.355,2.0,7.865,0.355
-NKIYALPHXLYICR_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427526;CHEMBL3427535;CHEMBL3427535;CHEMBL3427526;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.540;  6.030;  5.940;  6.460;  7.510;  8.220,6.7829999999999995,0.82,0.36700000000000005,6.0,6.5,0.515
-NKIYALPHXLYICR_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427526;CHEMBL3427535,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1,NKIYALPHXLYICR,NKIYALPHXLYICR-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-24-13-23-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,22,7,6,11,10,27,16,17,2,14,23,21,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNNCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.510;  8.220,7.865,0.355,0.355,2.0,7.865,0.355
-NKJKVZAUIKCFDJ_on_P41594_WT,Low,ChEMBL30,CHEMBL3655593,Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1,NKJKVZAUIKCFDJ,NKJKVZAUIKCFDJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15/h3-11H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,20,4,3,5,18,17,24,22,11,13,2,19,6,16,10,14,7,12,21,23,9,8,15/rA:24CCCCCCCONCCNCCOCCCCCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NKKMZTUMSQOAQM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947238,CC1(C)CN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)O1,NKKMZTUMSQOAQM,NKKMZTUMSQOAQM-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-10-7-14(11-20-16)4-3-13-5-8-15(19)9-6-13/h5-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,3,11,10,13,18,8,14,17,7,19,4,12,9,15,6,21,2,16,20,5,22,23/E:(1,2)(5,6)(8,9)/rA:23CCCCNCCCCCCCCCCFCCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-NKMZKWSBTUSPRU_on_P41594_WT,Medium,ChEMBL30,CHEMBL364160,COC(=O)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,NKMZKWSBTUSPRU,NKMZKWSBTUSPRU-UHFFFAOYSA-N,"InChI=1S/C20H15N5O2/c1-27-20(26)17-10-3-2-9-16(17)14-7-6-8-15(13-14)25-23-19(22-24-25)18-11-4-5-12-21-18/h2-13H,1H3","""AuxInfo=1/0/N:1,25,26,20,19,9,8,10,24,27,21,18,23,7,11,6,5,16,15,3,17,14,22,13,12,4,2/rA:27COCOCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s7d11;s6;d24;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-NKOPNLUYOHOGFZ_on_Q13255_WT,High,ChEMBL30,CHEMBL1484616,O=C(Nc1nc2c(cccc2)s1)C1c2ccccc2Oc2c1cccc2,NKOPNLUYOHOGFZ,NKOPNLUYOHOGFZ-UHFFFAOYSA-N,"InChI=1S/C21H14N2O2S/c24-20(23-21-22-15-9-3-6-12-18(15)26-21)19-13-7-1-4-10-16(13)25-17-11-5-2-8-14(17)19/h1-12,19H,(H,22,23,24)","""AuxInfo=1/1/N:16,24,10,17,25,9,15,23,11,18,26,8,14,22,6,19,21,7,13,2,4,5,3,1,20,12/E:(1,2)(4,5)(7,8)(10,11)(13,14)(16,17)/rA:26OCNCNCCCCCCSCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s6d10;s4s7;s2;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  5.320;  5.320,5.32,0.0,0.0,2.0,5.32,0.0
-NKPUWTADMNLUBA_on_P41594_WT,High,ChEMBL30,CHEMBL3702456,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1F)ccc3,NKPUWTADMNLUBA,NKPUWTADMNLUBA-UHFFFAOYSA-N,"InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2","""AuxInfo=1/0/N:31,30,32,11,12,23,24,18,19,14,3,13,7,10,21,17,16,22,9,15,25,5,2,28,26,29,4,8,27,6,20,1/E:(4,5)/rA:32OCCNCNCNCCCCCCCCCCCNCCCCCFNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;s28;d21;s30;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-NKPUWTADMNLUBA_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702456,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1F)ccc3,NKPUWTADMNLUBA,NKPUWTADMNLUBA-UHFFFAOYSA-N,"InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2","""AuxInfo=1/0/N:31,30,32,11,12,23,24,18,19,14,3,13,7,10,21,17,16,22,9,15,25,5,2,28,26,29,4,8,27,6,20,1/E:(4,5)/rA:32OCCNCNCNCCCCCCCCCCCNCCCCCFNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;s28;d21;s30;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-NKQVWHXQWZMTBQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3938665,N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)ccc1F,NKQVWHXQWZMTBQ,NKQVWHXQWZMTBQ-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O2/c22-20-7-6-15(10-16(20)12-23)21(27)25-8-9-26-18(13-25)11-17(24-26)14-28-19-4-2-1-3-5-19/h1-7,10-11H,8-9,13-14H2","""AuxInfo=1/0/N:19,18,20,17,21,25,26,9,10,4,22,2,24,14,5,3,13,23,16,27,6,28,1,12,8,11,7,15/E:(2,3)(4,5)/rA:28NCCCCCONCCNNCCOCCCCCCCCCCCCF/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s11d22;s8s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-NKRUXYILBGTIJT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3940116,CC1COCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,NKRUXYILBGTIJT,NKRUXYILBGTIJT-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c1-14-13-28-9-8-26(14)12-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)27)25-20(18)10-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,27)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,6,5,28,21,8,3,2,9,14,17,12,13,27,22,23,18,24,26,7,25,4/E:(3,4)(5,6)/rA:28CCCOCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-NKSBSXBZWIZUKS_on_P18507_WT,Low,ChEMBL30,CHEMBL210769,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(CO)c1,NKSBSXBZWIZUKS,NKSBSXBZWIZUKS-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O2/c1-29-19(24-13-26-29)12-32-22-20(15-6-4-5-14(9-15)11-31)18-10-25-27-21(30(18)28-22)16-7-2-3-8-17(16)23/h2-10,13,31H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,22,30,7,4,29,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,31,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-NKSBSXBZWIZUKS_on_P28472_WT,Low,ChEMBL30,CHEMBL210769,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(CO)c1,NKSBSXBZWIZUKS,NKSBSXBZWIZUKS-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O2/c1-29-19(24-13-26-29)12-32-22-20(15-6-4-5-14(9-15)11-31)18-10-25-27-21(30(18)28-22)16-7-2-3-8-17(16)23/h2-10,13,31H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,22,30,7,4,29,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,31,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-NKSBSXBZWIZUKS_on_P34903_WT,Low,ChEMBL30,CHEMBL210769,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(CO)c1,NKSBSXBZWIZUKS,NKSBSXBZWIZUKS-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O2/c1-29-19(24-13-26-29)12-32-22-20(15-6-4-5-14(9-15)11-31)18-10-25-27-21(30(18)28-22)16-7-2-3-8-17(16)23/h2-10,13,31H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,26,14,17,32,22,30,7,4,29,25,13,18,23,6,24,12,9,19,5,21,3,20,10,2,11,31,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-NKSQLOHZBFUKLF_on_O00591_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_O14764_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P14867_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P18505_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P18507_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P28472_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P31644_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P34903_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P47869_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P47870_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P48169_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_P78334_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_Q16445_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.600;  6.800,7.2,0.4,0.4,2.0,7.2,0.4
-NKSQLOHZBFUKLF_on_Q99928_WT,Low,ChEMBL30,CHEMBL1193023,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1,NKSQLOHZBFUKLF,NKSQLOHZBFUKLF-UHFFFAOYSA-N,"InChI=1S/C18H14N4OS/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONS/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.800;  7.600,7.2,0.4,0.4,2.0,7.2,0.4
-NKTIPELEHVFXSE_on_P41594_WT,High,ChEMBL30,CHEMBL3920519,CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1nn(-c2cc(Cl)ccc2)nn1,NKTIPELEHVFXSE,NKTIPELEHVFXSE-UHFFFAOYSA-N,"InChI=1S/C17H15ClN8O2/c1-10(15-20-24-26(23-15)13-5-3-4-12(18)9-13)28-17-22-21-16(25(17)2)11-6-7-19-14(27)8-11/h3-10H,1-2H3,(H,19,27)","""AuxInfo=1/1/N:1,16,25,24,26,9,10,14,21,2,8,22,20,12,17,7,4,23,11,28,6,5,18,27,15,19,13,3/rA:28CCOCNNCCCCNCOCNCCNNCCCClCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s19;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NKXXPKQCUPYLTF_on_P41594_WT,High,ChEMBL30,CHEMBL3655646,CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1,NKXXPKQCUPYLTF,NKXXPKQCUPYLTF-UHFFFAOYSA-N,"InChI=1S/C18H15BrN4O/c1-23(16-6-3-8-20-12-16)15-7-9-21-17(11-15)22-18(24)13-4-2-5-14(19)10-13/h2-12H,1H3,(H,21,22,24)","""AuxInfo=1/1/N:1,19,5,18,20,4,10,6,11,23,24,8,17,21,9,3,13,15,22,7,12,14,2,16/rA:24CNCCCCNCCCCNCNCOCCCCCBrCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-NKZKCEXJWQNBNR_on_Q14416_WT,High,ChEMBL30,CHEMBL3337504,CC(C)CCn1ccc(N2CCCCC2)c(C#N)c1=O,NKZKCEXJWQNBNR,NKZKCEXJWQNBNR-UHFFFAOYSA-N,"InChI=1S/C16H23N3O/c1-13(2)6-10-19-11-7-15(14(12-17)16(19)20)18-8-4-3-5-9-18/h7,11,13H,3-6,8-10H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,4,8,11,15,5,7,17,2,16,9,19,18,10,6,20/E:(1,2)(4,5)(8,9)/rA:20CCCCCNCCCNCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s10s14;d9;s16;t17;s6s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-NLCMEPOEDTUKDY_on_O15399_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_O60391_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_Q05586_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_Q12879_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_Q13224_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCMEPOEDTUKDY_on_Q14957_WT,Low,ChEMBL30,CHEMBL167004,CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1,NLCMEPOEDTUKDY,NLCMEPOEDTUKDY-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,5,11,6,10,19,18,12,13,4,8,7,2,9/E:(1,2)/rA:19CNCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-NLCXLBKGAWGKIQ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118949;CHEMBL1951673,COc1c2c(ncc1)sc1c2ccn(-c2ccccc2C)c1=O,NLCXLBKGAWGKIQ,NLCXLBKGAWGKIQ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2S/c1-11-5-3-4-6-13(11)20-10-8-12-15-14(22-2)7-9-19-17(15)23-16(12)18(20)21/h3-10H,1-2H3","""AuxInfo=1/0/N:21,1,18,17,19,16,8,12,7,13,20,11,15,3,4,10,5,22,6,14,23,2,9/rA:23COCCCNCCSCCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.071;  7.070,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-NLDQWPZREAMWLR_on_P41594_WT,High,ChEMBL30,CHEMBL3747073,Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1,NLDQWPZREAMWLR,NLDQWPZREAMWLR-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)22-11-12-23-19(20(22)24)13-16(21-23)14-25-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,3,25,4,24,7,8,20,12,2,11,5,14,21,22,10,6,9,23,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25CCCCCNCCNNCCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11;s9d20;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.150;  7.150,7.15,0.0,0.0,2.0,7.15,0.0
-NLDQWPZREAMWLR_on_Q14832_WT,High,ChEMBL30,CHEMBL3747073,Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1,NLDQWPZREAMWLR,NLDQWPZREAMWLR-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)22-11-12-23-19(20(22)24)13-16(21-23)14-25-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,3,25,4,24,7,8,20,12,2,11,5,14,21,22,10,6,9,23,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25CCCCCNCCNNCCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11;s9d20;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-NLEQOPYBIKKOPK_on_P14867_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.760;  7.760,7.76,0.0,0.0,2.0,7.76,0.0
-NLEQOPYBIKKOPK_on_P18507_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL824296;CHEMBL823916;CHEMBL681480;CHEMBL683045;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.760;  9.190;  8.400;  7.670;  7.540;  9.190;  8.400;  7.540;  7.670;  7.760,8.112,0.615,0.205,10.0,7.76,0.22
-NLEQOPYBIKKOPK_on_P28472_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL683047;CHEMBL822165;CHEMBL685338;CHEMBL682251;CHEMBL683045;CHEMBL681480;CHEMBL681248;CHEMBL824296;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648,2000;1998;1998;1998;2000;2000;2000;2000;1998;1998,0,0,0,1,0,,=,  7.760;  8.400;  7.760;  9.190;  7.540;  8.400;  9.190;  7.670;  7.670;  7.540,8.112,0.615,0.205,10.0,7.76,0.22
-NLEQOPYBIKKOPK_on_P31644_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.190;  9.190,9.19,0.0,0.0,2.0,9.19,0.0
-NLEQOPYBIKKOPK_on_P34903_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-NLEQOPYBIKKOPK_on_P47869_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.670;  7.670,7.67,0.0,0.0,2.0,7.67,0.0
-NLEQOPYBIKKOPK_on_Q16445_WT,Low,ChEMBL30,CHEMBL415293,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O,NLEQOPYBIKKOPK,NLEQOPYBIKKOPK-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-NLFVFVQFPLEKDA_on_P14867_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P18505_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P28472_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P31644_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P34903_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P47869_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P47870_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_P48169_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLFVFVQFPLEKDA_on_Q16445_WT,Low,ChEMBL30,CHEMBL1092169,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1,NLFVFVQFPLEKDA,NLFVFVQFPLEKDA-UHFFFAOYSA-N,"InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)","""AuxInfo=1/1/N:1,3,20,21,19,22,27,32,28,31,33,12,26,29,18,25,14,23,10,17,8,7,5,15,2,30,24,9,16,13,11,6,4,34/E:(1,2)(7,8)(9,10)/rA:34CCCOCOCCNCOCOCCNCCCCCCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s18d22;s23;s17;s25;d26;s27;d28;s29;s29;s26d31;s14d25;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1117107,PMID:20096577,2010.0,PMID:20096577,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-NLHZFVVYRMIQRD_on_P41594_WT,Medium,ChEMBL30,CHEMBL439571,O=C(Nc1ccccn1)c1cccc2c1nc(O)o2,NLHZFVVYRMIQRD,NLHZFVVYRMIQRD-UHFFFAOYSA-N,"InChI=1S/C13H9N3O3/c17-12(15-10-6-1-2-7-14-10)8-4-3-5-9-11(8)16-13(18)19-9/h1-7H,(H,16,18)(H,14,15,17)","""AuxInfo=1/1/N:6,7,12,11,13,5,8,10,14,4,15,2,17,9,3,16,1,18,19/rA:19OCNCCCCCNCCCCCCNCOO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;s15;d16;s17;s14s17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-NLJIBRZHMWGSMN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL107114,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCCCC2)ccc1,NLJIBRZHMWGSMN,NLJIBRZHMWGSMN-UHFFFAOYSA-N,"InChI=1S/C20H23F3N2O3S/c21-20(22,23)15-29(26,27)25(14-16-6-5-11-24-13-16)17-7-4-10-19(12-17)28-18-8-2-1-3-9-18/h4-7,10-13,18H,1-3,8-9,14-15H2","""AuxInfo=1/0/N:24,23,25,28,15,16,29,22,26,27,14,18,12,10,4,11,17,21,19,5,6,7,8,13,9,1,3,20,2/E:(2,3)(8,9)(21,22,23)(26,27)/CRV:29.6/rA:29OSOCCFFFNCCCNCCCCCCOCCCCCCCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;s22;s23;s24;s21s25;d19;s27;s17d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-NLJLLPXOYMEURM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3944839,Oc1ccc(Nc2c3ncccc3n[nH]2)cc1F,NLJLLPXOYMEURM,NLJLLPXOYMEURM-UHFFFAOYSA-N,"InChI=1S/C12H9FN4O/c13-8-6-7(3-4-10(8)18)15-12-11-9(16-17-12)2-1-5-14-11/h1-6,18H,(H2,15,16,17)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,17,13,2,8,7,18,9,6,14,15,1/rA:18OCCCCNCCNCCCCNNCCF/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-NLKMSGKKWFPRNL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115246,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(CF)n1,NLKMSGKKWFPRNL,NLKMSGKKWFPRNL-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-7-15(3-4-20(13)32-23(26)27)22-29-21(16-8-14(2)28-17(9-16)10-24)19-5-6-31-18(11-25)12-30(19)22/h3-4,7-9,18,23H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:25,1,17,18,7,8,26,3,28,30,11,13,24,2,16,4,29,10,6,19,5,15,21,31,12,22,23,32,27,14,9,20/E:(26,27)/rA:32CCCCCCCCOCCFCNCCCCCOCFFCCCNCCCFN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s30;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-NLLASRKEJOMNLT_on_P41594_WT,High,ChEMBL30,CHEMBL2069382,Cc1cc(-c2noc(C3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)ccc1,NLLASRKEJOMNLT,NLLASRKEJOMNLT-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2/c1-12-4-3-5-14(8-12)19-22-20(26-23-19)15-9-18(25)24(11-15)16-7-6-13(2)17(21)10-16/h3-8,10,15H,9,11H2,1-2H3","""AuxInfo=1/0/N:1,18,25,26,24,16,15,3,10,21,22,2,17,4,9,14,19,11,5,8,20,23,6,13,12,7/rA:26CCCCCNOCCCCONCCCCCCClCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s19;s14d19;s9s13;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-NLMNATGMTCFUJT_on_P14867_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.960,9.96,0.0,0.0,1.0,9.96,0.0
-NLMNATGMTCFUJT_on_P18507_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.000;  9.960;  9.700; 10.050,9.927999999999999,0.135,0.078,4.0,9.98,0.045
-NLMNATGMTCFUJT_on_P28472_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681480;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.050;  9.700;  9.960; 10.000,9.927999999999999,0.135,0.078,4.0,9.98,0.045
-NLMNATGMTCFUJT_on_P31644_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-NLMNATGMTCFUJT_on_P34903_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.050,10.05,0.0,0.0,1.0,10.05,0.0
-NLMNATGMTCFUJT_on_P47869_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-NLMNATGMTCFUJT_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144841,COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,NLMNATGMTCFUJT,NLMNATGMTCFUJT-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,4,5,22,8,13,3,21,9,6,20,10,7,19,12,11,2/E:(3,4)(5,6)/rA:22COCCCCNCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-NLNMCEXQEHYXBB_on_O00222_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3404405,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLNMCEXQEHYXBB_on_O15303_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3404403,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLNMCEXQEHYXBB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3404400,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLNMCEXQEHYXBB_on_Q14416_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3404401,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLNMCEXQEHYXBB_on_Q14831_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3404404,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLNMCEXQEHYXBB_on_Q14832_WT,High,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3404398,PMID:25683622,2015.0,PMID:25683622,2015,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-NLNMCEXQEHYXBB_on_Q14833_WT,Low,ChEMBL30,CHEMBL3401195,O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12,NLNMCEXQEHYXBB,NLNMCEXQEHYXBB-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3404402,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NLRPPLOYTPVRCO_on_P41594_WT,High,ChEMBL30,CHEMBL3968545,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(Cl)cc(F)cc2)O1,NLRPPLOYTPVRCO,NLRPPLOYTPVRCO-UHFFFAOYSA-N,"InChI=1S/C20H14ClF3N2O2/c21-16-6-14(22)3-4-15(16)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)","""AuxInfo=1/1/N:8,9,26,27,6,23,11,15,16,18,7,10,5,24,20,21,4,19,2,12,22,25,13,14,17,3,1,28/E:(7,8)(23,24)/rA:28OCNCCCCCCCCCFFCCNCCCCClCCFCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;s21;d23;s24;s24;s20d26;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  7.440;  7.220,7.33,0.11,0.11,2.0,7.33,0.11
-NLSAPISKMYKKKS_on_Q05586_WT,Low,ChEMBL30,CHEMBL4202517,Cc1csc(-c2cnc3ccn(Cc4cccnn4)c3c2)c1,NLSAPISKMYKKKS,NLSAPISKMYKKKS-UHFFFAOYSA-N,"InChI=1S/C17H14N4S/c1-12-7-17(22-11-12)13-8-16-15(18-9-13)4-6-21(16)10-14-3-2-5-19-20-14/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,22,21,7,13,3,2,6,14,9,20,5,8,18,19,12,4/rA:22CCCSCCCNCCCNCCCCCNNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9s12;s6d20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NLSAPISKMYKKKS_on_Q13224_WT,Low,ChEMBL30,CHEMBL4202517,Cc1csc(-c2cnc3ccn(Cc4cccnn4)c3c2)c1,NLSAPISKMYKKKS,NLSAPISKMYKKKS-UHFFFAOYSA-N,"InChI=1S/C17H14N4S/c1-12-7-17(22-11-12)13-8-16-15(18-9-13)4-6-21(16)10-14-3-2-5-19-20-14/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,22,21,7,13,3,2,6,14,9,20,5,8,18,19,12,4/rA:22CCCSCCCNCCCNCCCCCNNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s9s12;s6d20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NLWOVFYGWVOAAG_on_P18507_WT,Low,ChEMBL30,CHEMBL378216,Cc1c(-c2c3cnnc(-c4ccccc4F)n3nc2OCc2ncnn2C)cccc1,NLWOVFYGWVOAAG,NLWOVFYGWVOAAG-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c1-14-7-3-4-8-15(14)20-18-11-25-27-21(16-9-5-6-10-17(16)23)30(18)28-22(20)31-12-19-24-13-26-29(19)2/h3-11,13H,12H2,1-2H3","""AuxInfo=1/0/N:1,27,30,29,12,13,31,28,11,14,6,21,24,2,3,10,15,5,22,4,9,19,16,23,7,25,8,18,26,17,20/rA:31CCCCCCNNCCCCCCCFNNCOCCNCNNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s15;s5s9;s17;s4d18;s19;s20;s21;d22;s23;d24;s22s25;s26;s3;d28;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-NLWOVFYGWVOAAG_on_P28472_WT,Low,ChEMBL30,CHEMBL378216,Cc1c(-c2c3cnnc(-c4ccccc4F)n3nc2OCc2ncnn2C)cccc1,NLWOVFYGWVOAAG,NLWOVFYGWVOAAG-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c1-14-7-3-4-8-15(14)20-18-11-25-27-21(16-9-5-6-10-17(16)23)30(18)28-22(20)31-12-19-24-13-26-29(19)2/h3-11,13H,12H2,1-2H3","""AuxInfo=1/0/N:1,27,30,29,12,13,31,28,11,14,6,21,24,2,3,10,15,5,22,4,9,19,16,23,7,25,8,18,26,17,20/rA:31CCCCCCNNCCCCCCCFNNCOCCNCNNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s15;s5s9;s17;s4d18;s19;s20;s21;d22;s23;d24;s22s25;s26;s3;d28;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-NLWOVFYGWVOAAG_on_P34903_WT,Low,ChEMBL30,CHEMBL378216,Cc1c(-c2c3cnnc(-c4ccccc4F)n3nc2OCc2ncnn2C)cccc1,NLWOVFYGWVOAAG,NLWOVFYGWVOAAG-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c1-14-7-3-4-8-15(14)20-18-11-25-27-21(16-9-5-6-10-17(16)23)30(18)28-22(20)31-12-19-24-13-26-29(19)2/h3-11,13H,12H2,1-2H3","""AuxInfo=1/0/N:1,27,30,29,12,13,31,28,11,14,6,21,24,2,3,10,15,5,22,4,9,19,16,23,7,25,8,18,26,17,20/rA:31CCCCCCNNCCCCCCCFNNCOCCNCNNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s15;s5s9;s17;s4d18;s19;s20;s21;d22;s23;d24;s22s25;s26;s3;d28;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-NLXMKEVCFSSIPW_on_Q14416_WT,High,ChEMBL30,CHEMBL3965244,CC(=O)c1c(O)c(C(F)(F)F)c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)cc1,NLXMKEVCFSSIPW,NLXMKEVCFSSIPW-UHFFFAOYSA-N,"InChI=1S/C22H16F3N5O4/c1-12(31)16-5-6-17(19(20(16)32)22(23,24)25)33-11-13-3-2-4-15(9-13)34-18-10-14(7-8-26-18)21-27-29-30-28-21/h2-10,32H,11H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,17,16,18,34,33,24,23,32,31,14,2,15,25,19,4,12,21,7,5,26,8,9,10,11,22,27,30,28,29,3,6,13,20/E:(23,24,25)(27,28)(29,30)/rA:34CCOCCOCCFFFCOCCCCCCOCNCCCCNNNNCCCC/rB:s1;d2;s2;d4;s5;s5;s7;s8;s8;s8;d7;s12;s13;s14;d15;s16;d17;s18;s19;s20;d21;s22;d23;s24;s25;d26;s27;s28;s26d29;s21d25;s15d19;s12;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-NLXZQFMPNGKKQX_on_O15399_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_O60391_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_Q05586_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_Q12879_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_Q13224_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NLXZQFMPNGKKQX_on_Q14957_WT,Low,ChEMBL30,CHEMBL296068,Cc1cc(C)c2nc(O)c(O)nc2c1,NLXZQFMPNGKKQX,NLXZQFMPNGKKQX-UHFFFAOYSA-N,"InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,5,3,14,2,4,13,6,10,8,12,7,11,9/rA:14CCCCCCNCOCONCC/rB:s1;d2;s3;s4;d4;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-NMBQWHULIFALHE_on_Q14416_WT,High,ChEMBL30,CHEMBL2029794,CC(C)CCn1ccc(-c2cc(Cl)c(OCC3CC3)cc2)c(C#N)c1=O,NMBQWHULIFALHE,NMBQWHULIFALHE-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O2/c1-14(2)7-9-24-10-8-17(18(12-23)21(24)25)16-5-6-20(19(22)11-16)26-13-15-3-4-15/h5-6,8,10-11,14-15H,3-4,7,9,13H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,21,20,4,8,5,7,11,23,16,2,17,10,9,22,12,14,25,13,24,6,26,15/E:(1,2)(3,4)/rA:26CCCCCNCCCCCCClCOCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s17;s17s18;s14;s10d20;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-NMCJOUWQNLHBKF_on_P14867_WT,Low,ChEMBL30,CHEMBL196982,CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1,NMCJOUWQNLHBKF,NMCJOUWQNLHBKF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,7,14,18,8,6,22,11,21,2,13,9,10,5,12,20,19,4/E:(1,2)(4,5)(7,8)/rA:22CCCOCCCCCCCCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-NMCJOUWQNLHBKF_on_P18507_WT,Low,ChEMBL30,CHEMBL196982,CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1,NMCJOUWQNLHBKF,NMCJOUWQNLHBKF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,7,14,18,8,6,22,11,21,2,13,9,10,5,12,20,19,4/E:(1,2)(4,5)(7,8)/rA:22CCCOCCCCCCCCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882866;CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920;  8.080;  7.570,7.857,0.213,0.151,3.0,7.92,0.16
-NMCJOUWQNLHBKF_on_P28472_WT,Low,ChEMBL30,CHEMBL196982,CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1,NMCJOUWQNLHBKF,NMCJOUWQNLHBKF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,7,14,18,8,6,22,11,21,2,13,9,10,5,12,20,19,4/E:(1,2)(4,5)(7,8)/rA:22CCCOCCCCCCCCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570;  7.920;  8.080,7.857,0.213,0.151,3.0,7.92,0.16
-NMCJOUWQNLHBKF_on_P31644_WT,Low,ChEMBL30,CHEMBL196982,CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1,NMCJOUWQNLHBKF,NMCJOUWQNLHBKF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,7,14,18,8,6,22,11,21,2,13,9,10,5,12,20,19,4/E:(1,2)(4,5)(7,8)/rA:22CCCOCCCCCCCCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-NMCJOUWQNLHBKF_on_P34903_WT,Low,ChEMBL30,CHEMBL196982,CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1,NMCJOUWQNLHBKF,NMCJOUWQNLHBKF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)22-18-10-6-9-16(11-18)17-12-19(21-20-13-17)15-7-4-3-5-8-15/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,7,14,18,8,6,22,11,21,2,13,9,10,5,12,20,19,4/E:(1,2)(4,5)(7,8)/rA:22CCCOCCCCCCCCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-NMCKJFCJIHCHIS_on_O00591_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_O14764_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P14867_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P18505_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P18507_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P28472_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P31644_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P34903_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P47869_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P47870_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P48169_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_P78334_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMCKJFCJIHCHIS_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322863,Nc1cccc(C(=O)O)n1,NMCKJFCJIHCHIS,NMCKJFCJIHCHIS-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,5,3,6,2,7,1,10,8,9/E:(9,10)/rA:10NCCCCCCOON/rB:s1;d2;s3;d4;s5;s6;d7;s7;s2d6;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NMEOSLOGBBVUHF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3970929,Clc1cc(Nc2c3ncccc3n[nH]2)cnc1Oc1ccccn1,NMEOSLOGBBVUHF,NMEOSLOGBBVUHF-UHFFFAOYSA-N,"InChI=1S/C16H11ClN6O/c17-11-8-10(9-20-16(11)24-13-5-1-2-6-18-13)21-15-14-12(22-23-15)4-3-7-19-14/h1-9H,(H2,21,22,23)","""AuxInfo=1/1/N:21,22,10,11,20,23,9,3,15,4,2,12,19,7,6,17,1,24,8,16,5,13,14,18/rA:24ClCCCNCCNCCCCNNCNCOCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-NMICMKPQYWAFKS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3951321,CC1(C)CCN(c2ccc(C#Cc3cncc(F)c3)cn2)C(=O)O1,NMICMKPQYWAFKS,NMICMKPQYWAFKS-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O2/c1-18(2)7-8-22(17(23)24-18)16-6-5-13(11-21-16)3-4-14-9-15(19)12-20-10-14/h5-6,9-12H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,11,12,9,8,4,5,19,14,20,16,10,13,17,7,22,2,18,15,21,6,23,24/E:(1,2)/rA:24CCCCCNCCCCCCCCNCCFCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-NMIWQCPJXNFYRR_on_P14867_WT,Low,ChEMBL30,CHEMBL201559,N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NMIWQCPJXNFYRR,NMIWQCPJXNFYRR-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-15-3-1-2-12(14(15)9-26)13-8-11(4-5-16(13)22)17-10-27-19-28-18(20(23,24)25)6-7-29(17)19/h1-8,10H","""AuxInfo=1/0/N:7,8,6,14,13,26,27,29,2,17,15,9,10,3,4,11,16,21,19,22,5,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCFCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s4;d6;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-NMIWQCPJXNFYRR_on_P18507_WT,Low,ChEMBL30,CHEMBL201559,N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NMIWQCPJXNFYRR,NMIWQCPJXNFYRR-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-15-3-1-2-12(14(15)9-26)13-8-11(4-5-16(13)22)17-10-27-19-28-18(20(23,24)25)6-7-29(17)19/h1-8,10H","""AuxInfo=1/0/N:7,8,6,14,13,26,27,29,2,17,15,9,10,3,4,11,16,21,19,22,5,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCFCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s4;d6;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864002;CHEMBL864004;CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.340;  8.120;  8.550,8.337,0.17600000000000002,0.124,3.0,8.34,0.21
-NMIWQCPJXNFYRR_on_P28472_WT,Low,ChEMBL30,CHEMBL201559,N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NMIWQCPJXNFYRR,NMIWQCPJXNFYRR-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-15-3-1-2-12(14(15)9-26)13-8-11(4-5-16(13)22)17-10-27-19-28-18(20(23,24)25)6-7-29(17)19/h1-8,10H","""AuxInfo=1/0/N:7,8,6,14,13,26,27,29,2,17,15,9,10,3,4,11,16,21,19,22,5,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCFCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s4;d6;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864005;CHEMBL864004;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.550;  8.120;  8.340,8.337,0.17600000000000002,0.124,3.0,8.34,0.21
-NMIWQCPJXNFYRR_on_P31644_WT,Low,ChEMBL30,CHEMBL201559,N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NMIWQCPJXNFYRR,NMIWQCPJXNFYRR-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-15-3-1-2-12(14(15)9-26)13-8-11(4-5-16(13)22)17-10-27-19-28-18(20(23,24)25)6-7-29(17)19/h1-8,10H","""AuxInfo=1/0/N:7,8,6,14,13,26,27,29,2,17,15,9,10,3,4,11,16,21,19,22,5,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCFCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s4;d6;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-NMIWQCPJXNFYRR_on_P34903_WT,Low,ChEMBL30,CHEMBL201559,N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NMIWQCPJXNFYRR,NMIWQCPJXNFYRR-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-15-3-1-2-12(14(15)9-26)13-8-11(4-5-16(13)22)17-10-27-19-28-18(20(23,24)25)6-7-29(17)19/h1-8,10H","""AuxInfo=1/0/N:7,8,6,14,13,26,27,29,2,17,15,9,10,3,4,11,16,21,19,22,5,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCFCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s4;d6;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-NMKAJVMYIOJXPQ_on_P41594_WT,High,ChEMBL30,CHEMBL206372,Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccc(F)cc2)c1,NMKAJVMYIOJXPQ,NMKAJVMYIOJXPQ-UHFFFAOYSA-N,"InChI=1S/C22H16FNO3/c1-14-10-17(24-21(25)19-4-2-3-5-20(19)22(24)26)12-18(11-14)27-13-15-6-8-16(23)9-7-15/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,11,12,10,13,21,26,22,25,3,27,16,19,2,20,23,4,17,9,8,14,6,24,5,15,7,18/E:(2,3)(4,5)(6,7)(8,9)(19,20)(21,22)(25,26)/rA:27CCCCNCOCCCCCCCOCCOCCCCCFCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s5s9;d14;d4;s16;s17;s18;s19;d20;s21;d22;s23;s23;s20d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-NMKCKZQPMUTSIC_on_P41594_WT,High,ChEMBL30,CHEMBL4060424,Cc1cc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)cc(Cl)c1,NMKCKZQPMUTSIC,NMKCKZQPMUTSIC-UHFFFAOYSA-N,"InChI=1S/C19H15ClFN3O2/c1-11-6-12(8-13(20)7-11)19(25)24-5-4-17-16(10-24)23-18(26-17)15-3-2-14(21)9-22-15/h2-3,6-9H,4-5,10H2,1H3","""AuxInfo=1/0/N:1,17,16,9,8,3,26,23,20,12,2,4,24,18,15,11,10,14,5,25,19,21,13,7,6,22/rA:26CCCCCONCCCCCNCCCCCFCNOCCClC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;d13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-NMMJOCVBNVTBNP_on_O00591_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_O14764_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P14867_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P18505_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P18507_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P28472_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P31644_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P34903_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P47869_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P47870_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P48169_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_P78334_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_Q16445_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMMJOCVBNVTBNP_on_Q99928_WT,Low,ChEMBL30,CHEMBL59379,O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2,NMMJOCVBNVTBNP,NMMJOCVBNVTBNP-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,"""AuxInfo=1/0/N:6,11,18,7,10,19,15,3,5,16,8,14,2,13,4,17,9,1,12/E:(1,2)(4,5)/rA:19OCCCCCCCFCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-NMNSVVNVEQFHNE_on_Q13255_WT,High,ChEMBL30,CHEMBL2205914,COc1ccc(-n2cnc3c(sc4c3c(NCCCCO)ncn4)c2=O)cc1,NMNSVVNVEQFHNE,NMNSVVNVEQFHNE-UHFFFAOYSA-N,"InChI=1S/C19H19N5O3S/c1-27-13-6-4-12(5-7-13)24-11-23-15-14-17(20-8-2-3-9-25)21-10-22-18(14)28-16(15)19(24)26/h4-7,10-11,25H,2-3,8-9H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,18,19,5,27,4,28,17,20,23,8,6,3,14,10,11,15,13,25,16,22,24,9,7,21,26,2,12/E:(4,5)(6,7)/rA:28COCCCCNCNCCSCCCNCCCCONCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s19;s20;d15;s22;s13d23;s7s11;d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-NMQRDWZUUYMPNZ_on_P41594_WT,High,ChEMBL30,CHEMBL381483,Cc1nc(C#Cc2cccc(OC(F)(F)F)c2)cs1,NMQRDWZUUYMPNZ,NMQRDWZUUYMPNZ-UHFFFAOYSA-N,"InChI=1S/C13H8F3NOS/c1-9-17-11(8-19-9)6-5-10-3-2-4-12(7-10)18-13(14,15)16/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,17,18,2,7,4,11,13,14,15,16,3,12,19/E:(14,15,16)/rA:19CCNCCCCCCCCOCFFFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s13;s13;s7d11;d4;s2s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-NMTXQGIIEZHTFS_on_Q05586_WT,Medium,ChEMBL30,CHEMBL324940,O=C1COc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)N1,NMTXQGIIEZHTFS,NMTXQGIIEZHTFS-UHFFFAOYSA-N,"InChI=1S/C24H26N2O2/c27-24-18-28-23-17-20(9-10-22(23)25-24)8-4-5-13-26-14-11-21(12-15-26)16-19-6-2-1-3-7-19/h1-3,6-7,9-10,17,21H,5,11-16,18H2,(H,25,27)","""AuxInfo=1/1/N:22,21,23,11,12,20,24,10,8,7,16,25,13,15,26,18,27,3,19,9,17,6,5,2,28,14,1,4/E:(2,3)(6,7)(11,12)(14,15)/rA:28OCCOCCCCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;s5d9;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-NMWCHQPXBFRMQA_on_P41594_WT,High,ChEMBL30,CHEMBL1290444,N#Cc1ccc(COCC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)s1,NMWCHQPXBFRMQA,NMWCHQPXBFRMQA-UHFFFAOYSA-N,"InChI=1S/C18H17Cl2N3O2S/c19-13-1-4-17(16(20)9-13)22-5-7-23(8-6-22)18(24)12-25-11-15-3-2-14(10-21)26-15/h1-4,9H,5-8,11-12H2","""AuxInfo=1/0/N:18,4,5,17,14,24,13,25,21,2,7,9,19,3,6,22,16,10,20,23,1,15,12,11,8,26/E:(5,6)(7,8)/rA:26NCCCCCCOCCONCCNCCCCClCCClCCS/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-NNAQSFPNKRJTCE_on_P41594_WT,High,ChEMBL30,CHEMBL3644427,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)C)C3=C2)cn1,NNAQSFPNKRJTCE,NNAQSFPNKRJTCE-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2/c1-22(2,3)18-7-5-6-17-16(18)8-9-26-19(17)10-20(23-11-21(26)27)25-12-15(13-28-4)24-14-25/h5-7,10,12,14H,8-9,11,13H2,1-4H3","""AuxInfo=1/0/N:22,23,24,1,18,17,19,14,13,26,9,5,3,27,4,15,16,20,25,7,10,21,8,28,6,12,11,2/E:(1,2,3)/rA:28COCCCNCNCCONCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21;s21;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-NNAQSFPNKRJTCE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644427,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)C)C3=C2)cn1,NNAQSFPNKRJTCE,NNAQSFPNKRJTCE-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2/c1-22(2,3)18-7-5-6-17-16(18)8-9-26-19(17)10-20(23-11-21(26)27)25-12-15(13-28-4)24-14-25/h5-7,10,12,14H,8-9,11,13H2,1-4H3","""AuxInfo=1/0/N:22,23,24,1,18,17,19,14,13,26,9,5,3,27,4,15,16,20,25,7,10,21,8,28,6,12,11,2/E:(1,2,3)/rA:28COCCCNCNCCONCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21;s21;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-NNBNMPPAGAVHJJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784104,Nc1c(C(=O)c2ccc(F)cc2)oc2c1cc(Br)cn2,NNBNMPPAGAVHJJ,NNBNMPPAGAVHJJ-UHFFFAOYSA-N,"InChI=1S/C14H8BrFN2O2/c15-8-5-10-11(17)13(20-14(10)18-6-8)12(19)7-1-3-9(16)4-2-7/h1-6H,17H2","""AuxInfo=1/0/N:7,12,8,11,16,19,6,17,9,15,2,4,3,14,18,10,1,20,5,13/E:(1,2)(3,4)/rA:20NCCCOCCCCFCCOCCCCBrCN/rB:s1;d2;s3;d4;s4;d6;s7;d8;s9;s9;s6d11;s3;s13;s2d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786294,PMID:19443219,2009.0,PMID:19443219,2009,0,1,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-NNEXCBAJEXOYNG_on_O00591_WT,Low,ChEMBL30,CHEMBL432163,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2,NNEXCBAJEXOYNG,NNEXCBAJEXOYNG-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-8-12-13(17-7-16-12)11-9-2-3-15(19-4-5-20-15)6-10(9)21-14(11)18-8/h7H,2-6H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,13,14,8,20,2,6,7,5,18,17,4,9,19,21,3,12,15,16/E:(4,5)(19,20)/rA:21CCNCCCCCCCCOCCOSCCNCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NNEXCBAJEXOYNG_on_O14764_WT,Low,ChEMBL30,CHEMBL432163,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2,NNEXCBAJEXOYNG,NNEXCBAJEXOYNG-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-8-12-13(17-7-16-12)11-9-2-3-15(19-4-5-20-15)6-10(9)21-14(11)18-8/h7H,2-6H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,13,14,8,20,2,6,7,5,18,17,4,9,19,21,3,12,15,16/E:(4,5)(19,20)/rA:21CCNCCCCCCCCOCCOSCCNCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NNEXCBAJEXOYNG_on_P14867_WT,Low,ChEMBL30,CHEMBL432163,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2,NNEXCBAJEXOYNG,NNEXCBAJEXOYNG-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-8-12-13(17-7-16-12)11-9-2-3-15(19-4-5-20-15)6-10(9)21-14(11)18-8/h7H,2-6H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,13,14,8,20,2,6,7,5,18,17,4,9,19,21,3,12,15,16/E:(4,5)(19,20)/rA:21CCNCCCCCCCCOCCOSCCNCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NNEXCBAJEXOYNG_on_P18505_WT,Low,ChEMBL30,CHEMBL432163,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2,NNEXCBAJEXOYNG,NNEXCBAJEXOYNG-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-8-12-13(17-7-16-12)11-9-2-3-15(19-4-5-20-15)6-10(9)21-14(11)18-8/h7H,2-6H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,13,14,8,20,2,6,7,5,18,17,4,9,19,21,3,12,15,16/E:(4,5)(19,20)/rA:21CCNCCCCCCCCOCCOSCCNCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
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-NNEXCBAJEXOYNG_on_Q99928_WT,Low,ChEMBL30,CHEMBL432163,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2,NNEXCBAJEXOYNG,NNEXCBAJEXOYNG-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2S/c1-8-12-13(17-7-16-12)11-9-2-3-15(19-4-5-20-15)6-10(9)21-14(11)18-8/h7H,2-6H2,1H3,(H,16,17)","""AuxInfo=1/1/N:1,11,10,13,14,8,20,2,6,7,5,18,17,4,9,19,21,3,12,15,16/E:(4,5)(19,20)/rA:21CCNCCCCCCCCOCCOSCCNCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NNGCXJPRHBHODU_on_O15399_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_O60391_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_Q05586_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_Q12879_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_Q13224_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGCXJPRHBHODU_on_Q14957_WT,Low,ChEMBL30,CHEMBL28607,COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,NNGCXJPRHBHODU,NNGCXJPRHBHODU-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24COCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNGDRDBKEGGJQF_on_O15399_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-NNGDRDBKEGGJQF_on_O60391_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-NNGDRDBKEGGJQF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-NNGDRDBKEGGJQF_on_Q05586_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL1805121;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705;PMID:21453995;PMID:15225705,2004;2011;2004,1,0,0,0,0,,=,  8.700;  8.300;  8.300,8.433,0.18899999999999997,0.133,3.0,8.3,0.0
-NNGDRDBKEGGJQF_on_Q12879_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-NNGDRDBKEGGJQF_on_Q13224_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805121;CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:21453995;PMID:15225705;PMID:15225705,2011;2004;2004,1,0,0,0,0,,=,  8.300;  8.300;  8.700,8.433,0.18899999999999997,0.133,3.0,8.3,0.0
-NNGDRDBKEGGJQF_on_Q14957_WT,Low,ChEMBL30,CHEMBL363722,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,NNGDRDBKEGGJQF,NNGDRDBKEGGJQF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,11,16,1,15,10/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCONCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-NNHRCSJWUBQYQV_on_O00591_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.270;  7.960,7.615,0.345,0.345,2.0,7.615,0.345
-NNHRCSJWUBQYQV_on_O14764_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427532;CHEMBL3427523,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:28753313;PMID:25799373;PMID:25799373,2017;2015;2015,0;1;1,1;0;0,0,0,0,,=,  6.620;  7.960;  7.270,7.2829999999999995,0.547,0.387,3.0,7.27,0.65
-NNHRCSJWUBQYQV_on_P14867_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427532;CHEMBL3427523;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052;CHEMBL4040854,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2015;2015;2015;2015;2017,0;0;0;0;1;1;0,1;1;1;1;0;0;1,0,0,0,,=,  6.620;  6.900;  5.850;  6.230;  7.270;  7.960;  6.900,6.819,0.637,0.26,7.0,6.9,0.37
-NNHRCSJWUBQYQV_on_P18505_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427532;CHEMBL3427523;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.900;  6.620;  6.230;  5.850;  7.270;  7.960,6.805,0.688,0.307,6.0,6.76,0.52
-NNHRCSJWUBQYQV_on_P18507_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052;CHEMBL4040854;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373;PMID:28753313;PMID:25799373,2015;2017;2015,1;0;1,0;1;0,0,0,0,,=,  7.270;  6.900;  7.960,7.377000000000001,0.439,0.311,3.0,7.27,0.37
-NNHRCSJWUBQYQV_on_P28472_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532;CHEMBL3427532;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3427980;CHEMBL4040856;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313;PMID:25799373,2015;2015;2015;2015;2015;2017;2015,1;0;0;1;0;0;0,0;1;1;0;1;1;1,0,0,0,,=,  7.270;  5.850;  6.230;  7.960;  6.620;  6.620;  6.900,6.779,0.64,0.261,7.0,6.62,0.39
-NNHRCSJWUBQYQV_on_P31644_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532;CHEMBL3427523;CHEMBL3427532;CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.270;  7.960;  5.850;  6.620;  6.230;  6.900,6.805,0.688,0.307,6.0,6.76,0.52
-NNHRCSJWUBQYQV_on_P34903_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532;CHEMBL3427523,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.960;  7.270;  6.230;  6.620;  6.900;  5.850,6.805,0.688,0.307,6.0,6.76,0.52
-NNHRCSJWUBQYQV_on_P47869_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427523;CHEMBL3427532;CHEMBL3427523;CHEMBL3427532;CHEMBL3427523,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.900;  6.230;  6.620;  5.850;  7.960;  7.270,6.805,0.688,0.307,6.0,6.76,0.52
-NNHRCSJWUBQYQV_on_P47870_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052;CHEMBL4040854,PMID:25799373,2015.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:28753313,2015;2015;2015;2015;2015;2015;2017,0;0;0;0;1;1;0,1;1;1;1;0;0;1,0,0,0,,=,  5.850;  6.230;  6.620;  6.900;  7.270;  7.960;  6.900,6.819,0.637,0.26,7.0,6.9,0.37
-NNHRCSJWUBQYQV_on_P48169_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427532;CHEMBL3427523;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL4040856;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373;PMID:28753313;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373;PMID:25799373,2015;2017;2015;2015;2015;2015;2015,1;0;1;0;0;0;0,0;1;0;1;1;1;1,0,0,0,,=,  7.960;  6.620;  7.270;  6.230;  5.850;  6.900;  6.620,6.779,0.64,0.261,7.0,6.62,0.39
-NNHRCSJWUBQYQV_on_P78334_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.270;  7.960,7.615,0.345,0.345,2.0,7.615,0.345
-NNHRCSJWUBQYQV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427523,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960;  7.270,7.615,0.345,0.345,2.0,7.615,0.345
-NNHRCSJWUBQYQV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427532;CHEMBL3427523,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.960;  7.270,7.615,0.345,0.345,2.0,7.615,0.345
-NNHRCSJWUBQYQV_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532;CHEMBL3427532;CHEMBL3427523;CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;1;0;0;0,0;1;0;1;1;1,0,0,0,,=,  7.270;  6.900;  7.960;  6.230;  5.850;  6.620,6.805,0.688,0.307,6.0,6.76,0.52
-NNHRCSJWUBQYQV_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427523;CHEMBL3427532,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1,NNHRCSJWUBQYQV,NNHRCSJWUBQYQV-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,22,23,28,19,7,6,11,10,27,16,17,2,14,21,24,20,18,3/E:(11,12)(24,25)/rA:28CCOCCCCCCCCCCCCCCOCNNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.270;  7.960,7.615,0.345,0.345,2.0,7.615,0.345
-NNJSEFPZMRLEPI_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2179309;57459636,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,NNJSEFPZMRLEPI,NNJSEFPZMRLEPI-UHFFFAOYSA-N,"InChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2","""AuxInfo=1/0/N:12,11,13,10,14,23,24,7,15,17,6,16,18,21,2,22,9,8,3,4,20,27,1,25,26,5,19/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:27NCCCNCCCCCCCCCCCCCNCCCCCNNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s22s23;d20;s25;s3s19d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482;PubChemAID:711294,PMID:23072213,2012.0,PMID:23072213;PubChemAID:711294,2012;2013,0,1;0,0,0,0;1,,=,  7.130;  7.131,7.13,0.001,0.001,2.0,7.13,0.001
-NNMJXPKTSRZATE_on_P41594_WT,High,ChEMBL30,CHEMBL3122223,CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,NNMJXPKTSRZATE,NNMJXPKTSRZATE-UHFFFAOYSA-N,"InChI=1S/C19H23N5O2/c1-5-24(6-2)19(25)17-15-10-11-16(21-18(15)23(4)22-17)26-12-14-9-7-8-13(3)20-14/h7-11H,5-6,12H2,1-4H3","""AuxInfo=1/0/N:1,5,24,11,2,4,21,22,20,14,15,18,23,19,13,16,8,12,6,25,26,9,10,3,7,17/E:(1,2)(5,6)/rA:26CCNCCCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-NNMJXPKTSRZATE_on_Q13255_WT,High,ChEMBL30,CHEMBL3122223,CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,NNMJXPKTSRZATE,NNMJXPKTSRZATE-UHFFFAOYSA-N,"InChI=1S/C19H23N5O2/c1-5-24(6-2)19(25)17-15-10-11-16(21-18(15)23(4)22-17)26-12-14-9-7-8-13(3)20-14/h7-11H,5-6,12H2,1-4H3","""AuxInfo=1/0/N:1,5,24,11,2,4,21,22,20,14,15,18,23,19,13,16,8,12,6,25,26,9,10,3,7,17/E:(1,2)(5,6)/rA:26CCNCCCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,=,  4.850,4.85,0.0,0.0,1.0,4.85,0.0
-NNNJVJVIKPMCSU_on_P41594_WT,Low,ChEMBL30,CHEMBL596440,CC1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)nc2)C1,NNNJVJVIKPMCSU,NNNJVJVIKPMCSU-UHFFFAOYSA-N,"InChI=1S/C18H19ClN2O2/c1-13-3-2-10-21(12-13)18(22)14-4-9-17(20-11-14)23-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3","""AuxInfo=1/0/N:1,4,3,10,16,19,15,20,11,5,22,23,2,9,17,14,12,7,18,21,6,8,13/E:(5,6)(7,8)/rA:23CCCCCNCOCCCCOCCCCClCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s9d21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNPUXWURRMJAOE_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL204354;44409818,COCC(=O)N(C)c1cc(OCc2cccc(Cl)c2)cc(C)c1,NNPUXWURRMJAOE,NNPUXWURRMJAOE-UHFFFAOYSA-N,"InChI=1S/C18H20ClNO3/c1-13-7-16(20(2)18(21)12-22-3)10-17(8-13)23-11-14-5-4-6-15(19)9-14/h4-10H,11-12H2,1-3H3","""AuxInfo=1/0/N:22,7,1,15,14,16,23,20,19,9,12,3,21,13,17,8,10,4,18,6,5,2,11/rA:23COCCONCCCCOCCCCCCClCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;d8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;d10;s20;s21;s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880;PubChemAID:263351,PMID:16439120,2006.0,PMID:16439120;PubChemAID:263351,2006;2010,0,0,0,1;0,0;1,,=,  7.160;  7.155,7.1579999999999995,0.003,0.003,2.0,7.1579999999999995,0.002
-NNQKAZSLDGWVGR_on_P41594_WT,Low,ChEMBL30,CHEMBL204289,O=C(NC1=NC(=O)C2CCCN12)Nc1ccc(Cl)cc1,NNQKAZSLDGWVGR,NNQKAZSLDGWVGR-UHFFFAOYSA-N,"InChI=1S/C13H13ClN4O2/c14-8-3-5-9(6-4-8)15-13(20)17-12-16-11(19)10-2-1-7-18(10)12/h3-6,10H,1-2,7H2,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:10,9,16,19,15,20,11,17,14,8,6,4,2,18,13,5,3,12,7,1/E:(3,4)(5,6)/rA:20OCNCNCOCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s6;s8;s9;s10;s4s8s11;s2;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NNRGYSYUKDMSDT_on_P41594_WT,High,ChEMBL30,CHEMBL596439,CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)cc2)C1,NNRGYSYUKDMSDT,NNRGYSYUKDMSDT-UHFFFAOYSA-N,"InChI=1S/C19H21ClN2O/c1-14-3-2-12-22(13-14)19(23)15-4-8-17(9-5-15)21-18-10-6-16(20)7-11-18/h4-11,14,21H,2-3,12-13H2,1H3","""AuxInfo=1/0/N:1,4,3,10,22,16,19,11,21,15,20,5,23,2,9,17,12,14,7,18,13,6,8/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCCCCNCOCCCCNCCCCClCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s9d21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-NNSHHXIXGTWGBU_on_Q05586_WT,High,ChEMBL30,CHEMBL429296,Cc1c(Cl)c(N(CCO)S(C)(=O)=O)c2nc(O)c(O)nc2c1,NNSHHXIXGTWGBU,NNSHHXIXGTWGBU-UHFFFAOYSA-N,"InChI=1S/C12H14ClN3O5S/c1-6-5-7-9(15-12(19)11(18)14-7)10(8(6)13)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)","""AuxInfo=1/1/N:1,11,7,8,22,2,21,3,14,5,18,16,4,20,15,6,9,19,17,12,13,10/E:(20,21)/CRV:22.6/rA:22CCCClCNCCOSCOOCNCOCONCC/rB:s1;d2;s3;s3;s5;s6;s7;s8;s6;s10;d10;d10;d5;s14;d15;s16;s16;s18;d18;s14s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-NNTPVJXBORPEGC_on_Q14833_WT,High,ChEMBL30,CHEMBL3809990,O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1,NNTPVJXBORPEGC,NNTPVJXBORPEGC-UHFFFAOYSA-N,"InChI=1S/C16H11ClFN3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)","""AuxInfo=1/1/N:23,24,22,13,14,25,17,6,11,12,15,18,21,7,2,4,16,19,26,5,3,1,9,10,20,8/E:(23,24)/CRV:26.6/rA:26OCNCNCCSOOCCCCCClCCFSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s15;s12d17;s18;s4s7;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  7.080;  7.080,7.08,0.0,0.0,2.0,7.08,0.0
-NNUSSUPIQZLYJW_on_P41594_WT,Medium,ChEMBL30,CHEMBL187107,N#Cc1cc(-n2nnc(-c3ncccc3)n2)cc(F)c1,NNUSSUPIQZLYJW,NNUSSUPIQZLYJW-UHFFFAOYSA-N,InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H,"""AuxInfo=1/0/N:14,13,15,12,20,4,17,2,3,18,5,10,9,19,1,11,8,16,7,6/rA:20NCCCCNNNCCNCCCCNCCFC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s6d9;d5;s17;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15341479,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-NODYQEOCEWHVKQ_on_O15399_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_O60391_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NODYQEOCEWHVKQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL1196725,O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1,NODYQEOCEWHVKQ,NODYQEOCEWHVKQ-UHFFFAOYSA-N,"InChI=1S/C14H13N4O8P/c19-12-13(20)17-11-9(4-7(18(21)22)5-10(11)16-12)14(27(23,24)25)15-6-8-2-1-3-26-8/h1-5,14-15H,6H2,(H,16,19)(H,17,20)(H2,23,24,25)","""AuxInfo=1/1/N:12,11,13,5,27,9,4,10,6,26,19,23,21,7,8,25,20,2,24,22,1,3,16,17,18,14,15/E:(21,22)(23,24,25)/CRV:18.5/rA:27ON+O-CCCCNCCCCCOPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s7;d15;s15;s15;d6;s19;d20;s21;s21;s23;d23;s19s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NOEORQGYSWQLPL_on_Q14416_WT,High,ChEMBL30,CHEMBL2029802,CC(C)CCn1ccc(-c2cc(Cl)c(NC3CCOCC3)cc2)c(C#N)c1=O,NOEORQGYSWQLPL,NOEORQGYSWQLPL-UHFFFAOYSA-N,"InChI=1S/C22H26ClN3O2/c1-15(2)5-9-26-10-6-18(19(14-24)22(26)27)16-3-4-21(20(23)13-16)25-17-7-11-28-12-8-17/h3-4,6,10,13,15,17,25H,5,7-9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,23,22,4,8,17,21,5,7,18,20,11,25,2,10,16,9,24,12,14,27,13,26,15,6,28,19/E:(1,2)(7,8)(11,12)/rA:28CCCCCNCCCCCCClCNCCCOCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s16;s17;s18;s19;s16s20;s14;s10d22;d9;s24;t25;s6s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-NOGSHZYZDAVDAV_on_P41594_WT,Low,ChEMBL30,CHEMBL1784049,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,NOGSHZYZDAVDAV,NOGSHZYZDAVDAV-UHFFFAOYSA-N,"InChI=1S/C18H11BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCBrCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NOGSHZYZDAVDAV_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,23634249;CHEMBL1784049,C#CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1,NOGSHZYZDAVDAV,NOGSHZYZDAVDAV-UHFFFAOYSA-N,"InChI=1S/C18H11BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,6,3,7,24,20,17,5,10,11,12,9,14,21,4,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCCCNCCCCSCONCCCCBrCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.745;  8.740,8.742,0.002,0.002,2.0,8.742,0.002
-NOHQUOGZZBIOMG_on_P31644_WT,High,ChEMBL30,CHEMBL3681579,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccc(F)cn2)no1,NOHQUOGZZBIOMG,NOHQUOGZZBIOMG-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,8,23,22,7,13,17,14,16,18,26,4,2,9,24,3,21,6,20,10,25,27,19,28,12,11,15,5,29/E:(6,7)(8,9)/rA:29CCCCOCCCCCONCCOCCCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-NOJDWMFLLITOEF_on_P14867_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-NOJDWMFLLITOEF_on_P18507_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800;  6.600;  6.890;  7.280,7.142,0.45,0.26,4.0,7.085,0.34
-NOJDWMFLLITOEF_on_P28472_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL678745;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.280;  7.800;  6.890;  6.600,7.143,0.45,0.26,4.0,7.085,0.34
-NOJDWMFLLITOEF_on_P31644_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-NOJDWMFLLITOEF_on_P34903_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NOJDWMFLLITOEF_on_P47869_WT,Low,ChEMBL30,CHEMBL299736,CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,NOJDWMFLLITOEF,NOJDWMFLLITOEF-UHFFFAOYSA-N,"InChI=1S/C17H15N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-NOMGKGZJPSIDLO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3925795,COC1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C,NOMGKGZJPSIDLO,NOMGKGZJPSIDLO-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O2/c1-19(2)12-23(18(24)17(19)25-3)16-7-6-13(10-22-16)4-5-14-8-15(20)11-21-9-14/h6-11,17H,12H2,1-3H3","""AuxInfo=1/0/N:24,25,1,11,12,9,8,19,14,20,16,22,10,13,17,7,3,4,23,18,15,21,6,5,2/E:(1,2)/rA:25COCCONCCCCCCCCNCCClCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-NOYOSCATYPPFNA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71657125;CHEMBL2431427,Cc1nc2c(CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C2)o1,NOYOSCATYPPFNA,NOYOSCATYPPFNA-UHFFFAOYSA-N,"InChI=1S/C25H23FN4O2/c1-16-12-19(8-9-20(16)26)21-13-30(25(28-21)18-6-4-3-5-7-18)15-24(31)29-11-10-23-22(14-29)27-17(2)32-23/h3-9,12-13H,10-11,14-15H2,1-2H3","""AuxInfo=1/0/N:21,1,28,27,29,26,30,16,17,6,7,22,13,31,11,20,2,25,15,18,14,4,5,9,24,19,3,23,8,12,10,32/E:(4,5)(6,7)/rA:32CCNCCCCNCOCNCCCCCCFCCCNCCCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s16;d17;s18;s18;s20;s15d20;s14;s12d23;s24;d25;s26;d27;s28;s25d29;s4s8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:772427;CHEMBL2433294,PMID:24900753,2013.0,PubChemAID:772427;PMID:24900753,2014;2013,0,0;1,0,0,1;0,,=,  7.215;  7.210,7.212999999999999,0.003,0.003,2.0,7.212999999999999,0.002
-NPBFSLFGBCAWAF_on_P14867_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-NPBFSLFGBCAWAF_on_P18507_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273618;CHEMBL1273619;CHEMBL1273616;CHEMBL1273615;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.990;  5.700;  6.680;  6.960;  9.010;  5.700,6.84,1.1079999999999999,0.496,6.0,6.82,0.645
-NPBFSLFGBCAWAF_on_P28472_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273619;CHEMBL1273617;CHEMBL1273620;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  9.010;  6.960;  6.680;  6.990;  5.700;  5.700,6.84,1.1079999999999999,0.496,6.0,6.82,0.645
-NPBFSLFGBCAWAF_on_P31644_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-NPBFSLFGBCAWAF_on_P34903_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-NPBFSLFGBCAWAF_on_P47869_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-NPBFSLFGBCAWAF_on_P48169_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NPBFSLFGBCAWAF_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270038,C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1,NPBFSLFGBCAWAF,NPBFSLFGBCAWAF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3","""AuxInfo=1/0/N:1,16,17,18,2,4,5,22,10,20,3,21,9,6,11,8,12,15,19,7,13,14/E:(2,3,4)/rA:22CCCCCCNCCCCCOOCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s15;s11;s8d19;s6s9;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NPCQVVAZJQCKDZ_on_P41594_WT,High,ChEMBL30,CHEMBL4072424,O=c1cc(OCCC2CC2)nc2COCC(Cc3ccccc3)n21,NPCQVVAZJQCKDZ,NPCQVVAZJQCKDZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O3/c22-19-11-18(24-9-8-14-6-7-14)20-17-13-23-12-16(21(17)19)10-15-4-2-1-3-5-15/h1-5,11,14,16H,6-10,12-13H2","""AuxInfo=1/0/N:21,20,22,19,23,9,10,7,6,17,3,15,13,8,18,16,12,4,2,11,24,1,14,5/E:(2,3)(4,5)(6,7)/rA:24OCCCOCCCCCNCCOCCCCCCCCCN/rB:d1;s2;d3;s4;s5;s6;s7;s8;s8s9;s4;d11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s2s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-NPDRLZZMBVMRBB_on_O15399_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_O60391_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPDRLZZMBVMRBB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192378,N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3,NPDRLZZMBVMRBB,NPDRLZZMBVMRBB-UHFFFAOYSA-N,"InChI=1S/C25H29N3/c26-25(28-24-21-13-18-12-19(15-21)16-22(24)14-18)27-23-9-5-4-8-20(23)11-10-17-6-2-1-3-7-17/h1-11,18-19,21-22,24H,12-16H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,23,21,28,25,26,12,22,24,9,20,27,4,19,2,1,3,18/E:(2,3)(6,7)(13,14,15,16)(18,19)(21,22)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s24;s19s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NPFKLNZJQFUMPY_on_Q05586_WT,Low,ChEMBL30,CHEMBL65231,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2,NPFKLNZJQFUMPY,NPFKLNZJQFUMPY-UHFFFAOYSA-N,"InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,6,13,22,12,23,15,3,10,16,14,2,5,4,9,8,24,11,1/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCCCCCNCCNCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11s22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1805126;CHEMBL1803134;CHEMBL715186;CHEMBL752567;CHEMBL1274597,PMID:15056006,2004.0,PMID:21453995;PMID:21453995;PMID:15056006;PMID:15056006;PMID:20875744,2011;2011;2004;2004;2010,1;1;1;0;0,0,0,0;0;0;1;1,0,,=,  6.680;  8.090;  8.090;  8.820;  8.820,8.1,0.7809999999999999,0.391,5.0,8.09,0.73
-NPFKLNZJQFUMPY_on_Q13224_WT,Low,ChEMBL30,CHEMBL65231,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2,NPFKLNZJQFUMPY,NPFKLNZJQFUMPY-UHFFFAOYSA-N,"InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,6,13,22,12,23,15,3,10,16,14,2,5,4,9,8,24,11,1/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCCCCCNCCNCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s11s22;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL1803134;CHEMBL1274597;CHEMBL752567;CHEMBL1805126,PMID:15056006,2004.0,PMID:15056006;PMID:21453995;PMID:20875744;PMID:15056006;PMID:21453995,2004;2011;2010;2004;2011,1;1;0;0;1,0,0,0;0;1;1;0,0,,=,  8.090;  8.090;  8.820;  8.820;  6.680,8.1,0.7809999999999999,0.391,5.0,8.09,0.73
-NPHDXXRKYHPQLD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,3156022;CHEMBL2164558,Cc1cc(-c2nc(-c3ccccn3)no2)ccc1,NPHDXXRKYHPQLD,NPHDXXRKYHPQLD-UHFFFAOYSA-N,"InChI=1S/C14H11N3O/c1-10-5-4-6-11(9-10)14-16-13(17-18-14)12-7-2-3-8-15-12/h2-9H,1H3","""AuxInfo=1/0/N:1,10,11,17,18,16,9,12,3,2,4,8,7,5,13,6,14,15/rA:18CCCCCNCCCCCCNNOCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:697343;CHEMBL2166999,PMID:23046966,2012.0,PubChemAID:697343;PMID:23046966,2013;2012,0;1,0,0,0,1;0,,=,  6.354;  6.350,6.352,0.002,0.002,2.0,6.352,0.002
-NPMPSLSQLVNXQT_on_P14867_WT,Low,ChEMBL30,CHEMBL204142,FC(F)(F)c1nc2ncc(-c3nccc(Cl)c3)n2cc1,NPMPSLSQLVNXQT,NPMPSLSQLVNXQT-UHFFFAOYSA-N,"InChI=1S/C12H6ClF3N4/c13-7-1-3-17-8(5-7)9-6-18-11-19-10(12(14,15)16)2-4-20(9)11/h1-6H","""AuxInfo=1/0/N:14,20,13,19,17,9,15,11,10,5,7,2,16,1,3,4,12,8,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCCCClCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s15;s11d15;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-NPMPSLSQLVNXQT_on_P34903_WT,Low,ChEMBL30,CHEMBL204142,FC(F)(F)c1nc2ncc(-c3nccc(Cl)c3)n2cc1,NPMPSLSQLVNXQT,NPMPSLSQLVNXQT-UHFFFAOYSA-N,"InChI=1S/C12H6ClF3N4/c13-7-1-3-17-8(5-7)9-6-18-11-19-10(12(14,15)16)2-4-20(9)11/h1-6H","""AuxInfo=1/0/N:14,20,13,19,17,9,15,11,10,5,7,2,16,1,3,4,12,8,6,18/E:(14,15,16)/rA:20FCFFCNCNCCCNCCCClCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s15;s11d15;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-NPOBWKADZAGENT_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL178741;11209923,COC1CCC(C(=O)c2ccc3nc4CCCCCc4cc3c2)CC1,NPOBWKADZAGENT,NPOBWKADZAGENT-UHFFFAOYSA-N,"InChI=1S/C22H27NO2/c1-25-19-10-7-15(8-11-19)22(24)17-9-12-21-18(14-17)13-16-5-3-2-4-6-20(16)23-21/h9,12-15,19H,2-8,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,19,15,5,24,10,4,25,11,21,23,6,20,9,22,3,14,12,7,13,8,2/E:(7,8)(10,11)/rA:25COCCCCCOCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s15;s16;s17;s18;s14s19;d20;s12s21;s9d22;s6;s3s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-NPRJTKMKUYJGAL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2431211;53252525,CC(C)(C)c1nnc2CC(c3nc(-c4ccc(F)cc4)no3)CCn21,NPRJTKMKUYJGAL,NPRJTKMKUYJGAL-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,20,16,19,23,24,9,14,10,17,8,13,11,5,2,18,12,7,6,21,25,22/E:(1,2,3)(4,5)(6,7)/rA:25CCCCCNNCCCCNCCCCCFCCNOCCN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s11s21;s10;s23;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433924;PubChemAID:773852,PMID:24050755,2013.0,PMID:24050755;PubChemAID:773852,2013;2014,0,1;0,0,0,0;1,,=,  7.280;  7.284,7.282,0.002,0.002,2.0,7.282,0.002
-NPTPNUWKWMYFLS_on_O00591_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_O14764_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P14867_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P18505_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P18507_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P28472_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P31644_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P34903_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P47869_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P47870_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P48169_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_P78334_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_Q16445_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPTPNUWKWMYFLS_on_Q99928_WT,Low,ChEMBL30,CHEMBL90790,CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC,NPTPNUWKWMYFLS,NPTPNUWKWMYFLS-UHFFFAOYSA-N,"InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3","""AuxInfo=1/0/N:1,28,19,20,21,2,27,8,7,9,11,25,12,24,6,16,22,10,13,17,14,18,5,3,26,4,15,23/E:(1,2)(3,4,5)(6,7)(11,12)(13,14)(16,17)(24,25)(27,28)/rA:28CCOPOCCCCCCCCCSCCCCCCCSCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s13;s10d24;s4;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-NPUKDXXFDDZOKR_on_P14867_WT,High,ChEMBL30,CHEMBL681,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR,NPUKDXXFDDZOKR-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,16,15,17,14,18,7,9,11,13,6,4,8,10,5,3/E:(5,6)(7,8)/rA:18CCOCOCCNCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1003193,PMID:12646036,2003.0,PMID:17311911,2007,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-NPUKDXXFDDZOKR_on_P18507_WT,Low,ChEMBL30,CHEMBL681;CHEMBL279678;CHEMBL681;CHEMBL681;CHEMBL681;CHEMBL279678;CHEMBL681,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR,NPUKDXXFDDZOKR-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,16,15,17,14,18,7,9,11,13,6,4,8,10,5,3/E:(5,6)(7,8)/rA:18CCOCOCCNCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678630;CHEMBL678630;CHEMBL831818;CHEMBL838371;CHEMBL838372;CHEMBL838372;CHEMBL685376,PMID:12646036,2003.0,PMID:12646036;PMID:12646036;PMID:15801854;PMID:12646036;PMID:12646036;PMID:12646036;PMID:12646036,2003;2003;2005;2003;2003;2003;2003,1;1;0;0;0;0;0,0;0;1;1;1;1;1,0,0,0,,=,  3.239;  3.530;  5.460;  5.920;  5.600;  4.330;  4.190,4.61,0.98,0.4,7.0,4.33,1.091
-NPUKDXXFDDZOKR_on_P47869_WT,Low,ChEMBL30,CHEMBL681,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR,NPUKDXXFDDZOKR-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,16,15,17,14,18,7,9,11,13,6,4,8,10,5,3/E:(5,6)(7,8)/rA:18CCOCOCCNCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-NPUKDXXFDDZOKR_on_P47870_WT,Low,ChEMBL30,CHEMBL681;CHEMBL681;CHEMBL279678;CHEMBL681;CHEMBL681;CHEMBL681;CHEMBL279678,CCOC(=O)c1cncn1C(C)c1ccccc1,NPUKDXXFDDZOKR,NPUKDXXFDDZOKR-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,16,15,17,14,18,7,9,11,13,6,4,8,10,5,3/E:(5,6)(7,8)/rA:18CCOCOCCNCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL838372;CHEMBL831818;CHEMBL838372;CHEMBL838371;CHEMBL685376;CHEMBL678630;CHEMBL678630,PMID:12646036,2003.0,PMID:12646036;PMID:15801854;PMID:12646036;PMID:12646036;PMID:12646036;PMID:12646036;PMID:12646036,2003;2005;2003;2003;2003;2003;2003,0;0;0;0;0;1;1,1;1;1;1;1;0;0,0,0,0,,=,  5.600;  5.460;  4.330;  5.920;  4.190;  3.239;  3.530,4.61,0.98,0.4,7.0,4.33,1.091
-NPWSGCCVHIYDTM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912631,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(N)CC3)cc2n1,NPWSGCCVHIYDTM,NPWSGCCVHIYDTM-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O/c23-16-4-2-15(3-5-16)19-12-21(22(25)28)26-20-11-14(1-6-18(19)20)13-27-9-7-17(24)8-10-27/h1-6,11-12,17H,7-10,13,24H2,(H2,25,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,24,20,25,26,5,18,17,7,10,22,14,6,27,4,2,11,23,1,28,19,3/E:(2,3)(4,5)(7,8)(9,10)/rA:28NCOCCCCCCCFCCCCCCCNCCCNCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s19s24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-NPWXHVJMCNCZDA_on_Q14833_WT,High,ChEMBL30,CHEMBL3798239,Cc1ncc(Oc2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)cn1,NPWXHVJMCNCZDA,NPWXHVJMCNCZDA-UHFFFAOYSA-N,"InChI=1S/C17H14ClN5O2/c1-10-21-8-12(9-22-10)25-15-5-4-11(7-13(15)18)23-17(24)16-14(19)3-2-6-20-16/h2-9H,19H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,19,18,22,23,20,10,4,24,2,11,5,8,16,7,15,13,9,17,21,3,25,12,14,6/E:(8,9)(21,22)/rA:25CCNCCOCCClCCNCOCCNCCCNCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;s16;d18;s19;s15d20;s11;s7d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  8.870;  5.870,7.37,1.5,1.5,2.0,7.37,1.5
-NPYGILVUMMFLLC_on_Q14416_WT,High,ChEMBL30,CHEMBL1669386,CCCn1ccc2c(c(Cl)cc(OCCc3cnccc3)c2)c1=O,NPYGILVUMMFLLC,NPYGILVUMMFLLC-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O2/c1-2-8-22-9-5-15-11-16(12-17(20)18(15)19(22)23)24-10-6-14-4-3-7-21-13-14/h3-5,7,9,11-13H,2,6,8,10H2,1H3","""AuxInfo=1/0/N:1,2,20,21,6,15,19,3,5,14,22,11,17,16,7,12,9,8,23,10,18,4,24,13/rA:24CCCNCCCCCClCCOCCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s7d12;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-NPZNLNHYQDJUBM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453350;CHEMBL404238,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccccc2)n1,NPZNLNHYQDJUBM,NPZNLNHYQDJUBM-UHFFFAOYSA-N,"InChI=1S/C17H11F3N2/c1-12-10-22-11-14(17(18,19)20)9-16(22)15(21-12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,15,14,11,3,5,2,16,6,13,12,7,8,9,10,22,4/E:(3,4)(5,6)(18,19,20)/rA:22CCCNCCCFFFCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-NQCVQKPFAOKLIT_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,57459481;CHEMBL2179315,CCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12,NQCVQKPFAOKLIT,NQCVQKPFAOKLIT-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4/c1-2-17-21-22-19-18(20)16(10-13-24(17)19)23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,12,20,22,11,21,23,14,13,9,3,7,6,8,4,5,10,24/E:(4,5)(6,7)(8,9)(11,12)/rA:24CCCNNCCClCNCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;s10s20;s9;d22;s3s6s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482,PMID:23072213,2012.0,PubChemAID:711294;PMID:23072213,2013;2012,0,0;1,0,0,1;0,,=,  6.413;  6.410,6.412000000000001,0.002,0.002,2.0,6.412000000000001,0.002
-NQDDUQJHRCBRRA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954993,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1,NQDDUQJHRCBRRA,NQDDUQJHRCBRRA-UHFFFAOYSA-N,"InChI=1S/C20H15FN4O/c21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h1-10,12H,11H2,(H2,22,26)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,24,5,18,23,17,7,10,14,6,25,4,2,11,1,22,26,19,3/E:(2,3)(4,5)/rA:26NCOCCCCCCCFCCCCCCCNCCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;s19d22;d17;s14s24;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-NQDVPJBFJIXQOL_on_P41594_WT,High,ChEMBL30,CHEMBL3597604,Cc1nc(C#CC=C2CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)ccc1,NQDVPJBFJIXQOL,NQDVPJBFJIXQOL-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-15-6-3-9-18(21-15)10-4-7-17-8-5-13-23(14-17)20-19(24(25)26)12-11-16(2)22-20/h3,6-7,9,11-12H,5,8,13-14H2,1-2H3","""AuxInfo=1/0/N:1,16,25,6,10,26,7,9,24,5,17,18,11,23,2,15,8,4,19,13,3,14,12,20,21,22/E:(25,26)/CRV:24.5/rA:26CCNCCCCCCCCNCNCCCCCN+OO-CCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;d20;s20;s8s12;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-NQFQEBQBZXSXIX_on_O00591_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_O14764_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P14867_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P18505_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P18507_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P28472_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P31644_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P34903_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P47869_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P47870_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P48169_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_P78334_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_Q16445_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.400;  6.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFQEBQBZXSXIX_on_Q99928_WT,Low,ChEMBL30,CHEMBL184570,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1,NQFQEBQBZXSXIX,NQFQEBQBZXSXIX-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F6N3S/c1-30-16-13(8-2-4-9(5-3-8)17(21,22)23)15(27)29(28-16)14-11(19)6-10(7-12(14)20)18(24,25)26/h2-7H,27H2,1H3","""AuxInfo=1/0/N:1,22,30,23,29,9,15,21,24,10,7,16,20,6,18,3,25,11,8,17,26,27,28,12,13,14,19,4,5,2/E:(2,3)(4,5)(6,7)(11,12)(19,20)(21,22,23)(24,25,26)/rA:30CSCNNCCClCCCFFFCCClCNCCCCCCFFFCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s25;s25;s25;s24;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  5.400,5.9,0.5,0.5,2.0,5.9,0.5
-NQFSFWAXPXDHSQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL4280186,c1ccc(CCCNC2CCc3c(CC2)nccc3)cc1,NQFSFWAXPXDHSQ,NQFSFWAXPXDHSQ-UHFFFAOYSA-N,"InChI=1S/C19H24N2/c1-2-6-16(7-3-1)8-4-14-20-18-11-10-17-9-5-15-21-19(17)13-12-18/h1-3,5-7,9,15,18,20H,4,8,10-14H2","""AuxInfo=1/0/N:1,2,21,6,18,3,20,5,19,11,10,15,14,7,17,4,12,9,13,8,16/E:(2,3)(6,7)/rA:21CCCCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;s9s14;s13;d16;s17;s12d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-NQFSFWAXPXDHSQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL4280186,c1ccc(CCCNC2CCc3c(CC2)nccc3)cc1,NQFSFWAXPXDHSQ,NQFSFWAXPXDHSQ-UHFFFAOYSA-N,"InChI=1S/C19H24N2/c1-2-6-16(7-3-1)8-4-14-20-18-11-10-17-9-5-15-21-19(17)13-12-18/h1-3,5-7,9,15,18,20H,4,8,10-14H2","""AuxInfo=1/0/N:1,2,21,6,18,3,20,5,19,11,10,15,14,7,17,4,12,9,13,8,16/E:(2,3)(6,7)/rA:21CCCCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;s9s14;s13;d16;s17;s12d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-NQGOHUUDEWWZFT_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258571,NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,NQGOHUUDEWWZFT,NQGOHUUDEWWZFT-UHFFFAOYSA-N,"InChI=1S/C16H18F3N5O2S/c17-16(18,19)13-8(5-20)6-24(23-13)7-11(25)22-15-12(14(21)26)9-3-1-2-4-10(9)27-15/h6H,1-5,7,20H2,(H2,21,26)(H,22,25)","""AuxInfo=1/1/N:19,18,20,17,2,4,6,3,15,16,7,11,23,12,10,24,25,26,27,1,13,9,22,5,8,14,21/E:(17,18,19)/rA:27NCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;d10;s11;s12;d12;s11;d15;s16;s17;s18;s15s19;s10s16;s5;s3d22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-NQKMBLMIHNVIMC_on_P41594_WT,Low,ChEMBL30,CHEMBL402328,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cncn2C)n1,NQKMBLMIHNVIMC,NQKMBLMIHNVIMC-UHFFFAOYSA-N,"InChI=1S/C15H11F3N4/c1-10-7-22-8-11(15(16,17)18)5-14(22)13(20-10)4-3-12-6-19-9-21(12)2/h5-9H,1-2H3","""AuxInfo=1/0/N:1,21,15,14,11,17,3,5,19,2,6,16,13,12,7,8,9,10,18,22,20,4/E:(16,17,18)/rA:22CCCNCCCFFFCCCCCCCNCNCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s16s19;s20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-NQNAPHMOEHXZOB_on_P41594_WT,High,ChEMBL30,CHEMBL1779876,COc1cc(C#Cc2ccc3C(=O)N(C4CCCC4)CCc3n2)ccc1,NQNAPHMOEHXZOB,NQNAPHMOEHXZOB-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2/c1-26-19-8-4-5-16(15-19)9-10-17-11-12-20-21(23-17)13-14-24(22(20)25)18-6-2-3-7-18/h4-5,8,11-12,15,18H,2-3,6-7,13-14H2,1H3","""AuxInfo=1/0/N:1,17,18,25,24,16,19,26,6,7,9,10,21,20,4,5,8,15,3,11,22,12,23,14,13,2/E:(2,3)(6,7)/rA:26COCCCCCCCCCCONCCCCCCCCNCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s17;s15s18;s14;s20;s11s21;s8d22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-NQQRJWYILLJTRM_on_P41594_WT,Low,ChEMBL30,CHEMBL3975731,Cc1cccnc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1,NQQRJWYILLJTRM,NQQRJWYILLJTRM-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-14-4-3-7-22-19(14)20(26)24-8-9-25-17(12-24)11-16(23-25)13-27-18-6-2-5-15(21)10-18/h2-7,10-11H,8-9,12-13H2,1H3","""AuxInfo=1/0/N:1,20,4,3,21,19,5,11,12,24,25,27,16,2,22,15,26,18,7,8,23,6,14,10,13,9,17/rA:27CCCCCNCCONCCNNCCOCCCCCFCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s18d22;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NQSKQOBQOSSMQQ_on_P41594_WT,High,ChEMBL30,CHEMBL1682819,O=C1CCOc2c1ccc(OCc1ccc(F)cc1)c2,NQSKQOBQOSSMQQ,NQSKQOBQOSSMQQ-UHFFFAOYSA-N,"InChI=1S/C16H13FO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-14-15(18)7-8-19-16(14)9-13/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:14,19,15,18,9,8,3,4,20,12,13,16,10,7,2,6,17,1,5,11/E:(1,2)(3,4)/rA:20OCCCOCCCCCOCCCCCFCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.110;  6.110,6.11,0.0,0.0,2.0,6.11,0.0
-NRAQZZMWTWPSPY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408576;57389235,CC1CCC(Nc2nc3c(cn2)C(=O)CC(C)C3)CC1,NRAQZZMWTWPSPY,NRAQZZMWTWPSPY-UHFFFAOYSA-N,"InChI=1S/C16H23N3O/c1-10-3-5-12(6-4-10)18-16-17-9-13-14(19-16)7-11(2)8-15(13)20/h9-12H,3-8H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,17,3,20,4,19,18,15,11,2,16,5,10,9,13,7,12,6,8,14/E:(3,4)(5,6)/rA:20CCCCCNCNCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s16;s9s16;s5;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  5.950;  5.947,5.949,0.002,0.002,2.0,5.949,0.002
-NRBNGHCYDWUVLC_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL292065;CHEMBL292065;CHEMBL292065;CHEMBL292065;CHEMBL292065;9794218;CHEMBL292065,Cc1nc(C#Cc2cccnc2)cs1,NRBNGHCYDWUVLC,NRBNGHCYDWUVLC-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3","""AuxInfo=1/0/N:1,9,8,6,5,10,12,13,2,7,4,11,3,14/rA:14CCNCCCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4413470;CHEMBL828680;CHEMBL4413473;CHEMBL864050;CHEMBL864285;PubChemAID:242780;CHEMBL2350953,PMID:12565928,2003.0,PMID:30624919;PMID:15686941;PMID:30624919;PMID:16451073;PMID:16839764;PubChemAID:242780;PMID:23434029,2019;2005;2019;2006;2006;2010;2013,0;1;1;1;1;0;1,0,0,1;0;0;0;0;0;0,0;0;0;0;0;1;0,,=,  7.490;  8.300;  7.330;  6.330;  7.110;  8.301;  7.920,7.54,0.654,0.267,7.0,7.49,0.43
-NRBNGHCYDWUVLC_on_Q13224_WT,Low,ChEMBL30,CHEMBL292065,Cc1nc(C#Cc2cccnc2)cs1,NRBNGHCYDWUVLC,NRBNGHCYDWUVLC-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3","""AuxInfo=1/0/N:1,9,8,6,5,10,12,13,2,7,4,11,3,14/rA:14CCNCCCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749673,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-NRBNGHCYDWUVLC_on_Q13255_WT,Low,ChEMBL30,CHEMBL292065,Cc1nc(C#Cc2cccnc2)cs1,NRBNGHCYDWUVLC,NRBNGHCYDWUVLC-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3","""AuxInfo=1/0/N:1,9,8,6,5,10,12,13,2,7,4,11,3,14/rA:14CCNCCCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717932,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NRBRKRZMKXLHTR_on_P18507_WT,Low,ChEMBL30,CHEMBL1783287,COc1c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)cccn1,NRBRKRZMKXLHTR,NRBRKRZMKXLHTR-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24)","""AuxInfo=1/1/N:1,18,7,25,17,19,6,8,24,26,14,16,5,4,9,13,12,10,23,3,20,11,27,22,15,21,2/E:(5,6)/rA:27COCCCCCCCCNCCCNCCCCCONCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;d12;s13;s14;s15;s16;s17;s16s18;s12s15;d20;s13;s5s9d22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-NRBRKRZMKXLHTR_on_P28472_WT,Low,ChEMBL30,CHEMBL1783287,COc1c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)cccn1,NRBRKRZMKXLHTR,NRBRKRZMKXLHTR-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24)","""AuxInfo=1/1/N:1,18,7,25,17,19,6,8,24,26,14,16,5,4,9,13,12,10,23,3,20,11,27,22,15,21,2/E:(5,6)/rA:27COCCCCCCCCNCCCNCCCCCONCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;d12;s13;s14;s15;s16;s17;s16s18;s12s15;d20;s13;s5s9d22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-NRBRKRZMKXLHTR_on_P47869_WT,Low,ChEMBL30,CHEMBL1783287,COc1c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)cccn1,NRBRKRZMKXLHTR,NRBRKRZMKXLHTR-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-10,12H,2,5-6,11H2,1H3,(H2,22,24)","""AuxInfo=1/1/N:1,18,7,25,17,19,6,8,24,26,14,16,5,4,9,13,12,10,23,3,20,11,27,22,15,21,2/E:(5,6)/rA:27COCCCCCCCCNCCCNCCCCCONCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;d12;s13;s14;s15;s16;s17;s16s18;s12s15;d20;s13;s5s9d22;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-NRBVXSKAACXSSS_on_P41594_WT,High,ChEMBL30,CHEMBL3702425,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc(C)s4)C3=C2)cn1,NRBVXSKAACXSSS,NRBVXSKAACXSSS-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-14-9-24-22(30-14)18-5-3-4-17-16(18)6-7-27-19(17)8-20(23-10-21(27)28)26-11-15(12-29-2)25-13-26/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3","""AuxInfo=1/0/N:25,1,18,17,19,14,13,28,23,9,5,3,29,24,4,15,16,20,27,7,10,21,8,22,30,6,12,11,2,26/rA:30COCCCNCNCCONCCCCCCCCCNCCCSCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s21s24;s12s16;s7w?27;s6;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-NRCHURHJYYUUJQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL55568,c1ccc(C(CNCCCCCCNCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,NRCHURHJYYUUJQ,NRCHURHJYYUUJQ-UHFFFAOYSA-N,"InChI=1S/C48H70N4/c1(3-21-35-49-37-23-5-7-25-39-51-41-47(43-27-13-9-14-28-43)44-29-15-10-16-30-44)2-4-22-36-50-38-24-6-8-26-40-52-42-48(45-31-17-11-18-32-45)46-33-19-12-20-34-46/h9-20,27-34,47-52H,1-8,21-26,35-42H2","""AuxInfo=1/0/N:18,19,17,20,11,26,10,27,1,48,36,42,2,52,47,49,35,37,41,43,16,21,12,25,9,28,3,51,46,50,34,38,40,44,15,22,13,24,8,29,6,31,4,45,33,39,5,32,14,23,7,30/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16,17,18,19,20)(21,22)(23,24)(25,26)(27,28,29,30,31,32,33,34)(35,36)(37,38)(39,40)(41,42)(43,44,45,46)(47,48)(49,50)(51,52)/rA:52CCCCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;d33;s34;d35;s36;s33d37;s32;d39;s40;d41;s42;s39d43;s5;d45;s46;d47;s48;s45d49;s4;s1d51;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-NRCHURHJYYUUJQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL55568,c1ccc(C(CNCCCCCCNCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,NRCHURHJYYUUJQ,NRCHURHJYYUUJQ-UHFFFAOYSA-N,"InChI=1S/C48H70N4/c1(3-21-35-49-37-23-5-7-25-39-51-41-47(43-27-13-9-14-28-43)44-29-15-10-16-30-44)2-4-22-36-50-38-24-6-8-26-40-52-42-48(45-31-17-11-18-32-45)46-33-19-12-20-34-46/h9-20,27-34,47-52H,1-8,21-26,35-42H2","""AuxInfo=1/0/N:18,19,17,20,11,26,10,27,1,48,36,42,2,52,47,49,35,37,41,43,16,21,12,25,9,28,3,51,46,50,34,38,40,44,15,22,13,24,8,29,6,31,4,45,33,39,5,32,14,23,7,30/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16,17,18,19,20)(21,22)(23,24)(25,26)(27,28,29,30,31,32,33,34)(35,36)(37,38)(39,40)(41,42)(43,44,45,46)(47,48)(49,50)(51,52)/rA:52CCCCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;d33;s34;d35;s36;s33d37;s32;d39;s40;d41;s42;s39d43;s5;d45;s46;d47;s48;s45d49;s4;s1d51;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-NRCNHRJESVKFJO_on_P14867_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-NRCNHRJESVKFJO_on_P18507_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680672;CHEMBL682711;CHEMBL677036;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720;  7.220;  6.640;  7.230,7.202999999999999,0.38299999999999995,0.221,4.0,7.225,0.25
-NRCNHRJESVKFJO_on_P28472_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672;CHEMBL677036;CHEMBL680434;CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720;  6.640;  7.230;  7.220,7.202000000000001,0.38299999999999995,0.221,4.0,7.225,0.25
-NRCNHRJESVKFJO_on_P31644_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-NRCNHRJESVKFJO_on_P34903_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-NRCNHRJESVKFJO_on_P47869_WT,Low,ChEMBL30,CHEMBL95188,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1,NRCNHRJESVKFJO,NRCNHRJESVKFJO-UHFFFAOYSA-N,"InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,20,21,16,11,7,13,12,14,5,3,4,8,15,6,2/E:(1,2)/rA:21CSCCCOCCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s13;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-NRJNVAHQQJOPPW_on_P41594_WT,High,ChEMBL30,CHEMBL4078647,O=c1cc(OCc2cccc(Cl)c2)nc2ccc(Oc3cnccc3)cn12,NRJNVAHQQJOPPW,NRJNVAHQQJOPPW-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2","""AuxInfo=1/0/N:9,24,8,10,25,17,16,23,13,3,21,26,6,7,11,20,18,15,4,2,12,22,14,27,1,5,19/rA:27OCCCOCCCCCCClCNCCCCOCCNCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;d18;s2s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-NRKCOBGJIYBHGV_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010879,Oc1ccc2[nH]c(Cc3ccccc3)nc2c1CN1CCCC1,NRKCOBGJIYBHGV,NRKCOBGJIYBHGV-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-9-8-16-19(15(17)13-22-10-4-5-11-22)21-18(20-16)12-14-6-2-1-3-7-14/h1-3,6-9,23H,4-5,10-13H2,(H,20,21)","""AuxInfo=1/1/N:12,11,13,21,22,10,14,4,3,20,23,8,18,9,17,5,2,7,16,6,15,19,1/E:(2,3)(4,5)(6,7)(10,11)/rA:23OCCCCNCCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d7;s5s15;s2d16;s17;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-NRKCOBGJIYBHGV_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70687333;CHEMBL2010879,Oc1ccc2[nH]c(Cc3ccccc3)nc2c1CN1CCCC1,NRKCOBGJIYBHGV,NRKCOBGJIYBHGV-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-17-9-8-16-19(15(17)13-22-10-4-5-11-22)21-18(20-16)12-14-6-2-1-3-7-14/h1-3,6-9,23H,4-5,10-13H2,(H,20,21)","""AuxInfo=1/1/N:12,11,13,21,22,10,14,4,3,20,23,8,18,9,17,5,2,7,16,6,15,19,1/E:(2,3)(4,5)(6,7)(10,11)/rA:23OCCCCNCCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d7;s5s15;s2d16;s17;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  5.800;  5.800,5.8,0.0,0.0,2.0,5.8,0.0
-NRPKYBDEADBVNE_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003373;CHEMBL1909434,O=C(Nc1ccc(NC(=O)c2nccs2)c(Cl)c1)c1ccccn1,NRPKYBDEADBVNE,NRPKYBDEADBVNE-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2S/c17-11-9-10(20-14(22)13-3-1-2-6-18-13)4-5-12(11)21-15(23)16-19-7-8-24-16/h1-9H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:21,22,20,5,6,23,13,14,18,4,16,7,19,2,9,11,17,24,12,3,8,1,10,15/rA:24OCNCCCCNCOCNCCSCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;s4d16;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  6.395;  6.390,6.393,0.003,0.003,2.0,6.393,0.002
-NRUKXBVEHWTHOE_on_P41594_WT,High,ChEMBL30,CHEMBL1630066,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(C3CC3)nn12,NRUKXBVEHWTHOE,NRUKXBVEHWTHOE-UHFFFAOYSA-N,"InChI=1S/C17H18N4O3/c1-10-14(24-16-19-15(12-8-9-12)20-21(10)16)11(2)23-17(22)18-13-6-4-3-5-7-13/h3-7,11-12H,8-9H2,1-2H3,(H,18,22)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,21,22,2,4,20,10,3,19,17,7,9,18,23,24,8,6,16/E:(4,5)(6,7)(8,9)/rA:24CCCCCOCONCCCCCCOCNCCCCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;s19;s20;s20s21;d19;s2s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-NRURXSQJQOCKDU_on_P31644_WT,High,ChEMBL30,CHEMBL3681589,COC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1,NRURXSQJQOCKDU,NRURXSQJQOCKDU-UHFFFAOYSA-N,"InChI=1S/C16H14N4O4/c1-10-12(15(20-24-10)13-5-6-17-9-19-13)8-23-14-4-3-11(7-18-14)16(21)22-2/h3-7,9H,8H2,1-2H3","""AuxInfo=1/0/N:13,1,6,7,18,19,24,10,21,12,5,11,17,8,16,3,20,23,22,15,4,2,9,14/rA:24COCOCCCCOCCCCONCCCCNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-NRUWYCSEGOFESG_on_O15399_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_O60391_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_Q05586_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_Q12879_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_Q13224_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRUWYCSEGOFESG_on_Q14957_WT,Low,ChEMBL30,CHEMBL442545,Oc1nc2c(cc3CCCc3c2)nc1O,NRUWYCSEGOFESG,NRUWYCSEGOFESG-UHFFFAOYSA-N,"InChI=1S/C11H10N2O2/c14-10-11(15)13-9-5-7-3-1-2-6(7)4-8(9)12-10/h4-5H,1-3H2,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:9,8,10,6,12,7,11,5,4,14,2,13,3,15,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/gE:(1,2)/rA:15OCNCCCCCCCCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s7s10;s4d11;s5;s2d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NRWYEXCPHKZKIR_on_Q13255_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2397347;CHEMBL2397347;71680760,CC1CN(c2c(C#N)nccc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,NRWYEXCPHKZKIR,NRWYEXCPHKZKIR-UHFFFAOYSA-N,"InChI=1S/C22H28N4O/c1-15-14-25(20-3-2-4-24-19(20)13-23)5-6-26(15)21(27)22-10-16-7-17(11-22)9-18(8-16)12-22/h2-4,15-18H,5-12,14H2,1H3","""AuxInfo=1/0/N:1,11,12,10,13,14,21,23,25,27,19,26,7,3,2,22,20,24,6,5,16,18,8,9,4,15,17/E:(7,8,9)(10,11,12)(16,17,18)/rA:27CCCNCCCNNCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;t7;s6;d9;s10;s5d11;s4;s13;s2s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851;CHEMBL2421151;PubChemAID:756314,PMID:23727046,2013.0,PMID:23727046;PMID:23932792;PubChemAID:756314,2013;2013;2014,1;1;0,0,0,0,0;0;1,,=,  7.010;  7.000;  7.010,7.007000000000001,0.005,0.003,3.0,7.01,0.0
-NRYIXXXIFLXNEH_on_Q13255_WT,High,ChEMBL30,CHEMBL2397372,CC1CN(c2ncccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,NRYIXXXIFLXNEH,NRYIXXXIFLXNEH-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c1-14-13-23(19-21-3-2-4-22-19)5-6-24(14)18(25)20-10-15-7-16(11-20)9-17(8-15)12-20/h2-4,14-17H,5-13H2,1H3","""AuxInfo=1/0/N:1,8,7,9,11,12,19,21,23,25,17,24,3,2,20,18,22,14,5,16,6,10,4,13,15/E:(3,4)(7,8,9)(10,11,12)(15,16,17)(21,22)/rA:25CCCNCNCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.150;  6.150,6.15,0.0,0.0,2.0,6.15,0.0
-NRYRAIXAMMUJTO_on_P41594_WT,High,ChEMBL30,CHEMBL3633949,O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12,NRYRAIXAMMUJTO,NRYRAIXAMMUJTO-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c23-19(15-7-4-5-8-15)21-11-6-12-22-18(21)13-16(20-22)14-24-17-9-2-1-3-10-17/h1-3,9-10,13,15H,4-8,11-12,14H2","""AuxInfo=1/0/N:20,19,21,5,6,10,4,7,18,22,9,11,23,15,3,14,17,24,2,13,8,12,1,16/E:(2,3)(4,5)(7,8)(9,10)/rA:24OCCCCCCNCCCNNCCOCCCCCCCC/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s8s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.760;  5.760,5.76,0.0,0.0,2.0,5.76,0.0
-NRZGQAOABPQMJB_on_Q13255_WT,High,ChEMBL30,CHEMBL2397344,CC1CN(c2c(C#N)cccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,NRZGQAOABPQMJB,NRZGQAOABPQMJB-UHFFFAOYSA-N,"InChI=1S/C22H28N4O/c1-15-14-25(20-19(13-23)3-2-4-24-20)5-6-26(15)21(27)22-10-16-7-17(11-22)9-18(8-16)12-22/h2-4,15-18H,5-12,14H2,1H3","""AuxInfo=1/0/N:1,10,9,11,13,14,21,23,25,27,19,26,7,3,2,22,20,24,6,5,16,18,8,12,4,15,17/E:(7,8,9)(10,11,12)(16,17,18)/rA:27CCCNCCCNCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;t7;s6;d9;s10;s5d11;s4;s13;s2s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.460;  6.460,6.46,0.0,0.0,2.0,6.46,0.0
-NRZWXXWVWVMCFH_on_P41594_WT,Low,ChEMBL30,CHEMBL609886,O=C(c1ccc(Nc2ccc(Cl)c(Cl)c2)nc1)N1CCCCC1,NRZWXXWVWVMCFH,NRZWXXWVWVMCFH-UHFFFAOYSA-N,"InChI=1S/C17H17Cl2N3O/c18-14-6-5-13(10-15(14)19)21-16-7-4-12(11-20-16)17(23)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21)","""AuxInfo=1/1/N:21,20,22,4,9,10,5,19,23,15,17,3,8,11,13,6,2,12,14,16,7,18,1/E:(2,3)(8,9)/rA:23OCCCCCNCCCCClCClCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s13;s8d13;s6;s3d16;s2;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NSDVBOJVYLPCFD_on_Q05586_WT,Medium,ChEMBL30,CHEMBL162577,COc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1,NSDVBOJVYLPCFD,NSDVBOJVYLPCFD-UHFFFAOYSA-N,"InChI=1S/C20H15Cl2N3O5/c1-30-12-4-2-11(3-5-12)25-16(26)9-24(20(25)29)8-13-17-14(22)6-10(21)7-15(17)23-18(13)19(27)28/h2-7,23H,8-9H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,5,29,4,30,23,20,12,10,21,6,3,13,24,19,8,26,14,15,27,22,25,18,11,7,9,16,17,28,2/E:(2,3)(4,5)(27,28)/rA:30COCCCCNCOCNCCCCOONCCCClCCClCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s15;s14;s18;d19;s20;s21;d21;s23;s24;s13s19d24;s7s11;d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-NSIYEZSPQZZOFV_on_P41594_WT,High,ChEMBL30,CHEMBL3655658,CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1,NSIYEZSPQZZOFV,NSIYEZSPQZZOFV-UHFFFAOYSA-N,"InChI=1S/C17H14BrN5O/c1-23(16-9-20-11-21-10-16)15-6-14(7-19-8-15)22-17(24)12-3-2-4-13(18)5-12/h2-11H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,18,20,23,24,12,10,4,8,6,17,21,13,9,3,15,22,11,5,7,14,2,16/E:(9,10)(20,21)/rA:24CNCCNCNCCCNCCNCOCCCCCBrCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.840;  7.060,6.95,0.11,0.11,2.0,6.95,0.11
-NSKUPODOMPQJHG_on_P41594_WT,Low,ChEMBL30,CHEMBL1951669,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc3ncsc3c2)c1=O,NSKUPODOMPQJHG,NSKUPODOMPQJHG-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-13-15(9-11)25-10-21-13/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,9,13,8,14,24,21,16,12,19,4,23,5,11,6,25,7,20,2,15,26,22,10/E:(1,2)/rA:26CNCCCCNCCSCCCCNCCCCNCSCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s19s22;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NSKUPODOMPQJHG_on_Q13255_WT,High,ChEMBL30,CHEMBL1951669,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc3ncsc3c2)c1=O,NSKUPODOMPQJHG,NSKUPODOMPQJHG-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-13-15(9-11)25-10-21-13/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,9,13,8,14,24,21,16,12,19,4,23,5,11,6,25,7,20,2,15,26,22,10/E:(1,2)/rA:26CNCCCCNCCSCCCCNCCCCNCSCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s19s22;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-NSLSJULTKOQOFP_on_P31644_WT,High,ChEMBL30,CHEMBL3681461,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccnc2)no1,NSLSJULTKOQOFP,NSLSJULTKOQOFP-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-13-17(19(24-27-13)15-3-2-8-21-10-15)12-26-18-7-6-16(11-22-18)20(25)23-9-14-4-5-14/h2-3,6-8,10-11,14H,4-5,9,12H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,22,21,15,16,8,7,23,13,25,17,4,2,14,20,9,3,6,19,10,24,18,12,26,11,5,27/E:(4,5)/rA:27CCCCOCCCCCONCCCCCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-NSOJADJSIOHGHB_on_O15399_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_O60391_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSOJADJSIOHGHB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1190158,Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1,NSOJADJSIOHGHB,NSOJADJSIOHGHB-UHFFFAOYSA-N,"InChI=1S/C20H29N3/c1-14-6-4-5-7-16(14)22-17(21)23-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,13,16,22,21,23,20,11,17,9,14,19,18,2,10,3,5,12,15,8,6,4,7/E:(2,3)(8,9)(12,13)(18,19)/rA:23CCCNCNNCCCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s12;s14;s15;s10s15;s8s15;s8s12;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-NSTKOSLZMSLHPO_on_P14867_WT,Low,ChEMBL30,CHEMBL499964,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-NSTKOSLZMSLHPO_on_P18507_WT,Low,ChEMBL30,CHEMBL499964,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL999409;CHEMBL999410;CHEMBL999414;CHEMBL999413,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  6.340;  5.300;  5.300;  5.300,5.56,0.45,0.26,4.0,5.3,0.0
-NSTKOSLZMSLHPO_on_P28472_WT,Low,ChEMBL30,CHEMBL499964,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL999414;CHEMBL999413;CHEMBL999410;CHEMBL999409,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.300;  5.300;  5.300;  6.340,5.56,0.45,0.26,4.0,5.3,0.0
-NSTKOSLZMSLHPO_on_P31644_WT,High,ExCAPE-DB,21065279,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,PubChemAID:349345,PMID:18790643,2008.0,PubChemAID:349345,2010,0,0,0,0,1,,=,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-NSTKOSLZMSLHPO_on_P47869_WT,High,ExCAPE-DB,21065279,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,PubChemAID:349342,PMID:18790643,2008.0,PubChemAID:349342,2010,0,0,0,0,1,,=,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-NSTKOSLZMSLHPO_on_Q16445_WT,Low,ChEMBL30,CHEMBL499964,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21,NSTKOSLZMSLHPO,NSTKOSLZMSLHPO-UHFFFAOYSA-N,"InChI=1S/C44H32N6O5/c1-3-29-15-17-35-33(23-29)39(31-11-7-5-8-12-31)45-25-37-41(47-27-49(35)37)43(51)54-21-19-53-20-22-55-44(52)42-38-26-46-40(32-13-9-6-10-14-32)34-24-30(4-2)16-18-36(34)50(38)28-48-42/h1-2,5-18,23-24,27-28H,19-22,25-26H2","""AuxInfo=1/0/N:1,48,2,47,13,39,12,14,38,40,11,15,37,41,4,45,5,44,24,26,23,27,8,49,17,33,54,51,3,46,10,36,7,42,6,43,18,32,9,35,19,31,20,29,16,34,53,52,55,50,21,30,25,22,28/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)(45,46)(47,48)(49,50)(51,52)(54,55)/rA:55CCCCCCCCCCCCCCCNCCCCOOCCOCCOCOCCCNCCCCCCCCCCCCCCCNCNNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;d29;s29;d31;s32;s33;w?34;s35;d36;s37;d38;s39;s36d40;s35;d42;s43;d44;s45;s46;t47;s42d46;s32s43;s50;s31d51;s19;d53;s6s18s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414,PMID:18790643,2008.0,PMID:18790643,2008,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-NSVRIDBPWFCPNQ_on_P14867_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-NSVRIDBPWFCPNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.790;  6.680;  7.960;  6.620,7.0120000000000005,0.55,0.318,4.0,6.735,0.085
-NSVRIDBPWFCPNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681405;CHEMBL681641;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.620;  6.790;  6.680;  7.960,7.0120000000000005,0.55,0.318,4.0,6.735,0.085
-NSVRIDBPWFCPNQ_on_P31644_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-NSVRIDBPWFCPNQ_on_P34903_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-NSVRIDBPWFCPNQ_on_P47869_WT,Low,ChEMBL30,CHEMBL72914,CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,NSVRIDBPWFCPNQ,NSVRIDBPWFCPNQ-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c1-4-12-13-9(7-15(2,3)8-11(13)18)14(19-12)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,9,10,2,18,17,11,7,12,14,5,3,4,13,8,16,15,6,19/E:(2,3)/rA:19CCCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-NSYAHPROSUNCTM_on_O15399_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_O60391_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_Q05586_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_Q12879_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_Q13224_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NSYAHPROSUNCTM_on_Q14957_WT,Low,ChEMBL30,CHEMBL169101,Cc1cnc(N2CCc3c(cccc3)C2)cc1,NSYAHPROSUNCTM,NSYAHPROSUNCTM-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-7-15(16-10-12)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,17,16,8,7,3,15,2,9,10,5,4,6/rA:17CCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-NTAGMISBMIEUNV_on_P41594_WT,High,ChEMBL30,CHEMBL403327,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccccc3F)c2c1,NTAGMISBMIEUNV,NTAGMISBMIEUNV-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O2/c1-3-24-19(23)15-10-18-17(21-13(2)11-22(18)12-15)9-8-14-6-4-5-7-16(14)20/h4-7,10-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,19,17,20,15,14,24,9,7,10,16,6,21,13,23,4,22,12,8,5,3/rA:24CCOCOCCNCCCNCCCCCCCCCFCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s21;s8s13;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-NTDNSTJWFZRSLJ_on_P41594_WT,High,ChEMBL30,CHEMBL3597598,O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2cccc(Cl)c2)CC1,NTDNSTJWFZRSLJ,NTDNSTJWFZRSLJ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c20-17-7-2-6-16(14-17)5-1-4-15-9-12-22(13-10-15)19-18(23(24)25)8-3-11-21-19/h2-4,6-8,11,14H,9-10,12-13H2","""AuxInfo=1/0/N:15,19,6,14,16,18,20,5,12,24,7,11,25,23,13,17,21,4,9,22,8,10,2,1,3/E:(9,10)(12,13)(24,25)/CRV:23.5/rA:25ON+O-CCCCNCNCCCCCCCCCCCClCCC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s13;s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  9.300;  8.420,8.86,0.44,0.44,2.0,8.86,0.44
-NTEJQKKRXJFSNG_on_O15399_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-NTEJQKKRXJFSNG_on_O60391_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-NTEJQKKRXJFSNG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-NTEJQKKRXJFSNG_on_Q05586_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400;  8.150,7.775,0.375,0.375,2.0,7.775,0.375
-NTEJQKKRXJFSNG_on_Q12879_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-NTEJQKKRXJFSNG_on_Q13224_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400;  8.150,7.775,0.375,0.375,2.0,7.775,0.375
-NTEJQKKRXJFSNG_on_Q14957_WT,Low,ChEMBL30,CHEMBL367816,O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1,NTEJQKKRXJFSNG,NTEJQKKRXJFSNG-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:23,26,5,22,27,6,18,28,17,29,13,24,4,21,19,7,12,2,14,9,25,3,8,16,1,15,10,20,11/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCCNCOOCCCONCCCOCCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-NTEUDQFHQWGEBH_on_P14867_WT,Low,ChEMBL30,CHEMBL203437,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1,NTEUDQFHQWGEBH,NTEUDQFHQWGEBH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,28,16,27,12,20,9,11,19,13,22,10,5,14,7,2,23,21,15,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-NTEUDQFHQWGEBH_on_P18507_WT,Low,ChEMBL30,CHEMBL203437,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1,NTEUDQFHQWGEBH,NTEUDQFHQWGEBH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,28,16,27,12,20,9,11,19,13,22,10,5,14,7,2,23,21,15,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.850;  8.440;  9.170,8.82,0.299,0.21100000000000002,3.0,8.85,0.32
-NTEUDQFHQWGEBH_on_P28472_WT,Low,ChEMBL30,CHEMBL203437,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1,NTEUDQFHQWGEBH,NTEUDQFHQWGEBH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,28,16,27,12,20,9,11,19,13,22,10,5,14,7,2,23,21,15,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863774;CHEMBL863772;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.440;  8.850;  9.170,8.82,0.299,0.21100000000000002,3.0,8.85,0.32
-NTEUDQFHQWGEBH_on_P31644_WT,Low,ChEMBL30,CHEMBL203437,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1,NTEUDQFHQWGEBH,NTEUDQFHQWGEBH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,28,16,27,12,20,9,11,19,13,22,10,5,14,7,2,23,21,15,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-NTEUDQFHQWGEBH_on_P34903_WT,Low,ChEMBL30,CHEMBL203437,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1,NTEUDQFHQWGEBH,NTEUDQFHQWGEBH-UHFFFAOYSA-N,"InChI=1S/C21H16FN5O/c1-21(2,28)18-7-9-27-17(12-25-20(27)26-18)13-5-6-16(22)15(10-13)19-14(11-23)4-3-8-24-19/h3-10,12,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,28,16,27,12,20,9,11,19,13,22,10,5,14,7,2,23,21,15,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-NTNDZKMDIGCVDQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290726,O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)CC1,NTNDZKMDIGCVDQ,NTNDZKMDIGCVDQ-UHFFFAOYSA-N,"InChI=1S/C29H32N2O3/c32-28-20-31(25-14-17-30(18-15-25)29(33)23-9-5-2-6-10-23)16-13-24-19-26(11-12-27(24)28)34-21-22-7-3-1-4-8-22/h1-12,19,25,28,32H,13-18,20-21H2","""AuxInfo=1/0/N:26,6,25,27,5,7,24,28,4,8,19,18,15,11,33,14,10,34,29,32,22,23,3,16,12,20,17,30,2,9,13,31,1,21/E:(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)/rA:34OCCCCCCCNCCCNCCCCCCCOCCCCCCCCCOCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s17;s30;s13s30;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-NTNDZKMDIGCVDQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290726,O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)CC1,NTNDZKMDIGCVDQ,NTNDZKMDIGCVDQ-UHFFFAOYSA-N,"InChI=1S/C29H32N2O3/c32-28-20-31(25-14-17-30(18-15-25)29(33)23-9-5-2-6-10-23)16-13-24-19-26(11-12-27(24)28)34-21-22-7-3-1-4-8-22/h1-12,19,25,28,32H,13-18,20-21H2","""AuxInfo=1/0/N:26,6,25,27,5,7,24,28,4,8,19,18,15,11,33,14,10,34,29,32,22,23,3,16,12,20,17,30,2,9,13,31,1,21/E:(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)/rA:34OCCCCCCCNCCCNCCCCCCCOCCCCCCCCCOCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s17;s30;s13s30;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-NTPXNEQCDPWJQA_on_O00222_WT,Medium,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-NTPXNEQCDPWJQA_on_P41594_WT,Low,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NTPXNEQCDPWJQA_on_Q13255_WT,Low,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NTPXNEQCDPWJQA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-NTPXNEQCDPWJQA_on_Q14832_WT,Medium,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-NTPXNEQCDPWJQA_on_Q14833_WT,Medium,ChEMBL30,CHEMBL330097,NC1(C(=O)O)C(O)CC2C(C(=O)O)C21,NTPXNEQCDPWJQA,NTPXNEQCDPWJQA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:8,9,6,10,14,11,3,2,1,7,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NTQIDFIQUNKLIH_on_P14867_WT,Low,ChEMBL30,CHEMBL44533,Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,NTQIDFIQUNKLIH,NTQIDFIQUNKLIH-UHFFFAOYSA-N,"InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,10,14,22,18,19,24,7,21,3,2,9,17,8,6,16,15,5,26,20,28,25,27,4/E:(3,4)(6,7)/rA:28CCCSCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-NTQIDFIQUNKLIH_on_P18507_WT,Low,ChEMBL30,CHEMBL44533,Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,NTQIDFIQUNKLIH,NTQIDFIQUNKLIH-UHFFFAOYSA-N,"InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,10,14,22,18,19,24,7,21,3,2,9,17,8,6,16,15,5,26,20,28,25,27,4/E:(3,4)(6,7)/rA:28CCCSCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.150;  9.400,9.275,0.125,0.125,2.0,9.275,0.125
-NTQIDFIQUNKLIH_on_P28472_WT,Low,ChEMBL30,CHEMBL44533,Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,NTQIDFIQUNKLIH,NTQIDFIQUNKLIH-UHFFFAOYSA-N,"InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,10,14,22,18,19,24,7,21,3,2,9,17,8,6,16,15,5,26,20,28,25,27,4/E:(3,4)(6,7)/rA:28CCCSCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.150;  9.400,9.275,0.125,0.125,2.0,9.275,0.125
-NTQIDFIQUNKLIH_on_P34903_WT,Low,ChEMBL30,CHEMBL44533,Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,NTQIDFIQUNKLIH,NTQIDFIQUNKLIH-UHFFFAOYSA-N,"InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,10,14,22,18,19,24,7,21,3,2,9,17,8,6,16,15,5,26,20,28,25,27,4/E:(3,4)(6,7)/rA:28CCCSCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-NTQIDFIQUNKLIH_on_P47869_WT,High,ExCAPE-DB;ChEMBL30,10883539;CHEMBL44533,Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,NTQIDFIQUNKLIH,NTQIDFIQUNKLIH-UHFFFAOYSA-N,"InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,10,14,22,18,19,24,7,21,3,2,9,17,8,6,16,15,5,26,20,28,25,27,4/E:(3,4)(6,7)/rA:28CCCSCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,PubChemAID:71234;CHEMBL678890,PMID:15026049,2004.0,PubChemAID:71234;PMID:15026049,2010;2004,0,0,0,0;1,1;0,,=,  9.523;  9.520,9.521,0.002,0.002,2.0,9.521,0.002
-NTSIBLRVVRGOLO_on_P18507_WT,Low,ChEMBL30,CHEMBL1783247,CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N,NTSIBLRVVRGOLO,NTSIBLRVVRGOLO-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,19,2,21,20,22,16,17,3,13,14,18,11,23,12,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-NTSIBLRVVRGOLO_on_P28472_WT,Low,ChEMBL30,CHEMBL1783247,CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N,NTSIBLRVVRGOLO,NTSIBLRVVRGOLO-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,19,2,21,20,22,16,17,3,13,14,18,11,23,12,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-NTSIBLRVVRGOLO_on_P47869_WT,High,ChEMBL30,CHEMBL1783247,CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N,NTSIBLRVVRGOLO,NTSIBLRVVRGOLO-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,15,19,2,21,20,22,16,17,3,13,14,18,11,23,12,24,10,7,5,25,4,9,8,6/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-NTXQAQPCBSFTCZ_on_P41594_WT,High,ChEMBL30,CHEMBL272940,Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1,NTXQAQPCBSFTCZ,NTXQAQPCBSFTCZ-UHFFFAOYSA-N,"InChI=1S/C22H18F3N3O/c1-15-13-28-14-17(21(29)27-9-2-3-10-27)12-20(28)19(26-15)8-7-16-5-4-6-18(11-16)22(23,24)25/h4-6,11-14H,2-3,9-10H2,1H3","""AuxInfo=1/0/N:1,11,12,27,28,26,18,17,10,13,20,14,3,5,2,19,6,21,16,15,7,22,23,24,25,29,9,4,8/E:(2,3)(9,10)(23,24,25)/rA:29CCCNCCCONCCCCCCCCCCCCCFFFCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s6;s4d14;s15;s16;t17;s18;d19;s20;s21;s22;s22;s22;d21;s26;s19d27;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-NTYGGXISAIGDQA_on_P14867_WT,Low,ChEMBL30,CHEMBL179654,FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,NTYGGXISAIGDQA,NTYGGXISAIGDQA-UHFFFAOYSA-N,"InChI=1S/C25H21F3N4O2/c26-25(27,28)34-19-12-6-15(7-13-19)14-33-24-21-17-10-8-16(9-11-17)20(21)23-30-29-22(32(23)31-24)18-4-2-1-3-5-18/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:19,18,20,17,21,8,33,29,31,28,32,7,34,10,9,30,27,16,6,25,26,15,24,12,2,1,3,4,22,23,13,14,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(26,27,28)/rA:34FCFFOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s9;s6d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-NTYGGXISAIGDQA_on_P31644_WT,Low,ChEMBL30,CHEMBL179654,FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,NTYGGXISAIGDQA,NTYGGXISAIGDQA-UHFFFAOYSA-N,"InChI=1S/C25H21F3N4O2/c26-25(27,28)34-19-12-6-15(7-13-19)14-33-24-21-17-10-8-16(9-11-17)20(21)23-30-29-22(32(23)31-24)18-4-2-1-3-5-18/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:19,18,20,17,21,8,33,29,31,28,32,7,34,10,9,30,27,16,6,25,26,15,24,12,2,1,3,4,22,23,13,14,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(26,27,28)/rA:34FCFFOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s9;s6d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-NTYGGXISAIGDQA_on_P34903_WT,Low,ChEMBL30,CHEMBL179654,FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,NTYGGXISAIGDQA,NTYGGXISAIGDQA-UHFFFAOYSA-N,"InChI=1S/C25H21F3N4O2/c26-25(27,28)34-19-12-6-15(7-13-19)14-33-24-21-17-10-8-16(9-11-17)20(21)23-30-29-22(32(23)31-24)18-4-2-1-3-5-18/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:19,18,20,17,21,8,33,29,31,28,32,7,34,10,9,30,27,16,6,25,26,15,24,12,2,1,3,4,22,23,13,14,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(26,27,28)/rA:34FCFFOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s9;s6d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-NTYGGXISAIGDQA_on_P47869_WT,Low,ChEMBL30,CHEMBL179654,FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,NTYGGXISAIGDQA,NTYGGXISAIGDQA-UHFFFAOYSA-N,"InChI=1S/C25H21F3N4O2/c26-25(27,28)34-19-12-6-15(7-13-19)14-33-24-21-17-10-8-16(9-11-17)20(21)23-30-29-22(32(23)31-24)18-4-2-1-3-5-18/h1-7,12-13,16-17H,8-11,14H2","""AuxInfo=1/0/N:19,18,20,17,21,8,33,29,31,28,32,7,34,10,9,30,27,16,6,25,26,15,24,12,2,1,3,4,22,23,13,14,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(26,27,28)/rA:34FCFFOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;s9;s6d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-NTZNKZHCQIJCPO_on_O00591_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_O14764_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P14867_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P18505_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P18507_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P28472_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P31644_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P34903_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P47869_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P47870_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P48169_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_P78334_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_Q16445_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NTZNKZHCQIJCPO_on_Q99928_WT,Low,ChEMBL30,CHEMBL359769,CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1,NTZNKZHCQIJCPO,NTZNKZHCQIJCPO-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S2/c1-27-11-5-3-9(4-6-11)14-16(24)26(25-17(14)28-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:1,26,5,27,4,28,14,20,6,15,3,12,21,7,11,8,24,16,13,22,17,18,19,9,23,10,2,25/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:28CSCCCCCCNNCCClCCCFFFCCClNCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;s10;s7d23;s24;s25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NUAUHFOOUOUZDG_on_P41594_WT,High,ChEMBL30,CHEMBL186331,N#Cc1cccc(-n2cc(-c3ncccc3)nn2)c1,NUAUHFOOUOUZDG,NUAUHFOOUOUZDG-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)19-10-14(17-18-19)13-6-1-2-7-16-13/h1-8,10H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,9,3,7,11,10,1,12,17,18,8/rA:19NCCCCCCNCCCNCCCCNNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-NUFYVALTQZQIIW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71579924;CHEMBL2349538,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)ccc1,NUFYVALTQZQIIW,NUFYVALTQZQIIW-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:1,22,11,24,25,23,15,14,18,2,21,16,13,19,4,8,12,6,17,20,3,5,9,10,7/rA:25CCNCNCOCNNCCCCCCFCCFCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s19;s8d12;s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  8.432;  8.430,8.431000000000001,0.001,0.001,2.0,8.431000000000001,0.001
-NUGIZDIFZXSZAH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11299421;CHEMBL212018,COc1cc(OCC#Cc2ccccn2)ccc1,NUGIZDIFZXSZAH,NUGIZDIFZXSZAH-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,12,13,17,8,11,9,18,16,14,7,4,10,3,5,15,2,6/rA:18COCCCOCCCCCCCCNCCC/rB:s1;s2;d3;s4;s5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d5;s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270777;CHEMBL864285,PMID:16839764,2006.0,PubChemAID:270777;PMID:16839764,2010;2006,0;1,0,0,0,1;0,,=,  5.812;  5.810,5.811,0.001,0.001,2.0,5.811,0.001
-NUGIZDIFZXSZAH_on_Q13255_WT,Low,ChEMBL30,CHEMBL212018,COc1cccc(OCC#Cc2ccccn2)c1,NUGIZDIFZXSZAH,NUGIZDIFZXSZAH-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,5,10,13,11,4,6,16,9,18,12,3,7,17,2,8/rA:18COCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL864286,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NUMKGLGZFKJONS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3969476,COc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1,NUMKGLGZFKJONS,NUMKGLGZFKJONS-UHFFFAOYSA-N,"InChI=1S/C24H19FN2O2/c1-29-19-9-2-15(3-10-19)12-16-4-11-20-21(17-5-7-18(25)8-6-17)14-23(24(26)28)27-22(20)13-16/h2-11,13-14H,12H2,1H3,(H2,26,28)","""AuxInfo=1/1/N:1,5,28,9,14,19,15,18,4,29,10,7,27,20,6,8,13,16,3,11,12,26,21,22,17,23,25,24,2/E:(2,3)(5,6)(7,8)(9,10)/rA:29COCCCCCCCCCCCCCCFCCCCCNONCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-NUMMYIGLOVCXMU_on_P41594_WT,High,ChEMBL30,CHEMBL2431426,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4cc(C#N)ccc4)C(=O)C3)c(-c3ccc(F)cc3)n2)c1,NUMMYIGLOVCXMU,NUMMYIGLOVCXMU-UHFFFAOYSA-N,"InChI=1S/C29H23F2N5O2/c1-19-13-22(7-10-25(19)31)26-16-35(29(33-26)21-5-8-23(30)9-6-21)17-27(37)34-11-12-36(28(38)18-34)24-4-2-3-20(14-24)15-32/h2-10,13-14,16H,11-12,17-18H2,1H3","""AuxInfo=1/0/N:1,24,23,25,31,36,6,32,35,5,15,16,38,19,21,9,11,28,2,20,30,7,33,18,3,8,12,26,29,34,4,22,37,14,10,17,13,27/E:(5,6)(8,9)/rA:38CCCFCCCCCNCCONCCNCCCCNCCCCOCCCCCCFCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;t21;d20;s23;s18d24;s17;d26;s14s26;s10;s29;d30;s31;d32;s33;s33;s30d35;s8d29;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-NUNJYRYJNBEYPH_on_P41594_WT,High,ChEMBL30,CHEMBL4072422,O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(Cl)cn1)o2,NUNJYRYJNBEYPH,NUNJYRYJNBEYPH-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:6,5,7,4,8,19,18,11,10,22,14,3,20,17,13,12,16,2,21,23,15,9,1,24/E:(2,3)(4,5)/rA:24OCCCCCCCNCCCCCNCCCCCClCNO/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;d12;s9s13;s13;d15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-NUOUVDQBWABUQE_on_Q12879_WT,Medium,ChEMBL30,CHEMBL147200,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCCN1CCC(Cc3ccccc3)CC1)n2,NUOUVDQBWABUQE,NUOUVDQBWABUQE-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)","""AuxInfo=1/1/N:24,23,25,14,22,26,9,8,18,27,15,17,28,13,20,5,21,19,4,7,6,11,10,29,16,2,1,3,12/E:(2,3)(5,6)(9,10)(12,13)(27,28)/CRV:26.5/rA:29ON+O-CCCCCCNCSCCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-NUOUVDQBWABUQE_on_Q13224_WT,Medium,ChEMBL30,CHEMBL147200,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCCN1CCC(Cc3ccccc3)CC1)n2,NUOUVDQBWABUQE,NUOUVDQBWABUQE-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)","""AuxInfo=1/1/N:24,23,25,14,22,26,9,8,18,27,15,17,28,13,20,5,21,19,4,7,6,11,10,29,16,2,1,3,12/E:(2,3)(5,6)(9,10)(12,13)(27,28)/CRV:26.5/rA:29ON+O-CCCCCCNCSCCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-NUOUVDQBWABUQE_on_Q14957_WT,Low,ChEMBL30,CHEMBL147200,O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCCN1CCC(Cc3ccccc3)CC1)n2,NUOUVDQBWABUQE,NUOUVDQBWABUQE-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2S/c27-26(28)19-7-8-20-21(16-19)24-22(23-20)29-14-4-11-25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15H2,(H,23,24)","""AuxInfo=1/1/N:24,23,25,14,22,26,9,8,18,27,15,17,28,13,20,5,21,19,4,7,6,11,10,29,16,2,1,3,12/E:(2,3)(5,6)(9,10)(12,13)(27,28)/CRV:26.5/rA:29ON+O-CCCCCCNCSCCCNCCCCCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-NURMFSYNABAOFU_on_P14867_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-NURMFSYNABAOFU_on_P18507_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678745;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920;  9.080;  8.740;  9.430,9.043,0.254,0.147,4.0,9.0,0.17
-NURMFSYNABAOFU_on_P28472_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678741;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920;  9.430;  9.080;  8.740,9.043,0.254,0.147,4.0,9.0,0.17
-NURMFSYNABAOFU_on_P31644_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.080,9.08,0.0,0.0,1.0,9.08,0.0
-NURMFSYNABAOFU_on_P34903_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.430,9.43,0.0,0.0,1.0,9.43,0.0
-NURMFSYNABAOFU_on_P47869_WT,Low,ChEMBL30,CHEMBL300951,Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,NURMFSYNABAOFU,NURMFSYNABAOFU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,4,3,13,17,28,5,25,22,2,12,23,6,7,11,8,20,24,10,9,19,18,21/E:(3,4)(9,10)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s6d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-NUTSBFDWIFRXQO_on_P41594_WT,Low,ChEMBL30,CHEMBL3655635,N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)c2)cnc1,NUTSBFDWIFRXQO,NUTSBFDWIFRXQO-UHFFFAOYSA-N,"InChI=1S/C16H10N6O2/c17-3-11-1-12(5-18-4-11)16(23)22-13-2-14(7-19-6-13)24-15-8-20-10-21-9-15/h1-2,4-10H,(H,22,23)","""AuxInfo=1/1/N:4,21,2,24,22,10,12,16,20,18,3,5,9,13,15,6,1,23,11,17,19,8,7,14/E:(8,9)(20,21)/rA:24NCCCCCONCCNCCOCCNCNCCCNC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NUVFBRNHNQYGEJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107737,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)cc3)n2)cc(C)n1,NUVFBRNHNQYGEJ,NUVFBRNHNQYGEJ-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O/c1-13-10-17(11-14(2)26-13)20-19-8-9-29-15(3)12-28(19)21(27-20)16-4-6-18(7-5-16)22(23,24)25/h4-7,10-11,15H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,28,11,16,24,17,23,7,8,3,26,12,2,27,10,15,4,18,6,5,14,19,20,21,22,29,25,13,9/E:(1,2)(4,5)(6,7)(10,11)(13,14)(23,24,25)/rA:29CCCCCCCCOCCCNCCCCCCFFFCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s15d23;s5d14;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NUXDOJPLSMOYCM_on_P14867_WT,Low,ChEMBL30,CHEMBL1814291,COc1ccc(-c2c(O)ccc(CC(C)O)c2)cc1CC(C)O,NUXDOJPLSMOYCM,NUXDOJPLSMOYCM-UHFFFAOYSA-N,"InChI=1S/C19H24O4/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,20-22H,8-9H2,1-3H3","""AuxInfo=1/0/N:15,22,1,11,5,10,4,13,20,17,18,14,21,12,6,19,7,8,3,16,23,9,2/rA:23COCCCCCCOCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s14;s7d12;s6;s3d18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-NUXDOJPLSMOYCM_on_P47870_WT,Low,ChEMBL30,CHEMBL1814291,COc1ccc(-c2c(O)ccc(CC(C)O)c2)cc1CC(C)O,NUXDOJPLSMOYCM,NUXDOJPLSMOYCM-UHFFFAOYSA-N,"InChI=1S/C19H24O4/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,20-22H,8-9H2,1-3H3","""AuxInfo=1/0/N:15,22,1,11,5,10,4,13,20,17,18,14,21,12,6,19,7,8,3,16,23,9,2/rA:23COCCCCCCOCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s14;s7d12;s6;s3d18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-NUXNKKUXSDGYTN_on_P14867_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165;CHEMBL3058332,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7,2000;1998;2004,0,0,0,1,0,,=,  7.310;  7.310;  7.310,7.31,0.0,0.0,3.0,7.31,0.0
-NUXNKKUXSDGYTN_on_P18507_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL823916;CHEMBL824296;CHEMBL822165;CHEMBL681248;CHEMBL682251;CHEMBL685338;CHEMBL681480;CHEMBL683047;CHEMBL3058332;CHEMBL3058327;CHEMBL3058331;CHEMBL3058330;CHEMBL3058328;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:10633039,2000;1998;1998;1998;2000;2000;1998;2000;1998;2004;2004;2004;2004;2004;2000,0,0,0,1,0,,=,  7.310;  7.820;  7.540;  7.310;  7.540;  7.820;  9.000;  9.000;  7.340;  7.310;  7.340;  7.540;  7.820;  9.000;  7.340,7.8020000000000005,0.626,0.16699999999999998,15.0,7.54,0.23
-NUXNKKUXSDGYTN_on_P28472_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL3058331;CHEMBL3058328;CHEMBL3058327;CHEMBL3058330;CHEMBL3058332;CHEMBL678329;CHEMBL685338;CHEMBL681248;CHEMBL682251;CHEMBL824296;CHEMBL822165;CHEMBL681480;CHEMBL823916;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039,1998;2004;2004;2004;2004;2004;2000;1998;2000;2000;1998;1998;2000;1998;2000,0,0,0,1,0,,=,  7.340;  7.540;  9.000;  7.340;  7.820;  7.310;  7.310;  9.000;  7.540;  7.820;  7.540;  7.310;  9.000;  7.820;  7.340,7.8020000000000005,0.626,0.16699999999999998,15.0,7.54,0.23
-NUXNKKUXSDGYTN_on_P31644_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL3058328;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;DOI:10.1007/s00044-004-0033-7;PMID:9767648,2000;2004;1998,0,0,0,1,0,,=,  9.000;  9.000;  9.000,9.0,0.0,0.0,3.0,9.0,0.0
-NUXNKKUXSDGYTN_on_P34903_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330;CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648,2004;2000;1998,0,0,0,1,0,,=,  7.820;  7.820;  7.820,7.82,0.0,0.0,3.0,7.82,0.0
-NUXNKKUXSDGYTN_on_P47869_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL3058331;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;DOI:10.1007/s00044-004-0033-7;PMID:9767648,2000;2004;1998,0,0,0,1,0,,=,  7.540;  7.540;  7.540,7.54,0.0,0.0,3.0,7.54,0.0
-NUXNKKUXSDGYTN_on_Q16445_WT,Low,ChEMBL30,CHEMBL336377,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,NUXNKKUXSDGYTN,NUXNKKUXSDGYTN-UHFFFAOYSA-N,"InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3","""AuxInfo=1/0/N:1,2,10,9,18,17,11,21,23,19,15,16,8,6,7,13,4,20,24,12,22,14,5,3/rA:24CCOCOCCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327;CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648,2004;2000;1998,0,0,0,1,0,,=,  7.340;  7.340;  7.340,7.34,0.0,0.0,3.0,7.34,0.0
-NVCCLRDMFCSDNW_on_P41594_WT,Medium,ChEMBL30,CHEMBL4108418;CHEMBL3942964,O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ccc(F)cn1,NVCCLRDMFCSDNW,NVCCLRDMFCSDNW-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O/c22-16-5-6-18(24-14-16)19(26)25-21-9-3-8-20(15-21,11-12-21)10-7-17-4-1-2-13-23-17/h1-2,4-6,13-14H,3,8-9,11-12,15H2,(H,25,26)","""AuxInfo=1/1/N:13,14,6,12,22,21,10,7,5,9,17,18,15,25,19,23,11,20,2,8,4,24,16,26,3,1/rA:26OCNCCCCCCCCCCCCNCCCCCCCFCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s4s17;s4s8;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  7.460;  7.960,7.71,0.25,0.25,2.0,7.71,0.25
-NVETZYIXXYETLA_on_P14867_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-NVETZYIXXYETLA_on_P18507_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864005;CHEMBL864003;CHEMBL864002;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.700;  9.280;  9.300;  9.470,9.437999999999999,0.16899999999999998,0.09699999999999999,4.0,9.385,0.095
-NVETZYIXXYETLA_on_P28472_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL864003;CHEMBL864005;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.470;  9.280;  9.700;  9.300,9.437999999999999,0.16899999999999998,0.09699999999999999,4.0,9.385,0.095
-NVETZYIXXYETLA_on_P31644_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-NVETZYIXXYETLA_on_P34903_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.470,9.47,0.0,0.0,1.0,9.47,0.0
-NVETZYIXXYETLA_on_P47869_WT,Low,ChEMBL30,CHEMBL381380,N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,NVETZYIXXYETLA,NVETZYIXXYETLA-UHFFFAOYSA-N,"InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,13,12,25,26,28,2,16,14,3,8,9,10,15,20,18,21,11,22,23,24,1,17,19,27/E:(22,23,24)/rA:28NCCCCCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s10;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL864003,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-NVGPGPCVXCVTBU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44404946;CHEMBL194508,CCOc1cc(-c2cncnc2)cnc1Nc1cccc(C)n1,NVGPGPCVXCVTBU,NVGPGPCVXCVTBU-UHFFFAOYSA-N,"InChI=1S/C17H17N5O/c1-3-23-15-7-13(14-8-18-11-19-9-14)10-20-17(15)22-16-6-4-5-12(2)21-16/h4-11H,3H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,19,20,18,5,8,12,13,10,21,6,7,4,17,15,9,11,14,23,16,3/E:(8,9)(18,19)/rA:23CCOCCCCCNCNCCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s4d14;s15;s16;d17;s18;d19;s20;s21;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  7.444;  7.440,7.442,0.002,0.002,2.0,7.442,0.002
-NVGWTIMTJOAYSJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108184,CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F,NVGWTIMTJOAYSJ,NVGWTIMTJOAYSJ-UHFFFAOYSA-N,"InChI=1S/C24H26F3N3O2/c1-5-31-21-12-17(6-7-19(21)24(25,26)27)23-29-22(18-10-14(2)28-15(3)11-18)20-8-9-32-16(4)13-30(20)23/h6-7,10-12,16H,5,8-9,13H2,1-4H3","""AuxInfo=1/0/N:1,13,16,23,2,26,27,19,20,11,17,5,24,12,15,22,6,10,28,18,4,9,7,29,30,31,32,14,8,25,3,21/E:(2,3)(10,11)(14,15)(25,26,27)/rA:32CCOCCCCNCCCCCNCCCCCCOCCCNCCCCFFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;d6;s26;s4d27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-NVHOOOQFDVIAGG_on_Q14416_WT,High,ChEMBL30,CHEMBL4109248,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,NVHOOOQFDVIAGG,NVHOOOQFDVIAGG-UHFFFAOYSA-N,"InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)","""AuxInfo=1/1/N:1,2,10,15,20,16,19,11,28,21,8,6,29,9,14,17,12,13,27,22,5,23,3,31,18,32,33,34,24,30,26,7,25,4/E:(4,5)(6,7)(26,27,28)/rA:34CCCOCCNCCCCCCCCCCFCCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-NVHOOOQFDVIAGG_on_Q14832_WT,High,ChEMBL30,CHEMBL4109248,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,NVHOOOQFDVIAGG,NVHOOOQFDVIAGG-UHFFFAOYSA-N,"InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)","""AuxInfo=1/1/N:1,2,10,15,20,16,19,11,28,21,8,6,29,9,14,17,12,13,27,22,5,23,3,31,18,32,33,34,24,30,26,7,25,4/E:(4,5)(6,7)(26,27,28)/rA:34CCCOCCNCCCCCCCCCCFCCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-NVHWNXLYJMDMAD_on_O15399_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_O60391_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_Q05586_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_Q12879_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_Q13224_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVHWNXLYJMDMAD_on_Q14957_WT,Low,ChEMBL30,CHEMBL33663,N=C(N)NN=Cc1cccc2c1cccc2,NVHWNXLYJMDMAD,NVHWNXLYJMDMAD-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)","""AuxInfo=1/1/N:15,14,9,16,10,8,13,6,11,7,12,2,1,3,5,4/E:(13,14)/rA:16NCNNNCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-NVJCHSUTTDBONN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3972482,NC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1,NVJCHSUTTDBONN,NVJCHSUTTDBONN-UHFFFAOYSA-N,"InChI=1S/C16H9ClF2N2O/c17-8-5-11(18)15(12(19)6-8)10-7-14(16(20)22)21-13-4-2-1-3-9(10)13/h1-7H,(H2,20,22)","""AuxInfo=1/1/N:18,19,17,20,10,13,5,11,16,6,8,14,21,4,7,2,12,9,15,1,22,3/E:(5,6)(11,12)(18,19)/rA:22NCOCCCCCFCCClCCFCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s8;d10;s11;s11;s7d13;s14;d6;s16;d17;s18;d19;s16s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-NVKBRZCXPYSEQB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3961828,CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cc2F)C1,NVKBRZCXPYSEQB,NVKBRZCXPYSEQB-UHFFFAOYSA-N,"InChI=1S/C19H17FN2O/c1-19(2)11-17(23)22(13-19)18-16(20)10-15(12-21-18)9-8-14-6-4-3-5-7-14/h3-7,10,12H,11,13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,20,4,10,23,14,11,21,5,8,2,22,9,7,6/E:(1,2)(4,5)(6,7)/rA:23CCCCCONCNCCCCCCCCCCCCFC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-NVOOWUNLHYTMSL_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2426608;CHEMBL2426608;53247225,O=C1c2c(CCN1c1ncccc1)nc(COc1ccccc1)s2,NVOOWUNLHYTMSL,NVOOWUNLHYTMSL-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2S/c22-18-17-14(9-11-21(18)15-8-4-5-10-19-15)20-16(24-17)12-23-13-6-2-1-3-7-13/h1-8,10H,9,11-12H2","""AuxInfo=1/0/N:21,20,22,12,11,19,23,13,5,10,6,16,18,4,8,15,3,2,9,14,7,1,17,24/E:(2,3)(6,7)/rA:24OCCCCCNCNCCCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s4;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s3s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PMID:23947773;PubChemAID:770257,2013;2013;2014,0,1;1;0,0,0,0;0;1,,=,  5.990;  5.990;  5.992,5.9910000000000005,0.001,0.001,3.0,5.99,0.0
-NVSYYYZZAXMLDE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3970688,NC(=O)c1cc(-c2ccc(F)cc2)c2cccc(F)c2n1,NVSYYYZZAXMLDE,NVSYYYZZAXMLDE-UHFFFAOYSA-N,"InChI=1S/C16H10F2N2O/c17-10-6-4-9(5-7-10)12-8-14(16(19)21)20-15-11(12)2-1-3-13(15)18/h1-8H,(H2,19,21)","""AuxInfo=1/1/N:16,15,17,8,13,9,12,5,7,10,14,6,18,4,20,2,11,19,1,21,3/E:(4,5)(6,7)/rA:21NCOCCCCCCCFCCCCCCCFCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;d17;s18;s14s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-NVTOYEYPMUMDHQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3949062,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1,NVTOYEYPMUMDHQ,NVTOYEYPMUMDHQ-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c1-22-18(17-10-11-17)14-23(20(22)24)19-12-9-16(13-21-19)8-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18H,10-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,8,23,24,7,18,20,12,9,22,21,6,3,19,2,5,4/E:(3,4)(5,6)(10,11)/rA:24CNCONCCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-NVWCZRPXYVDQEE_on_P14867_WT,High,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-NVWCZRPXYVDQEE_on_P18507_WT,Low,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NVWCZRPXYVDQEE_on_P28472_WT,Low,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-NVWCZRPXYVDQEE_on_P31644_WT,High,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-NVWCZRPXYVDQEE_on_P34903_WT,High,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-NVWCZRPXYVDQEE_on_P47869_WT,High,ChEMBL30,CHEMBL1783256,CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,NVWCZRPXYVDQEE,NVWCZRPXYVDQEE-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,15,2,23,22,24,17,16,3,21,18,11,25,12,13,26,10,7,5,27,4,9,8,6,19,14/rA:27CCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s19;s12d18;d11;s22;d23;s10s24;s7d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.300;  7.820,8.06,0.24,0.24,2.0,8.06,0.24
-NVYDWNUSCONKLU_on_Q14833_WT,Low,ChEMBL30,CHEMBL4087749,ON=c1cc(-c2cc3c(cccc3)o2)oc2c1cccc2,NVYDWNUSCONKLU,NVYDWNUSCONKLU-UHFFFAOYSA-N,"InChI=1S/C17H11NO3/c19-18-13-10-17(21-15-8-4-2-6-12(13)15)16-9-11-5-1-3-7-14(11)20-16/h1-10,19H","""AuxInfo=1/0/N:12,19,11,20,13,18,10,21,7,4,8,17,3,9,16,6,5,2,1,14,15/rA:21ONCCCCCCCCCCCOOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-NVYIGPPKIZFCPM_on_Q14833_WT,High,ChEMBL30,CHEMBL4238603,CC(C)COc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,NVYIGPPKIZFCPM,NVYIGPPKIZFCPM-UHFFFAOYSA-N,"InChI=1S/C18H20N6O/c1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16/h4-9,11H,10H2,1-3H3,(H2,20,21,22)","""AuxInfo=1/1/N:1,3,9,20,21,13,12,19,25,4,2,14,11,22,10,17,16,6,18,15,23,24,7,8,5/E:(1,2)/rA:25CCCCOCNNCCCCCCNCCNCCCCNNC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s17s21;d22;s16s23;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-NWAITTARKSRCQX_on_P41594_WT,Low,ChEMBL30,CHEMBL1784061,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(F)cc2)c1=O,NWAITTARKSRCQX,NWAITTARKSRCQX-UHFFFAOYSA-N,"InChI=1S/C18H14FN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,22,5,11,9,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCNSCCNCNCCCCFCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NWAITTARKSRCQX_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784061;54582943,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(F)cc2)c1=O,NWAITTARKSRCQX,NWAITTARKSRCQX-UHFFFAOYSA-N,"InChI=1S/C18H14FN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,22,5,11,9,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCNSCCNCNCCCCFCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.970;  7.971,7.97,0.001,0.001,2.0,7.97,0.001
-NWFQFZGGFRIRHY_on_P41594_WT,Low,ChEMBL30,CHEMBL1784052,C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,NWFQFZGGFRIRHY,NWFQFZGGFRIRHY-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2S/c1-4-11-23(2)15-9-10-21-19-16(15)17-18(27-19)20(25)24(12-22-17)13-5-7-14(26-3)8-6-13/h1,5-10,12H,11H2,2-3H3","""AuxInfo=1/0/N:1,5,23,2,19,25,20,24,11,10,3,16,18,21,6,7,14,13,8,26,9,15,4,17,27,22,12/E:(5,6)(7,8)/rA:27CCCNCCCCNCCSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-NWFQFZGGFRIRHY_on_Q13255_WT,High,ChEMBL30,CHEMBL1784052,C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,NWFQFZGGFRIRHY,NWFQFZGGFRIRHY-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2S/c1-4-11-23(2)15-9-10-21-19-16(15)17-18(27-19)20(25)24(12-22-17)13-5-7-14(26-3)8-6-13/h1,5-10,12H,11H2,2-3H3","""AuxInfo=1/0/N:1,5,23,2,19,25,20,24,11,10,3,16,18,21,6,7,14,13,8,26,9,15,4,17,27,22,12/E:(5,6)(7,8)/rA:27CCCNCCCCNCCSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-NWGKQRBTWLCEFA_on_Q13224_WT,High,ChEMBL30,CHEMBL3357792;CHEMBL3357791,c1ccc(C2CCC(NC3CCc4c(cccc4)CC3)CC2)cc1,NWGKQRBTWLCEFA,NWGKQRBTWLCEFA-UHFFFAOYSA-N,"InChI=1S/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2","""AuxInfo=1/0/N:1,2,24,16,17,3,23,15,18,19,12,6,22,20,11,7,21,4,14,13,5,10,8,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:24CCCCCCCCNCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s14;s10s19;s8;s5s21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  8.240;  8.640,8.44,0.2,0.2,2.0,8.44,0.2
-NWIRUHKMLLCBHB_on_P41594_WT,Low,ChEMBL30,CHEMBL208351,Clc1ccc(Nc2ccnc(-c3ccccn3)n2)cc1,NWIRUHKMLLCBHB,NWIRUHKMLLCBHB-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4/c16-11-4-6-12(7-5-11)19-14-8-10-18-15(20-14)13-3-1-2-9-17-13/h1-10H,(H,18,19,20)","""AuxInfo=1/1/N:14,15,13,3,20,4,19,8,16,9,2,5,12,7,11,1,17,10,6,18/E:(4,5)(6,7)/rA:20ClCCCCNCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NWISFAOEVAKRIO_on_P41594_WT,High,ChEMBL30,CHEMBL3086714,COC(=O)N1CC2CCCC(O)(C#Cc3cccc(C)c3)C2C1,NWISFAOEVAKRIO,NWISFAOEVAKRIO-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(11-14)8-10-19(22)9-4-7-16-12-20(13-17(16)19)18(21)23-2/h3,5-6,11,16-17,22H,4,7,9,12-13H2,1-2H3","""AuxInfo=1/0/N:20,1,17,9,18,16,8,14,10,13,21,6,23,19,15,7,22,3,11,5,4,12,2/rA:23COCONCCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;s15d19;s7s11;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-NWMNEKFPSYTSOT_on_P41594_WT,Medium,ChEMBL30,CHEMBL186089,c1cnc(-c2nn(-c3ccc(Oc4cnccc4)cc3)nn2)cc1,NWMNEKFPSYTSOT,NWMNEKFPSYTSOT-UHFFFAOYSA-N,InChI=1S/C17H12N6O/c1-2-11-19-16(5-1)17-20-22-23(21-17)13-6-8-14(9-7-13)24-15-4-3-10-18-12-15/h1-12H,"""AuxInfo=1/0/N:24,1,17,18,23,9,20,10,19,16,2,14,8,11,13,4,5,15,3,22,6,21,7,12/E:(6,7)(8,9)/rA:24CCNCCNNCCCCOCCNCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11;s8d19;s7;s5d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-NWMOCZOEEKVAHO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3962872,CN1CC(C)(C)CN(c2ccc(C#Cc3ccccc3)cn2)C1=O,NWMOCZOEEKVAHO,NWMOCZOEEKVAHO-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-20(2)14-22(3)19(24)23(15-20)18-12-11-17(13-21-18)10-9-16-7-5-4-6-8-16/h4-8,11-13H,14-15H2,1-3H3","""AuxInfo=1/0/N:5,6,1,18,17,19,16,20,14,13,11,10,21,3,7,15,12,9,23,4,22,2,8,24/E:(1,2)(5,6)(7,8)/rA:24CNCCCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;s4;s4;s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s2s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-NWMXUWGTUPIHCX_on_P31644_WT,High,ChEMBL30,CHEMBL3681415,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccc(F)cc2)no1,NWMXUWGTUPIHCX,NWMXUWGTUPIHCX-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O3/c1-12-17(19(24-27-12)13-2-5-15(21)6-3-13)11-26-18-9-4-14(10-22-18)20(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,20,25,8,21,24,14,15,7,16,4,2,19,9,22,13,3,6,18,10,23,17,12,26,11,5,27/E:(2,3)(5,6)(7,8)/rA:27CCCCOCCCCCONCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-NWNHXWIPOLXCLG_on_O15399_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_O60391_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWNHXWIPOLXCLG_on_Q14957_WT,Low,ChEMBL30,CHEMBL1179932,COc1c(C=NN=C(N)N)cccc1,NWNHXWIPOLXCLG,NWNHXWIPOLXCLG-UHFFFAOYSA-N,"InChI=1S/C9H12N4O/c1-14-8-5-3-2-4-7(8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,12,13,11,14,5,4,3,8,9,10,6,7,2/E:(10,11)/rA:14COCCCNNCNNCCCC/rB:s1;s2;d3;s4;w?5;s6;w?7;s8;s8;s4;d11;s12;s3d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-NWPJOIRNUVSDJE_on_O15303_WT,High,ChEMBL30,CHEMBL579009,CCOC(=O)c1c(N=C=S)sc(-c2ccccc2)c1C,NWPJOIRNUVSDJE,NWPJOIRNUVSDJE-UHFFFAOYSA-N,"InChI=1S/C15H13NO2S2/c1-3-18-15(17)12-10(2)13(20-14(12)16-9-19)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3","""AuxInfo=1/0/N:1,20,2,16,15,17,14,18,9,19,13,6,12,7,4,8,5,3,10,11/E:(5,6)(7,8)/rA:20CCOCOCCNCSSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;d9;s7;s11;s12;d13;s14;d15;s16;s13d17;s6d12;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-NWROJBFLURCECX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL202203;11579421,Cc1nc(C#Cc2ccc(F)cn2)cs1,NWROJBFLURCECX,NWROJBFLURCECX-UHFFFAOYSA-N,"InChI=1S/C11H7FN2S/c1-8-14-11(7-15-8)5-4-10-3-2-9(12)6-13-10/h2-3,6-7H,1H3","""AuxInfo=1/0/N:1,9,8,6,5,12,14,2,10,7,4,11,13,3,15/rA:15CCNCCCCCCCFCNCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  5.960;  5.961,5.96,0.001,0.001,2.0,5.96,0.001
-NWVVHEJDDXZFDG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113439,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(Cl)c3)n2)cc(C)n1,NWVVHEJDDXZFDG,NWVVHEJDDXZFDG-UHFFFAOYSA-N,"InChI=1S/C21H21ClFN3O/c1-12-8-16(9-13(2)24-12)20-19-6-7-27-14(3)11-26(19)21(25-20)15-4-5-18(23)17(22)10-15/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,26,11,16,17,7,8,3,24,22,12,2,25,10,15,4,20,18,6,5,14,21,19,27,23,13,9/E:(1,2)(8,9)(12,13)/rA:27CCCCCCCCOCCCNCCCCCFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-NXCMSLDZYALNKL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3892899,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,NXCMSLDZYALNKL,NXCMSLDZYALNKL-UHFFFAOYSA-N,"InChI=1S/C25H23F3N4O3/c1-3-24(34,25(26,27)28)22-13-32(14-30-22)12-15-4-9-18-19(16-5-7-17(35-2)8-6-16)11-21(23(29)33)31-20(18)10-15/h4-11,13-14,34H,3,12H2,1-2H3,(H2,29,33)","""AuxInfo=1/1/N:1,19,2,10,15,21,16,20,11,29,22,8,6,30,9,14,17,12,13,28,23,5,24,3,32,33,34,35,25,31,27,7,26,4,18/E:(5,6)(7,8)(26,27,28)/rA:35CCCOCCNCCCCCCCCCCOCCCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;d13;s22;s23;s24;d24;d23;s12s27;s9d28;s7;s5d30;s3;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-NXMBZAOBLFQBGM_on_P41594_WT,Low,ChEMBL30,CHEMBL247888,O=C(Nc1ccccc1Cl)c1cccc2c1nc(O)o2,NXMBZAOBLFQBGM,NXMBZAOBLFQBGM-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O3/c15-9-5-1-2-6-10(9)16-13(18)8-4-3-7-11-12(8)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:7,6,13,12,8,5,14,11,9,4,15,16,2,18,10,3,17,1,19,20/rA:20OCNCCCCCCClCCCCCCNCOO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s2;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-NXMGTJOJPFRFER_on_Q13255_WT,High,ChEMBL30,CHEMBL429635,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)sc(S)n3)c2=O)cc1,NXMGTJOJPFRFER,NXMGTJOJPFRFER-UHFFFAOYSA-N,"InChI=1S/C17H10N4OS3/c1-8-2-4-9(5-3-8)21-7-19-13-11-12-10(24-17(23)20-12)6-18-15(11)25-14(13)16(21)22/h2-7H,1H3,(H,20,23)","""AuxInfo=1/1/N:1,3,25,4,24,16,7,2,5,15,13,14,9,10,12,22,19,17,8,21,6,23,20,18,11/E:(2,3)(4,5)/rA:25CCCCCNCNCCSCCCCCNSCSNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s14d19;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-NXOIRIOKSFLYAD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947810,CN1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C,NXOIRIOKSFLYAD,NXOIRIOKSFLYAD-UHFFFAOYSA-N,"InChI=1S/C19H18F2N4O/c1-19(2)8-9-25(18(26)24(19)3)17-22-11-13(12-23-17)4-5-14-10-15(20)6-7-16(14)21/h6-7,10-12H,8-9H2,1-3H3","""AuxInfo=1/0/N:25,26,1,10,11,16,17,23,22,13,8,20,9,12,14,18,6,3,24,15,19,7,21,2,5,4/E:(1,2)(11,12)(22,23)/rA:26CNCONCNCCCCCCCFCCCFCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s18;s9;s6d20;s5;s22;s2s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-NXOZYYDDIRJEFI_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013202,CN(C)Cc1c(O)ccc2c1nc(-c1ccccc1)[nH]2,NXOZYYDDIRJEFI,NXOZYYDDIRJEFI-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-19(2)10-12-14(20)9-8-13-15(12)18-16(17-13)11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,17,16,18,15,19,9,8,4,14,5,10,6,11,13,20,12,2,7/E:(1,2)(4,5)(6,7)/rA:20CNCCCCOCCCCNCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;s5d10;s11;d12;s13;d14;s15;d16;s17;s14d18;s10s13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-NXOZYYDDIRJEFI_on_Q13224_WT,High,ChEMBL30,CHEMBL2013202,CN(C)Cc1c(O)ccc2c1nc(-c1ccccc1)[nH]2,NXOZYYDDIRJEFI,NXOZYYDDIRJEFI-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-19(2)10-12-14(20)9-8-13-15(12)18-16(17-13)11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,17,16,18,15,19,9,8,4,14,5,10,6,11,13,20,12,2,7/E:(1,2)(4,5)(6,7)/rA:20CNCCCCOCCCCNCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;s5d10;s11;d12;s13;d14;s15;d16;s17;s14d18;s10s13;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-NXVDYKREFBFBOW_on_P41594_WT,Low,ChEMBL30,CHEMBL255206,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C(=O)O)ccc2)n1,NXVDYKREFBFBOW,NXVDYKREFBFBOW-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2/c1-11-9-23-10-14(18(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-13(7-12)17(24)25/h2-4,7-10H,1H3,(H,24,25)","""AuxInfo=1/1/N:1,23,24,22,15,14,17,11,3,5,2,16,18,6,13,12,19,7,8,9,10,25,4,20,21/E:(19,20,21)(24,25)/rA:25CCCNCCCFFFCCCCCCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;d19;s19;d18;s22;s16d23;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-NXWYICVCGHHJOR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289403,COc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,NXWYICVCGHHJOR,NXWYICVCGHHJOR-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,13,17,21,15,4,5,9,12,10,8,22,16,7,3,6,23,11,24,2/E:(3,4)(7,8)/rA:24COCCCCCCCCNCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s6s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292492;CHEMBL1292494;CHEMBL4045543,PMID:20965739,2010.0,PMID:20965739;PMID:20965739;PMID:28797770,2010;2010;2017,1;0;0,0,0,0;1;1,0,,=,  6.440;  8.270;  6.150,6.952999999999999,0.9390000000000001,0.664,3.0,6.44,0.29
-NXWYICVCGHHJOR_on_Q13224_WT,High,ChEMBL30,CHEMBL1289403,COc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O,NXWYICVCGHHJOR,NXWYICVCGHHJOR-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-24-19-10-11-20-18(15-19)12-14-22(16-21(20)23)13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,21,23H,5-6,9,12-14,16H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,13,17,21,15,4,5,9,12,10,8,22,16,7,3,6,23,11,24,2/E:(3,4)(7,8)/rA:24COCCCCCCCCNCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s6s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297;CHEMBL4349901,PMID:20965739,2010.0,PMID:25458498;PMID:31255496,2014;2019,0,0,0,1,0,,=,  8.270;  6.150,7.21,1.06,1.06,2.0,7.21,1.06
-NXXYKOUNUYWIHA_on_P14867_WT,Low,ChEMBL30,CHEMBL30106,Cc1cccc(C)c1O,NXXYKOUNUYWIHA,NXXYKOUNUYWIHA-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3","""AuxInfo=1/0/N:1,7,4,3,5,2,6,8,9/E:(1,2)(4,5)(6,7)/rA:9CCCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.700;  3.900,3.8,0.1,0.1,2.0,3.8,0.1
-NXXYKOUNUYWIHA_on_P18507_WT,Low,ChEMBL30,CHEMBL30106,Cc1cccc(C)c1O,NXXYKOUNUYWIHA,NXXYKOUNUYWIHA-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3","""AuxInfo=1/0/N:1,7,4,3,5,2,6,8,9/E:(1,2)(4,5)(6,7)/rA:9CCCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.700;  3.900,3.8,0.1,0.1,2.0,3.8,0.1
-NXXYKOUNUYWIHA_on_P47870_WT,Low,ChEMBL30,CHEMBL30106,Cc1cccc(C)c1O,NXXYKOUNUYWIHA,NXXYKOUNUYWIHA-UHFFFAOYSA-N,"InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3","""AuxInfo=1/0/N:1,7,4,3,5,2,6,8,9/E:(1,2)(4,5)(6,7)/rA:9CCCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.900;  3.700,3.8,0.1,0.1,2.0,3.8,0.1
-NYARGDZLYTVVRO_on_Q13255_WT,High,ChEMBL30,CHEMBL3422884,N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1cccc(F)c1)C2,NYARGDZLYTVVRO,NYARGDZLYTVVRO-UHFFFAOYSA-N,"InChI=1S/C22H18FN3OS/c23-17-8-4-7-16(11-17)22(27)26-10-9-18-19(12-24)21(28-20(18)14-26)25-13-15-5-2-1-3-6-15/h1-8,11,25H,9-10,13-14H2","""AuxInfo=1/0/N:10,9,11,23,8,12,22,24,16,17,27,2,6,28,7,21,25,15,3,14,4,19,26,1,5,18,20,13/E:(2,3)(5,6)/rA:28NCCCNCCCCCCCSCCCCNCOCCCCCFCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s3d14;s15;s16;s17;s18;d19;s19;d21;s22;d23;s24;s25;s21d25;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-NYBZCKAQIIPSDS_on_O00222_WT,High,ChEMBL30,CHEMBL4160748,COc1ccc(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1F,NYBZCKAQIIPSDS,NYBZCKAQIIPSDS-UHFFFAOYSA-N,"InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3","""AuxInfo=1/0/N:11,21,1,5,4,12,10,20,6,3,13,7,22,24,8,14,23,25,15,16,17,9,19,18,2/E:(19,20,21)/rA:25COCCCCCCNCCCCCFFFNNCCCFCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s8s13;s18;s7d19;s20;s6;s22;s3d22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4369696,PMID:30881607,2019.0,PMID:30881607,2019,0,1,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-NYBZCKAQIIPSDS_on_Q14831_WT,High,ChEMBL30,CHEMBL4160748,COc1ccc(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1F,NYBZCKAQIIPSDS,NYBZCKAQIIPSDS-UHFFFAOYSA-N,"InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3","""AuxInfo=1/0/N:11,21,1,5,4,12,10,20,6,3,13,7,22,24,8,14,23,25,15,16,17,9,19,18,2/E:(19,20,21)/rA:25COCCCCCCNCCCCCFFFNNCCCFCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s8s13;s18;s7d19;s20;s6;s22;s3d22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4369689,PMID:30881607,2019.0,PMID:30881607,2019,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-NYDKXJPCFKVTFU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109555;CHEMBL3921588;CHEMBL3970507,NC(=O)c1cc(-c2cn(CF)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,NYDKXJPCFKVTFU,NYDKXJPCFKVTFU-UHFFFAOYSA-N,"InChI=1S/C20H19F4N5O2/c21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)","""AuxInfo=1/1/N:16,15,20,21,29,5,13,18,8,28,10,17,7,14,6,30,4,23,2,24,11,25,26,27,1,12,31,19,9,3,22/E:(22,23,24)/rA:31NCOCCCCCNCFNCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;s10;s9;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.050;  7.820;  7.820,7.897,0.10800000000000001,0.077,3.0,7.82,0.0
-NYDUFWZZLKDRLO_on_Q14833_WT,High,ChEMBL30,CHEMBL1672241,O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1)c1ncccc1,NYDUFWZZLKDRLO,NYDUFWZZLKDRLO-UHFFFAOYSA-N,"InChI=1S/C19H13ClFN3O2/c20-14-6-2-1-5-13(14)18(25)24-16-9-8-12(11-15(16)21)23-19(26)17-7-3-4-10-22-17/h1-11H,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:13,14,25,24,12,15,26,5,6,23,20,4,11,16,18,7,21,9,2,17,19,22,3,8,10,1/rA:26OCNCCCCNCOCCCCCCClCFCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s4d18;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PubChemAID:2197,2009.0,PMID:21247167,2011,0,1,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-NYDVTBHNZHBCKX_on_P41594_WT,High,ChEMBL30,CHEMBL568443,CCCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O,NYDVTBHNZHBCKX,NYDVTBHNZHBCKX-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3","""AuxInfo=1/0/N:1,13,2,20,21,9,8,19,3,24,5,12,10,6,7,15,11,16,25,17,18,23,22,4,14,26/rA:26CCCNCCCCCCCCCNCCFNCCCNNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s14;s11d22;s6d10;s4s7;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1038284,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-NYDVTBHNZHBCKX_on_Q13255_WT,High,ChEMBL30,CHEMBL568443,CCCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O,NYDVTBHNZHBCKX,NYDVTBHNZHBCKX-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3","""AuxInfo=1/0/N:1,13,2,20,21,9,8,19,3,24,5,12,10,6,7,15,11,16,25,17,18,23,22,4,14,26/rA:26CCCNCCCCCCCCCNCCFNCCCNNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s14;s11d22;s6d10;s4s7;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-NYGIDCPRCCBVFG_on_P41594_WT,High,ChEMBL30,CHEMBL401652,Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2F)n1,NYGIDCPRCCBVFG,NYGIDCPRCCBVFG-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O/c1-15-13-25-14-17(21(26)24-10-4-5-11-24)12-20(25)19(23-15)9-8-16-6-2-3-7-18(16)22/h2-3,6-7,12-14H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,21,22,11,12,20,23,18,17,10,13,14,3,5,2,19,6,24,16,15,7,25,26,9,4,8/E:(4,5)(10,11)/rA:26CCCNCCCONCCCCCCCCCCCCCCCFN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s6;s4d14;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-NYHQSWXKALTJCU_on_P14867_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.800;  5.800,5.8,0.0,0.0,2.0,5.8,0.0
-NYHQSWXKALTJCU_on_P18507_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL682251;CHEMBL683047;CHEMBL685338;CHEMBL822165;CHEMBL824296;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  5.530;  5.800;  5.540;  6.780;  5.560;  5.530;  6.780;  5.800;  5.540;  5.560,5.8420000000000005,0.48,0.16,10.0,5.56,0.03
-NYHQSWXKALTJCU_on_P28472_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL822165;CHEMBL824296;CHEMBL681480;CHEMBL681248;CHEMBL678329;CHEMBL683047;CHEMBL683045;CHEMBL682251;CHEMBL685338,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648,1998;1998;1998;2000;2000;2000;1998;2000;2000;1998,0,0,0,1,0,,=,  5.560;  5.800;  5.540;  6.780;  5.540;  5.800;  5.530;  5.530;  5.560;  6.780,5.8420000000000005,0.48,0.16,10.0,5.56,0.03
-NYHQSWXKALTJCU_on_P31644_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.780;  6.780,6.78,0.0,0.0,2.0,6.78,0.0
-NYHQSWXKALTJCU_on_P34903_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.560;  5.560,5.56,0.0,0.0,2.0,5.56,0.0
-NYHQSWXKALTJCU_on_P47869_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-NYHQSWXKALTJCU_on_Q16445_WT,Low,ChEMBL30,CHEMBL43724,CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,NYHQSWXKALTJCU,NYHQSWXKALTJCU-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3","""AuxInfo=1/0/N:1,11,2,3,4,17,16,20,9,22,18,14,15,8,5,7,12,19,23,10,21,6,13/rA:23CCCCCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s18;s14d18;s8s15;s21;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.530;  5.530,5.53,0.0,0.0,2.0,5.53,0.0
-NYLXQRWSONTNGT_on_P18507_WT,Low,ChEMBL30,CHEMBL568847,Cc1c2Cn3cc(CO)nc3-c3c(ccc(Br)c3)-n2cn1,NYLXQRWSONTNGT,NYLXQRWSONTNGT-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4O/c1-9-14-6-19-5-11(7-21)18-15(19)12-4-10(16)2-3-13(12)20(14)8-17-9/h2-5,8,21H,6-7H2,1H3","""AuxInfo=1/0/N:1,15,14,18,6,4,8,20,2,16,7,12,13,3,11,17,21,10,5,19,9/rA:21CCCCNCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s7;s5d10;s11;d12;s13;d14;s15;s16;s12d16;s3s13;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-NYLXQRWSONTNGT_on_P28472_WT,Low,ChEMBL30,CHEMBL568847,Cc1c2Cn3cc(CO)nc3-c3c(ccc(Br)c3)-n2cn1,NYLXQRWSONTNGT,NYLXQRWSONTNGT-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4O/c1-9-14-6-19-5-11(7-21)18-15(19)12-4-10(16)2-3-13(12)20(14)8-17-9/h2-5,8,21H,6-7H2,1H3","""AuxInfo=1/0/N:1,15,14,18,6,4,8,20,2,16,7,12,13,3,11,17,21,10,5,19,9/rA:21CCCCNCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s7;s5d10;s11;d12;s13;d14;s15;s16;s12d16;s3s13;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-NYLXQRWSONTNGT_on_P31644_WT,Low,ChEMBL30,CHEMBL568847,Cc1c2Cn3cc(CO)nc3-c3c(ccc(Br)c3)-n2cn1,NYLXQRWSONTNGT,NYLXQRWSONTNGT-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4O/c1-9-14-6-19-5-11(7-21)18-15(19)12-4-10(16)2-3-13(12)20(14)8-17-9/h2-5,8,21H,6-7H2,1H3","""AuxInfo=1/0/N:1,15,14,18,6,4,8,20,2,16,7,12,13,3,11,17,21,10,5,19,9/rA:21CCCCNCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s7;s5d10;s11;d12;s13;d14;s15;s16;s12d16;s3s13;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-NYNHZOFZAMITQY_on_Q14833_WT,High,ChEMBL30,CHEMBL578129,O=C(O)C1CC=CCC1C(=O)Nc1cc(Cl)cc(Cl)c1,NYNHZOFZAMITQY,NYNHZOFZAMITQY-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h1-2,5-7,11-12H,3-4H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:7,6,8,5,17,14,20,15,18,13,9,4,10,2,16,19,12,11,1,3/E:(6,7)(8,9)(15,16)(19,20)/rA:20OCOCCCCCCCONCCCClCCClC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-NYPIBVQWIWWODX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL212129;11345906,Cc1nc(C#CCOc2ccc(Cl)cc2)ccc1,NYPIBVQWIWWODX,NYPIBVQWIWWODX-UHFFFAOYSA-N,"InChI=1S/C15H12ClNO/c1-12-4-2-5-14(17-12)6-3-11-18-15-9-7-13(16)8-10-15/h2,4-5,7-10H,11H2,1H3","""AuxInfo=1/0/N:1,17,6,18,16,5,11,14,10,15,7,2,12,4,9,13,3,8/E:(7,8)(9,10)/rA:18CCNCCCCOCCCCClCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  6.990;  6.991,6.99,0.0,0.0,2.0,6.99,0.0
-NYPIUPDLYFZFBF_on_P41594_WT,High,ChEMBL30,CHEMBL2426617,CCN1CCc2c(sc(COc3ccccc3)n2)C1=O,NYPIUPDLYFZFBF,NYPIUPDLYFZFBF-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2S/c1-2-17-9-8-12-14(15(17)18)20-13(16-12)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,5,4,10,12,6,9,7,19,18,3,20,11,8/E:(4,5)(6,7)/rA:20CCNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s6d9;s3s7;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-NYSIDYLITOVDQF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893321,CC(C)(C)C1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,NYSIDYLITOVDQF,NYSIDYLITOVDQF-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-20(2,3)17-14-22(19(23)24-17)18-12-11-16(13-21-18)10-9-15-7-5-4-6-8-15/h4-8,11-13,17H,14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,16,18,15,19,13,12,10,9,20,6,14,11,5,8,22,2,21,7,23,24/E:(1,2,3)(5,6)(7,8)/rA:24CCCCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;d22;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-NZDIZJGEDFARSV_on_O15303_WT,Medium,ChEMBL30,CHEMBL107768;CHEMBL315268,Cc1c(CCC(N)C(=O)O)c(O)no1,NZDIZJGEDFARSV,NZDIZJGEDFARSV-UHFFFAOYSA-N,"InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:1,4,5,2,3,6,11,8,7,13,12,9,10,14/E:(12,13)/rA:14CCCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s6;s6;d8;s8;s3;s11;d11;s2s13;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL712215;CHEMBL718130,PMID:8759641,1996.0,PMID:8759641;PMID:10893301,1996;2000,0,1;0,0,0;1,0,,=,  4.090;  4.240,4.165,0.075,0.075,2.0,4.165,0.075
-NZHWBWVBWDOSJY_on_P41594_WT,High,ChEMBL30,CHEMBL63042,Cc1nc(C#Cc2ccccc2)cs1,NZHWBWVBWDOSJY,NZHWBWVBWDOSJY-UHFFFAOYSA-N,"InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,6,5,13,2,7,4,3,14/E:(3,4)(5,6)/rA:14CCNCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:12519057,2003.0,PMID:15225713,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-NZIAWZMKNDMQTN_on_P14867_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-NZIAWZMKNDMQTN_on_P18507_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685337;CHEMBL823761;CHEMBL822162,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.490;  6.530;  7.810,6.943,0.613,0.433,3.0,6.53,0.04
-NZIAWZMKNDMQTN_on_P28472_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823761;CHEMBL685337;CHEMBL822162,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.530;  6.490;  7.810,6.943,0.613,0.433,3.0,6.53,0.04
-NZIAWZMKNDMQTN_on_P31644_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-NZIAWZMKNDMQTN_on_P34903_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-NZIAWZMKNDMQTN_on_Q16445_WT,Low,ChEMBL30,CHEMBL87538,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC,NZIAWZMKNDMQTN,NZIAWZMKNDMQTN-UHFFFAOYSA-N,"InChI=1S/C27H24N2O4/c1-3-32-27(30)26-22(16-31-2)25-21-13-19(11-12-23(21)29-24(25)14-28-26)33-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-14,29H,3,15-16H2,1-2H3","""AuxInfo=1/0/N:1,33,2,23,24,19,22,20,18,25,27,28,13,8,16,31,21,17,14,26,12,30,11,9,29,6,4,7,10,5,32,3,15/rA:33CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-NZIOSFAHAYLFRF_on_O00222_WT,High,ChEMBL30,CHEMBL4067923,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])o1)C(=O)O,NZIOSFAHAYLFRF,NZIOSFAHAYLFRF-UHFFFAOYSA-N,"InChI=1S/C9H13N2O8P/c10-5(8(12)13)3-4-20(17,18)9(14)6-1-2-7(19-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,17,5/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-OCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-NZIOSFAHAYLFRF_on_O15303_WT,High,ChEMBL30,CHEMBL4067923,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])o1)C(=O)O,NZIOSFAHAYLFRF,NZIOSFAHAYLFRF-UHFFFAOYSA-N,"InChI=1S/C9H13N2O8P/c10-5(8(12)13)3-4-20(17,18)9(14)6-1-2-7(19-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,17,5/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-OCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-NZIOSFAHAYLFRF_on_Q14833_WT,High,ChEMBL30,CHEMBL4067923,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])o1)C(=O)O,NZIOSFAHAYLFRF,NZIOSFAHAYLFRF-UHFFFAOYSA-N,"InChI=1S/C9H13N2O8P/c10-5(8(12)13)3-4-20(17,18)9(14)6-1-2-7(19-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,17,5/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-OCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-NZJPQHNBSVEQFL_on_P41594_WT,High,ChEMBL30,CHEMBL4083286,O=C(c1cc(Cl)ccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,NZJPQHNBSVEQFL,NZJPQHNBSVEQFL-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-12-3-1-2-11(8-12)18(24)23-7-6-16-15(10-23)22-17(25-16)14-5-4-13(20)9-21-14/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:8,9,7,20,19,12,11,4,23,15,3,5,21,18,14,13,17,2,6,22,24,16,10,1,25/rA:25OCCCCClCCCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-NZLYIRGKYBTHNX_on_P41594_WT,High,ChEMBL30,CHEMBL2011878,Cc1c(NC(=O)C2CC2C)snc1-c1cc(Cl)c(Cl)cc1,NZLYIRGKYBTHNX,NZLYIRGKYBTHNX-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)","""AuxInfo=1/1/N:10,1,21,20,8,15,9,2,14,7,18,16,13,5,3,19,17,4,12,6,11/rA:21CCCNCOCCCCSNCCCCClCClCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;s16;d16;s18;s18;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-NZLYIRGKYBTHNX_on_Q13255_WT,High,ChEMBL30,CHEMBL2011878,Cc1c(NC(=O)C2CC2C)snc1-c1cc(Cl)c(Cl)cc1,NZLYIRGKYBTHNX,NZLYIRGKYBTHNX-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)","""AuxInfo=1/1/N:10,1,21,20,8,15,9,2,14,7,18,16,13,5,3,19,17,4,12,6,11/rA:21CCCNCOCCCCSNCCCCClCClCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;s16;d16;s18;s18;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-NZMJFRXKGUCYNP_on_P14867_WT,High,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:15084116,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-NZMJFRXKGUCYNP_on_P18507_WT,Low,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677037;CHEMBL829844;CHEMBL829845;CHEMBL829843;CHEMBL682712;CHEMBL680435;CHEMBL829842;CHEMBL682082,PMID:15537339,2004.0,PMID:15084116;PMID:15537339;PMID:15537339;PMID:15537339;PMID:15084116;PMID:15084116;PMID:15537339;PMID:15084116,2004,0,0,0,1,0,,=,  9.060;  9.210;  9.180;  9.240;  9.240;  9.210;  9.060;  9.180,9.172,0.068,0.026000000000000002,8.0,9.195,0.03
-NZMJFRXKGUCYNP_on_P28472_WT,Low,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680435;CHEMBL682082;CHEMBL682712;CHEMBL677037;CHEMBL829845;CHEMBL829843;CHEMBL829844;CHEMBL829842,PMID:15537339,2004.0,PMID:15084116;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15537339;PMID:15537339;PMID:15537339;PMID:15537339,2004,0,0,0,1,0,,=,  9.210;  9.180;  9.240;  9.060;  9.180;  9.240;  9.210;  9.060,9.172,0.068,0.026000000000000002,8.0,9.195,0.03
-NZMJFRXKGUCYNP_on_P31644_WT,High,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:15084116,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.180,9.18,0.0,0.0,1.0,9.18,0.0
-NZMJFRXKGUCYNP_on_P34903_WT,High,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:15084116,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-NZMJFRXKGUCYNP_on_P47869_WT,High,ChEMBL30,CHEMBL306422,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1,NZMJFRXKGUCYNP,NZMJFRXKGUCYNP-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,21,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,23,7,6,24,26,22,20,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNCNNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s20;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:15084116,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.240,9.24,0.0,0.0,1.0,9.24,0.0
-NZMJQXONLWEBCO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL483751,CC1CN(Cc2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1,NZMJQXONLWEBCO,NZMJQXONLWEBCO-UHFFFAOYSA-N,"InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3","""AuxInfo=1/0/N:1,7,19,8,18,12,11,15,3,5,2,6,9,13,10,16,20,14,17,4,21,22/E:(2,3)(4,5)/rA:22CCCNCCCCCCCCCFCCFCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-NZOLSRPWNVZXTK_on_O15399_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_O60391_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_Q05586_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_Q12879_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_Q13224_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZOLSRPWNVZXTK_on_Q14957_WT,Low,ChEMBL30,CHEMBL443286,CNC12CC3CC(CC(C3)C1)C2,NZOLSRPWNVZXTK,NZOLSRPWNVZXTK-UHFFFAOYSA-N,"InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3","""AuxInfo=1/0/N:1,6,8,10,12,4,11,7,5,9,3,2/E:(2,3,4)(5,6,7)(8,9,10)/rA:12CNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-NZPDJEQFQMMJCR_on_P41594_WT,High,ChEMBL30,CHEMBL3702385,O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(I)ccc3,NZPDJEQFQMMJCR,NZPDJEQFQMMJCR-UHFFFAOYSA-N,"InChI=1S/C17H13IN2O2/c18-14-3-1-2-13-12(14)4-6-20-16(13)8-15(19-9-17(20)21)11-5-7-22-10-11/h1-3,5,7-8,10H,4,6,9H2","""AuxInfo=1/0/N:21,22,20,15,10,16,9,11,3,7,6,14,13,18,5,12,2,19,4,17,1,8/rA:22OCCNCCCOCCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;d6;s7;s8;s6d9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-NZPDJEQFQMMJCR_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702385,O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(I)ccc3,NZPDJEQFQMMJCR,NZPDJEQFQMMJCR-UHFFFAOYSA-N,"InChI=1S/C17H13IN2O2/c18-14-3-1-2-13-12(14)4-6-20-16(13)8-15(19-9-17(20)21)11-5-7-22-10-11/h1-3,5,7-8,10H,4,6,9H2","""AuxInfo=1/0/N:21,22,20,15,10,16,9,11,3,7,6,14,13,18,5,12,2,19,4,17,1,8/rA:22OCCNCCCOCCCCCCCCNCICCC/rB:d1;s2;s3;w?4;s5;d6;s7;s8;s6d9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-NZRVETUTLVXQTH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3914060,COc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1,NZRVETUTLVXQTH,NZRVETUTLVXQTH-UHFFFAOYSA-N,"InChI=1S/C16H14N4O4S/c1-24-13-5-7-14(8-6-13)25(22,23)20-11-12(10-18-20)19-16(21)15-4-2-3-9-17-15/h2-11H,1H3,(H,19,21)","""AuxInfo=1/1/N:1,18,19,17,4,25,5,24,20,22,11,12,3,6,16,14,21,23,13,10,15,8,9,2,7/E:(5,6)(7,8)(22,23)/CRV:25.6/rA:25COCCCCSOONCCNCOCCCCCNCNCC/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s10d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-NZUXOOCZCZKXSR_on_Q14833_WT,High,ChEMBL30,CHEMBL1830697,Cc1cc(-n2ncc3c2ncnc3N2CCCC(C)C2)cc(C)c1,NZUXOOCZCZKXSR,NZUXOOCZCZKXSR-UHFFFAOYSA-N,"InChI=1S/C19H23N5/c1-13-5-4-6-23(11-13)18-17-10-22-24(19(17)21-12-20-18)16-8-14(2)7-15(3)9-16/h7-10,12-13H,4-6,11H2,1-3H3","""AuxInfo=1/0/N:19,1,23,16,17,15,24,3,21,7,20,11,18,2,22,4,8,13,9,12,10,6,14,5/E:(2,3)(8,9)(14,15)/rA:24CCCCNNCCCNCNCNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;s8d12;s13;s14;s15;s16;s17;s18;s14s18;d4;s21;s22;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-OAABRTSOIPXXHO_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799162,CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3)cc(=O)n12,OAABRTSOIPXXHO,OAABRTSOIPXXHO-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-3-20-17(24)16-11(2)25-18-21-14(9-15(23)22(16)18)8-12-5-4-6-13(7-12)10-19/h4-7,9H,3,8H2,1-2H3,(H,20,24)","""AuxInfo=1/1/N:1,8,2,20,21,19,15,13,22,17,7,14,16,12,23,6,4,10,18,3,11,25,24,5,9/rA:25CCNCOCCCSCNCCCCCCNCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;t17;d16;s19;s14d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-OAABRTSOIPXXHO_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799162,CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3)cc(=O)n12,OAABRTSOIPXXHO,OAABRTSOIPXXHO-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-3-20-17(24)16-11(2)25-18-21-14(9-15(23)22(16)18)8-12-5-4-6-13(7-12)10-19/h4-7,9H,3,8H2,1-2H3,(H,20,24)","""AuxInfo=1/1/N:1,8,2,20,21,19,15,13,22,17,7,14,16,12,23,6,4,10,18,3,11,25,24,5,9/rA:25CCNCOCCCSCNCCCCCCNCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;t17;d16;s19;s14d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-OABMKUYJAYGQHV_on_P18507_WT,Low,ChEMBL30,CHEMBL1081862,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Cl)cc4)-c3n2)c1,OABMKUYJAYGQHV,OABMKUYJAYGQHV-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCClCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-OABMKUYJAYGQHV_on_P28472_WT,Low,ChEMBL30,CHEMBL1081862,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Cl)cc4)-c3n2)c1,OABMKUYJAYGQHV,OABMKUYJAYGQHV-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCClCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-OABMKUYJAYGQHV_on_P31644_WT,Low,ChEMBL30,CHEMBL1081862,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Cl)cc4)-c3n2)c1,OABMKUYJAYGQHV,OABMKUYJAYGQHV-UHFFFAOYSA-N,"InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,21,14,25,8,3,16,9,4/rA:26CCNOCCCNNCCCCNCNCCCCClCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-OADZOHBDSYHZTK_on_Q13255_WT,Medium,ChEMBL30,CHEMBL396593,CCOC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1,OADZOHBDSYHZTK,OADZOHBDSYHZTK-UHFFFAOYSA-N,"InChI=1S/C16H21NO4/c1-3-20-16(19)14-9(2)12(8-17-14)15(18)21-13-7-10-4-5-11(13)6-10/h8,10-11,13,17H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,8,2,16,17,19,14,20,7,15,18,9,13,6,10,4,21,11,5,3,12/rA:21CCOCOCCCCCOOCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;d9;s6s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-OAHDDRYOGWUGCS_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,57391480;CHEMBL1922750,O=C(COc1cc(Br)ccc1)c1cnc(Cl)cc1,OAHDDRYOGWUGCS,OAHDDRYOGWUGCS-UHFFFAOYSA-N,"InChI=1S/C13H9BrClNO2/c14-10-2-1-3-11(6-10)18-8-12(17)9-4-5-13(15)16-7-9/h1-7H,8H2","""AuxInfo=1/0/N:10,9,11,18,17,6,13,3,12,7,5,2,15,8,16,14,1,4/rA:18OCCOCCCBrCCCCCNCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731;CHEMBL1925519,PMID:22030026,2011.0,PubChemAID:632731;PMID:22030026,2012;2011,0;1,0,0,0,1;0,,=,  5.114;  5.110,5.112,0.002,0.002,2.0,5.112,0.002
-OAJFXLONALDQMM_on_P31644_WT,High,ChEMBL30,CHEMBL3681551,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(-c2ccc(Cl)cc2)no1,OAJFXLONALDQMM,OAJFXLONALDQMM-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O4/c1-13-17(19(25-29-13)14-4-7-16(22)8-5-14)11-28-18-9-6-15(10-23-18)20(27)24-21(2,3)12-26/h4-10,26H,11-12H2,1-3H3,(H,24,27)","""AuxInfo=1/1/N:1,14,15,22,27,8,23,26,7,18,4,16,2,21,9,24,3,6,20,10,13,25,19,12,28,17,11,5,29/E:(2,3)(4,5)(7,8)/rA:29CCCCOCCCCCONCCCCOCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-OAJWKACTGAROAZ_on_Q13255_WT,High,ChEMBL30,CHEMBL565934,CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccncc2)cs1,OAJWKACTGAROAZ,OAJWKACTGAROAZ-UHFFFAOYSA-N,"InChI=1S/C16H12BrN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,20,17,19,21,15,5,8,14,3,12,9,18,13,2,4,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22CNCOCCCCBrCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-OAQJDXMFYMJPDP_on_O15399_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.800;  5.290,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_O60391_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.800;  5.290,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.800,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.800,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.800,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.800;  5.290,5.045,0.245,0.245,2.0,5.045,0.245
-OAQJDXMFYMJPDP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180247,N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1,OAQJDXMFYMJPDP,OAQJDXMFYMJPDP-UHFFFAOYSA-N,"InChI=1S/C16H20N6/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:19,18,20,17,21,7,14,22,9,5,8,6,16,15,11,2,12,13,1,3,10,4/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22NCNNCCCCCNCNNCCCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;w?10;s11;s11;d8;s14;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.800,5.045,0.245,0.245,2.0,5.045,0.245
-OARMBUFDWXNMIR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1289114;52947518,O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2F)CC1,OARMBUFDWXNMIR,OARMBUFDWXNMIR-UHFFFAOYSA-N,"InChI=1S/C18H19ClFN3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,8,10,14,24,13,25,21,5,3,6,19,22,16,2,20,23,9,15,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCNCCCCClCCFCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  6.220;  6.222,6.221,0.001,0.001,2.0,6.221,0.001
-OATKMZJTYBLAQQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403590;71713327,O=C(c1cccc(F)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,OATKMZJTYBLAQQ,OATKMZJTYBLAQQ-UHFFFAOYSA-N,"InChI=1S/C21H15FN2OS/c22-17-8-4-7-16(13-17)21(25)24-12-11-18-19(14-24)26-20(23-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2","""AuxInfo=1/0/N:23,22,24,5,21,25,4,6,19,18,12,11,9,15,20,3,7,13,14,17,2,8,26,10,1,16/E:(2,3)(5,6)/rA:26OCCCCCCFCNCCCCCSCCCCCCCCCN/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.520;  7.523,7.521,0.002,0.002,2.0,7.521,0.002
-OAWZVORJQIBBDR_on_P14867_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OAWZVORJQIBBDR_on_P18507_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.080;  7.230;  6.800;  7.600,7.178,0.289,0.16699999999999998,4.0,7.155,0.215
-OAWZVORJQIBBDR_on_P28472_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.600;  7.230;  7.080;  6.800,7.178,0.289,0.16699999999999998,4.0,7.155,0.215
-OAWZVORJQIBBDR_on_P31644_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-OAWZVORJQIBBDR_on_P34903_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-OAWZVORJQIBBDR_on_P47869_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-OAWZVORJQIBBDR_on_Q16445_WT,Low,ChEMBL30,CHEMBL172839,COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1,OAWZVORJQIBBDR,OAWZVORJQIBBDR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-23-21(17)27-13-22/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,12,8,13,2,18,10/E:(3,4)(5,6)/rA:27COCCCCCNCSCNNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;t11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OAXLZFUNILMPAT_on_P41594_WT,High,ChEMBL30,CHEMBL3747085,Cc1cnc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1,OAXLZFUNILMPAT,OAXLZFUNILMPAT-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,25,24,7,8,20,3,12,2,11,14,21,5,22,4,10,6,9,23,13/E:(3,4)(5,6)/rA:25CCCNCNCCNNCCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11;s9d20;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.730;  6.720,6.725,0.005,0.005,2.0,6.725,0.005
-OBFQENXLIIDWAD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760312,CNC1(c2ccccc2Cl)CCCNC1=O,OBFQENXLIIDWAD,OBFQENXLIIDWAD-UHFFFAOYSA-N,"InChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,6,7,12,5,8,11,13,4,9,15,3,10,2,14,16/rA:16CNCCCCCCCClCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-OBFQENXLIIDWAD_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760312,CNC1(c2ccccc2Cl)CCCNC1=O,OBFQENXLIIDWAD,OBFQENXLIIDWAD-UHFFFAOYSA-N,"InChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,6,7,12,5,8,11,13,4,9,15,3,10,2,14,16/rA:16CNCCCCCCCClCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-OBFQENXLIIDWAD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760312,CNC1(c2ccccc2Cl)CCCNC1=O,OBFQENXLIIDWAD,OBFQENXLIIDWAD-UHFFFAOYSA-N,"InChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,6,7,12,5,8,11,13,4,9,15,3,10,2,14,16/rA:16CNCCCCCCCClCCCNCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-OBGGTWXFOZQOKR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198997,c1cc2c(cc1)c1c(c[n+](CCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBGGTWXFOZQOKR,OBGGTWXFOZQOKR-UHFFFAOYSA-P,"InChI=1S/C31H32N4/c1(2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34)3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35/h6-9,12-17,20-23H,1-5,10-11,18-19H2/p+2","""AuxInfo=1/5/N:15,14,16,13,17,6,30,1,29,12,18,5,31,2,28,34,24,11,19,33,25,9,21,4,26,7,23,3,27,8,22,35,32,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35CCCCCCCCCN+CCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s23;d26;s27;d28;s29;s26d30;s22s27;s10;s7d33;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105655;CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.910;  4.870,4.89,0.02,0.02,2.0,4.89,0.02
-OBGGTWXFOZQOKR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198997,c1cc2c(cc1)c1c(c[n+](CCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBGGTWXFOZQOKR,OBGGTWXFOZQOKR-UHFFFAOYSA-P,"InChI=1S/C31H32N4/c1(2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34)3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35/h6-9,12-17,20-23H,1-5,10-11,18-19H2/p+2","""AuxInfo=1/5/N:15,14,16,13,17,6,30,1,29,12,18,5,31,2,28,34,24,11,19,33,25,9,21,4,26,7,23,3,27,8,22,35,32,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35CCCCCCCCCN+CCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s23;d26;s27;d28;s29;s26d30;s22s27;s10;s7d33;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.870,4.87,0.0,0.0,1.0,4.87,0.0
-OBGGTWXFOZQOKR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198997,c1cc2c(cc1)c1c(c[n+](CCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBGGTWXFOZQOKR,OBGGTWXFOZQOKR-UHFFFAOYSA-P,"InChI=1S/C31H32N4/c1(2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34)3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35/h6-9,12-17,20-23H,1-5,10-11,18-19H2/p+2","""AuxInfo=1/5/N:15,14,16,13,17,6,30,1,29,12,18,5,31,2,28,34,24,11,19,33,25,9,21,4,26,7,23,3,27,8,22,35,32,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35CCCCCCCCCN+CCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s23;d26;s27;d28;s29;s26d30;s22s27;s10;s7d33;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-OBGKLELCXBROAY_on_Q14416_WT,High,ChEMBL30,CHEMBL595151,Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2c1cccc2,OBGKLELCXBROAY,OBGKLELCXBROAY-UHFFFAOYSA-N,"InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,11,10,6,20,7,19,17,4,12,22,23,9,3,13,14,15,16,18,21,2,5,8/E:(8,9)(10,11)(20,21,22)/rA:27CNCCNCCNCCCCCFFFCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.300;  5.200,5.75,0.55,0.55,2.0,5.75,0.55
-OBHDJELMWYLWHL_on_P41594_WT,High,ChEMBL30,CHEMBL4097994,N#Cc1cc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(F)cc2)ccc1,OBHDJELMWYLWHL,OBHDJELMWYLWHL-UHFFFAOYSA-N,"InChI=1S/C22H12F2N2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H","""AuxInfo=1/0/N:28,29,27,21,26,22,25,16,17,4,13,2,10,3,20,23,14,5,18,12,9,19,24,15,1,11,7,8,6/E:(4,5)(6,7)(27,28)/CRV:29.6/rA:29NCCCCSOOCCNCCCFCCCCCCCCFCCCCC/rB:t1;s2;d3;s4;s5;d6;d6;s6;d9;s10;d11;s12;d13;s14;s14;d16;s12s17;s9d18;s19;d20;s21;d22;s23;s23;s20d25;d5;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-OBHHDJWXDSZVMF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913098,Clc1ccc(Oc2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)cc1,OBHHDJWXDSZVMF,OBHHDJWXDSZVMF-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2N4O/c19-11-3-6-13(7-4-11)25-16-8-5-12(10-14(16)20)22-18-17-15(23-24-18)2-1-9-21-17/h1-10H,(H2,22,23,24)","""AuxInfo=1/1/N:16,17,3,25,9,4,24,8,15,21,2,10,5,22,18,7,13,12,1,23,14,11,19,20,6/E:(3,4)(6,7)/rA:25ClCCCCOCCCCNCCNCCCCNNCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;d16;s13s17;d18;s12s19;s10;s7d21;s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-OBOYWTBAOJHNNO_on_P41594_WT,High,ChEMBL30,CHEMBL3806078,O=C1NC(c2cc(C#Cc3cncc(F)c3)cnc2)C(c2ccc(F)cc2)O1,OBOYWTBAOJHNNO,OBOYWTBAOJHNNO-UHFFFAOYSA-N,"InChI=1S/C21H13F2N3O2/c22-17-5-3-15(4-6-17)20-19(26-21(27)28-20)16-7-13(9-24-11-16)1-2-14-8-18(23)12-25-10-14/h3-12,19-20H,(H,26,27)","""AuxInfo=1/1/N:8,9,22,27,23,26,6,16,17,11,19,13,7,10,21,5,24,14,4,20,2,25,15,18,12,3,1,28/E:(3,4)(5,6)/rA:28OCNCCCCCCCCNCCFCCNCCCCCCFCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;d7;s17;s5d18;s4;s20;d21;s22;d23;s24;s24;s21d26;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807498;CHEMBL3807497;CHEMBL4479790,PMID:26985317,2016.0,PMID:26985317;PMID:26985317;PMID:27496211,2016,0,0;1;1,0,1;0;0,0,,=,  7.600;  8.220;  6.500,7.44,0.711,0.503,3.0,7.6,0.62
-OBPPXGLDCMXNDT_on_P14867_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-OBPPXGLDCMXNDT_on_P18507_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678745;CHEMBL678741;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.500;  9.040;  8.510;  8.010,8.265,0.5720000000000001,0.331,4.0,8.26,0.505
-OBPPXGLDCMXNDT_on_P28472_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL681841;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.510;  8.010;  9.040;  7.500,8.265,0.5720000000000001,0.331,4.0,8.26,0.505
-OBPPXGLDCMXNDT_on_P31644_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.040,9.04,0.0,0.0,1.0,9.04,0.0
-OBPPXGLDCMXNDT_on_P34903_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-OBPPXGLDCMXNDT_on_P47869_WT,Low,ChEMBL30,CHEMBL296383,Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1,OBPPXGLDCMXNDT,OBPPXGLDCMXNDT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3","""AuxInfo=1/0/N:1,23,22,4,3,5,24,21,14,15,7,2,13,6,19,20,12,18,9,25,16,17,10,11,8/E:(9,10)/rA:25CCCCCCCOCNNCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;s13;s13s14;d12;s16;s11d17;s18;s9d19;s20;d21;s22;s19d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-OBQABQYFCKQGFL_on_P14867_WT,Low,ChEMBL30,CHEMBL202028,Oc1nsc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,OBQABQYFCKQGFL,OBQABQYFCKQGFL-UHFFFAOYSA-N,"InChI=1S/C23H26N2OS/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNSCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-OBQABQYFCKQGFL_on_P18507_WT,Low,ChEMBL30,CHEMBL202028,Oc1nsc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,OBQABQYFCKQGFL,OBQABQYFCKQGFL-UHFFFAOYSA-N,"InChI=1S/C23H26N2OS/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNSCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-OBQABQYFCKQGFL_on_P28472_WT,Low,ChEMBL30,CHEMBL202028,Oc1nsc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1,OBQABQYFCKQGFL,OBQABQYFCKQGFL-UHFFFAOYSA-N,"InChI=1S/C23H26N2OS/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)","""AuxInfo=1/1/N:19,25,18,20,24,26,17,21,23,27,14,13,7,11,8,10,16,22,6,15,12,5,2,9,3,1,4/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:27OCNSCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-OBQCRMSWBKGCBP_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL555454;44191180,O=C(Nc1cc(C(F)(F)F)c(F)cc1)c1ccccn1,OBQCRMSWBKGCBP,OBQCRMSWBKGCBP-UHFFFAOYSA-N,"InChI=1S/C13H8F4N2O/c14-10-5-4-8(7-9(10)13(15,16)17)19-12(20)11-3-1-2-6-18-11/h1-7H,(H,19,20)","""AuxInfo=1/1/N:17,18,16,14,13,19,5,4,6,11,15,2,7,12,8,9,10,20,3,1/E:(15,16,17)/rA:20OCNCCCCFFFCFCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s11;s4d13;s2;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756;PubChemAID:420542,PMID:19469556,2009.0,PMID:19469556;PubChemAID:420542,2009;2010,0,1;0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-OBSHKXBSFJPWFE_on_Q05586_WT,Low,ChEMBL30,CHEMBL1199290,c1cc2c(cc1)c1c(c[n+](CCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBSHKXBSFJPWFE,OBSHKXBSFJPWFE-UHFFFAOYSA-P,"InChI=1S/C30H30N4/c1(3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33)2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34/h5-8,11-16,19-22H,1-4,9-10,17-18H2/p+2","""AuxInfo=1/5/N:14,15,13,16,6,29,1,28,12,17,5,30,2,27,33,23,11,18,32,24,9,20,4,25,7,22,3,26,8,21,34,31,10,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCCCN+CCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s22;d25;s26;d27;s28;s25d29;s21s26;s10;s7d32;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105655;CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.220;  5.460,5.34,0.12,0.12,2.0,5.34,0.12
-OBSHKXBSFJPWFE_on_Q12879_WT,Low,ChEMBL30,CHEMBL1199290,c1cc2c(cc1)c1c(c[n+](CCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBSHKXBSFJPWFE,OBSHKXBSFJPWFE-UHFFFAOYSA-P,"InChI=1S/C30H30N4/c1(3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33)2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34/h5-8,11-16,19-22H,1-4,9-10,17-18H2/p+2","""AuxInfo=1/5/N:14,15,13,16,6,29,1,28,12,17,5,30,2,27,33,23,11,18,32,24,9,20,4,25,7,22,3,26,8,21,34,31,10,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCCCN+CCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s22;d25;s26;d27;s28;s25d29;s21s26;s10;s7d32;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OBSHKXBSFJPWFE_on_Q13224_WT,Low,ChEMBL30,CHEMBL1199290,c1cc2c(cc1)c1c(c[n+](CCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,OBSHKXBSFJPWFE,OBSHKXBSFJPWFE-UHFFFAOYSA-P,"InChI=1S/C30H30N4/c1(3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33)2-4-10-18-34-20-16-26-24-12-6-8-14-28(24)32-30(26)22-34/h5-8,11-16,19-22H,1-4,9-10,17-18H2/p+2","""AuxInfo=1/5/N:14,15,13,16,6,29,1,28,12,17,5,30,2,27,33,23,11,18,32,24,9,20,4,25,7,22,3,26,8,21,34,31,10,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCCCN+CCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s22;d25;s26;d27;s28;s25d29;s21s26;s10;s7d32;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-OBUIZKQQNAWVEW_on_O00222_WT,High,ChEMBL30,CHEMBL2381644;CHEMBL2381645,[N-]=[N+]=NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,OBUIZKQQNAWVEW,OBUIZKQQNAWVEW-UHFFFAOYSA-N,"InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:5,4,16,12,11,13,8,6,7,1,3,2,14,15,9,10/E:(13,14)(15,16)/CRV:12.5/rA:16N-N+NCCCNCOOCCCOOC/rB:d1;d2;s3;s4;s5;s6;s6;d8;s8;s6;s11;s12;d13;s13;s4s11s12;/rC:;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2382523,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  4.910;  4.920,4.915,0.005,0.005,2.0,4.915,0.005
-OBUIZKQQNAWVEW_on_O15303_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71681823;CHEMBL2381644;CHEMBL2381645,[N-]=[N+]=NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,OBUIZKQQNAWVEW,OBUIZKQQNAWVEW-UHFFFAOYSA-N,"InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:5,4,16,12,11,13,8,6,7,1,3,2,14,15,9,10/E:(13,14)(15,16)/CRV:12.5/rA:16N-N+NCCCNCOOCCCOOC/rB:d1;d2;s3;s4;s5;s6;s6;d8;s8;s6;s11;s12;d13;s13;s4s11s12;/rC:;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:748163;CHEMBL2382646;CHEMBL2382644,PMID:23675965,2013.0,PubChemAID:748163;PMID:23675965;PMID:23675965,2014;2013;2013,0;0;1,0;1;0,0,0,1;0;0,,=,  6.108;  6.110;  5.720,5.979,0.183,0.13,3.0,6.108,0.002
-OBUIZKQQNAWVEW_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2381645;CHEMBL2381644;71681823,[N-]=[N+]=NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,OBUIZKQQNAWVEW,OBUIZKQQNAWVEW-UHFFFAOYSA-N,"InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:5,4,16,12,11,13,8,6,7,1,3,2,14,15,9,10/E:(13,14)(15,16)/CRV:12.5/rA:16N-N+NCCCNCOOCCCOOC/rB:d1;d2;s3;s4;s5;s6;s6;d8;s8;s6;s11;s12;d13;s13;s4s11s12;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2383450;CHEMBL2383450;PubChemAID:748171,PMID:23675965,2013.0,PMID:23675965;PMID:23675965;PubChemAID:748171,2013;2013;2014,0,1;1;0,0,0,0;0;1,,=,  7.910;  8.090;  8.086,8.029,0.084,0.059000000000000004,3.0,8.086,0.004
-OBUIZKQQNAWVEW_on_Q14832_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71681823;CHEMBL2381645;CHEMBL2381644,[N-]=[N+]=NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,OBUIZKQQNAWVEW,OBUIZKQQNAWVEW-UHFFFAOYSA-N,"InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:5,4,16,12,11,13,8,6,7,1,3,2,14,15,9,10/E:(13,14)(15,16)/CRV:12.5/rA:16N-N+NCCCNCOOCCCOOC/rB:d1;d2;s3;s4;s5;s6;s6;d8;s8;s6;s11;s12;d13;s13;s4s11s12;/rC:;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:748167;CHEMBL2383344;CHEMBL2383344,PMID:23675965,2013.0,PubChemAID:748167;PMID:23675965;PMID:23675965,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  7.910;  7.630;  7.910,7.817,0.132,0.09300000000000001,3.0,7.91,0.0
-OBUVCWPZKZGURL_on_P41594_WT,High,ChEMBL30,CHEMBL1808899,Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1,OBUVCWPZKZGURL,OBUVCWPZKZGURL-UHFFFAOYSA-N,"InChI=1S/C20H17ClFN3OS/c1-12-5-17(13-3-2-4-14(21)6-13)24-8-16(12)18-7-15(22)10-25(18)20(26)19-9-23-11-27-19/h2-6,8-9,11,15,18H,7,10H2,1H3","""AuxInfo=1/0/N:1,7,6,8,3,11,16,13,24,19,26,2,5,9,17,14,4,15,23,21,10,18,25,12,20,22,27/rA:27CCCCCCCCCClCNCCCCCFCNCOCCNCS/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s5d9;d4;s12;s2d13;s14;s15;s16;s17;s17;s15s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  7.030;  7.000,7.015,0.015,0.015,2.0,7.015,0.015
-OBXPZZXABSFCRD_on_Q13255_WT,High,ChEMBL30,CHEMBL2397341,CC1CN(c2cccc(F)n2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,OBXPZZXABSFCRD,OBXPZZXABSFCRD-UHFFFAOYSA-N,"InChI=1S/C21H28FN3O/c1-14-13-24(19-4-2-3-18(22)23-19)5-6-25(14)20(26)21-10-15-7-16(11-21)9-17(8-15)12-21/h2-4,14-17H,5-13H2,1H3","""AuxInfo=1/0/N:1,7,8,6,12,13,20,22,24,26,18,25,3,2,21,19,23,9,5,15,17,10,11,4,14,16/E:(7,8,9)(10,11,12)(15,16,17)/rA:26CCCNCCCCCFNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s5d9;s4;s12;s2s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.590;  6.590,6.59,0.0,0.0,2.0,6.59,0.0
-OCFATFJGYYVOKA_on_Q14416_WT,High,ChEMBL30,CHEMBL1094133,CCCCCCC1CN(c2c(F)cccc2)C(=O)O1,OCFATFJGYYVOKA,OCFATFJGYYVOKA-UHFFFAOYSA-N,"InChI=1S/C15H20FNO2/c1-2-3-4-5-8-12-11-17(15(18)19-12)14-10-7-6-9-13(14)16/h6-7,9-10,12H,2-5,8,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,15,6,13,16,8,7,11,10,17,12,9,18,19/rA:19CCCCCCCCNCCFCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;d13;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-OCKTURZLTOIAQU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954434,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1OC(F)F,OCKTURZLTOIAQU,OCKTURZLTOIAQU-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O3/c1-13-10-16(11-14(2)25-13)20-17-6-8-29-9-7-27(17)21(26-20)15-4-5-18(30-22(23)24)19(12-15)28-3/h4-5,10-12,22H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,17,26,3,8,6,28,29,30,13,7,23,2,20,27/E:(1,2)(10,11)(13,14)(23,24)/rA:30COCCCCNCCCCCNCCCCCCOCCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OCLIFIAIDPBICH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112439,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC(C)C)c3)n2)cc(C)n1,OCLIFIAIDPBICH,OCLIFIAIDPBICH-UHFFFAOYSA-N,"InChI=1S/C26H33N3O2/c1-16(2)15-31-24-13-21(8-7-17(24)3)26-28-25(22-11-18(4)27-19(5)12-22)23-9-10-30-20(6)14-29(23)26/h7-8,11-13,16,20H,9-10,14-15H2,1-6H3","""AuxInfo=1/0/N:24,25,19,1,30,11,17,16,7,8,3,28,26,12,22,23,18,2,29,10,15,4,6,20,5,14,31,27,13,9,21/E:(1,2)(4,5)(11,12)(18,19)/rA:31CCCCCCCCOCCCNCCCCCCCOCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s23;s15d20;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-OCNVADMKXAQCFP_on_Q14416_WT,High,ChEMBL30,CHEMBL3939492,COC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,OCNVADMKXAQCFP,OCNVADMKXAQCFP-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O7/c1-27-16(26)21-12-9-10(14(22)23)11(9)17(20,15(24)25)13(12)28-5-6-2-3-7(18)8(19)4-6/h2-4,9-13H,5,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)","""AuxInfo=1/1/N:1,22,23,28,20,21,24,26,7,8,12,6,18,9,15,3,13,25,27,14,5,10,11,16,17,4,2,19/E:(22,23)(24,25)/rA:28COCONCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;d15;s15;s6s13;s18;s19;s20;d21;s22;d23;s24;s24;s26;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-OCNVADMKXAQCFP_on_Q14832_WT,High,ChEMBL30,CHEMBL3939492,COC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,OCNVADMKXAQCFP,OCNVADMKXAQCFP-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O7/c1-27-16(26)21-12-9-10(14(22)23)11(9)17(20,15(24)25)13(12)28-5-6-2-3-7(18)8(19)4-6/h2-4,9-13H,5,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)","""AuxInfo=1/1/N:1,22,23,28,20,21,24,26,7,8,12,6,18,9,15,3,13,25,27,14,5,10,11,16,17,4,2,19/E:(22,23)(24,25)/rA:28COCONCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s7s8;s12;s13;s13;d15;s15;s6s13;s18;s19;s20;d21;s22;d23;s24;s24;s26;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.690,7.69,0.0,0.0,1.0,7.69,0.0
-OCPXWGYPEFSLKQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL2219504,COCc1cccc(C#Cc2nc(C)ccc2)c1,OCPXWGYPEFSLKQ,OCPXWGYPEFSLKQ-UHFFFAOYSA-N,"InChI=1S/C16H15NO/c1-13-5-3-8-16(17-13)10-9-14-6-4-7-15(11-14)12-18-2/h3-8,11H,12H2,1-2H3","""AuxInfo=1/0/N:14,1,16,6,15,7,5,17,9,10,18,3,13,8,4,11,12,2/rA:18COCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;s10;d11;s12;s13;d13;s15;s11d16;s4d8;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715727;CHEMBL823384;CHEMBL711710,PMID:11814808,2002.0,PMID:11814808;PMID:12565928;PMID:11814808,2002;2003;2002,1,0,0,0,0,,=,  8.000;  8.150;  8.440,8.197000000000001,0.183,0.129,3.0,8.15,0.15
-OCVKYJFCWLTEPM_on_P41594_WT,High,ChEMBL30,CHEMBL4111384,Cc1cccc(C(=O)NC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1,OCVKYJFCWLTEPM,OCVKYJFCWLTEPM-UHFFFAOYSA-N,"InChI=1S/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)","""AuxInfo=1/1/N:1,20,21,4,12,3,19,5,13,11,24,25,22,26,2,18,6,16,7,14,10,23,27,15,9,17,8/rA:27CCCCCCCONCCCCCNCOCCCCCNCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s10s24;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706069;CHEMBL3706070,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,1;0,0,0,0;1,0,,=,  9.490;  7.410,8.45,1.04,1.04,2.0,8.45,1.04
-OCVRDYREJYODBM_on_Q14833_WT,High,ChEMBL30,CHEMBL3808634,Cc1c(S(=O)(=O)Cc2ccccc2Cl)sc(NC(=O)c2ccccn2)n1,OCVRDYREJYODBM,OCVRDYREJYODBM-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-6-2-3-7-13(12)18)25-17(20-11)21-15(22)14-8-4-5-9-19-14/h2-9H,10H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,10,11,22,23,9,12,21,24,7,2,8,13,20,18,3,16,14,25,26,17,19,5,6,15,4/E:(23,24)/CRV:26.6/rA:26CCCSOOCCCCCCCClSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s13;s3;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.350;  6.350,6.35,0.0,0.0,2.0,6.35,0.0
-OCYKDMNCVKMAQA_on_P41594_WT,High,ChEMBL30,CHEMBL4098511,O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCCC1,OCYKDMNCVKMAQA,OCYKDMNCVKMAQA-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c24-26(25,17-10-4-3-5-11-17)20-16-22-19-13-7-6-12-18(19)21(20)23-14-8-1-2-9-15-23/h3-7,10-13,16H,1-2,8-9,14-15H2","""AuxInfo=1/0/N:23,24,7,6,8,16,15,22,25,5,9,17,14,21,26,11,4,18,13,10,19,12,20,1,3,2/E:(1,2)(4,5)(8,9)(10,11)(14,15)(24,25)/CRV:26.6/rA:26OSOCCCCCCCCNCCCCCCCNCCCCCC/rB:d1;d2;s2;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;d14;s15;d16;s13s17;s10d18;s19;s20;s21;s22;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-OCYMDCZUBPZMRQ_on_P14867_WT,Low,ChEMBL30,CHEMBL2315215,NCc1c(Br)n(O)nc1,OCYMDCZUBPZMRQ,OCYMDCZUBPZMRQ-UHFFFAOYSA-N,"InChI=1S/C4H6BrN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCBrNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317993,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OCYMDCZUBPZMRQ_on_P18507_WT,Low,ChEMBL30,CHEMBL2315215,NCc1c(Br)n(O)nc1,OCYMDCZUBPZMRQ,OCYMDCZUBPZMRQ-UHFFFAOYSA-N,"InChI=1S/C4H6BrN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCBrNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317993,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OCYMDCZUBPZMRQ_on_P47870_WT,Low,ChEMBL30,CHEMBL2315215,NCc1c(Br)n(O)nc1,OCYMDCZUBPZMRQ,OCYMDCZUBPZMRQ-UHFFFAOYSA-N,"InChI=1S/C4H6BrN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCBrNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317993,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ODCZSTMLJZVPMX_on_Q05586_WT,Low,ChEMBL30,CHEMBL304274,CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,ODCZSTMLJZVPMX,ODCZSTMLJZVPMX-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-16(2)30(27,28)26-18-10-13-21-22(15-18)25-23(24-21)14-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,15-16,26H,14H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,25,24,26,23,27,18,29,13,19,28,12,16,9,2,17,8,22,20,11,10,15,14,30,7,5,6,21,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)(27,28)/CRV:30.6/rA:30CCCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17d28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  7.820;  7.850,7.835,0.015,0.015,2.0,7.835,0.015
-ODCZSTMLJZVPMX_on_Q13224_WT,Low,ChEMBL30,CHEMBL304274,CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,ODCZSTMLJZVPMX,ODCZSTMLJZVPMX-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-16(2)30(27,28)26-18-10-13-21-22(15-18)25-23(24-21)14-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,15-16,26H,14H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,25,24,26,23,27,18,29,13,19,28,12,16,9,2,17,8,22,20,11,10,15,14,30,7,5,6,21,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)(27,28)/CRV:30.6/rA:30CCCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17d28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.850;  7.820,7.835,0.015,0.015,2.0,7.835,0.015
-ODILAZQKVLULQT_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1094146;44155754,CCCCCCC1CN(c2cc(N)ccc2)C(=O)O1,ODILAZQKVLULQT,ODILAZQKVLULQT-UHFFFAOYSA-N,"InChI=1S/C15H22N2O2/c1-2-3-4-5-9-14-11-17(15(18)19-14)13-8-6-7-12(16)10-13/h6-8,10,14H,2-5,9,11,16H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,15,14,16,6,11,8,12,10,7,17,13,9,18,19/rA:19CCCCCCCCNCCCNCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d12;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.480;  5.481,5.481,0.0,0.0,2.0,5.481,0.0
-ODIZUHKZJZYZAL_on_O00591_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_O14764_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P14867_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P18505_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P18507_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P28472_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P31644_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P34903_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P47869_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P47870_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P48169_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_P78334_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_Q16445_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800;  6.400,6.6,0.2,0.2,2.0,6.6,0.2
-ODIZUHKZJZYZAL_on_Q99928_WT,Low,ChEMBL30,CHEMBL185214,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1,ODIZUHKZJZYZAL,ODIZUHKZJZYZAL-UHFFFAOYSA-N,"InChI=1S/C11H8Cl2F3N3S/c1-20-9-4-8(17)19(18-9)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,17H2,1H3","""AuxInfo=1/0/N:1,9,15,20,10,7,16,18,3,6,11,8,17,12,13,14,19,4,5,2/E:(2,3)(6,7)(12,13)(14,15,16)/rA:20CSCNNCCClCCCFFFCCClCNC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.400;  6.800,6.6,0.2,0.2,2.0,6.6,0.2
-ODJNQISLLXNXAN_on_P41594_WT,High,ChEMBL30,CHEMBL1630060,Cc1c(C(C)OC(=O)Nc2c(Cl)cccc2)oc2ncnn12,ODJNQISLLXNXAN,ODJNQISLLXNXAN-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-6-4-3-5-10(11)15/h3-7,9H,1-2H3,(H,18,20)","""AuxInfo=1/1/N:1,5,14,15,13,16,20,2,4,11,10,3,18,7,12,19,21,9,22,8,6,17/rA:22CCCCCOCONCCClCCCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;s11;d13;s14;s10d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-ODJSYSJYVGPFGA_on_Q13255_WT,High,ChEMBL30,CHEMBL3634430,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O,ODJSYSJYVGPFGA,ODJSYSJYVGPFGA-UHFFFAOYSA-N,"InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-13-7-8-16(17(11-13)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:11,1,24,25,23,26,15,16,12,13,4,10,5,22,21,17,3,9,7,27,19,6,18,8,28,20,2,14/E:(3,4)(5,6)(14,15)(20,21)(25,26)/rA:28COCCCNCOCCCCCOCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s18s22;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.340;  7.330,7.335,0.005,0.005,2.0,7.335,0.005
-ODJSYSJYVGPFGA_on_Q14833_WT,High,ChEMBL30,CHEMBL3634430,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O,ODJSYSJYVGPFGA,ODJSYSJYVGPFGA-UHFFFAOYSA-N,"InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-13-7-8-16(17(11-13)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:11,1,24,25,23,26,15,16,12,13,4,10,5,22,21,17,3,9,7,27,19,6,18,8,28,20,2,14/E:(3,4)(5,6)(14,15)(20,21)(25,26)/rA:28COCCCNCOCCCCCOCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s18s22;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ODMBDPAWRLGDOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL391955,Cc1nc(NC(=O)c2cccc3c2nc(O)o3)cs1,ODMBDPAWRLGDOQ,ODMBDPAWRLGDOQ-UHFFFAOYSA-N,"InChI=1S/C12H9N3O3S/c1-6-13-9(5-19-6)14-11(16)7-3-2-4-8-10(7)15-12(17)18-8/h2-5H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,10,9,11,18,2,8,12,4,13,6,15,3,5,14,7,16,17,19/rA:19CCNCNCOCCCCCCNCOOCS/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;d14;s15;s12s15;d4;s2s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-ODMRUSZTWJEVMY_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684102,CCCN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O,ODMRUSZTWJEVMY,ODMRUSZTWJEVMY-UHFFFAOYSA-N,"InChI=1S/C20H19NO/c1-2-13-21-14-12-18-15-17(10-11-19(18)20(21)22)9-8-16-6-4-3-5-7-16/h3-7,10-11,15H,2,12-14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,13,12,10,9,6,3,5,20,14,11,7,8,21,4,22/E:(4,5)(6,7)/rA:22CCCNCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7d11;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-ODWCGGCCGLKRAK_on_O00591_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_O14764_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P14867_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P18505_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P18507_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P28472_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P31644_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P34903_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P47869_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P47870_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P48169_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_P78334_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_Q16445_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODWCGGCCGLKRAK_on_Q99928_WT,Low,ChEMBL30,CHEMBL93488,COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,ODWCGGCCGLKRAK,ODWCGGCCGLKRAK-UHFFFAOYSA-N,"InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,15,16,14,17,4,5,21,3,13,6,18,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;d13;s14;d15;s16;s9s13d17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-ODYPDGIAGVNBAM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921985,CC1CN(C(=O)c2cccc(F)c2)Cc2cc(COc3ccccc3)nn21,ODYPDGIAGVNBAM,ODYPDGIAGVNBAM-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-12-24(21(26)16-6-5-7-17(22)10-16)13-19-11-18(23-25(15)19)14-27-20-8-3-2-4-9-20/h2-11,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,8,10,21,25,13,16,3,14,18,2,7,11,17,15,20,5,12,26,4,27,6,19/E:(3,4)(8,9)/rA:27CCCNCOCCCCCFCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s7d11;s4;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s2s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ODYQDIALHWFOOJ_on_P41594_WT,High,ChEMBL30,CHEMBL3702412,N#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,ODYQDIALHWFOOJ,ODYQDIALHWFOOJ-UHFFFAOYSA-N,"InChI=1S/C17H12IN5O/c18-14-3-1-2-13-12(14)4-5-23-15(13)6-16(20-8-17(23)24)22-9-11(7-19)21-10-22/h1-3,6,9-10H,4-5,8H2","""AuxInfo=1/0/N:17,16,18,13,12,22,2,8,4,23,3,14,15,19,21,6,9,20,1,7,24,5,11,10/rA:24NCCCNCNCCONCCCCCCCCICCCN/rB:t1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s5;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ODYQDIALHWFOOJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702412,N#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,ODYQDIALHWFOOJ,ODYQDIALHWFOOJ-UHFFFAOYSA-N,"InChI=1S/C17H12IN5O/c18-14-3-1-2-13-12(14)4-5-23-15(13)6-16(20-8-17(23)24)22-9-11(7-19)21-10-22/h1-3,6,9-10H,4-5,8H2","""AuxInfo=1/0/N:17,16,18,13,12,22,2,8,4,23,3,14,15,19,21,6,9,20,1,7,24,5,11,10/rA:24NCCCNCNCCONCCCCCCCCICCCN/rB:t1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s5;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OEBCNNQIIONBQQ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB;ExCAPE-DB,CHEMBL1921962;56649127;46869948,O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(CC4)C3C2=O)cc1)c1ncccc1,OEBCNNQIIONBQQ,OEBCNNQIIONBQQ-UHFFFAOYSA-N,"InChI=1S/C22H18ClN3O3/c23-15-11-14(25-20(27)16-3-1-2-10-24-16)8-9-17(15)26-21(28)18-12-4-5-13(7-6-12)19(18)22(26)29/h1-5,8-13,18-19H,6-7H2,(H,25,27)","""AuxInfo=1/1/N:28,27,29,14,15,18,17,23,22,26,5,13,16,4,6,24,8,12,19,2,10,20,7,25,3,9,1,11,21/E:(4,5)(6,7)(12,13)(18,19)(21,22)(28,29)/rA:29OCNCCCClCNCOCCCCCCCCCOCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s13;w?14;s15;s16;s13s17;s12s16;s9s19;d20;s8;s4d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408;PubChemAID:2197,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408;PubChemAID:2197,2011;2012;2009,0,1;0;0,0,0,0;1;1,,=,  6.540;  6.542;  6.498,6.527,0.02,0.013999999999999999,3.0,6.54,0.002
-OEDOJMYEKVJGER_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799233,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC(C)C)cc(=O)n12,OEDOJMYEKVJGER,OEDOJMYEKVJGER-UHFFFAOYSA-N,"InChI=1S/C19H22F3N5O3S/c1-5-23-17(29)16-11(4)31-18-24-12(6-14(28)27(16)18)8-26-15(30-9-10(2)3)7-13(25-26)19(20,21)22/h6-7,10H,5,8-9H2,1-4H3,(H,23,29)","""AuxInfo=1/1/N:1,26,27,8,2,28,21,13,24,25,7,12,16,29,22,6,4,10,17,18,19,20,3,11,15,14,31,30,5,23,9/E:(2,3)(20,21,22)/rA:31CCNCOCCCSCNCCNNCCFFFCCOCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s24;s25;s25;d12;s28;d29;s6s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-OEDOJMYEKVJGER_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799233,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC(C)C)cc(=O)n12,OEDOJMYEKVJGER,OEDOJMYEKVJGER-UHFFFAOYSA-N,"InChI=1S/C19H22F3N5O3S/c1-5-23-17(29)16-11(4)31-18-24-12(6-14(28)27(16)18)8-26-15(30-9-10(2)3)7-13(25-26)19(20,21)22/h6-7,10H,5,8-9H2,1-4H3,(H,23,29)","""AuxInfo=1/1/N:1,26,27,8,2,28,21,13,24,25,7,12,16,29,22,6,4,10,17,18,19,20,3,11,15,14,31,30,5,23,9/E:(2,3)(20,21,22)/rA:31CCNCOCCCSCNCCNNCCFFFCCOCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;s23;s24;s25;s25;d12;s28;d29;s6s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-OEHWMLFYAYEXSV_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023624;70691970,O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCCCC1,OEHWMLFYAYEXSV,OEHWMLFYAYEXSV-UHFFFAOYSA-N,"InChI=1S/C24H22N4O2/c29-24(27-13-5-2-6-14-27)30-20-9-10-22-21(11-12-25-23(22)15-20)18-16-26-28(17-18)19-7-3-1-4-8-19/h1,3-4,7-12,15-17H,2,5-6,13-14H2","""AuxInfo=1/0/N:15,28,14,16,27,29,13,17,5,6,20,21,26,30,24,19,10,9,12,4,8,7,23,2,22,18,25,11,1,3/E:(3,4)(5,6)(7,8)(13,14)/rA:30OCOCCCCCCCNCCCCCCNCCCNCCNCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;d8;s20;d21;s7s22;s4d23;s2;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  6.720;  6.721,6.72,0.001,0.001,2.0,6.72,0.001
-OEIPDQDWGFATDE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71712437;CHEMBL2403662,O=C1NCCc2c1sc(C#Cc1ccccc1F)n2,OEIPDQDWGFATDE,OEIPDQDWGFATDE-UHFFFAOYSA-N,"InChI=1S/C14H9FN2OS/c15-10-4-2-1-3-9(10)5-6-12-17-11-7-8-16-14(18)13(11)19-12/h1-4H,7-8H2,(H,16,18)","""AuxInfo=1/1/N:14,15,13,16,11,10,5,4,12,17,6,9,7,2,18,3,19,1,8/rA:19OCNCCCCSCCCCCCCCCFN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s17;s6d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  5.824;  5.820,5.822,0.002,0.002,2.0,5.822,0.002
-OEIRQQZGARGKRG_on_P14867_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1648949,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-OEIRQQZGARGKRG_on_P18507_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1648951;CHEMBL1648949;CHEMBL1648947;CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  7.180;  8.440;  8.010;  7.190,7.705,0.542,0.313,4.0,7.6,0.415
-OEIRQQZGARGKRG_on_P28472_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1648949;CHEMBL1648948;CHEMBL1648947;CHEMBL1648951,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.440;  7.190;  8.010;  7.180,7.705,0.542,0.313,4.0,7.6,0.415
-OEIRQQZGARGKRG_on_P31644_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1648951,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-OEIRQQZGARGKRG_on_P34903_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-OEIRQQZGARGKRG_on_P47869_WT,Low,ChEMBL30,CHEMBL1644825,Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1,OEIRQQZGARGKRG,OEIRQQZGARGKRG-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,19,18,20,17,21,3,30,15,14,12,4,29,11,22,2,16,13,5,9,10,8,24,27,23,7,26,6,25,28/E:(3,4)(5,6)(7,8)(12,13)/rA:30CCCCCNNCCCCCCCCCCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;d24;s8s24;s6s26;d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-OEKFGMCDKMFNCE_on_Q14416_WT,High,ChEMBL30,CHEMBL4080973,Cc1nc(C)c(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1,OEKFGMCDKMFNCE,OEKFGMCDKMFNCE-UHFFFAOYSA-N,"InChI=1S/C24H20F4N4O/c1-13-3-7-19(14(2)29-13)33-20-8-6-16(12-18(20)25)17-9-10-32-21(11-15-4-5-15)30-31-23(32)22(17)24(26,27)28/h3,6-10,12,15H,4-5,11H2,1-2H3","""AuxInfo=1/0/N:1,5,33,25,26,30,32,31,29,28,23,11,2,4,24,12,13,9,6,8,22,14,19,15,10,16,17,18,3,21,20,27,7/E:(4,5)(26,27,28)/rA:33CCNCCCOCCFCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s8d30;s6;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040507;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;1;0,0;0;1,0,,=,  8.060;  8.600;  8.590,8.417,0.252,0.17800000000000002,3.0,8.59,0.01
-OEKGPRKVGMSCTI_on_O00222_WT,Low,ChEMBL30,CHEMBL4094636,CS(=O)(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,OEKGPRKVGMSCTI,OEKGPRKVGMSCTI-UHFFFAOYSA-N,"InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,7,21,6,22,15,14,8,5,16,18,9,17,19,20,10,12,13,3,4,11,2/E:(2,3)(4,5)(14,15)(17,18)(19,20)/CRV:22.6/rA:22CSOOCCCCCOPOOCCCNCOOCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s9;d11;s11;s11;s14;s15;s16;s16;d18;s18;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OEKGPRKVGMSCTI_on_O15303_WT,Low,ChEMBL30,CHEMBL4094636,CS(=O)(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,OEKGPRKVGMSCTI,OEKGPRKVGMSCTI-UHFFFAOYSA-N,"InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,7,21,6,22,15,14,8,5,16,18,9,17,19,20,10,12,13,3,4,11,2/E:(2,3)(4,5)(14,15)(17,18)(19,20)/CRV:22.6/rA:22CSOOCCCCCOPOOCCCNCOOCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s9;d11;s11;s11;s14;s15;s16;s16;d18;s18;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OEKGPRKVGMSCTI_on_Q14831_WT,Low,ChEMBL30,CHEMBL4094636,CS(=O)(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,OEKGPRKVGMSCTI,OEKGPRKVGMSCTI-UHFFFAOYSA-N,"InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,7,21,6,22,15,14,8,5,16,18,9,17,19,20,10,12,13,3,4,11,2/E:(2,3)(4,5)(14,15)(17,18)(19,20)/CRV:22.6/rA:22CSOOCCCCCOPOOCCCNCOOCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s9;d11;s11;s11;s14;s15;s16;s16;d18;s18;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OEKGPRKVGMSCTI_on_Q14833_WT,High,ChEMBL30,CHEMBL4094636,CS(=O)(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,OEKGPRKVGMSCTI,OEKGPRKVGMSCTI-UHFFFAOYSA-N,"InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,7,21,6,22,15,14,8,5,16,18,9,17,19,20,10,12,13,3,4,11,2/E:(2,3)(4,5)(14,15)(17,18)(19,20)/CRV:22.6/rA:22CSOOCCCCCOPOOCCCNCOOCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;s9;d11;s11;s11;s14;s15;s16;s16;d18;s18;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-OELJWSCTEOSSHN_on_O00222_WT,High,ExCAPE-DB,16545124,CC(=O)Nc1ccc(OCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,OELJWSCTEOSSHN,OELJWSCTEOSSHN-UHFFFAOYSA-N,"InChI=1S/C23H22F2N2O4/c1-14-12-21(15(2)27(14)18-6-10-20(11-7-18)31-23(24)25)22(29)13-30-19-8-4-17(5-9-19)26-16(3)28/h4-12,23H,13H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,23,24,4,16,3,12,9,21/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:31CCONCCCCOCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;s22;s22;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.456,5.456,0.0,0.0,1.0,5.456,0.0
-OELJWSCTEOSSHN_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560612,CC(=O)Nc1ccc(OCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,OELJWSCTEOSSHN,OELJWSCTEOSSHN-UHFFFAOYSA-N,"InChI=1S/C23H22F2N2O4/c1-14-12-21(15(2)27(14)18-6-10-20(11-7-18)31-23(24)25)22(29)13-30-19-8-4-17(5-9-19)26-16(3)28/h4-12,23H,13H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,23,24,4,16,3,12,9,21/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:31CCONCCCCOCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;s22;s22;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OELJWSCTEOSSHN_on_Q14833_WT,High,ExCAPE-DB,16545124,CC(=O)Nc1ccc(OCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,OELJWSCTEOSSHN,OELJWSCTEOSSHN-UHFFFAOYSA-N,"InChI=1S/C23H22F2N2O4/c1-14-12-21(15(2)27(14)18-6-10-20(11-7-18)31-23(24)25)22(29)13-30-19-8-4-17(5-9-19)26-16(3)28/h4-12,23H,13H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,23,24,4,16,3,12,9,21/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:31CCONCCCCOCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;s22;s22;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OELKXJHZARSUDW_on_Q14416_WT,High,ChEMBL30,CHEMBL2179313,FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12,OELKXJHZARSUDW,OELKXJHZARSUDW-UHFFFAOYSA-N,"InChI=1S/C19H18ClF3N4/c20-17-15(8-11-27-16(12-19(21,22)23)24-25-18(17)27)26-9-6-14(7-10-26)13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2","""AuxInfo=1/0/N:20,19,21,18,22,15,23,25,14,24,26,5,17,16,12,6,10,9,2,11,1,3,4,7,8,13,27/E:(2,3)(4,5)(6,7)(9,10)(21,22,23)/rA:27FCFFCCNNCCClCNCCCCCCCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;d10;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;s12;d25;s6s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-OELLDSZSJFKPME_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11299520;CHEMBL198209,CCOc1cc(C)cnc1Nc1cccc(C)n1,OELLDSZSJFKPME,OELLDSZSJFKPME-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c1-4-18-12-8-10(2)9-15-14(12)17-13-7-5-6-11(3)16-13/h5-9H,4H2,1-3H3,(H,15,16,17)","""AuxInfo=1/1/N:1,7,17,2,14,15,13,5,8,6,16,4,12,10,9,18,11,3/rA:18CCOCCCCCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d6;s8;s4d9;s10;s11;d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  6.924;  6.920,6.922000000000001,0.002,0.002,2.0,6.922000000000001,0.002
-OEQDIJAAWGMVOO_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,56649043;CHEMBL1921952,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cscn1,OEQDIJAAWGMVOO,OEQDIJAAWGMVOO-UHFFFAOYSA-N,"InChI=1S/C16H11N3O5S3/c20-16(13-9-25-10-17-13)18-11-5-7-12(8-6-11)19-26(21,22)14-3-1-2-4-15(14)27(19,23)24/h1-10H,(H,18,20)","""AuxInfo=1/1/N:15,16,14,17,5,22,6,21,24,26,4,7,23,13,12,2,27,3,8,1,19,20,10,11,25,18,9/E:(1,2)(3,4)(5,6)(7,8)(14,15)(21,22,23,24)(26,27)/CRV:26.6,27.6/rA:27OCNCCCCNSOOCCCCCCSOOCCCCSCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;s25;s23d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408;CHEMBL1924926,PMID:21966889,2011.0,PubChemAID:631408;PMID:21966889,2012;2011,0,0;1,0,0,1;0,,=,  6.983;  6.980,6.982,0.001,0.001,2.0,6.982,0.001
-OEQIAHHTGPDFSK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113834,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)(F)F,OEQIAHHTGPDFSK,OEQIAHHTGPDFSK-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-8-16(9-14(2)28-13)21-18-6-7-32-17(11-24)12-30(18)22(29-21)15-4-5-19(20(10-15)31-3)33-23(25,26)27/h4-5,8-10,17H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,15,1,26,27,18,19,10,16,4,22,24,11,14,5,9,21,17,28,3,8,6,30,23,31,32,33,13,7,25,2,20,29/E:(1,2)(8,9)(13,14)(25,26,27)/rA:33COCCCCNCCCCCNCCCCCCOCCFCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OEQLETQEBKEHAP_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209666,Cc1cc(C=Cc2nc(N)ncc2)ccc1,OEQLETQEBKEHAP,OEQLETQEBKEHAP-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-10-3-2-4-11(9-10)5-6-12-7-8-15-13(14)16-12/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,15,16,14,5,6,13,12,3,2,4,7,9,10,11,8/rA:16CCCCCCCNCNNCCCCC/rB:s1;d2;s3;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OEQNQVYFEFZJEX_on_P41594_WT,Medium,ChEMBL30,CHEMBL365493,Fc1cc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c(F)cc1,OEQNQVYFEFZJEX,OEQNQVYFEFZJEX-UHFFFAOYSA-N,InChI=1S/C18H11F2N5/c19-13-7-8-16(20)15(11-13)12-4-3-5-14(10-12)25-23-18(22-24-25)17-6-1-2-9-21-17/h1-11H,"""AuxInfo=1/0/N:18,17,7,6,8,19,25,24,16,21,3,5,2,9,4,22,14,13,1,23,15,12,20,11,10/rA:25FCCCCCCCCNNNCCNCCCCNCCFCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;d4;s22;s22;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-OESIHALCPHSOGD_on_O00222_WT,Low,ChEMBL30,CHEMBL4061539,NC(CCP(=O)(O)C(O)c1cccc(C(=O)O)c1)C(=O)O,OESIHALCPHSOGD,OESIHALCPHSOGD-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)4-5-21(19,20)12(18)8-3-1-2-7(6-8)10(14)15/h1-3,6,9,12,18H,4-5,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,13,11,3,4,18,14,10,2,15,19,8,1,16,17,20,21,9,6,7,5/E:(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.903,3.903,0.0,0.0,1.0,3.903,0.0
-OESIHALCPHSOGD_on_O15303_WT,Low,ChEMBL30,CHEMBL4061539,NC(CCP(=O)(O)C(O)c1cccc(C(=O)O)c1)C(=O)O,OESIHALCPHSOGD,OESIHALCPHSOGD-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)4-5-21(19,20)12(18)8-3-1-2-7(6-8)10(14)15/h1-3,6,9,12,18H,4-5,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,13,11,3,4,18,14,10,2,15,19,8,1,16,17,20,21,9,6,7,5/E:(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OESIHALCPHSOGD_on_Q14833_WT,High,ChEMBL30,CHEMBL4061539,NC(CCP(=O)(O)C(O)c1cccc(C(=O)O)c1)C(=O)O,OESIHALCPHSOGD,OESIHALCPHSOGD-UHFFFAOYSA-N,"InChI=1S/C12H16NO7P/c13-9(11(16)17)4-5-21(19,20)12(18)8-3-1-2-7(6-8)10(14)15/h1-3,6,9,12,18H,4-5,13H2,(H,14,15)(H,16,17)(H,19,20)","""AuxInfo=1/1/N:12,13,11,3,4,18,14,10,2,15,19,8,1,16,17,20,21,9,6,7,5/E:(14,15)(16,17)(19,20)/rA:21NCCCPOOCOCCCCCCOOCCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.660,4.66,0.0,0.0,1.0,4.66,0.0
-OEYKQCOFIDDHKA_on_P41594_WT,High,ChEMBL30,CHEMBL3672900,CCc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1,OEYKQCOFIDDHKA,OEYKQCOFIDDHKA-UHFFFAOYSA-N,"InChI=1S/C16H16BrN5OS/c1-2-15-19-11-3-5-21(6-4-13(11)24-15)16(23)12-7-14-18-8-10(17)9-22(14)20-12/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,23,7,22,8,21,18,15,16,5,12,6,20,3,10,17,19,4,13,9,14,11,24/rA:24CCCNCCCCNCOCNNCCBrCNCCCCS/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;s16;d18;s14s19;s12d20;s9;s5s22;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-OFBIFZUFASYYRE_on_O00591_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964;CHEMBL650829,PMID:12477354,2002.0,PMID:15828832;PMID:12477354,2005;2002,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_O14764_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964;CHEMBL650829,PMID:12477354,2002.0,PMID:15828832;PMID:12477354,2005;2002,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_P14867_WT,Medium,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL942240;CHEMBL991886,PMID:9767648,1998.0,PMID:18973287;PMID:18537233,2008,0,0,0;1,1;0,0,,=,  8.480;  8.700,8.59,0.11,0.11,2.0,8.59,0.11
-OFBIFZUFASYYRE_on_P18505_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964;CHEMBL650829,PMID:12477354,2002.0,PMID:15828832;PMID:12477354,2005;2002,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_P18507_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL824296;CHEMBL681248;CHEMBL678329;CHEMBL683045;CHEMBL681480;CHEMBL822165;CHEMBL941237;CHEMBL2327960;CHEMBL682251;CHEMBL823916;CHEMBL942241;CHEMBL839964;CHEMBL650829;CHEMBL683047,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:18973287;PMID:23121096;PMID:10633039;PMID:9767648;PMID:18973287;PMID:15828832;PMID:12477354;PMID:9767648,1998;1998;2000;2000;2000;2000;1998;2008;2013;2000;1998;2008;2005;2002;1998,0,0,0;0;0;0;0;0;0;0;1;0;0;0;0;0;0,1;1;1;1;1;1;1;1;0;1;1;1;1;1;1,0,,=,  9.220;  9.050;  9.050;  9.100;  6.830;  9.220;  9.100;  8.090;  9.350;  8.960;  8.980;  8.240;  9.050;  9.050;  6.830,8.675,0.795,0.213,15.0,9.05,0.09
-OFBIFZUFASYYRE_on_P28472_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL822165;CHEMBL650829;CHEMBL683047;CHEMBL685338;CHEMBL839964;CHEMBL824296;CHEMBL823916;CHEMBL682251;CHEMBL2327960;CHEMBL681480;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:12477354;PMID:9767648;PMID:9767648;PMID:15828832;PMID:9767648;PMID:9767648;PMID:10633039;PMID:23121096;PMID:10633039;PMID:10633039,2000;2000;1998;2002;1998;1998;2005;1998;1998;2000;2013;2000;2000,0,0,0;0;0;0;0;0;0;0;0;0;1;0;0,1;1;1;1;1;1;1;1;1;1;0;1;1,0,,=,  9.100;  9.050;  9.100;  9.050;  6.830;  9.220;  9.050;  9.050;  8.980;  8.960;  9.350;  9.220;  6.830,8.753,0.826,0.239,13.0,9.05,0.07
-OFBIFZUFASYYRE_on_P31644_WT,Medium,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9767648,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-OFBIFZUFASYYRE_on_P34903_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964;CHEMBL2327960;CHEMBL682251;CHEMBL650829;CHEMBL941237;CHEMBL823916,PMID:9767648,1998.0,PMID:15828832;PMID:23121096;PMID:10633039;PMID:12477354;PMID:18973287;PMID:9767648,2005;2013;2000;2002;2008;1998,0,0,0;1;0;0;0;0,1;0;1;1;1;1,0,,=,  9.050;  9.350;  8.960;  9.050;  8.090;  8.980,8.913,0.39,0.174,6.0,9.015,0.045
-OFBIFZUFASYYRE_on_P47869_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964;CHEMBL681248;CHEMBL824296;CHEMBL650829;CHEMBL942241,PMID:9767648,1998.0,PMID:15828832;PMID:10633039;PMID:9767648;PMID:12477354;PMID:18973287,2005;2000;1998;2002;2008,0,0,0,1,0,,=,  9.050;  9.050;  9.050;  9.050;  8.240,8.888,0.324,0.162,5.0,9.05,0.0
-OFBIFZUFASYYRE_on_P47870_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL942241;CHEMBL650829;CHEMBL839964;CHEMBL941237,PMID:12477354,2002.0,PMID:18973287;PMID:12477354;PMID:15828832;PMID:18973287,2008;2002;2005;2008,0,0,0,1,0,,=,  8.240;  9.050;  9.050;  8.090,8.607000000000001,0.446,0.257,4.0,8.645,0.405
-OFBIFZUFASYYRE_on_P48169_WT,Medium,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL942243,PMID:12477354,2002.0,PMID:18973287,2008,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-OFBIFZUFASYYRE_on_P78334_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829;CHEMBL839964,PMID:12477354,2002.0,PMID:12477354;PMID:15828832,2002;2005,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829;CHEMBL839964,PMID:12477354,2002.0,PMID:12477354;PMID:15828832,2002;2005,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964;CHEMBL650829,PMID:12477354,2002.0,PMID:15828832;PMID:12477354,2005;2002,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFBIFZUFASYYRE_on_Q16445_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829;CHEMBL839964;CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:12477354;PMID:15828832;PMID:9767648;PMID:10633039,2002;2005;1998;2000,0,0,0,1,0,,=,  9.050;  9.050;  6.830;  6.830,7.94,1.11,0.6409999999999999,4.0,7.94,1.11
-OFBIFZUFASYYRE_on_Q99928_WT,Low,ChEMBL30,CHEMBL407,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1,OFBIFZUFASYYRE,OFBIFZUFASYYRE-UHFFFAOYSA-N,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829;CHEMBL839964,PMID:12477354,2002.0,PMID:12477354;PMID:15828832,2002;2005,0,0,0,1,0,,=,  9.050;  9.050,9.05,0.0,0.0,2.0,9.05,0.0
-OFCUECGQGXCDOB_on_P41594_WT,Medium,ChEMBL30,CHEMBL248509,Cc1cc(NC(=O)c2cccc3c2nc(O)o3)ccn1,OFCUECGQGXCDOB,OFCUECGQGXCDOB-UHFFFAOYSA-N,"InChI=1S/C14H11N3O3/c1-8-7-9(5-6-15-8)16-13(18)10-3-2-4-11-12(10)17-14(19)20-11/h2-7H,1H3,(H,17,19)(H,15,16,18)","""AuxInfo=1/1/N:1,10,9,11,18,19,3,2,4,8,12,13,6,15,20,5,14,7,16,17/rA:20CCCCNCOCCCCCCNCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;d14;s15;s12s15;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-OFCZRDZKVITHRB_on_Q14833_WT,High,ChEMBL30,CHEMBL4085101,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OCCN1CCC(F)(F)CC1)cc2,OFCZRDZKVITHRB,OFCZRDZKVITHRB-UHFFFAOYSA-N,"InChI=1S/C23H21F2N3O3S/c24-23(25)4-6-28(7-5-23)8-9-30-16-1-2-20-17(11-16)18(27-29)12-21(31-20)19-13-22-15(14-26-19)3-10-32-22/h1-3,10-14,29H,4-9H2","""AuxInfo=1/0/N:31,32,10,25,29,24,30,22,21,11,18,4,14,8,9,19,17,3,6,16,5,13,26,27,28,7,2,23,1,20,15,12/E:(4,5)(6,7)(24,25)/rA:32ONCCCCNCCCCSCCOCCCCOCCNCCCFFCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s26;s26;s23s29;s19;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-OFFQUPKDTOZERU_on_P14867_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034;CHEMBL829006;CHEMBL677037,PMID:15084116,2004.0,PMID:15214791;PMID:15743180;PMID:15084116,2004;2005;2004,0,0,0,1,0,,=,  6.910;  6.800;  6.770,6.827000000000001,0.06,0.043,3.0,6.8,0.03
-OFFQUPKDTOZERU_on_P18507_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL677034;CHEMBL680435;CHEMBL677037;CHEMBL829005;CHEMBL680669;CHEMBL682082;CHEMBL829006;CHEMBL830421;CHEMBL682712;CHEMBL830420;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15743180;PMID:15214791;PMID:15084116;PMID:15743180;PMID:15743180;PMID:15084116;PMID:15743180;PMID:15214791,2004;2004;2004;2004;2005;2004;2004;2005;2005;2004;2005;2004,0,0,0,1,0,,=,  7.350;  6.910;  7.600;  6.770;  7.440;  8.520;  8.540;  6.800;  8.590;  7.340;  7.700;  7.620,7.598,0.625,0.188,12.0,7.52,0.395
-OFFQUPKDTOZERU_on_P28472_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL682712;CHEMBL680435;CHEMBL682709;CHEMBL830420;CHEMBL830421;CHEMBL682082;CHEMBL829005;CHEMBL680432;CHEMBL680669;CHEMBL677037;CHEMBL829006,PMID:15214791,2004.0,PMID:15214791;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15743180;PMID:15743180;PMID:15084116;PMID:15743180;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15743180,2004;2004;2004;2004;2005;2005;2004;2005;2004;2004;2004;2005,0,0,0,1,0,,=,  6.910;  7.340;  7.600;  7.350;  7.700;  8.590;  8.540;  7.440;  7.620;  8.520;  6.770;  6.800,7.598,0.625,0.188,12.0,7.52,0.395
-OFFQUPKDTOZERU_on_P31644_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL830421;CHEMBL682082,PMID:15084116,2004.0,PMID:15214791;PMID:15743180;PMID:15084116,2004;2005;2004,0,0,0,1,0,,=,  8.520;  8.590;  8.540,8.55,0.028999999999999998,0.021,3.0,8.54,0.02
-OFFQUPKDTOZERU_on_P34903_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL830420;CHEMBL680435,PMID:15084116,2004.0,PMID:15214791;PMID:15743180;PMID:15084116,2004;2005;2004,0,0,0,1,0,,=,  7.620;  7.700;  7.600,7.64,0.043,0.031,3.0,7.62,0.02
-OFFQUPKDTOZERU_on_P47869_WT,Low,ChEMBL30,CHEMBL68712,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,OFFQUPKDTOZERU,OFFQUPKDTOZERU-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,3,14,18,5,26,28,25,29,7,2,27,24,13,6,22,23,12,21,9,30,19,20,10,11,8/E:(3,4)(7,8)(10,11)(12,13)/rA:30CCCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682712;CHEMBL829005;CHEMBL682709,PMID:15084116,2004.0,PMID:15084116;PMID:15743180;PMID:15214791,2004;2005;2004,0,0,0,1,0,,=,  7.340;  7.440;  7.350,7.377000000000001,0.045,0.032,3.0,7.35,0.01
-OFGGBOSTUUGJKT_on_P41594_WT,High,ChEMBL30,CHEMBL2349543,COc1ccc(-c2c(C)c(C(=O)Nc3cccc(C)n3)nn2C)cc1,OFGGBOSTUUGJKT,OFGGBOSTUUGJKT-UHFFFAOYSA-N,"InChI=1S/C19H20N4O2/c1-12-6-5-7-16(20-12)21-19(24)17-13(2)18(23(3)22-17)14-8-10-15(25-4)11-9-14/h5-11H,1-4H3,(H,20,21,24)","""AuxInfo=1/1/N:19,9,23,1,16,17,15,5,24,4,25,18,8,6,3,14,10,7,11,20,13,21,22,12,2/E:(8,9)(10,11)/rA:25COCCCCCCCCCONCCCCCCNNNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s11;s13;d14;s15;d16;s17;s18;s14d18;d10;s7s21;s22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OFGIZFXJRFHYNA_on_P14867_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-OFGIZFXJRFHYNA_on_P18507_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685337;CHEMBL822162;CHEMBL824294;CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.570;  6.740;  6.540;  6.520,6.593,0.087,0.05,4.0,6.555,0.025
-OFGIZFXJRFHYNA_on_P28472_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL685337;CHEMBL822162;CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.540;  6.570;  6.740;  6.520,6.5920000000000005,0.087,0.05,4.0,6.555,0.025
-OFGIZFXJRFHYNA_on_P31644_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-OFGIZFXJRFHYNA_on_P34903_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-OFGIZFXJRFHYNA_on_P47869_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-OFGIZFXJRFHYNA_on_Q16445_WT,Low,ChEMBL30,CHEMBL87437,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC,OFGIZFXJRFHYNA,OFGIZFXJRFHYNA-UHFFFAOYSA-N,"InChI=1S/C27H24N2O3/c1-3-20-25-22-14-19(32-16-18-10-7-9-17-8-5-6-11-21(17)18)12-13-23(22)29-24(25)15-28-26(20)27(30)31-4-2/h5-15,29H,3-4,16H2,1-2H3","""AuxInfo=1/0/N:32,1,31,2,23,24,19,22,20,18,25,27,28,13,8,16,21,17,14,30,26,12,11,9,29,6,4,7,10,5,3,15/rA:32CCOCOCNCCNCCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s22;d23;s24;s17s21d25;s14;s11d27;s9s12;s6d29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OFHHFXKOVBOQJU_on_P41594_WT,Medium,ChEMBL30,CHEMBL4113075;CHEMBL3915745;CHEMBL4107551;CHEMBL4113075,CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21,OFHHFXKOVBOQJU,OFHHFXKOVBOQJU-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,13,17,21,24,11,10,8,7,18,12,9,20,6,25,5,3,19,2,4/E:(3,4)(7,8)/rA:25CNCOCCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s23;s2s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.080;  7.080;  7.000;  6.730,6.973,0.14400000000000002,0.083,4.0,7.04,0.04
-OFLFGTPTGVETJG_on_O00222_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4688240,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFLFGTPTGVETJG_on_O15303_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4688244,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFLFGTPTGVETJG_on_Q13255_WT,High,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431;CHEMBL3762431;CHEMBL3789901;CHEMBL4688232,PMID:26778256,2016.0,PMID:26778256;PMID:26778256;PMID:26988302;PMID:33253881,2016;2016;2016;2021,0,1,0,0,0,,=,  7.940;  4.940;  7.590;  7.660,7.032,1.215,0.7020000000000001,4.0,7.625,0.175
-OFLFGTPTGVETJG_on_Q14416_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4688242,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFLFGTPTGVETJG_on_Q14831_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4688236,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFLFGTPTGVETJG_on_Q14832_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4688243,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFLFGTPTGVETJG_on_Q14833_WT,Low,ChEMBL30,CHEMBL3758746,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1,OFLFGTPTGVETJG,OFLFGTPTGVETJG-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,10,4,11,19,20,28,24,2,17,9,5,27,22,12,16,14,6,25,23,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCFCCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s22;s9d22;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4688234,PMID:33253881,2021.0,PMID:33253881,2021,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OFMNNPTVFPHRMM_on_P41594_WT,High,ChEMBL30,CHEMBL440220,COc1cc(C#Cc2csc(C)n2)ccc1,OFMNNPTVFPHRMM,OFMNNPTVFPHRMM-UHFFFAOYSA-N,"InChI=1S/C13H11NOS/c1-10-14-12(9-16-10)7-6-11-4-3-5-13(8-11)15-2/h3-5,8-9H,1-2H3","""AuxInfo=1/0/N:12,1,15,14,16,6,7,4,9,11,5,8,3,13,2,10/rA:16COCCCCCCCSCCNCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-OFNVYYXEOJUGRH_on_P41594_WT,High,ChEMBL30,CHEMBL3086712,COC(=O)N1CCC2CC(O)(C#Cc3cc(C)ccc3)C2C1,OFNVYYXEOJUGRH,OFNVYYXEOJUGRH-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)6-8-18(21)11-15-7-9-19(12-16(15)18)17(20)22-2/h3-5,10,15-16,21H,7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,19,18,20,13,7,12,6,15,9,22,16,14,8,21,3,10,5,4,11,2/rA:22COCONCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s10;t12;s13;d14;s15;s16;d16;s18;s14d19;s8s10;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-OFPPFTXIERVMMB_on_Q05586_WT,Low,ChEMBL30,CHEMBL161008,N=C(C=Cc1ccccc1)NCc1ccc(Cl)cc1,OFPPFTXIERVMMB,OFPPFTXIERVMMB-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,6,10,14,19,4,15,18,3,12,5,13,16,2,17,1,11/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCCCNCCCCCClCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-OFPPFTXIERVMMB_on_Q13224_WT,Low,ChEMBL30,CHEMBL161008,N=C(C=Cc1ccccc1)NCc1ccc(Cl)cc1,OFPPFTXIERVMMB,OFPPFTXIERVMMB-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,6,10,14,19,4,15,18,3,12,5,13,16,2,17,1,11/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCCCNCCCCCClCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-OFVGJIXFUGLCKX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71449413;CHEMBL2151818,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)cc1)C(C)(C)C,OFVGJIXFUGLCKX,OFVGJIXFUGLCKX-UHFFFAOYSA-N,"InChI=1S/C20H24FNO2/c1-14(20(2,3)4)22-19(23)16-8-10-18(11-9-16)24-13-15-6-5-7-17(21)12-15/h5-12,14H,13H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,20,8,19,13,11,2,12,6,14,9,4,21,15,3,5,10/E:(2,3,4)(8,9)(10,11)/rA:24CCNCOCCCCOCCCCFCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:690986;CHEMBL2156072,PMID:22981332,2012.0,PubChemAID:690986;PMID:22981332,2013;2012,0,0;1,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-OFWYSAPZZFPRPH_on_Q14833_WT,High,ChEMBL30,CHEMBL4249753,Cc1nn(C)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,OFWYSAPZZFPRPH,OFWYSAPZZFPRPH-UHFFFAOYSA-N,"InChI=1S/C15H14N6/c1-9-11-8-10(5-6-13(11)21(2)20-9)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,1-2H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,5,15,16,20,21,14,8,2,9,7,17,6,12,11,13,10,18,19,3,4/rA:21CCNNCCCCCNCCNCCCCNNCC/rB:s1;d2;s3;s4;s4;s2d6;s7;d8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;s11s18;s9;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-OFYGMWCDZXZHOH_on_O15399_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_O60391_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_Q05586_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_Q12879_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_Q13224_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFYGMWCDZXZHOH_on_Q14957_WT,Low,ChEMBL30,CHEMBL42482,CCc1c(Cl)cc2nc(O)c(O)nc2c1,OFYGMWCDZXZHOH,OFYGMWCDZXZHOH-UHFFFAOYSA-N,"InChI=1S/C10H9ClN2O2/c1-2-5-3-7-8(4-6(5)11)13-10(15)9(14)12-7/h3-4H,2H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,2,15,6,3,4,14,7,11,9,5,13,8,12,10/rA:15CCCCClCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-OFZXYDMOFDSGKO_on_Q14833_WT,Low,ChEMBL30,CHEMBL1922768,Cn1cc(-c2ccccc2OCC(=O)c2ccc(Cl)nc2)cn1,OFZXYDMOFDSGKO,OFZXYDMOFDSGKO-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O2/c1-21-10-13(9-20-21)14-4-2-3-5-16(14)23-11-15(22)12-6-7-17(18)19-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,7,8,6,9,16,17,21,22,3,12,15,4,5,13,10,18,19,20,23,2,14,11/rA:23CNCCCCCCCCOCCOCCCCClNCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s18;s15d20;s4;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGACDUCHEFKXNL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3896135,O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2C1C(F)(F)F,OGACDUCHEFKXNL,OGACDUCHEFKXNL-UHFFFAOYSA-N,"InChI=1S/C21H17F4N3O2/c22-15-8-6-14(7-9-15)20(29)27-10-11-28-18(19(27)21(23,24)25)12-16(26-28)13-30-17-4-2-1-3-5-17/h1-9,12,19H,10-11,13H2","""AuxInfo=1/0/N:21,20,22,19,23,4,9,5,8,11,12,24,16,3,6,15,18,25,26,2,27,7,28,29,30,14,10,13,1,17/E:(2,3)(4,5)(6,7)(8,9)(23,24,25)/rA:30OCCCCCFCCNCCNNCCOCCCCCCCCCCFFF/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s13d24;s10s25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-OGAVVWZTKYWFNT_on_O15399_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_O60391_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGAVVWZTKYWFNT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194667,CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2,OGAVVWZTKYWFNT,OGAVVWZTKYWFNT-UHFFFAOYSA-N,"InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)","""AuxInfo=1/1/N:1,7,19,20,18,21,3,5,22,8,23,9,4,16,15,12,2,6,10,17,13,14,11/E:(1,2)(7,8)(11,12)(17,18)/rA:23CCCCCCCCCCNCNNCCICCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;s16;d18;s19;s15d20;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OGBTVLIUFUJHTH_on_P14867_WT,Low,ChEMBL30,CHEMBL1644823,Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1,OGBTVLIUFUJHTH,OGBTVLIUFUJHTH-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)","""AuxInfo=1/1/N:1,16,15,17,14,18,3,4,22,2,13,21,5,20,7,10,6,19,9,12,8,11/E:(3,4)(5,6)/rA:22CCCCCNCONCONCCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1648949,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.370,9.37,0.0,0.0,1.0,9.37,0.0
-OGBTVLIUFUJHTH_on_P18507_WT,Low,ChEMBL30,CHEMBL1644823,Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1,OGBTVLIUFUJHTH,OGBTVLIUFUJHTH-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)","""AuxInfo=1/1/N:1,16,15,17,14,18,3,4,22,2,13,21,5,20,7,10,6,19,9,12,8,11/E:(3,4)(5,6)/rA:22CCCCCNCONCONCCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1648947;CHEMBL1648949;CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.890;  9.370;  9.000,9.087,0.205,0.145,3.0,9.0,0.11
-OGBTVLIUFUJHTH_on_P28472_WT,Low,ChEMBL30,CHEMBL1644823,Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1,OGBTVLIUFUJHTH,OGBTVLIUFUJHTH-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)","""AuxInfo=1/1/N:1,16,15,17,14,18,3,4,22,2,13,21,5,20,7,10,6,19,9,12,8,11/E:(3,4)(5,6)/rA:22CCCCCNCONCONCCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1648947;CHEMBL1648949;CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.890;  9.370;  9.000,9.087,0.205,0.145,3.0,9.0,0.11
-OGBTVLIUFUJHTH_on_P34903_WT,Low,ChEMBL30,CHEMBL1644823,Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1,OGBTVLIUFUJHTH,OGBTVLIUFUJHTH-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)","""AuxInfo=1/1/N:1,16,15,17,14,18,3,4,22,2,13,21,5,20,7,10,6,19,9,12,8,11/E:(3,4)(5,6)/rA:22CCCCCNCONCONCCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1648947,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-OGBTVLIUFUJHTH_on_P47869_WT,Low,ChEMBL30,CHEMBL1644823,Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1,OGBTVLIUFUJHTH,OGBTVLIUFUJHTH-UHFFFAOYSA-N,"InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)","""AuxInfo=1/1/N:1,16,15,17,14,18,3,4,22,2,13,21,5,20,7,10,6,19,9,12,8,11/E:(3,4)(5,6)/rA:22CCCCCNCONCONCCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1648948,PMID:21163663,2011.0,PMID:21163663,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-OGGQZEFPKXHPFF_on_P31644_WT,High,ChEMBL30,CHEMBL3676532,Cc1c(COc2ccc(C(=O)N3CCC34COC4)cn2)c(-c2ccccc2)no1,OGGQZEFPKXHPFF,OGGQZEFPKXHPFF-UHFFFAOYSA-N,"InChI=1S/C22H21N3O4/c1-15-18(20(24-29-15)16-5-3-2-4-6-16)12-28-19-8-7-17(11-23-19)21(26)25-10-9-22(25)13-27-14-22/h2-8,11H,9-10,12-14H2,1H3","""AuxInfo=1/0/N:1,25,24,26,23,27,8,7,14,13,19,4,16,18,2,22,9,3,6,21,10,15,20,28,12,11,17,5,29/E:(3,4)(5,6)(13,14)/rA:29CCCCOCCCCCONCCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s12s14;s15;s16;s15s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-OGIBYDWBTRKAOL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,10198811;CHEMBL365499,N#Cc1cc(-n2nnc(-c3ccccn3)n2)ccc1,OGIBYDWBTRKAOL,OGIBYDWBTRKAOL-UHFFFAOYSA-N,InChI=1S/C13H8N6/c14-9-10-4-3-5-11(8-10)19-17-13(16-18-19)12-6-1-2-7-15-12/h1-8H,"""AuxInfo=1/0/N:12,13,18,19,17,11,14,4,2,3,5,10,9,1,15,8,16,7,6/rA:19NCCCCNNNCCCCCCNNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s6d9;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:248415;CHEMBL833257,PMID:15341479,2004.0,PubChemAID:248415;PMID:15341479,2010;2004,0;1,0,0,0,1;0,,=,  7.155;  7.160,7.1579999999999995,0.002,0.002,2.0,7.1579999999999995,0.002
-OGJDPWUWMJHCLG_on_P41594_WT,Low,ChEMBL30,CHEMBL3597587,O=C(c1nc2c(cccc2)nc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1,OGJDPWUWMJHCLG,OGJDPWUWMJHCLG-UHFFFAOYSA-N,"InChI=1S/C18H16N6O3/c25-18(15-12-20-13-4-1-2-5-14(13)21-15)23-10-8-22(9-11-23)17-16(24(26)27)6-3-7-19-17/h1-7,12H,8-11H2","""AuxInfo=1/0/N:8,9,20,7,10,21,19,15,26,14,27,12,6,5,3,22,17,2,18,11,4,16,13,23,1,24,25/E:(8,9)(10,11)(26,27)/CRV:24.5/rA:27OCCNCCCCCCNCNCCNCNCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s3d11;s2;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;d23;s23;s16;s13s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_O15399_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_O60391_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_Q05586_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_Q12879_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_Q13224_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGJGQVFWEPNYSB_on_Q14957_WT,Low,ChEMBL30,CHEMBL267014,Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,OGJGQVFWEPNYSB,OGJGQVFWEPNYSB-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:17,18,3,23,4,22,16,8,20,7,21,12,10,11,2,5,19,14,1,15,13,9,6/E:(3,4)(5,6)(8,9)(10,11)/rA:23ClCCCCNCCNCCCNCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s9;s6s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OGMQHYBYMHHQNS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL204062;44409876,Cc1cc(N(C)C(=O)C(F)(F)F)cc(OCc2cccc(Cl)c2)n1,OGMQHYBYMHHQNS,OGMQHYBYMHHQNS-UHFFFAOYSA-N,"InChI=1S/C16H14ClF3N2O2/c1-10-6-13(22(2)15(23)16(18,19)20)8-14(21-10)24-9-11-4-3-5-12(17)7-11/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,6,19,18,20,3,23,13,16,2,17,21,4,14,7,9,22,10,11,12,24,5,8,15/E:(18,19,20)/rA:24CCCCNCCOCFFFCCOCCCCCCClCN/rB:s1;d2;s3;s4;s5;s5;d7;s7;s9;s9;s9;d4;s13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880;PubChemAID:263351,PMID:16439120,2006.0,PMID:16439120;PubChemAID:263351,2006;2010,0,0,0,1;0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-OGPGSYNCKSLJOF_on_P14867_WT,Medium,ChEMBL30,CHEMBL458144,CSC1SC(C(=O)c2ccc(Cl)cc2)C2CC(C)(C)CC(=O)C12,OGPGSYNCKSLJOF,OGPGSYNCKSLJOF-UHFFFAOYSA-N,"InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3","""AuxInfo=1/0/N:18,19,1,9,14,10,13,16,20,8,11,15,21,23,6,5,3,17,12,22,7,2,4/E:(1,2)(4,5)(6,7)/rA:23CSCSCCOCCCCClCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s16;s17;s17;s17;s20;d21;s3s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-OGPGSYNCKSLJOF_on_P31644_WT,Medium,ChEMBL30,CHEMBL458144,CSC1SC(C(=O)c2ccc(Cl)cc2)C2CC(C)(C)CC(=O)C12,OGPGSYNCKSLJOF,OGPGSYNCKSLJOF-UHFFFAOYSA-N,"InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3","""AuxInfo=1/0/N:18,19,1,9,14,10,13,16,20,8,11,15,21,23,6,5,3,17,12,22,7,2,4/E:(1,2)(4,5)(6,7)/rA:23CSCSCCOCCCCClCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;s16;s17;s17;s17;s20;d21;s3s15s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-OGQFFTSKNPHVFD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL107948,CC(C)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,OGQFFTSKNPHVFD,OGQFFTSKNPHVFD-UHFFFAOYSA-N,"InChI=1S/C18H21F3N2O3S/c1-14(2)12-26-17-7-3-6-16(9-17)23(11-15-5-4-8-22-10-15)27(24,25)13-18(19,20)21/h3-10,14H,11-13H2,1-2H3","""AuxInfo=1/0/N:1,3,8,17,18,9,7,16,27,14,12,4,22,2,13,10,6,23,24,25,26,15,11,20,21,5,19/E:(1,2)(19,20,21)(24,25)/CRV:27.6/rA:27CCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;d19;d19;s19;s22;s23;s23;s23;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-OGRBIYLJRMIQJY_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL364324;10413231,CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1,OGRBIYLJRMIQJY,OGRBIYLJRMIQJY-UHFFFAOYSA-N,"InChI=1S/C22H25BrN4O4/c1-14(2)13-18(28)17-9-10-19(20(23)21(17)29)31-12-4-3-11-30-16-7-5-15(6-8-16)22-24-26-27-25-22/h5-10,14,29H,3-4,11-13H2,1-2H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,3,16,15,21,28,20,29,31,30,17,14,4,2,22,19,7,5,12,10,8,23,11,24,27,25,26,6,9,18,13/E:(1,2)(5,6)(7,8)(24,25)(26,27)/rA:31CCCCCOCCOCBrCOCCCCOCCCCCNNNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s8;s10;d10;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;d23;s24;s25;s23d26;s22;s19d28;s12;s7d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  7.030;  7.032,7.031000000000001,0.001,0.001,2.0,7.031000000000001,0.001
-OGSDZXPZNRYVRJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676459,COC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,OGSDZXPZNRYVRJ,OGSDZXPZNRYVRJ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-12-15(17(20-24-12)13-6-4-3-5-7-13)11-23-16-9-8-14(10-19-16)18(21)22-2/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:13,1,20,19,21,18,22,6,7,24,10,12,17,5,11,8,16,3,23,15,4,2,9,14/E:(4,5)(6,7)/rA:24COCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-OGUGLTKFHWRPRI_on_P41594_WT,Medium,ChEMBL30,CHEMBL186581,Fc1ccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cc1,OGUGLTKFHWRPRI,OGUGLTKFHWRPRI-UHFFFAOYSA-N,InChI=1S/C18H11F2N5/c19-14-6-4-12(5-7-14)13-9-15(20)11-16(10-13)25-23-18(22-24-25)17-3-1-2-8-21-17/h1-11H,"""AuxInfo=1/0/N:20,19,21,4,24,3,25,18,7,23,10,5,6,2,8,11,16,15,1,9,17,14,22,13,12/E:(4,5)(6,7)/rA:25FCCCCCCCFCCNNNCCNCCCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s6d11;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-OGZNOTUYMHUJHG_on_P41594_WT,High,ChEMBL30,CHEMBL3672912,Cn1c2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)sc1=O,OGZNOTUYMHUJHG,OGZNOTUYMHUJHG-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O2S/c1-19-11-2-4-20(5-3-12(11)24-15(19)23)14(22)10-6-13-17-7-9(16)8-21(13)18-10/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,21,5,20,6,19,16,13,14,10,3,4,18,8,23,15,17,11,2,7,12,9,24,22/rA:24CNCCCCNCOCNNCCBrCNCCCCSCO/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;s14;d16;s12s17;s10d18;s7;s3s20;s4;s2s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-OGZWYHFVQMYPED_on_P14867_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-OGZWYHFVQMYPED_on_P18507_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.580;  7.420;  7.270;  8.570,7.46,0.715,0.413,4.0,7.345,0.42
-OGZWYHFVQMYPED_on_P28472_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.420;  7.270;  6.580;  8.570,7.46,0.715,0.413,4.0,7.345,0.42
-OGZWYHFVQMYPED_on_P31644_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OGZWYHFVQMYPED_on_P34903_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-OGZWYHFVQMYPED_on_P47869_WT,Low,ChEMBL30,CHEMBL361105,c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1,OGZWYHFVQMYPED,OGZWYHFVQMYPED-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-11-24-17(5-1)13-29-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)16-4-3-10-23-12-16/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:29,1,15,16,28,24,26,23,27,14,2,12,5,25,22,11,4,20,21,10,19,7,13,3,17,18,8,9,6/E:(6,7)(8,9)/rA:29CCNCCOCNNCCCNCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OHIHVNYWJFNZHQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3545861,NC1(C(=O)O)CC1Cc1nsnc1O,OHIHVNYWJFNZHQ,OHIHVNYWJFNZHQ-UHFFFAOYSA-N,"InChI=1S/C7H9N3O3S/c8-7(6(12)13)2-3(7)1-4-5(11)10-14-9-4/h3H,1-2,8H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,13,3,2,1,10,12,14,4,5,11/E:(12,13)/rA:14NCCOOCCCCNSNCO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s10;s11;s9d12;s13;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3391359;CHEMBL3391365,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,1;0,0,0;1,0,,=,  5.520;  5.520,5.52,0.0,0.0,2.0,5.52,0.0
-OHIHVNYWJFNZHQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL3545861,NC1(C(=O)O)CC1Cc1nsnc1O,OHIHVNYWJFNZHQ,OHIHVNYWJFNZHQ-UHFFFAOYSA-N,"InChI=1S/C7H9N3O3S/c8-7(6(12)13)2-3(7)1-4-5(11)10-14-9-4/h3H,1-2,8H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:8,6,7,9,13,3,2,1,10,12,14,4,5,11/E:(12,13)/rA:14NCCOOCCCCNSNCO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s10;s11;s9d12;s13;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3391360;CHEMBL3391366,DOI:10.1039/C1MD00186H,2011.0,DOI:10.1039/C1MD00186H,2011,0,1;0,0,0;1,0,,=,  3.600;  3.600,3.6,0.0,0.0,2.0,3.6,0.0
-OHKJESZTLRXJBS_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023463,OCCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,OHKJESZTLRXJBS,OHKJESZTLRXJBS-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c25-11-4-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-2-1-3-6-17/h1-3,5-10,13-15,25H,4,11-12H2","""AuxInfo=1/0/N:17,16,18,3,15,19,7,8,22,23,2,4,26,21,12,11,14,6,10,9,25,24,20,13,1,5/E:(2,3)(5,6)/rA:26OCCCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s13;s11d20;d10;s22;d23;s9s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OHOHLNQWBBBCAO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2153787;71462055,Cc1nc(NC(=O)c2nc(C)c(C)c3c2[nH]cc3)ccc1,OHOHLNQWBBBCAO,OHOHLNQWBBBCAO-UHFFFAOYSA-N,"InChI=1S/C16H16N4O/c1-9-5-4-6-13(18-9)20-16(21)15-14-12(7-8-17-14)10(2)11(3)19-15/h4-8,17H,1-3H3,(H,18,20,21)","""AuxInfo=1/1/N:1,13,11,20,21,19,18,17,2,12,10,14,4,15,8,6,16,3,9,5,7/rA:21CCNCNCOCNCCCCCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s12;s8d14;s15;s16;s14d17;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622;PubChemAID:690762,PMID:22963764,2012.0,PMID:22963764;PubChemAID:690762,2012;2013,1;0,0,0,0,0;1,,=,  5.570;  5.569,5.569,0.0,0.0,2.0,5.569,0.001
-OHOHZQSGKUJKSI_on_P41594_WT,Low,ChEMBL30,CHEMBL365767,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1c(O)cccc1,OHOHZQSGKUJKSI,OHOHZQSGKUJKSI-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c26-20-14-8-7-13-18(20)22(27)23-21-15-19(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,26H,(H,23,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,26,25,8,12,16,20,27,24,5,7,15,21,6,22,4,2,3,13,14,23,1/E:(3,4)(5,6)(9,10)(11,12)/rA:27OCNCCCCCCCCCNNCCCCCCCCOCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OHPWCFZNMSTUHB_on_Q13255_WT,High,ChEMBL30,CHEMBL3800589,O=C(Nc1nccs1)C1c2ccccc2Oc2c1cccc2,OHPWCFZNMSTUHB,OHPWCFZNMSTUHB-UHFFFAOYSA-N,"InChI=1S/C17H12N2O2S/c20-16(19-17-18-9-10-22-17)15-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)15/h1-10,15H,(H,18,19,20)","""AuxInfo=1/1/N:12,20,13,21,11,19,14,22,6,7,10,18,15,17,9,2,4,5,3,1,16,8/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)/rA:22OCNCNCCSCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s4s7;s2;s9;d10;s11;d12;s13;s10d14;s15;s16;s9d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-OHQZQEGFDROPEO_on_O15303_WT,Low,ChEMBL30,CHEMBL3805883,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2,OHQZQEGFDROPEO,OHQZQEGFDROPEO-UHFFFAOYSA-N,"InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s15s19s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OHQZQEGFDROPEO_on_P41594_WT,Low,ChEMBL30,CHEMBL3805883,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2,OHQZQEGFDROPEO,OHQZQEGFDROPEO-UHFFFAOYSA-N,"InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s15s19s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OHQZQEGFDROPEO_on_Q14416_WT,High,ChEMBL30,CHEMBL3805883,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2,OHQZQEGFDROPEO,OHQZQEGFDROPEO-UHFFFAOYSA-N,"InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s15s19s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-OHQZQEGFDROPEO_on_Q14832_WT,Low,ChEMBL30,CHEMBL3805883,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2,OHQZQEGFDROPEO,OHQZQEGFDROPEO-UHFFFAOYSA-N,"InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s15s19s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OHQZQEGFDROPEO_on_Q14833_WT,Low,ChEMBL30,CHEMBL3805883,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2,OHQZQEGFDROPEO,OHQZQEGFDROPEO-UHFFFAOYSA-N,"InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,22,17,20,18,23,26,25,16,6,19,24,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)/rA:26CNCONCCCCCCCNCNCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s15s19s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OHTNGFRHJDYZSO_on_O00591_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_O14764_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P14867_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P18505_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P18507_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P28472_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P31644_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P34903_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P41594_WT,High,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.480;  7.800,7.64,0.16,0.16,2.0,7.64,0.16
-OHTNGFRHJDYZSO_on_P47869_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P47870_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P48169_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_P78334_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTNGFRHJDYZSO_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410224,Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1,OHTNGFRHJDYZSO,OHTNGFRHJDYZSO-UHFFFAOYSA-N,"InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3","""AuxInfo=1/0/N:15,1,6,23,5,24,8,9,13,20,14,2,7,21,18,4,17,11,12,22,19,10,3,16/rA:24CCNCCCCCCNCClCCCNCCFCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2s14;s16;d17;s18;s18;d20;s21;s21;s17d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OHTXGRBSSODLLV_on_P18507_WT,Low,ChEMBL30,CHEMBL565557,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(C)c3)-n2cn1,OHTXGRBSSODLLV,OHTXGRBSSODLLV-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-20-9-18-19-15(20)11-6-10(2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-OHTXGRBSSODLLV_on_P28472_WT,Low,ChEMBL30,CHEMBL565557,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(C)c3)-n2cn1,OHTXGRBSSODLLV,OHTXGRBSSODLLV-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-20-9-18-19-15(20)11-6-10(2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-OHTXGRBSSODLLV_on_P31644_WT,Low,ChEMBL30,CHEMBL565557,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(C)c3)-n2cn1,OHTXGRBSSODLLV,OHTXGRBSSODLLV-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-20-9-18-19-15(20)11-6-10(2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,5,3/rA:23CCOCOCCCNCNNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-OHUBCQFRKYHSES_on_P41594_WT,Low,ChEMBL30,CHEMBL3655619,O=C(Nc1ccnc(Oc2cncnc2)c1)c1cc(Br)ccc1,OHUBCQFRKYHSES,OHUBCQFRKYHSES-UHFFFAOYSA-N,"InChI=1S/C16H11BrN4O2/c17-12-3-1-2-11(6-12)16(22)21-13-4-5-20-15(7-13)23-14-8-18-10-19-9-14/h1-10H,(H,20,21,22)","""AuxInfo=1/1/N:22,23,21,5,6,18,16,11,15,13,17,19,4,10,8,2,20,12,14,7,3,1,9/E:(8,9)(18,19)/rA:23OCNCCCNCOCCNCNCCCCCBrCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OHXDZMRKYJSXLE_on_P41594_WT,High,ChEMBL30,CHEMBL208391,Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1Cl,OHXDZMRKYJSXLE,OHXDZMRKYJSXLE-UHFFFAOYSA-N,InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H,"""AuxInfo=1/0/N:14,15,13,4,3,8,16,9,19,5,2,20,12,7,11,1,21,17,10,18,6/rA:21ClCCCCSCCCNCCCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-OHYAXRDMSLZLIC_on_P41594_WT,High,ChEMBL30,CHEMBL3672899,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)scc2,OHYAXRDMSLZLIC,OHYAXRDMSLZLIC-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4OS/c16-11-8-17-14-7-12(18-20(14)9-11)15(21)19-4-1-10-3-6-22-13(10)2-5-19/h3,6-9H,1-2,4-5H2","""AuxInfo=1/0/N:15,18,22,14,19,21,12,9,6,16,7,3,17,11,2,8,10,4,13,5,1,20/rA:22OCCNNCCBrCNCCNCCCCCCSCC/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;s20;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-OHYMOQNKNZPCGJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3330805,O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccccc1)cs2,OHYMOQNKNZPCGJ,OHYMOQNKNZPCGJ-UHFFFAOYSA-N,InChI=1S/C18H11ClN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,17,21,10,13,9,14,22,6,16,11,8,15,4,3,2,12,5,7,1,23/E:(2,3)(4,5)(6,7)(8,9)/rA:23OCCCNCNCCCCClCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-OIESNVCCCLZHJE_on_P31644_WT,High,ChEMBL30,CHEMBL3681573,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccccn2)no1,OIESNVCCCLZHJE,OIESNVCCCLZHJE-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-13-16(19(24-27-13)17-4-2-3-9-21-17)12-26-18-8-7-15(11-22-18)20(25)23-10-14-5-6-14/h2-4,7-9,11,14H,5-6,10,12H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,22,23,21,15,16,8,7,24,13,17,4,2,14,9,3,20,6,19,10,25,18,12,26,11,5,27/E:(5,6)/rA:27CCCCOCCCCCONCCCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-OIFHTMLNBMLSPV_on_P14867_WT,Medium,ChEMBL30,CHEMBL356806,O=C(c1cc(F)ccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,OIFHTMLNBMLSPV,OIFHTMLNBMLSPV-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,8,9,7,25,22,12,11,4,15,26,3,5,19,14,20,13,18,16,2,28,6,21,17,30,10,27,1,29/rA:30OCCCCFCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-OIFHTMLNBMLSPV_on_P31644_WT,Medium,ChEMBL30,CHEMBL356806,O=C(c1cc(F)ccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,OIFHTMLNBMLSPV,OIFHTMLNBMLSPV-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,8,9,7,25,22,12,11,4,15,26,3,5,19,14,20,13,18,16,2,28,6,21,17,30,10,27,1,29/rA:30OCCCCFCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-OIFHTMLNBMLSPV_on_P34903_WT,Medium,ChEMBL30,CHEMBL356806,O=C(c1cc(F)ccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,OIFHTMLNBMLSPV,OIFHTMLNBMLSPV-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,8,9,7,25,22,12,11,4,15,26,3,5,19,14,20,13,18,16,2,28,6,21,17,30,10,27,1,29/rA:30OCCCCFCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-OIFHTMLNBMLSPV_on_P47869_WT,Medium,ChEMBL30,CHEMBL356806,O=C(c1cc(F)ccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,OIFHTMLNBMLSPV,OIFHTMLNBMLSPV-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,8,9,7,25,22,12,11,4,15,26,3,5,19,14,20,13,18,16,2,28,6,21,17,30,10,27,1,29/rA:30OCCCCFCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-OIFRIFPZTMMMSX_on_P41594_WT,Low,ChEMBL30,CHEMBL224356,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)c(C)c1,OIFRIFPZTMMMSX,OIFRIFPZTMMMSX-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3","""AuxInfo=1/0/N:1,24,16,17,3,4,18,19,25,7,2,23,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(3,4)/rA:25CCCCCNCNCCSCCCNCCCCNCOCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s23;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OIFRIFPZTMMMSX_on_Q13255_WT,High,ChEMBL30,CHEMBL224356,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)c(C)c1,OIFRIFPZTMMMSX,OIFRIFPZTMMMSX-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3","""AuxInfo=1/0/N:1,24,16,17,3,4,18,19,25,7,2,23,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(3,4)/rA:25CCCCCNCNCCSCCCNCCCCNCOCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s23;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OIKCREAGTIJWOO_on_P14867_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034;CHEMBL677037,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  7.120;  7.130,7.125,0.005,0.005,2.0,7.125,0.005
-OIKCREAGTIJWOO_on_P18507_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680435;CHEMBL682712;CHEMBL680432;CHEMBL677037;CHEMBL682709;CHEMBL677034;CHEMBL680669;CHEMBL682082,PMID:15214791,2004.0,PMID:15084116;PMID:15084116;PMID:15214791;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  8.120;  7.770;  7.960;  7.130;  7.780;  7.120;  8.850;  8.960,7.961,0.64,0.242,8.0,7.87,0.495
-OIKCREAGTIJWOO_on_P28472_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680432;CHEMBL677034;CHEMBL682709;CHEMBL680669;CHEMBL680435;CHEMBL677037;CHEMBL682082;CHEMBL682712,PMID:15214791,2004.0,PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15084116,2004,0,0,0,1,0,,=,  7.960;  7.120;  7.780;  8.850;  8.120;  7.130;  8.960;  7.770,7.961,0.64,0.242,8.0,7.87,0.495
-OIKCREAGTIJWOO_on_P31644_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL682082;CHEMBL680669,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  8.960;  8.850,8.905,0.055,0.055,2.0,8.905,0.055
-OIKCREAGTIJWOO_on_P34903_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680435;CHEMBL680432,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  8.120;  7.960,8.04,0.08,0.08,2.0,8.04,0.08
-OIKCREAGTIJWOO_on_P47869_WT,Low,ChEMBL30,CHEMBL305068,Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1,OIKCREAGTIJWOO,OIKCREAGTIJWOO-UHFFFAOYSA-N,"InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,2,15,27,24,6,22,23,21,12,9,13,30,14,20,19,10,17,11,8,18/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682712;CHEMBL682709,PMID:15084116,2004.0,PMID:15084116;PMID:15214791,2004,0,0,0,1,0,,=,  7.770;  7.780,7.775,0.005,0.005,2.0,7.775,0.005
-OILWBSOAXIAPNC_on_O00591_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_O14764_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P14867_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P18505_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P18507_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P28472_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P31644_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P34903_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P41594_WT,High,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.080;  7.160,7.12,0.04,0.04,2.0,7.12,0.04
-OILWBSOAXIAPNC_on_P47869_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P47870_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P48169_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_P78334_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OILWBSOAXIAPNC_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410217,Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1,OILWBSOAXIAPNC,OILWBSOAXIAPNC-UHFFFAOYSA-N,"InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,16,6,11,17,21,22,3,14,8,2,18,4,13,7,10,15,23,20,9/E:(4,5)(7,8)/rA:23CCCCCCCCNCCCCCNCCCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;t14;s13;s10d16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-OINGRVYZOUPCBK_on_P14867_WT,Low,ChEMBL30,CHEMBL4091891,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc([N+](=O)[O-])cn4)CCC32)C1,OINGRVYZOUPCBK,OINGRVYZOUPCBK-UHFFFAOYSA-N,"InChI=1S/C24H35N3O4/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-26-13-16(12-25-26)27(30)31/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,2,14,27,20,23,18,3,24,25/E:(30,31)/CRV:27.5/rA:31CCOCCCCCCCCCCCCCCOCNCCN+OO-CNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-OINGRVYZOUPCBK_on_P18507_WT,Low,ChEMBL30,CHEMBL4091891,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc([N+](=O)[O-])cn4)CCC32)C1,OINGRVYZOUPCBK,OINGRVYZOUPCBK-UHFFFAOYSA-N,"InChI=1S/C24H35N3O4/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-26-13-16(12-25-26)27(30)31/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,2,14,27,20,23,18,3,24,25/E:(30,31)/CRV:27.5/rA:31CCOCCCCCCCCCCCCCCOCNCCN+OO-CNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-OINGRVYZOUPCBK_on_P47870_WT,Low,ChEMBL30,CHEMBL4091891,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc([N+](=O)[O-])cn4)CCC32)C1,OINGRVYZOUPCBK,OINGRVYZOUPCBK-UHFFFAOYSA-N,"InChI=1S/C24H35N3O4/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-26-13-16(12-25-26)27(30)31/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,29,28,5,12,4,13,31,26,21,19,7,22,6,11,10,30,16,17,2,14,27,20,23,18,3,24,25/E:(30,31)/CRV:27.5/rA:31CCOCCCCCCCCCCCCCCOCNCCN+OO-CNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s23;s22;s20d26;s16;s28;s10s14s29;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-OIQCUBIJVNLQOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3944437,CC1CN(C(=O)c2cccc(C#N)c2)Cc2cc(COc3ccccc3)nn21,OIQCUBIJVNLQOQ,OIQCUBIJVNLQOQ-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-16-13-25(22(27)18-7-5-6-17(10-18)12-23)14-20-11-19(24-26(16)20)15-28-21-8-3-2-4-9-21/h2-11,16H,13-15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,9,10,8,22,26,14,17,12,3,15,19,2,11,7,18,16,21,5,13,27,4,28,6,20/E:(3,4)(8,9)/rA:28CCCNCOCCCCCCNCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;t12;s7d11;s4;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;d18;s2s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-OIRYAYABMIPBSY_on_Q13255_WT,High,ChEMBL30,CHEMBL3634444,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c3ccccc23)occ1,OIRYAYABMIPBSY,OIRYAYABMIPBSY-UHFFFAOYSA-N,"InChI=1S/C24H15FN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,21,27,24,22,20,8,9,31,30,2,28,23,14,18,7,10,15,3,4,12,16,19,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCFCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.710;  7.700,7.705,0.005,0.005,2.0,7.705,0.005
-OIRYAYABMIPBSY_on_Q14833_WT,High,ChEMBL30,CHEMBL3634444,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c3ccccc23)occ1,OIRYAYABMIPBSY,OIRYAYABMIPBSY-UHFFFAOYSA-N,"InChI=1S/C24H15FN2O4/c1-13-11-12-31-21(13)22(28)26-18-9-10-19(15-6-3-2-5-14(15)18)27-23(29)16-7-4-8-17(25)20(16)24(27)30/h2-12H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,21,27,24,22,20,8,9,31,30,2,28,23,14,18,7,10,15,3,4,12,16,19,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCFCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-OIVNHVRINWMDTH_on_P14867_WT,Low,ChEMBL30,CHEMBL224134,c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,OIVNHVRINWMDTH,OIVNHVRINWMDTH-UHFFFAOYSA-N,"InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2","""AuxInfo=1/0/N:1,14,2,29,13,15,24,25,3,28,12,16,23,26,6,21,4,11,22,5,7,10,19,27,8,9,18,17,20/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCCCCNNCCCCCCCNNCOCCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-OIVNHVRINWMDTH_on_P18507_WT,Low,ChEMBL30,CHEMBL224134,c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,OIVNHVRINWMDTH,OIVNHVRINWMDTH-UHFFFAOYSA-N,"InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2","""AuxInfo=1/0/N:1,14,2,29,13,15,24,25,3,28,12,16,23,26,6,21,4,11,22,5,7,10,19,27,8,9,18,17,20/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCCCCNNCCCCCCCNNCOCCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919087;CHEMBL919088;CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.960;  8.540;  8.740,8.747,0.172,0.121,3.0,8.74,0.2
-OIVNHVRINWMDTH_on_P28472_WT,Low,ChEMBL30,CHEMBL224134,c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,OIVNHVRINWMDTH,OIVNHVRINWMDTH-UHFFFAOYSA-N,"InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2","""AuxInfo=1/0/N:1,14,2,29,13,15,24,25,3,28,12,16,23,26,6,21,4,11,22,5,7,10,19,27,8,9,18,17,20/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCCCCNNCCCCCCCNNCOCCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919089;CHEMBL919088;CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.740;  8.540;  8.960,8.747,0.172,0.121,3.0,8.74,0.2
-OIVNHVRINWMDTH_on_P34903_WT,Low,ChEMBL30,CHEMBL224134,c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,OIVNHVRINWMDTH,OIVNHVRINWMDTH-UHFFFAOYSA-N,"InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2","""AuxInfo=1/0/N:1,14,2,29,13,15,24,25,3,28,12,16,23,26,6,21,4,11,22,5,7,10,19,27,8,9,18,17,20/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCCCCNNCCCCCCCNNCOCCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-OIVNHVRINWMDTH_on_P47869_WT,Low,ChEMBL30,CHEMBL224134,c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1,OIVNHVRINWMDTH,OIVNHVRINWMDTH-UHFFFAOYSA-N,"InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2","""AuxInfo=1/0/N:1,14,2,29,13,15,24,25,3,28,12,16,23,26,6,21,4,11,22,5,7,10,19,27,8,9,18,17,20/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCCCCNNCCCCCCCNNCOCCCCCCNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;s19;s20;s21;d22;s23;d24;s25;s22d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-OIYIEMNXOAMHCI_on_Q05586_WT,Medium,ChEMBL30,CHEMBL162400,CC(=O)c1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1,OIYIEMNXOAMHCI,OIYIEMNXOAMHCI-UHFFFAOYSA-N,"InChI=1S/C21H15Cl2N3O5/c1-10(27)11-2-4-13(5-3-11)26-17(28)9-25(21(26)31)8-14-18-15(23)6-12(22)7-16(18)24-19(14)20(29)30/h2-7,24H,8-9H2,1H3,(H,29,30)","""AuxInfo=1/1/N:1,5,31,6,30,24,21,13,11,2,4,22,7,14,25,20,9,27,15,16,28,23,26,19,12,8,3,10,17,18,29/E:(2,3)(4,5)(29,30)/rA:31CCOCCCCNCOCNCCCCOONCCCClCCClCCOCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s16;s15;s19;d20;s21;s22;d22;s24;s25;s14s20d25;s8s12;d28;s7;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-OIYPWANIGOZDRG_on_Q14833_WT,High,ChEMBL30,CHEMBL2023632,c1ccc(-n2cc(-c3ccnc4c3CCC4)cn2)cc1,OIYPWANIGOZDRG,OIYPWANIGOZDRG-UHFFFAOYSA-N,"InChI=1S/C17H15N3/c1-2-5-14(6-3-1)20-12-13(11-19-20)15-9-10-18-17-8-4-7-16(15)17/h1-3,5-6,9-12H,4,7-8H2","""AuxInfo=1/0/N:1,2,20,15,3,19,14,16,9,10,17,6,7,4,8,13,12,11,18,5/E:(2,3)(5,6)/rA:20CCCCNCCCCCNCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;s14;s12s15;s7;s5d17;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-OJAJXTQRFLTCMQ_on_P14867_WT,Low,ChEMBL30,CHEMBL364564,COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1,OJAJXTQRFLTCMQ,OJAJXTQRFLTCMQ-UHFFFAOYSA-N,"InChI=1S/C16H12N2O2S/c1-20-16(19)15-13(7-8-21-15)12-9-14(18-17-10-12)11-5-3-2-4-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,19,20,8,18,10,7,6,9,5,3,17,16,4,2,21/E:(3,4)(5,6)/rA:21COCOCCCCCCCCCCCNNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;d19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-OJAJXTQRFLTCMQ_on_P18507_WT,Low,ChEMBL30,CHEMBL364564,COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1,OJAJXTQRFLTCMQ,OJAJXTQRFLTCMQ-UHFFFAOYSA-N,"InChI=1S/C16H12N2O2S/c1-20-16(19)15-13(7-8-21-15)12-9-14(18-17-10-12)11-5-3-2-4-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,19,20,8,18,10,7,6,9,5,3,17,16,4,2,21/E:(3,4)(5,6)/rA:21COCOCCCCCCCCCCCNNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;d19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.350;  7.920;  7.060,7.443,0.35700000000000004,0.253,3.0,7.35,0.29
-OJAJXTQRFLTCMQ_on_P28472_WT,Low,ChEMBL30,CHEMBL364564,COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1,OJAJXTQRFLTCMQ,OJAJXTQRFLTCMQ-UHFFFAOYSA-N,"InChI=1S/C16H12N2O2S/c1-20-16(19)15-13(7-8-21-15)12-9-14(18-17-10-12)11-5-3-2-4-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,19,20,8,18,10,7,6,9,5,3,17,16,4,2,21/E:(3,4)(5,6)/rA:21COCOCCCCCCCCCCCNNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;d19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.350;  7.060;  7.920,7.443,0.35700000000000004,0.253,3.0,7.35,0.29
-OJAJXTQRFLTCMQ_on_P31644_WT,Low,ChEMBL30,CHEMBL364564,COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1,OJAJXTQRFLTCMQ,OJAJXTQRFLTCMQ-UHFFFAOYSA-N,"InChI=1S/C16H12N2O2S/c1-20-16(19)15-13(7-8-21-15)12-9-14(18-17-10-12)11-5-3-2-4-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,19,20,8,18,10,7,6,9,5,3,17,16,4,2,21/E:(3,4)(5,6)/rA:21COCOCCCCCCCCCCCNNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;d19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OJAJXTQRFLTCMQ_on_P34903_WT,Low,ChEMBL30,CHEMBL364564,COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1,OJAJXTQRFLTCMQ,OJAJXTQRFLTCMQ-UHFFFAOYSA-N,"InChI=1S/C16H12N2O2S/c1-20-16(19)15-13(7-8-21-15)12-9-14(18-17-10-12)11-5-3-2-4-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,19,20,8,18,10,7,6,9,5,3,17,16,4,2,21/E:(3,4)(5,6)/rA:21COCOCCCCCCCCCCCNNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;d19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-OJAKTUFESPOCAS_on_P41594_WT,High,ChEMBL30,CHEMBL3702373,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4Br)C3=C2)c1,OJAKTUFESPOCAS,OJAKTUFESPOCAS-UHFFFAOYSA-N,"InChI=1S/C20H17BrN2O2/c1-25-14-5-2-4-13(10-14)18-11-19-16-6-3-7-17(21)15(16)8-9-23(19)20(24)12-22-18/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,25,24,10,7,3,16,17,21,8,23,11,22,9,13,12,2/rA:25COCCCCCCNCCONCCCCCCCCBrCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-OJAKTUFESPOCAS_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702373,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4Br)C3=C2)c1,OJAKTUFESPOCAS,OJAKTUFESPOCAS-UHFFFAOYSA-N,"InChI=1S/C20H17BrN2O2/c1-25-14-5-2-4-13(10-14)18-11-19-16-6-3-7-17(21)15(16)8-9-23(19)20(24)12-22-18/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,25,24,10,7,3,16,17,21,8,23,11,22,9,13,12,2/rA:25COCCCCCCNCCONCCCCCCCCBrCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-OJEGVCLQWSCVRF_on_Q13255_WT,High,ChEMBL30,CHEMBL3330826,COc1ccc(-n2cnc3c(scc3-c3c(OC)cccc3)c2=O)cc1,OJEGVCLQWSCVRF,OJEGVCLQWSCVRF-UHFFFAOYSA-N,"InChI=1S/C20H16N2O3S/c1-24-14-9-7-13(8-10-14)22-12-21-18-16(11-26-19(18)20(22)23)15-5-3-4-6-17(15)25-2/h3-12H,1-2H3","""AuxInfo=1/0/N:1,18,21,20,22,19,5,25,4,26,13,8,6,3,15,14,16,10,11,23,9,7,24,2,17,12/E:(7,8)(9,10)/rA:26COCCCCNCNCCSCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s17;s16;d19;s20;s15d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-OJHPETTZSBWESU_on_Q13255_WT,Low,ChEMBL30,CHEMBL174382,CCc1c(C)nc2ccc(C(=O)CCc3ccccc3)cc2c1,OJHPETTZSBWESU,OJHPETTZSBWESU-UHFFFAOYSA-N,"InChI=1S/C21H21NO/c1-3-17-13-19-14-18(10-11-20(19)22-15(17)2)21(23)12-9-16-7-5-4-6-8-16/h4-8,10-11,13-14H,3,9,12H2,1-2H3","""AuxInfo=1/0/N:1,5,2,18,17,19,16,20,14,9,8,13,23,21,4,15,3,10,22,7,11,6,12/E:(5,6)(7,8)/rA:23CCCCCNCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s18;s15d19;d10;s7s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OJLYUGSSUKAWJC_on_O00591_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_O14764_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P14867_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P18505_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P18507_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P28472_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P31644_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P34903_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P47869_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P47870_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P48169_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_P78334_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_Q16445_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJLYUGSSUKAWJC_on_Q99928_WT,Low,ChEMBL30,CHEMBL154342,COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1,OJLYUGSSUKAWJC,OJLYUGSSUKAWJC-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,26,18,19,15,22,5,4,16,9,13,14,3,10,7,17,21,12,11,20,8,2,6/rA:26COCCCOCOCCNNCCCCClCCNNCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s16;s13d18;s10s14;s20;s9d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OJOSPYHWZWYFES_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70696137;CHEMBL2023625,O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCCC1,OJOSPYHWZWYFES,OJOSPYHWZWYFES-UHFFFAOYSA-N,"InChI=1S/C23H20N4O2/c28-23(26-12-4-5-13-26)29-19-8-9-21-20(10-11-24-22(21)14-19)17-15-25-27(16-17)18-6-2-1-3-7-18/h1-3,6-11,14-16H,4-5,12-13H2","""AuxInfo=1/0/N:15,14,16,27,28,13,17,5,6,20,21,26,29,24,19,10,9,12,4,8,7,23,2,22,18,25,11,1,3/E:(2,3)(4,5)(6,7)(12,13)/rA:29OCOCCCCCCCNCCCCCCNCCCNCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;d8;s20;d21;s7s22;s4d23;s2;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  6.301;  6.300,6.3,0.0,0.0,2.0,6.3,0.001
-OJOTYQLMNVPQBO_on_O00591_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_O14764_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P14867_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P18505_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P18507_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P28472_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P31644_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P34903_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P47869_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P47870_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P48169_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_P78334_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_Q16445_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJOTYQLMNVPQBO_on_Q99928_WT,Low,ChEMBL30,CHEMBL346379,O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,OJOTYQLMNVPQBO,OJOTYQLMNVPQBO-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O4/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)24-8-9-3-4-23-7-9/h1-2,5-6,9H,3-4,7-8H2","""AuxInfo=1/0/N:20,21,6,7,17,24,9,4,5,18,10,15,16,11,2,19,23,12,22,13,1,14,8,3/CRV:20.5/rA:24OCOCCCCOCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-OJVFFZLXISLIFZ_on_P14867_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-OJVFFZLXISLIFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.000;  8.620;  8.460;  8.510,8.397,0.237,0.13699999999999998,4.0,8.485,0.08
-OJVFFZLXISLIFZ_on_P28472_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829005;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.510;  8.000;  8.460;  8.620,8.397,0.237,0.13699999999999998,4.0,8.485,0.08
-OJVFFZLXISLIFZ_on_P31644_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-OJVFFZLXISLIFZ_on_P34903_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-OJVFFZLXISLIFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL362485,CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OJVFFZLXISLIFZ,OJVFFZLXISLIFZ-UHFFFAOYSA-N,"InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,6,3,17,21,5,29,31,28,32,7,10,4,30,27,16,9,25,26,15,24,12,8,22,23,13,14,11/E:(4,5)(8,9)(11,12)(13,14)/rA:32CCCCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s24;s12d25;s26;s27;s28;s25s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-OJVHRVLPSCDXSQ_on_P41594_WT,Low,ChEMBL30,CHEMBL2418359,O=C(N1CC2CN(c3ccccn3)CC2C1)N1CCC2(CCCC2)C1,OJVHRVLPSCDXSQ,OJVHRVLPSCDXSQ-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c25-19(22-10-8-20(15-22)6-2-3-7-20)24-13-16-11-23(12-17(16)14-24)18-5-1-4-9-21-18/h1,4-5,9,16-17H,2-3,6-8,10-15H2","""AuxInfo=1/0/N:10,22,23,11,9,21,24,19,12,18,6,14,4,16,25,5,15,8,2,20,13,17,7,3,1/E:(2,3)(6,7)(11,12)(13,14)(16,17)/rA:25OCNCCCNCCCCCNCCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s5s14;s3s15;s2;s17;s18;s19;s20;s21;s22;s20s23;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2421143,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OJVHRVLPSCDXSQ_on_Q13255_WT,High,ChEMBL30,CHEMBL2418359,O=C(N1CC2CN(c3ccccn3)CC2C1)N1CCC2(CCCC2)C1,OJVHRVLPSCDXSQ,OJVHRVLPSCDXSQ-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c25-19(22-10-8-20(15-22)6-2-3-7-20)24-13-16-11-23(12-17(16)14-24)18-5-1-4-9-21-18/h1,4-5,9,16-17H,2-3,6-8,10-15H2","""AuxInfo=1/0/N:10,22,23,11,9,21,24,19,12,18,6,14,4,16,25,5,15,8,2,20,13,17,7,3,1/E:(2,3)(6,7)(11,12)(13,14)(16,17)/rA:25OCNCCCNCCCCCNCCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s5s14;s3s15;s2;s17;s18;s19;s20;s21;s22;s20s23;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  6.530;  6.530,6.53,0.0,0.0,2.0,6.53,0.0
-OJVWSABAYINWEZ_on_P41594_WT,High,ChEMBL30,CHEMBL3655604,Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)c1,OJVWSABAYINWEZ,OJVWSABAYINWEZ-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2/c1-13-5-2-6-14(11-13)18(22)21-16-8-3-9-17(20-16)23-15-7-4-10-19-12-15/h2-12H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,12,18,3,5,17,11,13,19,23,21,2,6,16,10,14,7,20,22,9,8,15/rA:23CCCCCCCONCCCCCOCCCCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.880;  6.880,6.88,0.0,0.0,2.0,6.88,0.0
-OKFUCWFKAIDLEJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL239602,O=C(Nc1cc(Cl)ccc1)c1cccc2c1[nH]cc2,OKFUCWFKAIDLEJ,OKFUCWFKAIDLEJ-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O/c16-11-4-2-5-12(9-11)18-15(19)13-6-1-3-10-7-8-17-14(10)13/h1-9,17H,(H,18,19)","""AuxInfo=1/1/N:13,9,14,8,10,12,19,18,5,15,6,4,11,16,2,7,17,3,1/rA:19OCNCCCClCCCCCCCCCNCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;s17;s15d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-OKGJPMZATLJSGV_on_P14867_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-OKGJPMZATLJSGV_on_P18507_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826;CHEMBL678741;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770;  8.410;  8.620;  8.430,8.557,0.14800000000000002,0.085,4.0,8.525,0.105
-OKGJPMZATLJSGV_on_P28472_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770;  8.620;  8.410;  8.430,8.557,0.14800000000000002,0.085,4.0,8.525,0.105
-OKGJPMZATLJSGV_on_P31644_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-OKGJPMZATLJSGV_on_P34903_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-OKGJPMZATLJSGV_on_P47869_WT,Low,ChEMBL30,CHEMBL292462,Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,OKGJPMZATLJSGV,OKGJPMZATLJSGV-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2","""AuxInfo=1/0/N:14,13,23,22,24,15,12,4,27,3,28,21,18,5,2,19,10,11,6,9,16,1,20,7,8,25,26,17/E:(8,9)(10,11)/rA:28FCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-OKJPXVUYSUJGNN_on_O15399_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_O60391_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_Q05586_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_Q12879_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_Q13224_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKJPXVUYSUJGNN_on_Q14957_WT,Low,ChEMBL30,CHEMBL40976,Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1,OKJPXVUYSUJGNN,OKJPXVUYSUJGNN-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-14-10-16-17(22-11-14)18(24)19(20(25)23-16)26-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,19,23,24,26,16,10,7,18,17,8,15,4,5,11,13,2,9,6,3,12,1,14/E:(2,3)(5,6)/rA:26OCNCCNCCClCCOCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-OKKCDBHXMZEFNG_on_P18507_WT,Low,ChEMBL30,CHEMBL1631470,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)c(F)cc2,OKKCDBHXMZEFNG,OKKCDBHXMZEFNG-UHFFFAOYSA-N,"InChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)","""AuxInfo=1/1/N:1,2,18,24,23,3,17,19,10,21,14,8,11,7,15,5,22,9,16,20,4,12,13,6/E:(7,8)(19,20)/rA:24CCCNCOCCNCCNNCCNCCCNCFCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s21;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-OKKCDBHXMZEFNG_on_P28472_WT,Low,ChEMBL30,CHEMBL1631470,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)c(F)cc2,OKKCDBHXMZEFNG,OKKCDBHXMZEFNG-UHFFFAOYSA-N,"InChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)","""AuxInfo=1/1/N:1,2,18,24,23,3,17,19,10,21,14,8,11,7,15,5,22,9,16,20,4,12,13,6/E:(7,8)(19,20)/rA:24CCCNCOCCNCCNNCCNCCCNCFCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s21;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-OKKCDBHXMZEFNG_on_P47869_WT,Low,ChEMBL30,CHEMBL1631470,CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)c(F)cc2,OKKCDBHXMZEFNG,OKKCDBHXMZEFNG-UHFFFAOYSA-N,"InChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)","""AuxInfo=1/1/N:1,2,18,24,23,3,17,19,10,21,14,8,11,7,15,5,22,9,16,20,4,12,13,6/E:(7,8)(19,20)/rA:24CCCNCOCCNCCNNCCNCCCNCFCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s11;s14;d15;s16;d17;s18;s15d19;d14;s21;s21;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-OKKHSXLRZQJWNN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106785,CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C,OKKHSXLRZQJWNN,OKKHSXLRZQJWNN-UHFFFAOYSA-N,"InChI=1S/C23H27N3O2/c1-5-27-21-13-19(7-6-15(21)2)23-25-22(18-8-10-24-16(3)12-18)20-9-11-28-17(4)14-26(20)23/h6-8,10,12-13,17H,5,9,11,14H2,1-4H3","""AuxInfo=1/0/N:1,28,15,22,2,26,25,11,18,12,19,16,5,23,27,14,21,10,6,17,4,9,7,13,8,24,3,20/rA:28CCOCCCCNCCCCNCCCCCCOCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;d6;s25;s4d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-OKKVDDWFNZJYMK_on_P41594_WT,High,ChEMBL30,CHEMBL607841,Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1,OKKVDDWFNZJYMK,OKKVDDWFNZJYMK-UHFFFAOYSA-N,"InChI=1S/C18H21N3O/c1-14-5-8-16(9-6-14)20-17-10-7-15(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,16,15,17,3,22,9,4,21,8,14,18,19,2,10,5,7,11,20,6,13,12/E:(3,4)(5,6)(8,9)(11,12)/rA:22CCCCCNCCCCCONCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s15;s16;s13s17;s10;s7d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-OKLQKPXLFSKNAI_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023466;70683515,c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCOCC3)c4)cn2)cc1,OKLQKPXLFSKNAI,OKLQKPXLFSKNAI-UHFFFAOYSA-N,"InChI=1S/C25H26N4O2/c1-2-5-21(6-3-1)29-19-20(18-27-29)23-9-10-26-25-17-22(7-8-24(23)25)31-14-4-11-28-12-15-30-16-13-28/h1-3,5-10,17-19H,4,11-16H2","""AuxInfo=1/0/N:1,2,31,19,3,30,15,14,9,10,20,22,26,18,23,25,27,28,6,7,4,16,8,13,12,11,29,21,5,24,17/E:(2,3)(5,6)(12,13)(15,16)/rA:31CCCCNCCCCCNCCCCCOCCCNCCOCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s12d16;s7;s5d28;s4;s1d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  5.550;  5.553,5.551,0.002,0.002,2.0,5.551,0.002
-OKOKWNYOLUGIGN_on_P14867_WT,Low,ChEMBL30,CHEMBL488286,CCCCC(=O)c1c(O)c2c(ccc(Cc3cc4c(cccc4)cc3)c2)nc1,OKOKWNYOLUGIGN,OKOKWNYOLUGIGN-UHFFFAOYSA-N,"InChI=1S/C25H23NO2/c1-2-3-8-24(27)22-16-26-23-12-10-18(15-21(23)25(22)28)13-17-9-11-19-6-4-5-7-20(19)14-17/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,2,3,21,22,20,23,4,25,13,24,12,15,17,26,28,16,14,19,18,10,7,11,5,8,27,6,9/rA:28CCCCCOCCOCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s10d14;s11;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OKOKWNYOLUGIGN_on_P18507_WT,Low,ChEMBL30,CHEMBL488286,CCCCC(=O)c1c(O)c2c(ccc(Cc3cc4c(cccc4)cc3)c2)nc1,OKOKWNYOLUGIGN,OKOKWNYOLUGIGN-UHFFFAOYSA-N,"InChI=1S/C25H23NO2/c1-2-3-8-24(27)22-16-26-23-12-10-18(15-21(23)25(22)28)13-17-9-11-19-6-4-5-7-20(19)14-17/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,2,3,21,22,20,23,4,25,13,24,12,15,17,26,28,16,14,19,18,10,7,11,5,8,27,6,9/rA:28CCCCCOCCOCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s10d14;s11;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OKOKWNYOLUGIGN_on_P47870_WT,Low,ChEMBL30,CHEMBL488286,CCCCC(=O)c1c(O)c2c(ccc(Cc3cc4c(cccc4)cc3)c2)nc1,OKOKWNYOLUGIGN,OKOKWNYOLUGIGN-UHFFFAOYSA-N,"InChI=1S/C25H23NO2/c1-2-3-8-24(27)22-16-26-23-12-10-18(15-21(23)25(22)28)13-17-9-11-19-6-4-5-7-20(19)14-17/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,2,3,21,22,20,23,4,25,13,24,12,15,17,26,28,16,14,19,18,10,7,11,5,8,27,6,9/rA:28CCCCCOCCOCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s10d14;s11;s7d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OKOONRHWCUKDSH_on_P41594_WT,Low,ChEMBL30,CHEMBL3655599,Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)n1,OKOONRHWCUKDSH,OKOONRHWCUKDSH-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2/c1-11-4-2-5-13(19-11)16(22)21-14-6-3-7-15(20-14)23-12-8-17-10-18-9-12/h2-10H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,12,3,5,11,13,17,21,19,2,16,6,10,14,7,18,20,23,22,9,8,15/E:(8,9)(17,18)/rA:23CCCCCCCONCCCCCOCCNCNCNN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OKPWMAWSGHTGOX_on_P41594_WT,High,ChEMBL30,CHEMBL3644422,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccno1)ccc3,OKPWMAWSGHTGOX,OKPWMAWSGHTGOX-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)14-4-5-14)10-19-16-2-1-3-17(20-6-8-25-29-20)15(16)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2","""AuxInfo=1/0/N:28,29,27,11,12,23,18,24,19,14,3,13,7,10,17,16,21,9,15,22,5,2,4,8,25,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCCNOCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-OKPWMAWSGHTGOX_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644422,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccno1)ccc3,OKPWMAWSGHTGOX,OKPWMAWSGHTGOX-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)14-4-5-14)10-19-16-2-1-3-17(20-6-8-25-29-20)15(16)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2","""AuxInfo=1/0/N:28,29,27,11,12,23,18,24,19,14,3,13,7,10,17,16,21,9,15,22,5,2,4,8,25,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCCCNOCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-OKSYKVDDFSUMCF_on_P41594_WT,High,ChEMBL30,CHEMBL3702410,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)cn1,OKSYKVDDFSUMCF,OKSYKVDDFSUMCF-UHFFFAOYSA-N,"InChI=1S/C17H15ClN4O/c1-11-9-21(10-20-11)16-7-15-13-3-2-4-14(18)12(13)5-6-22(15)17(23)8-19-16/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,21,7,3,22,2,13,14,18,20,5,8,19,6,23,4,10,9/rA:23CCCNCNCCONCCCCCCCCClCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s10s14;s5w?20;s4;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OKSYKVDDFSUMCF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702410,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)cn1,OKSYKVDDFSUMCF,OKSYKVDDFSUMCF-UHFFFAOYSA-N,"InChI=1S/C17H15ClN4O/c1-11-9-21(10-20-11)16-7-15-13-3-2-4-14(18)12(13)5-6-22(15)17(23)8-19-16/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,21,7,3,22,2,13,14,18,20,5,8,19,6,23,4,10,9/rA:23CCCNCNCCONCCCCCCCCClCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s10s14;s5w?20;s4;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-OKTIFBMWXFOHJZ_on_P41594_WT,High,ChEMBL30,CHEMBL2069375,COc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1,OKTIFBMWXFOHJZ,OKTIFBMWXFOHJZ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-25-16-4-2-3-12(9-16)18-21-19(26-22-18)13-10-17(24)23(11-13)15-7-5-14(20)6-8-15/h2-9,13H,10-11H2,1H3","""AuxInfo=1/0/N:1,25,24,26,17,20,16,21,4,11,22,5,10,18,15,3,12,6,9,19,23,7,14,13,2,8/E:(5,6)(7,8)/rA:26COCCCCNOCCCCONCCCCClCCCNCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;s10s14;s6d9;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-OLABBJCYYJUPKT_on_P31644_WT,High,ChEMBL30,CHEMBL3681495,Cc1c(COc2ccc(C(=O)NCC(C)(C)O)cn2)c(-c2ccccc2)no1,OLABBJCYYJUPKT,OLABBJCYYJUPKT-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-14-17(19(24-28-14)15-7-5-4-6-8-15)12-27-18-10-9-16(11-22-18)20(25)23-13-21(2,3)26/h4-11,26H,12-13H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:1,15,16,24,23,25,22,26,8,7,18,4,13,2,21,9,3,6,20,10,14,19,12,27,11,17,5,28/E:(2,3)(5,6)(7,8)/rA:28CCCCOCCCCCONCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-OLBCVFGFOZPWHH_on_P14867_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4686871;CHEMBL4686875;CHEMBL4686849;CHEMBL4686874;CHEMBL682645;CHEMBL822800;CHEMBL821856;CHEMBL678910;CHEMBL678911;CHEMBL682644;CHEMBL2169248;CHEMBL2169251,PMID:9599235,1998.0,PMID:32247113;PMID:32247113;PMID:32247113;PMID:32247113;PMID:11606122;PMID:9599235;PMID:9599235;PMID:12109905;PMID:12109905;PMID:11606122;PMID:22029276;PMID:22029276,2020;2020;2020;2020;2001;1998;1998;2002;2002;2001;2011;2011,1;1;0;1;0;0;0;0;0;0;0;0,0;0;1;0;1;1;1;1;1;1;1;1,0,0,0,,=,  5.100;  4.500;  5.270;  4.360;  5.390;  4.360;  5.100;  5.000;  5.700;  4.300;  4.300;  5.280,4.888,0.475,0.14300000000000002,12.0,5.05,0.445
-OLBCVFGFOZPWHH_on_P18505_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL2169251;CHEMBL2169248;CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:22029276;PMID:22029276;PMID:9599235;PMID:9599235,2011;2011;1998;1998,0,1,0,0,0,,=,  5.280;  4.300;  5.100;  4.360,4.76,0.435,0.251,4.0,4.73,0.4
-OLBCVFGFOZPWHH_on_P18507_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818;CHEMBL4686874;CHEMBL682645;CHEMBL4686875;CHEMBL822800;CHEMBL4686849;CHEMBL4686871;CHEMBL821856;CHEMBL678911;CHEMBL678910;CHEMBL682644,PMID:9599235,1998.0,PMID:15801854;PMID:32247113;PMID:11606122;PMID:32247113;PMID:9599235;PMID:32247113;PMID:32247113;PMID:9599235;PMID:12109905;PMID:12109905;PMID:11606122,2005;2020;2001;2020;1998;2020;2020;1998;2002;2002;2001,0;1;0;1;0;0;1;0;0;0;0,1;0;1;0;1;1;0;1;1;1;1,0,0,0,,=,  4.950;  4.360;  5.390;  4.500;  4.360;  5.270;  5.100;  5.100;  5.700;  5.000;  4.300,4.912,0.44799999999999995,0.142,11.0,5.0,0.39
-OLBCVFGFOZPWHH_on_P28472_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682644;CHEMBL4686871;CHEMBL4686875;CHEMBL4686849;CHEMBL4686874;CHEMBL682645;CHEMBL2169251;CHEMBL2169248,PMID:11606122,2001.0,PMID:11606122;PMID:32247113;PMID:32247113;PMID:32247113;PMID:32247113;PMID:11606122;PMID:22029276;PMID:22029276,2001;2020;2020;2020;2020;2001;2011;2011,0;1;1;0;1;0;0;0,1;0;0;1;0;1;1;1,0,0,0,,=,  4.300;  5.100;  4.500;  5.270;  4.360;  5.390;  5.280;  4.300,4.812,0.457,0.17300000000000001,8.0,4.8,0.475
-OLBCVFGFOZPWHH_on_P31644_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.300;  5.280,4.79,0.49,0.49,2.0,4.79,0.49
-OLBCVFGFOZPWHH_on_P34903_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.300;  5.280,4.79,0.49,0.49,2.0,4.79,0.49
-OLBCVFGFOZPWHH_on_P47869_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818;CHEMBL2169248;CHEMBL2169251,PMID:15801854,2005.0,PMID:15801854;PMID:22029276;PMID:22029276,2005;2011;2011,0,1,0,0,0,,=,  4.950;  4.300;  5.280,4.843,0.40700000000000003,0.28800000000000003,3.0,4.95,0.33
-OLBCVFGFOZPWHH_on_P47870_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818;CHEMBL2169251;CHEMBL2169248;CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:15801854;PMID:22029276;PMID:22029276;PMID:12109905;PMID:12109905,2005;2011;2011;2002;2002,0,1,0,0,0,,=,  4.950;  5.280;  4.300;  5.000;  5.700,5.046,0.45799999999999996,0.22899999999999998,5.0,5.0,0.28
-OLBCVFGFOZPWHH_on_P48169_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.280;  4.300,4.79,0.49,0.49,2.0,4.79,0.49
-OLBCVFGFOZPWHH_on_Q16445_WT,Low,ChEMBL30,CHEMBL526,CC(C)c1cccc(C(C)C)c1O,OLBCVFGFOZPWHH,OLBCVFGFOZPWHH-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3","""AuxInfo=1/0/N:1,3,10,11,6,5,7,2,9,4,8,12,13/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13CCCCCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s9;s4d8;s12;/rC:;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.300;  5.280,4.79,0.49,0.49,2.0,4.79,0.49
-OLKQZPTXYHYAGH_on_P41594_WT,High,ChEMBL30,CHEMBL3633962,CC(=O)N1CCCn2nc(COc3cc(F)ccc3)cc12,OLKQZPTXYHYAGH,OLKQZPTXYHYAGH-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3","""AuxInfo=1/0/N:1,18,6,17,19,5,7,14,20,11,2,15,10,13,21,16,9,4,8,3,12/rA:21CCONCCCNNCCOCCCFCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s10;s4s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.580;  6.620,6.6,0.02,0.02,2.0,6.6,0.02
-OLKUNPKISSHQBO_on_P14867_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-OLKUNPKISSHQBO_on_P18507_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL681841;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.700;  8.800;  9.440;  9.150,9.023,0.293,0.16899999999999998,4.0,8.975,0.225
-OLKUNPKISSHQBO_on_P28472_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL681841;CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.440;  8.800;  9.150;  8.700,9.023,0.293,0.16899999999999998,4.0,8.975,0.225
-OLKUNPKISSHQBO_on_P31644_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.440,9.44,0.0,0.0,1.0,9.44,0.0
-OLKUNPKISSHQBO_on_P34903_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-OLKUNPKISSHQBO_on_P47869_WT,Low,ChEMBL30,CHEMBL300862,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1,OLKUNPKISSHQBO,OLKUNPKISSHQBO-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,21,20,23,17,4,18,9,10,5,8,15,22,19,6,7,24,25,16/E:(2,3)(6,7)/rA:27CCCCCNNCCCCCCCCOCCNCCNCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-OLOQLIWDGDPVOI_on_Q14416_WT,High,ChEMBL30,CHEMBL612133,CCCCn1ccc(N2CCN(c3nc(C)cc(C)n3)CC2)c(C#N)c1=O,OLOQLIWDGDPVOI,OLOQLIWDGDPVOI-UHFFFAOYSA-N,"InChI=1S/C20H26N6O/c1-4-5-7-25-8-6-18(17(14-21)19(25)27)24-9-11-26(12-10-24)20-22-15(2)13-16(3)23-20/h6,8,13H,4-5,7,9-12H2,1-3H3","""AuxInfo=1/0/N:1,16,19,2,3,7,4,6,10,22,11,21,17,24,15,18,23,8,26,13,25,14,20,9,5,12,27/E:(2,3)(9,10)(11,12)(15,16)(22,23)/rA:27CCCCNCCCNCCNCNCCCCCNCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;s12;s9s21;d8;s23;t24;s5s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-OLOQWQIBORYMJO_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029810;70685766,Cc1c(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)cccn1,OLOQWQIBORYMJO,OLOQWQIBORYMJO-UHFFFAOYSA-N,"InChI=1S/C23H23N3O2/c1-16(2)10-13-26-14-11-20(21(15-24)23(26)27)18-6-8-19(9-7-18)28-22-5-4-12-25-17(22)3/h4-9,11-12,14,16H,10,13H2,1-3H3","""AuxInfo=1/0/N:19,20,1,26,25,7,23,6,24,17,22,27,16,21,11,18,2,8,5,9,10,3,13,12,28,15,14,4/E:(1,2)(6,7)(8,9)/rA:28CCCOCCCCCCCNCONCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;t11;s10;d13;s13;s15;s16;s17;s18;s18;s15;s9d21;s8;s5d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  6.560;  6.561,6.56,0.001,0.001,2.0,6.56,0.001
-OLQCNAUUODGTOB_on_P41594_WT,High,ChEMBL30,CHEMBL3928135,N#Cc1c(-c2ccccc2)c2c(nc1-c1cc(Cl)ccc1)[nH]nc2-c1ccccc1,OLQCNAUUODGTOB,OLQCNAUUODGTOB-UHFFFAOYSA-N,"InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)23-20(15-27)21(16-8-3-1-4-9-16)22-24(29-30-25(22)28-23)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)","""AuxInfo=1/1/N:8,28,7,9,27,29,20,6,10,26,30,21,19,16,2,5,25,15,17,3,4,11,14,24,12,18,1,13,23,22/E:(3,4)(5,6)(8,9)(10,11)/rA:30NCCCCCCCCCCCNCCCCClCCCNNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s3d13;s14;d15;s16;s17;d17;s19;s15d20;s12;s22;s11d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-OLQMXRKIVLSLMO_on_Q14416_WT,High,ChEMBL30,CHEMBL189623,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCC=CCOc1ccc(-c2n[nH]nn2)cc1,OLQMXRKIVLSLMO,OLQMXRKIVLSLMO-UHFFFAOYSA-N,"InChI=1S/C27H33N5O2/c1-5-8-23-22-15-16-32(19-27(2,3)4)24(22)13-14-25(23)34-18-7-6-17-33-21-11-9-20(10-12-21)26-28-30-31-29-26/h6-7,9-16H,5,8,17-19H2,1-4H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,6,7,22,19,9,27,24,5,4,14,17,28,10,29,32,30,31,8,23,18/E:(2,3,4)(9,10)(11,12)(28,29)(30,31)/rA:34CCCCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;w?20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OLUSWPXQHCOICN_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951879;16118398,CCNc1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O,OLUSWPXQHCOICN,OLUSWPXQHCOICN-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,3,7,15,24,10/E:(3,4)(5,6)/rA:24CCNCCCNCCSCCCCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.520;  8.523,8.521,0.002,0.002,2.0,8.521,0.002
-OMBMNERZWLKGRG_on_P41594_WT,Low,ChEMBL30,CHEMBL429128,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(F)cc(F)cc2)n1,OMBMNERZWLKGRG,OMBMNERZWLKGRG-UHFFFAOYSA-N,"InChI=1S/C17H9F5N2/c1-10-8-24-9-12(17(20,21)22)6-16(24)15(23-10)5-3-11-2-4-13(18)7-14(11)19/h2,4,6-9H,1H3","""AuxInfo=1/0/N:1,23,15,22,14,11,19,3,5,2,16,6,20,17,13,12,7,21,18,8,9,10,24,4/E:(20,21,22)/rA:24CCCNCCCFFFCCCCCCCFCCFCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s17;d19;s20;s20;s16d22;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-OMDAXCSLKUCCJH_on_Q14416_WT,High,ChEMBL30,CHEMBL183286,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCCc1n[nH]nn1)c2,OMDAXCSLKUCCJH,OMDAXCSLKUCCJH-UHFFFAOYSA-N,"InChI=1S/C21H26Cl2N4O2/c1-21(14-7-4-5-8-14)12-13-11-15(18(22)19(23)17(13)20(21)28)29-10-6-2-3-9-16-24-26-27-25-16/h11,14H,2-10,12H2,1H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,21,22,5,6,20,4,7,23,19,29,8,9,3,17,24,10,15,13,11,2,16,14,25,28,26,27,12,18/E:(4,5)(7,8)(24,25)(26,27)/rA:29CCCCCCCCCCCOCClCClCOCCCCCCNNNNC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;s22;s23;d24;s25;s26;s24d27;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-OMFTWDFSWRQXKP_on_P41594_WT,High,ChEMBL30,CHEMBL3746591,O=C1c2cc(COc3ccccc3)nn2CCN1c1cc(F)c(F)cc1,OMFTWDFSWRQXKP,OMFTWDFSWRQXKP-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,26,25,17,16,4,20,6,5,19,8,23,21,3,2,24,22,14,18,15,1,7/E:(2,3)(4,5)/rA:26OCCCCCOCCCCCCNNCCNCCCFCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;s21;d21;s23;s23;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.060;  7.060,7.06,0.0,0.0,2.0,7.06,0.0
-OMGOVFIKWLKTPS_on_O00591_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_O14764_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P14867_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P18505_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P18507_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P28472_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P31644_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P34903_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P47869_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P47870_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P48169_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_P78334_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_Q16445_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMGOVFIKWLKTPS_on_Q99928_WT,Low,ChEMBL30,CHEMBL57045,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2,OMGOVFIKWLKTPS,OMGOVFIKWLKTPS-UHFFFAOYSA-N,"InChI=1S/C15H9BrO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OMKJZXHLXSBVRA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388978;CHEMBL2408574,CC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)nc1)nc2,OMKJZXHLXSBVRA,OMKJZXHLXSBVRA-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O/c1-8-4-11-10(12(20)5-8)7-17-14(19-11)18-9-2-3-13(15)16-6-9/h2-3,6-8H,4-5H2,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,13,14,8,3,18,20,2,12,6,7,4,15,10,16,17,19,11,9,5/rA:20CCCCOCCCNCNCCCCClNCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  7.365;  7.370,7.367000000000001,0.003,0.003,2.0,7.367000000000001,0.002
-OMQHFPMEAPEGTA_on_O00591_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_O14764_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P14867_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P18505_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P18507_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P28472_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P31644_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P34903_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P47869_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P47870_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P48169_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_P78334_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_Q16445_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OMQHFPMEAPEGTA_on_Q99928_WT,Low,ChEMBL30,CHEMBL92644,COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1,OMQHFPMEAPEGTA,OMQHFPMEAPEGTA-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,20,14,6,10,8,12,19,9,11,2,7/rA:21COCCCCOCNCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;d8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-ONDATJWTDJKWQG_on_Q13255_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2418380;CHEMBL2418380;72163583,O=C(N1CC2CN(c3cccc(F)n3)CC2C1)C12CC3CC(CC(C3)C1)C2,ONDATJWTDJKWQG,ONDATJWTDJKWQG-UHFFFAOYSA-N,"InChI=1S/C22H28FN3O/c23-19-2-1-3-20(24-19)25-10-17-12-26(13-18(17)11-25)21(27)22-7-14-4-15(8-22)6-16(5-14)9-22/h1-3,14-18H,4-13H2","""AuxInfo=1/0/N:10,11,9,21,23,25,27,19,26,6,15,4,17,22,20,24,5,16,12,8,2,18,13,14,7,3,1/E:(4,5,6)(7,8,9)(10,11)(12,13)(14,15,16)(17,18)/rA:27OCNCCCNCCCCCFNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s8d12;s7;s5s15;s3s16;s2;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;CHEMBL2421151;PubChemAID:767436,PMID:23932792,2013.0,PMID:23932792;PMID:23932792;PubChemAID:767436,2013;2013;2014,1;1;0,0,0,0,0;0;1,,=,  7.030;  7.030;  7.032,7.031000000000001,0.001,0.001,3.0,7.03,0.0
-ONFZHRZTMRGDRC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3935751,NC(=O)c1cc(C2=CCCC2)c2ccccc2n1,ONFZHRZTMRGDRC,ONFZHRZTMRGDRC-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c16-15(18)14-9-12(10-5-1-2-6-10)11-7-3-4-8-13(11)17-14/h3-5,7-9H,1-2,6H2,(H2,16,18)","""AuxInfo=1/1/N:9,10,14,15,8,11,13,16,5,7,12,6,17,4,2,1,18,3/rA:18NCOCCCCCCCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;w?7;s8;s9;s7s10;d6;s12;d13;s14;d15;s12s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-ONGKHRMQCCVSPT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3987183,CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(C#N)c1,ONGKHRMQCCVSPT,ONGKHRMQCCVSPT-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-16-13-26-20(11-19(24-26)15-28-21-8-3-2-4-9-21)14-25(16)22(27)18-7-5-6-17(10-18)12-23/h2-11,16H,13-15H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,24,22,10,14,28,15,26,3,17,7,2,25,21,6,16,9,19,27,5,18,4,20,8/E:(3,4)(8,9)/rA:28CCCNNCCOCCCCCCCCCNCOCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s4d15;s16;s2s17;s18;d19;s19;d21;s22;d23;s24;s25;t26;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.360;  5.560,5.96,0.4,0.4,2.0,5.96,0.4
-ONGQCRPEKGKVED_on_P41594_WT,High,ChEMBL30,CHEMBL3633954,O=C(c1ccc(F)cc1)N1CCCn2nc(COc3ccccc3)cc12,ONGQCRPEKGKVED,ONGQCRPEKGKVED-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-16-9-7-15(8-10-16)20(25)23-11-4-12-24-19(23)13-17(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2","""AuxInfo=1/0/N:22,21,23,12,20,24,4,9,5,8,11,13,25,17,3,6,16,19,26,2,7,15,10,14,1,18/E:(2,3)(5,6)(7,8)(9,10)/rA:26OCCCCCFCCNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s10s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.220;  6.220,6.22,0.0,0.0,2.0,6.22,0.0
-ONIHNTIPKYMTGW_on_P14867_WT,Low,ChEMBL30,CHEMBL373716,Oc1noc(C2CCNCC2)c1C(Br)c1cc2c(cccc2)cc1,ONIHNTIPKYMTGW,ONIHNTIPKYMTGW-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2O2/c20-17(15-6-5-12-3-1-2-4-14(12)11-15)16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,11,13,17,21H,7-10H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,16,18,6,17,15,12,13,5,2,14,9,3,1,4/E:(7,8)(9,10)/rA:24OCNOCCCCNCCCCBrCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s13;d15;s16;d17;s18;d19;s20;s17d21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ONIHNTIPKYMTGW_on_P18507_WT,Low,ChEMBL30,CHEMBL373716,Oc1noc(C2CCNCC2)c1C(Br)c1cc2c(cccc2)cc1,ONIHNTIPKYMTGW,ONIHNTIPKYMTGW-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2O2/c20-17(15-6-5-12-3-1-2-4-14(12)11-15)16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,11,13,17,21H,7-10H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,16,18,6,17,15,12,13,5,2,14,9,3,1,4/E:(7,8)(9,10)/rA:24OCNOCCCCNCCCCBrCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s13;d15;s16;d17;s18;d19;s20;s17d21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ONIHNTIPKYMTGW_on_P28472_WT,Low,ChEMBL30,CHEMBL373716,Oc1noc(C2CCNCC2)c1C(Br)c1cc2c(cccc2)cc1,ONIHNTIPKYMTGW,ONIHNTIPKYMTGW-UHFFFAOYSA-N,"InChI=1S/C19H19BrN2O2/c20-17(15-6-5-12-3-1-2-4-14(12)11-15)16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,11,13,17,21H,7-10H2,(H,22,23)","""AuxInfo=1/1/N:20,21,19,22,23,24,7,11,8,10,16,18,6,17,15,12,13,5,2,14,9,3,1,4/E:(7,8)(9,10)/rA:24OCNOCCCCNCCCCBrCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;s13;d15;s16;d17;s18;d19;s20;s17d21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ONNMDRQRSGKZCN_on_O00591_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_O14764_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P14867_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1680093;CHEMBL686134,PMID:7650685,1995.0,PMID:24900248;PMID:7650685,2011;1995,1,0,0,0,0,,=,  3.294;  3.294,3.2939999999999996,0.0,0.0,2.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P18505_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P18507_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL686134;CHEMBL1680093,PMID:7650685,1995.0,PMID:7650685;PMID:24900248,1995;2011,1,0,0,0,0,,=,  3.294;  3.294,3.2939999999999996,0.0,0.0,2.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P28472_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P31644_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P34903_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P47869_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P47870_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL686134;CHEMBL1680093,PMID:7650685,1995.0,PMID:7650685;PMID:24900248,1995;2011,1,0,0,0,0,,=,  3.294;  3.294,3.2939999999999996,0.0,0.0,2.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P48169_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_P78334_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_Q16445_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONNMDRQRSGKZCN_on_Q99928_WT,Low,ChEMBL30,CHEMBL112797,CCCCP(=O)(O)CCCN,ONNMDRQRSGKZCN,ONNMDRQRSGKZCN-UHFFFAOYSA-N,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)","""AuxInfo=1/1/N:1,2,3,9,10,4,8,11,6,7,5/E:(9,10)/rA:11CCCCPOOCCCN/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL686134,PMID:7650685,1995.0,PMID:7650685,1995,1,0,0,0,0,,=,  3.294,3.2939999999999996,0.0,0.0,1.0,3.2939999999999996,0.0
-ONQMFQGGVUVMEJ_on_P14867_WT,Low,ChEMBL30,CHEMBL381352,N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1,ONQMFQGGVUVMEJ,ONQMFQGGVUVMEJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)16-23-7-5-13(25-16)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,10,24,11,25,2,15,3,8,9,14,19,13,17,20,21,22,23,1,12,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCCCNCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-ONQMFQGGVUVMEJ_on_P34903_WT,Low,ChEMBL30,CHEMBL381352,N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1,ONQMFQGGVUVMEJ,ONQMFQGGVUVMEJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)16-23-7-5-13(25-16)12-4-2-1-3-11(12)9-22/h1-8,10H","""AuxInfo=1/0/N:5,6,4,7,10,24,11,25,2,15,3,8,9,14,19,13,17,20,21,22,23,1,12,16,27,18,26/E:(19,20,21)/rA:27NCCCCCCCCCCNCCCNCNCCFFFCCNN/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-ONVLREVIUSKYQD_on_P41594_WT,High,ChEMBL30,CHEMBL1808875,Cc1c(C2CCCN2C(=O)c2cnccn2)cnc(-c2cc(Cl)ccc2)c1,ONVLREVIUSKYQD,ONVLREVIUSKYQD-UHFFFAOYSA-N,"InChI=1S/C21H19ClN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3","""AuxInfo=1/0/N:1,25,6,26,24,5,14,15,7,27,21,17,12,2,20,22,3,19,11,4,9,23,13,16,18,8,10/rA:27CCCCCCCNCOCCNCCNCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  8.000;  6.920,7.46,0.54,0.54,2.0,7.46,0.54
-ONWHHBPKKHKAJJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3422874,Cc1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)c1,ONWHHBPKKHKAJJ,ONWHHBPKKHKAJJ-UHFFFAOYSA-N,"InChI=1S/C20H19N5OS/c1-13-9-17(24-23-13)20(26)25-8-7-15-16(10-21)19(27-18(15)12-25)22-11-14-5-3-2-4-6-14/h2-6,9,22H,7-8,11-12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,21,20,22,19,23,10,9,27,25,17,13,2,18,11,24,5,12,15,6,26,16,3,4,8,7,14/E:(3,4)(5,6)/rA:27CCNNCCONCCCCCSCNCCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d15;s24;t25;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-ONZBAIHVFMEUIY_on_P41594_WT,High,ChEMBL30,CHEMBL3805340,O=C1NC(c2cc(C#Cc3ccccc3)ccc2)C(c2cc(F)ccc2)O1,ONZBAIHVFMEUIY,ONZBAIHVFMEUIY-UHFFFAOYSA-N,"InChI=1S/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)","""AuxInfo=1/1/N:13,12,14,17,25,11,15,16,18,26,24,9,8,6,21,10,7,5,20,22,4,19,2,23,3,1,27/E:(2,3)(6,7)/rA:27OCNCCCCCCCCCCCCCCCCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s10d14;d7;s16;s5d17;s4;s19;d20;s21;s22;d22;s24;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807497;CHEMBL3807499,PMID:26985317,2016.0,PMID:26985317,2016,0,1;0,0,0;1,0,,=,  7.820;  8.190,8.005,0.185,0.185,2.0,8.005,0.185
-OOAXMNBBGAIJCT_on_P14867_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-OOAXMNBBGAIJCT_on_P18507_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058332;CHEMBL3058330;CHEMBL3058328;CHEMBL3058329;CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.800;  6.910;  7.920;  6.920;  6.920,7.294,0.46399999999999997,0.23199999999999998,5.0,6.92,0.01
-OOAXMNBBGAIJCT_on_P28472_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058331;CHEMBL3058332;CHEMBL3058330;CHEMBL3058328;CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.920;  7.800;  6.910;  7.920;  6.920,7.294,0.46399999999999997,0.23199999999999998,5.0,6.92,0.01
-OOAXMNBBGAIJCT_on_P31644_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OOAXMNBBGAIJCT_on_P34903_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-OOAXMNBBGAIJCT_on_P47869_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-OOAXMNBBGAIJCT_on_P48169_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-OOAXMNBBGAIJCT_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261917,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1,OOAXMNBBGAIJCT,OOAXMNBBGAIJCT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-23(2,3)29-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-30-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,5,26/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCSCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-OOCGJICSMATBSN_on_P41594_WT,High,ChEMBL30,CHEMBL3702388,COc1cccc2c1CCN1C(=O)CN=C(c3cnc4c(c3)OCCN4C)C=C21,OOCGJICSMATBSN,OOCGJICSMATBSN-UHFFFAOYSA-N,"InChI=1S/C22H22N4O3/c1-25-8-9-29-20-10-14(12-24-22(20)25)17-11-18-15-4-3-5-19(28-2)16(15)6-7-26(18)21(27)13-23-17/h3-5,10-12H,6-9,13H2,1-2H3","""AuxInfo=1/0/N:27,1,5,6,4,9,10,25,24,22,28,18,14,17,7,8,16,29,3,21,12,20,15,19,26,11,13,2,23/rA:29COCCCCCCCCNCOCNCCCNCCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s17d21;s21;s23;s24;s20s25;s26;s16;s7s11w?28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.260,5.26,0.0,0.0,1.0,5.26,0.0
-OOIJMSVOEKAGEL_on_Q12879_WT,Low,ChEMBL30,CHEMBL219060,O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1,OOIJMSVOEKAGEL,OOIJMSVOEKAGEL-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)","""AuxInfo=1/1/N:8,7,9,6,10,18,22,13,23,19,21,12,24,15,4,14,5,17,2,20,16,11,1,3/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCOCCCCCCCNCCCCNCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL856829,PMID:17249648,2007.0,PMID:17249648,2007,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOIJMSVOEKAGEL_on_Q13224_WT,High,ChEMBL30,CHEMBL219060,O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1,OOIJMSVOEKAGEL,OOIJMSVOEKAGEL-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)","""AuxInfo=1/1/N:8,7,9,6,10,18,22,13,23,19,21,12,24,15,4,14,5,17,2,20,16,11,1,3/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCOCCCCCCCNCCCCNCCCNCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856828;CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,1;0,0,0;1,0,,=,  8.800;  7.970,8.385,0.415,0.415,2.0,8.385,0.415
-OOKNJSVAHXTYKL_on_O15399_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_O60391_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_Q05586_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_Q12879_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_Q13224_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOKNJSVAHXTYKL_on_Q14957_WT,Low,ChEMBL30,CHEMBL282424,Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1,OOKNJSVAHXTYKL,OOKNJSVAHXTYKL-UHFFFAOYSA-N,"InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)","""AuxInfo=1/1/N:22,21,15,14,23,20,16,6,18,5,19,10,8,9,13,2,3,12,1,17,11,7,4/E:(8,9)(10,11)/rA:23FCCNCCNCCCNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s7;s4s18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOLBYBOPYDRLHD_on_O00222_WT,High,ChEMBL30,CHEMBL2381641,C=C1CC(N)(C(=O)O)C2C1C2C(=O)O,OOLBYBOPYDRLHD,OOLBYBOPYDRLHD-UHFFFAOYSA-N,"InChI=1S/C9H11NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h4-6H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,10,11,9,12,6,4,5,13,14,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCCOO/rB:d1;s2;s3;s4;s4;d6;s6;s4;s2s9;s9s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2382523,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-OOLBYBOPYDRLHD_on_O15303_WT,High,ExCAPE-DB;ChEMBL30,70051926;CHEMBL2381641,C=C1CC(N)(C(=O)O)C2C1C2C(=O)O,OOLBYBOPYDRLHD,OOLBYBOPYDRLHD-UHFFFAOYSA-N,"InChI=1S/C9H11NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h4-6H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,10,11,9,12,6,4,5,13,14,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCCOO/rB:d1;s2;s3;s4;s4;d6;s6;s4;s2s9;s9s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:748161;CHEMBL2382644,PMID:23675965,2013.0,PubChemAID:748161;PMID:23675965,2014;2013,0;1,0,0,0,1;0,,=,  6.573;  6.570,6.572,0.002,0.002,2.0,6.572,0.002
-OOLBYBOPYDRLHD_on_Q14416_WT,High,ChEMBL30,CHEMBL2381641,C=C1CC(N)(C(=O)O)C2C1C2C(=O)O,OOLBYBOPYDRLHD,OOLBYBOPYDRLHD-UHFFFAOYSA-N,"InChI=1S/C9H11NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h4-6H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,10,11,9,12,6,4,5,13,14,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCCOO/rB:d1;s2;s3;s4;s4;d6;s6;s4;s2s9;s9s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2383450,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-OOLBYBOPYDRLHD_on_Q14832_WT,High,ChEMBL30,CHEMBL2381641,C=C1CC(N)(C(=O)O)C2C1C2C(=O)O,OOLBYBOPYDRLHD,OOLBYBOPYDRLHD-UHFFFAOYSA-N,"InChI=1S/C9H11NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h4-6H,1-2,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,10,11,9,12,6,4,5,13,14,7,8/E:(11,12)(13,14)/rA:14CCCCNCOOCCCCOO/rB:d1;s2;s3;s4;s4;d6;s6;s4;s2s9;s9s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2383344,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-OOMFBEICGHDDND_on_Q14416_WT,High,ChEMBL30,CHEMBL1669382,CCCn1ccc2c(c(Cl)cc(-c3cncnc3)c2)c1=O,OOMFBEICGHDDND,OOMFBEICGHDDND-UHFFFAOYSA-N,"InChI=1S/C16H14ClN3O/c1-2-4-20-5-3-11-6-12(13-8-18-10-19-9-13)7-14(17)15(11)16(20)21/h3,5-10H,2,4H2,1H3","""AuxInfo=1/0/N:1,2,6,3,5,19,11,14,18,16,7,12,13,9,8,20,10,15,17,4,21/E:(8,9)(18,19)/rA:21CCCNCCCCCClCCCCNCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s13d17;s7d12;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OOMGFYHJTDMGCN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3759994,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)cc[nH]1,OOMGFYHJTDMGCN,OOMGFYHJTDMGCN-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3/c1-11-13(8-9-22-11)18(25)23-12-6-7-17(16(21)10-12)24-19(26)14-4-2-3-5-15(14)20(24)27/h2-10,22H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,25,26,24,2,7,3,15,14,22,10,4,20,12,23,27,6,11,5,21,13/E:(2,3)(4,5)(14,15)(19,20)(26,27)/rA:27CCCCONCCCCNCOCCCCCCCOCClCCCN/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-OOQQSPQZOGECBR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL197927;11369816,Cc1cccc(Nc2ncccc2OCc2ccccc2)n1,OOQQSPQZOGECBR,OOQQSPQZOGECBR-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-14-7-5-11-17(20-14)21-18-16(10-6-12-19-18)22-13-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,19,18,20,4,11,3,17,21,12,5,10,15,2,16,13,6,8,9,22,7,14/E:(3,4)(8,9)/rA:22CCCCCCNCNCCCCOCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.060;  6.060,6.06,0.0,0.0,2.0,6.06,0.0
-OOQZHWDNDNVALU_on_P41594_WT,High,ChEMBL30,CHEMBL2408412,CC1CC(=O)c2c(C1)ncc(C#Cc1ccccc1)c2,OOQZHWDNDNVALU,OOQZHWDNDNVALU-UHFFFAOYSA-N,"InChI=1S/C18H15NO/c1-13-9-17-16(18(20)10-13)11-15(12-19-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,9-10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,8,3,20,10,2,14,11,6,7,4,9,5/E:(3,4)(5,6)/rA:20CCCCOCCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-OOTAQHRUCFIGFZ_on_P14867_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.660;  6.660,6.66,0.0,0.0,2.0,6.66,0.0
-OOTAQHRUCFIGFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822165;CHEMBL823916;CHEMBL678329;CHEMBL683045;CHEMBL681248;CHEMBL824296;CHEMBL681480;CHEMBL682251;CHEMBL683047;CHEMBL685338,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648,1998;1998;2000;2000;2000;1998;2000;2000;1998;1998,0,0,0,1,0,,=,  6.660;  6.740;  6.660;  6.440;  6.820;  6.820;  7.900;  6.740;  6.440;  7.900,6.912000000000001,0.51,0.17,10.0,6.74,0.08
-OOTAQHRUCFIGFZ_on_P28472_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL824296;CHEMBL678329;CHEMBL683045;CHEMBL682251;CHEMBL681480;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  6.740;  6.660;  7.900;  6.440;  6.820;  6.660;  6.440;  6.740;  7.900;  6.820,6.912000000000001,0.51,0.17,10.0,6.74,0.08
-OOTAQHRUCFIGFZ_on_P31644_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.900;  7.900,7.9,0.0,0.0,2.0,7.9,0.0
-OOTAQHRUCFIGFZ_on_P34903_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.740;  6.740,6.74,0.0,0.0,2.0,6.74,0.0
-OOTAQHRUCFIGFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.820;  6.820,6.82,0.0,0.0,2.0,6.82,0.0
-OOTAQHRUCFIGFZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL339172,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21,OOTAQHRUCFIGFZ,OOTAQHRUCFIGFZ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O2/c1-3-11-5-6-13-12(9-11)19(25)23-8-7-14(23)17-16(20-10-24(13)17)18-21-15(4-2)22-26-18/h1,5-6,9-10,14H,4,7-8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,13,12,8,25,3,7,6,14,19,16,15,17,9,24,18,22,11,26,10,23/rA:26CCCCCCCCCONCCCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;s20;d19;s17s22;s16;d24;s6s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.440;  6.440,6.44,0.0,0.0,2.0,6.44,0.0
-OOTQJNYNAWRSNT_on_P41594_WT,Low,ChEMBL30,CHEMBL2164542,FC(F)(F)c1cc(C(F)(F)F)cc(-c2nc(-c3ncccc3)no2)c1,OOTQJNYNAWRSNT,OOTQJNYNAWRSNT-UHFFFAOYSA-N,"InChI=1S/C15H7F6N3O/c16-14(17,18)9-5-8(6-10(7-9)15(19,20)21)13-23-12(24-25-13)11-3-1-2-4-22-11/h1-7H","""AuxInfo=1/0/N:21,20,22,19,12,25,6,13,7,5,17,16,14,8,2,9,10,11,1,3,4,18,15,23,24/E:(5,6)(9,10)(14,15)(16,17,18,19,20,21)/rA:25FCFFCCCCFFFCCCNCCNCCCCNOC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s8;s8;d7;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;d16;s14s23;s5d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OOWXUDJNUOKLDH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3976706,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc43)cc2n1,OOWXUDJNUOKLDH,OOWXUDJNUOKLDH-UHFFFAOYSA-N,"InChI=1S/C26H18F4N4O/c27-17-8-6-16(7-9-17)19-12-22(25(31)35)32-21-11-15(5-10-18(19)21)14-34-23-4-2-1-3-20(23)33-24(34)13-26(28,29)30/h1-12H,13-14H2,(H2,31,35)","""AuxInfo=1/1/N:29,30,28,31,16,8,13,9,12,15,33,5,21,18,17,7,10,14,6,27,34,4,32,20,2,22,11,23,24,25,1,35,26,19,3/E:(6,7)(8,9)(28,29,30)/rA:35NCOCCCCCCCFCCCCCCCNCCCFFFNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s22;d20;s26;d27;s28;d29;s30;s19s27d31;d17;s14s33;s4d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-OOYAAXVFYWLSCE_on_Q14833_WT,High,ChEMBL30,CHEMBL3809341,O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1,OOYAAXVFYWLSCE,OOYAAXVFYWLSCE-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O3S2/c17-12-6-2-1-5-11(12)10-25(22,23)14-9-19-16(24-14)20-15(21)13-7-3-4-8-18-13/h1-9H,10H2,(H,19,20,21)","""AuxInfo=1/1/N:14,15,22,23,13,16,21,24,6,11,12,17,20,7,2,4,18,25,5,3,1,9,10,19,8/E:(22,23)/CRV:25.6/rA:25OCNCNCCSOOCCCCCCCClSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s17;s4s7;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.720;  6.720,6.72,0.0,0.0,2.0,6.72,0.0
-OPACNJRYYGOHET_on_P14867_WT,Medium,ChEMBL30,CHEMBL147364,Oc1nc2c(CN(Cc3cccs3)CC2)c2nc(-c3c(F)cccc3)cn12,OPACNJRYYGOHET,OPACNJRYYGOHET-UHFFFAOYSA-N,"InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)","""AuxInfo=1/1/N:24,23,11,10,25,22,15,14,12,8,6,26,9,19,5,20,4,18,16,2,21,17,3,7,27,1,13/rA:27OCNCCCNCCCCCSCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s9s12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-OPACNJRYYGOHET_on_P31644_WT,Medium,ChEMBL30,CHEMBL147364,Oc1nc2c(CN(Cc3cccs3)CC2)c2nc(-c3c(F)cccc3)cn12,OPACNJRYYGOHET,OPACNJRYYGOHET-UHFFFAOYSA-N,"InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)","""AuxInfo=1/1/N:24,23,11,10,25,22,15,14,12,8,6,26,9,19,5,20,4,18,16,2,21,17,3,7,27,1,13/rA:27OCNCCCNCCCCCSCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s9s12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-OPACNJRYYGOHET_on_P34903_WT,Medium,ChEMBL30,CHEMBL147364,Oc1nc2c(CN(Cc3cccs3)CC2)c2nc(-c3c(F)cccc3)cn12,OPACNJRYYGOHET,OPACNJRYYGOHET-UHFFFAOYSA-N,"InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)","""AuxInfo=1/1/N:24,23,11,10,25,22,15,14,12,8,6,26,9,19,5,20,4,18,16,2,21,17,3,7,27,1,13/rA:27OCNCCCNCCCCCSCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s9s12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-OPACNJRYYGOHET_on_P47869_WT,Medium,ChEMBL30,CHEMBL147364,Oc1nc2c(CN(Cc3cccs3)CC2)c2nc(-c3c(F)cccc3)cn12,OPACNJRYYGOHET,OPACNJRYYGOHET-UHFFFAOYSA-N,"InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)","""AuxInfo=1/1/N:24,23,11,10,25,22,15,14,12,8,6,26,9,19,5,20,4,18,16,2,21,17,3,7,27,1,13/rA:27OCNCCCNCCCCCSCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s9s12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-OPBKSBGSKKJQAR_on_P14867_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-OPBKSBGSKKJQAR_on_P18507_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460;  7.000;  8.570;  7.750,7.695,0.5720000000000001,0.33,4.0,7.605,0.375
-OPBKSBGSKKJQAR_on_P28472_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460;  7.750;  7.000;  8.570,7.695,0.5720000000000001,0.33,4.0,7.605,0.375
-OPBKSBGSKKJQAR_on_P31644_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-OPBKSBGSKKJQAR_on_P34903_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-OPBKSBGSKKJQAR_on_P47869_WT,Low,ChEMBL30,CHEMBL179699,c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1,OPBKSBGSKKJQAR,OPBKSBGSKKJQAR-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-12-16-22-10-11-28-16/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,16,17,13,24,21,4,14,9,10,5,8,11,15,6,7,19,20,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCNCCSNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s14s17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-OPKPLRYJWROWIB_on_P41594_WT,High,ChEMBL30,CHEMBL3672897,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nc(Cl)cc2,OPKPLRYJWROWIB,OPKPLRYJWROWIB-UHFFFAOYSA-N,"InChI=1S/C16H13BrClN5O/c17-11-8-19-15-7-13(21-23(15)9-11)16(24)22-5-3-10-1-2-14(18)20-12(10)4-6-22/h1-2,7-9H,3-6H2","""AuxInfo=1/0/N:24,23,15,18,14,19,12,9,6,16,7,17,3,21,11,2,8,22,10,20,4,13,5,1/rA:24OCCNNCCBrCNCCNCCCCCCNCClCC/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;d20;s21;s21;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-OPMIQGMTRGXAQY_on_O00591_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_O14764_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P14867_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P18505_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P18507_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P28472_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P31644_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P34903_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P47869_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P47870_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P48169_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_P78334_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_Q16445_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPMIQGMTRGXAQY_on_Q99928_WT,Low,ChEMBL30,CHEMBL76793,Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1,OPMIQGMTRGXAQY,OPMIQGMTRGXAQY-UHFFFAOYSA-N,"InChI=1S/C21H23N5/c1-14-7-8-22-21-20(14)24-13-26(21)17-5-6-19-18(11-17)15(12-23-19)10-16-4-3-9-25(16)2/h5-8,11-13,16,23H,3-4,9-10H2,1-2H3","""AuxInfo=1/0/N:1,22,19,18,12,11,26,25,20,16,8,14,5,2,15,17,7,9,10,3,23,24,13,4,21,6/rA:26CCCNCNCCCCCCNCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;s15;s16;s17;s18;s19;s17s20;s21;s3s6;d23;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OPNUROKCUBTKLF_on_O15399_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_O60391_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.970;  5.110,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_Q05586_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_Q12879_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_Q13224_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPNUROKCUBTKLF_on_Q14957_WT,Low,ChEMBL30,CHEMBL282433,Cc1c(NC(=N)Nc2ccccc2C)cccc1,OPNUROKCUBTKLF,OPNUROKCUBTKLF-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,17,11,16,10,18,12,15,9,2,13,3,8,5,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCNCNNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;s13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.110;  4.970,5.04,0.07,0.07,2.0,5.04,0.07
-OPOPTKODSRGSJH_on_P41594_WT,Medium,ChEMBL30,CHEMBL4111177,O=C1OCC2CCCC2N1c1ccc(C#Cc2ccc(F)cc2)cn1,OPOPTKODSRGSJH,OPOPTKODSRGSJH-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O2/c21-17-9-6-14(7-10-17)4-5-15-8-11-19(22-12-15)23-18-3-1-2-16(18)13-25-20(23)24/h6-12,16,18H,1-3,13H2","""AuxInfo=1/0/N:7,6,8,16,15,18,23,13,19,22,12,24,4,17,14,5,20,9,11,2,21,25,10,1,3/E:(6,7)(9,10)/rA:25OCOCCCCCCNCCCCCCCCCCFCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s20;s17d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887765,PATENT:US9221802B2,2015.0,PATENT:US9221802B2,2015,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-OPOXCSGASPSQQJ_on_Q05586_WT,High,ChEMBL30,CHEMBL247034,CC(O)CN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,OPOXCSGASPSQQJ,OPOXCSGASPSQQJ-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3O5S/c1-5(18)4-17(23(2,21)22)10-8(14)6(13)3-7-9(10)16-12(20)11(19)15-7/h3,5,18H,4H2,1-2H3,(H,15,19)(H,16,20)","""AuxInfo=1/1/N:1,21,15,4,2,16,14,18,7,6,11,9,17,19,13,8,5,3,12,10,22,23,20/E:(21,22)/CRV:23.6/rA:23CCOCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;s18;s5;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-OPQOKJHUKMWWKN_on_O15399_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748063;CHEMBL748064,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.580;  4.920,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_O60391_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748064;CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920;  4.580,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748064;CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920;  4.580,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_Q05586_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748063;CHEMBL748064,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.580;  4.920,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_Q12879_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748063;CHEMBL748064,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.580;  4.920,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_Q13224_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748063;CHEMBL748064,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.580;  4.920,4.75,0.17,0.17,2.0,4.75,0.17
-OPQOKJHUKMWWKN_on_Q14957_WT,Low,ChEMBL30,CHEMBL62809,O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1,OPQOKJHUKMWWKN,OPQOKJHUKMWWKN-UHFFFAOYSA-N,"InChI=1S/C14H22N4O2/c19-14(20)13-6-11-5-9(1-3-10(11)7-15-13)2-4-12-8-16-18-17-12/h9-11,13,15H,1-8H2,(H,19,20)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,15,8,18,6,11,4,2,20,14,12,13,1,3/E:(19,20)/rA:20OCOCCCCCCCCNNNCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;w?11;s12;w?13;s11s14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748064;CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920;  4.580,4.75,0.17,0.17,2.0,4.75,0.17
-OPQPNNDWLAICGL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3933840,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1,OPQPNNDWLAICGL,OPQPNNDWLAICGL-UHFFFAOYSA-N,"InChI=1S/C22H19F3N4O2/c1-13-9-16(10-14(2)27-13)20-18-5-7-30-8-6-29(18)21(28-20)15-3-4-19(17(11-15)12-26)31-22(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,7,11,8,10,3,28,26,24,2,29,14,4,23,6,17,5,13,19,20,21,22,25,31,27,12,9,18/E:(1,2)(9,10)(13,14)(23,24,25)/rA:31CCCCCCCCOCCNCCCCCOCFFFCCNCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;t24;s14d23;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-OPTNUUNOOBQWMQ_on_P41594_WT,High,ChEMBL30,CHEMBL3655588,O=C(Nc1cc(Oc2ccc(C(F)(F)F)nc2)ccn1)c1cccc(Cl)c1,OPTNUUNOOBQWMQ,OPTNUUNOOBQWMQ-UHFFFAOYSA-N,"InChI=1S/C18H11ClF3N3O2/c19-12-3-1-2-11(8-12)17(26)25-16-9-13(6-7-23-16)27-14-4-5-15(24-10-14)18(20,21)22/h1-10H,(H,23,25,26)","""AuxInfo=1/1/N:23,22,24,9,10,18,19,27,5,17,21,25,6,8,11,4,2,12,26,13,14,15,20,16,3,1,7/E:(20,21,22)/rA:27OCNCCCOCCCCCFFFNCCCNCCCCCClC/rB:d1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s12;s12;s11;s8d16;d6;s18;s4d19;s2;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-OPUWYJQKOKACKJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3221834,CCCn1ccc2c(cccc2NCCc2ccc(OC)cc2)c1=O,OPUWYJQKOKACKJ,OPUWYJQKOKACKJ-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2/c1-3-14-23-15-12-18-19(21(23)24)5-4-6-20(18)22-13-11-16-7-9-17(25-2)10-8-16/h4-10,12,15,22H,3,11,13-14H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,11,17,23,18,22,15,6,14,3,5,16,19,7,8,12,24,13,4,25,20/E:(7,8)(9,10)/rA:25CCCNCCCCCCCCNCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s19;s16d22;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-OPVLILNLYPASRU_on_Q14416_WT,High,ChEMBL30,CHEMBL4095567,NC1(C(=O)O)CC(NC(=O)c2ccc(Cl)cc2)C2C(C(=O)O)C21,OPVLILNLYPASRU,OPVLILNLYPASRU-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-3-1-6(2-4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,15,1,8,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCClCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.160;  6.860,7.51,0.65,0.65,2.0,7.51,0.65
-OPVLILNLYPASRU_on_Q14832_WT,High,ChEMBL30,CHEMBL4095567,NC1(C(=O)O)CC(NC(=O)c2ccc(Cl)cc2)C2C(C(=O)O)C21,OPVLILNLYPASRU,OPVLILNLYPASRU-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-3-1-6(2-4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,15,1,8,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCClCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.290;  8.640,8.465,0.175,0.175,2.0,8.465,0.175
-OPVQMZQNZMVWHA_on_O15399_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_O60391_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_Q05586_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_Q12879_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_Q13224_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OPVQMZQNZMVWHA_on_Q14957_WT,Low,ChEMBL30,CHEMBL288384,Cc1c(Cl)cc2nc(O)c(O)nc2c1,OPVQMZQNZMVWHA,OPVQMZQNZMVWHA-UHFFFAOYSA-N,"InChI=1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,14,5,2,3,13,6,10,8,4,12,7,11,9/rA:14CCCClCCNCOCONCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OQAGESCIURROBL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3974406,CC(C)CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1,OQAGESCIURROBL,OQAGESCIURROBL-UHFFFAOYSA-N,"InChI=1S/C23H29N5O2/c1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29)","""AuxInfo=1/1/N:1,3,17,10,11,28,29,4,27,20,19,8,15,6,2,9,14,5,12,13,26,21,22,23,18,25,16,7,24,30/E:(1,2)/rA:30CCCCCCNCCCCCCCCNCNCCCCNONCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;s16;s16;s14d18;d13;s20;s21;s22;d22;d21;s12s25;s9d26;s7;s28;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-OQBBXIJMKTYKAW_on_Q05586_WT,Medium,ChEMBL30,CHEMBL162675,CC(NCc1c2nc(O)c(O)nc2cc(F)c1)P(=O)(O)O,OQBBXIJMKTYKAW,OQBBXIJMKTYKAW-UHFFFAOYSA-N,"InChI=1S/C11H13FN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)","""AuxInfo=1/1/N:1,17,14,4,2,5,15,13,6,10,8,16,3,12,7,11,9,19,20,21,18/E:(18,19,20)/rA:21CCNCCCNCOCONCCCFCPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;s5d15;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-OQBFYUXXFRZGIT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44409647;CHEMBL383758,Cc1nc(OCc2cc(Cl)ccc2)cc(-c2c(CO)nco2)c1,OQBFYUXXFRZGIT,OQBFYUXXFRZGIT-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O3/c1-11-5-13(17-15(8-21)19-10-23-17)7-16(20-11)22-9-12-3-2-4-14(18)6-12/h2-7,10,21H,8-9H2,1H3","""AuxInfo=1/0/N:1,12,13,11,23,8,14,18,6,21,2,7,15,9,17,4,16,10,20,3,19,5,22/rA:23CCNCOCCCCClCCCCCCCCONCOC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s15;d16;s17;s18;s17;d20;s16s21;s2d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  7.553;  7.550,7.551,0.002,0.002,2.0,7.551,0.002
-OQBUKKQQCODHGN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3913916,CCCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1F,OQBUKKQQCODHGN,OQBUKKQQCODHGN-UHFFFAOYSA-N,"InChI=1S/C23H26FN3O2/c1-4-9-29-21-14-17(5-6-19(21)24)23-26-22(18-12-15(2)25-16(3)13-18)20-7-10-28-11-8-27(20)23/h5-6,12-14H,4,7-11H2,1-3H3","""AuxInfo=1/0/N:1,14,17,2,26,27,20,24,3,21,23,12,18,6,13,16,7,11,28,19,5,10,8,29,15,9,25,22,4/E:(2,3)(12,13)(15,16)/rA:29CCCOCCCCNCCCCCNCCCCCCOCCNCCCF/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s8s19s24;d7;s26;s5d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-OQCIHSFMLURANM_on_Q05586_WT,Medium,ChEMBL30,CHEMBL354295,CC(NCc1c2nc(O)c(O)nc2cc(I)c1)P(=O)(O)O,OQCIHSFMLURANM,OQCIHSFMLURANM-UHFFFAOYSA-N,"InChI=1S/C11H13IN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)","""AuxInfo=1/1/N:1,17,14,4,2,5,15,13,6,10,8,16,3,12,7,11,9,19,20,21,18/E:(18,19,20)/rA:21CCNCCCNCOCONCCCICPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;s5d15;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OQFHJKZVOALSPV_on_P14867_WT,Low,ChEMBL30,CHEMBL89700,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)cc1,OQFHJKZVOALSPV,OQFHJKZVOALSPV-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,12,15,2,11,3,10,21,17,20,16,5,8,4,7,9,6,18,13,19,14/rA:21CCCCCCCCCCCCCOCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-OQFHJKZVOALSPV_on_P47870_WT,Low,ChEMBL30,CHEMBL89700,C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)cc1,OQFHJKZVOALSPV,OQFHJKZVOALSPV-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,12,15,2,11,3,10,21,17,20,16,5,8,4,7,9,6,18,13,19,14/rA:21CCCCCCCCCCCCCOCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;d9;s13;s14;s13;s7d16;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-OQGDCKIEROUABZ_on_P14867_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-OQGDCKIEROUABZ_on_P18507_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.750;  7.470;  6.330;  6.570,6.78,0.425,0.24600000000000002,4.0,6.66,0.21
-OQGDCKIEROUABZ_on_P28472_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.470;  6.570;  6.330;  6.750,6.78,0.425,0.24600000000000002,4.0,6.66,0.21
-OQGDCKIEROUABZ_on_P31644_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-OQGDCKIEROUABZ_on_P34903_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-OQGDCKIEROUABZ_on_P47869_WT,Low,ChEMBL30,CHEMBL178632,Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,OQGDCKIEROUABZ,OQGDCKIEROUABZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c29-18-7-4-12-24-17(18)13-30-23-20-15-10-8-14(9-11-15)19(20)22-26-25-21(28(22)27-23)16-5-2-1-3-6-16/h1-7,12,14-15,29H,8-11,13H2","""AuxInfo=1/0/N:17,16,18,4,15,19,3,27,29,26,30,5,8,28,25,14,7,2,23,24,13,22,10,6,20,21,11,12,1,9/E:(2,3)(5,6)(8,9)(10,11)/rA:30OCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-OQSPJPBNWLMUII_on_P31644_WT,High,ChEMBL30,CHEMBL3681502,Cc1c(COc2ccc(C(=O)NC3CCOC3)cn2)c(-c2ccccc2)no1,OQSPJPBNWLMUII,OQSPJPBNWLMUII-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-14-18(20(24-28-14)15-5-3-2-4-6-15)13-27-19-8-7-16(11-22-19)21(25)23-17-9-10-26-12-17/h2-8,11,17H,9-10,12-13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,14,15,18,17,4,2,21,9,13,3,6,20,10,19,12,27,11,16,5,28/E:(3,4)(5,6)/rA:28CCCCOCCCCCONCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s13s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-OQUMKNQHNICOQF_on_P31644_WT,High,ChEMBL30,CHEMBL3681612,CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,OQUMKNQHNICOQF,OQUMKNQHNICOQF-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O4/c1-13(26)22-8-9-23-20(27)15-4-7-18(24-10-15)28-11-16-12-29-25-19(16)14-2-5-17(21)6-3-14/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,27)","""AuxInfo=1/1/N:1,22,27,11,23,26,12,5,6,29,15,17,2,21,10,16,24,13,20,8,25,4,7,28,19,3,9,14,18/E:(2,3)(5,6)/rA:29CCONCCNCOCCCCOCCCONCCCCCFCCNC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-OQUSXOXYJDOZQS_on_Q13255_WT,Low,ChEMBL30,CHEMBL313713,CC(N)(Cn1c(=O)[nH]oc1=O)C(=O)O,OQUSXOXYJDOZQS,OQUSXOXYJDOZQS-UHFFFAOYSA-N,"InChI=1S/C6H9N3O5/c1-6(7,3(10)11)2-9-4(12)8-14-5(9)13/h2,7H2,1H3,(H,8,12)(H,10,11)","""AuxInfo=1/1/N:1,4,12,6,10,2,3,8,5,13,14,7,11,9/E:(10,11)/rA:14CCNCNCONOCOCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-OQUSXOXYJDOZQS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL313713,CC(N)(Cn1c(=O)[nH]oc1=O)C(=O)O,OQUSXOXYJDOZQS,OQUSXOXYJDOZQS-UHFFFAOYSA-N,"InChI=1S/C6H9N3O5/c1-6(7,3(10)11)2-9-4(12)8-14-5(9)13/h2,7H2,1H3,(H,8,12)(H,10,11)","""AuxInfo=1/1/N:1,4,12,6,10,2,3,8,5,13,14,7,11,9/E:(10,11)/rA:14CCNCNCONOCOCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5s9;d10;s2;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-OQVSPZZIBWDHOF_on_Q14416_WT,High,ChEMBL30,CHEMBL1884989,c1ccc(Cn2nnc3c2cccc3)cc1,OQVSPZZIBWDHOF,OQVSPZZIBWDHOF-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2","""AuxInfo=1/0/N:1,2,16,13,12,3,15,14,11,5,4,9,10,8,7,6/E:(2,3)(6,7)/rA:16CCCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;s9d13;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4309066,PMID:29505715,2018.0,PMID:29505715,2018,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-ORCNDQDLFHQBRB_on_P18507_WT,Low,ChEMBL30,CHEMBL211704,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccs1,ORCNDQDLFHQBRB,ORCNDQDLFHQBRB-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)10-28-19-17(15-7-4-8-29-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,8,29/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCS/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-ORCNDQDLFHQBRB_on_P28472_WT,Low,ChEMBL30,CHEMBL211704,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccs1,ORCNDQDLFHQBRB,ORCNDQDLFHQBRB-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)10-28-19-17(15-7-4-8-29-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,8,29/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCS/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-ORCNDQDLFHQBRB_on_P34903_WT,Low,ChEMBL30,CHEMBL211704,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccs1,ORCNDQDLFHQBRB,ORCNDQDLFHQBRB-UHFFFAOYSA-N,"InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)10-28-19-17(15-7-4-8-29-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,17,26,28,22,7,4,13,18,23,25,6,24,12,9,19,5,21,3,20,10,2,11,8,29/rA:29CNNCNCCOCNNCCCCCCCFNNCCCCCCCS/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-ORDIQDAXVDBJFJ_on_O15399_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_O60391_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDIQDAXVDBJFJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL43122,CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,ORDIQDAXVDBJFJ,ORDIQDAXVDBJFJ-UHFFFAOYSA-N,"InChI=1S/C12H12FN3O5/c1-2-3-4-21-10-6(13)5-7-8(9(10)16(19)20)15-12(18)11(17)14-7/h5H,2-4H2,1H3,(H,14,17)(H,15,18)","""AuxInfo=1/1/N:1,2,3,4,13,14,12,11,7,6,17,19,15,16,21,8,18,20,9,10,5/E:(19,20)/CRV:16.5/rA:21CCCCOCCN+OO-CCCCFNCOCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s14;s12;d16;s17;s17;s19;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-ORDSOSQROZOFQQ_on_P41594_WT,High,ChEMBL30,CHEMBL426826,CCOc1cccnc1Nc1nc(C)ccc1,ORDSOSQROZOFQQ,ORDSOSQROZOFQQ-UHFFFAOYSA-N,"InChI=1S/C13H15N3O/c1-3-17-11-7-5-9-14-13(11)16-12-8-4-6-10(2)15-12/h4-9H,3H2,1-2H3,(H,14,15,16)","""AuxInfo=1/1/N:1,14,2,16,6,15,5,17,7,13,4,11,9,8,12,10,3/rA:17CCOCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;s13;d13;s15;s11d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-OREIQOCZSAKNDO_on_O15399_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OREIQOCZSAKNDO_on_O60391_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OREIQOCZSAKNDO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OREIQOCZSAKNDO_on_Q05586_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.100;  7.770,7.935,0.165,0.165,2.0,7.935,0.165
-OREIQOCZSAKNDO_on_Q12879_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-OREIQOCZSAKNDO_on_Q13224_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770;  8.100,7.935,0.165,0.165,2.0,7.935,0.165
-OREIQOCZSAKNDO_on_Q14957_WT,Low,ChEMBL30,CHEMBL183825,Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1,OREIQOCZSAKNDO,OREIQOCZSAKNDO-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)","""AuxInfo=1/1/N:1,3,29,17,4,28,18,8,27,9,26,25,2,16,5,7,19,24,13,11,21,15,20,10,14,12,22,6,23/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCOCCCNCOCONCCCCNCOSCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-ORFSHDWOPQJKQL_on_P41594_WT,High,ChEMBL30,CHEMBL202124,Cc1nc(C#Cc2cccc(Cl)c2)cs1,ORFSHDWOPQJKQL,ORFSHDWOPQJKQL-UHFFFAOYSA-N,"InChI=1S/C12H8ClNS/c1-9-14-12(8-15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,13,14,2,7,11,4,12,3,15/rA:15CCNCCCCCCCCClCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-ORGHBKVIGSUKOS_on_Q14416_WT,High,ChEMBL30,CHEMBL1097984,O=C1OC(COc2cccc(Cl)c2)CN1c1ccccc1,ORGHBKVIGSUKOS,ORGHBKVIGSUKOS-UHFFFAOYSA-N,"InChI=1S/C16H14ClNO3/c17-12-5-4-8-14(9-12)20-11-15-10-18(16(19)21-15)13-6-2-1-3-7-13/h1-9,15H,10-11H2","""AuxInfo=1/0/N:19,18,20,9,10,17,21,8,13,14,5,11,16,7,4,2,12,15,1,6,3/E:(2,3)(6,7)/rA:21OCOCCOCCCCCClCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-ORHYLNXULCSECE_on_P41594_WT,Low,ChEMBL30,CHEMBL1093868,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(O)n4)c2=O)cc1,ORHYLNXULCSECE,ORHYLNXULCSECE-UHFFFAOYSA-N,"InChI=1S/C15H11N5O2S/c1-7-2-4-8(5-3-7)20-6-17-10-9-12(16)18-15(22)19-13(9)23-11(10)14(20)21/h2-6H,1H3,(H3,16,18,19,22)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,8,16,19,6,21,18,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ORHYLNXULCSECE_on_Q13255_WT,Low,ChEMBL30,CHEMBL1093868,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(O)n4)c2=O)cc1,ORHYLNXULCSECE,ORHYLNXULCSECE-UHFFFAOYSA-N,"InChI=1S/C15H11N5O2S/c1-7-2-4-8(5-3-7)20-6-17-10-9-12(16)18-15(22)19-13(9)23-11(10)14(20)21/h2-6H,1H3,(H3,16,18,19,22)","""AuxInfo=1/1/N:1,3,23,4,22,7,2,5,13,9,10,14,12,20,17,15,8,16,19,6,21,18,11/E:(2,3)(4,5)/rA:23CCCCCNCNCCSCCCNNCONCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ORJNBGRVTFLPLF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1234888,CNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C,ORJNBGRVTFLPLF,ORJNBGRVTFLPLF-UHFFFAOYSA-N,"InChI=1S/C20H29N5O2S/c1-20(2,3)17-12(9-22-4)10-25(24-17)11-15(26)23-19-16(18(21)27)13-7-5-6-8-14(13)28-19/h10,22H,5-9,11H2,1-4H3,(H2,21,27)(H,23,26)","""AuxInfo=1/1/N:26,27,28,1,20,19,21,18,3,5,7,4,16,17,8,12,24,13,11,25,14,2,10,23,6,9,15,22/E:(1,2,3)/rA:28CNCCCNCCONCCCNOCCCCCCSNCCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s12;d16;s17;s18;s19;s16s20;s11s17;s6;s4d23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-ORJZGDWYWRKAAI_on_P14867_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.140;  8.140,8.14,0.0,0.0,2.0,8.14,0.0
-ORJZGDWYWRKAAI_on_P18507_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL683047;CHEMBL822165;CHEMBL681248;CHEMBL823916;CHEMBL678329;CHEMBL683045;CHEMBL682251;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;2000;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  9.520;  8.280;  8.140;  7.660;  8.250;  8.140;  8.280;  8.010;  9.520,8.422,0.614,0.217,9.0,8.25,0.11
-ORJZGDWYWRKAAI_on_P28472_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL682251;CHEMBL823916;CHEMBL681480;CHEMBL683045;CHEMBL683047;CHEMBL678329;CHEMBL822165;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648,2000;2000;1998;2000;2000;1998;2000;1998;1998,0,0,0,1,0,,=,  7.660;  8.010;  8.250;  9.520;  8.280;  8.280;  8.140;  8.140;  9.520,8.422,0.614,0.217,9.0,8.25,0.11
-ORJZGDWYWRKAAI_on_P31644_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.520;  9.520,9.52,0.0,0.0,2.0,9.52,0.0
-ORJZGDWYWRKAAI_on_P34903_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.010;  8.250,8.13,0.12,0.12,2.0,8.13,0.12
-ORJZGDWYWRKAAI_on_P47869_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ORJZGDWYWRKAAI_on_Q16445_WT,Low,ChEMBL30,CHEMBL6421,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O,ORJZGDWYWRKAAI,ORJZGDWYWRKAAI-UHFFFAOYSA-N,"InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,22,13,20,21,2,15,26,7,8/E:(1,2,3)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCNN+N-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.280;  8.280,8.28,0.0,0.0,2.0,8.28,0.0
-ORKQFLKMWFFOCP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3965339,CN1C(=O)N(c2ccc(C#Cc3ccccc3)nn2)C2CCCC21,ORKQFLKMWFFOCP,ORKQFLKMWFFOCP-UHFFFAOYSA-N,"InChI=1S/C19H18N4O/c1-22-16-8-5-9-17(16)23(19(22)24)18-13-12-15(20-21-18)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-17H,5,8-9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,13,17,23,21,11,10,8,7,12,9,24,20,6,3,18,19,2,5,4/E:(3,4)(6,7)/rA:24CNCONCCCCCCCCCCCCNNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s2s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-ORMIXFREJLULCD_on_P41594_WT,Low,ChEMBL30,CHEMBL257700,Cc1cn2cccc2c(C#Cc2ccc(Br)cc2)n1,ORMIXFREJLULCD,ORMIXFREJLULCD-UHFFFAOYSA-N,"InChI=1S/C16H11BrN2/c1-12-11-19-10-2-3-16(19)15(18-12)9-6-13-4-7-14(17)8-5-13/h2-5,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,6,7,13,18,11,14,17,10,5,3,2,12,15,9,8,16,19,4/E:(4,5)(7,8)/rA:19CCCNCCCCCCCCCCCBrCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s2d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-ORNXCULLRYHKRQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337511,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O,ORNXCULLRYHKRQ,ORNXCULLRYHKRQ-UHFFFAOYSA-N,"InChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2","""AuxInfo=1/0/N:12,11,13,10,14,23,24,21,7,15,17,20,6,16,18,2,22,9,8,3,4,25,1,5,19,26/E:(2,3)(4,5)(6,7)(9,10)(13,14)/rA:26NCCCNCCCCCCCCCCCCCNCCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s22s23;s3s19;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-ORRCPRICFMXULV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403657;71713761,O=S(=O)(N1CCCCC1)N1Cc2c(C1)sc(C#Cc1ccccc1)n2,ORRCPRICFMXULV,ORRCPRICFMXULV-UHFFFAOYSA-N,"InChI=1S/C18H19N3O2S2/c22-25(23,20-11-5-2-6-12-20)21-13-16-17(14-21)24-18(19-16)10-9-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,11-14H2","""AuxInfo=1/0/N:22,7,21,23,6,8,20,24,18,17,5,9,11,14,19,12,13,16,25,4,10,1,3,15,2/E:(3,4)(5,6)(7,8)(11,12)(22,23)/CRV:25.6/rA:25OSONCCCCCNCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s7;s4s8;s2;s10;s11;d12;s10s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  6.600;  6.602,6.601,0.001,0.001,2.0,6.601,0.001
-ORRNKQFGZBCSFG_on_Q14416_WT,High,ChEMBL30,CHEMBL594428,CCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2,ORRNKQFGZBCSFG,ORRNKQFGZBCSFG-UHFFFAOYSA-N,"InChI=1S/C19H23ClN6/c1-2-7-26-17-6-4-3-5-16(17)23-18(26)14-24-8-10-25(11-9-24)19-21-12-15(20)13-22-19/h3-6,12-13H,2,7-11,14H2,1H3","""AuxInfo=1/0/N:1,2,25,24,26,23,3,8,19,9,18,13,16,6,14,21,22,5,11,15,12,17,20,7,10,4/E:(8,9)(10,11)(12,13)(21,22)/rA:26CCCNCCNCCNCNCCClCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s14;s11d16;s10;s7s18;d5;s20;s4d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-ORSMXBJUCUYTCT_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702408,COc1cccc(C2=NCC(=O)N3CCc4c(ccc(OC)c4OC)C3=C2)c1,ORSMXBJUCUYTCT,ORSMXBJUCUYTCT-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4/c1-26-15-6-4-5-14(11-15)18-12-19-16-7-8-20(27-2)22(28-3)17(16)9-10-24(19)21(25)13-23-18/h4-8,11-12H,9-10,13H2,1-3H3","""AuxInfo=1/0/N:1,22,25,5,6,4,18,19,15,14,28,27,10,7,3,17,16,8,26,20,11,23,9,13,12,2,21,24/rA:28COCCCCCCNCCONCCCCCCCOCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s20;s21;s16d20;s23;s24;s13s17;s8w?26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-ORVZSVIGLZUOBT_on_Q13224_WT,Medium,ChEMBL30,CHEMBL349709,N=C(NCc1cc(Cl)ccc1)c1c(Cl)cccc1,ORVZSVIGLZUOBT,ORVZSVIGLZUOBT-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2N2/c15-11-5-3-4-10(8-11)9-18-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:17,16,10,11,9,18,15,6,4,5,7,12,13,2,8,14,1,3/rA:18NCNCCCCClCCCCCClCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-ORZBZECEAOIBIX_on_O15399_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_O60391_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_Q05586_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_Q12879_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_Q13224_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-ORZBZECEAOIBIX_on_Q14957_WT,Low,ChEMBL30,CHEMBL81835,Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1,ORZBZECEAOIBIX,ORZBZECEAOIBIX-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,11,13,15,17,9,16,2,12,10,14,3,5,8,6,4,7/E:(6,7,8)(9,10,11)(13,14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s13;s10s14;s8s14;s8s12;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-OSDJPHUOZIHOIN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3759990,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1,OSDJPHUOZIHOIN,OSDJPHUOZIHOIN-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-24-8-7-22-16(24)17(26)23-10-5-6-14(13(21)9-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,4,3,28,10,17,21,26,13,18,6,7,15,19,22,27,5,9,2,14,8,16,20/rA:28CNCCNCCONCCCCNCOCCCOCClCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-OSDJPHUOZIHOIN_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759990,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1,OSDJPHUOZIHOIN,OSDJPHUOZIHOIN-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-24-8-7-22-16(24)17(26)23-10-5-6-14(13(21)9-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-9H,1H3,(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,4,3,28,10,17,21,26,13,18,6,7,15,19,22,27,5,9,2,14,8,16,20/rA:28CNCCNCCONCCCCNCOCCCOCClCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OSEHHMJFQPVLAZ_on_Q14833_WT,High,ChEMBL30,CHEMBL4240046,Cn1nc(C(=O)NC2CC(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,OSEHHMJFQPVLAZ,OSEHHMJFQPVLAZ-UHFFFAOYSA-N,"InChI=1S/C19H18FN7O/c1-27-15-9-11(22-18-17-14(24-25-18)3-2-6-21-17)4-5-13(15)16(26-27)19(28)23-12-7-10(20)8-12/h2-6,9-10,12H,7-8H2,1H3,(H,23,28)(H2,22,24,25)","""AuxInfo=1/1/N:1,22,23,27,28,21,9,12,15,10,16,8,13,24,14,4,19,18,5,11,20,17,7,25,26,3,2,6/E:(7,8)/rA:28CNNCCONCCCFCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s8s10;s4;s2d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s19s23;d24;s18s25;s16;s13d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-OSEQOXSWTTVCRL_on_Q14833_WT,High,ChEMBL30,CHEMBL3609740,N#Cc1c(I)ccc(NC(=O)c2ncccc2)c1,OSEQOXSWTTVCRL,OSEQOXSWTTVCRL-UHFFFAOYSA-N,"InChI=1S/C13H8IN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)","""AuxInfo=1/1/N:16,15,17,7,6,14,18,2,3,8,4,12,10,5,1,13,9,11/rA:18NCCCICCCNCOCNCCCCC/rB:t1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  6.760;  6.770,6.765,0.005,0.005,2.0,6.765,0.005
-OSGBMCPLLCPQHE_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257646,CCN(CC)Cc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,OSGBMCPLLCPQHE,OSGBMCPLLCPQHE-UHFFFAOYSA-N,"InChI=1S/C21H28F3N5O2S/c1-3-28(4-2)11-13-12-29(27-18(13)21(22,23)24)10-9-16(30)26-20-17(19(25)31)14-7-5-6-8-15(14)32-20/h12H,3-11H2,1-2H3,(H2,25,31)(H,26,30)","""AuxInfo=1/1/N:1,5,2,4,24,23,25,22,11,10,6,8,7,20,21,12,16,28,17,15,29,30,31,32,18,14,27,3,9,13,19,26/E:(1,2)(3,4)(22,23,24)/rA:32CCNCCCCCNCCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;s11;d12;s12;s14;d15;s16;s17;d17;s16;d20;s21;s22;s23;s20s24;s15s21;s9;s7d27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-OSGKMKOPXQDIJJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3900569,CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cc2F)CC1(C)C,OSGKMKOPXQDIJJ,OSGKMKOPXQDIJJ-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)8-7-13-5-4-6-15(20)9-13/h4-6,9-11H,12H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,18,19,8,22,12,9,16,20,6,3,23,17,21,7,2,5,4/E:(1,2)/rA:25CNCONCNCCCCCCCCCFCCCFCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s20;s5;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-OSHAOOHCRQUKHX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408413;57388818,O=C1CCCc2c1cnc(Nc1ccc(Cl)cc1)n2,OSHAOOHCRQUKHX,OSHAOOHCRQUKHX-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O/c15-9-4-6-10(7-5-9)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H,16,17,18)","""AuxInfo=1/1/N:4,5,3,14,17,13,18,8,15,12,7,6,2,10,16,9,11,19,1/E:(4,5)(6,7)/rA:19OCCCCCCCNCNCCCCClCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s15;s12d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  6.140;  6.141,6.14,0.001,0.001,2.0,6.14,0.001
-OSHMWXVWQMWSFP_on_P41594_WT,Low,ChEMBL30,CHEMBL3655633,O=C(Nc1cncc(Oc2cncnc2)c1)c1ccc(F)cn1,OSHMWXVWQMWSFP,OSHMWXVWQMWSFP-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-4-10)15(22)21-11-3-12(6-17-5-11)23-13-7-18-9-19-8-13/h1-9H,(H,21,22)","""AuxInfo=1/1/N:19,18,16,22,5,7,11,15,13,20,4,8,10,17,2,21,6,12,14,23,3,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCCCCFCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OSHQANHMWJQRHB_on_O00591_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_O14764_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P14867_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P18505_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P18507_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P28472_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P31644_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P34903_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P47869_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P47870_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P48169_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_P78334_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_Q16445_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSHQANHMWJQRHB_on_Q99928_WT,Low,ChEMBL30,CHEMBL299030,O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2,OSHQANHMWJQRHB,OSHQANHMWJQRHB-UHFFFAOYSA-N,InChI=1S/C15H8BrNO4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17(19)20)5-6-14(12)21-15/h1-8H,"""AuxInfo=1/0/N:6,11,7,10,20,21,15,3,5,8,16,14,2,13,4,9,17,1,18,19,12/E:(1,2)(3,4)(19,20)/CRV:17.5/rA:21OCCCCCCCBrCCOCCCCN+OO-CC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;d17;s17;s16;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-OSJCMUZODXPDSL_on_P41594_WT,High,ChEMBL30,CHEMBL3672898,COc1ccc2CCN(C(=O)c3nn4cc(Br)cnc4c3)CCc2n1,OSJCMUZODXPDSL,OSJCMUZODXPDSL-UHFFFAOYSA-N,"InChI=1S/C17H16BrN5O2/c1-25-16-3-2-11-4-6-22(7-5-13(11)20-16)17(24)14-8-15-19-9-12(18)10-23(15)21-14/h2-3,8-10H,4-7H2,1H3","""AuxInfo=1/0/N:1,5,4,7,23,8,22,21,18,15,6,16,24,12,20,3,10,17,19,25,13,9,14,11,2/rA:25COCCCCCCNCOCNNCCBrCNCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d15;s16;s16;d18;s14s19;s12d20;s9;s22;s6s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-OSJDNYWTKYWUPX_on_P41594_WT,High,ChEMBL30,CHEMBL3603908,N#Cc1ccc(F)c(-c2cc(-n3cccn3)ncn2)c1,OSJDNYWTKYWUPX,OSJDNYWTKYWUPX-UHFFFAOYSA-N,"InChI=1S/C14H8FN5/c15-12-3-2-10(8-16)6-11(12)13-7-14(18-9-17-13)20-5-1-4-19-20/h1-7,9H","""AuxInfo=1/0/N:14,4,5,15,13,20,10,2,18,3,8,6,9,11,7,1,19,17,16,12/rA:20NCCCCCFCCCCNCCCNNCNC/rB:t1;s2;d3;s4;d5;s6;s6;s8;d9;s10;s11;s12;d13;s14;s12d15;d11;s17;s9d18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-OSKUYCXCNARYBR_on_Q14416_WT,High,ChEMBL30,CHEMBL3956434,FC(F)(F)c1c(CN2CCC(c3ccccc3)(C(F)(F)F)CC2)ccn2c(CC3CC3)nnc12,OSKUYCXCNARYBR,OSKUYCXCNARYBR-UHFFFAOYSA-N,"InChI=1S/C24H24F6N4/c25-23(26,27)20-17(8-11-34-19(14-16-6-7-16)31-32-21(20)34)15-33-12-9-22(10-13-33,24(28,29)30)18-4-2-1-3-5-18/h1-5,8,11,16H,6-7,9-10,12-15H2","""AuxInfo=1/0/N:15,14,16,13,17,30,31,24,10,22,25,9,23,28,7,29,6,12,27,5,34,11,2,18,1,3,4,19,20,21,32,33,8,26/E:(2,3)(4,5)(6,7)(9,10)(12,13)(25,26,27)(28,29,30)/rA:34FCFFCCCNCCCCCCCCCCFFFCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;s18;s18;s18;s11;s8s22;s6;d24;s25;s26;s27;s28;s29;s29s30;d27;s32;s5s26d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-OSMYMXKHKOTLKC_on_P14867_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-OSMYMXKHKOTLKC_on_P18507_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273617;CHEMBL1273615;CHEMBL1273620;CHEMBL1273618;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.100;  7.500;  8.400;  5.700;  6.000;  6.340,7.007000000000001,1.044,0.467,6.0,6.92,1.05
-OSMYMXKHKOTLKC_on_P28472_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273618;CHEMBL1273620;CHEMBL1273615;CHEMBL1273616;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.340;  6.000;  5.700;  8.400;  8.100;  7.500,7.007000000000001,1.044,0.467,6.0,6.92,1.05
-OSMYMXKHKOTLKC_on_P31644_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-OSMYMXKHKOTLKC_on_P34903_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-OSMYMXKHKOTLKC_on_P47869_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OSMYMXKHKOTLKC_on_P48169_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OSMYMXKHKOTLKC_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270638,O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,OSMYMXKHKOTLKC,OSMYMXKHKOTLKC-UHFFFAOYSA-N,"InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H","""AuxInfo=1/0/N:21,22,20,23,25,15,19,24,18,13,16,2,4,5,9,6,7,8,10,11,12,14,17,1,3/E:(14,15)(16,17,18,19,20,21)/rA:25OCOCCFFFCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s4;s9;s9;s9;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-OSQMTYJVKFMWBW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3967452,Cc1cncc(C#CC23CC4CC(C2)CC(NC(=O)c2cccc(F)c2)(C4)C3)n1,OSQMTYJVKFMWBW,OSQMTYJVKFMWBW-UHFFFAOYSA-N,"InChI=1S/C24H24FN3O/c1-16-13-26-14-21(27-16)5-6-23-9-17-7-18(10-23)12-24(11-17,15-23)28-22(29)19-3-2-4-20(25)8-19/h2-4,8,13-14,17-18H,7,9-12,15H2,1H3,(H,28,29)","""AuxInfo=1/1/N:1,22,21,23,7,8,12,26,10,14,27,15,3,5,28,2,11,13,20,24,6,18,9,16,25,4,29,17,19/E:(9,10)(11,12)(17,18)/rA:29CCCNCCCCCCCCCCCCNCOCCCCCFCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s10;s11;s12;s9s13;s13;s15;s16;s17;d18;s18;d20;s21;d22;s23;s24;s20d24;s11s16;s9s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-OSQZJSCWIYLIPZ_on_Q14833_WT,High,ChEMBL30,CHEMBL3799281,Nc1c(C(=O)Nc2cc(Cl)c(N3CC(c4cnccc4)CC3=O)cc2)nccc1,OSQZJSCWIYLIPZ,OSQZJSCWIYLIPZ-UHFFFAOYSA-N,"InChI=1S/C21H18ClN5O2/c22-16-10-15(26-21(29)20-17(23)4-2-8-25-20)5-6-18(16)27-12-14(9-19(27)28)13-3-1-7-24-11-13/h1-8,10-11,14H,9,12,23H2,(H,26,29)","""AuxInfo=1/1/N:19,28,20,29,25,24,18,27,21,8,16,13,15,14,7,9,2,11,22,3,4,10,1,17,26,6,12,23,5/rA:29NCCCONCCCClCNCCCCNCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12s21;d22;s11;s7d24;s3;d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  5.600;  8.600,7.1,1.5,1.5,2.0,7.1,1.5
-OSUMKVKUCDSNSW_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL188538;11952168,CCCCCn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2CCC,OSUMKVKUCDSNSW,OSUMKVKUCDSNSW-UHFFFAOYSA-N,"InChI=1S/C27H35N5O2/c1-3-5-6-17-32-18-16-23-24(9-4-2)26(15-14-25(23)32)34-20-8-7-19-33-22-12-10-21(11-13-22)27-28-30-31-29-27/h10-16,18H,3-9,17,19-20H2,1-2H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,34,2,33,3,4,17,16,32,22,29,21,30,11,12,8,5,7,18,15,23,20,9,31,10,13,24,25,28,26,27,6,19,14/E:(10,11)(12,13)(28,29)(30,31)/rA:34CCCCCNCCCCCCCOCCCCOCCCCCNNNNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;s9d13;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  6.220;  6.223,6.221,0.002,0.002,2.0,6.221,0.002
-OSURETQXXCGFSN_on_P41594_WT,Low,ChEMBL30,CHEMBL247548,Cc1c(C)c2c(cc1)C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O,OSURETQXXCGFSN,OSURETQXXCGFSN-UHFFFAOYSA-N,"InChI=1S/C23H18BrN3O3/c1-13-6-8-17-20(14(13)2)23(30)27(22(17)29)12-15-11-16(24)7-9-18(15)26-21(28)19-5-3-4-10-25-19/h3-11H,12H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,4,25,26,24,8,17,7,18,27,14,12,2,3,13,15,6,19,23,5,21,9,29,16,28,20,11,22,10,30/rA:30CCCCCCCCCONCCCCBrCCCNCOCCCCCNCO/rB:s1;d2;s3;s3;d5;s6;s2d7;s6;d9;s9;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s5s11;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OSVKXQGLLABWSK_on_O15399_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_O60391_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSVKXQGLLABWSK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1190897,Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1,OSVKXQGLLABWSK,OSVKXQGLLABWSK-UHFFFAOYSA-N,"InChI=1S/C15H15N5O4/c1-9-7-11(19(21)22)3-5-13(9)17-15(16)18-14-6-4-12(20(23)24)8-10(14)2/h3-8H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,19,16,18,17,24,11,2,9,20,12,3,8,5,6,4,7,21,13,22,23,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(21,22,23,24)/CRV:19.5,20.5/rA:24CCCNCNNCCCCCN+OO-CCCCCN+OO-C/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s20;d21;s21;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-OSWWCYMRVZFEJV_on_P31644_WT,High,ChEMBL30,CHEMBL3675681,Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(C)nnn2-c2ccc(F)cc2)n1,OSWWCYMRVZFEJV,OSWWCYMRVZFEJV-UHFFFAOYSA-N,"InChI=1S/C21H22FN5O2S/c1-13-18(27(26-25-13)17-5-3-15(22)4-6-17)7-8-19-23-14(2)20(30-19)21(28)24-16-9-11-29-12-10-16/h3-8,16H,9-12H2,1-2H3,(H,24,28)","""AuxInfo=1/1/N:19,1,25,28,24,29,16,15,8,12,9,11,18,2,26,7,23,17,14,3,4,27,30,6,20,21,22,5,10,13/E:(3,4)(5,6)(9,10)(11,12)/rA:30CCCCONCCCOCCSCCCCCCNNNCCCCFCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;s13;s14;w?15;s16;d17;s18;s18;d20;s17s21;s22;d23;s24;d25;s26;s26;s23d28;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-OSXOKJIMHUNUJM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113304,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1Cl,OSXOKJIMHUNUJM,OSXOKJIMHUNUJM-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O2/c1-13-8-16(9-14(2)25-13)21-19-6-7-29-17(11-24)12-27(19)22(26-21)15-4-5-20(28-3)18(23)10-15/h4-5,8-10,17H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:13,16,1,5,4,19,20,11,17,27,23,25,12,15,6,10,22,28,18,3,9,7,29,24,14,8,26,2,21/E:(1,2)(8,9)(13,14)/rA:29COCCCCCNCCCCCNCCCCCCOCCFCNCCCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s23;s22;s7s18s25;s6;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-OTBGSMLTKVRBTA_on_O15399_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_O60391_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBGSMLTKVRBTA_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194170,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2,OTBGSMLTKVRBTA,OTBGSMLTKVRBTA-UHFFFAOYSA-N,"InChI=1S/C21H19F2NO2/c22-17-5-1-15(2-6-17)13-24-11-9-21(10-12-24)20(25)19(14-26-21)16-3-7-18(23)8-4-16/h1-8,14H,9-13H2","""AuxInfo=1/0/N:19,24,5,10,20,23,6,9,14,26,15,25,17,11,18,4,21,7,3,2,13,22,8,16,1,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCCCCCFCCCOCCCNCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-OTBSGUYCPXCRBE_on_P41594_WT,High,ChEMBL30,CHEMBL1682815,O=C1CCOc2c1ccc(OCc1cc(Cl)ccc1)c2,OTBSGUYCPXCRBE,OTBSGUYCPXCRBE-UHFFFAOYSA-N,"InChI=1S/C16H13ClO3/c17-12-3-1-2-11(8-12)10-20-13-4-5-14-15(18)6-7-19-16(14)9-13/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:18,19,17,9,8,3,4,14,20,12,13,15,10,7,2,6,16,1,5,11/rA:20OCCCOCCCCCOCCCCClCCCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.680;  6.680,6.68,0.0,0.0,2.0,6.68,0.0
-OTCIZTDNRWBZJS_on_P41594_WT,High,ChEMBL30,CHEMBL3597603,Cc1cc([N+](=O)[O-])c(N2CCCC(=CC#Cc3cccc(C)n3)C2)nc1,OTCIZTDNRWBZJS,OTCIZTDNRWBZJS-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3","""AuxInfo=1/0/N:1,22,19,15,11,20,14,12,18,16,10,3,26,24,2,21,13,17,4,8,25,23,9,5,6,7/E:(25,26)/CRV:24.5/rA:26CCCCN+OO-CNCCCCCCCCCCCCCNCNC/rB:s1;d2;s3;s4;d5;s5;d4;s8;s9;s10;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s9s13;s8;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  7.380;  7.040,7.21,0.17,0.17,2.0,7.21,0.17
-OTEXRUHLALHTBR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114409,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1,OTEXRUHLALHTBR,OTEXRUHLALHTBR-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(3-4-19(13)31-22(24,25)26)21-28-20(15-5-7-27-14(2)10-15)18-6-8-30-17(11-23)12-29(18)21/h3-5,7,9-10,17H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:26,1,17,18,29,7,30,8,27,3,11,13,25,2,4,16,10,6,19,5,15,21,12,22,23,24,31,28,14,9,20/E:(24,25,26)/rA:31CCCCCCCCOCCFCNCCCCCOCFFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-OTIJUXUOELPODB_on_P41594_WT,High,ChEMBL30,CHEMBL271065,Cc1cn2cc(-c3nc(C)no3)cc2c(C#Cc2ccccc2)n1,OTIJUXUOELPODB,OTIJUXUOELPODB-UHFFFAOYSA-N,"InChI=1S/C19H14N4O/c1-13-11-23-12-16(19-21-14(2)22-24-19)10-18(23)17(20-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3","""AuxInfo=1/0/N:1,10,21,20,22,19,23,17,16,13,3,5,2,9,18,6,15,14,7,24,8,11,4,12/E:(4,5)(6,7)/rA:24CCCNCCCNCCNOCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d9;s7s11;s6;s4d13;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s2d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-OTLXXQSUWZUJET_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107211,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1C,OTLXXQSUWZUJET,OTLXXQSUWZUJET-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-13-5-6-16(11-20(13)29-4)23-27-21(19-7-8-30-15(3)12-28(19)23)17-9-14(2)26-18(10-17)22(24)25/h5-6,9-11,15,22H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:30,12,24,1,28,27,20,21,10,18,4,25,29,11,23,5,9,14,19,3,8,15,6,16,17,13,7,26,2,22/E:(24,25)/rA:30COCCCCNCCCCCNCCFFCCCCOCCCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s23;s6s19s25;d5;s27;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-OTMHIGVBPHYWRD_on_Q14833_WT,High,ChEMBL30,CHEMBL1209660,Nc1nccc(C=Cc2cccc(F)c2)n1,OTMHIGVBPHYWRD,OTMHIGVBPHYWRD-UHFFFAOYSA-N,"InChI=1S/C12H10FN3/c13-10-3-1-2-9(8-10)4-5-11-6-7-15-12(14)16-11/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:11,10,12,8,7,5,4,15,9,13,6,2,14,1,3,16/rA:16NCNCCCCCCCCCCFCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s13;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-OTNDMNJNGWSWHX_on_O15399_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_O60391_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_Q05586_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_Q12879_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_Q13224_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTNDMNJNGWSWHX_on_Q14957_WT,Low,ChEMBL30,CHEMBL354066,Nc1cnc(N2CCc3c(cccc3)C2)cc1,OTNDMNJNGWSWHX,OTNDMNJNGWSWHX-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-5-6-14(16-9-13)17-8-7-11-3-1-2-4-12(11)10-17/h1-6,9H,7-8,10,15H2","""AuxInfo=1/0/N:13,12,14,11,17,16,8,7,3,15,9,10,2,5,1,4,6/rA:17NCCNCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OTOFLRVSTDGXCY_on_P14867_WT,Low,ChEMBL30,CHEMBL307473,CC1(C)CC(=O)c2csc(-c3n[nH]cc3)c2C1,OTOFLRVSTDGXCY,OTOFLRVSTDGXCY-UHFFFAOYSA-N,"InChI=1S/C13H14N2OS/c1-13(2)5-8-9(11(16)6-13)7-17-12(8)10-3-4-14-15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)","""AuxInfo=1/1/N:1,3,15,14,17,4,8,16,7,11,5,10,2,13,12,6,9/E:(1,2)/rA:17CCCCCOCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;s13;s11d14;s7d10;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-OTOFLRVSTDGXCY_on_P31644_WT,Low,ChEMBL30,CHEMBL307473,CC1(C)CC(=O)c2csc(-c3n[nH]cc3)c2C1,OTOFLRVSTDGXCY,OTOFLRVSTDGXCY-UHFFFAOYSA-N,"InChI=1S/C13H14N2OS/c1-13(2)5-8-9(11(16)6-13)7-17-12(8)10-3-4-14-15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)","""AuxInfo=1/1/N:1,3,15,14,17,4,8,16,7,11,5,10,2,13,12,6,9/E:(1,2)/rA:17CCCCCOCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;s13;s11d14;s7d10;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-OTOFLRVSTDGXCY_on_P34903_WT,Low,ChEMBL30,CHEMBL307473,CC1(C)CC(=O)c2csc(-c3n[nH]cc3)c2C1,OTOFLRVSTDGXCY,OTOFLRVSTDGXCY-UHFFFAOYSA-N,"InChI=1S/C13H14N2OS/c1-13(2)5-8-9(11(16)6-13)7-17-12(8)10-3-4-14-15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)","""AuxInfo=1/1/N:1,3,15,14,17,4,8,16,7,11,5,10,2,13,12,6,9/E:(1,2)/rA:17CCCCCOCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;s13;s11d14;s7d10;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-OTOFLRVSTDGXCY_on_P47869_WT,Low,ChEMBL30,CHEMBL307473,CC1(C)CC(=O)c2csc(-c3n[nH]cc3)c2C1,OTOFLRVSTDGXCY,OTOFLRVSTDGXCY-UHFFFAOYSA-N,"InChI=1S/C13H14N2OS/c1-13(2)5-8-9(11(16)6-13)7-17-12(8)10-3-4-14-15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)","""AuxInfo=1/1/N:1,3,15,14,17,4,8,16,7,11,5,10,2,13,12,6,9/E:(1,2)/rA:17CCCCCOCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;d11;s12;s13;s11d14;s7d10;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-OTOIXBNUSIIMPD_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209745,Nc1nccc(C=Cc2ccncc2)n1,OTOIXBNUSIIMPD,OTOIXBNUSIIMPD-UHFFFAOYSA-N,"InChI=1S/C11H10N4/c12-11-14-8-5-10(15-11)2-1-9-3-6-13-7-4-9/h1-8H,(H2,12,14,15)","""AuxInfo=1/1/N:8,7,10,14,5,11,13,4,9,6,2,1,12,3,15/E:(3,4)(6,7)/rA:15NCNCCCCCCCCNCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OTQXKRRISJPTFS_on_O00591_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_O14764_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P14867_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P18505_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P18507_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P28472_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P31644_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P34903_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P47869_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P47870_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P48169_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_P78334_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_Q16445_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTQXKRRISJPTFS_on_Q99928_WT,Low,ChEMBL30,CHEMBL9689,CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2,OTQXKRRISJPTFS,OTQXKRRISJPTFS-UHFFFAOYSA-N,"InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,12,11,13,19,18,22,5,20,16,9,14,17,3,8,7,21,10,15,6,2,4/E:(3,4)(11,12)(18,19)/rA:22CNCOCNCCCClCCCCClCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s9;d11;s12;s8d13;s14;s7;s2d16;s17;d18;s19;s20;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-OTTSZTXIWXPOIL_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,46225584;CHEMBL593056;CHEMBL593056,Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2c1cccc2,OTTSZTXIWXPOIL,OTTSZTXIWXPOIL-UHFFFAOYSA-N,"InChI=1S/C20H20ClF3N4/c1-27-17-5-3-2-4-16(17)26-18(27)12-28-8-6-13(7-9-28)19-15(21)10-14(11-25-19)20(22,23)24/h2-5,10-11,13H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,27,26,28,25,7,20,6,21,17,11,4,8,12,18,23,24,3,9,13,19,14,15,16,10,22,2,5/E:(6,7)(8,9)(22,23,24)/rA:28CNCCNCCCCNCCCFFFCCClCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;s18;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:453995;CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PubChemAID:453995;PMID:20005096;PMID:20005096,2010,0,0;1;1,0,0,1;0;0,,=,  7.400;  7.400;  6.200,7.0,0.5660000000000001,0.4,3.0,7.4,0.0
-OTWGFFXBGMUFBP_on_P14867_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-OTWGFFXBGMUFBP_on_P18507_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273619;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.440;  8.700;  7.350;  7.120;  5.300,7.382000000000001,1.205,0.603,5.0,7.35,1.09
-OTWGFFXBGMUFBP_on_P28472_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273619;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.440;  8.700;  7.350;  7.120;  5.300,7.382000000000001,1.205,0.603,5.0,7.35,1.09
-OTWGFFXBGMUFBP_on_P31644_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-OTWGFFXBGMUFBP_on_P34903_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-OTWGFFXBGMUFBP_on_P47869_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-OTWGFFXBGMUFBP_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270443,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1,OTWGFFXBGMUFBP,OTWGFFXBGMUFBP-UHFFFAOYSA-N,"InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3","""AuxInfo=1/0/N:1,3,4,20,19,21,18,22,23,24,15,26,10,17,16,14,25,13,8,11,6,2,9,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:26CCCCOCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s17d21;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-OTYYOKVURDHMBC_on_P41594_WT,High,ChEMBL30,CHEMBL404237,Cc1cn2cc(C#N)cc2c(C#Cc2ccccc2)n1,OTYYOKVURDHMBC,OTYYOKVURDHMBC-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-13-11-20-12-15(10-18)9-17(20)16(19-13)8-7-14-5-3-2-4-6-14/h2-6,9,11-12H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,9,7,3,5,2,14,6,11,10,8,20,4/E:(3,4)(5,6)/rA:20CCCNCCCNCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;t7;s6;s4d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  8.900,8.9,0.0,0.0,1.0,8.9,0.0
-OUAHYBNQWBFDPH_on_P14867_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.350;  4.820,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P18505_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.820;  5.350,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P28472_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.350;  4.820,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P31644_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.820;  5.350,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P34903_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.350;  4.820,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P47869_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.350;  4.820,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P47870_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.820;  5.350,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_P48169_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL2169251;CHEMBL2169248,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  5.350;  4.820,5.085,0.265,0.265,2.0,5.085,0.265
-OUAHYBNQWBFDPH_on_Q16445_WT,Low,ChEMBL30,CHEMBL2165414,CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1,OUAHYBNQWBFDPH,OUAHYBNQWBFDPH-UHFFFAOYSA-N,"InChI=1S/C17H26N2O/c1-11(2)14-9-13(7-6-8-17(5)18-19-17)10-15(12(3)4)16(14)20/h9-12,20H,6-8H2,1-5H3","""AuxInfo=1/0/N:1,3,9,10,17,14,13,15,20,11,2,8,12,4,7,5,16,18,19,6/E:(1,2,3,4)(9,10)(11,12)(14,15)(18,19)/rA:20CCCCCOCCCCCCCCCCCNNC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s13;s14;s15;s16;s16;s16w?18;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL2169248;CHEMBL2169251,PMID:22029276,2011.0,PMID:22029276,2011,0,1,0,0,0,,=,  4.820;  5.350,5.085,0.265,0.265,2.0,5.085,0.265
-OUDHLZMJARLHAV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3924035,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C(C)(C)C,OUDHLZMJARLHAV,OUDHLZMJARLHAV-UHFFFAOYSA-N,"InChI=1S/C21H23N3O/c1-21(2,3)18-15-24(20(25)23(18)4)19-13-12-17(14-22-19)11-10-16-8-6-5-7-9-16/h5-9,12-14,18H,15H2,1-4H3","""AuxInfo=1/0/N:23,24,25,1,15,14,16,13,17,11,10,8,7,18,20,12,9,21,6,3,22,19,2,5,4/E:(1,2,3)(6,7)(8,9)/rA:25CNCONCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-OUENRUZPZZFMCA_on_P14867_WT,Low,ChEMBL30,CHEMBL1788265,O=C(O)CC1CCNC1,OUENRUZPZZFMCA,OUENRUZPZZFMCA-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:6,7,4,9,5,2,8,1,3/E:(8,9)/rA:9OCOCCCCNC/rB:d1;s2;s2;s4;s5;s6;s7;s5s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4398029,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.920;  4.920,4.92,0.0,0.0,2.0,4.92,0.0
-OUENRUZPZZFMCA_on_P18507_WT,Low,ChEMBL30,CHEMBL349005;CHEMBL1788265;CHEMBL349005;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265,O=C(O)CC1CCNC1,OUENRUZPZZFMCA,OUENRUZPZZFMCA-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:6,7,4,9,5,2,8,1,3/E:(8,9)/rA:9OCOCCCCNC/rB:d1;s2;s2;s4;s5;s6;s7;s5s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4398035;CHEMBL4398035;CHEMBL4398035;CHEMBL4398035;CHEMBL4398033;CHEMBL4398033;CHEMBL4398029;CHEMBL4398029,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.620;  6.020;  4.620;  6.030;  5.090;  5.090;  4.920;  4.920,5.164,0.525,0.198,8.0,5.005,0.235
-OUENRUZPZZFMCA_on_P31644_WT,Low,ChEMBL30,CHEMBL349005;CHEMBL349005;CHEMBL1788265;CHEMBL1788265,O=C(O)CC1CCNC1,OUENRUZPZZFMCA,OUENRUZPZZFMCA-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:6,7,4,9,5,2,8,1,3/E:(8,9)/rA:9OCOCCCCNC/rB:d1;s2;s2;s4;s5;s6;s7;s5s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.620;  4.620;  6.020;  6.030,5.322,0.703,0.406,4.0,5.32,0.7
-OUENRUZPZZFMCA_on_P47870_WT,Low,ChEMBL30,CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL1788265;CHEMBL349005;CHEMBL349005,O=C(O)CC1CCNC1,OUENRUZPZZFMCA,OUENRUZPZZFMCA-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:6,7,4,9,5,2,8,1,3/E:(8,9)/rA:9OCOCCCCNC/rB:d1;s2;s2;s4;s5;s6;s7;s5s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4398029;CHEMBL4398029;CHEMBL4398033;CHEMBL4398033;CHEMBL4398035;CHEMBL4398035;CHEMBL4398035;CHEMBL4398035,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.920;  4.920;  5.090;  5.090;  6.030;  6.020;  4.620;  4.620,5.164,0.525,0.198,8.0,5.005,0.235
-OUENRUZPZZFMCA_on_P48169_WT,Low,ChEMBL30,CHEMBL1788265,O=C(O)CC1CCNC1,OUENRUZPZZFMCA,OUENRUZPZZFMCA-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:6,7,4,9,5,2,8,1,3/E:(8,9)/rA:9OCOCCCCNC/rB:d1;s2;s2;s4;s5;s6;s7;s5s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4398033,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  5.090;  5.090,5.09,0.0,0.0,2.0,5.09,0.0
-OUMPJKLCJUSVBG_on_P41594_WT,Low,ChEMBL30,CHEMBL1784059,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccccc2)c1=O,OUMPJKLCJUSVBG,OUMPJKLCJUSVBG-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-11(2)8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-3-5-7-12/h3-7,9-10H,1,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,3,21,20,22,19,23,4,10,16,2,18,7,14,13,6,8,24,5,11,9,15,17,25,12/E:(4,5)(6,7)/rA:25CCCCNCCCNCNSCCNCNCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-OUMPJKLCJUSVBG_on_Q13255_WT,High,ChEMBL30,CHEMBL1784059,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccccc2)c1=O,OUMPJKLCJUSVBG,OUMPJKLCJUSVBG-UHFFFAOYSA-N,"InChI=1S/C18H15N5OS/c1-11(2)8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-3-5-7-12/h3-7,9-10H,1,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,3,21,20,22,19,23,4,10,16,2,18,7,14,13,6,8,24,5,11,9,15,17,25,12/E:(4,5)(6,7)/rA:25CCCCNCCCNCNSCCNCNCCCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-OUMVVUWFGSSWSV_on_P14867_WT,Low,ChEMBL30,CHEMBL85716,CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1,OUMVVUWFGSSWSV,OUMVVUWFGSSWSV-UHFFFAOYSA-N,"InChI=1S/C25H34N2O3/c1-5-8-9-10-11-12-15-30-18-13-14-21-20(16-18)23-19(6-2)24(25(28)29-7-3)26-17-22(23)27(21)4/h13-14,16-17H,5-12,15H2,1-4H3","""AuxInfo=1/0/N:1,22,28,17,2,21,27,3,4,5,6,7,15,14,8,11,30,10,20,12,13,18,19,23,24,29,16,25,26,9/rA:30CCCCCCCCOCCCCCCNCCCCCCCCOOCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s16;s12d18;s19;s20;s21;d20;s23;d24;s24;s26;s27;s23;s18d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OUMVVUWFGSSWSV_on_P31644_WT,Low,ChEMBL30,CHEMBL85716,CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1,OUMVVUWFGSSWSV,OUMVVUWFGSSWSV-UHFFFAOYSA-N,"InChI=1S/C25H34N2O3/c1-5-8-9-10-11-12-15-30-18-13-14-21-20(16-18)23-19(6-2)24(25(28)29-7-3)26-17-22(23)27(21)4/h13-14,16-17H,5-12,15H2,1-4H3","""AuxInfo=1/0/N:1,22,28,17,2,21,27,3,4,5,6,7,15,14,8,11,30,10,20,12,13,18,19,23,24,29,16,25,26,9/rA:30CCCCCCCCOCCCCCCNCCCCCCCCOOCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s16;s12d18;s19;s20;s21;d20;s23;d24;s24;s26;s27;s23;s18d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OUMVVUWFGSSWSV_on_P34903_WT,Low,ChEMBL30,CHEMBL85716,CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1,OUMVVUWFGSSWSV,OUMVVUWFGSSWSV-UHFFFAOYSA-N,"InChI=1S/C25H34N2O3/c1-5-8-9-10-11-12-15-30-18-13-14-21-20(16-18)23-19(6-2)24(25(28)29-7-3)26-17-22(23)27(21)4/h13-14,16-17H,5-12,15H2,1-4H3","""AuxInfo=1/0/N:1,22,28,17,2,21,27,3,4,5,6,7,15,14,8,11,30,10,20,12,13,18,19,23,24,29,16,25,26,9/rA:30CCCCCCCCOCCCCCCNCCCCCCCCOOCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s16;s12d18;s19;s20;s21;d20;s23;d24;s24;s26;s27;s23;s18d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OUMVVUWFGSSWSV_on_P47869_WT,Low,ChEMBL30,CHEMBL85716,CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1,OUMVVUWFGSSWSV,OUMVVUWFGSSWSV-UHFFFAOYSA-N,"InChI=1S/C25H34N2O3/c1-5-8-9-10-11-12-15-30-18-13-14-21-20(16-18)23-19(6-2)24(25(28)29-7-3)26-17-22(23)27(21)4/h13-14,16-17H,5-12,15H2,1-4H3","""AuxInfo=1/0/N:1,22,28,17,2,21,27,3,4,5,6,7,15,14,8,11,30,10,20,12,13,18,19,23,24,29,16,25,26,9/rA:30CCCCCCCCOCCCCCCNCCCCCCCCOOCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s16;s12d18;s19;s20;s21;d20;s23;d24;s24;s26;s27;s23;s18d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OUMVVUWFGSSWSV_on_Q16445_WT,Low,ChEMBL30,CHEMBL85716,CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1,OUMVVUWFGSSWSV,OUMVVUWFGSSWSV-UHFFFAOYSA-N,"InChI=1S/C25H34N2O3/c1-5-8-9-10-11-12-15-30-18-13-14-21-20(16-18)23-19(6-2)24(25(28)29-7-3)26-17-22(23)27(21)4/h13-14,16-17H,5-12,15H2,1-4H3","""AuxInfo=1/0/N:1,22,28,17,2,21,27,3,4,5,6,7,15,14,8,11,30,10,20,12,13,18,19,23,24,29,16,25,26,9/rA:30CCCCCCCCOCCCCCCNCCCCCCCCOOCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s16;s12d18;s19;s20;s21;d20;s23;d24;s24;s26;s27;s23;s18d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OUPFXLMHHSZWST_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1095750;44155423,CCCCCCC1CN(c2ccc(OC)cc2)C(=O)O1,OUPFXLMHHSZWST,OUPFXLMHHSZWST-UHFFFAOYSA-N,"InChI=1S/C16H23NO3/c1-3-4-5-6-7-15-12-17(16(18)20-15)13-8-10-14(19-2)11-9-13/h8-11,15H,3-7,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,3,4,5,6,11,17,12,16,8,10,13,7,18,9,19,14,20/E:(8,9)(10,11)/rA:20CCCCCCCCNCCCCOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s13;s10d16;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  5.930;  5.932,5.931,0.001,0.001,2.0,5.931,0.001
-OUPZCGOUCCZYSN_on_O00591_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_O14764_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P14867_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P18505_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P18507_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P28472_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P31644_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P34903_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P47869_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P47870_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P48169_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_P78334_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_Q16445_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUPZCGOUCCZYSN_on_Q99928_WT,Low,ChEMBL30,CHEMBL66841,CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1,OUPZCGOUCCZYSN,OUPZCGOUCCZYSN-UHFFFAOYSA-N,"InChI=1S/C15H12N2O3/c1-2-20-15(19)12-7-11-9-5-3-4-6-10(9)14(18)17-13(11)8-16-12/h3-8H,2H2,1H3,(H,17,18)","""AuxInfo=1/1/N:1,2,16,17,15,18,20,8,14,13,19,6,9,11,4,7,10,12,5,3/rA:20CCOCOCNCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s11;d13;s14;d15;s16;s13d17;s9s14;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-OUQOELSQUKETGS_on_P14867_WT,Low,ChEMBL30,CHEMBL182529,C=CCc1cccc(-c2c(O)c(CC=C)ccc2)c1O,OUQOELSQUKETGS,OUQOELSQUKETGS-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-7-13-9-5-11-15(17(13)19)16-12-6-10-14(8-4-2)18(16)20/h3-6,9-12,19-20H,1-2,7-8H2","""AuxInfo=1/0/N:1,15,2,14,6,17,3,13,5,16,7,18,4,12,8,9,19,10,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCCCCCCOCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s10;s12;s13;d14;d12;s16;s9d17;s4d8;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.450,4.45,0.0,0.0,1.0,4.45,0.0
-OUQOELSQUKETGS_on_P47870_WT,Low,ChEMBL30,CHEMBL182529,C=CCc1cccc(-c2c(O)c(CC=C)ccc2)c1O,OUQOELSQUKETGS,OUQOELSQUKETGS-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-7-13-9-5-11-15(17(13)19)16-12-6-10-14(8-4-2)18(16)20/h3-6,9-12,19-20H,1-2,7-8H2","""AuxInfo=1/0/N:1,15,2,14,6,17,3,13,5,16,7,18,4,12,8,9,19,10,20,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCCCCCCOCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s10;s12;s13;d14;d12;s16;s9d17;s4d8;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.450,4.45,0.0,0.0,1.0,4.45,0.0
-OUSQSVNCEDHXMJ_on_O15399_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_O60391_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUSQSVNCEDHXMJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL69219,O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,OUSQSVNCEDHXMJ,OUSQSVNCEDHXMJ-UHFFFAOYSA-N,"InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2","""AuxInfo=1/0/N:20,19,21,18,22,5,10,6,9,14,23,13,24,16,3,11,17,4,15,7,2,12,8,1/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCCCCCOCCCNCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-OUXLOGALIIPJOL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3928093,CC1(C)CC(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)C1,OUXLOGALIIPJOL,OUXLOGALIIPJOL-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O/c1-18(2)8-17(23)22(12-18)16-6-5-13(10-21-16)3-4-14-7-15(19)11-20-9-14/h5-7,9-11H,8,12H2,1-2H3","""AuxInfo=1/0/N:1,3,12,13,10,9,20,4,15,21,17,23,11,14,18,8,5,2,19,16,22,7,6/E:(1,2)/rA:23CCCCCONCCCCCCCCNCCClCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-OUYHNXKLIHUODF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL184995;44392990,Cc1nc(C#Cc2cnc(-c3ccccc3)cc2)cs1,OUYHNXKLIHUODF,OUYHNXKLIHUODF-UHFFFAOYSA-N,"InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,6,18,5,17,8,19,2,7,11,4,10,9,3,20/E:(3,4)(5,6)/rA:20CCNCCCCCNCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431;PubChemAID:242195,PMID:15225713,2004.0,PMID:15225713;PubChemAID:242195,2004;2010,1;0,0,0,0,0;1,,=,  9.300;  9.301,9.3,0.001,0.001,2.0,9.3,0.0
-OUZVGUUGYNPMTH_on_P41594_WT,High,ChEMBL30,CHEMBL2403592,O=C(c1cccc(C(F)(F)F)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,OUZVGUUGYNPMTH,OUZVGUUGYNPMTH-UHFFFAOYSA-N,"InChI=1S/C22H15F3N2OS/c23-22(24,25)17-8-4-7-16(13-17)21(28)27-12-11-18-19(14-27)29-20(26-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2","""AuxInfo=1/0/N:26,25,27,5,24,28,4,6,22,21,15,14,12,18,23,3,7,16,17,20,2,8,9,10,11,29,13,1,19/E:(2,3)(5,6)(23,24,25)/rA:29OCCCCCCCFFFCNCCCCCSCCCCCCCCCN/rB:d1;s2;d3;s4;d5;s6;s7;s8;s8;s8;s3d7;s2;s13;s14;s15;d16;s13s17;s17;s19;s20;t21;s22;d23;s24;d25;s26;s23d27;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-OVAPGDJHRSUSMH_on_P41594_WT,Low,ChEMBL30,CHEMBL3655624,O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(F)ccc1,OVAPGDJHRSUSMH,OVAPGDJHRSUSMH-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-14-3-1-2-13(21-14)15(22)20-10-4-11(6-17-5-10)23-12-7-18-9-19-8-12/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,16,5,7,11,15,13,4,8,10,17,19,2,20,6,12,14,3,18,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCNCFCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OVFADTJTEQNGRZ_on_O15399_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OVFADTJTEQNGRZ_on_O60391_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OVFADTJTEQNGRZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OVFADTJTEQNGRZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270;  7.820,7.545,0.275,0.275,2.0,7.545,0.275
-OVFADTJTEQNGRZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OVFADTJTEQNGRZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270;  7.820,7.545,0.275,0.275,2.0,7.545,0.275
-OVFADTJTEQNGRZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL185812,Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1,OVFADTJTEQNGRZ,OVFADTJTEQNGRZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)","""AuxInfo=1/1/N:1,3,29,4,28,21,20,8,27,9,26,6,17,25,2,5,7,18,16,19,23,13,11,15,22,10,24,14,12/E:(2,3)(4,5)(8,9)(10,11)/rA:29CCCCCCCCCNCOCONCCCCCCNCOCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s13;s15;d16;s17;d18;s19;s16d20;s19;s22;d23;s18s23;s10;s7s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-OVFRNPXWYQUNHR_on_P14867_WT,Low,ChEMBL30,CHEMBL458147,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OC(C)(C)C)c12,OVFRNPXWYQUNHR,OVFRNPXWYQUNHR-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3","""AuxInfo=1/0/N:20,21,22,1,8,7,11,13,9,5,6,15,23,3,16,19,10,14,2,12,4,17,18/E:(1,2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s19;s19;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-OVFRNPXWYQUNHR_on_P18507_WT,Low,ChEMBL30,CHEMBL458147,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OC(C)(C)C)c12,OVFRNPXWYQUNHR,OVFRNPXWYQUNHR-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3","""AuxInfo=1/0/N:20,21,22,1,8,7,11,13,9,5,6,15,23,3,16,19,10,14,2,12,4,17,18/E:(1,2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s19;s19;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-OVFRNPXWYQUNHR_on_P28472_WT,Low,ChEMBL30,CHEMBL458147,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OC(C)(C)C)c12,OVFRNPXWYQUNHR,OVFRNPXWYQUNHR-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3","""AuxInfo=1/0/N:20,21,22,1,8,7,11,13,9,5,6,15,23,3,16,19,10,14,2,12,4,17,18/E:(1,2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s19;s19;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-OVFRNPXWYQUNHR_on_P31644_WT,Medium,ChEMBL30,CHEMBL458147,Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OC(C)(C)C)c12,OVFRNPXWYQUNHR,OVFRNPXWYQUNHR-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3","""AuxInfo=1/0/N:20,21,22,1,8,7,11,13,9,5,6,15,23,3,16,19,10,14,2,12,4,17,18/E:(1,2,3)/rA:23CNCOCCCCCClCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s5d9;s6;s12;d13;s14;s15;d16;s16;s18;s19;s19;s19;s2s12d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-OVGJUGVYKJRAOU_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163541,O=C(O)c1c(CN2CC(=O)N(c3ccccc3)C2=S)c2c(cc(Cl)cc2Cl)[nH]1,OVGJUGVYKJRAOU,OVGJUGVYKJRAOU-UHFFFAOYSA-N,"InChI=1S/C19H13Cl2N3O3S/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h1-7,22H,8-9H2,(H,26,27)","""AuxInfo=1/1/N:15,14,16,13,17,25,22,6,8,23,12,5,26,21,9,20,4,2,18,24,27,28,7,11,10,1,3,19/E:(2,3)(4,5)(26,27)/rA:28OCOCCCNCCONCCCCCCCSCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s7s11;d18;s5;d20;s21;d22;s23;s23;s20d25;s26;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-OVHBEKVNHLICMZ_on_Q14416_WT,High,ChEMBL30,CHEMBL2179321,CCCCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12,OVHBEKVNHLICMZ,OVHBEKVNHLICMZ-UHFFFAOYSA-N,"InChI=1S/C22H25F3N4/c1-2-3-9-19-26-27-21-20(22(23,24)25)18(12-15-29(19)21)28-13-10-17(11-14-28)16-7-5-4-6-8-16/h4-8,12,15,17H,2-3,9-11,13-14H2,1H3","""AuxInfo=1/0/N:1,2,3,22,21,23,20,24,4,17,25,27,16,26,28,19,18,14,5,9,8,10,11,12,13,6,7,15,29/E:(5,6)(7,8)(10,11)(13,14)(23,24,25)/rA:29CCCCCNNCCCFFFCNCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s10;s10;d9;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s15s25;s14;d27;s5s8s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-OVLFPONZEJZITI_on_P41594_WT,High,ChEMBL30,CHEMBL2011874,COc1c(F)cc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,OVLFPONZEJZITI,OVLFPONZEJZITI-UHFFFAOYSA-N,"InChI=1S/C16H17FN2O2S/c1-8-6-11(8)15(20)18-16-9(2)14(19-22-16)10-4-5-13(21-3)12(17)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,18,20)","""AuxInfo=1/1/N:18,20,1,21,22,16,6,17,19,7,15,4,3,8,13,11,5,12,9,14,2,10/rA:22COCCFCCCNSCNCOCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s15s16;s17;s8d11;s19;s7;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-OVLFPONZEJZITI_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2011874;67182345,COc1c(F)cc(-c2nsc(NC(=O)C3CC3C)c2C)cc1,OVLFPONZEJZITI,OVLFPONZEJZITI-UHFFFAOYSA-N,"InChI=1S/C16H17FN2O2S/c1-8-6-11(8)15(20)18-16-9(2)14(19-22-16)10-4-5-13(21-3)12(17)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,18,20)","""AuxInfo=1/1/N:18,20,1,21,22,16,6,17,19,7,15,4,3,8,13,11,5,12,9,14,2,10/rA:22COCCFCCCNSCNCOCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;s11;s12;d13;s13;s15;s15s16;s17;s8d11;s19;s7;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180;PubChemAID:652689,PMID:22386665,2012.0,PMID:22386665;PubChemAID:652689,2012;2013,1;0,0,0,0,0;1,,=,  8.150;  8.155,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-OVNPZKKOYABVCD_on_Q14833_WT,High,ChEMBL30,CHEMBL3797390,Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccn4)C3=O)cc2)nccc1,OVNPZKKOYABVCD,OVNPZKKOYABVCD-UHFFFAOYSA-N,"InChI=1S/C19H14ClN5O2/c20-13-9-11(24-18(26)17-14(21)4-2-8-23-17)5-6-16(13)25-10-15-12(19(25)27)3-1-7-22-15/h1-9H,10,21H2,(H,24,26)","""AuxInfo=1/1/N:17,26,16,27,23,22,18,25,8,13,7,15,9,2,14,11,3,4,20,10,1,19,24,6,12,5,21/rA:27NCCCONCCCClCNCCCCCCNCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  5.900;  8.900,7.4,1.5,1.5,2.0,7.4,1.5
-OVQNSGBYKOJYBK_on_O15399_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_O60391_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_Q05586_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_Q12879_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_Q13224_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVQNSGBYKOJYBK_on_Q14957_WT,Low,ChEMBL30,CHEMBL132442,CCC12CC3CC(CC(N)(C3)C1)C2,OVQNSGBYKOJYBK,OVQNSGBYKOJYBK-UHFFFAOYSA-N,"InChI=1S/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3","""AuxInfo=1/0/N:1,2,6,4,13,11,8,12,5,7,3,9,10/E:(4,5)(6,7)(9,10)/rA:13CCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-OVRRCNHFXZAIAQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3905977,O=C1CC2(CCCC2)CN1c1ncc(C#Cc2ccccc2)cn1,OVRRCNHFXZAIAQ,OVRRCNHFXZAIAQ-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c24-18-12-20(10-4-5-11-20)15-23(18)19-21-13-17(14-22-19)9-8-16-6-2-1-3-7-16/h1-3,6-7,13-14H,4-5,10-12,15H2","""AuxInfo=1/0/N:20,19,21,6,7,18,22,16,15,5,8,3,13,23,9,17,14,2,11,4,12,24,10,1/E:(2,3)(4,5)(6,7)(10,11)(13,14)(21,22)/rA:24OCCCCCCCCNCNCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s4;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-OVURPMRKVYGKGC_on_P41594_WT,High,ChEMBL30,CHEMBL456196,Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1F,OVURPMRKVYGKGC,OVURPMRKVYGKGC-UHFFFAOYSA-N,"InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,21,20,5,15,22,6,14,11,2,4,19,3,24,8,25,23,16,17,7,18,9,10/E:(1,2)/rA:25CCCCCCNCOOCCCCCNNNCCCCNCF/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s11;s11;s7;s4s14;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-OVURPMRKVYGKGC_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL456196;11695894,Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1F,OVURPMRKVYGKGC,OVURPMRKVYGKGC-UHFFFAOYSA-N,"InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,21,20,5,15,22,6,14,11,2,4,19,3,24,8,25,23,16,17,7,18,9,10/E:(1,2)/rA:25CCCCCCNCOOCCCCCNNNCCCCNCF/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s11;s11;s7;s4s14;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406;PubChemAID:389921,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389921,2008;2010,1;0,0,0,0,0;1,,=,  8.140;  8.143,8.142000000000001,0.002,0.002,2.0,8.142000000000001,0.002
-OVXBJBCMDXBJRI_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11382171;CHEMBL176068,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)n2nnnc12,OVXBJBCMDXBJRI,OVXBJBCMDXBJRI-UHFFFAOYSA-N,"InChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,17,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,25,24,23,22,21,11,16/E:(4,5)(7,8)/rA:25CCCCCCCCCCOCCCCOCCCCNNNNC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s21;d22;s23;s3s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  6.347;  6.350,6.348,0.001,0.001,2.0,6.348,0.001
-OWCWUJSHJYWLST_on_Q14416_WT,Medium,ChEMBL30,CHEMBL519332,CC1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1,OWCWUJSHJYWLST,OWCWUJSHJYWLST-UHFFFAOYSA-N,"InChI=1S/C18H15F4NO3/c1-11-9-23(17(24)25-11)10-12-2-4-13(5-3-12)15-7-6-14(8-16(15)19)26-18(20,21)22/h2-8,11H,9-10H2,1H3","""AuxInfo=1/0/N:1,7,23,8,22,12,11,19,3,5,2,6,9,13,10,20,24,15,21,16,17,18,4,25,26,14/E:(2,3)(4,5)(20,21,22)/rA:26CCCNCCCCCCCCCOCFFFCCFCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s13;s10d19;s20;s9;s6d22;s4;d24;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-OWDJNJLAMWJGMX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3758228,Cc1c2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2ccc1,OWDJNJLAMWJGMX,OWDJNJLAMWJGMX-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-11-4-3-5-13-16(11)20(28)25(19(13)27)15-7-6-12(10-14(15)21)23-18(26)17-22-8-9-24(17)2/h3-10H,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,19,27,28,26,9,8,16,17,20,2,10,25,21,7,3,14,12,23,4,22,15,11,18,6,13,24,5/rA:28CCCCONCCCCNCOCNCCNCCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s14s17;s18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-OWDJNJLAMWJGMX_on_Q14833_WT,High,ChEMBL30,CHEMBL3758228,Cc1c2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2ccc1,OWDJNJLAMWJGMX,OWDJNJLAMWJGMX-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-11-4-3-5-13-16(11)20(28)25(19(13)27)15-7-6-12(10-14(15)21)23-18(26)17-22-8-9-24(17)2/h3-10H,1-2H3,(H,23,26)","""AuxInfo=1/1/N:1,19,27,28,26,9,8,16,17,20,2,10,25,21,7,3,14,12,23,4,22,15,11,18,6,13,24,5/rA:28CCCCONCCCCNCOCNCCNCCCClCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s14s17;s18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-OWENCIOAIROJMF_on_P18507_WT,Low,ChEMBL30,CHEMBL212008,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccncc1,OWENCIOAIROJMF,OWENCIOAIROJMF-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-6-8-22-9-7-13)16-10-24-26-19(29(16)27-20)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,27,29,22,7,4,25,13,18,23,6,24,12,9,19,28,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCNCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-OWENCIOAIROJMF_on_P28472_WT,Low,ChEMBL30,CHEMBL212008,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccncc1,OWENCIOAIROJMF,OWENCIOAIROJMF-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-6-8-22-9-7-13)16-10-24-26-19(29(16)27-20)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,27,29,22,7,4,25,13,18,23,6,24,12,9,19,28,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCNCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-OWENCIOAIROJMF_on_P34903_WT,Low,ChEMBL30,CHEMBL212008,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccncc1,OWENCIOAIROJMF,OWENCIOAIROJMF-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-6-8-22-9-7-13)16-10-24-26-19(29(16)27-20)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,30,27,29,22,7,4,25,13,18,23,6,24,12,9,19,28,5,21,3,20,10,2,11,8/E:(6,7)(8,9)/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCNCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.850,9.85,0.0,0.0,1.0,9.85,0.0
-OWGMULNTUZSWSQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113235,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(C)(F)F,OWGMULNTUZSWSQ,OWGMULNTUZSWSQ-UHFFFAOYSA-N,"InChI=1S/C24H27F2N3O2/c1-14-10-18(11-15(2)27-14)22-20-8-9-31-16(3)13-29(20)23(28-22)17-6-7-19(24(4,25)26)21(12-17)30-5/h6-7,10-12,16H,8-9,13H2,1-5H3","""AuxInfo=1/0/N:12,15,22,29,1,25,26,18,19,10,16,4,23,11,14,21,5,9,27,17,3,8,6,28,30,31,13,7,24,2,20/E:(1,2)(10,11)(14,15)(25,26)/rA:31COCCCCNCCCCCNCCCCCCOCCCNCCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-OWHLZKYXXOIHCQ_on_P41594_WT,High,ChEMBL30,CHEMBL3920063,CCCc1c(C#N)c(-c2ccccc2)nc2c1c(-c1ccccc1)n[nH]2,OWHLZKYXXOIHCQ,OWHLZKYXXOIHCQ-UHFFFAOYSA-N,"InChI=1S/C22H18N4/c1-2-9-17-18(14-23)20(15-10-5-3-6-11-15)24-22-19(17)21(25-26-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,24,25,26)","""AuxInfo=1/1/N:1,2,12,22,11,13,21,23,3,10,14,20,24,6,9,19,4,5,17,8,18,16,7,15,25,26/E:(5,6)(7,8)(10,11)(12,13)/rA:26CCCCCCNCCCCCCCNCCCCCCCCCNN/rB:s1;s2;s3;d4;s5;t6;s5;s8;d9;s10;d11;s12;s9d13;d8;s15;s4d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-OWIWVULUMNNUKT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3948845,CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21,OWIWVULUMNNUKT,OWIWVULUMNNUKT-UHFFFAOYSA-N,"InChI=1S/C22H23N3O/c1-2-24-19-10-6-7-11-20(19)25(22(24)26)21-15-14-18(16-23-21)13-12-17-8-4-3-5-9-17/h3-5,8-9,14-16,19-20H,2,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,24,23,14,18,25,22,12,11,9,8,19,13,10,26,21,7,4,20,3,6,5/E:(4,5)(8,9)/rA:26CCNCONCCCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;s21;s22;s23;s24;s3s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-OWRCNXZUPFZXOS_on_O15399_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_O60391_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_Q05586_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_Q12879_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_Q13224_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRCNXZUPFZXOS_on_Q14957_WT,Low,ChEMBL30,CHEMBL77675,N=C(Nc1ccccc1)Nc1ccccc1,OWRCNXZUPFZXOS,OWRCNXZUPFZXOS-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)","""AuxInfo=1/1/N:7,14,6,8,13,15,5,9,12,16,4,11,2,1,3,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:16NCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-OWRVGJUBYVVVPK_on_Q13255_WT,High,ChEMBL30,CHEMBL3634440,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1,OWRVGJUBYVVVPK,OWRVGJUBYVVVPK-UHFFFAOYSA-N,"InChI=1S/C18H11FN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,27,26,8,24,2,7,14,18,15,3,4,12,16,10,19,9,23,6,11,5,13,17,25/E:(7,8)(20,21)/rA:27CCCCONCCNCNCOCCCOCFCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  5.270;  5.270,5.27,0.0,0.0,2.0,5.27,0.0
-OWRVGJUBYVVVPK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634440,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1,OWRVGJUBYVVVPK,OWRVGJUBYVVVPK-UHFFFAOYSA-N,"InChI=1S/C18H11FN4O4/c1-9-5-6-27-14(9)15(24)22-10-7-20-18(21-8-10)23-16(25)11-3-2-4-12(19)13(11)17(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,27,26,8,24,2,7,14,18,15,3,4,12,16,10,19,9,23,6,11,5,13,17,25/E:(7,8)(20,21)/rA:27CCCCONCCNCNCOCCCOCFCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OWSVIQULFOYNES_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971590,CC(C)c1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1,OWSVIQULFOYNES,OWSVIQULFOYNES-UHFFFAOYSA-N,"InChI=1S/C22H23F3N4O2S/c1-12(2)21-27-9-18(32-21)15-8-17(20(26)30)28-16-7-13(3-4-14(15)16)10-29-5-6-31-19(11-29)22(23,24)25/h3-4,7-9,12,19H,5-6,10-11H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,3,18,17,22,23,31,9,6,20,30,2,19,16,8,15,10,7,25,11,4,26,27,28,29,12,5,14,21,13,24,32/E:(1,2)(23,24,25)/rA:32CCCCNCCCCCCNONCCCCCCNCCOCCFFFCCS/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s11;d11;d10;s14;s8d15;s16;d17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s26;s26;s21s25;s15d19;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-OWTXLWRGHNAFHX_on_P14867_WT,Low,ChEMBL30,CHEMBL27794;CHEMBL28782;CHEMBL28730,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.850;  6.850;  8.140,7.6129999999999995,0.5529999999999999,0.391,3.0,7.85,0.29
-OWTXLWRGHNAFHX_on_P18507_WT,Low,ChEMBL30,CHEMBL28730;CHEMBL28782;CHEMBL27794;CHEMBL28730;CHEMBL28782;CHEMBL27794;CHEMBL27794;CHEMBL28782;CHEMBL28730,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677847;CHEMBL677847;CHEMBL677847;CHEMBL682708;CHEMBL680431;CHEMBL682708;CHEMBL680431;CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  8.140;  6.850;  7.850;  7.720;  6.170;  7.400;  7.020;  6.600;  7.300,7.228,0.596,0.21100000000000002,9.0,7.3,0.45
-OWTXLWRGHNAFHX_on_P28472_WT,Low,ChEMBL30,CHEMBL28730;CHEMBL28730;CHEMBL27794;CHEMBL28782;CHEMBL27794;CHEMBL28782,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL680431;CHEMBL682708;CHEMBL682708;CHEMBL680431;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.720;  7.300;  7.400;  6.600;  7.020;  6.170,7.035,0.518,0.23199999999999998,6.0,7.16,0.4
-OWTXLWRGHNAFHX_on_P34903_WT,Low,ChEMBL30,CHEMBL28730;CHEMBL28782;CHEMBL27794,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.300;  6.170;  7.020,6.83,0.48,0.34,3.0,7.02,0.28
-OWTXLWRGHNAFHX_on_P47869_WT,Low,ChEMBL30,CHEMBL28782;CHEMBL28730;CHEMBL27794,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.600;  7.720;  7.400,7.24,0.47100000000000003,0.33299999999999996,3.0,7.4,0.32
-OWTXLWRGHNAFHX_on_P47870_WT,Low,ChEMBL30,CHEMBL27794;CHEMBL28730;CHEMBL28782,CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,OWTXLWRGHNAFHX,OWTXLWRGHNAFHX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3","""AuxInfo=1/0/N:1,7,6,8,27,26,14,5,9,13,28,25,15,22,3,30,4,12,29,21,24,19,10,17,23,2,16,20,11,18/E:(3,4)(8,9)/rA:30CNCCCCCCCCOCCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;s16;d17;s17;d19;s19;d21;s22;s23;d24;s25;d26;s27;s21s24d28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.850;  8.140;  6.850,7.6129999999999995,0.5529999999999999,0.391,3.0,7.85,0.29
-OWXDRYKHBJULMN_on_Q13255_WT,High,ChEMBL30,CHEMBL579213,CN(C(=O)c1cc(F)ccc1)c1nc(-c2ccncc2)cs1,OWXDRYKHBJULMN,OWXDRYKHBJULMN-UHFFFAOYSA-N,"InChI=1S/C16H12FN3OS/c1-20(15(21)12-3-2-4-13(17)9-12)16-19-14(10-22-16)11-5-7-18-8-6-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,11,9,16,20,17,19,6,21,15,5,7,14,3,12,8,18,13,2,4,22/E:(5,6)(7,8)/rA:22CNCOCCCFCCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-OWXGYCMGEFJXRO_on_P41594_WT,Low,ChEMBL30,CHEMBL3655595,Cc1ccc(Oc2cncc(NC(=O)c3cccc(C)n3)n2)cn1,OWXGYCMGEFJXRO,OWXGYCMGEFJXRO-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2/c1-11-6-7-13(8-19-11)24-16-10-18-9-15(21-16)22-17(23)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,20,17,18,16,3,4,23,10,8,2,19,5,15,11,7,13,9,24,21,22,12,14,6/rA:24CCCCCOCCNCCNCOCCCCCCNNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7d11;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OWYRELZGAGEKFO_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798734,CCNC(=O)c1c(C)sc2nc(Cc3c(Cl)ccc(C#N)c3)cc(=O)n12,OWYRELZGAGEKFO,OWYRELZGAGEKFO-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-15(24)23(16)18)7-12-6-11(9-20)4-5-14(12)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)","""AuxInfo=1/1/N:1,8,2,18,17,22,13,23,20,7,19,14,12,15,24,6,4,10,16,21,3,11,26,25,5,9/rA:26CCNCOCCCSCNCCCCClCCCCNCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s19;t20;s14d19;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-OWYRELZGAGEKFO_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798734,CCNC(=O)c1c(C)sc2nc(Cc3c(Cl)ccc(C#N)c3)cc(=O)n12,OWYRELZGAGEKFO,OWYRELZGAGEKFO-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-15(24)23(16)18)7-12-6-11(9-20)4-5-14(12)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)","""AuxInfo=1/1/N:1,8,2,18,17,22,13,23,20,7,19,14,12,15,24,6,4,10,16,21,3,11,26,25,5,9/rA:26CCNCOCCCSCNCCCCClCCCCNCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s19;t20;s14d19;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-OXADKDSEETZWCF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3908096,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1,OXADKDSEETZWCF,OXADKDSEETZWCF-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-13-11-16(12-14(2)25-13)19-18-7-9-28-10-8-27(18)20(26-19)15-3-5-17(6-4-15)29-21(22,23)24/h3-6,11-12H,7-10H2,1-2H3","""AuxInfo=1/0/N:1,28,15,24,16,23,7,11,8,10,3,26,2,27,14,4,17,6,5,13,19,20,21,22,29,25,12,9,18/E:(1,2)(3,4)(5,6)(11,12)(13,14)(22,23,24)/rA:29CCCCCCCCOCCNCCCCCOCFFFCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s14d23;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-OXCHNAWHIAXEFF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL165828,CN(C(=O)C12CC1C(=NO)c1c(cccc1)O2)c1ccccc1,OXCHNAWHIAXEFF,OXCHNAWHIAXEFF-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-20(12-7-3-2-4-8-12)17(21)18-11-14(18)16(19-22)13-9-5-6-10-15(13)23-18/h2-10,14,22H,11H2,1H3","""AuxInfo=1/0/N:1,21,20,22,15,14,19,23,16,13,6,18,11,7,12,8,3,5,9,2,4,10,17/E:(3,4)(7,8)/rA:23CNCOCCCCNOCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s5s6;s7;w?8;s9;s8;d11;s12;d13;s14;s11d15;s5s12;s2;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL820026,DOI:10.1016/0960-894X(96)00104-7,1996.0,DOI:10.1016/0960-894X(96)00104-7,1996,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-OXDLZFDSMXMUKS_on_P18507_WT,Low,ChEMBL30,CHEMBL1783245,CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N,OXDLZFDSMXMUKS,OXDLZFDSMXMUKS-UHFFFAOYSA-N,"InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)","""AuxInfo=1/1/N:1,14,15,2,17,16,18,3,12,13,11,19,20,10,7,5,21,4,9,8,6/E:(2,3)/rA:21CCCNCOCNNCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13;d11;s16;d17;s10s18;s7d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-OXDLZFDSMXMUKS_on_P28472_WT,Low,ChEMBL30,CHEMBL1783245,CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N,OXDLZFDSMXMUKS,OXDLZFDSMXMUKS-UHFFFAOYSA-N,"InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)","""AuxInfo=1/1/N:1,14,15,2,17,16,18,3,12,13,11,19,20,10,7,5,21,4,9,8,6/E:(2,3)/rA:21CCCNCOCNNCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13;d11;s16;d17;s10s18;s7d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-OXDLZFDSMXMUKS_on_P47869_WT,Low,ChEMBL30,CHEMBL1783245,CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N,OXDLZFDSMXMUKS,OXDLZFDSMXMUKS-UHFFFAOYSA-N,"InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)","""AuxInfo=1/1/N:1,14,15,2,17,16,18,3,12,13,11,19,20,10,7,5,21,4,9,8,6/E:(2,3)/rA:21CCCNCOCNNCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13;d11;s16;d17;s10s18;s7d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-OXFCYNMUHYQEJB_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2206445;CHEMBL2206445;71461395,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)c(F)ccc1F,OXFCYNMUHYQEJB,OXFCYNMUHYQEJB-UHFFFAOYSA-N,"InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,27,28,6,24,22,7,23,21,16,17,5,25,29,9,15,4,10,3,12,11,26,30,14,13,8,20,2/E:(2,3)(6,7)(9,10)/rA:30COCCCCCNCCClCNNCCCCCNCCCCCFCCCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;s25;d25;s27;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215921;CHEMBL2215923;PubChemAID:713857,PMID:22992024,2012.0,PMID:22992024;PMID:22992024;PubChemAID:713857,2012;2012;2013,1;0;0,0;1;0,0,0,0;0;1,,=,  8.040;  8.120;  8.125,8.095,0.039,0.027999999999999997,3.0,8.12,0.005
-OXFJFOLEFXYRTF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947165,CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1,OXFJFOLEFXYRTF,OXFJFOLEFXYRTF-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-19(2)14-21(18(22)13-23-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,8,7,18,22,4,12,9,6,20,2,19,5,21,23/E:(1,2)(4,5)(6,7)/rA:23CCCCNCCCCCCCCCCCCCNCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s20;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-OXFOFNYOKZJKMZ_on_Q13224_WT,Medium,ChEMBL30,CHEMBL570613,N#Cc1c2C=Cc3c(cc(-c4ccccc4)cn3)C(O)c2ccc1,OXFOFNYOKZJKMZ,OXFOFNYOKZJKMZ-UHFFFAOYSA-N,"InChI=1S/C21H14N2O/c22-12-15-7-4-8-18-17(15)9-10-20-19(21(18)24)11-16(13-23-20)14-5-2-1-3-6-14/h1-11,13,21,24H","""AuxInfo=1/0/N:14,13,15,23,12,16,24,22,5,6,9,2,17,11,3,10,4,21,8,7,19,1,18,20/E:(2,3)(5,6)/rA:24NCCCCCCCCCCCCCCCCNCOCCCC/rB:t1;s2;d3;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;s8;s19;s4s19;d21;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047321,PMID:19648007,2009.0,PMID:19648007,2009,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-OXGMVOXUNNXRFM_on_P31644_WT,High,ChEMBL30,CHEMBL3681619,O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,OXGMVOXUNNXRFM,OXGMVOXUNNXRFM-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c20-15-4-1-12(2-5-15)18-14(11-26-23-18)10-25-17-8-3-13(9-21-17)19(24)22-16-6-7-16/h1-5,8-9,11,16H,6-7,10H2,(H,22,24)","""AuxInfo=1/1/N:19,24,8,20,23,5,6,9,26,12,14,18,7,13,21,4,10,17,2,22,25,3,16,1,11,15/E:(1,2)(4,5)(6,7)/rA:26OCNCCCCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-OXGRLUORTBVGQN_on_Q14416_WT,High,ChEMBL30,CHEMBL3764108,Cn1c(=O)n(CC(C)(C)C)c2c1cc(-c1ccccc1)cc2,OXGRLUORTBVGQN,OXGRLUORTBVGQN-UHFFFAOYSA-N,"InChI=1S/C19H22N2O/c1-19(2,3)13-21-16-11-10-15(14-8-6-5-7-9-14)12-17(16)20(4)18(21)22/h5-12H,13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,16,20,21,22,13,6,15,14,11,12,3,7,2,5,4/E:(1,2,3)(6,7)(8,9)/rA:22CNCONCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-OXIMUVHHPPICNK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1630067;53320615,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(-c3cccs3)nn12,OXIMUVHHPPICNK,OXIMUVHHPPICNK-UHFFFAOYSA-N,"InChI=1S/C18H16N4O3S/c1-11-15(12(2)24-18(23)19-13-7-4-3-5-8-13)25-17-20-16(21-22(11)17)14-9-6-10-26-14/h3-10,12H,1-2H3,(H,19,23)","""AuxInfo=1/1/N:1,5,13,12,14,22,11,15,21,23,2,4,10,20,3,19,17,7,9,18,25,26,8,6,16,24/E:(4,5)(7,8)/rA:26CCCCCOCONCCCCCCOCNCCCCCSNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;s19;d20;s21;d22;s20s23;d19;s2s17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082;PubChemAID:546886,PMID:21051228,2010.0,PMID:21051228;PubChemAID:546886,2010;2011,1;0,0,0,0,0;1,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-OXMWZFGGCVJCMA_on_P14867_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.150,10.15,0.0,0.0,1.0,10.15,0.0
-OXMWZFGGCVJCMA_on_P18507_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL681248;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.770; 10.520; 10.400; 10.150,10.21,0.287,0.166,4.0,10.275,0.185
-OXMWZFGGCVJCMA_on_P28472_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.400;  9.770; 10.520; 10.150,10.21,0.287,0.166,4.0,10.275,0.185
-OXMWZFGGCVJCMA_on_P31644_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-OXMWZFGGCVJCMA_on_P34903_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.400,10.4,0.0,0.0,1.0,10.4,0.0
-OXMWZFGGCVJCMA_on_P47869_WT,Low,ChEMBL30,CHEMBL3144849,C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,OXMWZFGGCVJCMA,OXMWZFGGCVJCMA-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,22H","""AuxInfo=1/0/N:1,2,18,19,17,20,4,22,5,21,13,3,6,16,10,15,9,11,14,8,7,12/E:(7,8)(9,10)/rA:22CCCCCCNNCCCOCNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.520,10.52,0.0,0.0,1.0,10.52,0.0
-OXOPEGOTFPQEBO_on_O00591_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_O14764_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P14867_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P18505_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P18507_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P28472_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P31644_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P34903_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P47869_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P47870_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P48169_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_P78334_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_Q16445_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXOPEGOTFPQEBO_on_Q99928_WT,Low,ChEMBL30,CHEMBL66273,Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,OXOPEGOTFPQEBO,OXOPEGOTFPQEBO-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-OXRXBJGSNZVEPW_on_P14867_WT,Low,ChEMBL30,CHEMBL204041,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,OXRXBJGSNZVEPW,OXRXBJGSNZVEPW-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)12-5-7-24-15(9-12)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,27,2,15,13,3,8,9,14,19,17,20,21,22,23,1,10,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-OXRXBJGSNZVEPW_on_P18507_WT,Low,ChEMBL30,CHEMBL204041,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,OXRXBJGSNZVEPW,OXRXBJGSNZVEPW-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)12-5-7-24-15(9-12)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,27,2,15,13,3,8,9,14,19,17,20,21,22,23,1,10,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.540;  8.600,8.57,0.03,0.03,2.0,8.57,0.03
-OXRXBJGSNZVEPW_on_P28472_WT,Low,ChEMBL30,CHEMBL204041,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,OXRXBJGSNZVEPW,OXRXBJGSNZVEPW-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)12-5-7-24-15(9-12)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,27,2,15,13,3,8,9,14,19,17,20,21,22,23,1,10,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.600;  8.540,8.57,0.03,0.03,2.0,8.57,0.03
-OXRXBJGSNZVEPW_on_P34903_WT,Low,ChEMBL30,CHEMBL204041,N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,OXRXBJGSNZVEPW,OXRXBJGSNZVEPW-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)12-5-7-24-15(9-12)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,12,24,11,25,27,2,15,13,3,8,9,14,19,17,20,21,22,23,1,10,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-OXSWCVXEQZIBGE_on_P14867_WT,Low,ChEMBL30,CHEMBL1783213,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C=O,OXSWCVXEQZIBGE,OXSWCVXEQZIBGE-UHFFFAOYSA-N,"InChI=1S/C20H30O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h11-16,18,22H,3-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OXSWCVXEQZIBGE_on_P18507_WT,Low,ChEMBL30,CHEMBL1783213,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C=O,OXSWCVXEQZIBGE,OXSWCVXEQZIBGE-UHFFFAOYSA-N,"InChI=1S/C20H30O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h11-16,18,22H,3-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OXSWCVXEQZIBGE_on_P47870_WT,Low,ChEMBL30,CHEMBL1783213,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C=O,OXSWCVXEQZIBGE,OXSWCVXEQZIBGE-UHFFFAOYSA-N,"InChI=1S/C20H30O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h11-16,18,22H,3-10H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,15,11,3,22,10,21,12,7,18,4,6,16,2,23,13,5/rA:23CCCCOCCCCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-OXUTXRZFYPFZEZ_on_P14867_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-OXUTXRZFYPFZEZ_on_P18507_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677036;CHEMBL682711;CHEMBL680672;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.420;  7.700;  9.000;  7.800,7.98,0.605,0.349,4.0,7.75,0.19
-OXUTXRZFYPFZEZ_on_P28472_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682711;CHEMBL680434;CHEMBL680672;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.700;  7.800;  9.000;  7.420,7.98,0.605,0.349,4.0,7.75,0.19
-OXUTXRZFYPFZEZ_on_P31644_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-OXUTXRZFYPFZEZ_on_P34903_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-OXUTXRZFYPFZEZ_on_P47869_WT,Low,ChEMBL30,CHEMBL318873,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1,OXUTXRZFYPFZEZ,OXUTXRZFYPFZEZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,23,15,16,12,13,8,3,19,24,2,9,7,4,17,20,6,10,11,25,21,22,5,14,18/rA:25CCCCOCCCCCNCCSCCCSCCNNCCN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s22;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-OXVAGVMMJCNKRK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16735659;CHEMBL226831,Cc1cnnc(C#Cc2ccc(-c3ccccc3)cc2)n1,OXVAGVMMJCNKRK,OXVAGVMMJCNKRK-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-14-13-19-21-18(20-14)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,10,20,8,11,19,7,3,2,9,13,12,6,4,21,5/E:(3,4)(5,6)(7,8)(10,11)/rA:21CCCNNCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521;CHEMBL888663,PMID:17569516,2007.0,PubChemAID:291521;PMID:17569516,2010;2007,0;1,0,0,0,1;0,,=,  6.292;  6.290,6.291,0.001,0.001,2.0,6.291,0.001
-OXZCQZUVAOSDAT_on_P41594_WT,High,ChEMBL30,CHEMBL2349540,Cc1nc(NC(=O)c2nn(C)c(-c3ccc(Cl)c(Cl)c3)c2C)ccc1,OXZCQZUVAOSDAT,OXZCQZUVAOSDAT-UHFFFAOYSA-N,"InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)","""AuxInfo=1/1/N:1,22,11,24,25,23,14,15,20,2,21,13,16,18,4,8,12,6,17,19,3,5,9,10,7/rA:25CCNCNCOCNNCCCCCCClCClCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s18;s13d18;s8d12;s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-OXZOZUKNFIDXCU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3914548,Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ncccn1,OXZOZUKNFIDXCU,OXZOZUKNFIDXCU-UHFFFAOYSA-N,"InChI=1S/C16H11FN6O/c17-11-9-10(4-5-13(11)24-16-19-7-2-8-20-16)21-15-14-12(22-23-15)3-1-6-18-14/h1-9H,(H2,21,22,23)","""AuxInfo=1/1/N:10,22,11,15,16,9,21,23,3,4,2,12,17,7,6,19,1,8,20,24,5,13,14,18/E:(7,8)(19,20)/rA:24FCCCNCCNCCCCNNCCCOCNCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.560,5.56,0.0,0.0,1.0,5.56,0.0
-OYBJHDUNIMNXFB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3965606,NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1,OYBJHDUNIMNXFB,OYBJHDUNIMNXFB-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN3O3/c22-16-8-12(23)2-4-13(16)15-9-18(21(24)29)25-17-7-11(1-3-14(15)17)10-26-19(27)5-6-20(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)","""AuxInfo=1/1/N:17,9,16,8,23,24,27,12,5,19,18,10,7,15,6,13,28,4,21,25,2,14,11,1,29,20,22,26,3/E:(5,6)(19,20)(27,28)/rA:29NCOCCCCCCCFCCClCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;s13;d6;s15;d16;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;d18;s15s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-OYDHXEOEQLGKGX_on_P41594_WT,High,ChEMBL30,CHEMBL3735107,CN1CCC(n2nnc3c2CCC(c2nc(-c4ccc(F)cc4)no2)C3)CC1,OYDHXEOEQLGKGX,OYDHXEOEQLGKGX-UHFFFAOYSA-N,"InChI=1S/C20H23FN6O/c1-26-10-8-16(9-11-26)27-18-7-4-14(12-17(18)23-25-27)20-22-19(24-28-20)13-2-5-15(21)6-3-13/h2-3,5-6,14,16H,4,7-12H2,1H3","""AuxInfo=1/0/N:1,18,23,12,19,22,11,4,27,3,28,26,17,13,20,5,9,10,16,14,21,15,8,24,7,2,6,25/E:(2,3)(5,6)(8,9)(10,11)/rA:28CNCCCNNNCCCCCCNCCCCCFCCNOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;d16;s14s24;s9s13;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-OYDXPFDAFAUMMU_on_P41594_WT,Low,ChEMBL30,CHEMBL2011875,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(F)cc1,OYDXPFDAFAUMMU,OYDXPFDAFAUMMU-UHFFFAOYSA-N,"InChI=1S/C15H15FN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-OYDXPFDAFAUMMU_on_Q13255_WT,High,ChEMBL30,CHEMBL2011875,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(F)cc1,OYDXPFDAFAUMMU,OYDXPFDAFAUMMU-UHFFFAOYSA-N,"InChI=1S/C15H15FN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-OYFQWGAOVSXFKN_on_P41594_WT,Medium,ChEMBL30,CHEMBL4113283;CHEMBL3925608,Cc1nc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)cs1,OYFQWGAOVSXFKN,OYFQWGAOVSXFKN-UHFFFAOYSA-N,"InChI=1S/C19H20N4OS/c1-14-22-16(12-25-14)17(24)23-19-5-2-4-18(13-19,7-8-19)6-3-15-11-20-9-10-21-15/h9-12H,2,4-5,7-8,13H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,10,14,11,9,13,21,22,18,19,16,24,23,2,15,4,5,12,8,17,20,3,7,6,25/rA:25CCNCCONCCCCCCCCCNCCNCCCCS/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s8s21;s8s12;d4;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  7.080;  7.920,7.5,0.42,0.42,2.0,7.5,0.42
-OYIFNHCXNCRBQI_on_O15303_WT,Low,ChEMBL30,CHEMBL88804,NC(CCCC(=O)O)C(=O)O,OYIFNHCXNCRBQI,OYIFNHCXNCRBQI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,9,1,7,8,10,11/E:(8,9)(10,11)/rA:11NCCCCCOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130;CHEMBL712215,PMID:8759641,1996.0,PMID:10893301;PMID:8759641,2000;1996,0,0;1,0,1;0,0,,=,  3.854;  3.854,3.8539999999999996,0.0,0.0,2.0,3.8539999999999996,0.0
-OYIFNHCXNCRBQI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL88804,NC(CCCC(=O)O)C(=O)O,OYIFNHCXNCRBQI,OYIFNHCXNCRBQI-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,9,1,7,8,10,11/E:(8,9)(10,11)/rA:11NCCCCCOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL713617;CHEMBL718215,PMID:8759641,1996.0,PMID:8759641;PMID:10893301,1996;2000,0,1;0,0,0;1,0,,=,  4.460;  4.460,4.46,0.0,0.0,2.0,4.46,0.0
-OYLCIUHGUBNPFB_on_P41594_WT,High,ChEMBL30,CHEMBL224200,CC1CCC(n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)CC1,OYLCIUHGUBNPFB,OYLCIUHGUBNPFB-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCOCCCNCCCCNCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-OYLCIUHGUBNPFB_on_Q13255_WT,High,ChEMBL30,CHEMBL224200,CC1CCC(n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)CC1,OYLCIUHGUBNPFB,OYLCIUHGUBNPFB-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCOCCCNCCCCNCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-OYLYZHZQJGNNIP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289287,COc1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1,OYLYZHZQJGNNIP,OYLYZHZQJGNNIP-UHFFFAOYSA-N,"InChI=1S/C28H31NO4/c1-32-24-11-9-22(10-12-24)27(30)8-5-16-29-17-15-23-18-25(13-14-26(23)28(31)19-29)33-20-21-6-3-2-4-7-21/h2-4,6-7,9-14,18,28,31H,5,8,15-17,19-20H2,1H3","""AuxInfo=1/0/N:1,25,24,26,10,23,27,9,5,32,4,33,18,17,14,11,13,28,31,21,22,6,15,3,19,16,7,29,12,8,30,2,20/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCCCCCOCCCNCCCCCCCOCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;s16;s29;s12s29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OYLYZHZQJGNNIP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289287,COc1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1,OYLYZHZQJGNNIP,OYLYZHZQJGNNIP-UHFFFAOYSA-N,"InChI=1S/C28H31NO4/c1-32-24-11-9-22(10-12-24)27(30)8-5-16-29-17-15-23-18-25(13-14-26(23)28(31)19-29)33-20-21-6-3-2-4-7-21/h2-4,6-7,9-14,18,28,31H,5,8,15-17,19-20H2,1H3","""AuxInfo=1/0/N:1,25,24,26,10,23,27,9,5,32,4,33,18,17,14,11,13,28,31,21,22,6,15,3,19,16,7,29,12,8,30,2,20/E:(3,4)(6,7)(9,10)(11,12)/rA:33COCCCCCOCCCNCCCCCCCOCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;s16;s29;s12s29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-OYQKQASXFZFMKT_on_Q14416_WT,High,ChEMBL30,CHEMBL2179326,Fc1cc(F)c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,OYQKQASXFZFMKT,OYQKQASXFZFMKT-UHFFFAOYSA-N,"InChI=1S/C22H21F5N4/c23-15-3-4-16(17(24)12-15)14-5-8-30(9-6-14)18-7-10-31-19(11-13-1-2-13)28-29-21(31)20(18)22(25,26)27/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2","""AuxInfo=1/0/N:23,24,31,30,8,29,27,9,28,26,21,3,22,7,2,6,4,11,20,12,17,13,1,5,14,15,16,19,18,10,25/E:(1,2)(5,6)(8,9)(25,26,27)/rA:31FCCCFCCCCNCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;s13;s13;s13;s12;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s11d26;s10;s7s28;s6;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-OYRLVXOXERUGJG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3906337,Cc1cc(F)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1,OYRLVXOXERUGJG,OYRLVXOXERUGJG-UHFFFAOYSA-N,"InChI=1S/C16H13FN4O3S/c1-11-8-12(17)5-6-15(11)25(23,24)21-10-13(9-19-21)20-16(22)14-4-2-3-7-18-14/h2-10H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,20,21,19,6,7,22,3,24,13,2,4,14,18,8,16,5,23,25,15,12,17,10,11,9/E:(23,24)/CRV:25.6/rA:25CCCCFCCCSOONCCNCOCCCCCNCN/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;d9;s9;s12;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-OYVDGPILQULPCW_on_Q05586_WT,Low,ChEMBL30,CHEMBL228437,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,OYVDGPILQULPCW,OYVDGPILQULPCW-UHFFFAOYSA-N,"InChI=1S/C25H37N5OS/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-21-11-1-3-13-23(21)32-24-14-4-2-12-22(24)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:24,30,23,31,3,4,8,9,13,14,25,29,22,32,2,5,7,10,12,15,20,28,21,27,17,1,6,11,16,19,18,26/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:32NCCCCNCCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s19d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.900;  6.970,6.935,0.035,0.035,2.0,6.935,0.035
-OYVDGPILQULPCW_on_Q12879_WT,Low,ChEMBL30,CHEMBL228437,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,OYVDGPILQULPCW,OYVDGPILQULPCW-UHFFFAOYSA-N,"InChI=1S/C25H37N5OS/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-21-11-1-3-13-23(21)32-24-14-4-2-12-22(24)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:24,30,23,31,3,4,8,9,13,14,25,29,22,32,2,5,7,10,12,15,20,28,21,27,17,1,6,11,16,19,18,26/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:32NCCCCNCCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s19d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-OYVDGPILQULPCW_on_Q13224_WT,Low,ChEMBL30,CHEMBL228437,NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,OYVDGPILQULPCW,OYVDGPILQULPCW-UHFFFAOYSA-N,"InChI=1S/C25H37N5OS/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-21-11-1-3-13-23(21)32-24-14-4-2-12-22(24)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:24,30,23,31,3,4,8,9,13,14,25,29,22,32,2,5,7,10,12,15,20,28,21,27,17,1,6,11,16,19,18,26/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:32NCCCCNCCCCNCCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s26;s19d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-OYXPOTWAGMJBCX_on_P41594_WT,High,ChEMBL30,CHEMBL213344,Cc1nc(C#CCSc2cccc(Cl)c2)ccc1,OYXPOTWAGMJBCX,OYXPOTWAGMJBCX-UHFFFAOYSA-N,"InChI=1S/C15H12ClNS/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3","""AuxInfo=1/0/N:1,17,11,6,18,12,16,5,10,7,15,2,13,4,9,14,3,8/rA:18CCNCCCCSCCCCCClCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-OYXXATFJACEJGE_on_P14867_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.190;  8.190,8.19,0.0,0.0,2.0,8.19,0.0
-OYXXATFJACEJGE_on_P18507_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823916;CHEMBL822165;CHEMBL685338;CHEMBL683045;CHEMBL683047;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;2000;1998;2000;2000;2000,0,0,0,1,0,,=,  6.830;  8.190;  8.370;  6.610;  6.610;  8.190;  8.370;  6.830,7.5,0.7859999999999999,0.297,8.0,7.51,0.77
-OYXXATFJACEJGE_on_P28472_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL682251;CHEMBL681480;CHEMBL683045;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  6.830;  8.190;  8.370;  6.610;  6.830;  8.370;  6.610;  8.190,7.5,0.7859999999999999,0.297,8.0,7.51,0.77
-OYXXATFJACEJGE_on_P31644_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.370;  8.370,8.37,0.0,0.0,2.0,8.37,0.0
-OYXXATFJACEJGE_on_P34903_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.830;  6.830,6.83,0.0,0.0,2.0,6.83,0.0
-OYXXATFJACEJGE_on_Q16445_WT,Low,ChEMBL30,CHEMBL340546,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O,OYXXATFJACEJGE,OYXXATFJACEJGE-UHFFFAOYSA-N,"InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,22,24,26,27,21,25,18,3,14,19,17,16,4,5,28,6,9,13,2,20,15,29,7,8/E:(1,2,3)(6,7)(10,11)/rA:29CNCCCCOOCCCCNCNCCCCNCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s21;s22;s23;s20s24;s19;s16d26;s2s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.610;  6.610,6.61,0.0,0.0,2.0,6.61,0.0
-OYYUPNGZPHAMRV_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258570,O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1c(CO)c2c(CCCC2)s1,OYYUPNGZPHAMRV,OYYUPNGZPHAMRV-UHFFFAOYSA-N,"InChI=1S/C19H22F3N3O2S/c20-19(21,22)17-12-6-1-3-7-14(12)25(24-17)9-16(27)23-18-13(10-26)11-5-2-4-8-15(11)28-18/h26H,1-10H2,(H,23,27)","""AuxInfo=1/1/N:15,26,14,25,27,16,13,24,3,20,22,11,19,12,23,2,6,18,7,8,9,10,17,5,4,21,1,28/E:(20,21,22)/rA:28OCCNNCCFFFCCCCCCNCCCOCCCCCCS/rB:d1;s2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;s14;s11s15;s2;s17;d18;s19;s20;s19;d22;s23;s24;s25;s22s26;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-OYZGBVMJCNJHEN_on_P41594_WT,Low,ChEMBL30,CHEMBL1783983,O=C(C1CCCCC1)N1CCCC2(CCCCC2)C1,OYZGBVMJCNJHEN,OYZGBVMJCNJHEN-UHFFFAOYSA-N,"InChI=1S/C17H29NO/c19-16(15-8-3-1-4-9-15)18-13-7-12-17(14-18)10-5-2-6-11-17/h15H,1-14H2","""AuxInfo=1/0/N:6,16,5,7,15,17,11,4,8,14,18,12,10,19,3,2,13,9,1/E:(3,4)(5,6)(8,9)(10,11)/rA:19OCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9s13;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-OZBIBLBGKRCAHD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289288,O=C(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccc(F)cc1,OZBIBLBGKRCAHD,OZBIBLBGKRCAHD-UHFFFAOYSA-N,"InChI=1S/C27H28FNO3/c28-23-10-8-21(9-11-23)26(30)7-4-15-29-16-14-22-17-24(12-13-25(22)27(31)18-29)32-19-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,27,31H,4,7,14-16,18-19H2","""AuxInfo=1/0/N:19,18,20,4,17,21,3,27,32,28,31,12,11,8,5,7,22,25,15,16,26,9,29,13,10,2,23,30,6,1,24,14/E:(2,3)(5,6)(8,9)(10,11)/rA:32OCCCCNCCCCCCCOCCCCCCCCCOCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;s6s23;s2;d26;s27;d28;s29;s29;s26d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-OZBIBLBGKRCAHD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289288,O=C(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccc(F)cc1,OZBIBLBGKRCAHD,OZBIBLBGKRCAHD-UHFFFAOYSA-N,"InChI=1S/C27H28FNO3/c28-23-10-8-21(9-11-23)26(30)7-4-15-29-16-14-22-17-24(12-13-25(22)27(31)18-29)32-19-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,27,31H,4,7,14-16,18-19H2","""AuxInfo=1/0/N:19,18,20,4,17,21,3,27,32,28,31,12,11,8,5,7,22,25,15,16,26,9,29,13,10,2,23,30,6,1,24,14/E:(2,3)(5,6)(8,9)(10,11)/rA:32OCCCCNCCCCCCCOCCCCCCCCCOCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;s10;s23;s6s23;s2;d26;s27;d28;s29;s29;s26d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-OZBPUVPJZIHLCA_on_Q14833_WT,High,ChEMBL30,CHEMBL4071064,ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCCC1)cc2,OZBPUVPJZIHLCA,OZBPUVPJZIHLCA-UHFFFAOYSA-N,"InChI=1S/C22H22N4O3/c27-24-19-14-22(20-12-16-4-3-9-26(16)15-23-20)29-21-6-5-17(13-18(19)21)28-11-10-25-7-1-2-8-25/h3-6,9,12-15,27H,1-2,7-8,10-11H2","""AuxInfo=1/0/N:25,26,10,9,28,29,24,27,11,22,21,7,18,4,13,8,19,17,3,6,16,5,14,2,23,12,1,20,15/E:(1,2)(7,8)/rA:29ONCCCCCCCCCNCNOCCCCOCCNCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s8s11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s23s26;s19;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-OZBUYWSMWLUMTI_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797313,CCN(Cc1cc(=O)n2c(CCCO)c(C)sc2n1)c1ccc(F)cc1,OZBUYWSMWLUMTI,OZBUYWSMWLUMTI-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2S/c1-3-22(16-8-6-14(20)7-9-16)12-15-11-18(25)23-17(5-4-10-24)13(2)26-19(23)21-15/h6-9,11,24H,3-5,10,12H2,1-2H3","""AuxInfo=1/0/N:1,16,2,12,11,22,25,21,26,13,6,4,15,23,5,20,10,7,18,24,19,3,9,14,8,17/E:(6,7)(8,9)/rA:26CCNCCCCONCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-OZBUYWSMWLUMTI_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797313,CCN(Cc1cc(=O)n2c(CCCO)c(C)sc2n1)c1ccc(F)cc1,OZBUYWSMWLUMTI,OZBUYWSMWLUMTI-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2S/c1-3-22(16-8-6-14(20)7-9-16)12-15-11-18(25)23-17(5-4-10-24)13(2)26-19(23)21-15/h6-9,11,24H,3-5,10,12H2,1-2H3","""AuxInfo=1/0/N:1,16,2,12,11,22,25,21,26,13,6,4,15,23,5,20,10,7,18,24,19,3,9,14,8,17/E:(6,7)(8,9)/rA:26CCNCCCCONCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-OZFPZIADDZVWTG_on_Q13255_WT,Low,ChEMBL30,CHEMBL3785372,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)nccc1,OZFPZIADDZVWTG,OZFPZIADDZVWTG-UHFFFAOYSA-N,"InChI=1S/C21H16ClN3O2/c1-13-5-4-10-23-19(13)20(26)24-15-8-9-18(17(22)11-15)25-12-14-6-2-3-7-16(14)21(25)27/h2-11H,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,18,17,26,27,19,16,23,22,25,8,13,2,14,7,15,9,11,3,4,20,10,24,6,12,5,21/rA:27CCCCONCCCClCNCCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-OZGZYJKBOIMCOI_on_Q14416_WT,Low,ChEMBL30,CHEMBL279838,CC(C)(N)CCP(=O)(O)O,OZGZYJKBOIMCOI,OZGZYJKBOIMCOI-UHFFFAOYSA-N,"InChI=1S/C5H14NO3P/c1-5(2,6)3-4-10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9)","""AuxInfo=1/1/N:1,3,5,6,2,4,8,9,10,7/E:(1,2)(7,8,9)/rA:10CCCNCCPOOO/rB:s1;s2;s2;s2;s5;s6;d7;s7;s7;/rC:;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.350,3.35,0.0,0.0,1.0,3.35,0.0
-OZGZYJKBOIMCOI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL279838,CC(C)(N)CCP(=O)(O)O,OZGZYJKBOIMCOI,OZGZYJKBOIMCOI-UHFFFAOYSA-N,"InChI=1S/C5H14NO3P/c1-5(2,6)3-4-10(7,8)9/h3-4,6H2,1-2H3,(H2,7,8,9)","""AuxInfo=1/1/N:1,3,5,6,2,4,8,9,10,7/E:(1,2)(7,8,9)/rA:10CCCNCCPOOO/rB:s1;s2;s2;s2;s5;s6;d7;s7;s7;/rC:;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-OZKBWEDVSNOMJW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3907734,O=C1OC2(CCCCC2)CN1c1ccc(C#Cc2ccccc2)cn1,OZKBWEDVSNOMJW,OZKBWEDVSNOMJW-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20-23(16-21(25-20)13-5-2-6-14-21)19-12-11-18(15-22-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15H,2,5-6,13-14,16H2","""AuxInfo=1/0/N:21,7,20,22,6,8,19,23,17,16,14,13,5,9,24,10,18,15,12,2,4,25,11,1,3/E:(3,4)(5,6)(7,8)(13,14)/rA:25OCOCCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s4;s2s10;s11;d12;s13;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-OZNRPSUTFGVFHP_on_P41594_WT,Low,ChEMBL30,CHEMBL399128,Cc1nc2c(cnn2-c2cnccc2)c(=O)n1-c1ccc(Cl)cc1,OZNRPSUTFGVFHP,OZNRPSUTFGVFHP-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5O/c1-11-21-16-15(10-20-23(16)14-3-2-8-19-9-14)17(24)22(11)13-6-4-12(18)5-7-13/h2-10H,1H3","""AuxInfo=1/0/N:1,13,14,20,23,19,24,12,10,6,2,21,18,9,5,4,15,22,11,7,3,17,8,16/E:(4,5)(6,7)/rA:24CCNCCCNNCCNCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-OZNRPSUTFGVFHP_on_Q13255_WT,High,ChEMBL30,CHEMBL399128,Cc1nc2c(cnn2-c2cnccc2)c(=O)n1-c1ccc(Cl)cc1,OZNRPSUTFGVFHP,OZNRPSUTFGVFHP-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5O/c1-11-21-16-15(10-20-23(16)14-3-2-8-19-9-14)17(24)22(11)13-6-4-12(18)5-7-13/h2-10H,1H3","""AuxInfo=1/0/N:1,13,14,20,23,19,24,12,10,6,2,21,18,9,5,4,15,22,11,7,3,17,8,16/E:(4,5)(6,7)/rA:24CCNCCCNNCCNCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-OZPDTGUHKZLDCP_on_P31644_WT,High,ChEMBL30,CHEMBL3681432,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(F)c(F)c2)no1,OZPDTGUHKZLDCP,OZPDTGUHKZLDCP-UHFFFAOYSA-N,"InChI=1S/C22H21F2N3O4/c1-13-17(21(27-31-13)14-2-4-18(23)19(24)10-14)12-30-20-5-3-15(11-25-20)22(28)26-16-6-8-29-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,23,8,24,7,14,18,15,17,29,19,4,2,22,9,13,3,25,27,6,21,10,26,28,20,12,30,11,16,5,31/E:(6,7)(8,9)/rA:31CCCCOCCCCCONCCCOCCCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s27;s22d27;d21;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-OZWURFQKHYKJNH_on_P41594_WT,High,ChEMBL30,CHEMBL3644407,O=C1CN=C(n2cnc(C(O)C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,OZWURFQKHYKJNH,OZWURFQKHYKJNH-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c28-22-11-24-21(26-12-19(25-13-26)23(29)15-6-7-15)10-20-18-3-1-2-16(14-4-5-14)17(18)8-9-27(20)22/h1-3,10,12-15,23,29H,4-9,11H2","""AuxInfo=1/0/N:28,27,29,25,26,13,14,20,21,16,3,15,7,24,12,23,19,18,9,17,5,2,10,4,8,6,22,1,11/E:(4,5)(6,7)/rA:29OCCNCNCNCCOCCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s12;s12s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-OZWURFQKHYKJNH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644407,O=C1CN=C(n2cnc(C(O)C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,OZWURFQKHYKJNH,OZWURFQKHYKJNH-UHFFFAOYSA-N,"InChI=1S/C23H24N4O2/c28-22-11-24-21(26-12-19(25-13-26)23(29)15-6-7-15)10-20-18-3-1-2-16(14-4-5-14)17(18)8-9-27(20)22/h1-3,10,12-15,23,29H,4-9,11H2","""AuxInfo=1/0/N:28,27,29,25,26,13,14,20,21,16,3,15,7,24,12,23,19,18,9,17,5,2,10,4,8,6,22,1,11/E:(4,5)(6,7)/rA:29OCCNCNCNCCOCCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s12;s12s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-OZWWGORJEFGSDB_on_P41594_WT,High,ChEMBL30,CHEMBL181769,Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cnccc2)n1,OZWWGORJEFGSDB,OZWWGORJEFGSDB-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-12-5-3-7-16(20-12)23-18(24)17-15(9-8-13(2)21-17)22-14-6-4-10-19-11-14/h3-11,22H,1-2H3,(H,20,23,24)","""AuxInfo=1/1/N:1,13,4,22,3,23,5,14,15,21,19,2,12,18,16,6,10,8,20,24,11,17,7,9/rA:24CCCCCCNCOCNCCCCCNCCNCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s16;s17;d18;s19;d20;s21;s18d22;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-OZXCXTWFVJBVIA_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3899605,Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1Cl,OZXCXTWFVJBVIA,OZXCXTWFVJBVIA-UHFFFAOYSA-N,"InChI=1S/C16H13ClN4O3S/c1-11-8-13(5-6-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,16,17,15,22,23,18,3,20,9,2,10,4,24,14,12,25,19,21,11,8,13,6,7,5/E:(23,24)/CRV:25.6/rA:25CCCCSOONCCNCOCCCCCNCNCCCCl/rB:s1;d2;s3;s4;d5;d5;s5;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s10;s8d20;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-OZYGIPXPFHTDTP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3947471,Fc1ccc2[nH]nc(Nc3ccc(F)c(Cl)c3)c2n1,OZYGIPXPFHTDTP,OZYGIPXPFHTDTP-UHFFFAOYSA-N,"InChI=1S/C12H7ClF2N4/c13-7-5-6(1-2-8(7)14)16-12-11-9(18-19-12)3-4-10(15)17-11/h1-5H,(H2,16,18,19)","""AuxInfo=1/1/N:11,12,4,3,17,10,15,13,5,2,18,8,16,14,1,9,19,6,7/rA:19FCCCCNNCNCCCCFCClCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s15;s10d15;s5s8;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-PADZHIZSLDIVML_on_P31644_WT,High,ChEMBL30,CHEMBL3676546,COC(=O)c1ccc(OCc2c(C)onc2-c2cccc(Cl)c2)nc1,PADZHIZSLDIVML,PADZHIZSLDIVML-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-11-15(17(21-25-11)12-4-3-5-14(19)8-12)10-24-16-7-6-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,19,18,20,6,7,23,25,10,12,17,5,21,11,8,16,3,22,24,15,4,2,9,14/rA:25COCOCCCCOCCCCONCCCCCCClCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s21;s17d21;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-PAFKHYPPLMSWPU_on_Q05586_WT,Low,ChEMBL30,CHEMBL64941,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2,PAFKHYPPLMSWPU,PAFKHYPPLMSWPU-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)","""AuxInfo=1/1/N:17,22,18,21,7,6,13,23,12,24,15,3,10,16,14,19,2,5,4,9,20,8,25,11,1/E:(1,2)(3,4)(7,8)(9,10)/rA:25OCCCCCCNCCNCCCCCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1805133;CHEMBL1805126;CHEMBL752567;CHEMBL715186;CHEMBL1805123,PMID:15056006,2004.0,PMID:21453995;PMID:21453995;PMID:15056006;PMID:15056006;PMID:21453995,2011;2011;2004;2004;2011,0;1;0;1;1,0,0,1;0;1;0;0,0,,=,  8.960;  7.330;  8.960;  7.920;  7.920,8.218,0.643,0.322,5.0,7.92,0.59
-PAFKHYPPLMSWPU_on_Q13224_WT,Low,ChEMBL30,CHEMBL64941,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2,PAFKHYPPLMSWPU,PAFKHYPPLMSWPU-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)","""AuxInfo=1/1/N:17,22,18,21,7,6,13,23,12,24,15,3,10,16,14,19,2,5,4,9,20,8,25,11,1/E:(1,2)(3,4)(7,8)(9,10)/rA:25OCCCCCCNCCNCCCCCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805126;CHEMBL1805123;CHEMBL715186;CHEMBL752567;CHEMBL1805133,PMID:15056006,2004.0,PMID:21453995;PMID:21453995;PMID:15056006;PMID:15056006;PMID:21453995,2011;2011;2004;2004;2011,1;1;1;0;0,0,0,0;0;0;1;1,0,,=,  7.330;  7.920;  7.920;  8.960;  8.960,8.218,0.643,0.322,5.0,7.92,0.59
-PAFVVVJOWYXHTF_on_P41594_WT,High,ChEMBL30,CHEMBL1682831,COCCN1CCOc2c1ncc(COc1ccccc1)c2,PAFVVVJOWYXHTF,PAFVVVJOWYXHTF-UHFFFAOYSA-N,"InChI=1S/C17H20N2O3/c1-20-9-7-19-8-10-21-16-11-14(12-18-17(16)19)13-22-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,4,6,3,7,22,12,14,13,16,9,10,11,5,2,8,15/E:(3,4)(5,6)/rA:22COCCNCCOCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.340;  6.340,6.34,0.0,0.0,2.0,6.34,0.0
-PAGOMYUQSNTMDH_on_Q14416_WT,Low,ChEMBL30,CHEMBL1669401,CCCn1ccc2c(ccc(N3CCOCC3)c2)c1=O,PAGOMYUQSNTMDH,PAGOMYUQSNTMDH-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2/c1-2-6-18-7-5-13-12-14(3-4-15(13)16(18)19)17-8-10-20-11-9-17/h3-5,7,12H,2,6,8-11H2,1H3","""AuxInfo=1/0/N:1,2,10,9,6,3,5,13,17,14,16,18,7,11,8,19,12,4,20,15/E:(8,9)(10,11)/rA:20CCCNCCCCCCCNCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s12s16;s7d11;s4s8;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PAHJVMKIXDIYKN_on_P18507_WT,Low,ChEMBL30,CHEMBL236470,CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PAHJVMKIXDIYKN,PAHJVMKIXDIYKN-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,12,18,4,13,10,19,3,9,14,11,20,15,16,17,6,7,8/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;d3;s4;s4;d6;s3s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PAHJVMKIXDIYKN_on_P28472_WT,High,ChEMBL30,CHEMBL236470,CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PAHJVMKIXDIYKN,PAHJVMKIXDIYKN-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,12,18,4,13,10,19,3,9,14,11,20,15,16,17,6,7,8/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;d3;s4;s4;d6;s3s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-PAHJVMKIXDIYKN_on_P47869_WT,Low,ChEMBL30,CHEMBL236470,CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PAHJVMKIXDIYKN,PAHJVMKIXDIYKN-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,12,18,4,13,10,19,3,9,14,11,20,15,16,17,6,7,8/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;d3;s4;s4;d6;s3s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PAHJVMKIXDIYKN_on_P47870_WT,Low,ChEMBL30,CHEMBL236470,CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PAHJVMKIXDIYKN,PAHJVMKIXDIYKN-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,12,18,4,13,10,19,3,9,14,11,20,15,16,17,6,7,8/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;d3;s4;s4;d6;s3s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PAMVKTILGQPDRQ_on_Q14833_WT,High,ChEMBL30,CHEMBL3609733,COc1cccc(NC(=O)c2ncccc2)c1,PAMVKTILGQPDRQ,PAMVKTILGQPDRQ-UHFFFAOYSA-N,"InChI=1S/C13H12N2O2/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)","""AuxInfo=1/1/N:1,15,14,5,6,4,16,13,17,7,3,11,9,12,8,10,2/rA:17COCCCCCNCOCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3d7;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  7.860;  7.860,7.86,0.0,0.0,2.0,7.86,0.0
-PAONCRJPUQXPRW_on_O15303_WT,Low,ChEMBL30,CHEMBL86508,CC(N)(C(=O)O)c1ccc(P(=O)(O)O)cc1,PAONCRJPUQXPRW,PAONCRJPUQXPRW-UHFFFAOYSA-N,"InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:1,8,16,9,15,7,10,4,2,3,5,6,12,13,14,11/E:(2,3)(4,5)(11,12)(13,14,15)/rA:16CCNCOOCCCCPOOOCC/rB:s1;s2;s2;d4;s4;s2;d7;s8;d9;s10;d11;s11;s11;s10;s7d15;/rC:;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.319,3.319,0.0,0.0,1.0,3.319,0.0
-PAONCRJPUQXPRW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL86508,CC(N)(C(=O)O)c1ccc(P(=O)(O)O)cc1,PAONCRJPUQXPRW,PAONCRJPUQXPRW-UHFFFAOYSA-N,"InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:1,8,16,9,15,7,10,4,2,3,5,6,12,13,14,11/E:(2,3)(4,5)(11,12)(13,14,15)/rA:16CCNCOOCCCCPOOOCC/rB:s1;s2;s2;d4;s4;s2;d7;s8;d9;s10;d11;s11;s11;s10;s7d15;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-PARJNKOOYPKDLX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3947399,CC(C)c1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1,PARJNKOOYPKDLX,PARJNKOOYPKDLX-UHFFFAOYSA-N,"InChI=1S/C19H17ClFN3O3S2/c1-11(2)16-18(29(26,27)10-12-6-7-13(20)9-14(12)21)28-19(23-16)24-17(25)15-5-3-4-8-22-15/h3-9,11H,10H2,1-2H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,25,26,24,11,12,27,15,9,2,10,13,16,23,4,21,5,19,14,17,28,29,20,22,7,8,18,6/E:(1,2)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCCCClCCFSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;d12;s13;s13;s10d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-PASZTKJWCDEAIE_on_P41594_WT,High,ChEMBL30,CHEMBL398125,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccco1,PASZTKJWCDEAIE,PASZTKJWCDEAIE-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c21-13-7-8-16(22-18(24)17-6-3-9-27-17)12(10-13)11-23-19(25)14-4-1-2-5-15(14)20(23)26/h1-10H,11H2,(H,22,24)","""AuxInfo=1/1/N:18,19,25,17,20,24,6,5,26,9,11,10,7,16,15,4,23,2,21,13,8,3,12,1,22,14,27/E:(1,2)(4,5)(14,15)(19,20)(25,26)/rA:27OCNCCCCClCCCNCOCCCCCCCOCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-PAUWBGCEMHIIBI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3922380,Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1cnccn1,PAUWBGCEMHIIBI,PAUWBGCEMHIIBI-UHFFFAOYSA-N,"InChI=1S/C16H11ClN6O/c17-11-8-10(3-4-13(11)24-14-9-18-6-7-19-14)21-16-15-12(22-23-16)2-1-5-20-15/h1-9H,(H2,21,22,23)","""AuxInfo=1/1/N:10,11,15,16,9,22,23,3,20,4,2,12,17,19,7,6,1,21,24,8,5,13,14,18/rA:24ClCCCNCCNCCCCNNCCCOCCNCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-PAVOURBCAONWKJ_on_P41594_WT,High,ChEMBL30,CHEMBL4098822,O=C(c1cc(F)cc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1,PAVOURBCAONWKJ,PAVOURBCAONWKJ-UHFFFAOYSA-N,"InChI=1S/C18H13ClF2N4O/c19-12-5-11(6-14(21)7-12)18(26)24-3-4-25-15(10-24)8-17(23-25)16-2-1-13(20)9-22-16/h1-2,5-9H,3-4,10H2","""AuxInfo=1/0/N:19,18,12,13,10,4,7,24,22,26,3,8,20,5,25,17,16,2,9,21,6,23,15,11,14,1/rA:26OCCCCFCCClCNCCNNCCCCCFCNCCC/rB:d1;s2;d3;s4;s5;d5;s7;s8;s3d8;s2;s11;s12;s13;s14;d15;s16;d17;s18;d19;s20;s20;s17d22;s16;s14d24;s11s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4427245,PMID:27432763,2016.0,PMID:27432763,2016,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-PAXRPWSXCPTPCA_on_P41594_WT,Low,ChEMBL30,CHEMBL382769,Cc1c(NC(=O)N=C2CCCN2C)c(C)ccc1,PAXRPWSXCPTPCA,PAXRPWSXCPTPCA-UHFFFAOYSA-N,"InChI=1S/C14H19N3O/c1-10-6-4-7-11(2)13(10)16-14(18)15-12-8-5-9-17(12)3/h4,6-7H,5,8-9H2,1-3H3,(H,16,18)","""AuxInfo=1/1/N:1,15,13,17,10,18,16,9,11,2,14,8,3,5,7,4,12,6/E:(1,2)(6,7)(10,11)/rA:18CCCNCONCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s5;w?7;s8;s9;s10;s8s11;s12;s3;s14;d14;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PBAHADUPJBISBJ_on_P41594_WT,High,ChEMBL30,CHEMBL2151478,O=S(=O)(c1ccc(F)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,PBAHADUPJBISBJ,PBAHADUPJBISBJ-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S/c18-13-3-1-2-11(8-13)16-20-17(25-21-16)12-9-22(10-12)26(23,24)15-6-4-14(19)5-7-15/h1-8,12H,9-10H2","""AuxInfo=1/0/N:19,18,20,6,9,5,10,23,12,26,17,13,21,7,4,16,14,22,8,15,24,11,1,3,25,2/E:(4,5)(6,7)(9,10)(23,24)/CRV:26.6/rA:26OSOCCCCFCCNCCCNCCCCCCClCNOC/rB:d1;d2;s2;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s17d21;d16;s14s24;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-PBDSMSNNSQQDPD_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,57459477;CHEMBL2179333;CHEMBL2179333,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)nnc12,PBDSMSNNSQQDPD,PBDSMSNNSQQDPD-UHFFFAOYSA-N,"InChI=1S/C20H18F3N5/c21-20(22,23)12-18-25-26-19-16(13-24)17(8-11-28(18)19)27-9-6-15(7-10-27)14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12H2","""AuxInfo=1/0/N:12,11,13,10,14,7,15,17,6,16,18,21,2,9,8,3,4,20,28,22,23,24,25,1,26,27,5,19/E:(2,3)(4,5)(6,7)(9,10)(21,22,23)/rA:28NCCCNCCCCCCCCCCCCCNCCCFFFNNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s22;s22;d20;s26;s3s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482;CHEMBL2215923,PMID:22992024,2012.0,PubChemAID:711294;PMID:23072213;PMID:22992024,2013;2012;2012,0,0;1;1,0,0,1;0;0,,=,  7.252;  7.250;  7.250,7.251,0.001,0.001,3.0,7.25,0.0
-PBLRFFNGKFTDRQ_on_P18507_WT,Low,ChEMBL30,CHEMBL566566,Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,PBLRFFNGKFTDRQ,PBLRFFNGKFTDRQ-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-18-7-16-17-13(18)10-4-9(14)2-3-11(10)19(12)6-15-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,18,6,2,14,10,11,3,9,15,19,7,8,5,17/rA:19CCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-PBLRFFNGKFTDRQ_on_P28472_WT,Low,ChEMBL30,CHEMBL566566,Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,PBLRFFNGKFTDRQ,PBLRFFNGKFTDRQ-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-18-7-16-17-13(18)10-4-9(14)2-3-11(10)19(12)6-15-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,18,6,2,14,10,11,3,9,15,19,7,8,5,17/rA:19CCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-PBLRFFNGKFTDRQ_on_P31644_WT,Low,ChEMBL30,CHEMBL566566,Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,PBLRFFNGKFTDRQ,PBLRFFNGKFTDRQ-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-18-7-16-17-13(18)10-4-9(14)2-3-11(10)19(12)6-15-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,18,6,2,14,10,11,3,9,15,19,7,8,5,17/rA:19CCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-PBUFKKDWSHXPKM_on_P41594_WT,High,ChEMBL30,CHEMBL1682814,CC(=O)N1CCOc2c1ccc(OCc1ccccc1)n2,PBUFKKDWSHXPKM,PBUFKKDWSHXPKM-UHFFFAOYSA-N,"InChI=1S/C16H16N2O3/c1-12(19)18-9-10-20-16-14(18)7-8-15(17-16)21-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,10,11,5,6,14,2,15,9,12,8,21,4,3,7,13/E:(3,4)(5,6)/rA:21CCONCCOCCCCCOCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.120;  6.130,6.125,0.005,0.005,2.0,6.125,0.005
-PBVKGEMPZBKZOA_on_P41594_WT,High,ChEMBL30,CHEMBL2164552,N#Cc1cnc(-c2noc(-c3cc(C#N)cc(F)c3)n2)cc1,PBVKGEMPZBKZOA,PBVKGEMPZBKZOA-UHFFFAOYSA-N,"InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H","""AuxInfo=1/0/N:22,21,12,16,19,2,14,4,3,13,11,17,6,7,10,18,1,15,5,20,8,9/rA:22NCCCNCCNOCCCCCNCCFCNCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;t14;d13;s16;s17;s11d17;s7d10;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2168107;CHEMBL2168108;CHEMBL2168560;CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,0;0;1;1,0,0,1;1;0;0,0,,=,  7.550;  7.750;  7.290;  7.870,7.615,0.22,0.127,4.0,7.65,0.16
-PBYISPNTWUWROS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3970066,CN(C(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)C,PBYISPNTWUWROS,PBYISPNTWUWROS-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3","""AuxInfo=1/0/N:21,22,23,1,13,12,14,10,9,17,7,18,11,8,15,5,3,20,16,6,19,2,4/E:(1,2,3)(11,12)(20,21)/rA:23CNCOCNCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544;CHEMBL3888543;CHEMBL3888544,PATENT:US9359301B2,2016.0,PATENT:US9359301B2,2016,0,1;1;0,0,0;0;1,0,,=,  7.290;  7.640;  7.290,7.407,0.165,0.11699999999999999,3.0,7.29,0.0
-PBZAEFOIGADQGW_on_P18507_WT,Low,ChEMBL30,CHEMBL235787,Nc1c(-c2ccccc2)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PBZAEFOIGADQGW,PBZAEFOIGADQGW-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2F3N4/c16-10-6-9(15(18,19)20)7-11(17)13(10)24-14(21)12(22-23-24)8-4-2-1-3-5-8/h1-7H,21H2","""AuxInfo=1/0/N:7,6,8,5,9,16,22,4,17,14,23,3,13,2,18,15,24,19,20,21,1,10,11,12/E:(2,3)(4,5)(6,7)(10,11)(16,17)(18,19,20)/rA:24NCCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;d10;s2s11;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-PBZAEFOIGADQGW_on_P47869_WT,Low,ChEMBL30,CHEMBL235787,Nc1c(-c2ccccc2)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PBZAEFOIGADQGW,PBZAEFOIGADQGW-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2F3N4/c16-10-6-9(15(18,19)20)7-11(17)13(10)24-14(21)12(22-23-24)8-4-2-1-3-5-8/h1-7H,21H2","""AuxInfo=1/0/N:7,6,8,5,9,16,22,4,17,14,23,3,13,2,18,15,24,19,20,21,1,10,11,12/E:(2,3)(4,5)(6,7)(10,11)(16,17)(18,19,20)/rA:24NCCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;d10;s2s11;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-PBZAEFOIGADQGW_on_P47870_WT,Low,ChEMBL30,CHEMBL235787,Nc1c(-c2ccccc2)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,PBZAEFOIGADQGW,PBZAEFOIGADQGW-UHFFFAOYSA-N,"InChI=1S/C15H9Cl2F3N4/c16-10-6-9(15(18,19)20)7-11(17)13(10)24-14(21)12(22-23-24)8-4-2-1-3-5-8/h1-7H,21H2","""AuxInfo=1/0/N:7,6,8,5,9,16,22,4,17,14,23,3,13,2,18,15,24,19,20,21,1,10,11,12/E:(2,3)(4,5)(6,7)(10,11)(16,17)(18,19,20)/rA:24NCCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;d10;s2s11;s12;d13;s14;s14;d16;s17;s18;s18;s18;s17;s13d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-PCDABTQQAJSLPA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,1069776;CHEMBL225589,CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,PCDABTQQAJSLPA,PCDABTQQAJSLPA-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,5,6,23,19,16,4,9,10,11,8,13,20,7,24,2,15,14,12/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCCCSCONCCCCClCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s19;s16d21;s15;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  5.742;  5.740,5.7410000000000005,0.001,0.001,2.0,5.7410000000000005,0.001
-PCDABTQQAJSLPA_on_Q13255_WT,High,ChEMBL30,CHEMBL225589,CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,PCDABTQQAJSLPA,PCDABTQQAJSLPA-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,8,14,19,16,4,5,12,11,6,23,20,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCNCNCCCCClCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-PCEJBJZCAZWMJB_on_P41594_WT,High,ChEMBL30,CHEMBL3986753,O=C1NC(c2cncc(C#CC3CC3)c2)C(c2cccc(F)c2)O1,PCEJBJZCAZWMJB,PCEJBJZCAZWMJB-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O2/c20-16-3-1-2-14(9-16)18-17(22-19(23)24-18)15-8-13(10-21-11-15)7-6-12-4-5-12/h1-3,8-12,17-18H,4-5H2,(H,22,23)","""AuxInfo=1/1/N:19,18,20,13,14,11,10,15,23,8,6,12,9,17,5,21,4,16,2,22,7,3,1,24/E:(4,5)/rA:24OCNCCCNCCCCCCCCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s12s13;s5d9;s4;s16;d17;s18;d19;s20;s21;s17d21;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  7.020;  7.050,7.035,0.015,0.015,2.0,7.035,0.015
-PCEOSWRRLHSSOC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1199122,C[n+]1ccc2c3c(cccc3)n(CCCCCCCCCCCCn3c4ccccc4c4c3c[n+](C)cc4)c2c1,PCEOSWRRLHSSOC,PCEOSWRRLHSSOC-UHFFFAOYSA-N,"InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,18,19,17,20,16,21,15,22,10,29,9,28,14,23,11,30,8,27,4,38,13,24,3,37,40,34,6,31,5,32,7,26,39,33,2,35,12,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)/CRV:37+1,38+1/rA:40CN+CCCCCCCCCNCCCCCCCCCCCCNCCCCCCCCCN+CCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s35;s32d37;s5s12;s2d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.360;  5.250,5.305,0.055,0.055,2.0,5.305,0.055
-PCEOSWRRLHSSOC_on_Q12879_WT,Low,ChEMBL30,CHEMBL1199122,C[n+]1ccc2c3c(cccc3)n(CCCCCCCCCCCCn3c4ccccc4c4c3c[n+](C)cc4)c2c1,PCEOSWRRLHSSOC,PCEOSWRRLHSSOC-UHFFFAOYSA-N,"InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,18,19,17,20,16,21,15,22,10,29,9,28,14,23,11,30,8,27,4,38,13,24,3,37,40,34,6,31,5,32,7,26,39,33,2,35,12,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)/CRV:37+1,38+1/rA:40CN+CCCCCCCCCNCCCCCCCCCCCCNCCCCCCCCCN+CCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s35;s32d37;s5s12;s2d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-PCEOSWRRLHSSOC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1199122,C[n+]1ccc2c3c(cccc3)n(CCCCCCCCCCCCn3c4ccccc4c4c3c[n+](C)cc4)c2c1,PCEOSWRRLHSSOC,PCEOSWRRLHSSOC-UHFFFAOYSA-N,"InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,18,19,17,20,16,21,15,22,10,29,9,28,14,23,11,30,8,27,4,38,13,24,3,37,40,34,6,31,5,32,7,26,39,33,2,35,12,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)/CRV:37+1,38+1/rA:40CN+CCCCCCCCCNCCCCCCCCCCCCNCCCCCCCCCN+CCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s7;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s35;s32d37;s5s12;s2d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-PCGLIUCACABCNP_on_Q14833_WT,High,ChEMBL30,CHEMBL3808698,Cc1cc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1,PCGLIUCACABCNP,PCGLIUCACABCNP-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3S/c1-14-5-4-6-15(11-14)13-25(23,24)21-10-8-16(12-21)20-18(22)17-7-2-3-9-19-17/h2-12H,13H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,19,24,25,23,17,11,20,10,3,22,5,2,4,12,16,14,21,13,9,15,7,8,6/E:(23,24)/CRV:25.6/rA:25CCCCCSOONCCCNCOCCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;d6;s6;s9;d10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s9d12;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.380;  5.380,5.38,0.0,0.0,2.0,5.38,0.0
-PCILNHKPPMAMLQ_on_P14867_WT,Medium,ChEMBL30,CHEMBL145983,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3cc(F)ccc3)cn12,PCILNHKPPMAMLQ,PCILNHKPPMAMLQ-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-17-8-4-7-16(11-17)20-14-27-21(24-20)18-13-26(10-9-19(18)25-22(27)28)12-15-5-2-1-3-6-15/h1-8,11,14H,9-10,12-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,10,14,26,24,16,15,21,8,6,27,9,20,22,5,4,19,17,2,23,18,3,7,28,1/E:(2,3)(5,6)/rA:28OCNCCCNCCCCCCCCCCNCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-PCILNHKPPMAMLQ_on_P47869_WT,Medium,ChEMBL30,CHEMBL145983,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3cc(F)ccc3)cn12,PCILNHKPPMAMLQ,PCILNHKPPMAMLQ-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-17-8-4-7-16(11-17)20-14-27-21(24-20)18-13-26(10-9-19(18)25-22(27)28)12-15-5-2-1-3-6-15/h1-8,11,14H,9-10,12-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,10,14,26,24,16,15,21,8,6,27,9,20,22,5,4,19,17,2,23,18,3,7,28,1/E:(2,3)(5,6)/rA:28OCNCCCNCCCCCCCCCCNCCCCFCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-PCKMQUISQMUBKK_on_P14867_WT,Low,ChEMBL30,CHEMBL15093,CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PCKMQUISQMUBKK,PCKMQUISQMUBKK-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,18,17,11,2,6,20,5,12/E:(1,2)(7,8)/rA:26CNCCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-PCKMQUISQMUBKK_on_P18507_WT,Low,ChEMBL30,CHEMBL15093,CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PCKMQUISQMUBKK,PCKMQUISQMUBKK-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,18,17,11,2,6,20,5,12/E:(1,2)(7,8)/rA:26CNCCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683021;CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.460;  8.770,8.615,0.155,0.155,2.0,8.615,0.155
-PCKMQUISQMUBKK_on_P34903_WT,Low,ChEMBL30,CHEMBL15093,CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PCKMQUISQMUBKK,PCKMQUISQMUBKK-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,18,17,11,2,6,20,5,12/E:(1,2)(7,8)/rA:26CNCCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683021,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-PCKMQUISQMUBKK_on_P47870_WT,Low,ChEMBL30,CHEMBL15093,CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PCKMQUISQMUBKK,PCKMQUISQMUBKK-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,18,17,11,2,6,20,5,12/E:(1,2)(7,8)/rA:26CNCCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678632;CHEMBL683021,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.770;  8.460,8.615,0.155,0.155,2.0,8.615,0.155
-PCLDOYFAYOCLQE_on_P18507_WT,Low,ChEMBL30,CHEMBL571466,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC)c3)-n2cn1,PCLDOYFAYOCLQE,PCLDOYFAYOCLQE-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,11,23,18,14,15,7,6,13,4,12,24,10,22,9,5,19,3/rA:24CCOCOCCCNNCNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PCLDOYFAYOCLQE_on_P28472_WT,Low,ChEMBL30,CHEMBL571466,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC)c3)-n2cn1,PCLDOYFAYOCLQE,PCLDOYFAYOCLQE-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,11,23,18,14,15,7,6,13,4,12,24,10,22,9,5,19,3/rA:24CCOCOCCCNNCNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PCLDOYFAYOCLQE_on_P31644_WT,Low,ChEMBL30,CHEMBL571466,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC)c3)-n2cn1,PCLDOYFAYOCLQE,PCLDOYFAYOCLQE-UHFFFAOYSA-N,"InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,20,2,17,16,21,8,11,23,18,14,15,7,6,13,4,12,24,10,22,9,5,19,3/rA:24CCOCOCCCNNCNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;s14d18;s7s15;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PCPUHSXRCOXBKI_on_O15399_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_O60391_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_Q05586_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_Q12879_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_Q13224_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCPUHSXRCOXBKI_on_Q14957_WT,Low,ChEMBL30,CHEMBL295084,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1,PCPUHSXRCOXBKI,PCPUHSXRCOXBKI-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O2/c15-9-6-10-12(16-7-9)13(18)11(14(19)17-10)8-4-2-1-3-5-8/h1-7H,(H2,17,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,10,7,14,8,4,13,5,11,2,9,6,3,12,1/E:(2,3)(4,5)/rA:19OCNCCNCCClCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-PCRRXYJDKILUID_on_P14867_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-PCRRXYJDKILUID_on_P18507_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.190;  8.680;  7.800;  8.520,8.297,0.337,0.195,4.0,8.355,0.245
-PCRRXYJDKILUID_on_P28472_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.800;  8.680;  8.190;  8.520,8.297,0.337,0.195,4.0,8.355,0.245
-PCRRXYJDKILUID_on_P31644_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-PCRRXYJDKILUID_on_P34903_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-PCRRXYJDKILUID_on_P47869_WT,Low,ChEMBL30,CHEMBL178956,c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1,PCRRXYJDKILUID,PCRRXYJDKILUID-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-13-17-12-23-10-11-24-17/h1-5,10-12,14-15H,6-9,13H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,17,16,19,13,25,22,4,14,9,10,5,8,11,18,15,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29CCCCCNNCCCCOCCNCCNCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-PCSHOZRRLWJMKY_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,44441270;CHEMBL247113;CHEMBL247113,FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)cc(Cl)c3)CN2)cc1Cl,PCSHOZRRLWJMKY,PCSHOZRRLWJMKY-UHFFFAOYSA-N,"InChI=1S/C16H10Cl3F3N2O/c17-10-3-9(4-11(18)6-10)13-7-23-15(24-13)8-1-2-14(12(19)5-8)25-16(20,21)22/h1-6,13H,7H2,(H,23,24)","""AuxInfo=1/1/N:8,7,14,20,23,17,21,9,13,15,18,24,12,6,10,2,16,19,25,1,3,4,22,11,5/E:(3,4)(10,11)(17,18)(20,21,22)/rA:25FCFFOCCCCCNCCCCClCCClCCNCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;w?10;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;s12;s10s21;s9;s6d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:307754;CHEMBL887787;CHEMBL887786,PMID:17498948,2007.0,PubChemAID:307754;PMID:17498948;PMID:17498948,2010;2007;2007,0;1;0,0,0,0;0;1,1;0;0,,=,  6.652;  5.430;  6.650,6.244,0.5760000000000001,0.40700000000000003,3.0,6.65,0.002
-PCTFDWCOJRKBDY_on_O00591_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_O14764_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P14867_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P18505_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P18507_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P28472_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P31644_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P34903_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P47869_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P47870_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P48169_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_P78334_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCTFDWCOJRKBDY_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322880,Cc1c(N)ncc(C(=O)O)c1,PCTFDWCOJRKBDY,PCTFDWCOJRKBDY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,11,6,2,7,3,8,4,5,9,10/E:(10,11)/rA:11CCCNNCCCOOC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s8;s2d7;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PCZLQMGFNUNVOM_on_P14867_WT,High,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:16384707,2006.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.140,9.14,0.0,0.0,1.0,9.14,0.0
-PCZLQMGFNUNVOM_on_P18507_WT,Low,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869461;CHEMBL853069;CHEMBL869460;CHEMBL853070;CHEMBL869459;CHEMBL853071;CHEMBL853068,PMID:16480260,2006.0,PMID:16384707;PMID:16480260;PMID:16384707;PMID:16480260;PMID:16384707;PMID:16480260;PMID:16480260,2006,0,0,0,1,0,,=,  9.050;  8.700;  8.820;  8.740;  9.220;  8.960;  9.140,8.947000000000001,0.18600000000000003,0.076,7.0,8.96,0.18
-PCZLQMGFNUNVOM_on_P28472_WT,Low,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869461;CHEMBL869459;CHEMBL869460;CHEMBL853070;CHEMBL853069;CHEMBL853068;CHEMBL853071,PMID:16480260,2006.0,PMID:16384707;PMID:16384707;PMID:16384707;PMID:16480260;PMID:16480260;PMID:16480260;PMID:16480260,2006,0,0,0,1,0,,=,  9.050;  9.220;  8.820;  8.740;  8.700;  9.140;  8.960,8.947000000000001,0.18600000000000003,0.076,7.0,8.96,0.18
-PCZLQMGFNUNVOM_on_P31644_WT,High,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:16384707,2006.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-PCZLQMGFNUNVOM_on_P34903_WT,High,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:16384707,2006.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-PCZLQMGFNUNVOM_on_P47869_WT,High,ChEMBL30,CHEMBL204696,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1,PCZLQMGFNUNVOM,PCZLQMGFNUNVOM-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,18,19,17,26,25,12,21,9,29,11,20,13,23,15,10,5,14,7,2,24,16,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCFCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:16480260,2006.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-PDHWQEISXAXCEI_on_P31644_WT,High,ChEMBL30,CHEMBL3676503,Cc1c(COc2ccc(C(=O)N3CCCCC3)cn2)c(-c2ccccc2)no1,PDHWQEISXAXCEI,PDHWQEISXAXCEI-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-16-19(21(24-28-16)17-8-4-2-5-9-17)15-27-20-11-10-18(14-23-20)22(26)25-12-6-3-7-13-25/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3","""AuxInfo=1/0/N:1,24,15,23,25,14,16,22,26,8,7,13,17,18,4,2,21,9,3,6,20,10,19,27,12,11,5,28/E:(4,5)(6,7)(8,9)(12,13)/rA:28CCCCOCCCCCONCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-PDMFLZNGTOBPMC_on_P41594_WT,High,ChEMBL30,CHEMBL2071575,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccccc1Cl,PDMFLZNGTOBPMC,PDMFLZNGTOBPMC-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O2/c19-13-5-3-4-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-7-2-1-6-14(15)20/h1-8,12H,9-10H2","""AuxInfo=1/0/N:22,21,10,9,11,23,20,14,3,17,8,4,12,24,19,2,7,5,13,25,6,15,18,1,16/rA:25OCCCCNCCCCCCClCNOCNCCCCCCCl/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s19d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-PDMZFEPBJSWTHR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3946663,N#Cc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,PDMZFEPBJSWTHR,PDMZFEPBJSWTHR-UHFFFAOYSA-N,"InChI=1S/C13H8ClN5/c14-10-6-9(4-3-8(10)7-15)17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,(H2,17,18,19)","""AuxInfo=1/1/N:12,13,4,5,11,17,2,3,6,18,14,9,8,19,1,10,7,15,16/rA:19NCCCCCNCCNCCCCNNCCCl/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-PDNKIKDJRLUOME_on_P41594_WT,High,ChEMBL30,CHEMBL2426605,O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1c(F)cccc1)s2,PDNKIKDJRLUOME,PDNKIKDJRLUOME-UHFFFAOYSA-N,"InChI=1S/C19H14F2N2O2S/c20-12-5-7-13(8-6-12)23-10-9-15-18(19(23)24)26-17(22-15)11-25-16-4-2-1-3-14(16)21/h1-8H,9-11H2","""AuxInfo=1/0/N:23,24,22,25,10,13,9,14,5,6,17,11,8,20,4,19,16,3,2,12,21,15,7,1,18,26/E:(5,6)(7,8)/rA:26OCCCCCNCCCCFCCNCCOCCFCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;s20;d22;s23;s19d24;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  6.260;  6.260,6.26,0.0,0.0,2.0,6.26,0.0
-PDOZRVXKPBQAJH_on_O00591_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_O14764_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_P14867_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.620;  6.750;  6.140,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P18505_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.620;  6.750;  6.140,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P18507_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_P28472_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.620;  6.140;  6.750,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P31644_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.750;  6.140;  7.620,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P34903_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.140;  6.750;  7.620,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P47869_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.140;  6.750;  7.620,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P47870_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.620;  6.140;  6.750,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P48169_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0,1;0;1,0,0,0,,=,  6.750;  7.620;  6.140,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_P78334_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDOZRVXKPBQAJH_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.750;  6.140;  7.620,6.837000000000001,0.607,0.429,3.0,6.75,0.61
-PDOZRVXKPBQAJH_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427537,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1,PDOZRVXKPBQAJH,PDOZRVXKPBQAJH-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,24,25,23,26,8,9,30,29,5,12,4,13,32,21,19,7,22,6,11,10,31,16,27,17,2,14,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCCCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;s24;s25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PDUYPEOJRTWPFT_on_P41594_WT,High,ChEMBL30,CHEMBL2349533,Cc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2C)n1,PDUYPEOJRTWPFT,PDUYPEOJRTWPFT-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23)","""AuxInfo=1/1/N:1,22,13,18,17,19,4,3,16,20,5,2,21,15,6,10,14,8,23,7,11,12,9/E:(5,6)(9,10)/rA:23CCCCCCNCOCNNCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;s12;s14;d15;s16;d17;s18;s15d19;s10d14;s21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-PDUZXPXMVSKHBB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114578,COc1cc(-c2nc(-c3cc(C)nc(CO)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F,PDUZXPXMVSKHBB,PDUZXPXMVSKHBB-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-7-15(8-16(12-31)28-13)21-19-5-6-33-17(10-24)11-30(19)22(29-21)14-3-4-18(23(25,26)27)20(9-14)32-2/h3-4,7-9,17,31H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:12,1,27,28,19,20,10,17,4,23,25,15,11,5,9,14,22,29,18,3,8,6,30,24,31,32,33,13,7,26,16,2,21/E:(25,26,27)/rA:33COCCCCNCCCCCNCCOCCCCOCCFCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s23;s22;s6s18s25;d5;s27;s3d28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-PDVVFJANSCEBDP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113735;CHEMBL3928272,COC(=O)c1cc(-c2cn(C)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)c(F)c2n1,PDVVFJANSCEBDP,PDVVFJANSCEBDP-UHFFFAOYSA-N,"InChI=1S/C21H20F4N4O3/c1-28-9-13(8-26-28)15-7-16(20(30)31-2)27-19-14(15)4-3-12(18(19)22)10-29-5-6-32-17(11-29)21(23,24)25/h3-4,7-9,17H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:11,1,16,15,20,21,6,13,9,18,28,17,8,14,7,5,23,29,31,3,24,30,25,26,27,12,32,10,19,4,2,22/E:(23,24,25)/rA:32COCOCCCCCNCNCCCCCCNCCOCCFFFCCFCN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s10;s10;s8d12;d7;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;d17;s29;s14s29;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.850;  7.680,7.765,0.085,0.085,2.0,7.765,0.085
-PDWIXUPKLCRNMD_on_O15399_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_O60391_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_Q05586_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_Q12879_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_Q13224_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWIXUPKLCRNMD_on_Q14957_WT,Low,ChEMBL30,CHEMBL353194,Nc1cccnc1N1CCc2c(cccc2)C1,PDWIXUPKLCRNMD,PDWIXUPKLCRNMD-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2","""AuxInfo=1/0/N:15,14,4,16,13,3,10,5,9,17,11,12,2,7,1,6,8/rA:17NCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PDWJALXSRRSUHR_on_O15399_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_O60391_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWJALXSRRSUHR_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365743,N=C(N)NN=Cc1ccccc1Cl,PDWJALXSRRSUHR,PDWJALXSRRSUHR-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PDWQQCXEJZOYJR_on_P41594_WT,High,ChEMBL30,CHEMBL180713,Cc1cccc(NC(=O)c2nc(C)cnc2N)n1,PDWQQCXEJZOYJR,PDWQQCXEJZOYJR-UHFFFAOYSA-N,"InChI=1S/C12H13N5O/c1-7-4-3-5-9(15-7)17-12(18)10-11(13)14-6-8(2)16-10/h3-6H,1-2H3,(H2,13,14)(H,15,17,18)","""AuxInfo=1/1/N:1,13,4,3,5,14,2,12,6,10,16,8,17,15,18,11,7,9/rA:18CCCCCCNCOCNCCCNCNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-PDXAYWCWEYQJCV_on_P41594_WT,High,ChEMBL30,CHEMBL2403669,CN1CCc2c(C1)sc(C#Cc1ccccc1)n2,PDXAYWCWEYQJCV,PDXAYWCWEYQJCV-UHFFFAOYSA-N,"InChI=1S/C15H14N2S/c1-17-10-9-13-14(11-17)18-15(16-13)8-7-12-5-3-2-4-6-12/h2-6H,9-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,4,3,7,12,5,6,9,18,2,8/E:(3,4)(5,6)/rA:18CNCCCCCSCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s2s6;s6;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-PDYCRXHYUADPPD_on_Q13255_WT,High,ChEMBL30,CHEMBL3634416,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)cc2)occ1,PDYCRXHYUADPPD,PDYCRXHYUADPPD-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,24,9,23,27,26,2,7,10,14,18,15,3,4,12,16,19,6,11,5,13,17,25/E:(5,6)(7,8)/rA:27CCCCONCCCCNCOCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-PDYCRXHYUADPPD_on_Q14833_WT,High,ChEMBL30,CHEMBL3634416,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)cc2)occ1,PDYCRXHYUADPPD,PDYCRXHYUADPPD-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,24,9,23,27,26,2,7,10,14,18,15,3,4,12,16,19,6,11,5,13,17,25/E:(5,6)(7,8)/rA:27CCCCONCCCCNCOCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-PEBWTLIJBCZFOA_on_P14867_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068;CHEMBL864002,PMID:16392789,2006.0,PMID:16480260;PMID:16392789,2006,0,0,0,1,0,,=,  9.400;  9.410,9.405,0.005,0.005,2.0,9.405,0.005
-PEBWTLIJBCZFOA_on_P18507_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864003;CHEMBL853068;CHEMBL853070;CHEMBL864005;CHEMBL864004;CHEMBL864002,PMID:16392789,2006.0,PMID:16392789;PMID:16480260;PMID:16480260;PMID:16392789;PMID:16392789;PMID:16392789,2006,0,0,0,1,0,,=,  9.110;  9.400;  9.400;  9.920;  9.430;  9.410,9.445,0.239,0.107,6.0,9.405,0.015
-PEBWTLIJBCZFOA_on_P28472_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853070;CHEMBL864002;CHEMBL864003;CHEMBL864005;CHEMBL864004;CHEMBL853068,PMID:16392789,2006.0,PMID:16480260;PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  9.400;  9.410;  9.110;  9.920;  9.430;  9.400,9.445,0.239,0.107,6.0,9.405,0.015
-PEBWTLIJBCZFOA_on_P31644_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-PEBWTLIJBCZFOA_on_P34903_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.430,9.43,0.0,0.0,1.0,9.43,0.0
-PEBWTLIJBCZFOA_on_P47869_WT,Low,ChEMBL30,CHEMBL199957,Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,PEBWTLIJBCZFOA,PEBWTLIJBCZFOA-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,21,19,6,2,12,8,18,13,7,4,20,5,3,22/rA:24CCNCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL864003;CHEMBL853070,PMID:16392789,2006.0,PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  9.110;  9.400,9.255,0.145,0.145,2.0,9.255,0.145
-PEDQCOLPUZUUGO_on_O15303_WT,High,ExCAPE-DB,70789094,O=C(c1ncc(C#Cc2cc(F)ccc2)cc1)N1CC2CC2C1,PEDQCOLPUZUUGO,PEDQCOLPUZUUGO-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O/c20-17-3-1-2-13(8-17)4-5-14-6-7-18(21-10-14)19(23)22-11-15-9-16(15)12-22/h1-3,6-8,10,15-16H,9,11-12H2","""AuxInfo=1/0/N:14,15,13,8,7,16,17,10,21,5,19,23,9,6,20,22,11,3,2,12,4,18,1/E:(11,12)(15,16)/rA:23OCCNCCCCCCCFCCCCCNCCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;s11;d11;s13;s9d14;s6;s3d16;s2;s18;s19;s20;s20s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:652205,PubChemAID:652205,2013.0,PubChemAID:652205,2013,0,0,0,0,1,,=,  4.537,4.537,0.0,0.0,1.0,4.537,0.0
-PEEGZDFBOLCRFF_on_P18507_WT,Low,ChEMBL30,CHEMBL1631469,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1cncnc1,PEEGZDFBOLCRFF,PEEGZDFBOLCRFF-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-8,10,12H,1,3-4,9H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,8,10,18,16,21,25,11,23,20,7,19,15,12,3,2,14,4,1,22,24,13,6,5/E:(3,4)(7,8)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCCNCNC/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1638617;CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  7.920;  8.820,8.37,0.45,0.45,2.0,8.37,0.45
-PEEGZDFBOLCRFF_on_P28472_WT,Low,ChEMBL30,CHEMBL1631469,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1cncnc1,PEEGZDFBOLCRFF,PEEGZDFBOLCRFF-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-8,10,12H,1,3-4,9H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,8,10,18,16,21,25,11,23,20,7,19,15,12,3,2,14,4,1,22,24,13,6,5/E:(3,4)(7,8)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCCNCNC/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1638617;CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  7.920;  8.820,8.37,0.45,0.45,2.0,8.37,0.45
-PEEGZDFBOLCRFF_on_P31644_WT,Low,ChEMBL30,CHEMBL1631469,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1cncnc1,PEEGZDFBOLCRFF,PEEGZDFBOLCRFF-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-8,10,12H,1,3-4,9H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,8,10,18,16,21,25,11,23,20,7,19,15,12,3,2,14,4,1,22,24,13,6,5/E:(3,4)(7,8)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCCNCNC/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1638617,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-PEEGZDFBOLCRFF_on_P47869_WT,Low,ChEMBL30,CHEMBL1631469,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1cncnc1,PEEGZDFBOLCRFF,PEEGZDFBOLCRFF-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-8,10,12H,1,3-4,9H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,8,10,18,16,21,25,11,23,20,7,19,15,12,3,2,14,4,1,22,24,13,6,5/E:(3,4)(7,8)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCCNCNC/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1638618,PMID:20980155,2010.0,PMID:20980155,2010,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-PEGWTPOZAXAEQW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939827,COC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1,PEGWTPOZAXAEQW,PEGWTPOZAXAEQW-UHFFFAOYSA-N,"InChI=1S/C22H16F2N2O4/c1-30-22(29)17-10-16(12-2-5-14(23)6-3-12)15-7-4-13(20(24)21(15)25-17)11-26-18(27)8-9-19(26)28/h2-7,10H,8-9,11H2,1H3","""AuxInfo=1/0/N:1,9,14,17,10,13,16,23,24,6,19,8,18,11,15,7,5,21,25,27,29,3,12,28,30,20,22,26,4,2/E:(2,3)(5,6)(8,9)(18,19)(27,28)/rA:30COCOCCCCCCCFCCCCCCCNCOCCCOCFCN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;d7;s15;d16;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;d18;s27;s15s27;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-PEHGPAJGHGCKOS_on_P41594_WT,High,ChEMBL30,CHEMBL2151498,CC1CCC(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1,PEHGPAJGHGCKOS,PEHGPAJGHGCKOS-UHFFFAOYSA-N,"InChI=1S/C19H22ClN3O2/c1-12-5-7-13(8-6-12)19(24)23-10-15(11-23)18-21-17(22-25-18)14-3-2-4-16(20)9-14/h2-4,9,12-13,15H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,3,25,4,24,20,9,23,2,5,14,10,18,13,11,6,19,12,21,8,7,22/E:(5,6)(7,8)(10,11)/rA:25CCCCCCONCCCNCCCCCCClCNOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;s8s10;s5;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-PEHXWVXZPICGAV_on_P41594_WT,Low,ChEMBL30,CHEMBL88184,NC(Cc1cc(O)no1)C(=O)O,PEHXWVXZPICGAV,PEHXWVXZPICGAV-UHFFFAOYSA-N,"InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,5,4,2,6,10,1,8,7,11,12,9/E:(10,11)/rA:12NCCCCCONOCOO/rB:s1;s2;s3;d4;s5;s6;d6;s4s8;s2;d10;s10;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.310,3.31,0.0,0.0,1.0,3.31,0.0
-PEHXWVXZPICGAV_on_Q13255_WT,Low,ChEMBL30,CHEMBL88184,NC(Cc1cc(O)no1)C(=O)O,PEHXWVXZPICGAV,PEHXWVXZPICGAV-UHFFFAOYSA-N,"InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:3,5,4,2,6,10,1,8,7,11,12,9/E:(10,11)/rA:12NCCCCCONOCOO/rB:s1;s2;s3;d4;s5;s6;d6;s4s8;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.602,3.602,0.0,0.0,1.0,3.602,0.0
-PEJLNQDVFKCPIA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3979539,CN1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CC1(C)C,PEJLNQDVFKCPIA,PEJLNQDVFKCPIA-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-18(2)11-24(17(25)23(18)3)16-21-9-12(10-22-16)4-5-13-8-14(19)6-7-15(13)20/h6-10H,11H2,1-3H3","""AuxInfo=1/0/N:24,25,1,10,11,16,17,13,8,20,22,9,12,14,18,6,3,23,15,19,7,21,2,5,4/E:(1,2)(9,10)(21,22)/rA:25CNCONCNCCCCCCCFCCCFCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s18;s9;s6d20;s5;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-PEJVTOPJOXSAEC_on_Q13255_WT,High,ChEMBL30,CHEMBL3330803,O=c1c2c(ncn1-c1c(Cl)cccc1)c(-c1ccccc1)cs2,PEJVTOPJOXSAEC,PEJVTOPJOXSAEC-UHFFFAOYSA-N,InChI=1S/C18H11ClN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,12,13,17,21,11,14,22,6,16,15,9,8,4,3,2,10,5,7,1,23/E:(2,3)(6,7)/rA:23OCCCNCNCCClCCCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;s9;d11;s12;s8d13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-PELVQDREOGRQCZ_on_P41594_WT,High,ChEMBL30,CHEMBL3603916,Cc1cc(-c2cc(-n3cccn3)ccn2)cc(C#N)c1,PELVQDREOGRQCZ,PELVQDREOGRQCZ-UHFFFAOYSA-N,"InChI=1S/C16H12N4/c1-12-7-13(11-17)9-14(8-12)16-10-15(3-5-18-16)20-6-2-4-19-20/h2-10H,1H3","""AuxInfo=1/0/N:1,10,13,11,14,9,20,3,16,6,18,2,17,4,7,5,19,15,12,8/rA:20CCCCCCCNCCCNCCNCCCNC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;d7;s13;s5d14;d4;s16;s17;t18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566;CHEMBL3606567,PMID:26225459,2015.0,PMID:26225459,2015,0;1,0,0,1;0,0,,=,  7.600;  7.400,7.5,0.1,0.1,2.0,7.5,0.1
-PEMKAJXXEDDMBX_on_P41594_WT,High,ChEMBL30,CHEMBL2151487,Cc1cc(-c2noc(C3CN(C(=O)C4CCC(C(F)(F)F)CC4)C3)n2)ccc1,PEMKAJXXEDDMBX,PEMKAJXXEDDMBX-UHFFFAOYSA-N,"InChI=1S/C20H22F3N3O2/c1-12-3-2-4-14(9-12)17-24-18(28-25-17)15-10-26(11-15)19(27)13-5-7-16(8-6-13)20(21,22)23/h2-4,9,13,15-16H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,27,28,26,15,23,16,22,3,10,24,2,14,4,9,17,5,8,12,18,19,20,21,25,6,11,13,7/E:(5,6)(7,8)(10,11)(21,22,23)/rA:28CCCCCNOCCCNCOCCCCCFFFCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s18;s18;s17;s14s22;s9s11;s5d8;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PEPXYJIHFLPBBZ_on_P41594_WT,High,ChEMBL30,CHEMBL3702453,CC(C)c1cn(C2=NCC(=O)N3CCc4c(nccc4-c4ccc(F)nc4)C3=C2)cn1,PEPXYJIHFLPBBZ,PEPXYJIHFLPBBZ-UHFFFAOYSA-N,"InChI=1S/C23H21FN6O/c1-14(2)18-12-29(13-28-18)21-9-19-23-17(6-8-30(19)22(31)11-27-21)16(5-7-25-23)15-3-4-20(24)26-10-15/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,3,22,23,19,14,18,13,29,27,9,5,30,2,21,20,15,4,28,24,7,10,16,25,17,26,8,31,6,12,11/E:(1,2)/rA:31CCCCCNCNCCONCCCCNCCCCCCCFNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s24;s21d26;s12s16;s7w?28;s6;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-PEPXYJIHFLPBBZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702453,CC(C)c1cn(C2=NCC(=O)N3CCc4c(nccc4-c4ccc(F)nc4)C3=C2)cn1,PEPXYJIHFLPBBZ,PEPXYJIHFLPBBZ-UHFFFAOYSA-N,"InChI=1S/C23H21FN6O/c1-14(2)18-12-29(13-28-18)21-9-19-23-17(6-8-30(19)22(31)11-27-21)16(5-7-25-23)15-3-4-20(24)26-10-15/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,3,22,23,19,14,18,13,29,27,9,5,30,2,21,20,15,4,28,24,7,10,16,25,17,26,8,31,6,12,11/E:(1,2)/rA:31CCCCCNCNCCONCCCCNCCCCCCCFNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s24;s24;s21d26;s12s16;s7w?28;s6;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PETMQCYACHEVSM_on_P31644_WT,High,ChEMBL30,CHEMBL3676498,Cc1c(COc2ccc(C(=O)NC3CCCN(CC(=O)NC4CCOCC4)C3)cn2)c(-c2ccccc2)no1,PETMQCYACHEVSM,PETMQCYACHEVSM-UHFFFAOYSA-N,"InChI=1S/C29H35N5O5/c1-20-25(28(33-39-20)21-6-3-2-4-7-21)19-38-27-10-9-22(16-30-27)29(36)32-24-8-5-13-34(17-24)18-26(35)31-23-11-14-37-15-12-23/h2-4,6-7,9-10,16,23-24H,5,8,11-15,17-19H2,1H3,(H,31,35)(H,32,36)","""AuxInfo=1/1/N:1,35,34,36,15,33,37,14,8,7,23,27,16,24,26,29,28,18,4,2,32,9,22,13,3,19,6,31,10,30,21,12,38,17,20,11,25,5,39/E:(3,4)(6,7)(11,12)(14,15)/rA:39CCCCOCCCCCONCCCCNCCONCCCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;s13s17;s9;s6d29;s3;s31;d32;s33;d34;s35;s32d36;d31;s2s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-PEUXWSARWNDXOQ_on_P41594_WT,High,ChEMBL30,CHEMBL1808882,Cc1c(C2CCCN2C(=O)C2CCS(=O)(=O)C2)cnc(-c2cccc(Cl)c2)c1,PEUXWSARWNDXOQ,PEUXWSARWNDXOQ-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3S/c1-14-10-19(15-4-2-5-17(22)11-15)23-12-18(14)20-6-3-8-24(20)21(25)16-7-9-28(26,27)13-16/h2,4-5,10-12,16,20H,3,6-9,13H2,1H3","""AuxInfo=1/0/N:1,23,6,22,24,5,12,7,13,28,27,18,17,2,21,11,25,3,20,4,9,26,19,8,10,15,16,14/E:(26,27)/CRV:28.6/rA:28CCCCCCCNCOCCCSOOCCNCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;s11;s12;s13;d14;d14;s11s14;s3;d18;s19;s20;d21;s22;d23;s24;s25;s21d25;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  5.160;  5.720,5.44,0.28,0.28,2.0,5.44,0.28
-PEWIYBRBGGSZQS_on_O00591_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_O14764_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P14867_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P18505_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P18507_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P28472_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P31644_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P34903_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P47869_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P47870_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P48169_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_P78334_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_Q16445_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWIYBRBGGSZQS_on_Q99928_WT,Low,ChEMBL30,CHEMBL57741,O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2,PEWIYBRBGGSZQS,PEWIYBRBGGSZQS-UHFFFAOYSA-N,"InChI=1S/C15H9FO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-PEWOHQXTFKSJBB_on_P41594_WT,Low,ChEMBL30,CHEMBL3655612,N#Cc1cc(C(=O)Nc2nc(Oc3ccc(C(F)(F)F)nc3)ccc2)ccc1,PEWOHQXTFKSJBB,PEWOHQXTFKSJBB-UHFFFAOYSA-N,"InChI=1S/C19H11F3N4O2/c20-19(21,22)15-8-7-14(11-24-15)28-17-6-2-5-16(25-17)26-18(27)13-4-1-3-12(9-13)10-23/h1-9,11H,(H,25,26,27)","""AuxInfo=1/1/N:27,24,28,26,25,23,14,15,4,2,22,3,5,13,16,9,11,6,17,18,19,20,1,21,10,8,7,12/E:(20,21,22)/rA:28NCCCCCONCNCOCCCCCFFFNCCCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s12;d13;s14;d15;s16;s17;s17;s17;s16;s13d21;d11;s23;s9d24;d5;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-PEXNVLBTVVVKBD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL108735,NC(C(=O)O)C1C(CC2c3ccccc3Oc3c2cccc3)C1C(=O)O,PEXNVLBTVVVKBD,PEXNVLBTVVVKBD-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:12,20,13,21,11,19,14,22,8,10,18,9,7,15,17,6,23,2,24,3,1,25,26,4,5,16/E:(1,2)(3,4)(5,6)(7,8)(10,11)(14,15)(22,23)(24,25)/rA:26NCCOOCCCCCCCCCCOCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s15;s16;s9d17;s18;d19;s20;s17d21;s6s7;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718204;CHEMBL718219,PMID:11720869,2001.0,PMID:11720869,2001,1;0,0,0,0;1,0,,=,  5.190;  5.570,5.38,0.19,0.19,2.0,5.38,0.19
-PEXVMHLARUAHNC_on_O00222_WT,High,ChEMBL30,CHEMBL4081842;CHEMBL3114672;CHEMBL4085558;CHEMBL3114672,COc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1,PEXVMHLARUAHNC,PEXVMHLARUAHNC-UHFFFAOYSA-N,"InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,21,12,20,7,5,22,23,13,8,9,15,16,2,14/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:24COCCOCN+OO-CCCOPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037499;CHEMBL4037499;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.750;  4.710;  4.580;  4.180,4.555,0.225,0.13,4.0,4.645,0.085
-PEXVMHLARUAHNC_on_O15303_WT,High,ChEMBL30,CHEMBL3114672;CHEMBL3114672;CHEMBL4085558;CHEMBL4081842,COc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)cc([N+](=O)[O-])c1O,PEXVMHLARUAHNC,PEXVMHLARUAHNC-UHFFFAOYSA-N,"InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:1,12,11,18,4,5,13,19,3,23,15,6,14,20,24,16,17,7,21,22,9,10,2,8/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:24COCCCCOPOOCCCNCOOCCN+OO-CO/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;d5;s18;s19;d20;s20;s3d19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037496;CHEMBL4037500;CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.500;  5.770;  5.620;  5.960,5.712999999999999,0.172,0.099,4.0,5.695,0.135
-PEXVMHLARUAHNC_on_Q14831_WT,High,ChEMBL30,CHEMBL4081842;CHEMBL4085558;CHEMBL3114672,COc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1,PEXVMHLARUAHNC,PEXVMHLARUAHNC-UHFFFAOYSA-N,"InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,21,12,20,7,5,22,23,13,8,9,15,16,2,14/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:24COCCOCN+OO-CCCOPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501;CHEMBL4037501;CHEMBL4037497,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.200;  4.000;  4.280,4.16,0.11800000000000001,0.083,3.0,4.2,0.08
-PEXVMHLARUAHNC_on_Q14833_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB;ChEMBL30;ChEMBL30,CHEMBL4081842;CHEMBL4085558;CHEMBL3114672;CHEMBL3114672;46898088;CHEMBL3114672;CHEMBL3114672,COc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1,PEXVMHLARUAHNC,PEXVMHLARUAHNC-UHFFFAOYSA-N,"InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:1,18,17,10,24,11,19,6,3,4,21,12,20,7,5,22,23,13,8,9,15,16,2,14/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:24COCCOCN+OO-CCCOPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;s12;d14;s14;s14;s17;s18;s19;s19;d21;s21;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037498;CHEMBL4037498;CHEMBL4037495;PubChemAID:1067452;CHEMBL3117673;CHEMBL3117672,PubChemAID:1067452,2014.0,PMID:29397723;PMID:29397723;PMID:29397723;PMID:29397723;PubChemAID:1067452;PMID:24900783;PMID:24900783,2018;2018;2018;2018;2014;2014;2014,0;0;0;0;0;0;1,1;1;1;1;0;1;0,0,0,0;0;0;0;1;0;0,,=,  6.140;  5.360;  6.050;  5.660;  5.066;  5.820;  5.070,5.595,0.409,0.16699999999999998,7.0,5.66,0.39
-PEZKUDLLGKVRNY_on_Q05586_WT,Low,ChEMBL30,CHEMBL1223845,O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)SC1=Cc1ccc(O)cc1,PEZKUDLLGKVRNY,PEZKUDLLGKVRNY-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2S/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)20-22-19(26)18(27-20)13-14-1-7-17(25)8-2-14/h1-8,13,25H,9-12H2","""AuxInfo=1/0/N:22,27,11,14,10,15,23,26,7,16,6,17,20,21,12,9,24,19,2,4,13,3,8,5,25,1,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:27OCNCNCCNCCCCFCCCCSCCCCCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-PEZKUDLLGKVRNY_on_Q13224_WT,Low,ChEMBL30,CHEMBL1223845,O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)SC1=Cc1ccc(O)cc1,PEZKUDLLGKVRNY,PEZKUDLLGKVRNY-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2S/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)20-22-19(26)18(27-20)13-14-1-7-17(25)8-2-14/h1-8,13,25H,9-12H2","""AuxInfo=1/0/N:22,27,11,14,10,15,23,26,7,16,6,17,20,21,12,9,24,19,2,4,13,3,8,5,25,1,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:27OCNCNCCNCCCCFCCCCSCCCCCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-PFAUXAQOEJBLRX_on_P14867_WT,Low,ChEMBL30,CHEMBL48782,Cc1csc(-c2cc(-c3nn(C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,PFAUXAQOEJBLRX,PFAUXAQOEJBLRX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,12,23,22,18,14,19,24,13,7,21,3,2,17,8,6,16,9,15,5,26,20,28,10,11,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s11;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-PFAUXAQOEJBLRX_on_P18507_WT,Low,ChEMBL30,CHEMBL48782,Cc1csc(-c2cc(-c3nn(C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,PFAUXAQOEJBLRX,PFAUXAQOEJBLRX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,12,23,22,18,14,19,24,13,7,21,3,2,17,8,6,16,9,15,5,26,20,28,10,11,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s11;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.700;  8.000,7.85,0.15,0.15,2.0,7.85,0.15
-PFAUXAQOEJBLRX_on_P28472_WT,Low,ChEMBL30,CHEMBL48782,Cc1csc(-c2cc(-c3nn(C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,PFAUXAQOEJBLRX,PFAUXAQOEJBLRX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,12,23,22,18,14,19,24,13,7,21,3,2,17,8,6,16,9,15,5,26,20,28,10,11,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s11;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.000;  7.700,7.85,0.15,0.15,2.0,7.85,0.15
-PFAUXAQOEJBLRX_on_P34903_WT,Low,ChEMBL30,CHEMBL48782,Cc1csc(-c2cc(-c3nn(C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,PFAUXAQOEJBLRX,PFAUXAQOEJBLRX-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,12,23,22,18,14,19,24,13,7,21,3,2,17,8,6,16,9,15,5,26,20,28,10,11,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;s11;s11;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-PFDLBWJBXLJGAG_on_P41594_WT,High,ChEMBL30,CHEMBL2153789,Cc1nc(NC(=O)c2nc(C)c(-c3ccccn3)c3c2[nH]cc3)ccc1,PFDLBWJBXLJGAG,PFDLBWJBXLJGAG-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-12-6-5-8-16(23-12)25-20(26)19-18-14(9-11-22-18)17(13(2)24-19)15-7-3-4-10-21-15/h3-11,22H,1-2H3,(H,23,25,26)","""AuxInfo=1/1/N:1,11,15,16,25,26,14,24,23,17,22,2,10,19,13,4,12,20,8,6,18,21,3,9,5,7/rA:26CCNCNCOCNCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;d13;s14;d15;s16;s13d17;s12;s8d19;s20;s21;s19d22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-PFJHXYJLEIZLGQ_on_P14867_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-PFJHXYJLEIZLGQ_on_P18507_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863774;CHEMBL863773;CHEMBL863772;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.350;  8.460;  9.170;  8.570,8.637,0.317,0.183,4.0,8.515,0.11
-PFJHXYJLEIZLGQ_on_P28472_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863773;CHEMBL863774;CHEMBL863772;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.460;  8.350;  9.170;  8.570,8.637,0.317,0.183,4.0,8.515,0.11
-PFJHXYJLEIZLGQ_on_P31644_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-PFJHXYJLEIZLGQ_on_P34903_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-PFJHXYJLEIZLGQ_on_P47869_WT,Low,ChEMBL30,CHEMBL203897,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1,PFJHXYJLEIZLGQ,PFJHXYJLEIZLGQ-UHFFFAOYSA-N,"InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,17,20,9,28,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-PFJJRBBDPVGGQD_on_Q14416_WT,High,ChEMBL30,CHEMBL3884532,FC(F)(F)c1c(OC2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,PFJJRBBDPVGGQD,PFJJRBBDPVGGQD-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O/c24-23(25,26)21-19(12-13-29-20(14-15-6-7-15)27-28-22(21)29)30-18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-5,12-13,15,17-18H,6-11,14H2","""AuxInfo=1/0/N:15,14,16,13,17,26,27,10,18,9,19,20,21,24,25,12,11,8,6,23,5,30,2,1,3,4,28,29,22,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(24,25,26)/rA:30FCFFCCOCCCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;s8s18;s6;d20;s21;s22;s23;s24;s25;s25s26;d23;s28;s5s22d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-PFJXDSCINSDBBU_on_P41594_WT,High,ChEMBL30,CHEMBL3917586,O=C1NC(c2cncc(C#CC3CCCC3)c2)C(c2cc(F)ccc2)O1,PFJXDSCINSDBBU,PFJXDSCINSDBBU-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O2/c22-18-7-3-6-16(11-18)20-19(24-21(25)26-20)17-10-15(12-23-13-17)9-8-14-4-1-2-5-14/h3,6-7,10-14,19-20H,1-2,4-5H2,(H,24,25)","""AuxInfo=1/1/N:14,15,24,13,16,25,23,11,10,17,20,8,6,12,9,19,5,21,4,18,2,22,7,3,1,26/E:(1,2)(4,5)/rA:26OCNCCCNCCCCCCCCCCCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s12s15;s5d9;s4;s18;d19;s20;s21;d21;s23;s19d24;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  7.770;  7.600,7.685,0.085,0.085,2.0,7.685,0.085
-PFKBTYIOBXMJNI_on_Q14416_WT,High,ChEMBL30,CHEMBL339714,Cn1c(CN2CCN(c3ccccn3)CC2)nc2c1cccc2,PFKBTYIOBXMJNI,PFKBTYIOBXMJNI-UHFFFAOYSA-N,"InChI=1S/C18H21N5/c1-21-16-7-3-2-6-15(16)20-18(21)14-22-10-12-23(13-11-22)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,22,21,11,12,23,20,10,13,6,16,7,15,4,18,19,9,3,14,17,2,5,8/E:(10,11)(12,13)/rA:23CNCCNCCNCCCCCNCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;d3;s17;s2d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-PFKFGKXVMKQDJI_on_Q13255_WT,High,ChEMBL30,CHEMBL241547,CNc1c2c(ncc1Br)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,PFKFGKXVMKQDJI,PFKFGKXVMKQDJI-UHFFFAOYSA-N,"InChI=1S/C16H10BrClN4OS/c1-19-12-10(17)6-20-15-11(12)13-14(24-15)16(23)22(7-21-13)9-4-2-8(18)3-5-9/h2-7H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,18,21,17,22,7,14,19,16,8,4,3,12,11,5,23,9,20,2,6,13,15,24,10/E:(2,3)(4,5)/rA:24CNCCCNCCBrSCCNCNCCCCClCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s5;s10;s4d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-PFKGLLNLLQFKKB_on_P41594_WT,High,ChEMBL30,CHEMBL3702432,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,PFKGLLNLLQFKKB,PFKGLLNLLQFKKB-UHFFFAOYSA-N,"InChI=1S/C24H22FN5O2/c1-32-10-8-17-14-29(15-28-17)23-11-21-20-4-2-3-18(16-5-6-22(25)26-12-16)19(20)7-9-30(21)24(31)13-27-23/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,19,20,18,23,24,15,4,14,3,30,28,10,6,31,22,5,21,16,17,29,25,8,11,26,27,9,32,7,13,12,2/rA:32COCCCCNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s25;s25;s22d27;s13s17;s8w?29;s7;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-PFKGLLNLLQFKKB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702432,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,PFKGLLNLLQFKKB,PFKGLLNLLQFKKB-UHFFFAOYSA-N,"InChI=1S/C24H22FN5O2/c1-32-10-8-17-14-29(15-28-17)23-11-21-20-4-2-3-18(16-5-6-22(25)26-12-16)19(20)7-9-30(21)24(31)13-27-23/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,19,20,18,23,24,15,4,14,3,30,28,10,6,31,22,5,21,16,17,29,25,8,11,26,27,9,32,7,13,12,2/rA:32COCCCCNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s25;s25;s22d27;s13s17;s8w?29;s7;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PFKWBHOBGFIHNI_on_P41594_WT,High,ChEMBL30,CHEMBL3644408,COC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CC4)c3)C=C21,PFKWBHOBGFIHNI,PFKWBHOBGFIHNI-UHFFFAOYSA-N,"InChI=1S/C21H20N4O3/c1-28-21(27)16-4-2-3-15-14(16)7-8-25-18(15)9-19(22-10-20(25)26)24-11-17(23-12-24)13-5-6-13/h2-4,9,11-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,8,6,24,25,11,12,27,16,26,20,23,10,9,5,22,28,18,14,3,17,21,19,13,15,4,2/E:(5,6)/rA:28COCOCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-PFKWBHOBGFIHNI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644408,COC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CC4)c3)C=C21,PFKWBHOBGFIHNI,PFKWBHOBGFIHNI-UHFFFAOYSA-N,"InChI=1S/C21H20N4O3/c1-28-21(27)16-4-2-3-15-14(16)7-8-25-18(15)9-19(22-10-20(25)26)24-11-17(23-12-24)13-5-6-13/h2-4,9,11-13H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,8,6,24,25,11,12,27,16,26,20,23,10,9,5,22,28,18,14,3,17,21,19,13,15,4,2/E:(5,6)/rA:28COCOCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-PFNFFQXMRSDOHW_on_Q13224_WT,Low,ChEMBL30,CHEMBL23194,NCCCNCCCCNCCCN,PFNFFQXMRSDOHW,PFNFFQXMRSDOHW-UHFFFAOYSA-N,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2","""AuxInfo=1/0/N:7,8,3,12,2,13,6,9,4,11,1,14,5,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14NCCCNCCCCNCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309010;CHEMBL4309017,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  3.896;  3.903,3.8989999999999996,0.004,0.004,2.0,3.8989999999999996,0.004
-PFNGYTYZBUERCF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108588,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1OC(F)F,PFNGYTYZBUERCF,PFNGYTYZBUERCF-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-12-8-15(9-16(28-12)21(24)25)20-17-6-7-32-13(2)11-30(17)22(29-20)14-4-5-18(33-23(26)27)19(10-14)31-3/h4-5,8-10,13,21,23H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:12,24,1,27,28,20,21,10,18,4,25,11,23,5,9,14,19,29,3,8,15,6,31,16,17,32,33,13,7,26,2,22,30/E:(24,25)(26,27)/rA:33COCCCCNCCCCCNCCFFCCCCOCCCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s23;s6s19s25;d5;s27;s3d28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PFNHJZNUOHOVJT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3964592,O=C(Nc1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)nc1)c1ccccn1,PFNHJZNUOHOVJT,PFNHJZNUOHOVJT-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2N4O3S/c16-10-4-5-12(17)14(7-10)25(23,24)21-9-11(8-19-21)20-15(22)13-3-1-2-6-18-13/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,14,15,24,11,19,5,12,4,16,20,10,2,13,17,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCClCCCClNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s12;d12;s14;s10d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-PFPZLALCGJVWCA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684239,O=C1NCc2c1ccc(C#Cc1cccc(F)c1)c2,PFPZLALCGJVWCA,PFPZLALCGJVWCA-UHFFFAOYSA-N,"InChI=1S/C16H10FNO/c17-14-3-1-2-11(9-14)4-5-12-6-7-15-13(8-12)10-18-16(15)19/h1-3,6-9H,10H2,(H,18,19)","""AuxInfo=1/1/N:14,13,15,11,10,8,7,19,18,4,12,9,5,16,6,2,17,3,1/rA:19OCNCCCCCCCCCCCCCFCC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-PFRNKLACBZOGIV_on_P31644_WT,High,ChEMBL30,CHEMBL3652869,CC1=NN=C(c2cc3c(cccc3)s2)c2c(cc3nc(O)oc3c2)C1,PFRNKLACBZOGIV,PFRNKLACBZOGIV-UHFFFAOYSA-N,"InChI=1S/C19H13N3O2S/c1-10-6-12-7-14-15(24-19(23)20-14)9-13(12)18(22-21-10)17-8-11-4-2-3-5-16(11)25-17/h2-5,7-9H,6H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,12,11,13,10,25,17,7,24,2,8,16,15,18,23,9,6,5,20,19,3,4,21,22,14/rA:25CCNNCCCCCCCCCSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;d8;s9;d10;s11;s8d12;s6s9;s5;d15;s16;d17;s18;d19;s20;s20;s18s22;s15d23;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705380,PATENT:US8778932B2,2014.0,PATENT:US8778932B2,2014,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-PFSCOMOMUBXDBR_on_P14867_WT,Low,ChEMBL30,CHEMBL299133,CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PFSCOMOMUBXDBR,PFSCOMOMUBXDBR-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,13,14,5,17,2,12,20,19,6,7,8,11,16,15,9,4,18,3,10/E:(6,7)/rA:24CCONCCCCNOCCCCNNCNCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;s12s13;s8d11;s7;d16;s6s17;s18;s4d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-PFSCOMOMUBXDBR_on_P18507_WT,Low,ChEMBL30,CHEMBL299133,CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PFSCOMOMUBXDBR,PFSCOMOMUBXDBR-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,13,14,5,17,2,12,20,19,6,7,8,11,16,15,9,4,18,3,10/E:(6,7)/rA:24CCONCCCCNOCCCCNNCNCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;s12s13;s8d11;s7;d16;s6s17;s18;s4d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678632;CHEMBL685346,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.570;  6.910,7.74,0.83,0.83,2.0,7.74,0.83
-PFSCOMOMUBXDBR_on_P47870_WT,Low,ChEMBL30,CHEMBL299133,CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PFSCOMOMUBXDBR,PFSCOMOMUBXDBR-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,13,14,5,17,2,12,20,19,6,7,8,11,16,15,9,4,18,3,10/E:(6,7)/rA:24CCONCCCCNOCCCCNNCNCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;s12s13;s8d11;s7;d16;s6s17;s18;s4d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685346;CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  6.910;  8.570,7.74,0.83,0.83,2.0,7.74,0.83
-PFSCOMOMUBXDBR_on_Q16445_WT,Low,ChEMBL30,CHEMBL299133,CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PFSCOMOMUBXDBR,PFSCOMOMUBXDBR-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,13,14,5,17,2,12,20,19,6,7,8,11,16,15,9,4,18,3,10/E:(6,7)/rA:24CCONCCCCNOCCCCNNCNCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;s12s13;s8d11;s7;d16;s6s17;s18;s4d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685346,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-PFUAWQGDUFOVII_on_P41594_WT,High,ChEMBL30,CHEMBL1289785,O=C(CCCc1ccncc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1,PFUAWQGDUFOVII,PFUAWQGDUFOVII-UHFFFAOYSA-N,"InChI=1S/C19H21Cl2N3O/c20-16-4-5-18(17(21)14-16)23-10-12-24(13-11-23)19(25)3-1-2-15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2","""AuxInfo=1/0/N:4,5,3,22,23,7,11,8,10,14,24,13,25,19,6,20,17,16,2,21,18,9,15,12,1/E:(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCCNCCNCCNCCClCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;s17;d19;s20;s20;s16d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-PFUZMPXTFKEIQR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76325409;CHEMBL3122208,Cn1nc(-c2ccccn2)c2c1nc(OCc1ccccn1)cc2,PFUZMPXTFKEIQR,PFUZMPXTFKEIQR-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3","""AuxInfo=1/0/N:1,19,7,20,8,18,6,24,23,21,9,16,17,11,5,14,4,12,22,10,13,3,2,15/rA:24CNNCCCCCCNCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1071426;CHEMBL3124717,PMID:24392688,2014.0,PubChemAID:1071426;PMID:24392688,2014,0,0,0,0;1,1;0,,=,  8.301;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-PFVXFJJFVXQNFL_on_P41594_WT,Low,ChEMBL30,CHEMBL400110,Cc1nc2c(cnn2C2CCCCCC2)c(=O)n1-c1ccc(Cl)cc1,PFVXFJJFVXQNFL,PFVXFJJFVXQNFL-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c1-13-22-18-17(12-21-24(18)16-6-4-2-3-5-7-16)19(25)23(13)15-10-8-14(20)9-11-15/h8-12,16H,2-7H2,1H3","""AuxInfo=1/0/N:1,12,13,11,14,10,15,21,24,20,25,6,2,22,19,9,5,4,16,23,7,3,18,8,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:25CCNCCCNNCCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;s13;s9s14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PFVXFJJFVXQNFL_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL400110;44442426,Cc1nc2c(cnn2C2CCCCCC2)c(=O)n1-c1ccc(Cl)cc1,PFVXFJJFVXQNFL,PFVXFJJFVXQNFL-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c1-13-22-18-17(12-21-24(18)16-6-4-2-3-5-7-16)19(25)23(13)15-10-8-14(20)9-11-15/h8-12,16H,2-7H2,1H3","""AuxInfo=1/0/N:1,12,13,11,14,10,15,21,24,20,25,6,2,22,19,9,5,4,16,23,7,3,18,8,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:25CCNCCCNNCCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;s13;s9s14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251;PubChemAID:308215,PMID:17532216,2007.0,PMID:17532216;PubChemAID:308215,2007;2010,1;0,0,0,0,0;1,,=,  6.280;  6.284,6.282,0.002,0.002,2.0,6.282,0.002
-PFYFLEHOHOPGQY_on_P41594_WT,High,ChEMBL30,CHEMBL3702399,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccc4)C3=C2)c1,PFYFLEHOHOPGQY,PFYFLEHOHOPGQY-UHFFFAOYSA-N,"InChI=1S/C26H22N2O2/c1-30-20-10-5-9-19(15-20)24-16-25-23-12-6-11-21(18-7-3-2-4-8-18)22(23)13-14-28(25)26(29)17-27-24/h2-12,15-16H,13-14,17H2,1H3","""AuxInfo=1/0/N:1,25,24,26,5,19,23,27,6,4,20,18,15,14,30,29,10,22,7,3,21,16,17,8,28,11,9,13,12,2/E:(3,4)(7,8)/rA:30COCCCCCCNCCONCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s25;s22d26;s13s17;s8w?28;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-PFYFLEHOHOPGQY_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702399,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccc4)C3=C2)c1,PFYFLEHOHOPGQY,PFYFLEHOHOPGQY-UHFFFAOYSA-N,"InChI=1S/C26H22N2O2/c1-30-20-10-5-9-19(15-20)24-16-25-23-12-6-11-21(18-7-3-2-4-8-18)22(23)13-14-28(25)26(29)17-27-24/h2-12,15-16H,13-14,17H2,1H3","""AuxInfo=1/0/N:1,25,24,26,5,19,23,27,6,4,20,18,15,14,30,29,10,22,7,3,21,16,17,8,28,11,9,13,12,2/E:(3,4)(7,8)/rA:30COCCCCCCNCCONCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s25;s22d26;s13s17;s8w?28;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PFZUQESQYBPRGB_on_P18507_WT,Low,ChEMBL30,CHEMBL1783272,CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,PFZUQESQYBPRGB,PFZUQESQYBPRGB-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-10-11(27-2)5-8-15(13)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,16,21,2,17,25,24,18,3,13,14,26,12,22,19,11,27,10,7,5,23,28,4,9,8,6,15,20/rA:28CCCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s15;d14;s17;s12d18;s19;s20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.790,8.79,0.0,0.0,1.0,8.79,0.0
-PFZUQESQYBPRGB_on_P28472_WT,Low,ChEMBL30,CHEMBL1783272,CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,PFZUQESQYBPRGB,PFZUQESQYBPRGB-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-10-11(27-2)5-8-15(13)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,16,21,2,17,25,24,18,3,13,14,26,12,22,19,11,27,10,7,5,23,28,4,9,8,6,15,20/rA:28CCCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s15;d14;s17;s12d18;s19;s20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.790,8.79,0.0,0.0,1.0,8.79,0.0
-PFZUQESQYBPRGB_on_P47869_WT,Low,ChEMBL30,CHEMBL1783272,CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N,PFZUQESQYBPRGB,PFZUQESQYBPRGB-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-10-11(27-2)5-8-15(13)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,16,21,2,17,25,24,18,3,13,14,26,12,22,19,11,27,10,7,5,23,28,4,9,8,6,15,20/rA:28CCCNCOCNNCCCCCOCCCCOCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s15;d14;s17;s12d18;s19;s20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.790,8.79,0.0,0.0,1.0,8.79,0.0
-PGCHIYFRNQWREH_on_P31644_WT,High,ChEMBL30,CHEMBL3681528,Cc1c(COc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)cn2)c(-c2ccccc2)no1,PGCHIYFRNQWREH,PGCHIYFRNQWREH-UHFFFAOYSA-N,"InChI=1S/C26H23N3O5/c1-17-21(24(29-34-17)19-10-6-3-7-11-19)16-33-23-13-12-20(15-27-23)25(30)28-22(26(31)32)14-18-8-4-2-5-9-18/h2-13,15,22H,14,16H2,1H3,(H,28,30)(H,31,32)","""AuxInfo=1/1/N:1,18,30,17,19,29,31,16,20,28,32,8,7,14,24,4,2,15,27,9,3,13,6,26,10,21,25,12,33,11,22,23,5,34/E:(4,5)(6,7)(8,9)(10,11)(31,32)/rA:34CCCCOCCCCCONCCCCCCCCCOOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;d21;s21;s9;s6d24;s3;s26;d27;s28;d29;s30;s27d31;d26;s2s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-PGCQGWUZKPJYHQ_on_P41594_WT,High,ChEMBL30,CHEMBL3896864,O=C1CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1,PGCQGWUZKPJYHQ,PGCQGWUZKPJYHQ-UHFFFAOYSA-N,"InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-6-13(10-22-11-15)5-4-12-7-17(24)8-12/h1-3,6,9-12,18-19H,7-8H2,(H,23,25)","""AuxInfo=1/1/N:20,19,21,5,6,25,3,26,24,8,10,4,7,18,11,22,2,12,17,14,23,9,13,1,15,16/E:(7,8)/rA:26OCCCCCCCNCCCNCOOCCCCCCFCCC/rB:d1;s2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s14;s12s16;s17;d18;s19;d20;s21;s22;s18d22;s7d11;s2s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-PGDDLNGALMYVNU_on_O15399_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_O60391_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_Q05586_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_Q12879_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_Q13224_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDDLNGALMYVNU_on_Q14957_WT,Low,ChEMBL30,CHEMBL12706,O=C(O)Cc1c2nc(O)c(O)nc2ccc1,PGDDLNGALMYVNU,PGDDLNGALMYVNU-UHFFFAOYSA-N,"InChI=1S/C10H8N2O4/c13-7(14)4-5-2-1-3-6-8(5)12-10(16)9(15)11-6/h1-3H,4H2,(H,11,15)(H,12,16)(H,13,14)","""AuxInfo=1/1/N:15,16,14,4,5,13,2,6,10,8,12,7,1,3,11,9/E:(13,14)/rA:16OCOCCCNCOCONCCCC/rB:d1;s2;s2;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-PGDZTLDIKMARHN_on_P41594_WT,High,ChEMBL30,CHEMBL3597595,Cc1nc(C#CC=C2CCN(c3ccccc3)CC2)ccc1,PGDZTLDIKMARHN,PGDZTLDIKMARHN-UHFFFAOYSA-N,"InChI=1S/C20H20N2/c1-17-7-5-9-19(21-17)10-6-8-18-13-15-22(16-14-18)20-11-3-2-4-12-20/h2-5,7-9,11-12H,13-16H2,1H3","""AuxInfo=1/0/N:1,15,14,16,21,6,22,7,20,5,13,17,9,19,10,18,2,8,4,12,3,11/E:(3,4)(11,12)(13,14)(15,16)/rA:22CCNCCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;s8s18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  7.540;  7.260,7.4,0.14,0.14,2.0,7.4,0.14
-PGGCRGAETLNAJC_on_O00591_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_O14764_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_O15399_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_O60391_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P14867_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P18505_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P18507_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P28472_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P31644_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P34903_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P47869_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P47870_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P48169_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_P78334_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q05586_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q12879_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q13224_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q14957_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL861547,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q16445_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGCRGAETLNAJC_on_Q99928_WT,Low,ChEMBL30,CHEMBL426317,COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1,PGGCRGAETLNAJC,PGGCRGAETLNAJC-UHFFFAOYSA-N,"InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3","""AuxInfo=1/0/N:20,1,11,12,26,25,27,10,13,8,23,7,24,4,16,5,3,17,21,15,19,9,6,14,18,22,2/E:(10,11)(12,13)/rA:27COCCCNCCNCCCCNNCCONCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s17;s19;s14s19;d21;s9;s6s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL861230,PMID:16458504,2006.0,PMID:16458504,2006,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGGMADFPEZJSMA_on_O15399_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_O60391_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_Q05586_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_Q12879_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_Q13224_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGGMADFPEZJSMA_on_Q14957_WT,Low,ChEMBL30,CHEMBL296521,O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2,PGGMADFPEZJSMA,PGGMADFPEZJSMA-UHFFFAOYSA-N,"InChI=1S/C11H9N3O4/c15-10-11(16)13-8-7(12-10)4-5-2-1-3-6(5)9(8)14(17)18/h4H,1-3H2,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:7,8,6,10,9,5,11,12,4,16,14,18,13,2,17,15,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCCCCCCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s5s8;d9;s10;s4d11;s12;d13;s14;s14;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PGKLIZKBSJEMLX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3984752,Cc1c(S(=O)(=O)Cc2ccc(C(C)C)cc2)sc(NC(=O)c2ccccn2)n1,PGKLIZKBSJEMLX,PGKLIZKBSJEMLX-UHFFFAOYSA-N,"InChI=1S/C20H21N3O3S2/c1-13(2)16-9-7-15(8-10-16)12-28(25,26)19-14(3)22-20(27-19)23-18(24)17-6-4-5-11-21-17/h4-11,13H,12H2,1-3H3,(H,22,23,24)","""AuxInfo=1/1/N:13,14,1,24,25,23,9,16,10,15,26,7,12,2,8,11,22,20,3,18,27,28,19,21,5,6,17,4/E:(1,2)(7,8)(9,10)(25,26)/CRV:28.6/rA:28CCCSOOCCCCCCCCCCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s12;s12;s11;s8d15;s3;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-PGNMOQBXAOWKIH_on_P41594_WT,High,ChEMBL30,CHEMBL3702384,COc1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)ccn1,PGNMOQBXAOWKIH,PGNMOQBXAOWKIH-UHFFFAOYSA-N,"InChI=1S/C19H16IN3O2/c1-25-18-9-12(5-7-21-18)16-10-17-14-3-2-4-15(20)13(14)6-8-23(17)19(24)11-22-16/h2-5,7,9-10H,6,8,11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,23,13,24,12,4,22,8,5,14,15,19,6,21,3,9,20,25,7,11,10,2/rA:25COCCCCNCCONCCCCCCCCICCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-PGNMOQBXAOWKIH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702384,COc1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)ccn1,PGNMOQBXAOWKIH,PGNMOQBXAOWKIH-UHFFFAOYSA-N,"InChI=1S/C19H16IN3O2/c1-25-18-9-12(5-7-21-18)16-10-17-14-3-2-4-15(20)13(14)6-8-23(17)19(24)11-22-16/h2-5,7,9-10H,6,8,11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,23,13,24,12,4,22,8,5,14,15,19,6,21,3,9,20,25,7,11,10,2/rA:25COCCCCNCCONCCCCCCCCICCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-PGOKCBLTAMDEAS_on_P41594_WT,High,ChEMBL30,CHEMBL3956458,N#Cc1c(-c2ccccc2)c2c(-c3cc(Cl)ccc3)[nH]nc2nc1-c1ccccc1,PGOKCBLTAMDEAS,PGOKCBLTAMDEAS-UHFFFAOYSA-N,"InChI=1S/C25H15ClN4/c26-19-13-7-12-18(14-19)24-22-21(16-8-3-1-4-9-16)20(15-27)23(28-25(22)30-29-24)17-10-5-2-6-11-17/h1-14H,(H,28,29,30)","""AuxInfo=1/1/N:8,28,7,9,27,29,18,6,10,26,30,19,17,14,2,5,25,13,15,3,4,11,24,12,22,16,1,23,20,21/E:(3,4)(5,6)(8,9)(10,11)/rA:30NCCCCCCCCCCCCCCClCCCNNCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s15;d15;s17;s13d18;s12;s20;s11d21;s22;s3d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-PGPZJLCKPQQOJR_on_P41594_WT,Low,ChEMBL30,CHEMBL186220,N#Cc1cccc(-c2cn(-c3ncccc3)nn2)c1,PGPZJLCKPQQOJR,PGPZJLCKPQQOJR-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)13-10-19(18-17-13)14-6-1-2-7-16-14/h1-8,10H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,9,3,7,8,11,1,12,18,17,10/rA:19NCCCCCCCCNCNCCCCNNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGQHBKUGTNSEQE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108997,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1Cl,PGQHBKUGTNSEQE,PGQHBKUGTNSEQE-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O2/c1-13-10-15(6-8-23-13)20-18-7-9-27-14(2)12-25(18)21(24-20)16-4-5-17(22)19(11-16)26-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:14,21,1,24,25,10,17,11,18,15,4,22,13,20,9,5,26,16,3,8,6,27,12,7,23,2,19/rA:27COCCCCNCCCCNCCCCCCOCCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-PGTVWKLGGCQMBR_on_O00591_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGTVWKLGGCQMBR_on_O14764_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGTVWKLGGCQMBR_on_P14867_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822946;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:9016329,1997.0,PMID:9016329;PMID:25799373;PMID:25799373;PMID:25799373,1997;2015;2015;2015,0;1;0;0,1;0;1;1,0,0,0,,=,  6.580;  7.380;  6.580;  6.990,6.882999999999999,0.332,0.192,4.0,6.785,0.205
-PGTVWKLGGCQMBR_on_P18505_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.580;  6.990;  7.380,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P18507_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822946;CHEMBL3430052,PMID:9016329,1997.0,PMID:9016329;PMID:25799373,1997;2015,0;1,1;0,0,0,0,,=,  6.580;  7.380,6.98,0.4,0.4,2.0,6.98,0.4
-PGTVWKLGGCQMBR_on_P28472_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.580;  6.990;  7.380,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P31644_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.580;  6.990;  7.380,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P34903_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.380;  6.990;  6.580,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P47869_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.580;  6.990;  7.380,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P47870_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430053;CHEMBL3430052;CHEMBL3427980;CHEMBL822946,PMID:9016329,1997.0,PMID:25799373;PMID:25799373;PMID:25799373;PMID:9016329,2015;2015;2015;1997,0;1;0;0,1;0;1;1,0,0,0,,=,  6.580;  7.380;  6.990;  6.580,6.882999999999999,0.332,0.192,4.0,6.785,0.205
-PGTVWKLGGCQMBR_on_P48169_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.380;  6.580;  6.990,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_P78334_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGTVWKLGGCQMBR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGTVWKLGGCQMBR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGTVWKLGGCQMBR_on_Q16445_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.990;  6.580;  7.380,6.983,0.327,0.231,3.0,6.99,0.39
-PGTVWKLGGCQMBR_on_Q99928_WT,Low,ChEMBL30,CHEMBL1568698,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,PGTVWKLGGCQMBR,PGTVWKLGGCQMBR-UHFFFAOYSA-N,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3","""AuxInfo=1/0/N:1,14,19,24,10,9,5,6,21,22,16,17,12,2,11,8,4,7,20,13,18,23,3,15/rA:24CCOCCCCCCCCCCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s18;s8s18;s20;s21;s4s7s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-PGXBAMUBKFUSMJ_on_P41594_WT,Low,ChEMBL30,CHEMBL215098,COc1cccc(OCC#Cc2ccncc2)c1,PGXBAMUBKFUSMJ,PGXBAMUBKFUSMJ-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-17-14-5-2-6-15(12-14)18-11-3-4-13-7-9-16-10-8-13/h2,5-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,5,10,11,4,6,13,17,14,16,9,18,12,3,7,15,2,8/E:(7,8)(9,10)/rA:18COCCCCCOCCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PGYVXLQSJJOPNT_on_P41594_WT,Medium,ChEMBL30,CHEMBL362724,Fc1cc(Cc2cnccc2)cc(-n2nnc(-c3ncccc3)n2)c1,PGYVXLQSJJOPNT,PGYVXLQSJJOPNT-UHFFFAOYSA-N,"InChI=1S/C18H13FN6/c19-15-9-14(8-13-4-3-6-20-12-13)10-16(11-15)25-23-18(22-24-25)17-5-1-2-7-21-17/h1-7,9-12H,8H2","""AuxInfo=1/0/N:22,21,10,11,23,9,20,5,3,12,25,7,6,4,2,13,18,17,1,8,19,16,24,15,14/rA:25FCCCCCCNCCCCCNNNCCNCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;d4;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s14d17;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-PHGFZVHWQGRFHO_on_O15399_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_O60391_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHGFZVHWQGRFHO_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365797,N=C(N)NN=Cc1c(-c2ccccc2)cccc1,PHGFZVHWQGRFHO,PHGFZVHWQGRFHO-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c15-14(16)18-17-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H4,15,16,18)","""AuxInfo=1/1/N:12,11,13,17,16,10,14,18,15,6,9,7,8,2,1,3,5,4/E:(2,3)(6,7)(15,16)/rA:18NCNNNCCCCCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PHJJEGUJXVJKOS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3945569,CC1(C)CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)O1,PHJJEGUJXVJKOS,PHJJEGUJXVJKOS-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-9-8-14(11-20-16)7-6-13-4-3-5-15(19)10-13/h3-5,8-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,3,14,13,15,11,10,8,7,18,19,4,12,9,16,6,21,2,17,20,5,22,23/E:(1,2)/rA:23CCCCNCCCCCCCCCCCFCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-PHMFFBVIQSRMJR_on_P31644_WT,High,ChEMBL30,CHEMBL3681634,O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccn2)nc1,PHMFFBVIQSRMJR,PHMFFBVIQSRMJR-UHFFFAOYSA-N,"InChI=1S/C20H20N4O4/c25-20(23-16-6-9-26-10-7-16)14-4-5-18(22-11-14)27-12-15-13-28-24-19(15)17-3-1-2-8-21-17/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,23,25)","""AuxInfo=1/1/N:23,24,22,11,12,5,9,25,6,8,28,15,17,10,16,4,21,13,20,2,26,27,3,19,1,7,14,18/E:(6,7)(9,10)/rA:28OCNCCCOCCCCCCOCCCONCCCCCCNNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s21d25;s13;s10d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-PHMIEAGFDRJBOP_on_P41594_WT,Medium,ChEMBL30,CHEMBL245404,Cc1nc(C#Cc2cc(Cl)ccc2)ccc1,PHMIEAGFDRJBOP,PHMIEAGFDRJBOP-UHFFFAOYSA-N,"InChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3","""AuxInfo=1/0/N:1,15,12,16,13,11,14,6,5,8,2,7,9,4,10,3/rA:16CCNCCCCCCClCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  8.150;  8.520,8.335,0.185,0.185,2.0,8.335,0.185
-PHMXSCYSMAICDA_on_P41594_WT,Low,ChEMBL30,CHEMBL247950,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cccnn1,PHMXSCYSMAICDA,PHMXSCYSMAICDA-UHFFFAOYSA-N,"InChI=1S/C20H13ClN4O3/c21-13-7-8-16(23-18(26)17-6-3-9-22-24-17)12(10-13)11-25-19(27)14-4-1-2-5-15(14)20(25)28/h1-10H,11H2,(H,23,26)","""AuxInfo=1/1/N:18,19,25,17,20,24,6,5,26,9,11,10,7,16,15,4,23,2,21,13,8,27,3,28,12,1,22,14/E:(1,2)(4,5)(14,15)(19,20)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PHOATQSOBKATTD_on_O00591_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_O14764_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P14867_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P18505_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P18507_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P28472_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P31644_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P34903_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P47869_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P47870_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P48169_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_P78334_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_Q16445_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOATQSOBKATTD_on_Q99928_WT,Low,ChEMBL30,CHEMBL330076,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2,PHOATQSOBKATTD,PHOATQSOBKATTD-UHFFFAOYSA-N,"InChI=1S/C15H16FN3O2/c16-9-5-4-7-11-13(9)21-15(18-11)19-12-8-3-1-2-6-10(12)17-14(19)20/h4-5,7,10,12H,1-3,6,8H2,(H,17,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,21,9,17,4,14,10,15,2,12,18,3,13,11,1,16/rA:21OCNCCCCCCCNCNCCOCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PHOJLWGCNQPANY_on_Q13255_WT,High,ChEMBL30,CHEMBL3759878,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)nco1,PHOJLWGCNQPANY,PHOJLWGCNQPANY-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(12(20)7-10)24-18(26)11-3-2-4-13(21)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,23,18,10,15,3,4,12,16,24,19,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCFCCCCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.620;  5.770,6.195,0.425,0.425,2.0,6.195,0.425
-PHOJLWGCNQPANY_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759878,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)nco1,PHOJLWGCNQPANY,PHOJLWGCNQPANY-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(12(20)7-10)24-18(26)11-3-2-4-13(21)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,23,18,10,15,3,4,12,16,24,19,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCFCCCCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PHOZWHFZYNOXQD_on_P31644_WT,High,ChEMBL30,CHEMBL3681466,COC(=O)c1ccc(NCc2c(C)onc2-c2ccccc2)nc1,PHOZWHFZYNOXQD,PHOZWHFZYNOXQD-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-12-15(17(21-24-12)13-6-4-3-5-7-13)11-20-16-9-8-14(10-19-16)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,20)","""AuxInfo=1/1/N:13,1,20,19,21,18,22,6,7,24,10,12,17,5,11,8,16,3,23,9,15,4,2,14/E:(4,5)(6,7)/rA:24COCOCCCCNCCCCONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-PHPSBVJQBZOVEO_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3969227,Clc1cncc(Nc2c3ncccc3n[nH]2)n1,PHPSBVJQBZOVEO,PHPSBVJQBZOVEO-UHFFFAOYSA-N,"InChI=1S/C10H7ClN6/c11-7-4-12-5-8(14-7)15-10-9-6(16-17-10)2-1-3-13-9/h1-5H,(H2,14,15,16,17)","""AuxInfo=1/1/N:12,13,11,3,5,14,2,6,9,8,1,4,10,17,7,15,16/rA:17ClCCNCCNCCNCCCCNNN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PHRWUNRBYPIOOE_on_P41594_WT,High,ChEMBL30,CHEMBL2151501,O=C(C1CCC2(CCC2)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,PHRWUNRBYPIOOE,PHRWUNRBYPIOOE-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O2/c22-17-4-1-3-15(11-17)18-23-19(27-24-18)16-12-25(13-16)20(26)14-5-9-21(10-6-14)7-2-8-21/h1,3-4,11,14,16H,2,5-10,12-13H2","""AuxInfo=1/0/N:20,8,19,21,4,11,7,9,5,10,24,13,27,3,18,14,22,17,15,2,6,23,16,25,12,1,26/E:(5,6)(7,8)(9,10)(12,13)/rA:27OCCCCCCCCCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s7;s6s8;s6;s3s10;s2;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;d17;s15s25;s12s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-PHTVCPQXHIZASR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760313,CNC1(c2c(Cl)cccc2)CCCN(C)C1=O,PHTVCPQXHIZASR,PHTVCPQXHIZASR-UHFFFAOYSA-N,"InChI=1S/C13H17ClN2O/c1-15-13(8-5-9-16(2)12(13)17)10-6-3-4-7-11(10)14/h3-4,6-7,15H,5,8-9H2,1-2H3","""AuxInfo=1/0/N:1,15,9,8,12,10,7,11,13,4,5,16,3,6,2,14,17/rA:17CNCCCClCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s14;s3s14;d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-PHTVCPQXHIZASR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760313,CNC1(c2c(Cl)cccc2)CCCN(C)C1=O,PHTVCPQXHIZASR,PHTVCPQXHIZASR-UHFFFAOYSA-N,"InChI=1S/C13H17ClN2O/c1-15-13(8-5-9-16(2)12(13)17)10-6-3-4-7-11(10)14/h3-4,6-7,15H,5,8-9H2,1-2H3","""AuxInfo=1/0/N:1,15,9,8,12,10,7,11,13,4,5,16,3,6,2,14,17/rA:17CNCCCClCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s14;s3s14;d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-PHTVJNPPTSWZSO_on_O00222_WT,High,ChEMBL30,CHEMBL4071200,CCCCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O,PHTVJNPPTSWZSO,PHTVJNPPTSWZSO-UHFFFAOYSA-N,"InChI=1S/C19H32N3O6P/c1-2-3-4-5-6-7-12-21-18(15-9-8-10-16(14-15)22(25)26)29(27,28)13-11-17(20)19(23)24/h8-10,14,17-18,21H,2-7,11-13,20H2,1H3,(H,23,24)(H,27,28)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,13,12,14,24,8,23,19,11,15,25,10,27,26,9,16,28,29,17,18,21,22,20/E:(23,24)(25,26)(27,28)/CRV:22.5/rA:29CCCCCCCCNCCCCCCN+OO-CPOOCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s15;d16;s16;s11d15;s10;d20;s20;s20;s23;s24;s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-PHTVJNPPTSWZSO_on_Q14833_WT,High,ChEMBL30,CHEMBL4071200,CCCCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O,PHTVJNPPTSWZSO,PHTVJNPPTSWZSO-UHFFFAOYSA-N,"InChI=1S/C19H32N3O6P/c1-2-3-4-5-6-7-12-21-18(15-9-8-10-16(14-15)22(25)26)29(27,28)13-11-17(20)19(23)24/h8-10,14,17-18,21H,2-7,11-13,20H2,1H3,(H,23,24)(H,27,28)","""AuxInfo=1/1/N:1,2,3,4,5,6,7,13,12,14,24,8,23,19,11,15,25,10,27,26,9,16,28,29,17,18,21,22,20/E:(23,24)(25,26)(27,28)/CRV:22.5/rA:29CCCCCCCCNCCCCCCN+OO-CPOOCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s15;d16;s16;s11d15;s10;d20;s20;s20;s23;s24;s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-PHTXEXDUGBXUIJ_on_P41594_WT,High,ChEMBL30,CHEMBL3672915,O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)sc(O)n2,PHTXEXDUGBXUIJ,PHTXEXDUGBXUIJ-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5O2S/c15-8-6-16-12-5-10(18-20(12)7-8)13(21)19-3-1-9-11(2-4-19)23-14(22)17-9/h5-7H,1-4H2,(H,17,22)","""AuxInfo=1/1/N:15,18,14,19,12,9,6,7,16,3,17,11,2,21,8,10,23,4,13,5,1,22,20/rA:23OCCNNCCClCNCCNCCCCCCSCON/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-PHXZSQYQQURPKJ_on_P18507_WT,Low,ChEMBL30,CHEMBL393487,CCCCc1cnnn1-c1ccc(C(F)(F)F)cc1,PHXZSQYQQURPKJ,PHXZSQYQQURPKJ-UHFFFAOYSA-N,"InChI=1S/C13H14F3N3/c1-2-3-4-12-9-17-18-19(12)11-7-5-10(6-8-11)13(14,15)16/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,18,11,19,6,13,10,5,14,15,16,17,7,8,9/E:(5,6)(7,8)(14,15,16)/rA:19CCCCCCNNNCCCCCFFFCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PHXZSQYQQURPKJ_on_P47869_WT,Low,ChEMBL30,CHEMBL393487,CCCCc1cnnn1-c1ccc(C(F)(F)F)cc1,PHXZSQYQQURPKJ,PHXZSQYQQURPKJ-UHFFFAOYSA-N,"InChI=1S/C13H14F3N3/c1-2-3-4-12-9-17-18-19(12)11-7-5-10(6-8-11)13(14,15)16/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,18,11,19,6,13,10,5,14,15,16,17,7,8,9/E:(5,6)(7,8)(14,15,16)/rA:19CCCCCCNNNCCCCCFFFCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PHXZSQYQQURPKJ_on_P47870_WT,Low,ChEMBL30,CHEMBL393487,CCCCc1cnnn1-c1ccc(C(F)(F)F)cc1,PHXZSQYQQURPKJ,PHXZSQYQQURPKJ-UHFFFAOYSA-N,"InChI=1S/C13H14F3N3/c1-2-3-4-12-9-17-18-19(12)11-7-5-10(6-8-11)13(14,15)16/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,18,11,19,6,13,10,5,14,15,16,17,7,8,9/E:(5,6)(7,8)(14,15,16)/rA:19CCCCCCNNNCCCCCFFFCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s14;s14;s14;s13;s10d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PHZLBOTWNAQTGD_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3927518,Fc1cc(F)cc(Nc2c3ncccc3n[nH]2)c1,PHZLBOTWNAQTGD,PHZLBOTWNAQTGD-UHFFFAOYSA-N,"InChI=1S/C12H8F2N4/c13-7-4-8(14)6-9(5-7)16-12-11-10(17-18-12)2-1-3-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:13,14,12,3,6,18,4,2,7,15,10,9,5,1,11,8,16,17/E:(5,6)(7,8)(13,14)/rA:18FCCCFCCNCCNCCCCNNC/rB:s1;d2;s3;s4;d4;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-PIAFQDBMNFVESW_on_P31644_WT,High,ChEMBL30,CHEMBL3681633,CC(NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1)C(F)(F)F,PIAFQDBMNFVESW,PIAFQDBMNFVESW-UHFFFAOYSA-N,"InChI=1S/C19H15ClF3N3O3/c1-11(19(21,22)23)25-18(27)13-4-7-16(24-8-13)28-9-14-10-29-26-17(14)12-2-5-15(20)6-3-12/h2-8,10-11H,9H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,18,23,7,19,22,8,25,11,13,2,17,6,12,20,9,16,4,26,21,27,28,29,24,3,15,5,10,14/E:(2,3)(5,6)(21,22,23)/rA:29CCNCOCCCCOCCCONCCCCCClCCNCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;d19;s20;s20;s17d22;s9;s6d24;s2;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-PICPHNNZLXDLOF_on_P14867_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PICPHNNZLXDLOF_on_P18507_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-PICPHNNZLXDLOF_on_P28472_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-PICPHNNZLXDLOF_on_P31644_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-PICPHNNZLXDLOF_on_P34903_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PICPHNNZLXDLOF_on_P47869_WT,Low,ChEMBL30,CHEMBL123078,Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1,PICPHNNZLXDLOF,PICPHNNZLXDLOF-UHFFFAOYSA-N,"InChI=1S/C21H22N8O/c1-12-4-3-5-15(23-12)10-30-21-17-14-8-6-13(7-9-14)16(17)19-24-25-20(29(19)27-21)18-22-11-28(2)26-18/h3-5,11,13-14H,6-10H2,1-2H3","""AuxInfo=1/0/N:1,16,4,3,5,26,28,25,29,7,17,2,27,24,6,22,23,13,21,12,9,18,30,20,19,14,10,15,11,8/E:(6,7)(8,9)/rA:30CCCCCCCOCNNCCNNCCNNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PIEKWJZOMYWPNZ_on_P41594_WT,High,ChEMBL30,CHEMBL406954,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ncccc2)n1,PIEKWJZOMYWPNZ,PIEKWJZOMYWPNZ-UHFFFAOYSA-N,"InChI=1S/C16H10F3N3/c1-11-9-22-10-12(16(17,18)19)8-15(22)14(21-11)6-5-13-4-2-3-7-20-13/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,20,19,21,15,14,18,11,3,5,2,6,16,13,12,7,8,9,10,17,22,4/E:(17,18,19)/rA:22CCCNCCCFFFCCCCCCNCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-PIFCEBFHXHBONI_on_P41594_WT,Low,ChEMBL30,CHEMBL1784077,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3occc3c2)c1=O,PIFCEBFHXHBONI,PIFCEBFHXHBONI-UHFFFAOYSA-N,"InChI=1S/C19H11N5O2S/c1-2-6-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-3-4-13-11(8-12)5-7-26-13/h1,3-5,7-10H,6H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,23,3,22,25,9,15,24,17,20,6,13,12,5,7,26,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-PIFCEBFHXHBONI_on_Q13255_WT,High,ChEMBL30,CHEMBL1784077,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3occc3c2)c1=O,PIFCEBFHXHBONI,PIFCEBFHXHBONI-UHFFFAOYSA-N,"InChI=1S/C19H11N5O2S/c1-2-6-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-3-4-13-11(8-12)5-7-26-13/h1,3-5,7-10H,6H2,(H,20,21,22)","""AuxInfo=1/1/N:1,2,18,19,23,3,22,25,9,15,24,17,20,6,13,12,5,7,26,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-PIHMCLNCOGXHBT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3928797,CC1(C)COC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1,PIHMCLNCOGXHBT,PIHMCLNCOGXHBT-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-19(2)13-21(18(22)23-14-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,14,13,11,10,21,23,4,15,12,9,6,2,22,8,7,5/E:(1,2)(4,5)(6,7)/rA:23CCCCOCONCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s2s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-PIISVQTXMLIEGV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57389158;CHEMBL2408572,CC1CC(=O)c2c(C1)nc(Nc1ccc(OC(F)F)cc1)nc2,PIISVQTXMLIEGV,PIISVQTXMLIEGV-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O2/c1-9-6-13-12(14(22)7-9)8-19-16(21-13)20-10-2-4-11(5-3-10)23-15(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,13,21,14,20,8,3,23,2,12,15,6,7,4,17,10,18,19,22,11,9,5,16/E:(2,3)(4,5)(17,18)/rA:23CCCCOCCCNCNCCCCOCFFCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s16;s17;s17;s15;s12d20;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.903;  6.900,6.902,0.001,0.001,2.0,6.902,0.001
-PIIZGGQQRVDCFZ_on_O00591_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_O14764_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P14867_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P18505_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P28472_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P31644_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P34903_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P47870_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P48169_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_P78334_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PIIZGGQQRVDCFZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL88647,CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1,PIIZGGQQRVDCFZ,PIIZGGQQRVDCFZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,11,20,13,10,21,14,17,6,23,12,9,5,15,8,2,19,18,16,7,22/E:(1,2,3)(4,5)(7,8)(11,12)(22,23)/CRV:20.5/rA:23CCCCCCSCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;d17;d18;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-PILNLJIAIVQBCT_on_Q13255_WT,High,ChEMBL30,CHEMBL3634429,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(C(F)(F)F)c2)occ1,PILNLJIAIVQBCT,PILNLJIAIVQBCT-UHFFFAOYSA-N,"InChI=1S/C21H12F4N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,22,20,8,9,31,30,28,2,7,14,23,18,10,15,3,4,12,16,24,19,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCFCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.810;  6.810,6.81,0.0,0.0,2.0,6.81,0.0
-PILNLJIAIVQBCT_on_Q14833_WT,High,ChEMBL30,CHEMBL3634429,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(C(F)(F)F)c2)occ1,PILNLJIAIVQBCT,PILNLJIAIVQBCT-UHFFFAOYSA-N,"InChI=1S/C21H12F4N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,22,20,8,9,31,30,28,2,7,14,23,18,10,15,3,4,12,16,24,19,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCFCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-PIMKOAXNBYUHBS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3936712,CC1(C)CCN(c2ccc(C#Cc3ccc(F)c(F)c3)cn2)C(=O)O1,PIMKOAXNBYUHBS,PIMKOAXNBYUHBS-UHFFFAOYSA-N,"InChI=1S/C19H16F2N2O2/c1-19(2)9-10-23(18(24)25-19)17-8-6-14(12-22-17)4-3-13-5-7-15(20)16(21)11-13/h5-8,11-12H,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,14,9,15,8,4,5,20,21,13,10,16,18,7,23,2,17,19,22,6,24,25/E:(1,2)/rA:25CCCCCNCCCCCCCCCCFCFCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s16;s18;s13d18;s10;s7d21;s6;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-PIMUUSPQZZBEST_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111566,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1,PIMUUSPQZZBEST,PIMUUSPQZZBEST-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O/c1-13-8-16(4-5-19(13)23)22-26-21(17-9-14(2)25-15(3)10-17)20-6-7-28-18(11-24)12-27(20)22/h4-5,8-10,18H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:22,1,27,17,18,7,8,23,3,25,11,13,21,2,26,16,4,10,19,6,5,15,20,12,28,24,14,9/E:(2,3)(9,10)(14,15)/rA:28CCCCCCCCOCCFCNCCCCCClCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-PIPOCLOMPZRSLC_on_P14867_WT,High,ChEMBL30,CHEMBL4228824,C#Cc1ccc2c(c1)C(c1ccccc1F)=NC(C)c1c(C(=O)NC)ncn-21,PIPOCLOMPZRSLC,PIPOCLOMPZRSLC-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)","""AuxInfo=1/1/N:1,19,25,2,12,13,11,14,4,5,8,27,18,3,10,7,15,6,9,21,20,22,16,24,26,17,28,23/rA:28CCCCCCCCCCCCCCCFNCCCCCONCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;s18;d20;s21;d22;s22;s24;s21;d26;s6s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-PIPOCLOMPZRSLC_on_P31644_WT,High,ChEMBL30,CHEMBL4228824,C#Cc1ccc2c(c1)C(c1ccccc1F)=NC(C)c1c(C(=O)NC)ncn-21,PIPOCLOMPZRSLC,PIPOCLOMPZRSLC-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)","""AuxInfo=1/1/N:1,19,25,2,12,13,11,14,4,5,8,27,18,3,10,7,15,6,9,21,20,22,16,24,26,17,28,23/rA:28CCCCCCCCCCCCCCCFNCCCCCONCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;s18;d20;s21;d22;s22;s24;s21;d26;s6s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-PIPOCLOMPZRSLC_on_P34903_WT,High,ChEMBL30,CHEMBL4228824,C#Cc1ccc2c(c1)C(c1ccccc1F)=NC(C)c1c(C(=O)NC)ncn-21,PIPOCLOMPZRSLC,PIPOCLOMPZRSLC-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)","""AuxInfo=1/1/N:1,19,25,2,12,13,11,14,4,5,8,27,18,3,10,7,15,6,9,21,20,22,16,24,26,17,28,23/rA:28CCCCCCCCCCCCCCCFNCCCCCONCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;s18;d20;s21;d22;s22;s24;s21;d26;s6s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-PIPOCLOMPZRSLC_on_P47869_WT,High,ChEMBL30,CHEMBL4228824,C#Cc1ccc2c(c1)C(c1ccccc1F)=NC(C)c1c(C(=O)NC)ncn-21,PIPOCLOMPZRSLC,PIPOCLOMPZRSLC-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)","""AuxInfo=1/1/N:1,19,25,2,12,13,11,14,4,5,8,27,18,3,10,7,15,6,9,21,20,22,16,24,26,17,28,23/rA:28CCCCCCCCCCCCCCCFNCCCCCONCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;s15;w?9;s17;s18;s18;d20;s21;d22;s22;s24;s21;d26;s6s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-PIQQUZGHEORYDI_on_P41594_WT,High,ChEMBL30,CHEMBL3644393;CHEMBL3644426,C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(C(C)OC)c4)C=C3c2ccc1,PIQQUZGHEORYDI,PIQQUZGHEORYDI-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-14(2)16-6-5-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)27)25-12-19(24-13-25)15(3)28-4/h5-7,10,12-13,15H,1,8-9,11H2,2-4H3","""AuxInfo=1/0/N:1,3,19,21,27,28,26,6,7,23,11,22,15,2,18,4,5,25,17,24,13,9,12,16,14,8,10,20/rA:28CCCCCCCNCOCNCNCNCCCOCCCCCCCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;w?12;s13;s14;d15;s16;s17;s18;s18;s20;s14d17;s13;s8w?23;s5s24;d25;s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.620;  7.750,7.685,0.065,0.065,2.0,7.685,0.065
-PIQQUZGHEORYDI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644393,C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(C(C)OC)c4)C=C3c2ccc1,PIQQUZGHEORYDI,PIQQUZGHEORYDI-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-14(2)16-6-5-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)27)25-12-19(24-13-25)15(3)28-4/h5-7,10,12-13,15H,1,8-9,11H2,2-4H3","""AuxInfo=1/0/N:1,3,19,21,27,28,26,6,7,23,11,22,15,2,18,4,5,25,17,24,13,9,12,16,14,8,10,20/rA:28CCCCCCCNCOCNCNCNCCCOCCCCCCCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;w?12;s13;s14;d15;s16;s17;s18;s18;s20;s14d17;s13;s8w?23;s5s24;d25;s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-PIQUSCTXSJKVPN_on_P41594_WT,High,ChEMBL30,CHEMBL2205378,CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,PIQUSCTXSJKVPN,PIQUSCTXSJKVPN-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2S/c1-17-14-11-12-13(24-15(11)19-7-18-14)16(22)21(8-20-12)9-3-5-10(23-2)6-4-9/h3-8H,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,20,16,22,17,21,7,13,15,18,4,11,10,3,5,23,2,8,6,12,14,24,19,9/E:(3,4)(5,6)/rA:24CNCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PIQUSCTXSJKVPN_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,57559597;CHEMBL2205378,CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,PIQUSCTXSJKVPN,PIQUSCTXSJKVPN-UHFFFAOYSA-N,"InChI=1S/C16H13N5O2S/c1-17-14-11-12-13(24-15(11)19-7-18-14)16(22)21(8-20-12)9-3-5-10(23-2)6-4-9/h3-8H,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,20,16,22,17,21,7,13,15,18,4,11,10,3,5,23,2,8,6,12,14,24,19,9/E:(3,4)(5,6)/rA:24CNCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s18;s15d21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  8.301;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-PIQYSYVSOIVWJC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3956772,O=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1,PIQYSYVSOIVWJC,PIQYSYVSOIVWJC-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-19-9-5-4-8-18(19)20(25)23-10-11-24-16(13-23)12-15(22-24)14-26-17-6-2-1-3-7-17/h1-9,12H,10-11,13-14H2","""AuxInfo=1/0/N:21,20,22,5,6,19,23,4,7,11,12,24,26,16,15,25,18,3,8,2,9,14,10,13,1,17/E:(2,3)(6,7)/rA:26OCCCCCCCFNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s13d24;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-PIRCSLOVSHDWOO_on_P31644_WT,High,ChEMBL30,CHEMBL3676455,Cc1c(COc2ccc(Br)cn2)c(-c2ccccc2)no1,PIRCSLOVSHDWOO,PIRCSLOVSHDWOO-UHFFFAOYSA-N,"InChI=1S/C16H13BrN2O2/c1-11-14(10-20-15-8-7-13(17)9-18-15)16(19-21-11)12-5-3-2-4-6-12/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,8,7,11,4,2,14,9,3,6,13,10,12,20,5,21/E:(3,4)(5,6)/rA:21CCCCOCCCCBrCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s9;s6d11;s3;s13;d14;s15;d16;s17;s14d18;d13;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-PIRGOWKQRFTEFV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3947299,NC(=O)c1cc(-c2cnc(C3CC3)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,PIRGOWKQRFTEFV,PIRGOWKQRFTEFV-UHFFFAOYSA-N,"InChI=1S/C22H21F3N4O2S/c23-22(24,25)19-11-29(5-6-31-19)10-12-1-4-14-15(8-17(20(26)30)28-16(14)7-12)18-9-27-21(32-18)13-2-3-13/h1,4,7-9,13,19H,2-3,5-6,10-11H2,(H2,26,30)","""AuxInfo=1/1/N:17,12,13,16,21,22,30,5,8,19,29,18,11,15,6,31,4,7,24,2,10,25,26,27,28,1,9,32,20,3,23,14/E:(2,3)(23,24,25)/rA:32NCOCCCCCNCCCCSCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s11;s11s12;s7s10;d6;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;d18;s15s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-PISRVNOAPOPQHJ_on_O00591_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_O14764_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P14867_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P18505_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P18507_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P28472_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P31644_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P34903_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P47869_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P47870_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P48169_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_P78334_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PISRVNOAPOPQHJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL192198,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12,PISRVNOAPOPQHJ,PISRVNOAPOPQHJ-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-PIWBBTDGTNREQE_on_P31644_WT,High,ChEMBL30,CHEMBL3681443,CCNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,PIWBBTDGTNREQE,PIWBBTDGTNREQE-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O3/c1-2-24-18(27)12-5-8-15(25-9-12)28-10-14-16(11-3-6-13(20)7-4-11)26-29-17(14)19(21,22)23/h3-9H,2,10H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,2,22,27,7,23,26,8,29,11,21,6,24,12,9,20,13,4,14,25,15,16,17,3,28,19,5,10,18/E:(3,4)(6,7)(21,22,23)/rA:29CCNCOCCCCOCCCCFFFONCCCCCFCCNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;s14;s14;s13;s18;s12d19;s20;d21;s22;d23;s24;s24;s21d26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-PJAHYIYYMNZBLN_on_O00222_WT,High,ChEMBL30,CHEMBL4064187,NC(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)C(=O)O,PJAHYIYYMNZBLN,PJAHYIYYMNZBLN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O6P/c12-10(11(14)15)4-5-20(18,19)7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,18,1,14,19,20,15,16,6,7,5/E:(14,15)(16,17)(18,19)/CRV:13.5/rA:20NCCCPOOCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.360;  6.000,5.68,0.32,0.32,2.0,5.68,0.32
-PJAHYIYYMNZBLN_on_O15303_WT,High,ChEMBL30,CHEMBL4064187,NC(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)C(=O)O,PJAHYIYYMNZBLN,PJAHYIYYMNZBLN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O6P/c12-10(11(14)15)4-5-20(18,19)7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,18,1,14,19,20,15,16,6,7,5/E:(14,15)(16,17)(18,19)/CRV:13.5/rA:20NCCCPOOCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-PJAHYIYYMNZBLN_on_Q14831_WT,Low,ChEMBL30,CHEMBL4064187,NC(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)C(=O)O,PJAHYIYYMNZBLN,PJAHYIYYMNZBLN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O6P/c12-10(11(14)15)4-5-20(18,19)7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,18,1,14,19,20,15,16,6,7,5/E:(14,15)(16,17)(18,19)/CRV:13.5/rA:20NCCCPOOCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PJAHYIYYMNZBLN_on_Q14833_WT,High,ChEMBL30,CHEMBL4064187,NC(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)C(=O)O,PJAHYIYYMNZBLN,PJAHYIYYMNZBLN-UHFFFAOYSA-N,"InChI=1S/C11H15N2O6P/c12-10(11(14)15)4-5-20(18,19)7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)(H,18,19)","""AuxInfo=1/1/N:11,10,12,3,4,17,8,9,13,2,18,1,14,19,20,15,16,6,7,5/E:(14,15)(16,17)(18,19)/CRV:13.5/rA:20NCCCPOOCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s13;d14;s14;s9d13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.100;  6.380,6.24,0.14,0.14,2.0,6.24,0.14
-PJBDCLQZXGTMEK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107013,Cc1cnc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)s1,PJBDCLQZXGTMEK,PJBDCLQZXGTMEK-UHFFFAOYSA-N,"InChI=1S/C21H21F3N4O2S/c1-11-8-28(10-18(30-11)21(22,23)24)9-13-3-4-14-15(20-26-7-12(2)31-20)6-17(19(25)29)27-16(14)5-13/h3-7,11,18H,8-10H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:20,1,28,29,14,7,3,18,16,27,19,2,15,30,6,13,8,22,9,5,23,24,25,26,10,4,12,17,11,21,31/E:(22,23,24)/rA:31CCCNCCCCCNONCCCCNCCCOCCFFFCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;d13;s14;s15;s16;s17;s18;s19;s19;s21;s22;s23;s23;s23;s17s22;d15;s28;s6s13d29;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-PJENNFGPFYHGOP_on_O15399_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_O60391_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJENNFGPFYHGOP_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365754,Cc1c(C=NN=C(N)N)c2c(cccc2)cc1,PJENNFGPFYHGOP,PJENNFGPFYHGOP-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,15,17,16,4,2,11,10,3,7,8,9,5,6/E:(14,15)/rA:17CCCCNNCNNCCCCCCCC/rB:s1;d2;s3;w?4;s5;w?6;s7;s7;s3;d10;s11;d12;s13;s10d14;s11;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-PJHSICZFRHXHMB_on_P41594_WT,High,ChEMBL30,CHEMBL3644416,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,PJHSICZFRHXHMB,PJHSICZFRHXHMB-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-25-15-6-3-5-14(11-15)18-12-19-16-7-4-8-20(26-2)17(16)9-10-23(19)21(24)13-22-18/h3-8,11-12H,9-10,13H2,1-2H3","""AuxInfo=1/0/N:1,23,5,19,6,4,18,20,15,14,26,25,10,7,3,17,16,8,24,21,11,9,13,12,2,22/rA:26COCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s13s17;s8w?24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.110;  6.490,6.8,0.31,0.31,2.0,6.8,0.31
-PJHSICZFRHXHMB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644416,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,PJHSICZFRHXHMB,PJHSICZFRHXHMB-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-25-15-6-3-5-14(11-15)18-12-19-16-7-4-8-20(26-2)17(16)9-10-23(19)21(24)13-22-18/h3-8,11-12H,9-10,13H2,1-2H3","""AuxInfo=1/0/N:1,23,5,19,6,4,18,20,15,14,26,25,10,7,3,17,16,8,24,21,11,9,13,12,2,22/rA:26COCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s13s17;s8w?24;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.660;  5.190,5.425,0.235,0.235,2.0,5.425,0.235
-PJKFKLYKZFIEHG_on_Q14833_WT,Low,ChEMBL30,CHEMBL2022868,c1ccc2c(-c3c[nH]nc3)ccnc2c1,PJKFKLYKZFIEHG,PJKFKLYKZFIEHG-UHFFFAOYSA-N,"InChI=1S/C12H9N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-8H,(H,14,15)","""AuxInfo=1/1/N:2,1,3,15,11,12,7,10,6,5,4,14,13,8,9/E:(7,8)(14,15)/rA:15CCCCCCCNNCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s11;d12;s4s13;s1d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PJMNINJICZHJJV_on_P41594_WT,High,ChEMBL30,CHEMBL443487,C(#Cc1ncccc1)C1=CCCC1,PJMNINJICZHJJV,PJMNINJICZHJJV-UHFFFAOYSA-N,"InChI=1S/C12H11N/c1-2-6-11(5-1)8-9-12-7-3-4-10-13-12/h3-5,7,10H,1-2,6H2","""AuxInfo=1/0/N:11,12,7,6,10,13,8,1,2,5,9,3,4/rA:13CCCNCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-PJMYDDGWVUCELC_on_P14867_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-PJMYDDGWVUCELC_on_P18507_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680431;CHEMBL677847;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.240;  6.050;  6.370,6.22,0.131,0.09300000000000001,3.0,6.24,0.13
-PJMYDDGWVUCELC_on_P28472_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.370;  6.240,6.305,0.065,0.065,2.0,6.305,0.065
-PJMYDDGWVUCELC_on_P34903_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-PJMYDDGWVUCELC_on_P47869_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-PJMYDDGWVUCELC_on_P47870_WT,Low,ChEMBL30,CHEMBL282623,CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12,PJMYDDGWVUCELC,PJMYDDGWVUCELC-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-2-24-16(21)10-12-6-5-9-20(12)18(23)17(22)14-11-19-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,2,22,21,9,8,23,20,10,6,17,7,24,16,19,4,14,12,18,11,5,15,13,3/rA:24CCOCOCCCCCNCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s11;d12;s12;d14;s14;d16;s17;s18;d19;s20;d21;s22;s16s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-PJNXYVARQXFUAP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3900324,O=C(c1cc(F)ccc1)N1CCn2nc(COc3ccccc3)cc2C1,PJNXYVARQXFUAP,PJNXYVARQXFUAP-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-16-6-4-5-15(11-16)20(25)23-9-10-24-18(13-23)12-17(22-24)14-26-19-7-2-1-3-8-19/h1-8,11-12H,9-10,13-14H2","""AuxInfo=1/0/N:21,20,22,8,9,7,19,23,11,12,4,24,26,16,3,5,15,25,18,2,6,14,10,13,1,17/E:(2,3)(7,8)/rA:26OCCCCFCCCNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;s5;d5;s7;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s13d24;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-PJOFFBPNUHEFJJ_on_Q14416_WT,High,ChEMBL30,CHEMBL425540,CCCc1c(OCCCCN(C)c2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,PJOFFBPNUHEFJJ,PJOFFBPNUHEFJJ-UHFFFAOYSA-N,"InChI=1S/C23H29N5O3/c1-4-7-20-21(13-12-19(16(2)29)22(20)30)31-15-6-5-14-28(3)18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,30H,4-7,14-15H2,1-3H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,28,12,2,9,8,3,15,22,14,23,25,24,10,7,27,16,13,26,4,5,30,17,18,21,19,20,11,29,31,6/E:(8,9)(10,11)(24,25)(26,27)/rA:31CCCCCOCCCCNCCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s11;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-PJTBERHBRIOTGR_on_O15399_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.650;  5.420,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_O60391_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.650;  5.420,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  5.650,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  5.650,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.650;  5.420,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  5.650,5.535,0.115,0.115,2.0,5.535,0.115
-PJTBERHBRIOTGR_on_Q14957_WT,Low,ChEMBL30,CHEMBL1185776,N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1,PJTBERHBRIOTGR,PJTBERHBRIOTGR-UHFFFAOYSA-N,"InChI=1S/C24H28N6/c25-23(26)29(15-19-8-3-1-4-9-19)17-21-12-7-13-22(14-21)18-30(24(27)28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H3,25,26)(H3,27,28)","""AuxInfo=1/1/N:9,22,8,10,21,23,29,7,11,20,24,30,28,14,5,18,12,16,6,19,13,15,2,25,1,3,26,27,4,17/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/gE:(1,2)/rA:30NCNNCCCCCCCCCCCCNCCCCCCCCNNCCC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s4;s12;d13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;d25;s25;d15;s28;s13d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.420;  5.650,5.535,0.115,0.115,2.0,5.535,0.115
-PJTVUMGMCJDNJZ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL396594,CCOC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1,PJTVUMGMCJDNJZ,PJTVUMGMCJDNJZ-UHFFFAOYSA-N,"InChI=1S/C17H23NO4/c1-4-21-17(20)15-9(2)14(10(3)18-15)16(19)22-13-8-11-5-6-12(13)7-11/h11-13,18H,4-8H2,1-3H3","""AuxInfo=1/0/N:1,8,21,2,16,17,19,14,7,20,15,18,13,9,6,10,4,22,11,5,3,12/rA:22CCOCOCCCCCOOCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;d9;s20;s6s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-PJURQMOPTLHZOE_on_P41594_WT,Low,ChEMBL30,CHEMBL256830,Cc1cn2cccc2c(C#Cc2cncc3ccccc23)n1,PJURQMOPTLHZOE,PJURQMOPTLHZOE-UHFFFAOYSA-N,"InChI=1S/C19H13N3/c1-14-13-22-10-4-7-19(22)18(21-14)9-8-16-12-20-11-15-5-2-3-6-17(15)16/h2-7,10-13H,1H3","""AuxInfo=1/0/N:1,18,19,6,17,20,7,11,10,5,15,13,3,2,16,12,21,9,8,14,22,4/rA:22CCCNCCCCCCCCCNCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;d16;s17;d18;s19;s12s16d20;s2d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-PJWPWYMCLCQLBD_on_P18507_WT,Low,ChEMBL30,CHEMBL237486,CCCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1,PJWPWYMCLCQLBD,PJWPWYMCLCQLBD-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCClCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PJWPWYMCLCQLBD_on_P47869_WT,Low,ChEMBL30,CHEMBL237486,CCCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1,PJWPWYMCLCQLBD,PJWPWYMCLCQLBD-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCClCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PJWPWYMCLCQLBD_on_P47870_WT,Low,ChEMBL30,CHEMBL237486,CCCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1,PJWPWYMCLCQLBD,PJWPWYMCLCQLBD-UHFFFAOYSA-N,"InChI=1S/C12H12Cl3N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCClCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-PJXGTGOFTCTPNK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53247348;CHEMBL2426609;CHEMBL2426609,O=C1c2c(CCN1c1cnccc1)nc(COc1ccccc1)s2,PJXGTGOFTCTPNK,PJXGTGOFTCTPNK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O2S/c22-18-17-15(8-10-21(18)13-5-4-9-19-11-13)20-16(24-17)12-23-14-6-2-1-3-7-14/h1-7,9,11H,8,10,12H2","""AuxInfo=1/0/N:21,20,22,12,13,19,23,5,11,6,9,16,8,18,4,15,3,2,10,14,7,1,17,24/E:(2,3)(6,7)/rA:24OCCCCCNCCNCCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s4;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s3s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:770257;CHEMBL2426830;CHEMBL2426830,PMID:23947773,2013.0,PubChemAID:770257;PMID:23947773;PMID:23947773,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  5.755;  5.750;  5.750,5.752000000000001,0.002,0.002,3.0,5.75,0.0
-PKEODQBLMLQVCV_on_P41594_WT,High,ChEMBL30,CHEMBL2151641;CHEMBL2151640,O=C(C1CC2CCC1C2)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1,PKEODQBLMLQVCV,PKEODQBLMLQVCV-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-15-3-1-2-13(8-15)17-21-18(25-22-17)14-9-23(10-14)19(24)16-7-11-4-5-12(16)6-11/h1-3,8,11-12,14,16H,4-7,9-10H2","""AuxInfo=1/0/N:21,22,20,6,7,9,4,17,11,25,5,8,16,12,18,3,15,13,2,19,14,23,10,1,24/E:(9,10)/rA:25OCCCCCCCCNCCCNCCCCClCCCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s5s8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  7.010;  7.130,7.07,0.06,0.06,2.0,7.07,0.06
-PKFRRJSAWUWWHN_on_P18507_WT,Low,ChEMBL30,CHEMBL396110,CCCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,PKFRRJSAWUWWHN,PKFRRJSAWUWWHN-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-23(22-21-11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,13,19,8,14,7,11,20,10,15,12,21,16,17,18,23,22,9/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-PKFRRJSAWUWWHN_on_P47869_WT,Low,ChEMBL30,CHEMBL396110,CCCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,PKFRRJSAWUWWHN,PKFRRJSAWUWWHN-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-23(22-21-11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,13,19,8,14,7,11,20,10,15,12,21,16,17,18,23,22,9/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-PKFRRJSAWUWWHN_on_P47870_WT,Low,ChEMBL30,CHEMBL396110,CCCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,PKFRRJSAWUWWHN,PKFRRJSAWUWWHN-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-23(22-21-11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,13,19,8,14,7,11,20,10,15,12,21,16,17,18,23,22,9/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-PKFYAMAKHIAAHT_on_O00222_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKFYAMAKHIAAHT_on_P41594_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKFYAMAKHIAAHT_on_Q13255_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKFYAMAKHIAAHT_on_Q14416_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKFYAMAKHIAAHT_on_Q14832_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKFYAMAKHIAAHT_on_Q14833_WT,Low,ChEMBL30,CHEMBL60008,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1,PKFYAMAKHIAAHT,PKFYAMAKHIAAHT-UHFFFAOYSA-N,"InChI=1S/C13H15ClN2O4/c14-9-3-1-2-8(4-9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:18,19,17,14,6,12,20,13,15,7,8,3,2,16,1,11,9,10,4,5/E:(17,18)(19,20)/rA:20NCCOOCCCOONCCCCClCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s13d18;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PKHPMOOYSRWYSI_on_O00591_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_O14764_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P14867_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P18505_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P18507_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P28472_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P31644_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P34903_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P47869_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P47870_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P48169_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_P78334_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_Q16445_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHPMOOYSRWYSI_on_Q99928_WT,Low,ChEMBL30,CHEMBL293097,COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C,PKHPMOOYSRWYSI,PKHPMOOYSRWYSI-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2/c1-23-14-11-7-6-10-13(14)15-17(21)16(20(24)25-2)18(22-19(15)23)12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,21,22)","""AuxInfo=1/1/N:25,1,10,9,11,22,21,8,12,23,20,7,18,19,15,5,16,6,14,3,17,13,24,4,2/E:(4,5)(8,9)/rA:25COCOCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;s5d15;s16;s15;d18;s19;d20;s21;s18d22;s14s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.950,4.95,0.0,0.0,1.0,4.95,0.0
-PKHUDNJMPFOIEY_on_P41594_WT,High,ChEMBL30,CHEMBL3122210,Cn1nc(-c2cnccc2)c2c1nc(OCc1ccccn1)cn2,PKHUDNJMPFOIEY,PKHUDNJMPFOIEY-UHFFFAOYSA-N,"InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,19,20,9,10,18,8,21,6,23,16,5,17,14,4,11,12,7,22,24,13,3,2,15/rA:24CNNCCCNCCCCCNCOCCCCCCNCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-PKIAMLDRUKFNIH_on_Q13255_WT,Low,ChEMBL30,CHEMBL1253502,NC(C(=O)O)C1C(C(=O)O)C1C1CCCCC1,PKIAMLDRUKFNIH,PKIAMLDRUKFNIH-UHFFFAOYSA-N,"InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1252028,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PKIAMLDRUKFNIH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL1253502,NC(C(=O)O)C1C(C(=O)O)C1C1CCCCC1,PKIAMLDRUKFNIH,PKIAMLDRUKFNIH-UHFFFAOYSA-N,"InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1252113,PMID:20638290,2010.0,PMID:20638290,2010,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-PKIAMLDRUKFNIH_on_Q14833_WT,Low,ChEMBL30,CHEMBL1253502,NC(C(=O)O)C1C(C(=O)O)C1C1CCCCC1,PKIAMLDRUKFNIH,PKIAMLDRUKFNIH-UHFFFAOYSA-N,"InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,12,11,6,7,2,8,3,1,9,10,4,5/E:(2,3)(4,5)(14,15)(16,17)/rA:17NCCOOCCCOOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s6s7;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1252114,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PKJGSRHYDOGGLB_on_O00591_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_O14764_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P14867_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P18505_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P18507_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P28472_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P31644_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P34903_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P47869_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P47870_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P48169_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_P78334_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_Q16445_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKJGSRHYDOGGLB_on_Q99928_WT,Low,ChEMBL30,CHEMBL192554,COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,PKJGSRHYDOGGLB,PKJGSRHYDOGGLB-UHFFFAOYSA-N,"InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)","""AuxInfo=1/1/N:1,17,16,18,15,5,22,4,23,6,3,13,14,7,20,10,12,8,19,9,21,11,2/E:(6,7)(8,9)/rA:23COCCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9s14;s7s19;d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PKNWIXBMKGDKEX_on_P41594_WT,Medium,ChEMBL30,CHEMBL4108173;CHEMBL3939327;CHEMBL3910198,COC1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,PKNWIXBMKGDKEX,PKNWIXBMKGDKEX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-20(2)14-22(19(23)18(20)24-3)17-12-11-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-13,18H,14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,16,15,17,14,18,12,11,9,8,19,21,13,10,7,3,4,22,20,6,5,2/E:(1,2)(5,6)(7,8)/rA:24COCCONCCCCCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;s3s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920;  7.460;  7.120,7.5,0.32799999999999996,0.23199999999999998,3.0,7.46,0.34
-PKRQVNUXXFIVRI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108937,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)F)c3)n2)cc(C)n1,PKRQVNUXXFIVRI,PKRQVNUXXFIVRI-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-12-8-16(9-13(2)26-12)20-18-6-7-29-14(3)11-28(18)21(27-20)15-4-5-17(23)19(10-15)30-22(24)25/h4-5,8-10,14,22H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,18,6,20,5,14,22,19,23,24,30,26,13,9,21/E:(1,2)(8,9)(12,13)(24,25)/rA:30CCCCCCCCOCCCNCCCCCFCOCFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s22;s15d20;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-PKRXUANONKHENC_on_P41594_WT,High,ChEMBL30,CHEMBL2069397,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1,PKRXUANONKHENC,PKRXUANONKHENC-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2","""AuxInfo=1/0/N:10,9,11,21,24,20,25,14,3,17,8,4,12,22,19,2,7,5,13,23,6,15,18,1,16/E:(4,5)(6,7)/rA:25OCCCCNCCCCCCClCNOCNCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072733;CHEMBL2072730;CHEMBL2072733;CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,0;1;0;1,0,1;0;1;0,0,,=,  6.820;  8.060;  6.390;  7.970,7.31,0.722,0.41700000000000004,4.0,7.395,0.62
-PLDMRMLBISIHNX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11379837;CHEMBL213001,Cc1nc(C#CCCc2cc(Cl)ccc2)ccc1,PLDMRMLBISIHNX,PLDMRMLBISIHNX-UHFFFAOYSA-N,"InChI=1S/C16H14ClN/c1-13-6-4-11-16(18-13)10-3-2-7-14-8-5-9-15(17)12-14/h4-6,8-9,11-12H,2,7H2,1H3","""AuxInfo=1/0/N:1,7,6,17,14,18,8,15,13,5,16,10,2,9,11,4,12,3/rA:18CCNCCCCCCCCClCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270780;CHEMBL856303,PMID:16837196,2006.0,PubChemAID:270780;PMID:16837196,2010;2006,0;1,0,0,0,1;0,,=,  8.301;  8.300,8.3,0.0,0.0,2.0,8.3,0.0
-PLENDPYAKXQIAY_on_Q13255_WT,High,ChEMBL30,CHEMBL3786032,Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3)cc2)occ1,PLENDPYAKXQIAY,PLENDPYAKXQIAY-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O2/c1-14-9-11-26-20(14)21(25)23-17-6-7-19(18(22)12-17)24-10-8-15-4-2-3-5-16(15)13-24/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,18,20,17,23,22,14,26,13,25,8,21,2,15,16,7,9,11,3,4,10,6,12,5,24/rA:26CCCCONCCCClCNCCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.880;  5.610,5.745,0.135,0.135,2.0,5.745,0.135
-PLFFELVMVDRXOV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1802036,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,PLFFELVMVDRXOV,PLFFELVMVDRXOV-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOSCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-PLFFELVMVDRXOV_on_Q13224_WT,Low,ChEMBL30,CHEMBL1802036,O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1,PLFFELVMVDRXOV,PLFFELVMVDRXOV-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)","""AuxInfo=1/1/N:22,27,23,26,5,6,18,28,17,29,20,13,21,19,24,4,7,12,2,14,9,25,3,8,16,1,15,10,11/E:(1,2)(3,4)(7,8)(9,10)/rA:29OCNCCCCNCOSCCCONCCCCCCCCFCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s19;s16s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805126,PMID:21453995,2011.0,PMID:21453995,2011,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-PLFOOFNVJVQCNI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL105151,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCC2)ccc1,PLFOOFNVJVQCNI,PLFOOFNVJVQCNI-UHFFFAOYSA-N,"InChI=1S/C18H19F3N2O3S/c19-18(20,21)13-27(24,25)23(12-14-4-3-9-22-11-14)15-5-1-8-17(10-15)26-16-6-2-7-16/h1,3-5,8-11,16H,2,6-7,12-13H2","""AuxInfo=1/0/N:26,23,15,16,27,22,24,25,14,18,12,10,4,11,17,21,19,5,6,7,8,13,9,1,3,20,2/E:(6,7)(19,20,21)(24,25)/CRV:27.6/rA:27OSOCCFFFNCCCNCCCCCCOCCCCCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;s22;s21s23;d19;s25;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-PLGYKWSBNNLLME_on_P41594_WT,High,ChEMBL30,CHEMBL2069393,O=c1oc2c(cccc2)n1Cc1nc(-c2cccc(Cl)c2)no1,PLGYKWSBNNLLME,PLGYKWSBNNLLME-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O3/c17-11-5-3-4-10(8-11)15-18-14(23-19-15)9-20-12-6-1-2-7-13(12)22-16(20)21/h1-8H,9H2","""AuxInfo=1/0/N:7,8,17,16,18,6,9,21,11,15,19,5,4,12,14,2,20,13,22,10,1,3,23/rA:23OCOCCCCCCNCCNCCCCCCClCNO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-PLTCCMAGILPQDB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,46226042;CHEMBL592905,CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1,PLTCCMAGILPQDB,PLTCCMAGILPQDB-UHFFFAOYSA-N,"InChI=1S/C17H19ClN4O/c1-12-3-2-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-6-4-13(18)5-7-14/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,4,3,16,19,15,20,10,11,5,23,2,17,14,9,12,7,18,13,22,21,6,8/E:(4,5)(6,7)/rA:23CCCCCNCOCCCCNCCCCClCCNNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s9d21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451779;CHEMBL1065281,PMID:19931453,2010.0,PubChemAID:451779;PMID:19931453,2010,0;1,0,0,0,1;0,,=,  6.143;  6.140,6.141,0.002,0.002,2.0,6.141,0.002
-PLUGGALXTRCKCA_on_P41594_WT,High,ChEMBL30,CHEMBL3671835,Cc1ncc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)s1,PLUGGALXTRCKCA,PLUGGALXTRCKCA-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,19,11,18,20,12,10,24,25,23,4,26,2,17,21,5,15,6,13,9,22,3,14,8,16,7,27/rA:27CCNCCCONCCCCCNCOCCCCCClCCCCS/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s13;s9s24;s9s13;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706069;CHEMBL3706070,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,1;0,0,0,0;1,0,,=,  7.580;  6.470,7.025,0.555,0.555,2.0,7.025,0.555
-PLXHRYFJSLJHBP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3907039,O=C1CC2(COC2)CN1c1ccc(C#Cc2ccccc2)cn1,PLXHRYFJSLJHBP,PLXHRYFJSLJHBP-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-18-10-19(13-23-14-19)12-21(18)17-9-8-16(11-20-17)7-6-15-4-2-1-3-5-15/h1-5,8-9,11H,10,12-14H2","""AuxInfo=1/0/N:19,18,20,17,21,15,14,12,11,3,22,8,5,7,16,13,10,2,4,23,9,1,6/E:(2,3)(4,5)(13,14)/rA:23OCCCCOCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s4s6;s4;s2s8;s9;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PLZWYQYDWCXHTF_on_P14867_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-PLZWYQYDWCXHTF_on_P18507_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.090;  7.020;  6.500;  6.860,6.867000000000001,0.228,0.132,4.0,6.94,0.115
-PLZWYQYDWCXHTF_on_P28472_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.090;  6.500;  6.860;  7.020,6.867000000000001,0.228,0.132,4.0,6.94,0.115
-PLZWYQYDWCXHTF_on_P31644_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-PLZWYQYDWCXHTF_on_P34903_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-PLZWYQYDWCXHTF_on_P47869_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-PLZWYQYDWCXHTF_on_Q16445_WT,Low,ChEMBL30,CHEMBL73096,CN1C(=O)CN=C(c2ccccc2)c2c1cccc2,PLZWYQYDWCXHTF,PLZWYQYDWCXHTF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,18,17,9,13,19,16,5,8,14,15,3,7,6,2,4/E:(3,4)(7,8)/rA:19CNCOCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-PMDUNHOOULGNCQ_on_P14867_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-PMDUNHOOULGNCQ_on_P18507_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.510;  6.460;  6.500;  6.580,6.5120000000000005,0.043,0.025,4.0,6.505,0.025
-PMDUNHOOULGNCQ_on_P28472_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681480;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.460;  6.580;  6.500;  6.510,6.5120000000000005,0.043,0.025,4.0,6.505,0.025
-PMDUNHOOULGNCQ_on_P31644_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-PMDUNHOOULGNCQ_on_P34903_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-PMDUNHOOULGNCQ_on_P47869_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-PMDUNHOOULGNCQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL275115,CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2,PMDUNHOOULGNCQ,PMDUNHOOULGNCQ-UHFFFAOYSA-N,"InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,17,16,21,19,5,18,8,14,15,3,7,20,6,2,4/E:(3,4)(5,6)/rA:21CNCOCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s7;s2d14;s15;d16;s17;s18;t19;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-PMFGUFKMTACZHR_on_P14867_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-PMFGUFKMTACZHR_on_P18507_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678745;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750;  8.400;  7.800;  7.960,7.977,0.256,0.14800000000000002,4.0,7.88,0.105
-PMFGUFKMTACZHR_on_P28472_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678741;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750;  7.960;  7.800;  8.400,7.978,0.256,0.14800000000000002,4.0,7.88,0.105
-PMFGUFKMTACZHR_on_P31644_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-PMFGUFKMTACZHR_on_P34903_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PMFGUFKMTACZHR_on_P47869_WT,Low,ChEMBL30,CHEMBL441612,Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,PMFGUFKMTACZHR,PMFGUFKMTACZHR-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-9-11-16(12-10-15)20-24-25-21-18-7-2-3-8-19(18)22(26-27(20)21)28-14-17-6-4-5-13-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,14,13,23,22,24,15,12,3,28,4,27,21,18,2,5,19,10,11,6,9,16,20,7,8,25,26,17/E:(9,10)(11,12)/rA:28CCCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s11;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s6s9s25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-PMHIHKUUKVLSBG_on_O00591_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_O14764_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P14867_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P18505_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P18507_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P28472_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P31644_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P34903_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P47869_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P47870_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P48169_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_P78334_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_Q16445_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIHKUUKVLSBG_on_Q99928_WT,Low,ChEMBL30,CHEMBL70086,CCOC(=O)c1ncc2oc3c(cccc3)c2c1,PMHIHKUUKVLSBG,PMHIHKUUKVLSBG-UHFFFAOYSA-N,"InChI=1S/C14H11NO3/c1-2-17-14(16)11-7-10-9-5-3-4-6-12(9)18-13(10)8-15-11/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,16,18,8,12,17,6,11,9,4,7,5,3,10/rA:18CCOCOCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-PMHIYAASFGVALV_on_Q14416_WT,High,ChEMBL30,CHEMBL4092275,Clc1c(NC2CCOCC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1,PMHIYAASFGVALV,PMHIYAASFGVALV-UHFFFAOYSA-N,"InChI=1S/C21H22Cl2N4O/c22-17-12-14(3-4-18(17)24-15-6-9-28-10-7-15)16-5-8-27-19(11-13-1-2-13)25-26-21(27)20(16)23/h3-5,8,12-13,15,24H,1-2,6-7,9-11H2","""AuxInfo=1/0/N:23,24,12,11,27,6,10,26,7,9,21,28,22,13,5,14,2,3,20,15,17,1,16,4,19,18,25,8/E:(1,2)(6,7)(9,10)/rA:28ClCCNCCCOCCCCCCCClCNNCCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s5s9;s3;d11;s12;s13;d14;s15;s15;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s14d26;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  7.410;  6.830;  7.710,7.317,0.365,0.258,3.0,7.41,0.3
-PMHJRMIXYKVQTO_on_Q14416_WT,High,ChEMBL30,CHEMBL2179320,CCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12,PMHJRMIXYKVQTO,PMHJRMIXYKVQTO-UHFFFAOYSA-N,"InChI=1S/C20H21F3N4/c1-2-17-24-25-19-18(20(21,22)23)16(10-13-27(17)19)26-11-8-15(9-12-26)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,18,22,15,23,25,14,24,26,17,16,12,3,7,6,8,9,10,11,4,5,13,27/E:(4,5)(6,7)(8,9)(11,12)(21,22,23)/rA:27CCCNNCCCFFFCNCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;s12;d25;s3s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-PMHTZCMZCDABKL_on_P41594_WT,High,ChEMBL30,CHEMBL4091125,O=C(c1c(F)cccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2,PMHTZCMZCDABKL,PMHTZCMZCDABKL-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-11-5-6-14(21-9-11)17-22-15-10-23(8-7-16(15)25-17)18(24)12-3-1-2-4-13(12)20/h1-6,9H,7-8,10H2","""AuxInfo=1/0/N:8,7,9,6,20,19,12,11,23,15,21,3,4,18,14,13,17,2,22,5,24,16,10,1,25/rA:25OCCCFCCCCNCCCCCNCCCCCFCNO/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PMKBMDOPELZEOY_on_P41594_WT,High,ChEMBL30,CHEMBL4066079,CC1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccccc2)CC1,PMKBMDOPELZEOY,PMKBMDOPELZEOY-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c1-16-11-13-23(14-12-16)21-18-9-5-6-10-19(18)22-15-20(21)26(24,25)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3","""AuxInfo=1/0/N:1,22,21,23,9,10,20,24,8,11,3,26,4,25,14,2,19,7,12,15,6,13,5,17,18,16/E:(3,4)(7,8)(11,12)(13,14)(24,25)/CRV:26.6/rA:26CCCCNCCCCCCCNCCSOOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s13;s6d14;s15;d16;d16;s16;d19;s20;d21;s22;s19d23;s5;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-PMSTWQVGRCCXDI_on_P31644_WT,High,ChEMBL30,CHEMBL3676472,Cc1c(COc2ccc(C(=O)NCc3n[nH]c(C4CC4)c3)cn2)c(-c2ccccc2)no1,PMSTWQVGRCCXDI,PMSTWQVGRCCXDI-UHFFFAOYSA-N,"InChI=1S/C24H23N5O3/c1-15-20(23(29-32-15)17-5-3-2-4-6-17)14-31-22-10-9-18(12-25-22)24(30)26-13-19-11-21(28-27-19)16-7-8-16/h2-6,9-12,16H,7-8,13-14H2,1H3,(H,26,30)(H,27,28)","""AuxInfo=1/1/N:1,28,27,29,26,30,19,20,8,7,21,22,13,4,2,18,25,9,14,3,17,6,24,10,23,12,15,16,31,11,5,32/E:(3,4)(5,6)(7,8)/rA:32CCCCOCCCCCONCCNNCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;s16;s17;s18;s18s19;s14d17;s9;s6d22;s3;s24;d25;s26;d27;s28;s25d29;d24;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-PMXRCEMWMUJHLO_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771696,O=C(C1CC1)N1CCCC1c1nc(-c2cccc(F)c2)no1,PMXRCEMWMUJHLO,PMXRCEMWMUJHLO-UHFFFAOYSA-N,"InChI=1S/C16H16FN3O2/c17-12-4-1-3-11(9-12)14-18-15(22-19-14)13-5-2-8-20(13)16(21)10-6-7-10/h1,3-4,9-10,13H,2,5-8H2","""AuxInfo=1/0/N:16,8,15,17,9,4,5,7,20,3,14,18,10,13,11,2,19,12,21,6,1,22/E:(6,7)/rA:22OCCCCNCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s3s4;s2;s6;s7;s8;s6s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-PNDLZKHZYHFKEF_on_P41594_WT,Low,ChEMBL30,CHEMBL274416,Clc1ccc(Cc2ccnc(-c3ccccn3)n2)cc1,PNDLZKHZYHFKEF,PNDLZKHZYHFKEF-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3/c17-13-6-4-12(5-7-13)11-14-8-10-19-16(20-14)15-3-1-2-9-18-15/h1-10H,11H2","""AuxInfo=1/0/N:14,15,13,4,19,3,20,8,16,9,6,5,2,7,12,11,1,17,10,18/E:(4,5)(6,7)/rA:20ClCCCCCCCCNCCCCCCNNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PNEOQFYBCKZRBL_on_P18507_WT,Low,ChEMBL30,CHEMBL377187,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccnc1,PNEOQFYBCKZRBL,PNEOQFYBCKZRBL-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-5-4-8-22-9-13)16-10-24-26-19(29(16)27-20)14-6-2-3-7-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,14,17,28,30,22,7,4,25,13,18,23,6,24,12,9,19,29,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-PNEOQFYBCKZRBL_on_P28472_WT,Low,ChEMBL30,CHEMBL377187,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccnc1,PNEOQFYBCKZRBL,PNEOQFYBCKZRBL-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-5-4-8-22-9-13)16-10-24-26-19(29(16)27-20)14-6-2-3-7-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,14,17,28,30,22,7,4,25,13,18,23,6,24,12,9,19,29,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-PNEOQFYBCKZRBL_on_P34903_WT,Low,ChEMBL30,CHEMBL377187,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccnc1,PNEOQFYBCKZRBL,PNEOQFYBCKZRBL-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-5-4-8-22-9-13)16-10-24-26-19(29(16)27-20)14-6-2-3-7-15(14)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,14,17,28,30,22,7,4,25,13,18,23,6,24,12,9,19,29,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCNC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.010,9.01,0.0,0.0,1.0,9.01,0.0
-PNFZTQCQFAGXDC_on_P18507_WT,Low,ChEMBL30,CHEMBL583206,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(cccc3)-n2cn1,PNFZTQCQFAGXDC,PNFZTQCQFAGXDC-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2/c1-2-26-20(25)18-16-9-13-10-21-19(12-7-8-12)23-17(13)14-5-3-4-6-15(14)24(16)11-22-18/h3-6,10-12H,2,7-9H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,20,14,15,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(7,8)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-PNFZTQCQFAGXDC_on_P28472_WT,Low,ChEMBL30,CHEMBL583206,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(cccc3)-n2cn1,PNFZTQCQFAGXDC,PNFZTQCQFAGXDC-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2/c1-2-26-20(25)18-16-9-13-10-21-19(12-7-8-12)23-17(13)14-5-3-4-6-15(14)24(16)11-22-18/h3-6,10-12H,2,7-9H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,20,14,15,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(7,8)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-PNFZTQCQFAGXDC_on_P31644_WT,Low,ChEMBL30,CHEMBL583206,CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(cccc3)-n2cn1,PNFZTQCQFAGXDC,PNFZTQCQFAGXDC-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2/c1-2-26-20(25)18-16-9-13-10-21-19(12-7-8-12)23-17(13)14-5-3-4-6-15(14)24(16)11-22-18/h3-6,10-12H,2,7-9H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,20,14,15,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(7,8)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13s14;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-PNGHTMBIJIFCGV_on_P41594_WT,High,ChEMBL30,CHEMBL3702445,CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nc(C)cs4)C3=C2)cn1,PNGHTMBIJIFCGV,PNGHTMBIJIFCGV-UHFFFAOYSA-N,"InChI=1S/C23H23N5O2S/c1-3-30-12-16-11-27(14-25-16)21-9-20-18-5-4-6-19(23-26-15(2)13-31-23)17(18)7-8-28(20)22(29)10-24-21/h4-6,9,11,13-14H,3,7-8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,25,2,19,18,20,15,14,29,10,6,4,26,30,24,5,16,17,21,28,8,11,22,9,31,23,7,13,12,3,27/rA:31CCOCCCNCNCCONCCCCCCCCCNCCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;d24;s22s26;s13s17;s8w?28;s7;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-PNGHTMBIJIFCGV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702445,CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nc(C)cs4)C3=C2)cn1,PNGHTMBIJIFCGV,PNGHTMBIJIFCGV-UHFFFAOYSA-N,"InChI=1S/C23H23N5O2S/c1-3-30-12-16-11-27(14-25-16)21-9-20-18-5-4-6-19(23-26-15(2)13-31-23)17(18)7-8-28(20)22(29)10-24-21/h4-6,9,11,13-14H,3,7-8,10,12H2,1-2H3","""AuxInfo=1/0/N:1,25,2,19,18,20,15,14,29,10,6,4,26,30,24,5,16,17,21,28,8,11,22,9,31,23,7,13,12,3,27/rA:31CCOCCCNCNCCONCCCCCCCCCNCCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;d24;s22s26;s13s17;s8w?28;s7;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PNGXKFXLAGIZHQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110317;CHEMBL3912615,CC1COC(C(F)(F)F)CN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1,PNGXKFXLAGIZHQ,PNGXKFXLAGIZHQ-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O2/c1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)","""AuxInfo=1/1/N:1,21,14,15,31,24,23,12,19,10,3,2,13,18,16,17,30,25,5,26,6,7,8,9,27,22,29,20,11,28,4/E:(22,23,24)/rA:31CCCOCCFFFCNCCCCCCCCNCNCCCCNONCC/rB:s1;s2;s3;s4;s5;s6;s6;s6;s5;s2s10;s11;s12;d13;s14;d15;s16;s17;d18;s19;s20;s20;s18d22;d17;s24;s25;s26;d26;d25;s16s29;s13d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-PNHVIUAPSLKFKQ_on_P14867_WT,Low,ChEMBL30,CHEMBL511685,CCCCC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,PNHVIUAPSLKFKQ,PNHVIUAPSLKFKQ-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,16,15,19,21,17,13,14,5,7,8,11,18,22,9,20,6,12/rA:22CCCCCOCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s8s14;s20;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-PNHVIUAPSLKFKQ_on_P18507_WT,Low,ChEMBL30,CHEMBL511685,CCCCC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,PNHVIUAPSLKFKQ,PNHVIUAPSLKFKQ-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,16,15,19,21,17,13,14,5,7,8,11,18,22,9,20,6,12/rA:22CCCCCOCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s8s14;s20;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-PNHVIUAPSLKFKQ_on_P28472_WT,Low,ChEMBL30,CHEMBL511685,CCCCC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,PNHVIUAPSLKFKQ,PNHVIUAPSLKFKQ-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,16,15,19,21,17,13,14,5,7,8,11,18,22,9,20,6,12/rA:22CCCCCOCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s8s14;s20;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-PNHVIUAPSLKFKQ_on_P31644_WT,Medium,ChEMBL30,CHEMBL511685,CCCCC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,PNHVIUAPSLKFKQ,PNHVIUAPSLKFKQ-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,16,15,19,21,17,13,14,5,7,8,11,18,22,9,20,6,12/rA:22CCCCCOCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s8s14;s20;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-PNMZFJOPBFIRGI_on_P41594_WT,High,ChEMBL30,CHEMBL1290668,O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,PNMZFJOPBFIRGI,PNMZFJOPBFIRGI-UHFFFAOYSA-N,"InChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)19(23)15-24-14-16-4-2-1-3-5-16/h1-9H,10-15H2","""AuxInfo=1/0/N:9,8,10,7,11,18,21,17,22,14,23,13,24,5,3,6,19,16,2,20,15,12,1,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24OCCOCCCCCCCNCCNCCCCFCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-PNPFEXKCCVABSY_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2023462;70687765,COCCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,PNPFEXKCCVABSY,PNPFEXKCCVABSY-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-26-12-5-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-25(16-17)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,4,16,20,8,9,23,24,3,5,27,22,13,12,15,7,11,10,26,25,21,14,2,6/E:(3,4)(6,7)/rA:27COCCCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;d11;s23;d24;s10s25;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296;PubChemAID:659510,PMID:22465637,2012.0,PMID:22465637;PubChemAID:659510,2012;2013,0,1;0,0,0,0;1,,=,  6.600;  6.602,6.601,0.001,0.001,2.0,6.601,0.001
-PNRLOCDAUHBIHX_on_O00591_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_O14764_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_P14867_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.820;  6.290;  5.810,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P18505_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.290;  5.810;  7.820,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P18507_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_P28472_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.820;  6.290;  5.810,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P31644_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.820;  5.810;  6.290,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P34903_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.820;  5.810;  6.290,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P47869_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0,0;1;1,0,0,0,,=,  7.820;  6.290;  5.810,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P47870_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.290;  5.810;  7.820,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P48169_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  5.810;  6.290;  7.820,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_P78334_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRLOCDAUHBIHX_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1,1;1;0,0,0,0,,=,  6.290;  5.810;  7.820,6.64,0.857,0.606,3.0,6.29,0.48
-PNRLOCDAUHBIHX_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427540,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1,PNRLOCDAUHBIHX,PNRLOCDAUHBIHX-UHFFFAOYSA-N,"InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PNRQKKIYKVPVOL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL538165;44453251,COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1,PNRQKKIYKVPVOL,PNRQKKIYKVPVOL-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2O/c1-12-10-23-11-14(18(19,20)21)9-17(23)16(22-12)7-6-13-4-3-5-15(8-13)24-2/h3-5,8-11H,1-2H3","""AuxInfo=1/0/N:13,1,5,6,4,8,9,24,22,14,16,12,7,17,3,10,23,18,19,20,21,11,15,2/E:(19,20,21)/rA:24COCCCCCCCCNCCCNCCCFFFCCC/rB:s1;s2;d3;s4;d5;s6;s7;t8;s9;d10;s11;s12;d12;s14;s15;d16;s17;s18;s18;s18;s17;s10s15d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-PNSPSQVGHSAHIY_on_Q05586_WT,Medium,ChEMBL30,CHEMBL19506,Oc1nc2c(ccc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)c2)[nH]1,PNSPSQVGHSAHIY,PNSPSQVGHSAHIY-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)","""AuxInfo=1/1/N:10,9,18,23,7,19,22,6,14,24,11,13,25,16,26,8,17,15,20,5,4,2,21,27,3,12,1/E:(3,4)(6,7)(9,10)(12,13)/rA:27OCNCCCCCCCCNCCCCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s12s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072;CHEMBL747069,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  8.090;  4.420,6.255,1.835,1.835,2.0,6.255,1.835
-PNTZHPLHKAMZAC_on_P31644_WT,High,ChEMBL30,CHEMBL3681431,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(F)c(F)c2)no1,PNTZHPLHKAMZAC,PNTZHPLHKAMZAC-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)14-5-7-18(23-9-14)27-10-15-12(3)28-25-19(15)13-4-6-16(21)17(22)8-13/h4-9,11H,10H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:14,15,1,20,8,21,7,26,16,4,13,2,19,9,3,22,24,6,18,10,23,25,17,12,27,11,5,28/E:(1,2)/rA:28CCCCOCCCCCONCCCCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s24;s19d24;d18;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-PNWVKPYOOCOTSW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL450076,CC1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1,PNWVKPYOOCOTSW,PNWVKPYOOCOTSW-UHFFFAOYSA-N,"InChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-2-4-14(5-3-13)15-6-8-16(18)9-7-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,7,18,8,17,11,16,12,15,3,5,2,6,9,10,13,19,14,4,20,21/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCNCCCCCCCCCFCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s10d15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-PNXOPQMGMKWEHK_on_Q13255_WT,High,ChEMBL30,CHEMBL565972,CC(=O)c1ccc(-c2c(C)n(-c3cnccc3)nn2)cc1,PNXOPQMGMKWEHK,PNXOPQMGMKWEHK-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-11-16(14-7-5-13(6-8-14)12(2)21)18-19-20(11)15-4-3-9-17-10-15/h3-10H,1-2H3","""AuxInfo=1/0/N:10,1,16,17,5,21,6,20,15,13,9,2,4,7,12,8,14,19,18,11,3/E:(5,6)(7,8)/rA:21CCOCCCCCCCNCCNCCCNNCC/rB:s1;d2;s2;d4;s5;d6;s7;d8;s9;s9;s11;d12;s13;d14;s15;s12d16;s11;s8d18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-PNYBDVUFMGSQSL_on_P41594_WT,Low,ChEMBL30,CHEMBL389918,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccc4)c2=O)cc1,PNYBDVUFMGSQSL,PNYBDVUFMGSQSL-UHFFFAOYSA-N,"InChI=1S/C20H19N3OS/c1-4-13-8-10-14(11-9-13)23-12-21-18-17-15(22(2)3)6-5-7-16(17)25-19(18)20(23)24/h5-12H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,20,19,21,4,25,5,24,8,3,6,15,13,14,10,11,22,9,16,7,23,12/E:(2,3)(8,9)(10,11)/rA:25CCCCCCNCNCCSCCCNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PNYBDVUFMGSQSL_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11703031;CHEMBL389918,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccc4)c2=O)cc1,PNYBDVUFMGSQSL,PNYBDVUFMGSQSL-UHFFFAOYSA-N,"InChI=1S/C20H19N3OS/c1-4-13-8-10-14(11-9-13)23-12-21-18-17-15(22(2)3)6-5-7-16(17)25-19(18)20(23)24/h5-12H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,20,19,21,4,25,5,24,8,3,6,15,13,14,10,11,22,9,16,7,23,12/E:(2,3)(8,9)(10,11)/rA:25CCCCCCNCNCCSCCCNCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.023;  6.020,6.021,0.002,0.002,2.0,6.021,0.002
-POBONMIEGRSFCY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112585,NC(CCCCc1ccccc1)(C(=O)O)C1CC1C(=O)O,POBONMIEGRSFCY,POBONMIEGRSFCY-UHFFFAOYSA-N,"InChI=1S/C16H21NO4/c17-16(15(20)21,13-10-12(13)14(18)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:10,9,11,5,4,8,12,6,3,17,7,18,16,19,13,2,1,20,21,14,15/E:(2,3)(6,7)(18,19)(20,21)/rA:21NCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s2;d13;s13;s2;s16;s16s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-POBONMIEGRSFCY_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112585,NC(CCCCc1ccccc1)(C(=O)O)C1CC1C(=O)O,POBONMIEGRSFCY,POBONMIEGRSFCY-UHFFFAOYSA-N,"InChI=1S/C16H21NO4/c17-16(15(20)21,13-10-12(13)14(18)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:10,9,11,5,4,8,12,6,3,17,7,18,16,19,13,2,1,20,21,14,15/E:(2,3)(6,7)(18,19)(20,21)/rA:21NCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s2;d13;s13;s2;s16;s16s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-POELJSDUJBIBGG_on_Q13224_WT,High,ChEMBL30,CHEMBL3797704,Cn1c(=O)n(C)c2c1cc1CCCC(NCCCc3ccccc3)Cc1c2,POELJSDUJBIBGG,POELJSDUJBIBGG-UHFFFAOYSA-N,"InChI=1S/C23H29N3O/c1-25-21-15-18-11-6-12-20(14-19(18)16-22(21)26(2)23(25)27)24-13-7-10-17-8-4-3-5-9-17/h3-5,8-9,15-16,20,24H,6-7,10-14H2,1-2H3","""AuxInfo=1/0/N:1,6,22,21,23,12,17,20,24,18,11,13,16,25,9,27,19,10,26,14,8,7,3,15,2,5,4/E:(4,5)(8,9)/rA:27CNCONCCCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;s2d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s14;s10s25;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3804512,PMID:27061977,2016.0,PMID:27061977,2016,0,0,0,1,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-POHVBRMPZRVHQW_on_P14867_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-POHVBRMPZRVHQW_on_P18507_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681482;CHEMBL681404;CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.640;  6.470;  7.420;  7.390,7.23,0.449,0.259,4.0,7.405,0.125
-POHVBRMPZRVHQW_on_P28472_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681404;CHEMBL681482;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.390;  7.420;  6.470;  7.640,7.23,0.449,0.259,4.0,7.405,0.125
-POHVBRMPZRVHQW_on_P31644_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681482,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-POHVBRMPZRVHQW_on_P34903_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-POHVBRMPZRVHQW_on_P47869_WT,Low,ChEMBL30,CHEMBL54368,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1,POHVBRMPZRVHQW,POHVBRMPZRVHQW-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,21,26,24,22,6,9,3,7,19,20,8,17,12,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCCCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681404,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-PONPIIGSUWGXHH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112952,CCC1Cn2c(-c3ccc(Cl)c(OC)c3)nc(-c3cc(C)nc(C)c3)c2CCO1,PONPIIGSUWGXHH,PONPIIGSUWGXHH-UHFFFAOYSA-N,"InChI=1S/C23H26ClN3O2/c1-5-18-13-27-20(8-9-29-18)22(17-10-14(2)25-15(3)11-17)26-23(27)16-6-7-19(24)21(12-16)28-4/h6-7,10-12,18H,5,8-9,13H2,1-4H3","""AuxInfo=1/0/N:1,21,24,14,2,8,9,27,28,19,25,15,4,20,23,7,18,3,10,26,12,17,6,11,22,16,5,13,29/E:(2,3)(10,11)(14,15)/rA:29CCCCNCCCCCClCOCCNCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s12;s13;s7d12;d6;s16;s17;d18;s19;s20;d20;s22;s23;s18d23;s5d17;s26;s27;s3s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-POOJTMPDNSNHMJ_on_O15399_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_O60391_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJTMPDNSNHMJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL42350,O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O,POOJTMPDNSNHMJ,POOJTMPDNSNHMJ-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-1-2-5-6(3-4)11-9(14)7(8(5)13)12(15)16/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:12,13,9,10,7,8,4,5,15,11,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCClCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s7d12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-POOJYZDZOTYNOJ_on_Q14833_WT,High,ChEMBL30,CHEMBL4249560,Cc1nn(C2CCCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,POOJYZDZOTYNOJ,POOJYZDZOTYNOJ-UHFFFAOYSA-N,"InChI=1S/C19H20N6/c1-12-15-11-13(21-19-18-16(22-23-19)7-4-10-20-18)8-9-17(15)25(24-12)14-5-2-3-6-14/h4,7-11,14H,2-3,5-6H2,1H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,7,8,19,6,9,20,24,25,18,12,2,13,5,11,21,10,16,15,17,14,22,23,3,4/E:(2,3)(5,6)/rA:25CCNNCCCCCCCCCNCCNCCCCNNCC/rB:s1;d2;s3;s4;s5;s6;s7;s5s8;s4;s2d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s16s20;d21;s15s22;s13;s10d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-POQGXFBIGGEZEM_on_Q05586_WT,Low,ChEMBL30,CHEMBL603222,CS(=O)(=O)Nc1ccc(CCC(=O)NN2C(=O)c3c(cc(Cl)c(Cl)c3)C2=O)cc1,POQGXFBIGGEZEM,POQGXFBIGGEZEM-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O5S/c1-29(27,28)22-11-5-2-10(3-6-11)4-7-16(24)21-23-17(25)12-8-14(19)15(20)9-13(12)18(23)26/h2-3,5-6,8-9,22H,4,7H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,8,28,10,7,29,11,20,25,9,6,19,18,21,23,12,26,16,22,24,14,5,15,13,27,17,3,4,2/E:(2,3)(5,6)(8,9)(12,13)(14,15)(17,18)(19,20)(25,26)(27,28)/CRV:29.6/rA:29CSOONCCCCCCCONNCOCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;d18;s19;d20;s21;s21;s23;s18d23;s15s19;d26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-POQGXFBIGGEZEM_on_Q13224_WT,Low,ChEMBL30,CHEMBL603222,CS(=O)(=O)Nc1ccc(CCC(=O)NN2C(=O)c3c(cc(Cl)c(Cl)c3)C2=O)cc1,POQGXFBIGGEZEM,POQGXFBIGGEZEM-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O5S/c1-29(27,28)22-11-5-2-10(3-6-11)4-7-16(24)21-23-17(25)12-8-14(19)15(20)9-13(12)18(23)26/h2-3,5-6,8-9,22H,4,7H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,8,28,10,7,29,11,20,25,9,6,19,18,21,23,12,26,16,22,24,14,5,15,13,27,17,3,4,2/E:(2,3)(5,6)(8,9)(12,13)(14,15)(17,18)(19,20)(25,26)(27,28)/CRV:29.6/rA:29CSOONCCCCCCCONNCOCCCCClCClCCOCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;d16;s16;d18;s19;d20;s21;s21;s23;s18d23;s15s19;d26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-POSMUJQZGLBEIJ_on_P41594_WT,High,ChEMBL30,CHEMBL2408561,N#Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1,POSMUJQZGLBEIJ,POSMUJQZGLBEIJ-UHFFFAOYSA-N,"InChI=1S/C15H12N4O/c16-8-10-3-1-4-11(7-10)18-15-17-9-12-13(19-15)5-2-6-14(12)20/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)","""AuxInfo=1/1/N:5,16,4,6,17,15,20,2,11,3,7,12,18,13,9,1,10,8,19,14/rA:20NCCCCCCNCNCCCOCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s12s17;s9d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-POXOBEFWQQHZMC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110899,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F,POXOBEFWQQHZMC,POXOBEFWQQHZMC-UHFFFAOYSA-N,"InChI=1S/C23H21F6N3O2/c1-12-7-14(8-17(30-12)21(25)26)20-18-5-6-34-15(10-24)11-32(18)22(31-20)13-3-4-16(23(27,28)29)19(9-13)33-2/h3-4,7-9,15,21H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:12,1,28,29,20,21,10,18,4,24,26,11,5,9,23,30,14,19,3,8,15,6,31,25,16,17,32,33,34,13,7,27,2,22/E:(25,26)(27,28,29)/rA:34COCCCCNCCCCCNCCFFCCCCOCCFCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s24;s23;s6s19s26;d5;s28;s3d29;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-PPAPIXRCRCPGPU_on_P18507_WT,Low,ChEMBL30,CHEMBL567243,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,PPAPIXRCRCPGPU,PPAPIXRCRCPGPU-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PPAPIXRCRCPGPU_on_P28472_WT,Low,ChEMBL30,CHEMBL567243,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,PPAPIXRCRCPGPU,PPAPIXRCRCPGPU-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PPAPIXRCRCPGPU_on_P31644_WT,Low,ChEMBL30,CHEMBL567243,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,PPAPIXRCRCPGPU,PPAPIXRCRCPGPU-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,11,22,18,14,15,7,6,13,4,19,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-PPBYGUATKIHBBC_on_P41594_WT,High,ChEMBL30,CHEMBL3672902,Cc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1,PPBYGUATKIHBBC,PPBYGUATKIHBBC-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5OS/c1-9-18-11-2-4-20(5-3-13(11)23-9)15(22)12-6-14-17-7-10(16)8-21(14)19-12/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,22,6,21,7,20,17,14,2,15,4,11,5,19,9,16,18,3,12,8,13,10,23/rA:23CCNCCCCNCOCNNCCBrCNCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;d11;s12;s13;d14;s15;s15;d17;s13s18;s11d19;s8;s4s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-PPEUZFORHXIVLP_on_P41594_WT,Low,ChEMBL30,CHEMBL255748,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(Cl)cc3)c2c1,PPEUZFORHXIVLP,PPEUZFORHXIVLP-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O2/c1-3-24-19(23)15-10-18-17(21-13(2)11-22(18)12-15)9-6-14-4-7-16(20)8-5-14/h4-5,7-8,10-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,17,22,15,18,21,14,24,9,7,10,16,6,19,13,23,4,20,12,8,5,3/E:(4,5)(7,8)/rA:24CCOCOCCNCCCNCCCCCCCClCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s19;s16d21;s8s13;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-PPFNSHXKLMCXLU_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109416;CHEMBL217915,Cc1ccc(COC(=O)N2CCC(COc3ncccn3)CC2)cc1,PPFNSHXKLMCXLU,PPFNSHXKLMCXLU-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-15-3-5-16(6-4-15)14-25-19(23)22-11-7-17(8-12-22)13-24-18-20-9-2-10-21-18/h2-6,9-10,17H,7-8,11-14H2,1H3","""AuxInfo=1/0/N:1,19,3,25,4,24,12,22,18,20,11,23,14,6,2,5,13,16,8,17,21,10,9,15,7/E:(3,4)(5,6)(7,8)(9,10)(11,12)(20,21)/rA:25CCCCCCOCONCCCCOCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  5.131;  5.130,5.13,0.0,0.0,2.0,5.13,0.001
-PPJRGOFTEWVULX_on_P14867_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-PPJRGOFTEWVULX_on_P18507_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.620;  7.080;  6.890,7.197,0.309,0.21899999999999997,3.0,7.08,0.19
-PPJRGOFTEWVULX_on_P28472_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.620;  7.080;  6.890,7.197,0.309,0.21899999999999997,3.0,7.08,0.19
-PPJRGOFTEWVULX_on_P31644_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PPJRGOFTEWVULX_on_P34903_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PPJRGOFTEWVULX_on_P47869_WT,Low,ChEMBL30,CHEMBL53619,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1,PPJRGOFTEWVULX,PPJRGOFTEWVULX-UHFFFAOYSA-N,"InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3","""AuxInfo=1/0/N:16,1,23,22,24,21,25,5,27,4,28,10,14,11,13,26,20,6,9,3,7,19,8,17,12,15,18,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28COCCCCCCCCCNCCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;d22;s23;s20d24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-PPLHNABOBXLAJU_on_P14867_WT,Low,ChEMBL30,CHEMBL49388,CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PPLHNABOBXLAJU,PPLHNABOBXLAJU-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)","""AuxInfo=1/1/N:1,2,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,3,18,17,11,6,20,5,12/E:(7,8)/rA:26CCNCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-PPLHNABOBXLAJU_on_P18507_WT,Low,ChEMBL30,CHEMBL49388,CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PPLHNABOBXLAJU,PPLHNABOBXLAJU-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)","""AuxInfo=1/1/N:1,2,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,3,18,17,11,6,20,5,12/E:(7,8)/rA:26CCNCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683021;CHEMBL678632,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.820;  8.350,8.085,0.265,0.265,2.0,8.085,0.265
-PPLHNABOBXLAJU_on_P34903_WT,Low,ChEMBL30,CHEMBL49388,CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PPLHNABOBXLAJU,PPLHNABOBXLAJU-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)","""AuxInfo=1/1/N:1,2,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,3,18,17,11,6,20,5,12/E:(7,8)/rA:26CCNCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683021,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-PPLHNABOBXLAJU_on_P47870_WT,Low,ChEMBL30,CHEMBL49388,CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2,PPLHNABOBXLAJU,PPLHNABOBXLAJU-UHFFFAOYSA-N,"InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)","""AuxInfo=1/1/N:1,2,24,25,23,26,15,16,7,19,14,22,21,8,9,10,13,4,3,18,17,11,6,20,5,12/E:(7,8)/rA:26CCNCONCCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s9;d18;s8s19;s20;s6d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678632;CHEMBL683021,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.350;  7.820,8.085,0.265,0.265,2.0,8.085,0.265
-PPLNTHILZAXDAX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3759658,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)scn1,PPLNTHILZAXDAX,PPLNTHILZAXDAX-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O3S/c1-10-16(27-9-21-10)17(24)22-11-6-7-15(14(20)8-11)23-18(25)12-4-2-3-5-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,24,26,2,7,15,14,22,10,3,4,20,12,23,27,6,11,5,21,13,25/E:(2,3)(4,5)(12,13)(18,19)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCSCN/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-PPMPVGYSGJQRGN_on_Q13255_WT,High,ChEMBL30,CHEMBL2397374,CC1CN(c2cnccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,PPMPVGYSGJQRGN,PPMPVGYSGJQRGN-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c1-14-13-23(18-12-21-2-3-22-18)4-5-24(14)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,12,14-17H,4-11,13H2,1H3","""AuxInfo=1/0/N:1,8,9,11,12,19,21,23,25,17,24,6,3,2,20,18,22,5,14,16,7,10,4,13,15/E:(6,7,8)(9,10,11)(15,16,17)/rA:25CCCNCCNCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  5.920;  5.930,5.925,0.005,0.005,2.0,5.925,0.005
-PPPHDCOVPFJJHU_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11951986;CHEMBL363531,CCCc1c2ccn(CC3CC3)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,PPPHDCOVPFJJHU,PPPHDCOVPFJJHU-UHFFFAOYSA-N,"InChI=1S/C26H31N5O2/c1-2-5-23-22-14-15-31(18-19-6-7-19)24(22)12-13-25(23)33-17-4-3-16-32-21-10-8-20(9-11-21)26-27-29-30-28-26/h8-15,19H,2-7,16-18H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,2,20,19,3,11,12,25,32,24,33,14,15,6,7,21,18,9,10,26,23,5,4,13,16,27,28,31,29,30,8,22,17/E:(6,7)(8,9)(10,11)(27,28)(29,30)/rA:33CCCCCCCNCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10s11;s5s8;d13;s14;s4d15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:16005222,2005.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  6.122;  6.120,6.121,0.001,0.001,2.0,6.121,0.001
-PPQSRRCNLVAGKQ_on_P41594_WT,High,ChEMBL30,CHEMBL256213,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cocc3)c2)n1,PPQSRRCNLVAGKQ,PPQSRRCNLVAGKQ-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2O/c1-14-11-26-12-18(21(22,23)24)10-20(26)19(25-14)6-5-15-3-2-4-16(9-15)17-7-8-27-13-17/h2-4,7-13H,1H3","""AuxInfo=1/0/N:1,18,17,19,15,14,25,24,26,11,3,5,22,2,16,20,21,6,13,12,7,8,9,10,27,4,23/E:(22,23,24)/rA:27CCCNCCCFFFCCCCCCCCCCCCOCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s23;s21d24;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PPSDHKKDSGMSTM_on_P41594_WT,High,ChEMBL30,CHEMBL3702457,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(C)o4)C3=C2)cn1,PPSDHKKDSGMSTM,PPSDHKKDSGMSTM-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-13-11-25(12-24-13)20-8-18-16-4-3-5-17(19-9-22-14(2)28-19)15(16)6-7-26(18)21(27)10-23-20/h3-5,8-9,11-12H,6-7,10H2,1-2H3","""AuxInfo=1/0/N:1,23,16,15,17,12,11,26,20,7,3,27,2,22,13,14,18,25,19,5,8,21,6,28,4,10,9,24/rA:28CCCNCNCCONCCCCCCCCCCNCCOCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19s22;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-PPSDHKKDSGMSTM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702457,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(C)o4)C3=C2)cn1,PPSDHKKDSGMSTM,PPSDHKKDSGMSTM-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-13-11-25(12-24-13)20-8-18-16-4-3-5-17(19-9-22-14(2)28-19)15(16)6-7-26(18)21(27)10-23-20/h3-5,8-9,11-12H,6-7,10H2,1-2H3","""AuxInfo=1/0/N:1,23,16,15,17,12,11,26,20,7,3,27,2,22,13,14,18,25,19,5,8,21,6,28,4,10,9,24/rA:28CCCNCNCCONCCCCCCCCCCNCCOCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19s22;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PPTRTFXKPPCZLJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681561,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(F)cc2F)no1,PPTRTFXKPPCZLJ,PPTRTFXKPPCZLJ-UHFFFAOYSA-N,"InChI=1S/C22H21F2N3O4/c1-13-18(21(27-31-13)17-4-3-15(23)10-19(17)24)12-30-20-5-2-14(11-25-20)22(28)26-16-6-8-29-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,8,24,23,7,14,18,15,17,27,19,4,2,9,25,13,22,3,28,6,21,10,26,29,20,12,30,11,16,5,31/E:(6,7)(8,9)/rA:31CCCCOCCCCCONCCCOCCCNCCCCCFCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;s28;d21;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-PPTYJKAXVCCBDU_on_P14867_WT,Medium,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-PPTYJKAXVCCBDU_on_P18507_WT,Low,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682708;CHEMBL969509;CHEMBL822162;CHEMBL685337;CHEMBL823761;CHEMBL824294;CHEMBL678329;CHEMBL681480;CHEMBL681248;CHEMBL680431;CHEMBL682251;CHEMBL677847,PMID:9651158,1998.0,PMID:10890169;PMID:17875639;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10890169;PMID:10633039;PMID:10890169,2000;2007;1998;1998;1998;1998;2000;2000;2000;2000;2000;2000,0,0;1;0;0;0;0;0;0;0;0;0;0,0,1;0;1;1;1;1;1;1;1;1;1;1,0,,=,  8.960;  8.850;  8.660;  8.680;  8.350;  8.600;  8.660;  8.680;  8.600;  8.230;  8.350;  8.410,8.586,0.20600000000000002,0.062,12.0,8.63,0.135
-PPTYJKAXVCCBDU_on_P28472_WT,Low,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822162;CHEMBL824294;CHEMBL685337;CHEMBL823761;CHEMBL678329;CHEMBL681248;CHEMBL682708;CHEMBL680431;CHEMBL682251;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10890169;PMID:10890169;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  8.660;  8.600;  8.680;  8.350;  8.660;  8.600;  8.960;  8.230;  8.350;  8.680,8.577,0.20199999999999999,0.067,10.0,8.63,0.05
-PPTYJKAXVCCBDU_on_P31644_WT,Medium,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-PPTYJKAXVCCBDU_on_P34903_WT,Low,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431;CHEMBL682251;CHEMBL823761,PMID:9651158,1998.0,PMID:10890169;PMID:10633039;PMID:9651158,2000;2000;1998,0,0,0,1,0,,=,  8.230;  8.350;  8.350,8.31,0.057,0.04,3.0,8.35,0.0
-PPTYJKAXVCCBDU_on_P47869_WT,Low,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708;CHEMBL681248;CHEMBL824294,PMID:9651158,1998.0,PMID:10890169;PMID:10633039;PMID:9651158,2000;2000;1998,0,0,0,1,0,,=,  8.960;  8.600;  8.600,8.72,0.17,0.12,3.0,8.6,0.0
-PPTYJKAXVCCBDU_on_P47870_WT,Low,ChEMBL30,CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2,PPTYJKAXVCCBDU,PPTYJKAXVCCBDU-UHFFFAOYSA-N,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,10,11,9,12,18,17,23,5,19,8,15,13,16,3,7,14,6,2,20,4,21,22/E:(22,23)/CRV:20.5/rA:23CNCOCNCCCCCCCFCCCCCN+OO-C/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s11;s8d12;s13;s7;s2d15;s16;d17;s18;s19;d20;s20;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL969509;CHEMBL677847,PMID:10890169,2000.0,PMID:17875639;PMID:10890169,2007;2000,0,1;0,0,0;1,0,,=,  8.850;  8.410,8.63,0.22,0.22,2.0,8.63,0.22
-PPUZYWAKWIOTBE_on_P41594_WT,Low,ChEMBL30,CHEMBL2338573,CN(C)c1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)c1,PPUZYWAKWIOTBE,PPUZYWAKWIOTBE-UHFFFAOYSA-N,"InChI=1S/C22H26ClN3O2/c1-26(2)20-11-4-7-16(13-20)22(28)25-19-10-5-9-18(14-19)24-21(27)15-6-3-8-17(23)12-15/h3-4,6-8,11-13,18-19H,5,9-10,14H2,1-2H3,(H,24,27)(H,25,28)","""AuxInfo=1/1/N:1,3,25,6,14,26,7,24,15,13,5,21,28,27,20,8,22,16,12,4,18,9,23,17,11,2,19,10/E:(1,2)/rA:28CNCCCCCCCONCCCCCNCOCCCClCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;d18;s18;d20;s21;s22;d22;s24;s20d25;s12s16;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PPVMZXMESIJREX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453072;CHEMBL257314,Cc1cn2cc(C(N)=O)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1,PPVMZXMESIJREX,PPVMZXMESIJREX-UHFFFAOYSA-N,"InChI=1S/C18H12F3N3O/c1-11-9-24-10-13(17(22)25)8-16(24)15(23-11)6-5-12-3-2-4-14(7-12)18(19,20)21/h2-4,7-10H,1H3,(H2,22,25)","""AuxInfo=1/1/N:1,23,24,22,14,13,16,10,3,5,2,15,6,17,12,11,7,18,19,20,21,8,25,4,9/E:(19,20,21)/rA:25CCCNCCCNOCCCCCCCCCFFFCCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s6;s4d10;s11;s12;t13;s14;d15;s16;s17;s18;s18;s18;d17;s22;s15d23;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-PPWLYNRCVNCXAA_on_Q14833_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL551635;CHEMBL551635;CHEMBL551635;42644786,COc1c(F)ccc(NC(=O)c2ccccn2)c1,PPWLYNRCVNCXAA,PPWLYNRCVNCXAA-UHFFFAOYSA-N,"InChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,14,15,13,7,6,16,18,8,4,12,3,10,5,17,9,11,2/rA:18COCCFCCCNCOCCCCCNC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662;CHEMBL3610662;CHEMBL1034756;PubChemAID:2180,PubChemAID:2197,2009.0,PMID:26231155;PMID:26231155;PMID:19469556;PubChemAID:2180,2015;2015;2009;2009,1;1;0;0,0;0;1;0,0,0,0;0;0;1,,=,  7.500;  7.500;  6.110; 12.219,8.332,2.315,1.3359999999999999,4.0,7.5,0.695
-PPXUWNRZEJBIOV_on_Q14833_WT,High,ChEMBL30,CHEMBL3798517,CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)nc1,PPXUWNRZEJBIOV,PPXUWNRZEJBIOV-UHFFFAOYSA-N,"InChI=1S/C18H16ClN5O2/c1-2-11-9-22-18(23-10-11)26-15-6-5-12(8-13(15)19)24-17(25)16-14(20)4-3-7-21-16/h3-10H,2,20H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,2,20,19,23,24,21,11,4,26,3,12,9,17,8,16,14,6,10,18,22,5,25,13,15,7/E:(9,10)(22,23)/rA:26CCCCNCOCCClCCNCOCCNCCCNCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;s17;d19;s20;s16d21;s12;s8d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=, 10.190;  7.190,8.69,1.5,1.5,2.0,8.69,1.5
-PPZNXMFRWJRGBP_on_Q05586_WT,High,ChEMBL30,CHEMBL401100,CS(=O)(=O)N(CCCO)c1c2nc(O)c(O)nc2cc(Cl)c1Cl,PPZNXMFRWJRGBP,PPZNXMFRWJRGBP-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3O5S/c1-23(21,22)17(3-2-4-18)10-8(14)6(13)5-7-9(10)16-12(20)11(19)15-7/h5,18H,2-4H2,1H3,(H,15,19)(H,16,20)","""AuxInfo=1/1/N:1,7,6,8,19,20,18,22,11,10,15,13,21,23,17,12,5,9,16,14,3,4,2/E:(21,22)/CRV:23.6/rA:23CSOONCCCOCCNCOCONCCCClCCl/rB:s1;d2;d2;s2;s5;s6;s7;s8;s5;d10;s11;d12;s13;s13;s15;d15;s11s17;d18;s19;s20;s10d20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-PQDMOMITSWRZAF_on_P41594_WT,High,ChEMBL30,CHEMBL1808871,O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1,PQDMOMITSWRZAF,PQDMOMITSWRZAF-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O/c21-17-7-2-6-15(12-17)18-10-9-16(13-22-18)19-8-3-11-23(19)20(24)14-4-1-5-14/h2,6-7,9-10,12-14,19H,1,3-5,8,11H2","""AuxInfo=1/0/N:5,18,9,4,6,17,19,10,13,14,8,22,24,3,16,12,20,15,11,2,21,23,7,1/E:(4,5)/rA:24OCCCCCNCCCCCCCCCCCCCClCNC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s7s10;s11;d12;s13;d14;s15;d16;s17;d18;s19;s20;s16d20;s15;s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  6.440;  7.640,7.04,0.6,0.6,2.0,7.04,0.6
-PQFSNCPHJWDIBO_on_P41594_WT,High,ChEMBL30,CHEMBL3644389,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)COC4)C3=C2)cn1,PQFSNCPHJWDIBO,PQFSNCPHJWDIBO-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,13,12,26,8,4,22,24,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10,23/E:(11,12)/rA:28CCCCNCNCCONCCCCCCCCCFCOCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-PQFSNCPHJWDIBO_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644389,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)COC4)C3=C2)cn1,PQFSNCPHJWDIBO,PQFSNCPHJWDIBO-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-2-14-10-25(13-24-14)19-8-18-16-4-3-5-17(21(22)11-28-12-21)15(16)6-7-26(18)20(27)9-23-19/h3-5,8,10,13H,2,6-7,9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,13,12,26,8,4,22,24,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10,23/E:(11,12)/rA:28CCCCNCNCCONCCCCCCCCCFCOCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PQGBVTXVOBDHIA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3898121,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,PQGBVTXVOBDHIA,PQGBVTXVOBDHIA-UHFFFAOYSA-N,"InChI=1S/C22H19F4N3O2/c23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26/h1-6,9-10,20H,7-8,11-12H2,(H2,27,30)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,21,29,5,18,28,17,7,10,14,6,30,4,23,2,24,11,25,26,27,1,31,19,3,22/E:(2,3)(4,5)(24,25,26)/rA:31NCOCCCCCCCFCCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-PQGUPGHUEOUVKY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3924490,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,PQGUPGHUEOUVKY,PQGUPGHUEOUVKY-UHFFFAOYSA-N,"InChI=1S/C25H22F4N4O3/c1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-17-18(10-21(23(30)34)32-20(17)8-14)16-7-5-15(36-2)9-19(16)26/h4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34)","""AuxInfo=1/1/N:1,19,2,10,16,11,15,30,20,23,8,6,31,9,17,14,12,13,21,29,24,5,25,3,33,22,34,35,36,26,32,28,7,27,4,18/E:(27,28,29)/rA:36CCCOCCNCCCCCCCCCCOCCCFCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s21;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s7;s5d31;s3;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.820;  7.800,7.81,0.01,0.01,2.0,7.81,0.01
-PQJCIDNUVCXXID_on_O00222_WT,High,ChEMBL30,CHEMBL4100788,NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1O)C(=O)O,PQJCIDNUVCXXID,PQJCIDNUVCXXID-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)4-5-22(20,21)11(17)6-2-1-3-8(9(6)14)13(18)19/h1-3,7,11,14,17H,4-5,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:12,11,13,3,4,10,2,14,18,20,8,1,15,19,21,22,9,16,17,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCCN+OO-COCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.670,4.67,0.0,0.0,1.0,4.67,0.0
-PQJCIDNUVCXXID_on_Q14833_WT,High,ChEMBL30,CHEMBL4100788,NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1O)C(=O)O,PQJCIDNUVCXXID,PQJCIDNUVCXXID-UHFFFAOYSA-N,"InChI=1S/C11H15N2O8P/c12-7(10(15)16)4-5-22(20,21)11(17)6-2-1-3-8(9(6)14)13(18)19/h1-3,7,11,14,17H,4-5,12H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:12,11,13,3,4,10,2,14,18,20,8,1,15,19,21,22,9,16,17,6,7,5/E:(15,16)(18,19)(20,21)/CRV:13.5/rA:22NCCCPOOCOCCCCCN+OO-COCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;d15;s15;s10d14;s18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-PQMSEAQCSMJNQF_on_P41594_WT,Low,ChEMBL30,CHEMBL208326,Clc1ccc(Sc2nc(-c3cnccc3)ncc2)cc1,PQMSEAQCSMJNQF,PQMSEAQCSMJNQF-UHFFFAOYSA-N,InChI=1S/C15H10ClN3S/c16-12-3-5-13(6-4-12)20-14-7-9-18-15(19-14)11-2-1-8-17-10-11/h1-10H,"""AuxInfo=1/0/N:14,15,3,20,4,19,18,13,17,11,10,2,5,7,9,1,12,16,8,6/E:(3,4)(5,6)/rA:20ClCCCCSCNCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s5;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PQPUUIAXYMGCEL_on_P31644_WT,High,ChEMBL30,CHEMBL3676432,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(C2CCCCN2)no1,PQPUUIAXYMGCEL,PQPUUIAXYMGCEL-UHFFFAOYSA-N,"InChI=1S/C20H28N4O4/c1-13-15(18(24-28-13)16-6-4-5-9-21-16)11-27-17-8-7-14(10-22-17)19(26)23-20(2,3)12-25/h7-8,10,16,21,25H,4-6,9,11-12H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,14,15,23,24,22,8,7,25,18,4,16,2,9,3,21,6,20,10,13,26,19,12,27,17,11,5,28/E:(2,3)/rA:28CCCCOCCCCCONCCCCOCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;s21;s22;s23;s24;s21s25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-PQQJZVOILCUNMH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3958138,CC1CC=C(c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)CC1,PQQJZVOILCUNMH,PQQJZVOILCUNMH-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,3,28,16,4,27,15,22,23,26,7,18,2,17,5,14,6,13,8,20,24,9,10,12,19,21,25,11/E:(8,9)(20,21)(26,27)/rA:28CCCCCCCCCNONCCCCCCNCOCCCOCCC/rB:s1;s2;s3;w?4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;s13d17;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-PQSQDCRSWYCOFQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205363,COc1ccc(-n2cnc3c(sc4c3c(Nc3ccncc3)ncn4)c2=O)cc1,PQSQDCRSWYCOFQ,PQSQDCRSWYCOFQ-UHFFFAOYSA-N,"InChI=1S/C20H14N6O2S/c1-28-14-4-2-13(3-5-14)26-11-24-16-15-18(25-12-6-8-21-9-7-12)22-10-23-19(15)29-17(16)20(26)27/h2-11H,1H3,(H,21,22,23,25)","""AuxInfo=1/1/N:1,5,28,4,29,18,22,19,21,24,8,17,6,3,14,10,11,15,13,26,20,23,25,9,16,7,27,2,12/E:(2,3)(4,5)(6,7)(8,9)/rA:29COCCCCNCNCCSCCCNCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;s7s11;d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-PQTOTYDYUAADCW_on_P41594_WT,Medium,ChEMBL30,CHEMBL186917,c1cnc(-c2nn(-c3ccccc3Oc3cnccc3)nn2)cc1,PQTOTYDYUAADCW,PQTOTYDYUAADCW-UHFFFAOYSA-N,InChI=1S/C17H12N6O/c1-2-9-16(24-13-6-5-10-18-12-13)15(8-1)23-21-17(20-22-23)14-7-3-4-11-19-14/h1-12H,"""AuxInfo=1/0/N:10,11,24,1,19,20,23,9,12,18,2,16,15,4,8,13,5,17,3,22,6,21,7,14/rA:24CCNCCNNCCCCCCOCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s13;s14;d15;s16;d17;s18;s15d19;s7;s5d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-PQUPYDFGJIHRPI_on_P41594_WT,Low,ChEMBL30,CHEMBL386935,CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCC2)c1=O,PQUPYDFGJIHRPI,PQUPYDFGJIHRPI-UHFFFAOYSA-N,"InChI=1S/C17H20N4OS/c1-20(2)12-7-8-18-16-13(12)14-15(23-16)17(22)21(10-19-14)9-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,9,8,16,14,17,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(3,4)(5,6)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s17s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PQUPYDFGJIHRPI_on_Q13255_WT,High,ChEMBL30,CHEMBL386935,CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCC2)c1=O,PQUPYDFGJIHRPI,PQUPYDFGJIHRPI-UHFFFAOYSA-N,"InChI=1S/C17H20N4OS/c1-20(2)12-7-8-18-16-13(12)14-15(23-16)17(22)21(10-19-14)9-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,9,8,16,14,17,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(3,4)(5,6)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s17s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-PQYHOGKJFWWOKR_on_P41594_WT,High,ChEMBL30,CHEMBL2151471,Cc1cccc(-c2noc(C3CN(C(=O)c4ccc(Cl)cc4)C3)n2)c1,PQYHOGKJFWWOKR,PQYHOGKJFWWOKR-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-3-2-4-14(9-12)17-21-18(25-22-17)15-10-23(11-15)19(24)13-5-7-16(20)8-6-13/h2-9,15H,10-11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,17,22,18,21,25,12,23,2,16,6,11,19,7,10,14,20,24,8,13,15,9/E:(5,6)(7,8)(10,11)/rA:25CCCCCCCNOCCCNCOCCCCClCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s19;s16d21;s11s13;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PQYUZQUNWXAGHW_on_P41594_WT,High,ChEMBL30,CHEMBL381192,Clc1cncc(OC2C=C(C#Cc3ncccc3)CCC2)c1,PQYUZQUNWXAGHW,PQYUZQUNWXAGHW-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2","""AuxInfo=1/0/N:17,16,20,19,18,21,11,12,15,9,22,3,5,10,2,13,8,6,1,4,14,7/rA:22ClCCNCCOCCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;w?9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s19;s8s20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-PRAPAJSGMGWZLK_on_P14867_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-PRAPAJSGMGWZLK_on_P18507_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273620;CHEMBL1273617;CHEMBL1273616;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300;  6.920;  5.300;  5.400;  5.970;  5.300,5.6979999999999995,0.596,0.267,6.0,5.35,0.05
-PRAPAJSGMGWZLK_on_P28472_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273615;CHEMBL1273620;CHEMBL1273616;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300;  5.400;  6.920;  5.300;  5.970;  5.300,5.6979999999999995,0.596,0.267,6.0,5.35,0.05
-PRAPAJSGMGWZLK_on_P31644_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-PRAPAJSGMGWZLK_on_P34903_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-PRAPAJSGMGWZLK_on_P47869_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-PRAPAJSGMGWZLK_on_P48169_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-PRAPAJSGMGWZLK_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269060,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,PRAPAJSGMGWZLK,PRAPAJSGMGWZLK-UHFFFAOYSA-N,"InChI=1S/C36H30N4O4/c1-35(2,3)43-33(41)29-17-25-23-15-21(11-13-27(23)39-31(25)19-37-29)9-7-8-10-22-12-14-28-24(16-22)26-18-30(38-20-32(26)40-28)34(42)44-36(4,5)6/h11-20,39-40H,1-6H3","""AuxInfo=1/0/N:1,3,4,38,39,40,20,21,19,22,17,28,16,27,43,24,9,41,12,31,18,23,44,25,10,42,15,26,8,33,11,30,6,34,2,37,13,32,14,29,7,35,5,36/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44CCCCOCOCCCCCNNCCCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;t21;s22;d23;s24;d25;s26;s23d27;s26;s29;d30;s31;d32;s33;d34;s34;s36;s37;s37;s37;s33;s25s30d41;s18;s10s15d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-PRJKNHOMHKJCEJ_on_P14867_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4398029;CHEMBL4398029;CHEMBL894099;CHEMBL894099;CHEMBL678325,PMID:11412984,2001.0,PMID:31117514;PMID:31117514;PMID:17655213;PMID:17655213;PMID:11412984,2019;2019;2007;2007;2001,0,1,0,0,0,,=,  4.610;  4.620;  3.860;  3.860;  3.509,4.092,0.446,0.223,5.0,3.86,0.35100000000000003
-PRJKNHOMHKJCEJ_on_P18505_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL894099,PMID:17655213,2007.0,PMID:17655213,2007,0,1,0,0,0,,=,  3.860;  3.860,3.86,0.0,0.0,2.0,3.86,0.0
-PRJKNHOMHKJCEJ_on_P18507_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4398029;CHEMBL4398035;CHEMBL4398033;CHEMBL4398029;CHEMBL4398033;CHEMBL4398035;CHEMBL682418;CHEMBL682715;CHEMBL678325;CHEMBL681094;CHEMBL679474;CHEMBL682825;CHEMBL894099;CHEMBL894099,PMID:11412984,2001.0,PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:31117514;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:17655213;PMID:17655213,2019;2019;2019;2019;2019;2019;2001;2001;2001;2001;2001;2001;2007;2007,0,1,0,0,0,,=,  4.610;  5.760;  4.720;  4.620;  4.730;  5.750;  3.337;  3.222;  3.509;  3.469;  3.377;  3.523;  3.860;  3.860,4.168,0.8370000000000001,0.23199999999999998,14.0,3.86,0.58
-PRJKNHOMHKJCEJ_on_P28472_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682715;CHEMBL678325;CHEMBL682418;CHEMBL679474;CHEMBL681094;CHEMBL682825,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.222;  3.509;  3.337;  3.377;  3.469;  3.523,3.406,0.106,0.048,6.0,3.423,0.086
-PRJKNHOMHKJCEJ_on_P31644_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679474;CHEMBL4398035;CHEMBL4398035,PMID:11412984,2001.0,PMID:11412984;PMID:31117514;PMID:31117514,2001;2019;2019,0,1,0,0,0,,=,  3.377;  5.760;  5.750,4.962,1.121,0.7929999999999999,3.0,5.75,0.01
-PRJKNHOMHKJCEJ_on_P34903_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682825,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-PRJKNHOMHKJCEJ_on_P47869_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682715,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.222,3.222,0.0,0.0,1.0,3.222,0.0
-PRJKNHOMHKJCEJ_on_P47870_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4398029;CHEMBL4398035;CHEMBL4398033;CHEMBL4398035;CHEMBL4398033;CHEMBL4398029,PMID:31117514,2019.0,PMID:31117514,2019,0,1,0,0,0,,=,  4.620;  5.760;  4.720;  5.750;  4.730;  4.610,5.032,0.513,0.23,6.0,4.725,0.11
-PRJKNHOMHKJCEJ_on_P48169_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681094;CHEMBL4398033;CHEMBL4398033,PMID:11412984,2001.0,PMID:11412984;PMID:31117514;PMID:31117514,2001;2019;2019,0,1,0,0,0,,=,  3.469;  4.720;  4.730,4.306,0.5920000000000001,0.419,3.0,4.72,0.01
-PRJKNHOMHKJCEJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL784,O=C(O)Cc1c[nH]cn1,PRJKNHOMHKJCEJ,PRJKNHOMHKJCEJ-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:4,6,8,5,2,7,9,1,3/E:(8,9)/rA:9OCOCCCNCN/rB:d1;s2;s2;s4;d5;s6;s7;s5d8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.337,3.3369999999999997,0.0,0.0,1.0,3.3369999999999997,0.0
-PRJQXSOQQOQPMA_on_P41594_WT,High,ChEMBL30,CHEMBL3655607,Cc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1,PRJQXSOQQOQPMA,PRJQXSOQQOQPMA-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O2/c1-12-8-9-15(11-20-12)24-17-7-3-6-16(21-17)22-18(23)13-4-2-5-14(19)10-13/h2-11H,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,17,9,16,18,10,8,3,4,21,23,2,15,19,5,11,7,13,20,24,22,12,14,6/rA:24CCCCCOCCCCCNCOCCCCCClCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7d11;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-PRJVWGMKHQGPHN_on_P41594_WT,High,ExCAPE-DB,71712576,Oc1c2sc(C#Cc3ccccc3)nc2cn1C1CCCC1,PRJVWGMKHQGPHN,PRJVWGMKHQGPHN-UHFFFAOYSA-N,"InChI=1S/C18H16N2OS/c21-18-17-15(12-20(18)14-8-4-5-9-14)19-16(22-17)11-10-13-6-2-1-3-7-13/h1-3,6-7,12,14,21H,4-5,8-9H2","""AuxInfo=1/0/N:11,10,12,20,21,9,13,19,22,7,6,16,8,18,15,5,3,2,14,17,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:22OCCSCCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;s4;s5;t6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;d15;s2s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037,PubChemAID:759037,2014.0,PubChemAID:759037,2014,0,0,0,0,1,,=,  8.602,8.602,0.0,0.0,1.0,8.602,0.0
-PRKGVNLFLZWPMQ_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL185290;11626305,CC(C)CC(=O)c1c(O)c(Br)c(OCCCCSc2ccncc2)cc1,PRKGVNLFLZWPMQ,PRKGVNLFLZWPMQ-UHFFFAOYSA-N,"InChI=1S/C20H24BrNO3S/c1-14(2)13-17(23)16-5-6-18(19(21)20(16)24)25-11-3-4-12-26-15-7-9-22-10-8-15/h5-10,14,24H,3-4,11-13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,26,25,20,24,21,23,14,17,4,2,19,7,5,12,10,8,11,22,6,9,13,18/E:(1,2)(7,8)(9,10)/rA:26CCCCCOCCOCBrCOCCCCSCCCNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s8;s10;d10;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  6.170;  6.170,6.17,0.0,0.0,2.0,6.17,0.0
-PRMUAHRQMWIUTN_on_Q13255_WT,High,ChEMBL30,CHEMBL567667,CN(C(=O)c1c(F)cccc1)c1nc(-c2ccncc2)cs1,PRMUAHRQMWIUTN,PRMUAHRQMWIUTN-UHFFFAOYSA-N,"InChI=1S/C16H12FN3OS/c1-20(15(21)12-4-2-3-5-13(12)17)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,16,20,17,19,21,15,5,6,14,3,12,7,18,13,2,4,22/E:(6,7)(8,9)/rA:22CNCOCCFCCCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-PROXRCDCVYPCJB_on_P41594_WT,High,ChEMBL30,CHEMBL404681,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(Cl)cccc2)n1,PROXRCDCVYPCJB,PROXRCDCVYPCJB-UHFFFAOYSA-N,"InChI=1S/C17H10ClF3N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)7-6-12-4-2-3-5-14(12)18/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,21,20,22,19,15,14,11,3,5,2,16,6,17,13,12,7,18,8,9,10,23,4/E:(19,20,21)/rA:23CCCNCCCFFFCCCCCCCClCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s17;d19;s20;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-PRQNPTSOILNGAW_on_P18505_WT,Low,ChEMBL30,CHEMBL4244129,O=C(c1ccc2ccccc2c1)C(F)(F)C(NCc1ccccc1)c1ccccc1,PRQNPTSOILNGAW,PRQNPTSOILNGAW-UHFFFAOYSA-N,"InChI=1S/C26H21F2NO/c27-26(28,25(30)23-16-15-20-11-7-8-14-22(20)17-23)24(21-12-5-2-6-13-21)29-18-19-9-3-1-4-10-19/h1-17,24,29H,18H2","""AuxInfo=1/0/N:22,28,21,23,27,29,8,9,20,24,7,26,30,10,5,4,12,18,19,6,25,11,3,16,2,13,14,15,17,1/E:(3,4)(5,6)(9,10)(12,13)(27,28)/rA:30OCCCCCCCCCCCCFFCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s6s10;s3d11;s2;s13;s13;s13;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-PRQNPTSOILNGAW_on_P47870_WT,Low,ChEMBL30,CHEMBL4244129,O=C(c1ccc2ccccc2c1)C(F)(F)C(NCc1ccccc1)c1ccccc1,PRQNPTSOILNGAW,PRQNPTSOILNGAW-UHFFFAOYSA-N,"InChI=1S/C26H21F2NO/c27-26(28,25(30)23-16-15-20-11-7-8-14-22(20)17-23)24(21-12-5-2-6-13-21)29-18-19-9-3-1-4-10-19/h1-17,24,29H,18H2","""AuxInfo=1/0/N:22,28,21,23,27,29,8,9,20,24,7,26,30,10,5,4,12,18,19,6,25,11,3,16,2,13,14,15,17,1/E:(3,4)(5,6)(9,10)(12,13)(27,28)/rA:30OCCCCCCCCCCCCFFCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s6s10;s3d11;s2;s13;s13;s13;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-PRULUDPHQJINOO_on_P41594_WT,High,ChEMBL30,CHEMBL2338560,O=C(NC1CCCC(C(=O)Nc2cc(Cl)ccc2)C1)c1ncccc1,PRULUDPHQJINOO,PRULUDPHQJINOO-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-14-6-4-8-16(12-14)22-18(24)13-5-3-7-15(11-13)23-19(25)17-9-1-2-10-21-17/h1-2,4,6,8-10,12-13,15H,3,5,7,11H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:24,23,6,17,7,16,5,18,25,22,19,13,8,14,4,12,20,9,2,15,21,11,3,10,1/rA:25OCNCCCCCCONCCCClCCCCCNCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-PRUQRKPURHYKRP_on_O00591_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_O14764_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P14867_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P18505_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P18507_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P28472_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P31644_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P34903_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P47869_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P47870_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P48169_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_P78334_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_Q16445_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PRUQRKPURHYKRP_on_Q99928_WT,Low,ChEMBL30,CHEMBL329379,O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1,PRUQRKPURHYKRP,PRUQRKPURHYKRP-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-12(7-8)22-15(19-13)20-11-5-3-1-2-4-10(11)18-14(20)21/h6-7,10-11H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,16,17,20,4,10,15,14,2,12,18,21,3,13,11,1,22/rA:22OCNCCCCCCCNCNCCCCFCCFO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s17;s14d19;s20;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-PSDFROGPPFTBND_on_P14867_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329;CHEMBL676825,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:8627617,1998;2000;1996,0,0,0,1,0,,=,  8.000;  8.000;  8.000,8.0,0.0,0.0,3.0,8.0,0.0
-PSDFROGPPFTBND_on_P18507_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681480;CHEMBL676825;CHEMBL681840;CHEMBL678740;CHEMBL682251;CHEMBL681248;CHEMBL685338;CHEMBL823916;CHEMBL822165;CHEMBL824296,PMID:8627617,1996.0,PMID:10633039;PMID:10633039;PMID:8627617;PMID:8627617;PMID:8627617;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;1996;1996;1996;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  8.000;  8.780;  8.000;  7.650;  7.780;  7.780;  7.650;  8.780;  7.780;  8.000;  7.650,7.986000000000001,0.396,0.125,11.0,7.78,0.13
-PSDFROGPPFTBND_on_P28472_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL824296;CHEMBL685338;CHEMBL822165;CHEMBL681480;CHEMBL678329;CHEMBL682251;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  7.780;  7.650;  8.780;  8.000;  8.780;  8.000;  7.780;  7.650,8.052999999999999,0.43799999999999994,0.166,8.0,7.89,0.175
-PSDFROGPPFTBND_on_P31644_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.780;  8.780,8.78,0.0,0.0,2.0,8.78,0.0
-PSDFROGPPFTBND_on_P34903_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678740;CHEMBL823916;CHEMBL682251,PMID:8627617,1996.0,PMID:8627617;PMID:9767648;PMID:10633039,1996;1998;2000,0,0,0,1,0,,=,  7.780;  7.780;  7.780,7.78,0.0,0.0,3.0,7.78,0.0
-PSDFROGPPFTBND_on_P47869_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248;CHEMBL681840,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:8627617,1998;2000;1996,0,0,0,1,0,,=,  7.650;  7.650;  7.650,7.65,0.0,0.0,3.0,7.65,0.0
-PSDFROGPPFTBND_on_P47870_WT,Low,ChEMBL30,CHEMBL59180,CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O,PSDFROGPPFTBND,PSDFROGPPFTBND-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3","""AuxInfo=1/0/N:1,18,22,2,17,3,9,8,5,20,11,4,6,7,19,13,23,14,12,21,10,24,15,16/rA:24CCCCCCCCCNCNCCOOCCCCNCCO/rB:s1;t2;s3;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;s13;d14;s14;s16;s17;s10d13;s19;s20;s21;s6s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678740;CHEMBL681840;CHEMBL676825,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  7.780;  7.650;  8.000,7.81,0.14400000000000002,0.102,3.0,7.78,0.13
-PSFDQSOCUJVVGF_on_O00591_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_O14764_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P14867_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P18505_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P18507_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P28472_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P31644_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P34903_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P47869_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P47870_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P48169_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_P78334_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_Q16445_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSFDQSOCUJVVGF_on_Q99928_WT,Low,ChEMBL30,CHEMBL12014,Cc1c2[nH]c3c(cccc3)c2ccn1,PSFDQSOCUJVVGF,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,8,9,7,10,12,13,2,6,11,5,3,14,4/rA:14CCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3s6;d11;s12;s2d13;/rC:;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-PSIQSWXUYHNQBQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634425,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2,PSIQSWXUYHNQBQ,PSIQSWXUYHNQBQ-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:10,1,27,28,26,14,15,11,12,3,9,2,4,20,24,16,21,8,6,18,22,25,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCFCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.310;  7.310,7.31,0.0,0.0,2.0,7.31,0.0
-PSIQSWXUYHNQBQ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634425,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2,PSIQSWXUYHNQBQ,PSIQSWXUYHNQBQ-UHFFFAOYSA-N,"InChI=1S/C21H15FN2O4/c1-11-8-9-28-18(11)19(25)23-13-6-7-16(12(2)10-13)24-20(26)14-4-3-5-15(22)17(14)21(24)27/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:10,1,27,28,26,14,15,11,12,3,9,2,4,20,24,16,21,8,6,18,22,25,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCFCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-PSIUKUAVWWOLJH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57388817;CHEMBL2408585,O=C1CCCc2c1cnc(Nc1cc(Cl)ccc1)n2,PSIUKUAVWWOLJH,PSIUKUAVWWOLJH-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)","""AuxInfo=1/1/N:17,4,16,18,5,3,13,8,14,12,7,6,2,10,15,9,11,19,1/rA:19OCCCCCCCNCNCCCClCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.921;  6.920,6.921,0.001,0.001,2.0,6.921,0.001
-PSJFLWGMIOSZTL_on_Q05586_WT,Low,ChEMBL30,CHEMBL593220,CS(=O)(=O)Nc1ccc(OCC(=O)NCCOc2cc(Cl)c(Cl)cc2)cc1,PSJFLWGMIOSZTL,PSJFLWGMIOSZTL-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O5S/c1-27(23,24)21-12-2-4-13(5-3-12)26-11-17(22)20-8-9-25-14-6-7-15(18)16(19)10-14/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,7,27,8,26,25,24,15,16,19,11,6,9,18,22,20,12,23,21,14,5,13,3,4,17,10,2/E:(2,3)(4,5)(23,24)/CRV:27.6/rA:27CSOONCCCCOCCONCCOCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PSJFLWGMIOSZTL_on_Q13224_WT,Low,ChEMBL30,CHEMBL593220,CS(=O)(=O)Nc1ccc(OCC(=O)NCCOc2cc(Cl)c(Cl)cc2)cc1,PSJFLWGMIOSZTL,PSJFLWGMIOSZTL-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O5S/c1-27(23,24)21-12-2-4-13(5-3-12)26-11-17(22)20-8-9-25-14-6-7-15(18)16(19)10-14/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,7,27,8,26,25,24,15,16,19,11,6,9,18,22,20,12,23,21,14,5,13,3,4,17,10,2/E:(2,3)(4,5)(23,24)/CRV:27.6/rA:27CSOONCCCCOCCONCCOCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PSKQNMRGQBYCGH_on_Q05586_WT,Low,ChEMBL30,CHEMBL159762,N=C(C=Cc1ccccc1)NCc1cc(Cl)ccc1,PSKQNMRGQBYCGH,PSKQNMRGQBYCGH-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-8-4-7-14(11-15)12-19-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,18,6,10,19,17,4,3,14,12,5,13,15,2,16,1,11/E:(2,3)(5,6)/rA:19NCCCCCCCCCNCCCCClCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-PSKQNMRGQBYCGH_on_Q13224_WT,Low,ChEMBL30,CHEMBL159762,N=C(C=Cc1ccccc1)NCc1cc(Cl)ccc1,PSKQNMRGQBYCGH,PSKQNMRGQBYCGH-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-8-4-7-14(11-15)12-19-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:8,7,9,18,6,10,19,17,4,3,14,12,5,13,15,2,16,1,11/E:(2,3)(5,6)/rA:19NCCCCCCCCCNCCCCClCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-PSQSAQVJYBYDHR_on_Q14416_WT,High,ChEMBL30,CHEMBL3948272,Cn1ncnc1SC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,PSQSAQVJYBYDHR,PSQSAQVJYBYDHR-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N4O5S/c1-24-17(22-6-23-24)30-13-10-11(15(25)26)12(10)18(21,16(27)28)14(13)29-5-7-2-3-8(19)9(20)4-7/h2-4,6,10-14H,5,21H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,24,25,30,22,4,23,26,28,9,10,14,8,20,11,17,6,15,27,29,16,5,3,2,12,13,18,19,21,7/E:(25,26)(27,28)/rA:30CNNCNCSCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s9;s10;d11;s11;s9s10;s14;s15;s15;d17;s17;s8s15;s20;s21;s22;d23;s24;d25;s26;s26;s28;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-PSQSAQVJYBYDHR_on_Q14832_WT,High,ChEMBL30,CHEMBL3948272,Cn1ncnc1SC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,PSQSAQVJYBYDHR,PSQSAQVJYBYDHR-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N4O5S/c1-24-17(22-6-23-24)30-13-10-11(15(25)26)12(10)18(21,16(27)28)14(13)29-5-7-2-3-8(19)9(20)4-7/h2-4,6,10-14H,5,21H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,24,25,30,22,4,23,26,28,9,10,14,8,20,11,17,6,15,27,29,16,5,3,2,12,13,18,19,21,7/E:(25,26)(27,28)/rA:30CNNCNCSCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s9;s10;d11;s11;s9s10;s14;s15;s15;d17;s17;s8s15;s20;s21;s22;d23;s24;d25;s26;s26;s28;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-PSRHIRIHNOHLGZ_on_P41594_WT,High,ChEMBL30,CHEMBL3702379,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)n1,PSRHIRIHNOHLGZ,PSRHIRIHNOHLGZ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-20(2,26)15-6-4-5-14-13(15)7-10-24-18(14)11-17(21-12-19(24)25)16-8-9-23(3)22-16/h4-6,8-9,11,26H,7,10,12H2,1-3H3","""AuxInfo=1/0/N:21,22,1,17,16,18,13,4,3,12,25,8,14,15,19,5,6,24,9,20,7,26,2,11,10,23/E:(1,2)/rA:26CNCCCCNCCONCCCCCCCCCCCOCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s20;s11s15;s6w?24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-PSRHIRIHNOHLGZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702379,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)n1,PSRHIRIHNOHLGZ,PSRHIRIHNOHLGZ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O2/c1-20(2,26)15-6-4-5-14-13(15)7-10-24-18(14)11-17(21-12-19(24)25)16-8-9-23(3)22-16/h4-6,8-9,11,26H,7,10,12H2,1-3H3","""AuxInfo=1/0/N:21,22,1,17,16,18,13,4,3,12,25,8,14,15,19,5,6,24,9,20,7,26,2,11,10,23/E:(1,2)/rA:26CNCCCCNCCONCCCCCCCCCCCOCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s20;s11s15;s6w?24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PSRNSFYHNRYOGG_on_Q05586_WT,Medium,ChEMBL30,CHEMBL115883,Sc1nc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)[nH]1,PSRNSFYHNRYOGG,PSRNSFYHNRYOGG-UHFFFAOYSA-N,"InChI=1S/C23H25N3S/c27-23-24-21-10-9-19(17-22(21)25-23)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H2,24,25,27)","""AuxInfo=1/1/N:21,20,22,10,11,19,23,9,7,6,15,24,12,14,25,17,26,18,8,16,5,4,2,27,3,13,1/E:(2,3)(6,7)(11,12)(14,15)/rA:27SCNCCCCCCCCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747069;CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.120;  6.750,5.435,1.315,1.315,2.0,5.435,1.315
-PSRTXASOFPZFKH_on_P41594_WT,High,ChEMBL30,CHEMBL1779860,Cc1cc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)ccc1,PSRTXASOFPZFKH,PSRTXASOFPZFKH-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-14(2)22-12-11-19-18(20(22)23)10-9-17(21-19)8-7-16-6-4-5-15(3)13-16/h4-6,9-10,13-14H,11-12H2,1-3H3","""AuxInfo=1/0/N:15,16,1,22,23,21,5,6,8,9,18,17,3,14,2,4,7,10,19,11,20,13,12/E:(1,2)/rA:23CCCCCCCCCCCONCCCCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s14;s13;s17;s10s18;s7d19;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  6.290;  8.320,7.305,1.015,1.015,2.0,7.305,1.015
-PSSKCBVZPHCABL_on_O15399_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427;CHEMBL857544,PMID:14552795,2003.0,PMID:15225705;PMID:14552795,2004;2003,1,0,0,0,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-PSSKCBVZPHCABL_on_O60391_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-PSSKCBVZPHCABL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-PSSKCBVZPHCABL_on_Q05586_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427;CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:15225705;PMID:15225705;PMID:14552795;PMID:14552795,2004;2004;2003;2003,1,0,0,0,0,,=,  7.380;  7.510;  7.510;  7.400,7.45,0.06,0.035,4.0,7.455,0.055
-PSSKCBVZPHCABL_on_Q12879_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427;CHEMBL857544,PMID:14552795,2003.0,PMID:15225705;PMID:14552795,2004;2003,1,0,0,0,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-PSSKCBVZPHCABL_on_Q13224_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL832427;CHEMBL857544;CHEMBL828708,PMID:14552795,2003.0,PMID:14552795;PMID:15225705;PMID:14552795;PMID:15225705,2003;2004;2003;2004,1,0,0,0,0,,=,  7.400;  7.510;  7.510;  7.380,7.45,0.06,0.035,4.0,7.455,0.055
-PSSKCBVZPHCABL_on_Q14957_WT,Low,ChEMBL30,CHEMBL126228,O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1,PSSKCBVZPHCABL,PSSKCBVZPHCABL-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,8,7,15,24,14,25,17,11,4,18,16,5,9,6,3,2,12,13,10,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCCOCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s5d9;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544;CHEMBL832427,PMID:14552795,2003.0,PMID:14552795;PMID:15225705,2003;2004,1,0,0,0,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-PSTBFSJWFCHJFF_on_Q14833_WT,High,ExCAPE-DB,56587825,Clc1cccc(Nc2coc3c2nccc3)c1,PSTBFSJWFCHJFF,PSTBFSJWFCHJFF-UHFFFAOYSA-N,"InChI=1S/C13H9ClN2O/c14-9-3-1-4-10(7-9)16-11-8-17-12-5-2-6-15-13(11)12/h1-8,16H","""AuxInfo=1/0/N:4,15,3,5,16,14,17,9,2,6,8,11,12,1,13,7,10/rA:17ClCCCCCNCCOCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s11d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PSYAJOBNPBYKRW_on_P14867_WT,Low,ChEMBL30,CHEMBL3899169,Cc1ccc2N=C(N3CCN(CC(C)(C)C(=O)O)CC3)c3c(Oc2c1)sc(Cl)c3,PSYAJOBNPBYKRW,PSYAJOBNPBYKRW-UHFFFAOYSA-N,"InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)","""AuxInfo=1/1/N:1,14,15,3,4,10,19,9,20,25,29,12,2,21,5,24,27,7,22,16,13,28,6,11,8,17,18,23,26/E:(2,3)(6,7)(8,9)(26,27)/rA:29CCCCCNCNCCNCCCCCOOCCCCOCCSCClC/rB:s1;d2;s3;d4;s5;w?6;s7;s8;s9;s10;s11;s12;s13;s13;s13;d16;s16;s11;s8s19;s7;d21;s22;s5s23;s2d24;s22;s26;s27;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3889284,PATENT:US9481688B2,2016.0,PATENT:US9481688B2,2016,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-PSYNXTJTKDUEFG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3893029,Cc1ccccc1CS(=O)(=O)c1c(C)nc(NC(=O)c2ccccn2)s1,PSYNXTJTKDUEFG,PSYNXTJTKDUEFG-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3S2/c1-12-7-3-4-8-14(12)11-26(23,24)17-13(2)20-18(25-17)21-16(22)15-9-5-6-10-19-15/h3-10H,11H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,14,4,5,22,23,3,6,21,24,8,2,13,7,20,18,12,16,25,15,17,19,10,11,26,9/E:(23,24)/CRV:26.6/rA:26CCCCCCCCSOOCCCNCNCOCCCCCNS/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;d9;d9;s9;d12;s13;s13;d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-PTBISEGVNSLNQF_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3221832;90668093,CCCn1ccc2c(cccc2NCCc2ccccc2OC)c1=O,PTBISEGVNSLNQF,PTBISEGVNSLNQF-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2/c1-3-14-23-15-12-17-18(21(23)24)8-6-9-19(17)22-13-11-16-7-4-5-10-20(16)25-2/h4-10,12,15,22H,3,11,13-14H2,1-2H3","""AuxInfo=1/0/N:1,23,2,18,19,10,17,9,11,20,15,6,14,3,5,16,7,8,12,21,24,13,4,25,22/rA:25CCCNCCCCCCCCNCCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587;PubChemAID:1117859,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C;PubChemAID:1117859,2011;2015,0,1;0,0,0,0;1,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-PTEJBESGYWXURX_on_P41594_WT,Low,ChEMBL30,CHEMBL401981,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(C#N)cc2)n1,PTEJBESGYWXURX,PTEJBESGYWXURX-UHFFFAOYSA-N,"InChI=1S/C18H10F3N3/c1-12-10-24-11-15(18(19,20)21)8-17(24)16(23-12)7-6-13-2-4-14(9-22)5-3-13/h2-5,8,10-11H,1H3","""AuxInfo=1/0/N:1,17,23,18,22,15,14,11,20,3,5,2,16,19,6,13,12,7,8,9,10,21,24,4/E:(2,3)(4,5)(19,20,21)/rA:24CCCNCCCFFFCCCCCCCCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;t20;s19;s16d22;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-PTEQGNRCZQGMPZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681447,CC(C)NC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,PTEQGNRCZQGMPZ,PTEQGNRCZQGMPZ-UHFFFAOYSA-N,"InChI=1S/C20H17F4N3O3/c1-11(2)26-19(28)13-5-8-16(25-9-13)29-10-15-17(12-3-6-14(21)7-4-12)27-30-18(15)20(22,23)24/h3-9,11H,10H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,3,23,28,8,24,27,9,30,12,2,22,7,25,13,10,21,14,5,15,26,16,17,18,29,4,20,6,11,19/E:(1,2)(3,4)(6,7)(22,23,24)/rA:30CCCNCOCCCCOCCCCFFFONCCCCCFCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s25;s22d27;s10;s7d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-PTFPDJNGFQEXOG_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682792;CHEMBL1682792;53318843,O=C1CCOc2c1ccc(C#Cc1ccccc1)n2,PTFPDJNGFQEXOG,PTFPDJNGFQEXOG-UHFFFAOYSA-N,"InChI=1S/C16H11NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-5,8-9H,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,13,10,7,2,6,19,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PubChemAID:579858,2011,0,1;1;0,0,0,0;0;1,,=,  7.940;  7.940;  7.940,7.94,0.0,0.0,3.0,7.94,0.0
-PTGIFMGZNRIYMG_on_P41594_WT,Low,ChEMBL30,CHEMBL3655637,O=C(Nc1cncc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1,PTGIFMGZNRIYMG,PTGIFMGZNRIYMG-UHFFFAOYSA-N,"InChI=1S/C14H8F3N5O2S/c15-14(16,17)13-22-11(6-25-13)12(23)21-8-1-9(3-18-2-8)24-10-4-19-7-20-5-10/h1-7H,(H,21,23)","""AuxInfo=1/1/N:16,5,7,11,15,18,13,4,8,10,17,2,20,21,22,23,24,6,12,14,3,25,1,9,19/E:(4,5)(15,16,17)(19,20)/rA:25OCNCCNCCOCCNCNCCCCSCCFFFN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;s20;s21;s21;s21;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-PTHNDXWOSDSQQZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684118,O=C1NCCc2c1ccc(C#Cc1cccc(Cl)c1)c2,PTHNDXWOSDSQQZ,PTHNDXWOSDSQQZ-UHFFFAOYSA-N,"InChI=1S/C17H12ClNO/c18-15-3-1-2-12(11-15)4-5-13-6-7-16-14(10-13)8-9-19-17(16)20/h1-3,6-7,10-11H,8-9H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,12,11,9,8,5,4,20,19,13,10,6,17,7,2,18,3,1/rA:20OCNCCCCCCCCCCCCCCClCC/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-PTJKTJRYDXVUPM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1555332,CCCCc1nn2c(=O)cc(CN(CC)c3ccccc3)nc2s1,PTJKTJRYDXVUPM,PTJKTJRYDXVUPM-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-3-5-11-16-20-22-17(23)12-14(19-18(22)24-16)13-21(4-2)15-9-7-6-8-10-15/h6-10,12H,3-5,11,13H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,3,19,18,20,17,21,4,10,12,11,16,5,8,23,22,6,13,7,9,24/E:(7,8)(9,10)/rA:24CCCCCNNCOCCCNCCCCCCCCNCS/rB:s1;s2;s3;s4;d5;s6;s7;d8;s8;d10;s11;s12;s13;s14;s13;d16;s17;d18;s19;s16d20;s11;s7d22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-PTJKTJRYDXVUPM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1555332,CCCCc1nn2c(=O)cc(CN(CC)c3ccccc3)nc2s1,PTJKTJRYDXVUPM,PTJKTJRYDXVUPM-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-3-5-11-16-20-22-17(23)12-14(19-18(22)24-16)13-21(4-2)15-9-7-6-8-10-15/h6-10,12H,3-5,11,13H2,1-2H3","""AuxInfo=1/0/N:1,15,2,14,3,19,18,20,17,21,4,10,12,11,16,5,8,23,22,6,13,7,9,24/E:(7,8)(9,10)/rA:24CCCCCNNCOCCCNCCCCCCCCNCS/rB:s1;s2;s3;s4;d5;s6;s7;d8;s8;d10;s11;s12;s13;s14;s13;d16;s17;d18;s19;s16d20;s11;s7d22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-PTJXEJYDOYCHOL_on_P14867_WT,Low,ChEMBL30,CHEMBL1851667,N=c1ccc(-c2ccc(OCc3ccccc3)cc2)nn1CCCC(=O)O,PTJXEJYDOYCHOL,PTJXEJYDOYCHOL-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)","""AuxInfo=1/1/N:15,14,16,23,13,17,24,7,19,8,18,4,3,22,11,12,6,9,5,2,25,1,20,21,26,27,10/E:(2,3)(5,6)(8,9)(10,11)(25,26)/rA:27NCCCCCCCCOCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;d5;s2s20;s21;s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1799216;CHEMBL4481484,PMID:21664131,2011.0,PMID:21664131;PMID:30763084,2011;2019,1,0,0,0,0,,=,  7.960;  7.960,7.96,0.0,0.0,2.0,7.96,0.0
-PTJXEJYDOYCHOL_on_P18507_WT,Low,ChEMBL30,CHEMBL1851667,N=c1ccc(-c2ccc(OCc3ccccc3)cc2)nn1CCCC(=O)O,PTJXEJYDOYCHOL,PTJXEJYDOYCHOL-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)","""AuxInfo=1/1/N:15,14,16,23,13,17,24,7,19,8,18,4,3,22,11,12,6,9,5,2,25,1,20,21,26,27,10/E:(2,3)(5,6)(8,9)(10,11)(25,26)/rA:27NCCCCCCCCOCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;d5;s2s20;s21;s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1799216;CHEMBL4481484,PMID:21664131,2011.0,PMID:21664131;PMID:30763084,2011;2019,1,0,0,0,0,,=,  7.960;  7.960,7.96,0.0,0.0,2.0,7.96,0.0
-PTJXEJYDOYCHOL_on_P47870_WT,Low,ChEMBL30,CHEMBL1851667,N=c1ccc(-c2ccc(OCc3ccccc3)cc2)nn1CCCC(=O)O,PTJXEJYDOYCHOL,PTJXEJYDOYCHOL-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)","""AuxInfo=1/1/N:15,14,16,23,13,17,24,7,19,8,18,4,3,22,11,12,6,9,5,2,25,1,20,21,26,27,10/E:(2,3)(5,6)(8,9)(10,11)(25,26)/rA:27NCCCCCCCCOCCCCCCCCCNNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;d5;s2s20;s21;s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1799216;CHEMBL4481484,PMID:21664131,2011.0,PMID:21664131;PMID:30763084,2011;2019,1,0,0,0,0,,=,  7.960;  7.960,7.96,0.0,0.0,2.0,7.96,0.0
-PTKFSUOJIJXMBV_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3910418,Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2)sc(NC(=O)c2ccccn2)n1,PTKFSUOJIJXMBV,PTKFSUOJIJXMBV-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-5-7-13(18)8-6-12)25-17(20-11)21-15(22)14-4-2-3-9-19-14/h2-9H,10H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,23,21,9,14,10,13,24,7,2,8,11,20,18,3,16,12,25,26,17,19,5,6,15,4/E:(5,6)(7,8)(23,24)/CRV:26.6/rA:26CCCSOOCCCCCClCCSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s8d13;s3;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-PTKUANYKLGZFAX_on_P41594_WT,High,ChEMBL30,CHEMBL369310,Cc1nc(C#Cc2cnc(-c3cccnc3)cc2)cs1,PTKUANYKLGZFAX,PTKUANYKLGZFAX-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3","""AuxInfo=1/0/N:1,13,12,6,18,5,17,14,8,16,19,2,7,11,4,10,15,9,3,20/rA:20CCNCCCCCNCCCCCNCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915;CHEMBL828431,PMID:15225713,2004.0,PMID:26014480;PMID:26014480;PMID:15225713,2015;2015;2004,0;1;1,0,0,1;0;0,0,,=,  8.330;  8.210;  8.700,8.413,0.209,0.147,3.0,8.33,0.12
-PTMMCLBXSOCORB_on_P41594_WT,High,ChEMBL30,CHEMBL3644428,O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,PTMMCLBXSOCORB,PTMMCLBXSOCORB-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c25-11-14-10-23(12-22-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-24(18)20(26)9-21-19/h1-3,8,10,12-13,25H,4-7,9,11H2","""AuxInfo=1/0/N:25,24,26,22,23,17,18,13,3,12,10,7,21,9,20,16,15,14,5,2,4,8,6,19,11,1/E:(4,5)/rA:26OCCNCNCNCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;s21;s21s22;d20;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-PTMMCLBXSOCORB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644428,O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,PTMMCLBXSOCORB,PTMMCLBXSOCORB-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c25-11-14-10-23(12-22-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-24(18)20(26)9-21-19/h1-3,8,10,12-13,25H,4-7,9,11H2","""AuxInfo=1/0/N:25,24,26,22,23,17,18,13,3,12,10,7,21,9,20,16,15,14,5,2,4,8,6,19,11,1/E:(4,5)/rA:26OCCNCNCNCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s6d9;s5;w?13;s14;d15;s16;s17;s2s14s18;s16;s20;s21;s21s22;d20;s24;s15d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-PTOSABMDJTWDLR_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013199,CCCNCc1c2nc(-c3ccccc3)[nH]c2ccc1O,PTOSABMDJTWDLR,PTOSABMDJTWDLR-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-2-10-18-11-13-15(21)9-8-14-16(13)20-17(19-14)12-6-4-3-5-7-12/h3-9,18,21H,2,10-11H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,2,13,12,14,11,15,18,19,3,5,10,6,17,20,7,9,4,16,8,21/E:(4,5)(6,7)/rA:21CCCNCCCNCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;d17;s18;s6d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-PTOSABMDJTWDLR_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013199;70691640,CCCNCc1c2nc(-c3ccccc3)[nH]c2ccc1O,PTOSABMDJTWDLR,PTOSABMDJTWDLR-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-2-10-18-11-13-15(21)9-8-14-16(13)20-17(19-14)12-6-4-3-5-7-12/h3-9,18,21H,2,10-11H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,2,13,12,14,11,15,18,19,3,5,10,6,17,20,7,9,4,16,8,21/E:(4,5)(6,7)/rA:21CCCNCCCNCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;d17;s18;s6d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-PTPSHTKUQUAFTF_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,58103861;CHEMBL2179332,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12,PTPSHTKUQUAFTF,PTPSHTKUQUAFTF-UHFFFAOYSA-N,"InChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-18(13-25)19(8-11-28(17)20)27-9-6-16(7-10-27)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12H2","""AuxInfo=1/0/N:12,11,13,10,14,7,15,17,6,16,18,21,2,26,9,8,20,3,4,28,22,23,24,25,1,27,5,19/E:(2,3)(4,5)(6,7)(9,10)(22,23,24)/rA:28NCCCNCCCCCCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s22;s22;d20;s26;s3s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:711294;CHEMBL2186482,PMID:23072213,2012.0,PubChemAID:711294;PMID:23072213,2013;2012,0,0;1,0,0,1;0,,=,  6.903;  6.900,6.902,0.001,0.001,2.0,6.902,0.001
-PTRPQDMPYNOBTR_on_O00591_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3375238;CHEMBL3375240;CHEMBL3375239;CHEMBL3375237;CHEMBL3375242;CHEMBL3375241,PMID:25226229,2014.0,PMID:25226229,2014,0;1;0;0;1;1,0,0,1;0;1;1;0;0,0,,=,  6.950;  6.330;  7.060;  7.030;  6.430;  6.250,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_O14764_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3375239;CHEMBL3375240;CHEMBL3375238;CHEMBL3375241;CHEMBL3375237;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,0;1;0;1;0;1,0,0,1;0;1;0;1;0,0,,=,  7.060;  6.330;  6.950;  6.250;  7.030;  6.430,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P14867_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3375239;CHEMBL3375240;CHEMBL3375241;CHEMBL3375238;CHEMBL3375237;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,0;1;1;0;0;1,0,0,1;0;0;1;1;0,0,,=,  7.060;  6.330;  6.250;  6.950;  7.030;  6.430,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P18505_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3375241;CHEMBL3375240;CHEMBL3375238;CHEMBL3375239;CHEMBL3375237;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;0;0;1,0,0,0;0;1;1;1;0,0,,=,  6.250;  6.330;  6.950;  7.060;  7.030;  6.430,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P18507_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3375242;CHEMBL3375240;CHEMBL3375238;CHEMBL3375241;CHEMBL3375239;CHEMBL3375237,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;1;0;0,0,0,0;0;1;0;1;1,0,,=,  6.430;  6.330;  6.950;  6.250;  7.060;  7.030,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P28472_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3375242;CHEMBL3375240;CHEMBL3375241;CHEMBL3375238;CHEMBL3375237;CHEMBL3375239,PMID:25226229,2014.0,PMID:25226229,2014,1;1;1;0;0;0,0,0,0;0;0;1;1;1,0,,=,  6.430;  6.330;  6.250;  6.950;  7.030;  7.060,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P31644_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3375238;CHEMBL3375242;CHEMBL3375239;CHEMBL3375237;CHEMBL3375241;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,0;1;0;0;1;1,0,0,1;0;1;1;0;0,0,,=,  6.950;  6.430;  7.060;  7.030;  6.250;  6.330,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P34903_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3375241;CHEMBL3375237;CHEMBL3375242;CHEMBL3375238;CHEMBL3375240;CHEMBL3375239,PMID:25226229,2014.0,PMID:25226229,2014,1;0;1;0;1;0,0,0,0;1;0;1;0;1,0,,=,  6.250;  7.030;  6.430;  6.950;  6.330;  7.060,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P47869_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3375242;CHEMBL3375239;CHEMBL3375237;CHEMBL3375241;CHEMBL3375238;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,1;0;0;1;0;1,0,0,0;1;1;0;1;0,0,,=,  6.430;  7.060;  7.030;  6.250;  6.950;  6.330,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P47870_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3375239;CHEMBL3375237;CHEMBL3375240;CHEMBL3375242;CHEMBL3375241;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,0;0;1;1;1;0,0,0,1;1;0;0;0;1,0,,=,  7.060;  7.030;  6.330;  6.430;  6.250;  6.950,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P48169_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3375240;CHEMBL3375239;CHEMBL3375237;CHEMBL3375241;CHEMBL3375238;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,1;0;0;1;0;1,0,0,0;1;1;0;1;0,0,,=,  6.330;  7.060;  7.030;  6.250;  6.950;  6.430,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_P78334_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3375242;CHEMBL3375241;CHEMBL3375239;CHEMBL3375240;CHEMBL3375237;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,1;1;0;1;0;0,0,0,0;0;1;0;1;1,0,,=,  6.430;  6.250;  7.060;  6.330;  7.030;  6.950,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3375242;CHEMBL3375241;CHEMBL3375240;CHEMBL3375237;CHEMBL3375239;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,1;1;1;0;0;0,0,0,0;0;0;1;1;1,0,,=,  6.430;  6.250;  6.330;  7.030;  7.060;  6.950,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3375241;CHEMBL3375237;CHEMBL3375240;CHEMBL3375239;CHEMBL3375242;CHEMBL3375238,PMID:25226229,2014.0,PMID:25226229,2014,1;0;1;0;1;0,0,0,0;1;0;1;0;1,0,,=,  6.250;  7.030;  6.330;  7.060;  6.430;  6.950,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_Q16445_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3375237;CHEMBL3375238;CHEMBL3375239;CHEMBL3375242;CHEMBL3375241;CHEMBL3375240,PMID:25226229,2014.0,PMID:25226229,2014,0;0;0;1;1;1,0,0,1;1;1;0;0;0,0,,=,  7.030;  6.950;  7.060;  6.430;  6.250;  6.330,6.675,0.344,0.154,6.0,6.69,0.35
-PTRPQDMPYNOBTR_on_Q99928_WT,Low,ChEMBL30,CHEMBL3329353,CCCCn1c(S)nnc1Cc1cc(Cl)ccc1,PTRPQDMPYNOBTR,PTRPQDMPYNOBTR-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3S/c1-2-3-7-17-12(15-16-13(17)18)9-10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,18)","""AuxInfo=1/1/N:1,2,3,17,18,16,4,13,11,12,14,10,6,15,9,8,5,7/rA:18CCCCNCSNNCCCCCClCCC/rB:s1;s2;s3;s4;s5;s6;d6;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3375237;CHEMBL3375238;CHEMBL3375239;CHEMBL3375240;CHEMBL3375241;CHEMBL3375242,PMID:25226229,2014.0,PMID:25226229,2014,0;0;0;1;1;1,0,0,1;1;1;0;0;0,0,,=,  7.030;  6.950;  7.060;  6.330;  6.250;  6.430,6.675,0.344,0.154,6.0,6.69,0.35
-PTRXPVDOTUGGHW_on_O00591_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_O14764_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P14867_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P18505_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P18507_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P28472_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P31644_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P34903_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P47869_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P47870_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P48169_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_P78334_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_Q16445_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTRXPVDOTUGGHW_on_Q99928_WT,Low,ChEMBL30,CHEMBL91097,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1,PTRXPVDOTUGGHW,PTRXPVDOTUGGHW-UHFFFAOYSA-N,"InChI=1S/C19H24O2S2/c1-19(2,3)16-12-22-18(23-13-16)15-10-8-14(9-11-15)6-4-5-7-17(20)21/h8-11,16,18H,5,7,12-13H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,14,15,13,16,11,20,10,21,6,23,12,9,5,17,8,2,18,19,7,22/E:(1,2,3)(8,9)(10,11)(12,13)(20,21)(22,23)/rA:23CCCCCCSCCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;s12;s9d20;s8;s5s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-PTTOPMPFOOSPSM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289057;CHEMBL1289058,OC1CN(C2CCC(c3ccccc3)CC2)CCc2c1ccc(OCc1ccccc1)c2,PTTOPMPFOOSPSM,PTTOPMPFOOSPSM-UHFFFAOYSA-N,"InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2","""AuxInfo=1/0/N:29,12,28,30,11,13,27,31,10,14,7,15,6,16,22,21,18,17,32,3,25,26,9,8,19,5,23,20,2,4,1,24/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32OCCNCCCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;s17;s18;s2d19;s20;d21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.860;  6.410,6.635,0.225,0.225,2.0,6.635,0.225
-PTTOPMPFOOSPSM_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289058;CHEMBL1289057,OC1CN(C2CCC(c3ccccc3)CC2)CCc2c1ccc(OCc1ccccc1)c2,PTTOPMPFOOSPSM,PTTOPMPFOOSPSM-UHFFFAOYSA-N,"InChI=1S/C29H33NO2/c31-29-20-30(26-13-11-24(12-14-26)23-9-5-2-6-10-23)18-17-25-19-27(15-16-28(25)29)32-21-22-7-3-1-4-8-22/h1-10,15-16,19,24,26,29,31H,11-14,17-18,20-21H2","""AuxInfo=1/0/N:29,12,28,30,11,13,27,31,10,14,7,15,6,16,22,21,18,17,32,3,25,26,9,8,19,5,23,20,2,4,1,24/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32OCCNCCCCCCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;s17;s18;s2d19;s20;d21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.410;  6.860,6.635,0.225,0.225,2.0,6.635,0.225
-PTTQXDBPTFOCMT_on_P14867_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403715;CHEMBL4351507,PMID:30964988,2019.0,PMID:31738537;PMID:30964988,2020;2019,0,0,0,1,0,,=,  9.740;  9.740,9.74,0.0,0.0,2.0,9.74,0.0
-PTTQXDBPTFOCMT_on_P18507_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4351511;CHEMBL4403715;CHEMBL4403721;CHEMBL4403722;CHEMBL4351507;CHEMBL4351502,PMID:30964988,2019.0,PMID:30964988;PMID:31738537;PMID:31738537;PMID:31738537;PMID:30964988;PMID:30964988,2019;2020;2020;2020;2019;2019,0,0,0,1,0,,=,  7.750;  9.740;  8.970;  7.750;  9.740;  8.960,8.818,0.8190000000000001,0.366,6.0,8.965,0.775
-PTTQXDBPTFOCMT_on_P28472_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4351502;CHEMBL4403722;CHEMBL4351507;CHEMBL4403715;CHEMBL4403721,PMID:30964988,2019.0,PMID:30964988;PMID:31738537;PMID:30964988;PMID:31738537;PMID:31738537,2019;2020;2019;2020;2020,0,0,0,1,0,,=,  8.960;  7.750;  9.740;  9.740;  8.970,9.032,0.7290000000000001,0.364,5.0,8.97,0.77
-PTTQXDBPTFOCMT_on_P31644_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403722;CHEMBL4351511,PMID:30964988,2019.0,PMID:31738537;PMID:30964988,2020;2019,0,0,0,1,0,,=,  7.750;  7.750,7.75,0.0,0.0,2.0,7.75,0.0
-PTTQXDBPTFOCMT_on_P34903_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4351502;CHEMBL4403721,PMID:30964988,2019.0,PMID:30964988;PMID:31738537,2019;2020,0,0,0,1,0,,=,  8.960;  8.970,8.965,0.005,0.005,2.0,8.965,0.005
-PTTQXDBPTFOCMT_on_P47869_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,>,  8.607,8.607000000000001,0.0,0.0,1.0,8.607000000000001,0.0
-PTTQXDBPTFOCMT_on_P47870_WT,Low,ChEMBL30,CHEMBL3647536,CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1,PTTQXDBPTFOCMT,PTTQXDBPTFOCMT-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,23,27,2,22,31,17,16,30,13,24,10,4,12,18,15,14,11,28,25,6,7,29,5,9,8,3,20,21,26,19/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCCCSOOCCCCOCCFCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;d19;s19;s22;s18;s15d24;s25;s26;d14;s28;s28;s12d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4351511,PMID:30964988,2019.0,PMID:30964988,2019,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-PTUBIEBQPUYMOO_on_Q14416_WT,High,ChEMBL30,CHEMBL367823,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCOc1ccc(-c3n[nH]nn3)cc1)c2,PTUBIEBQPUYMOO,PTUBIEBQPUYMOO-UHFFFAOYSA-N,"InChI=1S/C24H24Cl2N4O3/c1-24(16-4-2-3-5-16)13-15-12-18(20(25)21(26)19(15)22(24)31)33-11-10-32-17-8-6-14(7-9-17)23-27-29-30-28-23/h6-9,12,16H,2-5,10-11,13H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,5,6,4,7,24,31,23,32,20,19,33,8,25,9,3,22,17,10,15,13,11,26,2,16,14,27,30,28,29,12,21,18/E:(2,3)(4,5)(6,7)(8,9)(27,28)(29,30)/rA:33CCCCCCCCCCCOCClCClCOCCOCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;d22;s23;d24;s25;d26;s27;s28;s26d29;s25;s22d31;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-PTWRSNCLLAFDMD_on_P14867_WT,Low,ChEMBL30,CHEMBL221351,Oc1noc(C2CCNCC2)c1-c1cc(Cl)cc(Cl)c1,PTWRSNCLLAFDMD,PTWRSNCLLAFDMD-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)12-13(20-18-14(12)19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)","""AuxInfo=1/1/N:7,11,8,10,14,20,17,6,13,15,18,12,5,2,16,19,9,3,1,4/E:(1,2)(3,4)(5,6)(10,11)(15,16)/rA:20OCNOCCCCNCCCCCCClCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.170;  7.170,7.17,0.0,0.0,2.0,7.17,0.0
-PTWRSNCLLAFDMD_on_P18507_WT,Low,ChEMBL30,CHEMBL221351,Oc1noc(C2CCNCC2)c1-c1cc(Cl)cc(Cl)c1,PTWRSNCLLAFDMD,PTWRSNCLLAFDMD-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)12-13(20-18-14(12)19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)","""AuxInfo=1/1/N:7,11,8,10,14,20,17,6,13,15,18,12,5,2,16,19,9,3,1,4/E:(1,2)(3,4)(5,6)(10,11)(15,16)/rA:20OCNOCCCCNCCCCCCClCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.170;  7.170,7.17,0.0,0.0,2.0,7.17,0.0
-PTWRSNCLLAFDMD_on_P28472_WT,Low,ChEMBL30,CHEMBL221351,Oc1noc(C2CCNCC2)c1-c1cc(Cl)cc(Cl)c1,PTWRSNCLLAFDMD,PTWRSNCLLAFDMD-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)12-13(20-18-14(12)19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)","""AuxInfo=1/1/N:7,11,8,10,14,20,17,6,13,15,18,12,5,2,16,19,9,3,1,4/E:(1,2)(3,4)(5,6)(10,11)(15,16)/rA:20OCNOCCCCNCCCCCCClCCClC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.170;  7.170,7.17,0.0,0.0,2.0,7.17,0.0
-PTXNXIDKJDKOKN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3914950,CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1,PTXNXIDKJDKOKN,PTXNXIDKJDKOKN-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-18(2)10-16(22)21(13-18)17-19-11-15(12-20-17)9-8-14-6-4-3-5-7-14/h3-7,11-12H,10,13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,4,10,20,22,14,11,5,8,2,9,21,7,6/E:(1,2)(4,5)(6,7)(11,12)(19,20)/rA:22CCCCCONCNCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-PTZXBWKWACHSIR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3890489,CC1(C)CCC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1,PTZXBWKWACHSIR,PTZXBWKWACHSIR-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)11-10-17(23)22(14-19)18-20-12-16(13-21-18)9-8-15-6-4-3-5-7-15/h3-7,12-13H,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,14,13,5,4,11,21,23,15,12,6,9,2,10,22,8,7/E:(1,2)(4,5)(6,7)(12,13)(20,21)/rA:23CCCCCCONCNCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s2s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-PUHYFBVVUMFVNP_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,57459494;CHEMBL2206442;CHEMBL2206442,COc1cccc(F)c1C1CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1,PUHYFBVVUMFVNP,PUHYFBVVUMFVNP-UHFFFAOYSA-N,"InChI=1S/C22H24ClFN4O/c1-29-18-4-2-3-16(24)20(18)15-7-10-27(11-8-15)17-9-12-28-19(13-14-5-6-14)25-26-22(28)21(17)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3","""AuxInfo=1/0/N:1,5,6,4,23,24,11,29,27,12,28,26,21,22,10,7,14,3,20,9,15,17,16,8,19,18,13,25,2/E:(5,6)(7,8)(10,11)/rA:29COCCCCCFCCCCNCCClCNNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s3d7;s9;s10;s11;s12;s13;d14;s15;s15;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s14d26;s13;s10s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:713857;CHEMBL2215921;CHEMBL2215923,PMID:22992024,2012.0,PubChemAID:713857;PMID:22992024;PMID:22992024,2013;2012;2012,0;1;0,0;0;1,0,0,1;0;0,,=,  8.222;  7.950;  8.220,8.131,0.128,0.09,3.0,8.22,0.002
-PUIAIYDBFPDZPF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109210;CHEMBL3894759,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1,PUIAIYDBFPDZPF,PUIAIYDBFPDZPF-UHFFFAOYSA-N,"InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)","""AuxInfo=1/1/N:1,15,14,19,20,28,6,29,17,3,27,16,4,13,5,12,7,22,8,23,24,25,26,9,30,11,2,18,10,21/E:(21,22,23)/rA:30CNCCCCCCNONCCCCCCNCCOCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s23;s23;s18s22;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.920;  7.600,7.76,0.16,0.16,2.0,7.76,0.16
-PUJKPXPABLQPRA_on_P14867_WT,Low,ChEMBL30,CHEMBL193370,Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1,PUJKPXPABLQPRA,PUJKPXPABLQPRA-UHFFFAOYSA-N,"InChI=1S/C25H24N2O2/c28-25-22(24(29-27-25)19-12-14-26-15-13-19)16-20-11-10-17-6-4-5-9-21(17)23(20)18-7-2-1-3-8-18/h1-11,19,26H,12-16H2,(H,27,28)","""AuxInfo=1/1/N:27,26,28,19,20,18,25,29,21,16,15,7,11,8,10,13,17,24,6,14,22,12,23,5,2,9,3,1,4/E:(2,3)(7,8)(12,13)(14,15)/rA:29OCNOCCCCNCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-PUJKPXPABLQPRA_on_P18507_WT,Low,ChEMBL30,CHEMBL193370,Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1,PUJKPXPABLQPRA,PUJKPXPABLQPRA-UHFFFAOYSA-N,"InChI=1S/C25H24N2O2/c28-25-22(24(29-27-25)19-12-14-26-15-13-19)16-20-11-10-17-6-4-5-9-21(17)23(20)18-7-2-1-3-8-18/h1-11,19,26H,12-16H2,(H,27,28)","""AuxInfo=1/1/N:27,26,28,19,20,18,25,29,21,16,15,7,11,8,10,13,17,24,6,14,22,12,23,5,2,9,3,1,4/E:(2,3)(7,8)(12,13)(14,15)/rA:29OCNOCCCCNCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-PUJKPXPABLQPRA_on_P28472_WT,Low,ChEMBL30,CHEMBL193370,Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1,PUJKPXPABLQPRA,PUJKPXPABLQPRA-UHFFFAOYSA-N,"InChI=1S/C25H24N2O2/c28-25-22(24(29-27-25)19-12-14-26-15-13-19)16-20-11-10-17-6-4-5-9-21(17)23(20)18-7-2-1-3-8-18/h1-11,19,26H,12-16H2,(H,27,28)","""AuxInfo=1/1/N:27,26,28,19,20,18,25,29,21,16,15,7,11,8,10,13,17,24,6,14,22,12,23,5,2,9,3,1,4/E:(2,3)(7,8)(12,13)(14,15)/rA:29OCNOCCCCNCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;d20;s17s21;s14d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-PUNLHXOQDSEUQP_on_P14867_WT,Low,ChEMBL30,CHEMBL204400,N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,PUNLHXOQDSEUQP,PUNLHXOQDSEUQP-UHFFFAOYSA-N,"InChI=1S/C19H9F4N5/c20-13-1-2-14(12(7-13)9-24)15-8-11(3-5-25-15)16-10-26-18-27-17(19(21,22)23)4-6-28(16)18/h1-8,10H","""AuxInfo=1/0/N:7,8,13,25,12,26,4,28,2,16,14,3,5,9,10,15,20,18,21,6,22,23,24,1,11,17,19,27/E:(21,22,23)/rA:28NCCCCFCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-PUNLHXOQDSEUQP_on_P18507_WT,Low,ChEMBL30,CHEMBL204400,N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,PUNLHXOQDSEUQP,PUNLHXOQDSEUQP-UHFFFAOYSA-N,"InChI=1S/C19H9F4N5/c20-13-1-2-14(12(7-13)9-24)15-8-11(3-5-25-15)16-10-26-18-27-17(19(21,22)23)4-6-28(16)18/h1-8,10H","""AuxInfo=1/0/N:7,8,13,25,12,26,4,28,2,16,14,3,5,9,10,15,20,18,21,6,22,23,24,1,11,17,19,27/E:(21,22,23)/rA:28NCCCCFCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.000;  8.660,8.83,0.17,0.17,2.0,8.83,0.17
-PUNLHXOQDSEUQP_on_P28472_WT,Low,ChEMBL30,CHEMBL204400,N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,PUNLHXOQDSEUQP,PUNLHXOQDSEUQP-UHFFFAOYSA-N,"InChI=1S/C19H9F4N5/c20-13-1-2-14(12(7-13)9-24)15-8-11(3-5-25-15)16-10-26-18-27-17(19(21,22)23)4-6-28(16)18/h1-8,10H","""AuxInfo=1/0/N:7,8,13,25,12,26,4,28,2,16,14,3,5,9,10,15,20,18,21,6,22,23,24,1,11,17,19,27/E:(21,22,23)/rA:28NCCCCFCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.660;  9.000,8.83,0.17,0.17,2.0,8.83,0.17
-PUNLHXOQDSEUQP_on_P34903_WT,Low,ChEMBL30,CHEMBL204400,N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,PUNLHXOQDSEUQP,PUNLHXOQDSEUQP-UHFFFAOYSA-N,"InChI=1S/C19H9F4N5/c20-13-1-2-14(12(7-13)9-24)15-8-11(3-5-25-15)16-10-26-18-27-17(19(21,22)23)4-6-28(16)18/h1-8,10H","""AuxInfo=1/0/N:7,8,13,25,12,26,4,28,2,16,14,3,5,9,10,15,20,18,21,6,22,23,24,1,11,17,19,27/E:(21,22,23)/rA:28NCCCCFCCCCNCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s20;s21;s21;s21;s20;d25;s15s18s26;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-PURMTHHDJDASBS_on_P41594_WT,High,ChEMBL30,CHEMBL2164545,N#Cc1cc(F)cc(-c2nc(-c3ncccc3)co2)c1,PURMTHHDJDASBS,PURMTHHDJDASBS-UHFFFAOYSA-N,"InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H","""AuxInfo=1/0/N:16,15,17,14,20,4,7,2,18,3,8,5,12,11,9,6,1,13,10,19/rA:20NCCCCFCCCNCCNCCCCCOC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-PUTREMCPCDHEAC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70695043;CHEMBL2069383,O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1cc(Cl)c(Cl)cc1,PUTREMCPCDHEAC,PUTREMCPCDHEAC-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2FN3O2/c19-14-5-4-13(8-15(14)20)24-9-11(7-16(24)25)18-22-17(23-26-18)10-2-1-3-12(21)6-10/h1-6,8,11H,7,9H2","""AuxInfo=1/0/N:10,9,11,26,25,14,3,20,17,8,4,12,19,23,21,2,7,5,24,22,13,6,15,18,1,16/rA:26OCCCCNCCCCCCFCNOCNCCCClCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;s21;d21;s23;s23;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:676851;CHEMBL2072730,PMID:22832311,2012.0,PubChemAID:676851;PMID:22832311,2013;2012,0,0;1,0,0,1;0,,=,  5.495;  5.500,5.497999999999999,0.002,0.002,2.0,5.497999999999999,0.002
-PUUXLLSHSWLAML_on_P14867_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-PUUXLLSHSWLAML_on_P18507_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273615;CHEMBL1273616;CHEMBL1273620;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.070;  6.610;  6.090;  5.000;  5.000,5.754,0.645,0.32299999999999995,5.0,6.07,0.54
-PUUXLLSHSWLAML_on_P28472_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273615;CHEMBL1273619;CHEMBL1273616;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.000;  6.610;  5.000;  6.090;  6.070,5.754,0.645,0.32299999999999995,5.0,6.07,0.54
-PUUXLLSHSWLAML_on_P31644_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PUUXLLSHSWLAML_on_P34903_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-PUUXLLSHSWLAML_on_P47869_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-PUUXLLSHSWLAML_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269094,CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1,PUUXLLSHSWLAML,PUUXLLSHSWLAML-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-3-4-7-10-20-17-11-14-13-8-5-6-9-15(13)19-16(14)12-18-17/h3-12,19H,2H2,1H3","""AuxInfo=1/0/N:1,2,3,4,16,17,5,15,18,6,20,10,14,19,13,11,8,9,12,7/rA:20CCCCCCOCNCCNCCCCCCCC/rB:s1;s2;w?3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11s14;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PUVOFAJSZNCMQY_on_Q13255_WT,High,ChEMBL30,CHEMBL1951682,CCCNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O,PUVOFAJSZNCMQY,PUVOFAJSZNCMQY-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2S/c1-3-10-21-16-8-11-22-19-17(16)15-9-12-23(20(24)18(15)26-19)13-4-6-14(25-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,10,14,3,9,15,17,20,13,5,6,12,7,25,4,8,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCCSCCCCNCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-PUVZBKNBZQYKBF_on_P41594_WT,Low,ChEMBL30,CHEMBL467234,NC(CC12CC(CC(=O)O)(C1)C2)C(=O)O,PUVZBKNBZQYKBF,PUVZBKNBZQYKBF-UHFFFAOYSA-N,"InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,7,5,11,12,2,8,13,4,6,1,9,10,14,15/E:(3,4,5)(12,13)(14,15)/rA:15NCCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s4s6;s4s6;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1018992,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,=,  3.533,3.533,0.0,0.0,1.0,3.533,0.0
-PUVZBKNBZQYKBF_on_Q13255_WT,High,ChEMBL30,CHEMBL467234,NC(CC12CC(CC(=O)O)(C1)C2)C(=O)O,PUVZBKNBZQYKBF,PUVZBKNBZQYKBF-UHFFFAOYSA-N,"InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,7,5,11,12,2,8,13,4,6,1,9,10,14,15/E:(3,4,5)(12,13)(14,15)/rA:15NCCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s4s6;s4s6;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1018991,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-PUZIHDVBQKJHLY_on_P14867_WT,Low,ChEMBL30,CHEMBL113659,Oc1c2C=NC3CCCCCC3c2nn1-c1ccc(Cl)cc1,PUZIHDVBQKJHLY,PUZIHDVBQKJHLY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,22H,1-5H2","""AuxInfo=1/0/N:9,10,8,11,7,18,21,17,22,4,19,16,12,3,6,13,2,20,5,14,15,1/E:(6,7)(8,9)/rA:22OCCCNCCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s6s11;s3s12;d13;s2s14;s15;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.970,8.97,0.0,0.0,1.0,8.97,0.0
-PUZIHDVBQKJHLY_on_P18507_WT,Low,ChEMBL30,CHEMBL113659,Oc1c2C=NC3CCCCCC3c2nn1-c1ccc(Cl)cc1,PUZIHDVBQKJHLY,PUZIHDVBQKJHLY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,22H,1-5H2","""AuxInfo=1/0/N:9,10,8,11,7,18,21,17,22,4,19,16,12,3,6,13,2,20,5,14,15,1/E:(6,7)(8,9)/rA:22OCCCNCCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s6s11;s3s12;d13;s2s14;s15;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.370;  8.970,8.67,0.3,0.3,2.0,8.67,0.3
-PUZIHDVBQKJHLY_on_P28472_WT,Low,ChEMBL30,CHEMBL113659,Oc1c2C=NC3CCCCCC3c2nn1-c1ccc(Cl)cc1,PUZIHDVBQKJHLY,PUZIHDVBQKJHLY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,22H,1-5H2","""AuxInfo=1/0/N:9,10,8,11,7,18,21,17,22,4,19,16,12,3,6,13,2,20,5,14,15,1/E:(6,7)(8,9)/rA:22OCCCNCCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s6s11;s3s12;d13;s2s14;s15;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.370;  8.970,8.67,0.3,0.3,2.0,8.67,0.3
-PUZIHDVBQKJHLY_on_P34903_WT,Low,ChEMBL30,CHEMBL113659,Oc1c2C=NC3CCCCCC3c2nn1-c1ccc(Cl)cc1,PUZIHDVBQKJHLY,PUZIHDVBQKJHLY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,22H,1-5H2","""AuxInfo=1/0/N:9,10,8,11,7,18,21,17,22,4,19,16,12,3,6,13,2,20,5,14,15,1/E:(6,7)(8,9)/rA:22OCCCNCCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s6s11;s3s12;d13;s2s14;s15;d16;s17;d18;s19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-PVBWXOPKUUTANH_on_P14867_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449;CHEMBL1111365,PMID:19740657,2009.0,PMID:19740657;PMID:19762240,2009,0,0,0,1,0,,=,  6.870;  6.870,6.87,0.0,0.0,2.0,6.87,0.0
-PVBWXOPKUUTANH_on_P18507_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111449;CHEMBL1111450;CHEMBL1111448;CHEMBL1111355;CHEMBL1111367;CHEMBL1111365;CHEMBL1111451;CHEMBL1111366,PMID:19762240,2009.0,PMID:19740657;PMID:19740657;PMID:19740657;PMID:19762240;PMID:19762240;PMID:19762240;PMID:19740657;PMID:19762240,2009,0,0,0,1,0,,=,  6.870;  6.730;  8.220;  8.210;  6.880;  6.870;  6.880;  6.730,7.1739999999999995,0.604,0.228,8.0,6.875,0.075
-PVBWXOPKUUTANH_on_P28472_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111366;CHEMBL1111448;CHEMBL1111365;CHEMBL1111451;CHEMBL1111355;CHEMBL1111367;CHEMBL1111449;CHEMBL1111450,PMID:19762240,2009.0,PMID:19762240;PMID:19740657;PMID:19762240;PMID:19740657;PMID:19762240;PMID:19762240;PMID:19740657;PMID:19740657,2009,0,0,0,1,0,,=,  6.730;  8.220;  6.870;  6.880;  8.210;  6.880;  6.870;  6.730,7.1739999999999995,0.604,0.228,8.0,6.875,0.075
-PVBWXOPKUUTANH_on_P31644_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355;CHEMBL1111448,PMID:19740657,2009.0,PMID:19762240;PMID:19740657,2009,0,0,0,1,0,,=,  8.210;  8.220,8.215,0.005,0.005,2.0,8.215,0.005
-PVBWXOPKUUTANH_on_P34903_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111367;CHEMBL1111451,PMID:19740657,2009.0,PMID:19762240;PMID:19740657,2009,0,0,0,1,0,,=,  6.880;  6.880,6.88,0.0,0.0,2.0,6.88,0.0
-PVBWXOPKUUTANH_on_P47869_WT,Low,ChEMBL30,CHEMBL1078580,Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1,PVBWXOPKUUTANH,PVBWXOPKUUTANH-UHFFFAOYSA-N,"InChI=1S/C13H10BrN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111366;CHEMBL1111450,PMID:19740657,2009.0,PMID:19762240;PMID:19740657,2009,0,0,0,1,0,,=,  6.730;  6.730,6.73,0.0,0.0,2.0,6.73,0.0
-PVCREHXNQFOJCR_on_Q14833_WT,High,ChEMBL30,CHEMBL1300476,CSc1cc(NC(=O)c2ncccc2)ccc1,PVCREHXNQFOJCR,PVCREHXNQFOJCR-UHFFFAOYSA-N,"InChI=1S/C13H12N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)","""AuxInfo=1/1/N:1,13,12,16,15,17,14,11,4,5,3,9,7,10,6,8,2/rA:17CSCCCNCOCNCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.310;  8.310,8.31,0.0,0.0,2.0,8.31,0.0
-PVDYHVJORZHHLG_on_Q13224_WT,High,ChEMBL30,CHEMBL247718,N=C1c2c(cc(OC(F)(F)F)cc2)CN1Cc1cccc(Cl)c1,PVDYHVJORZHHLG,PVDYHVJORZHHLG-UHFFFAOYSA-N,"InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-10(6-12)8-22-9-11-7-13(23-16(18,19)20)4-5-14(11)15(22)21/h1-7,21H,8-9H2","""AuxInfo=1/0/N:19,18,20,12,13,23,5,16,14,17,4,21,6,3,2,8,22,9,10,11,1,15,7/E:(18,19,20)/rA:23NCCCCCOCFFFCCCNCCCCCCClC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s8;s8;s6;s3d12;s4;s2s14;s15;s16;d17;s18;d19;s20;s21;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887787;CHEMBL887786,PMID:17498948,2007.0,PMID:17498948,2007,1;0,0,0,0;1,0,,=,  7.310;  8.100,7.705,0.395,0.395,2.0,7.705,0.395
-PVFREVVQIPXBLS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11336477;CHEMBL198272,CCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1,PVFREVVQIPXBLS,PVFREVVQIPXBLS-UHFFFAOYSA-N,"InChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24)","""AuxInfo=1/1/N:1,24,2,10,9,21,22,11,8,20,5,13,15,23,12,6,7,4,19,17,14,16,25,18,3/rA:25CCOCCCCCCCCCCNCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;t13;d6;s15;s4d16;s17;s18;d19;s20;d21;s22;s23;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  7.432;  7.430,7.431,0.001,0.001,2.0,7.431,0.001
-PVJFNFROIFYVIR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3951161,CCN(C(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)C,PVJFNFROIFYVIR,PVJFNFROIFYVIR-UHFFFAOYSA-N,"InChI=1S/C20H21FN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,14,13,15,11,10,8,7,18,19,12,9,16,6,4,21,17,20,3,5/E:(2,3,4)/rA:24CCNCOCCCCCCCCCCCFCCNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544,PATENT:US9359301B2,2016.0,PATENT:US9359301B2,2016,0,0;1,0,1;0,0,,=,  7.380;  7.380,7.38,0.0,0.0,2.0,7.38,0.0
-PVNRQBJKJOEJTG_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684123,CCCCN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O,PVNRQBJKJOEJTG,PVNRQBJKJOEJTG-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-2-3-12-23-13-11-19-18(20(23)24)10-9-17(22-19)8-7-15-5-4-6-16(21)14-15/h4-6,9-10,14H,2-3,11-13H2,1H3","""AuxInfo=1/0/N:1,2,3,20,21,19,14,13,11,10,7,4,6,16,15,17,12,9,8,23,18,22,5,24/rA:24CCCCNCCCCCCCCCCCCFCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;t13;s14;d15;s16;s17;d17;s19;s15d20;s8d12;s5s9;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-PVOXHDXEZQLYRF_on_P14867_WT,Low,ChEMBL30,CHEMBL222978,Nc1cccc(-c2c(C3CCNCC3)onc2O)c1,PVOXHDXEZQLYRF,PVOXHDXEZQLYRF-UHFFFAOYSA-N,"InChI=1S/C14H17N3O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7,15H2,(H,17,18)","""AuxInfo=1/1/N:4,5,3,10,14,11,13,19,9,6,2,7,8,17,1,12,16,18,15/E:(4,5)(6,7)/rA:19NCCCCCCCCCCNCCONCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.230;  7.230,7.23,0.0,0.0,2.0,7.23,0.0
-PVOXHDXEZQLYRF_on_P18507_WT,Low,ChEMBL30,CHEMBL222978,Nc1cccc(-c2c(C3CCNCC3)onc2O)c1,PVOXHDXEZQLYRF,PVOXHDXEZQLYRF-UHFFFAOYSA-N,"InChI=1S/C14H17N3O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7,15H2,(H,17,18)","""AuxInfo=1/1/N:4,5,3,10,14,11,13,19,9,6,2,7,8,17,1,12,16,18,15/E:(4,5)(6,7)/rA:19NCCCCCCCCCCNCCONCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.230;  7.230,7.23,0.0,0.0,2.0,7.23,0.0
-PVOXHDXEZQLYRF_on_P28472_WT,Low,ChEMBL30,CHEMBL222978,Nc1cccc(-c2c(C3CCNCC3)onc2O)c1,PVOXHDXEZQLYRF,PVOXHDXEZQLYRF-UHFFFAOYSA-N,"InChI=1S/C14H17N3O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7,15H2,(H,17,18)","""AuxInfo=1/1/N:4,5,3,10,14,11,13,19,9,6,2,7,8,17,1,12,16,18,15/E:(4,5)(6,7)/rA:19NCCCCCCCCCCNCCONCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  7.230;  7.230,7.23,0.0,0.0,2.0,7.23,0.0
-PVPZXINTFBRHEU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL503697,CC1CN(Cc2ccc(-c3cccc(Cl)c3)cc2)C(=O)O1,PVPZXINTFBRHEU,PVPZXINTFBRHEU-UHFFFAOYSA-N,"InChI=1S/C17H16ClNO2/c1-12-10-19(17(20)21-12)11-13-5-7-14(8-6-13)15-3-2-4-16(18)9-15/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,7,18,8,17,16,3,5,2,6,9,10,14,19,15,4,20,21/E:(5,6)(7,8)/rA:21CCCNCCCCCCCCCCClCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s10d14;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-PVRBXFHOGJIIQT_on_O15399_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_O60391_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVRBXFHOGJIIQT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1191951,CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1,PVRBXFHOGJIIQT,PVRBXFHOGJIIQT-UHFFFAOYSA-N,"InChI=1S/C21H41N3/c1-2-3-4-5-6-13-18-22-21(23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h19-20H,2-18H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,2,3,4,5,6,15,22,14,16,21,23,7,13,17,20,24,8,12,19,10,9,11,18/E:(7,8)(9,10,11,12)(14,15,16,17)(19,20)(23,24)/rA:24CCCCCCCCNCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;w?9;s10;s11;s12;s13;s14;s15;s12s16;s10;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVSOSEFQZZHTGM_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,2442621;CHEMBL562232,COc1c(Cl)cc(NC(=O)c2ccccn2)cc1,PVSOSEFQZZHTGM,PVSOSEFQZZHTGM-UHFFFAOYSA-N,"InChI=1S/C13H11ClN2O2/c1-18-12-6-5-9(8-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,13,14,12,17,18,15,6,7,4,11,3,9,5,16,8,10,2/rA:18COCCClCCNCOCCCCCNCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s7;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2180;CHEMBL1034756,PMID:19469556,2009.0,PubChemAID:2180;PMID:19469556,2009,0,0;1,0,0,1;0,,=, 11.796;  5.960,8.878,2.918,2.918,2.0,8.878,2.918
-PVXQBLCMLZKSAX_on_O00222_WT,Low,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3749862,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVXQBLCMLZKSAX_on_P41594_WT,High,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.800;  6.800,6.8,0.0,0.0,2.0,6.8,0.0
-PVXQBLCMLZKSAX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3749859,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVXQBLCMLZKSAX_on_Q14416_WT,Low,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3749860,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVXQBLCMLZKSAX_on_Q14831_WT,Low,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3749861,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PVXQBLCMLZKSAX_on_Q14832_WT,High,ChEMBL30,CHEMBL3747116,O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1,PVXQBLCMLZKSAX,PVXQBLCMLZKSAX-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,7,8,22,19,3,5,2,23,14,18,15,1,6/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCOCCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-PWASGNSKQZGAOY_on_Q05586_WT,High,ExCAPE-DB;ChEMBL30,44443061;CHEMBL247035,COc1cc(CN(c2c(Cl)c(Cl)cc3nc(O)c(O)nc23)S(C)(=O)=O)ccc1,PWASGNSKQZGAOY,PWASGNSKQZGAOY-UHFFFAOYSA-N,"InChI=1S/C17H15Cl2N3O5S/c1-27-10-5-3-4-9(6-10)8-22(28(2,25)26)15-13(19)11(18)7-12-14(15)21-17(24)16(23)20-12/h3-7H,8H2,1-2H3,(H,20,23)(H,21,24)","""AuxInfo=1/1/N:1,23,27,26,28,4,13,6,5,3,11,14,9,21,8,16,18,12,10,15,20,7,17,19,24,25,2,22/E:(25,26)/CRV:28.6/rA:28COCCCCNCCClCClCCNCOCONCSCOOCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s9;s11;d11;s13;d14;s15;s16;d16;s18;s18;s8s14d20;s7;s22;d22;d22;d5;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,PubChemAID:308473;CHEMBL887322,PMID:17562362,2007.0,PubChemAID:308473;PMID:17562362,2010;2007,0;1,0,0,0,1;0,,=,  7.921;  7.920,7.921,0.001,0.001,2.0,7.921,0.001
-PWAWBYGMUYUAIE_on_O15399_WT,Low,ChEMBL30,CHEMBL196187;CHEMBL193980;CHEMBL193993;CHEMBL196402;CHEMBL193980;CHEMBL196187;CHEMBL196402;CHEMBL193980;CHEMBL196402;CHEMBL193993;CHEMBL196187;CHEMBL193993,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828290;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828291;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,1;1;1;1;0;0;1;1;0;0;1;1,0,0,0;0;0;0;1;1;0;0;1;1;0;0,0,,=,  5.130;  4.470;  4.370;  3.538;  5.580;  6.040;  4.430;  4.020;  6.580;  5.170;  5.960;  4.400,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_O60391_WT,Low,ChEMBL30,CHEMBL193980;CHEMBL193980;CHEMBL196402;CHEMBL196187;CHEMBL193980;CHEMBL193993;CHEMBL196402;CHEMBL196402;CHEMBL196187;CHEMBL193993;CHEMBL196187;CHEMBL193993,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828290;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,1;0;0;1;1;1;1;1;1;0;0;1,0,0,0;1;1;0;0;0;0;0;0;1;1;0,0,,=,  4.020;  5.580;  6.580;  5.130;  4.470;  4.370;  3.538;  4.430;  5.960;  5.170;  6.040;  4.400,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL196402;CHEMBL193980;CHEMBL193980;CHEMBL196187;CHEMBL196187;CHEMBL193980;CHEMBL193993;CHEMBL196187;CHEMBL193993;CHEMBL196402;CHEMBL193993;CHEMBL196402,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828290,PMID:15837299,2005.0,PMID:15837299,2005,1;1;0;1;0;1;0;1;1;0;1;1,0,0,0;0;1;0;1;0;1;0;0;1;0;0,0,,=,  4.430;  4.020;  5.580;  5.130;  6.040;  4.470;  5.170;  5.960;  4.400;  6.580;  4.370;  3.538,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_Q05586_WT,Low,ChEMBL30,CHEMBL196402;CHEMBL193993;CHEMBL196402;CHEMBL196187;CHEMBL196187;CHEMBL196402;CHEMBL193980;CHEMBL193993;CHEMBL193980;CHEMBL193980;CHEMBL196187;CHEMBL193993,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828291;CHEMBL828706;CHEMBL828290;CHEMBL828706;CHEMBL828291;CHEMBL828291;CHEMBL828180;CHEMBL828180;CHEMBL828180,PMID:15837299,2005.0,PMID:15837299,2005,0;1;1;1;1;1;1;1;1;0;0;0,0,0,1;0;0;0;0;0;0;0;0;1;1;1,0,,=,  6.580;  4.400;  4.430;  5.960;  5.130;  3.538;  4.470;  4.370;  4.020;  5.580;  6.040;  5.170,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_Q12879_WT,Low,ChEMBL30,CHEMBL193980;CHEMBL196187;CHEMBL196402;CHEMBL193980;CHEMBL193993;CHEMBL196402;CHEMBL193993;CHEMBL196187;CHEMBL196402;CHEMBL193980;CHEMBL196187;CHEMBL193993,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828180;CHEMBL828180;CHEMBL828706;CHEMBL828706;CHEMBL828290;CHEMBL828180;CHEMBL828291;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;1;0;0;1;1;1;0;1;1,0,0,0;1;0;0;1;1;0;0;0;1;0;0,0,,=,  4.020;  6.040;  4.430;  4.470;  5.170;  6.580;  4.400;  5.130;  3.538;  5.580;  5.960;  4.370,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_Q13224_WT,Low,ChEMBL30,CHEMBL193993;CHEMBL196187;CHEMBL193980;CHEMBL193980;CHEMBL196402;CHEMBL196402;CHEMBL196402;CHEMBL196187;CHEMBL196187;CHEMBL193993;CHEMBL193993;CHEMBL193980,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL828180;CHEMBL828291;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828290;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291;CHEMBL828706;CHEMBL828706,PMID:15837299,2005.0,PMID:15837299,2005,0;1;1;0;1;1;0;1;0;1;1;1,0,0,1;0;0;1;0;0;1;0;1;0;0;0,0,,=,  5.170;  5.960;  4.020;  5.580;  4.430;  3.538;  6.580;  5.130;  6.040;  4.370;  4.400;  4.470,4.974,0.882,0.266,12.0,4.8,0.605
-PWAWBYGMUYUAIE_on_Q14957_WT,Low,ChEMBL30,CHEMBL196402;CHEMBL193980;CHEMBL196187;CHEMBL196402;CHEMBL193980;CHEMBL193980;CHEMBL196402;CHEMBL196187;CHEMBL193993;CHEMBL193993;CHEMBL196187;CHEMBL193993,COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1,PWAWBYGMUYUAIE,PWAWBYGMUYUAIE-UHFFFAOYSA-N,"InChI=1S/C19H22ClNO3/c1-23-18-9-13-7-8-21-16(15(13)10-19(18)24-2)11-17(22)12-3-5-14(20)6-4-12/h3-6,9-10,16-17,21-22H,7-8,11H2,1-2H3","""AuxInfo=1/0/N:1,6,19,24,20,23,11,12,10,7,15,18,9,21,8,14,16,3,4,22,13,17,2,5/E:(3,4)(5,6)/rA:24COCCOCCCCCCCNCCCOCCCCClCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s9;s11;s12;s8s13;s14;s15;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL828290;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828706;CHEMBL828291;CHEMBL828706;CHEMBL828291;CHEMBL828180;CHEMBL828706;CHEMBL828180;CHEMBL828291,PMID:15837299,2005.0,PMID:15837299,2005,1;0;1;0;1;1;1;1;0;1;0;1,0,0,0;1;0;1;0;0;0;0;1;0;1;0,0,,=,  3.538;  5.580;  5.130;  6.580;  4.470;  4.020;  4.430;  5.960;  5.170;  4.400;  6.040;  4.370,4.974,0.882,0.266,12.0,4.8,0.605
-PWDALQSYHZMANN_on_P14867_WT,Low,ChEMBL30,CHEMBL382320,Oc1noc(C2CCNCC2)c1-c1cc2c(cccc2)cc1,PWDALQSYHZMANN,PWDALQSYHZMANN-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)","""AuxInfo=1/1/N:18,19,17,20,21,22,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-PWDALQSYHZMANN_on_P18507_WT,Low,ChEMBL30,CHEMBL382320,Oc1noc(C2CCNCC2)c1-c1cc2c(cccc2)cc1,PWDALQSYHZMANN,PWDALQSYHZMANN-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)","""AuxInfo=1/1/N:18,19,17,20,21,22,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-PWDALQSYHZMANN_on_P28472_WT,Low,ChEMBL30,CHEMBL382320,Oc1noc(C2CCNCC2)c1-c1cc2c(cccc2)cc1,PWDALQSYHZMANN,PWDALQSYHZMANN-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)","""AuxInfo=1/1/N:18,19,17,20,21,22,7,11,8,10,14,16,6,15,13,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-PWFVUMZSGRRASJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403688;71713017,O=C(C1CC(F)C1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,PWFVUMZSGRRASJ,PWFVUMZSGRRASJ-UHFFFAOYSA-N,"InChI=1S/C19H17FN2OS/c20-15-10-14(11-15)19(23)22-9-8-16-17(12-22)24-18(21-16)7-6-13-4-2-1-3-5-13/h1-5,14-15H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,17,16,10,9,4,7,13,18,3,5,11,12,15,2,6,24,8,1,14/E:(2,3)(4,5)(10,11)/rA:24OCCCCFCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s5;s2;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.070;  7.071,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-PWKAUXJSVCIORC_on_P41594_WT,High,ChEMBL30,CHEMBL3655650,CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Br)c2)c1,PWKAUXJSVCIORC,PWKAUXJSVCIORC-UHFFFAOYSA-N,"InChI=1S/C17H13BrClN5O/c1-24(14-8-20-10-21-9-14)13-6-15(19)22-16(7-13)23-17(25)11-3-2-4-12(18)5-11/h2-10H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,20,19,21,24,10,25,4,8,6,18,22,9,3,11,14,16,23,12,5,7,13,15,2,17/E:(8,9)(20,21)/rA:25CNCCNCNCCCCClNCNCOCCCCCBrCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d11;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-PWNQQNJVGHVEHG_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,70694132;CHEMBL2029816,CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2Cl)c(C#N)c1=O,PWNQQNJVGHVEHG,PWNQQNJVGHVEHG-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O2/c1-3-4-10-26-11-8-18(20(14-24)22(26)27)19-6-5-16(13-21(19)23)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3","""AuxInfo=1/0/N:1,19,2,3,11,10,15,7,16,4,6,20,21,25,18,12,14,8,9,24,22,27,23,26,17,5,28,13/rA:28CCCCNCCCCCCCOCCCNCCCCCClCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;s12;s9d21;s22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  6.030;  6.030,6.03,0.0,0.0,2.0,6.03,0.0
-PWOQCZLPANHRRJ_on_O00591_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_O14764_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P14867_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P18505_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P18507_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P28472_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P31644_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P34903_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P47869_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P47870_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P48169_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_P78334_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWOQCZLPANHRRJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL329175,Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1,PWOQCZLPANHRRJ,PWOQCZLPANHRRJ-UHFFFAOYSA-N,"InChI=1S/C14H8FN3O2/c15-8-5-6-9-11(7-8)18(13(19)16-9)14-17-10-3-1-2-4-12(10)20-14/h1-7H,(H,16,19)","""AuxInfo=1/1/N:18,17,19,16,9,10,6,7,4,14,5,15,2,12,8,3,13,11,1,20/rA:20OCNCCCCFCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s2s5;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-PWPAPLLPWDVVQX_on_P41594_WT,High,ChEMBL30,CHEMBL1779888,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccn1)cc2,PWPAPLLPWDVVQX,PWPAPLLPWDVVQX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O/c25-21-19-12-11-17(10-9-16-6-4-5-14-22-16)23-20(19)13-15-24(21)18-7-2-1-3-8-18/h4-6,11-12,14,18H,1-3,7-8,13,15H2","""AuxInfo=1/0/N:11,10,12,20,21,19,9,13,17,16,24,25,5,22,6,18,15,8,3,4,2,23,14,7,1/E:(2,3)(7,8)/rA:25OCCCCCNCCCCCCNCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s18d22;s15;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  5.650;  6.290,5.97,0.32,0.32,2.0,5.97,0.32
-PWQQEHSIESJWMA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3940628,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCCC3)cc2n1,PWQQEHSIESJWMA,PWQQEHSIESJWMA-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O2/c22-15-6-3-13(4-7-15)17-12-19(20(23)26)24-18-11-14(5-8-16(17)18)21(27)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H2,23,26)","""AuxInfo=1/1/N:22,23,8,13,16,9,12,15,21,24,25,5,7,17,10,14,6,26,4,2,18,11,1,27,20,3,19/E:(1,2)(3,4)(6,7)(9,10)/rA:27NCOCCCCCCCFCCCCCCCONCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;d18;s18;s20;s21;s22;s20s23;d17;s14s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-PWRHYRPHBVYXDN_on_Q13255_WT,High,ChEMBL30,CHEMBL3797793,N#Cc1csc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1,PWRHYRPHBVYXDN,PWRHYRPHBVYXDN-UHFFFAOYSA-N,"InChI=1S/C18H11N3O2S/c19-9-11-10-24-18(20-11)21-17(22)16-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)16/h1-8,10,16H,(H,20,21,22)","""AuxInfo=1/1/N:13,21,14,22,12,20,15,23,2,4,3,11,19,16,18,10,8,6,1,24,7,9,17,5/E:(1,2)(3,4)(5,6)(7,8)(12,13)(14,15)/rA:24NCCCSCNCOCCCCCCCOCCCCCCN/rB:t1;s2;d3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s11d15;s16;s17;s10d18;s19;d20;s21;s18d22;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186;CHEMBL3804560;CHEMBL3803186;CHEMBL3804561,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  6.150;  6.740;  6.140;  6.740,6.443,0.298,0.172,4.0,6.445,0.295
-PWZVRYNFWVGCLW_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799064,Cc1c(C2CC2CO)n2c(=O)cc(Cc3cccc(C#N)c3F)nc2s1,PWZVRYNFWVGCLW,PWZVRYNFWVGCLW-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-10-18(15-6-13(15)9-24)23-16(25)7-14(22-19(23)26-10)5-11-3-2-4-12(8-21)17(11)20/h2-4,7,13,15,24H,5-6,9H2,1H3","""AuxInfo=1/0/N:1,17,16,18,14,5,12,20,7,2,15,19,6,13,4,10,22,3,25,23,21,24,9,8,11,26/rA:26CCCCCCCONCOCCCCCCCCCNCFNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;d15;s16;d17;s18;s19;t20;s15d19;s22;s13;s9d24;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-PWZVRYNFWVGCLW_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799064,Cc1c(C2CC2CO)n2c(=O)cc(Cc3cccc(C#N)c3F)nc2s1,PWZVRYNFWVGCLW,PWZVRYNFWVGCLW-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-10-18(15-6-13(15)9-24)23-16(25)7-14(22-19(23)26-10)5-11-3-2-4-12(8-21)17(11)20/h2-4,7,13,15,24H,5-6,9H2,1H3","""AuxInfo=1/0/N:1,17,16,18,14,5,12,20,7,2,15,19,6,13,4,10,22,3,25,23,21,24,9,8,11,26/rA:26CCCCCCCONCOCCCCCCCCCNCFNCS/rB:s1;d2;s3;s4;s4s5;s6;s7;s3;s9;d10;s10;d12;s13;s14;d15;s16;d17;s18;s19;t20;s15d19;s22;s13;s9d24;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-PXCNTFGNWZTRTM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108665,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)ccn1,PXCNTFGNWZTRTM,PXCNTFGNWZTRTM-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c1-12-9-14(5-7-26-12)19-18-6-8-29-13(2)11-28(18)20(27-19)15-3-4-17(22)16(10-15)21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,20,18,6,5,14,21,19,22,23,24,29,26,13,9/E:(23,24,25)/rA:29CCCCCCCCOCCCNCCCCCFCCFFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s21;s15d20;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-PXCVVFWVLHUINV_on_P14867_WT,Low,ChEMBL30,CHEMBL370718,Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,PXCVVFWVLHUINV,PXCVVFWVLHUINV-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,25,16,20,24,26,10,13,23,7,4,15,11,12,9,14,6,5,22,3,21,2,8/E:(3,4)(6,7)/rA:26CNNCNCCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s12d22;d11;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-PXCVVFWVLHUINV_on_P18507_WT,Low,ChEMBL30,CHEMBL370718,Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,PXCVVFWVLHUINV,PXCVVFWVLHUINV-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,25,16,20,24,26,10,13,23,7,4,15,11,12,9,14,6,5,22,3,21,2,8/E:(3,4)(6,7)/rA:26CNNCNCCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s12d22;d11;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.980;  8.060;  8.070,8.037,0.04,0.027999999999999997,3.0,8.06,0.01
-PXCVVFWVLHUINV_on_P28472_WT,Low,ChEMBL30,CHEMBL370718,Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,PXCVVFWVLHUINV,PXCVVFWVLHUINV-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,25,16,20,24,26,10,13,23,7,4,15,11,12,9,14,6,5,22,3,21,2,8/E:(3,4)(6,7)/rA:26CNNCNCCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s12d22;d11;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.980;  8.070;  8.060,8.037,0.04,0.027999999999999997,3.0,8.06,0.01
-PXCVVFWVLHUINV_on_P31644_WT,Low,ChEMBL30,CHEMBL370718,Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,PXCVVFWVLHUINV,PXCVVFWVLHUINV-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,25,16,20,24,26,10,13,23,7,4,15,11,12,9,14,6,5,22,3,21,2,8/E:(3,4)(6,7)/rA:26CNNCNCCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s12d22;d11;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-PXCVVFWVLHUINV_on_P34903_WT,Low,ChEMBL30,CHEMBL370718,Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,PXCVVFWVLHUINV,PXCVVFWVLHUINV-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3","""AuxInfo=1/0/N:1,18,17,19,25,16,20,24,26,10,13,23,7,4,15,11,12,9,14,6,5,22,3,21,2,8/E:(3,4)(6,7)/rA:26CNNCNCCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s12d22;d11;s24;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-PXFHZCVFXFNCGQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3979211,COCC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1,PXFHZCVFXFNCGQ,PXFHZCVFXFNCGQ-UHFFFAOYSA-N,"InChI=1S/C21H25N5O3/c1-25-11-15(9-23-25)18-8-20(21(22)27)24-19-7-14(3-4-17(18)19)10-26-5-6-29-16(12-26)13-28-2/h3-4,7-9,11,16H,5-6,10,12-13H2,1-2H3,(H2,22,27)","""AuxInfo=1/1/N:16,1,9,10,27,28,26,19,18,7,14,5,3,8,13,4,11,12,25,20,21,22,17,24,15,6,23,2,29/rA:29COCCCNCCCCCCCCNCNCCCCNONCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s20;s21;d21;d20;s11s24;s8d25;s6;s27;s4s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-PXLJMGCNGCDJTO_on_Q05586_WT,Low,ChEMBL30,CHEMBL3983039,Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,PXLJMGCNGCDJTO,PXLJMGCNGCDJTO-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3","""AuxInfo=1/0/N:1,28,27,5,12,22,7,14,2,6,13,4,17,23,26,10,3,18,24,19,20,21,8,25,16,15,9,11/E:(20,21,22)/rA:28CCCCCCCNNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;s4;s4s5;s6;t7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-PXLJMGCNGCDJTO_on_Q12879_WT,Low,ChEMBL30,CHEMBL3983039,Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,PXLJMGCNGCDJTO,PXLJMGCNGCDJTO-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3","""AuxInfo=1/0/N:1,28,27,5,12,22,7,14,2,6,13,4,17,23,26,10,3,18,24,19,20,21,8,25,16,15,9,11/E:(20,21,22)/rA:28CCCCCCCNNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;s4;s4s5;s6;t7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-PXOVHWCIJDUPOW_on_O15303_WT,High,ChEMBL30,CHEMBL568300,COC(=O)c1c(N)sc(-c2ccccc2)c1C,PXOVHWCIJDUPOW,PXOVHWCIJDUPOW-UHFFFAOYSA-N,"InChI=1S/C13H13NO2S/c1-8-10(13(15)16-2)12(14)17-11(8)9-6-4-3-5-7-9/h3-7H,14H2,1-2H3","""AuxInfo=1/0/N:17,1,13,12,14,11,15,16,10,5,9,6,3,7,4,2,8/E:(4,5)(6,7)/rA:17COCOCCNSCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s5d9;s16;/rC:;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-PXOVHWCIJDUPOW_on_P41594_WT,High,ChEMBL30,CHEMBL568300,COC(=O)c1c(N)sc(-c2ccccc2)c1C,PXOVHWCIJDUPOW,PXOVHWCIJDUPOW-UHFFFAOYSA-N,"InChI=1S/C13H13NO2S/c1-8-10(13(15)16-2)12(14)17-11(8)9-6-4-3-5-7-9/h3-7H,14H2,1-2H3","""AuxInfo=1/0/N:17,1,13,12,14,11,15,16,10,5,9,6,3,7,4,2,8/E:(4,5)(6,7)/rA:17COCOCCNSCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;s8;s9;d10;s11;d12;s13;s10d14;s5d9;s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1052809,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-PXPIPISKMPWOST_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163465,O=C(O)c1c(CNCc2ccccc2)c2c(cc(Cl)cc2Cl)[nH]1,PXPIPISKMPWOST,PXPIPISKMPWOST-UHFFFAOYSA-N,"InChI=1S/C17H14Cl2N2O2/c18-11-6-13(19)15-12(16(17(22)23)21-14(15)7-11)9-20-8-10-4-2-1-3-5-10/h1-7,20-21H,8-9H2,(H,22,23)","""AuxInfo=1/1/N:12,11,13,10,14,20,17,8,6,9,18,5,21,16,15,4,2,19,22,7,23,1,3/E:(2,3)(4,5)(22,23)/rA:23OCOCCCNCCCCCCCCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s16;d17;s18;s18;s15d20;s21;s4s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  4.040,4.04,0.0,0.0,1.0,4.04,0.0
-PXPQQIHZMQIZCQ_on_O00591_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_O14764_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P14867_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P18505_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P18507_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P28472_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P31644_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P34903_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P47869_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P47870_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P48169_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_P78334_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPQQIHZMQIZCQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL329405,Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1,PXPQQIHZMQIZCQ,PXPQQIHZMQIZCQ-UHFFFAOYSA-N,"InChI=1S/C14H9N3OS/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PXPTVWFVDWASDG_on_P41594_WT,High,ChEMBL30,CHEMBL405018,Cc1cn2cc(C(N)=O)cc2c(C#Cc2cscc2)n1,PXPTVWFVDWASDG,PXPTVWFVDWASDG-UHFFFAOYSA-N,"InChI=1S/C15H11N3OS/c1-10-7-18-8-12(15(16)19)6-14(18)13(17-10)3-2-11-4-5-20-9-11/h4-9H,1H3,(H2,16,19)","""AuxInfo=1/1/N:1,14,13,19,18,10,3,5,16,2,15,6,12,11,7,8,20,4,9,17/rA:20CCCNCCCNOCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s6;s4d10;s11;s12;t13;s14;d15;s16;s17;s15d18;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-PXQAGCSOQDRIIH_on_P41594_WT,High,ExCAPE-DB,11688177,Cn1cc(O)nc1NC(=O)Nc1cc(Br)ccc1,PXQAGCSOQDRIIH,PXQAGCSOQDRIIH-UHFFFAOYSA-N,"InChI=1S/C11H11BrN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)","""AuxInfo=1/1/N:1,17,16,18,13,3,14,12,4,7,9,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCBrCCC/rB:s1;s2;d3;s4;s4;s2d6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:261160,PubChemAID:261160,2010.0,PubChemAID:261160,2010,0,0,0,0,1,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-PXQNDVACVVEHMQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL377419;11737347,Cc1cccc(C#CC(C)Oc2cc(Cl)ccc2)n1,PXQNDVACVVEHMQ,PXQNDVACVVEHMQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClNO/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3","""AuxInfo=1/0/N:1,10,4,17,3,16,5,18,8,7,13,2,9,14,6,12,15,19,11/rA:19CCCCCCCCCCOCCCClCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s9;s11;d12;s13;s14;d14;s16;s12d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303;PubChemAID:270780,PMID:16837196,2006.0,PMID:16837196;PubChemAID:270780,2006;2010,1;0,0,0,0,0;1,,=,  6.550;  6.551,6.55,0.001,0.001,2.0,6.55,0.001
-PXQNLQLMRMROSB_on_Q14416_WT,High,ChEMBL30,CHEMBL2204436,Clc1cc(Cl)c(CNC2CCN(c3ncc(Br)cn3)C2)cc1,PXQNLQLMRMROSB,PXQNLQLMRMROSB-UHFFFAOYSA-N,"InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2","""AuxInfo=1/0/N:21,22,10,11,3,7,15,18,20,6,16,2,9,4,13,17,1,5,8,14,19,12/E:(7,8)(20,21)/rA:22ClCCCClCCNCCCNCNCCBrCNCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s9s12;s6;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2390127,PMID:22607673,2012.0,PMID:23718281,2013,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-PXQNLQLMRMROSB_on_Q14832_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,11503055;CHEMBL2204436;CHEMBL2204436,Clc1ccc(CNC2CCN(c3ncc(Br)cn3)C2)c(Cl)c1,PXQNLQLMRMROSB,PXQNLQLMRMROSB-UHFFFAOYSA-N,"InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2","""AuxInfo=1/0/N:4,3,9,10,22,6,14,17,19,5,15,2,8,20,12,16,1,21,7,13,18,11/E:(7,8)(20,21)/rA:22ClCCCCCNCCCNCNCCBrCNCCClC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s15;s12d17;s8s11;s5;s20;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:716169;CHEMBL2390129;CHEMBL2213651,PMID:22607673,2012.0,PubChemAID:716169;PMID:23718281;PMID:22607673,2013;2013;2012,0;1;1,0,0,0,1;0;0,,=,  6.721;  5.380;  6.720,6.274,0.632,0.447,3.0,6.72,0.001
-PXUGAXNBWJVVQY_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL227199;16736030,Cc1nc(C#Cc2ccccc2)nnc1,PXUGAXNBWJVVQY,PXUGAXNBWJVVQY-UHFFFAOYSA-N,"InChI=1S/C12H9N3/c1-10-9-13-15-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,6,5,15,2,7,4,14,3,13/E:(3,4)(5,6)/rA:15CCNCCCCCCCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663;PubChemAID:291521,PMID:17569516,2007.0,PMID:17569516;PubChemAID:291521,2007;2010,1;0,0,0,0,0;1,,=,  6.850;  6.854,6.852,0.002,0.002,2.0,6.852,0.002
-PXZLUHYIZORXEF_on_P41594_WT,Medium,ChEMBL30,CHEMBL4115312,O=C1OCC2CCCC2N1c1ccc(C#Cc2cc(F)ccc2)cn1,PXZLUHYIZORXEF,PXZLUHYIZORXEF-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O2/c21-17-5-1-3-14(11-17)7-8-15-9-10-19(22-12-15)23-18-6-2-4-16(18)13-25-20(23)24/h1,3,5,9-12,16,18H,2,4,6,13H2","""AuxInfo=1/0/N:22,7,23,6,21,8,16,15,13,12,18,24,4,17,14,5,19,9,11,2,20,25,10,1,3/rA:25OCOCCCCCCNCCCCCCCCCFCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;s19;d19;s21;s17d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887765,PATENT:US9221802B2,2015.0,PATENT:US9221802B2,2015,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-PYBQLTAMUMRYNX_on_P14867_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.870,8.87,0.0,0.0,1.0,8.87,0.0
-PYBQLTAMUMRYNX_on_P18507_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681480;CHEMBL683045;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.900;  9.080;  8.690;  8.880;  8.870,8.884,0.124,0.062,5.0,8.88,0.02
-PYBQLTAMUMRYNX_on_P28472_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL678329;CHEMBL683045;CHEMBL681248;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.080;  8.870;  8.690;  8.880;  8.900,8.884,0.124,0.062,5.0,8.88,0.02
-PYBQLTAMUMRYNX_on_P31644_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.080,9.08,0.0,0.0,1.0,9.08,0.0
-PYBQLTAMUMRYNX_on_P34903_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.900,8.9,0.0,0.0,1.0,8.9,0.0
-PYBQLTAMUMRYNX_on_P47869_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.880,8.88,0.0,0.0,1.0,8.88,0.0
-PYBQLTAMUMRYNX_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144617,COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12,PYBQLTAMUMRYNX,PYBQLTAMUMRYNX-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,4,5,8,10,15,3,6,11,7,22,12,9,21,14,13,2/E:(3,4)(5,6)/rA:22COCCCCCCNCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s12;s14;d15;s16;d17;s18;s15d19;s14;s6s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.690,8.69,0.0,0.0,1.0,8.69,0.0
-PYCDNJSXQRXRFH_on_O00222_WT,High,ChEMBL30,CHEMBL218710,NC1(C(=O)O)C[S+]([O-])C2C(C(=O)O)C21,PYCDNJSXQRXRFH,PYCDNJSXQRXRFH-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCS+O-CCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL912291,PMID:17228865,2007.0,PMID:17228865,2007,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-PYCDNJSXQRXRFH_on_Q14416_WT,High,ChEMBL30,CHEMBL218710,NC1(C(=O)O)C[S+]([O-])C2C(C(=O)O)C21,PYCDNJSXQRXRFH,PYCDNJSXQRXRFH-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCS+O-CCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL910533;CHEMBL910519;CHEMBL910533;CHEMBL910519,PMID:17228865,2007.0,PMID:17228865,2007,0,1;0;1;0,0,0;1;0;1,0,,=,  7.740;  6.290; 10.050;  8.360,8.11,1.349,0.779,4.0,8.05,1.035
-PYCDNJSXQRXRFH_on_Q14832_WT,High,ChEMBL30,CHEMBL218710,NC1(C(=O)O)C[S+]([O-])C2C(C(=O)O)C21,PYCDNJSXQRXRFH,PYCDNJSXQRXRFH-UHFFFAOYSA-N,"InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,10,14,9,11,3,2,1,12,13,4,5,8,7/E:(9,10)(11,12)/rA:14NCCOOCS+O-CCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL907027;CHEMBL910532;CHEMBL907027;CHEMBL910532,PMID:17228865,2007.0,PMID:17228865,2007,0,1;0;1;0,0,0;1;0;1,0,,=,  8.850;  6.350;  6.680;  9.770,7.912000000000001,1.44,0.831,4.0,7.765,1.25
-PYDQZBCLRFOBEW_on_Q13224_WT,High,ChEMBL30,CHEMBL218104,Cc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1,PYDQZBCLRFOBEW,PYDQZBCLRFOBEW-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c1-15-4-2-5-17(12-15)14-25-19(24)23-10-6-16(7-11-23)13-22-18-20-8-3-9-21-18/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,20,3,5,13,23,19,21,12,24,25,15,7,2,14,6,17,9,18,22,16,11,10,8/E:(6,7)(8,9)(10,11)(20,21)/rA:25CCCCCCCOCONCCCCNCNCCCNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-PYGOFOKCXIJFMX_on_Q14833_WT,High,ExCAPE-DB,56587896,O=C(Nc1ccc2cc[nH]c2c1)c1ccccn1,PYGOFOKCXIJFMX,PYGOFOKCXIJFMX-UHFFFAOYSA-N,"InChI=1S/C14H11N3O/c18-14(12-3-1-2-7-15-12)17-11-5-4-10-6-8-16-13(10)9-11/h1-9,16H,(H,17,18)","""AuxInfo=1/1/N:15,16,14,6,5,8,17,9,12,7,4,13,11,2,18,10,3,1/rA:18OCNCCCCCCNCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s7s10;s4d11;s2;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PYGURBRUNSVSMZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76328955;CHEMBL3122224,CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1ccccn1)n2,PYGURBRUNSVSMZ,PYGURBRUNSVSMZ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,21,22,20,14,15,23,18,19,13,16,8,12,6,24,25,9,10,3,7,17/E:(1,2)(4,5)/rA:25CCNCCCOCNNCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1071426;CHEMBL3124717,PMID:24392688,2014.0,PubChemAID:1071426;PMID:24392688,2014,0,0,0,0;1,1;0,,=,  8.314;  8.310,8.312000000000001,0.002,0.002,2.0,8.312000000000001,0.002
-PYGURBRUNSVSMZ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3122224;76328955,CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1ccccn1)n2,PYGURBRUNSVSMZ,PYGURBRUNSVSMZ-UHFFFAOYSA-N,"InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3","""AuxInfo=1/0/N:1,5,11,2,4,21,22,20,14,15,23,18,19,13,16,8,12,6,24,25,9,10,3,7,17/E:(1,2)(4,5)/rA:25CCNCCCOCNNCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715;PubChemAID:1071424,PMID:24392688,2014.0,PMID:24392688;PubChemAID:1071424,2014,1;0,0,0,0,0;1,,=,  5.230;  5.231,5.231,0.0,0.0,2.0,5.231,0.0
-PYIPHPLBQSBEAS_on_P41594_WT,Medium,ChEMBL30,CHEMBL430387,COc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1,PYIPHPLBQSBEAS,PYIPHPLBQSBEAS-UHFFFAOYSA-N,"InChI=1S/C15H12N2O4/c1-20-10-5-2-4-9(8-10)16-14(18)11-6-3-7-12-13(11)17-15(19)21-12/h2-8H,1H3,(H,16,18)(H,17,19)","""AuxInfo=1/1/N:1,5,13,6,4,12,14,21,7,3,11,15,16,9,18,8,17,10,19,2,20/rA:21COCCCCCNCOCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-PYMPQHSJRUVZKT_on_P41594_WT,Low,ChEMBL30,CHEMBL380848,Cc1nc(C#Cc2cnc(Cl)cc2)cs1,PYMPQHSJRUVZKT,PYMPQHSJRUVZKT-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)4-2-9-3-5-11(12)13-6-9/h3,5-7H,1H3","""AuxInfo=1/0/N:1,6,13,5,12,8,14,2,7,4,10,11,9,3,15/rA:15CCNCCCCCNCClCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PYUZAEWTMMSBQU_on_Q13255_WT,High,ChEMBL30,CHEMBL3759563,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1,PYUZAEWTMMSBQU,PYUZAEWTMMSBQU-UHFFFAOYSA-N,"InChI=1S/C19H13ClN4O3/c1-10-9-21-23-16(10)17(25)22-11-6-7-15(14(20)8-11)24-18(26)12-4-2-3-5-13(12)19(24)27/h2-9H,1H3,(H,21,23)(H,22,25)","""AuxInfo=1/1/N:1,20,21,19,22,11,12,27,3,2,10,18,17,25,13,6,7,23,15,26,4,9,5,14,8,24,16/E:(2,3)(4,5)(12,13)(18,19)(26,27)/rA:27CCCNNCCONCCCCNCOCCCCCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-PYXJKYJAFMLYMS_on_P14867_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL865018,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-PYXJKYJAFMLYMS_on_P18507_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865019;CHEMBL870713;CHEMBL865018;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.070;  7.960;  8.820;  7.920,8.192,0.366,0.212,4.0,8.015,0.075
-PYXJKYJAFMLYMS_on_P28472_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865019;CHEMBL865018;CHEMBL870713,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  7.920;  8.070;  8.820;  7.960,8.192,0.366,0.212,4.0,8.015,0.075
-PYXJKYJAFMLYMS_on_P31644_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-PYXJKYJAFMLYMS_on_P34903_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-PYXJKYJAFMLYMS_on_P47869_WT,Low,ChEMBL30,CHEMBL202789,Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1,PYXJKYJAFMLYMS,PYXJKYJAFMLYMS-UHFFFAOYSA-N,InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H,"""AuxInfo=1/0/N:26,25,13,27,20,3,10,17,29,12,11,18,2,14,23,21,4,7,15,6,19,1,24,22,5,16,28,9,8/rA:29FCCCFCCNNCCCCCCNCCFCCFCFCCCNC/rB:s1;d2;s3;s4;d4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;d14;s23;s23;s12d25;s7d11;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL870713,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-PZBQACUEBPBXOH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594110,CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1,PZBQACUEBPBXOH,PZBQACUEBPBXOH-UHFFFAOYSA-N,"""InChI=1S/C19H32O4S.C5H5N/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18;1-2-4-6-5-3-1/h13-17H,3-12H2,1-2H3,(H,20,21,22);1-5H""","""AuxInfo=1/1/N:1,21,4,5,9,8,18,23,3,24,19,11,10,12,7,6,22,2,20,15,16,17,13,14;25,26,30,27,29,28/E:(20,21,22);(2,3)(4,5)/CRV:24.6;/rA:30CCCCCCCCCCCCOSOOOCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s2s23;;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-PZBQACUEBPBXOH_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594110,CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1,PZBQACUEBPBXOH,PZBQACUEBPBXOH-UHFFFAOYSA-N,"""InChI=1S/C19H32O4S.C5H5N/c1-18-9-3-4-16(18)15-6-5-13-12-14(23-24(20,21)22)7-11-19(13,2)17(15)8-10-18;1-2-4-6-5-3-1/h13-17H,3-12H2,1-2H3,(H,20,21,22);1-5H""","""AuxInfo=1/1/N:1,21,4,5,9,8,18,23,3,24,19,11,10,12,7,6,22,2,20,15,16,17,13,14;25,26,30,27,29,28/E:(20,21,22);(2,3)(4,5)/CRV:24.6;/rA:30CCCCCCCCCCCCOSOOOCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s2s23;;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-PZCZTZBJZZNGCF_on_P14867_WT,Low,ChEMBL30,CHEMBL3962969,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(F)ccc3n2)cc1,PZCZTZBJZZNGCF,PZCZTZBJZZNGCF-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,12,13,3,23,4,22,18,19,8,15,2,5,16,7,20,9,6,17,21,11,14,10/E:(2,3)(4,5)(6,7)/rA:23CCCCCCCCCONCCNCCFCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-PZCZTZBJZZNGCF_on_P18507_WT,Low,ChEMBL30,CHEMBL3962969,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(F)ccc3n2)cc1,PZCZTZBJZZNGCF,PZCZTZBJZZNGCF-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,12,13,3,23,4,22,18,19,8,15,2,5,16,7,20,9,6,17,21,11,14,10/E:(2,3)(4,5)(6,7)/rA:23CCCCCCCCCONCCNCCFCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-PZCZTZBJZZNGCF_on_P47870_WT,Low,ChEMBL30,CHEMBL3962969,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(F)ccc3n2)cc1,PZCZTZBJZZNGCF,PZCZTZBJZZNGCF-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,12,13,3,23,4,22,18,19,8,15,2,5,16,7,20,9,6,17,21,11,14,10/E:(2,3)(4,5)(6,7)/rA:23CCCCCCCCCONCCNCCFCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-PZECAZVVKYJHFH_on_P41594_WT,High,ChEMBL30,CHEMBL2205909,CCN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,PZECAZVVKYJHFH,PZECAZVVKYJHFH-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2S/c1-4-22(2)16-13-14-15(26-17(13)20-9-19-16)18(24)23(10-21-14)11-5-7-12(25-3)8-6-11/h5-10H,4H2,1-3H3","""AuxInfo=1/0/N:1,4,22,2,18,24,19,23,9,15,17,20,6,13,12,5,7,25,10,8,14,3,16,26,21,11/E:(5,6)(7,8)/rA:26CCNCCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;s3;s3;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-PZECAZVVKYJHFH_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205909;57559280,CCN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,PZECAZVVKYJHFH,PZECAZVVKYJHFH-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2S/c1-4-22(2)16-13-14-15(26-17(13)20-9-19-16)18(24)23(10-21-14)11-5-7-12(25-3)8-6-11/h5-10H,4H2,1-3H3","""AuxInfo=1/0/N:1,4,22,2,18,24,19,23,9,15,17,20,6,13,12,5,7,25,10,8,14,3,16,26,21,11/E:(5,6)(7,8)/rA:26CCNCCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;s3;s3;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  8.520;  8.523,8.521,0.002,0.002,2.0,8.521,0.002
-PZGMIJRCARRJQU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL403390;44453143,Cc1cn2cc(C#N)cc2c(C#Cc2cscc2)n1,PZGMIJRCARRJQU,PZGMIJRCARRJQU-UHFFFAOYSA-N,"InChI=1S/C15H9N3S/c1-11-8-18-9-13(7-16)6-15(18)14(17-11)3-2-12-4-5-19-10-12/h4-6,8-10H,1H3","""AuxInfo=1/0/N:1,13,12,18,17,9,7,3,5,15,2,14,6,11,10,8,19,4,16/rA:19CCCNCCCNCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;t7;s6;s4d9;s10;s11;t12;s13;d14;s15;s16;s14d17;s2d11;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  9.400;  9.400,9.4,0.0,0.0,2.0,9.4,0.0
-PZICKINIOPPAGP_on_Q14416_WT,High,ChEMBL30,CHEMBL3616851;CHEMBL3616858;CHEMBL3616851;CHEMBL3616851;CHEMBL3616858;CHEMBL3616858,Nc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,PZICKINIOPPAGP,PZICKINIOPPAGP-UHFFFAOYSA-N,"InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)","""AuxInfo=1/1/N:8,7,19,15,14,16,11,2,5,9,1,10,20,3,4,17,18,12,13,6/E:(16,17)(18,19)/rA:20NCNNCSCCCNCOOCCCOOCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s15;d16;s16;s7s14s15;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619271;CHEMBL3619271;CHEMBL3619269;CHEMBL3619407;CHEMBL3619269;CHEMBL3619407,PMID:26313429,2015.0,PMID:26313429,2015,0,1;1;0;1;0;1,0,0;0;1;0;1;0,0,,=,  8.350;  8.190;  7.170;  7.890;  7.560;  7.700,7.81,0.39299999999999996,0.17600000000000002,6.0,7.795,0.315
-PZICKINIOPPAGP_on_Q14832_WT,High,ChEMBL30,CHEMBL3616851;CHEMBL3616851;CHEMBL3616851;CHEMBL3616858;CHEMBL3616858;CHEMBL3616858,Nc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,PZICKINIOPPAGP,PZICKINIOPPAGP-UHFFFAOYSA-N,"InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)","""AuxInfo=1/1/N:8,7,19,15,14,16,11,2,5,9,1,10,20,3,4,17,18,12,13,6/E:(16,17)(18,19)/rA:20NCNNCSCCCNCOOCCCOOCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s15;d16;s16;s7s14s15;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619410;CHEMBL3619270;CHEMBL3619416;CHEMBL3619270;CHEMBL3619416;CHEMBL3619410,PMID:26313429,2015.0,PMID:26313429,2015,0;0;1;0;1;0,1;0;0;0;0;1,0,0;1;0;1;0;0,0,,=,  7.130;  7.230;  7.020;  7.160;  5.410;  6.950,6.817,0.636,0.284,6.0,7.075,0.105
-PZIQTZQOFYKORR_on_P14867_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-PZIQTZQOFYKORR_on_P18507_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.850;  7.480;  9.060;  8.070,8.115,0.585,0.33799999999999997,4.0,7.96,0.295
-PZIQTZQOFYKORR_on_P28472_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.850;  9.060;  7.480;  8.070,8.115,0.585,0.33799999999999997,4.0,7.96,0.295
-PZIQTZQOFYKORR_on_P31644_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-PZIQTZQOFYKORR_on_P34903_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-PZIQTZQOFYKORR_on_P47869_WT,Low,ChEMBL30,CHEMBL180174,c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1,PZIQTZQOFYKORR,PZIQTZQOFYKORR-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:1,2,29,18,3,28,19,24,26,23,27,17,13,25,22,4,14,9,10,5,8,11,16,15,6,7,20,21,12/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCCNNCCCCOCCNNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-PZWMQJZDDYQYGN_on_O00591_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_O14764_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_P14867_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370251;CHEMBL3370251;CHEMBL3370250;CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;0;0,0,0;0;1;1,0,,=,  4.850;  4.850;  6.270;  6.270,5.56,0.71,0.41,4.0,5.56,0.71
-PZWMQJZDDYQYGN_on_P18505_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_P18507_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370259;CHEMBL3370257;CHEMBL3370259;CHEMBL3370251;CHEMBL3370251;CHEMBL3370250;CHEMBL3370250;CHEMBL3370257,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;1;1;1;0;0;1,0,0;0;0;0;0;1;1;0,0,,=,  4.710;  5.030;  4.720;  4.850;  4.850;  6.270;  6.270;  5.030,5.216,0.619,0.23399999999999999,8.0,4.94,0.155
-PZWMQJZDDYQYGN_on_P28472_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_P31644_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_P34903_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370259;CHEMBL3370250;CHEMBL3370250;CHEMBL3370259,PMID:25038482,2014.0,PMID:25038482,2014,0,1;0;0;1,0,0;1;1;0,0,,=,  4.720;  6.270;  6.270;  4.710,5.492000000000001,0.778,0.449,4.0,5.495,0.775
-PZWMQJZDDYQYGN_on_P47869_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370257;CHEMBL3370257;CHEMBL3370250;CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;0;0,0,0;0;1;1,0,,=,  5.030;  5.030;  6.270;  6.270,5.65,0.62,0.358,4.0,5.65,0.62
-PZWMQJZDDYQYGN_on_P47870_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL3370251;CHEMBL3370257;CHEMBL3370251;CHEMBL3370257;CHEMBL3370259;CHEMBL3370259,PMID:25038482,2014.0,PMID:25038482,2014,0,0;0;1;1;1;1;1;1,0,1;1;0;0;0;0;0;0,0,,=,  6.270;  6.270;  4.850;  5.030;  4.850;  5.030;  4.720;  4.710,5.216,0.619,0.23399999999999999,8.0,4.94,0.155
-PZWMQJZDDYQYGN_on_P48169_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_P78334_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWMQJZDDYQYGN_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322886,NC1=NCC(C(=O)O)CN1,PZWMQJZDDYQYGN,PZWMQJZDDYQYGN-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)","""AuxInfo=1/1/N:4,9,5,6,2,1,3,10,7,8/E:(1,2)(7,8)(9,10)/rA:10NCNCCCOOCN/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-PZWQLTDQPCFQSW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108743,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1,PZWQLTDQPCFQSW,PZWQLTDQPCFQSW-UHFFFAOYSA-N,"InChI=1S/C24H25ClFN3O2/c1-14-9-17(10-15(2)27-14)23-21-7-8-30-19(12-26)13-29(21)24(28-23)16-3-6-22(20(25)11-16)31-18-4-5-18/h3,6,9-11,18-19H,4-5,7-8,12-13H2,1-2H3","""AuxInfo=1/0/N:1,30,17,22,23,18,7,8,3,28,26,11,13,2,29,16,4,21,10,24,6,19,5,15,25,12,31,27,14,9,20/E:(1,2)(4,5)(9,10)(14,15)/rA:31CCCCCCCCOCCFCNCCCCCOCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21s22;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-QAAJIHDSMRMZAV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL257880;25022596,Cc1cn2cc(C#N)cc2c(C#Cc2cccc(F)c2)n1,QAAJIHDSMRMZAV,QAAJIHDSMRMZAV-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c1-12-10-21-11-14(9-19)8-17(21)16(20-12)6-5-13-3-2-4-15(18)7-13/h2-4,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,16,15,17,13,12,20,9,7,3,5,2,14,6,18,11,10,19,8,21,4/rA:21CCCNCCCNCCCCCCCCCCFCN/rB:s1;d2;s3;s4;d5;s6;t7;s6;s4d9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  9.100;  9.100,9.1,0.0,0.0,2.0,9.1,0.0
-QABUURICQJOWID_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB;ExCAPE-DB,CHEMBL594297;CHEMBL593590;CHEMBL594091;CHEMBL594091;CHEMBL593590;CHEMBL594297;CHEMBL593590;23725701;23725699,CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1,QABUURICQJOWID,QABUURICQJOWID-UHFFFAOYSA-N,"InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)","""AuxInfo=1/1/N:1,21,2,5,6,4,22,23,7,12,25,18,20,11,17,3,13,15,9,14,19,24,16,8,10/rA:25CCCCCCCNCOCCCClCNCCNCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281;CHEMBL1065281;CHEMBL1065281;CHEMBL1065282;CHEMBL1065282;CHEMBL1065282;CHEMBL1065286;PubChemAID:451780;PubChemAID:451780,PMID:19931453,2010.0,PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PMID:19931453;PubChemAID:451780;PubChemAID:451780,2010,1;1;1;1;1;1;0;0;0,0,0,0;0;0;0;0;0;1;0;0,0;0;0;0;0;0;0;1;1,,=,  6.960;  7.500;  6.410;  6.440;  7.440;  7.050;  7.420;  6.444;  7.444,7.0120000000000005,0.446,0.158,9.0,7.05,0.39399999999999996
-QABUURICQJOWID_on_Q13255_WT,Low,ChEMBL30,CHEMBL593590,CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1,QABUURICQJOWID,QABUURICQJOWID-UHFFFAOYSA-N,"InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)","""AuxInfo=1/1/N:1,21,2,5,6,4,22,23,7,12,25,18,20,11,17,3,13,15,9,14,19,24,16,8,10/rA:25CCCCCCCNCOCCCClCNCCNCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1045613,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QABUURICQJOWID_on_Q14416_WT,Low,ChEMBL30,CHEMBL593590,CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1,QABUURICQJOWID,QABUURICQJOWID-UHFFFAOYSA-N,"InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)","""AuxInfo=1/1/N:1,21,2,5,6,4,22,23,7,12,25,18,20,11,17,3,13,15,9,14,19,24,16,8,10/rA:25CCCCCCCNCOCCCClCNCCNCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1045614,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QABUURICQJOWID_on_Q14831_WT,Low,ChEMBL30,CHEMBL593590,CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1,QABUURICQJOWID,QABUURICQJOWID-UHFFFAOYSA-N,"InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)","""AuxInfo=1/1/N:1,21,2,5,6,4,22,23,7,12,25,18,20,11,17,3,13,15,9,14,19,24,16,8,10/rA:25CCCCCCCNCOCCCClCNCCNCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1045615,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QAEGBUUUKIIAML_on_Q05586_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL248445;44443077,COCCN(c1c2nc(O)c(O)nc2cc(Cl)c1C)S(C)(=O)=O,QAEGBUUUKIIAML,QAEGBUUUKIIAML-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3O5S/c1-7-8(14)6-9-10(16-13(19)12(18)15-9)11(7)17(4-5-22-2)23(3,20)21/h6H,4-5H2,1-3H3,(H,15,18)(H,16,19)","""AuxInfo=1/1/N:19,1,21,4,3,15,18,16,14,7,6,11,9,17,13,8,5,12,10,22,23,2,20/E:(20,21)/CRV:23.6/rA:23COCCNCCNCOCONCCCClCCSCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;s18;s5;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322;PubChemAID:308473,PMID:17562362,2007.0,PMID:17562362;PubChemAID:308473,2007;2010,1;0,0,0,0,0;1,,=,  7.130;  7.131,7.13,0.001,0.001,2.0,7.13,0.001
-QAHGNZYFTSTHIG_on_O00222_WT,Low,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-QAHGNZYFTSTHIG_on_P41594_WT,Low,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-QAHGNZYFTSTHIG_on_Q13255_WT,Low,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-QAHGNZYFTSTHIG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-QAHGNZYFTSTHIG_on_Q14832_WT,Medium,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-QAHGNZYFTSTHIG_on_Q14833_WT,Low,ChEMBL30,CHEMBL302411,NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1,QAHGNZYFTSTHIG,QAHGNZYFTSTHIG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O4/c18-17(16(22)23)8-14(15(20)21)19(10-17)9-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:19,20,15,18,16,14,21,6,12,23,17,13,22,7,8,3,2,1,11,9,10,4,5/E:(20,21)(22,23)/rA:23NCCOOCCCOONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-QAHMMZQSMDIJJU_on_Q05586_WT,Medium,ChEMBL30,CHEMBL325825,Oc1nc2c(ccc(C#CCN3CCC(Cc4ccc(Cl)cc4)CC3)c2)[nH]1,QAHMMZQSMDIJJU,QAHMMZQSMDIJJU-UHFFFAOYSA-N,"InChI=1S/C22H22ClN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)","""AuxInfo=1/1/N:10,9,18,23,7,19,22,6,14,24,11,13,25,16,26,8,17,15,20,5,4,2,21,27,3,12,1/E:(3,4)(6,7)(9,10)(12,13)/rA:27OCNCCCCCCCCNCCCCCCCCClCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s12s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QAIBKBYIWSEHQG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289627,Oc1ccc2c(c1)CCN(CCCOc1ccccc1)CC2O,QAIBKBYIWSEHQG,QAIBKBYIWSEHQG-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-23-17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2","""AuxInfo=1/0/N:18,17,19,12,16,20,3,4,8,11,9,13,7,21,6,2,15,5,22,10,1,23,14/E:(2,3)(5,6)/rA:23OCCCCCCCCNCCCOCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QAIBKBYIWSEHQG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289627,Oc1ccc2c(c1)CCN(CCCOc1ccccc1)CC2O,QAIBKBYIWSEHQG,QAIBKBYIWSEHQG-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-23-17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2","""AuxInfo=1/0/N:18,17,19,12,16,20,3,4,8,11,9,13,7,21,6,2,15,5,22,10,1,23,14/E:(2,3)(5,6)/rA:23OCCCCCCCCNCCCOCCCCCCCCO/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s5s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QAMANTJYKWSLNP_on_P14867_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681636,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-QAMANTJYKWSLNP_on_P18507_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681484;CHEMBL682252;CHEMBL681636;CHEMBL681250,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.570;  8.170;  7.620;  7.700,7.515,0.585,0.33799999999999997,4.0,7.66,0.275
-QAMANTJYKWSLNP_on_P28472_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681484;CHEMBL682252;CHEMBL681250;CHEMBL681636,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.570;  8.170;  7.700;  7.620,7.515,0.585,0.33799999999999997,4.0,7.66,0.275
-QAMANTJYKWSLNP_on_P31644_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681484,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-QAMANTJYKWSLNP_on_P34903_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-QAMANTJYKWSLNP_on_P47869_WT,Low,ChEMBL30,CHEMBL59427,Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,QAMANTJYKWSLNP,QAMANTJYKWSLNP-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3","""AuxInfo=1/0/N:1,23,10,14,17,21,11,13,18,20,7,3,2,9,16,8,6,15,5,24,12,19,26,22,25,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCSCCCCCCCNCCCCCCNCCNCCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s15;s22;s6s22;d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681250,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QANOEHVMUYBMFS_on_O00222_WT,High,ChEMBL30,CHEMBL4083240,NC(CCP(=O)(O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O,QANOEHVMUYBMFS,QANOEHVMUYBMFS-UHFFFAOYSA-N,"InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCClCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.600;  5.310,5.455,0.145,0.145,2.0,5.455,0.145
-QANOEHVMUYBMFS_on_O15303_WT,High,ChEMBL30,CHEMBL4083240,NC(CCP(=O)(O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O,QANOEHVMUYBMFS,QANOEHVMUYBMFS-UHFFFAOYSA-N,"InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCClCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-QANOEHVMUYBMFS_on_Q14831_WT,Low,ChEMBL30,CHEMBL4083240,NC(CCP(=O)(O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O,QANOEHVMUYBMFS,QANOEHVMUYBMFS-UHFFFAOYSA-N,"InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCClCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QANOEHVMUYBMFS_on_Q14833_WT,High,ChEMBL30,CHEMBL4083240,NC(CCP(=O)(O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O,QANOEHVMUYBMFS,QANOEHVMUYBMFS-UHFFFAOYSA-N,"InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCClCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.330;  5.700,5.515,0.185,0.185,2.0,5.515,0.185
-QAPNXDDYQZEKGF_on_P18507_WT,Low,ChEMBL30,CHEMBL441139,CCCCc1cnnn1-c1ccc(Br)cc1,QAPNXDDYQZEKGF,QAPNXDDYQZEKGF-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-12-9-14-15-16(12)11-7-5-10(13)6-8-11/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,15,11,16,6,13,10,5,14,7,8,9/E:(5,6)(7,8)/rA:16CCCCCCNNNCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s13;s10d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QAPNXDDYQZEKGF_on_P47869_WT,Low,ChEMBL30,CHEMBL441139,CCCCc1cnnn1-c1ccc(Br)cc1,QAPNXDDYQZEKGF,QAPNXDDYQZEKGF-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-12-9-14-15-16(12)11-7-5-10(13)6-8-11/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,15,11,16,6,13,10,5,14,7,8,9/E:(5,6)(7,8)/rA:16CCCCCCNNNCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s13;s10d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QAPNXDDYQZEKGF_on_P47870_WT,Low,ChEMBL30,CHEMBL441139,CCCCc1cnnn1-c1ccc(Br)cc1,QAPNXDDYQZEKGF,QAPNXDDYQZEKGF-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-12-9-14-15-16(12)11-7-5-10(13)6-8-11/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,12,15,11,16,6,13,10,5,14,7,8,9/E:(5,6)(7,8)/rA:16CCCCCCNNNCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;d12;s13;s13;s10d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QARCPHRGRGGQCL_on_Q14416_WT,High,ChEMBL30,CHEMBL3765257,COc1ccccc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C,QARCPHRGRGGQCL,QARCPHRGRGGQCL-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-19(2,3)12-22-15-11-10-14(20-17(15)21(4)18(22)23)13-8-6-7-9-16(13)24-5/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:22,23,24,16,1,6,5,7,4,10,11,20,8,9,12,3,13,17,21,14,15,19,18,2/E:(1,2,3)/rA:24COCCCCCCCCCCCNNCCONCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s9d13;s13;s15;s15;d17;s12s17;s19;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QARMWSBEUDGMES_on_Q13255_WT,High,ChEMBL30,CHEMBL3330807,Cc1cccc(-n2cnc3c(scc3-c3ccccc3)c2=O)c1,QARMWSBEUDGMES,QARMWSBEUDGMES-UHFFFAOYSA-N,"InChI=1S/C19H14N2OS/c1-13-6-5-9-15(10-13)21-12-20-17-16(11-23-18(17)19(21)22)14-7-3-2-4-8-14/h2-12H,1H3","""AuxInfo=1/0/N:1,18,17,19,4,3,16,20,5,23,13,8,2,15,6,14,10,11,21,9,7,22,12/E:(3,4)(7,8)/rA:23CCCCCCNCNCCSCCCCCCCCCOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s7s11;d21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QASDDSCZUCQSAM_on_P41594_WT,High,ChEMBL30,CHEMBL3702424,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,QASDDSCZUCQSAM,QASDDSCZUCQSAM-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-29-8-6-15-11-26(13-24-15)21-9-20-18-4-2-3-17(19-12-30-14-25-19)16(18)5-7-27(20)22(28)10-23-21/h2-4,9,11-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,20,18,15,4,14,3,28,10,6,23,29,25,5,16,21,17,22,27,8,11,9,30,26,7,13,12,2,24/rA:30COCCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;s22d25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-QASDDSCZUCQSAM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702424,COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,QASDDSCZUCQSAM,QASDDSCZUCQSAM-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-29-8-6-15-11-26(13-24-15)21-9-20-18-4-2-3-17(19-12-30-14-25-19)16(18)5-7-27(20)22(28)10-23-21/h2-4,9,11-14H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,19,20,18,15,4,14,3,28,10,6,23,29,25,5,16,21,17,22,27,8,11,9,30,26,7,13,12,2,24/rA:30COCCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;s24;s22d25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-QASDGGKIRNUREO_on_P41594_WT,Low,ChEMBL30,CHEMBL1783986,O=C(C1CC1)N1CCCC2(CCCCC2)C1,QASDGGKIRNUREO,QASDGGKIRNUREO-UHFFFAOYSA-N,"InChI=1S/C14H23NO/c16-13(12-5-6-12)15-10-4-9-14(11-15)7-2-1-3-8-14/h12H,1-11H2","""AuxInfo=1/0/N:13,12,14,8,4,5,11,15,9,7,16,3,2,10,6,1/E:(2,3)(5,6)(7,8)/rA:16OCCCCNCCCCCCCCCC/rB:d1;s2;s3;s3s4;s2;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s6s10;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QAXDJUNLAJMPAE_on_P14867_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-QAXDJUNLAJMPAE_on_P18507_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280;  7.420;  8.360;  6.890,7.487,0.54,0.312,4.0,7.35,0.265
-QAXDJUNLAJMPAE_on_P28472_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.420;  7.280;  6.890;  8.360,7.487,0.54,0.312,4.0,7.35,0.265
-QAXDJUNLAJMPAE_on_P31644_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-QAXDJUNLAJMPAE_on_P34903_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-QAXDJUNLAJMPAE_on_P47869_WT,Low,ChEMBL30,CHEMBL360966,c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1,QAXDJUNLAJMPAE,QAXDJUNLAJMPAE-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-2-9-22-16(3-1)11-27-21-18-14-6-4-13(5-7-14)17(18)20-24-23-19(26(20)25-21)15-8-10-28-12-15/h1-3,8-10,12-14H,4-7,11H2","""AuxInfo=1/0/N:28,1,27,23,25,22,26,15,2,14,5,12,24,21,11,4,19,20,10,18,7,3,16,17,8,9,6,13/E:(4,5)(6,7)/rA:28CCNCCOCNNCCCSCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s13;s11d14;d10;s16;s9d17;s18;s7d19;s20;s21;s22;s19s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-QBBWPKXOBZOZFR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606092,OCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCO)c2,QBBWPKXOBZOZFR,QBBWPKXOBZOZFR-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2/q+2","""AuxInfo=1/0/N:21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,17,25,5,36,3,38,2,39,9,41,10,32,8,33,11,27,7,34,4,37,16,26,1,40/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41OCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.550;  6.130,5.84,0.29,0.29,2.0,5.84,0.29
-QBBWPKXOBZOZFR_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606092,OCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCO)c2,QBBWPKXOBZOZFR,QBBWPKXOBZOZFR-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2/q+2","""AuxInfo=1/0/N:21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,17,25,5,36,3,38,2,39,9,41,10,32,8,33,11,27,7,34,4,37,16,26,1,40/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41OCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-QBBWPKXOBZOZFR_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606092,OCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCO)c2,QBBWPKXOBZOZFR,QBBWPKXOBZOZFR-UHFFFAOYSA-N,"InChI=1S/C35H42N4O2/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2/q+2","""AuxInfo=1/0/N:21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,17,25,5,36,3,38,2,39,9,41,10,32,8,33,11,27,7,34,4,37,16,26,1,40/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:36+1,37+1/rA:41OCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QBGJXSOFTRVLIT_on_O15399_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_O60391_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_Q05586_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_Q12879_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_Q13224_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBGJXSOFTRVLIT_on_Q14957_WT,Low,ChEMBL30,CHEMBL65954,Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1,QBGJXSOFTRVLIT,QBGJXSOFTRVLIT-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2","""AuxInfo=1/0/N:19,18,20,17,21,4,24,3,25,12,22,11,23,6,15,9,5,16,2,7,13,10,1,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCOCNCCCOCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-QBHIOYZCUZBIEN_on_O00222_WT,High,ExCAPE-DB;ChEMBL30,10198133;CHEMBL8839,NC1(C(=O)O)CSC2C(C(=O)O)C21,QBHIOYZCUZBIEN,QBHIOYZCUZBIEN-UHFFFAOYSA-N,"InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCSCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:275491;CHEMBL912291,PMID:10090786,1999.0,PubChemAID:275491;PMID:17228865,2010;2007,0,0;1,0,0,1;0,,=,  5.134;  5.130,5.132000000000001,0.002,0.002,2.0,5.132000000000001,0.002
-QBHIOYZCUZBIEN_on_O15303_WT,Medium,ChEMBL30,CHEMBL88999;CHEMBL8839,NC1(C(=O)O)CSC2C(C(=O)O)C21,QBHIOYZCUZBIEN,QBHIOYZCUZBIEN-UHFFFAOYSA-N,"InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCSCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130;CHEMBL819438,PMID:10090786,1999.0,PMID:10893301;PMID:10090786,2000;1999,0,0;1,0,1;0,0,,=,  5.620;  5.610,5.615,0.005,0.005,2.0,5.615,0.005
-QBHIOYZCUZBIEN_on_Q14416_WT,High,ChEMBL30,CHEMBL8839,NC1(C(=O)O)CSC2C(C(=O)O)C21,QBHIOYZCUZBIEN,QBHIOYZCUZBIEN-UHFFFAOYSA-N,"InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCSCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL910519;CHEMBL910533,PMID:10090786,1999.0,PMID:17228865,2007,0,0;1,0,1;0,0,,=,  7.390;  8.410,7.9,0.51,0.51,2.0,7.9,0.51
-QBHIOYZCUZBIEN_on_Q14832_WT,High,ChEMBL30,CHEMBL8839,NC1(C(=O)O)CSC2C(C(=O)O)C21,QBHIOYZCUZBIEN,QBHIOYZCUZBIEN-UHFFFAOYSA-N,"InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCSCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL910532;CHEMBL907027,PMID:10090786,1999.0,PMID:17228865,2007,0,0;1,0,1;0,0,,=,  8.330;  8.120,8.225,0.105,0.105,2.0,8.225,0.105
-QBILFZCOIZVHFJ_on_O15399_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_O60391_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBILFZCOIZVHFJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL12804,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1,QBILFZCOIZVHFJ,QBILFZCOIZVHFJ-UHFFFAOYSA-N,"InChI=1S/C9H8FN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCFC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QBLCZSCCANEYNU_on_P41594_WT,Low,ChEMBL30,CHEMBL205046,CC(=O)N(c1ccc(Cl)cc1)c1ccnc(-c2ccccn2)n1,QBLCZSCCANEYNU,QBLCZSCCANEYNU-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4O/c1-12(23)22(14-7-5-13(18)6-8-14)16-9-11-20-17(21-16)15-4-2-3-10-19-15/h2-11H,1H3","""AuxInfo=1/0/N:1,19,20,18,7,10,6,11,13,21,14,2,8,5,17,12,16,9,22,15,23,4,3/E:(5,6)(7,8)/rA:23CCONCCCCClCCCCCNCCCCCCNN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QBNUYXSVCXHBNL_on_Q13255_WT,High,ChEMBL30,CHEMBL3758942,Cn1cccc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1,QBNUYXSVCXHBNL,QBNUYXSVCXHBNL-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3/c1-23-10-4-7-17(23)18(25)22-12-8-9-16(15(21)11-12)24-19(26)13-5-2-3-6-14(13)20(24)27/h2-11H,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,21,4,19,22,5,11,12,3,27,10,18,17,25,13,6,7,23,15,26,9,2,14,8,24,16/E:(2,3)(5,6)(13,14)(19,20)(26,27)/rA:27CNCCCCCONCCCCNCOCCCCCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.280;  5.280,5.28,0.0,0.0,2.0,5.28,0.0
-QBPZOMXQDOXIOW_on_Q14833_WT,High,ChEMBL30,CHEMBL3798583,CC1c2c(cccc2)C(=O)N1c1c(Cl)cc(NC(=O)c2c(N)cccn2)cc1,QBPZOMXQDOXIOW,QBPZOMXQDOXIOW-UHFFFAOYSA-N,"InChI=1S/C21H17ClN4O2/c1-12-14-5-2-3-6-15(14)21(28)26(12)18-9-8-13(11-16(18)22)25-20(27)19-17(23)7-4-10-24-19/h2-12H,23H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,7,6,24,8,5,23,27,28,25,15,2,16,3,4,13,21,12,20,18,9,14,22,26,17,11,19,10/rA:28CCCCCCCCCONCCClCCNCOCCNCCCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;d12;s13;s13;d15;s16;s17;d18;s18;d20;s21;s21;d23;s24;s20d25;s16;s12d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  5.400;  8.400,6.9,1.5,1.5,2.0,6.9,1.5
-QBPZYDZCMILWTJ_on_Q14833_WT,High,ChEMBL30,CHEMBL1922756,O=C(COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1,QBPZYDZCMILWTJ,QBPZYDZCMILWTJ-UHFFFAOYSA-N,"InChI=1S/C14H9ClF3NO2/c15-13-6-1-9(7-19-13)12(20)8-21-11-4-2-10(3-5-11)14(16,17)18/h1-7H,8H2","""AuxInfo=1/0/N:16,7,13,6,14,17,21,3,15,8,5,2,18,9,19,10,11,12,20,1,4/E:(2,3)(4,5)(16,17,18)/rA:21OCCOCCCCCFFFCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s9;s9;s8;s5d13;s2;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-QBTSXTDROCIJQE_on_Q13255_WT,High,ChEMBL30,CHEMBL3785382,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Br)C3=O)cc2)occ1,QBTSXTDROCIJQE,QBTSXTDROCIJQE-UHFFFAOYSA-N,"InChI=1S/C20H14BrClN2O3/c1-11-7-8-27-18(11)19(25)23-12-5-6-17(16(22)9-12)24-10-14-13(20(24)26)3-2-4-15(14)21/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,24,23,27,26,8,13,2,7,15,14,19,9,11,3,4,21,20,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCBrCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.410;  6.410,6.41,0.0,0.0,2.0,6.41,0.0
-QBTUIJGYKAOREZ_on_Q14416_WT,High,ChEMBL30,CHEMBL3337515,N#Cc1c(N2CCC(c3ccc(F)cc3)CC2)ccn(CC2CC2)c1=O,QBTUIJGYKAOREZ,QBTUIJGYKAOREZ-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2","""AuxInfo=1/0/N:23,24,10,15,11,14,7,16,18,6,17,19,2,21,22,9,8,12,3,4,25,13,1,5,20,26/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:26NCCCNCCCCCCCFCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;s4;d18;s19;s20;s21;s22;s22s23;s3s20;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-QBWJMTOHSYOPBE_on_P14867_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.720;  7.720,7.72,0.0,0.0,2.0,7.72,0.0
-QBWJMTOHSYOPBE_on_P18507_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823916;CHEMBL685338;CHEMBL683047;CHEMBL824296;CHEMBL822165;CHEMBL681480;CHEMBL682251;CHEMBL683045;CHEMBL681248;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.040;  8.140;  6.580;  7.250;  7.720;  8.140;  7.040;  6.580;  7.250;  7.720,7.346,0.54,0.18,10.0,7.25,0.47
-QBWJMTOHSYOPBE_on_P28472_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL683045;CHEMBL681248;CHEMBL683047;CHEMBL685338;CHEMBL822165;CHEMBL823916;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.720;  8.140;  7.040;  6.580;  7.250;  6.580;  8.140;  7.720;  7.040;  7.250,7.346,0.54,0.18,10.0,7.25,0.47
-QBWJMTOHSYOPBE_on_P31644_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.140;  8.140,8.14,0.0,0.0,2.0,8.14,0.0
-QBWJMTOHSYOPBE_on_P34903_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.040;  7.040,7.04,0.0,0.0,2.0,7.04,0.0
-QBWJMTOHSYOPBE_on_P47869_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.250;  7.250,7.25,0.0,0.0,2.0,7.25,0.0
-QBWJMTOHSYOPBE_on_Q16445_WT,Low,ChEMBL30,CHEMBL337166,C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21,QBWJMTOHSYOPBE,QBWJMTOHSYOPBE-UHFFFAOYSA-N,"InChI=1S/C18H13N5O2/c1-3-11-4-5-13-12(8-11)18(24)22-7-6-14(22)16-15(19-9-23(13)16)17-20-10(2)21-25-17/h1,4-5,8-9,14H,6-7H2,2H3","""AuxInfo=1/0/N:1,20,2,4,5,13,12,8,24,19,3,7,6,14,16,15,17,9,23,18,21,11,25,10,22/rA:25CCCCCCCCCONCCCCCCNCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s11s13;s14;d15;s16;d17;s18;s19;d19;s17s21;s16;d23;s6s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.580;  6.580,6.58,0.0,0.0,2.0,6.58,0.0
-QBYJJUVRVSZXBY_on_Q12879_WT,Low,ChEMBL30,CHEMBL151901,Nc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,QBYJJUVRVSZXBY,QBYJJUVRVSZXBY-UHFFFAOYSA-N,"InChI=1S/C16H23N5S/c17-15-18-16(20-19-15)22-11-10-21-8-6-14(7-9-21)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H3,17,18,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,22,3,4,9,6/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QBYJJUVRVSZXBY_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151901,Nc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,QBYJJUVRVSZXBY,QBYJJUVRVSZXBY-UHFFFAOYSA-N,"InChI=1S/C16H23N5S/c17-15-18-16(20-19-15)22-11-10-21-8-6-14(7-9-21)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H3,17,18,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,22,3,4,9,6/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QBYJJUVRVSZXBY_on_Q14957_WT,Low,ChEMBL30,CHEMBL151901,Nc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1,QBYJJUVRVSZXBY,QBYJJUVRVSZXBY-UHFFFAOYSA-N,"InChI=1S/C16H23N5S/c17-15-18-16(20-19-15)22-11-10-21-8-6-14(7-9-21)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H3,17,18,19,20)","""AuxInfo=1/1/N:17,16,18,15,19,11,20,10,21,8,7,13,14,12,2,5,1,22,3,4,9,6/E:(2,3)(4,5)(6,7)(8,9)/rA:22NCNNCSCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QBYZDDIMNITMSB_on_P14867_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-QBYZDDIMNITMSB_on_P18507_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677034;CHEMBL682709;CHEMBL680432;CHEMBL681632,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.380;  8.460;  8.800;  9.120,8.69,0.294,0.17,4.0,8.63,0.21
-QBYZDDIMNITMSB_on_P28472_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL680432;CHEMBL682709;CHEMBL681632,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.380;  8.800;  8.460;  9.120,8.69,0.294,0.17,4.0,8.63,0.21
-QBYZDDIMNITMSB_on_P31644_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681632,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.120,9.12,0.0,0.0,1.0,9.12,0.0
-QBYZDDIMNITMSB_on_P34903_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-QBYZDDIMNITMSB_on_P47869_WT,Low,ChEMBL30,CHEMBL122154,Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1,QBYZDDIMNITMSB,QBYZDDIMNITMSB-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3","""AuxInfo=1/0/N:1,13,12,22,21,23,14,11,20,3,17,2,18,9,10,4,8,5,15,19,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-QCDKBYHARZQRIV_on_P14867_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-QCDKBYHARZQRIV_on_P18507_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677847;CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.520;  6.010;  5.820,6.117000000000001,0.29600000000000004,0.209,3.0,6.01,0.19
-QCDKBYHARZQRIV_on_P28472_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.010;  5.820,5.915,0.095,0.095,2.0,5.915,0.095
-QCDKBYHARZQRIV_on_P34903_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-QCDKBYHARZQRIV_on_P47869_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-QCDKBYHARZQRIV_on_P47870_WT,Low,ChEMBL30,CHEMBL287442,O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12,QCDKBYHARZQRIV,QCDKBYHARZQRIV-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3/c27-21(19-14-24-20-11-5-4-10-18(19)20)23(29)26-12-6-9-17(15-26)22(28)25-13-16-7-2-1-3-8-16/h1-5,7-8,10-11,14,17,24H,6,9,12-13,15H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,27,26,7,15,19,8,28,25,6,13,22,20,14,9,29,21,24,2,10,3,23,12,5,1,11,4/E:(2,3)(7,8)/rA:29OCCONCCCCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-QCGAQTREEQRIAM_on_P14867_WT,Medium,ChEMBL30,CHEMBL146317,COc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,QCGAQTREEQRIAM,QCGAQTREEQRIAM-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,23,22,24,21,5,30,4,31,11,10,14,25,6,3,18,13,19,12,17,15,7,27,20,16,29,9,26,8,28,2/E:(6,7)(8,9)/rA:31COCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;d17;s15s25;s26;s27;s12d27;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-QCGAQTREEQRIAM_on_P31644_WT,Medium,ChEMBL30,CHEMBL146317,COc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,QCGAQTREEQRIAM,QCGAQTREEQRIAM-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,23,22,24,21,5,30,4,31,11,10,14,25,6,3,18,13,19,12,17,15,7,27,20,16,29,9,26,8,28,2/E:(6,7)(8,9)/rA:31COCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;d17;s15s25;s26;s27;s12d27;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-QCGAQTREEQRIAM_on_P34903_WT,Medium,ChEMBL30,CHEMBL146317,COc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,QCGAQTREEQRIAM,QCGAQTREEQRIAM-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,23,22,24,21,5,30,4,31,11,10,14,25,6,3,18,13,19,12,17,15,7,27,20,16,29,9,26,8,28,2/E:(6,7)(8,9)/rA:31COCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;d17;s15s25;s26;s27;s12d27;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-QCGAQTREEQRIAM_on_P47869_WT,Medium,ChEMBL30,CHEMBL146317,COc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1,QCGAQTREEQRIAM,QCGAQTREEQRIAM-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,23,22,24,21,5,30,4,31,11,10,14,25,6,3,18,13,19,12,17,15,7,27,20,16,29,9,26,8,28,2/E:(6,7)(8,9)/rA:31COCCCCCONCCCCCCNCCCFCCCCCNCONCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;d12;s9s13;s13;d15;s16;s17;d18;s19;s19;d21;s22;s18d23;d17;s15s25;s26;s27;s12d27;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-QCGXSMUBEQLLQZ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3940968,CC(C)c1c(S(=O)(=O)Cc2ccccc2F)sc(NC(=O)c2ccccn2)n1,QCGXSMUBEQLLQZ,QCGXSMUBEQLLQZ-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O3S2/c1-12(2)16-18(28(25,26)11-13-7-3-4-8-14(13)20)27-19(22-16)23-17(24)15-9-5-6-10-21-15/h3-10,12H,11H2,1-2H3,(H,22,23,24)","""AuxInfo=1/1/N:1,3,12,13,24,25,11,14,23,26,9,2,10,15,22,4,20,5,18,16,27,28,19,21,7,8,17,6/E:(1,2)(25,26)/CRV:28.6/rA:28CCCCCSOOCCCCCCCFSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;d12;s13;s10d14;s15;s5;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s4d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-QCGXUWGPNKBOKN_on_Q13255_WT,High,ExCAPE-DB,11772069,CCn1cc2cc(-c3c(C)n(-c4c(F)nccc4)nn3)ccc2c1O,QCGXUWGPNKBOKN,QCGXUWGPNKBOKN-UHFFFAOYSA-N,"InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-10,25H,3H2,1-2H3","""AuxInfo=1/0/N:1,10,2,17,18,21,22,16,6,4,9,7,5,23,12,8,13,24,14,15,20,19,3,11,25/rA:25CCNCCCCCCCNCCFNCCCNNCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s11;d12;s13;s13;d15;s16;s12d17;s11;s8d19;s7;d21;s5s22;s3d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923,PubChemAID:446923,2010.0,PubChemAID:446923,2010,0,0,0,0,1,,=,  8.481,8.481,0.0,0.0,1.0,8.481,0.0
-QCHBQARHFYCDNV_on_O00591_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_O14764_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_P14867_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.750;  7.800,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P18505_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.750;  7.800,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P18507_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_P28472_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.800;  6.750,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P31644_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.800;  6.750,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P34903_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.800;  6.750,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P47869_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.800;  6.750,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P47870_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.750;  7.800,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P48169_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.800;  6.750,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_P78334_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCHBQARHFYCDNV_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  6.750;  7.800,7.275,0.525,0.525,2.0,7.275,0.525
-QCHBQARHFYCDNV_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427543,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1,QCHBQARHFYCDNV,QCHBQARHFYCDNV-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,23,4,13,24,32,26,21,19,7,22,6,11,10,31,16,27,17,2,14,25,28,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNCCCCNCCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;d23;s24;d25;s22s26;s20d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QCILNSKJADMOQI_on_P14867_WT,Low,ChEMBL30,CHEMBL432623,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)F)cc1,QCILNSKJADMOQI,QCILNSKJADMOQI-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,23H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,4,15,18,7,3,6,12,2,20,21,22,5,13,14,1,19/E:(5,6)(7,8)(18,19)/rA:24OCCCNCCCCCCCNNCCCCOCFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QCILNSKJADMOQI_on_P18507_WT,Low,ChEMBL30,CHEMBL432623,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)F)cc1,QCILNSKJADMOQI,QCILNSKJADMOQI-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,23H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,4,15,18,7,3,6,12,2,20,21,22,5,13,14,1,19/E:(5,6)(7,8)(18,19)/rA:24OCCCNCCCCCCCNNCCCCOCFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.000;  8.650,8.825,0.175,0.175,2.0,8.825,0.175
-QCILNSKJADMOQI_on_P28472_WT,Low,ChEMBL30,CHEMBL432623,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)F)cc1,QCILNSKJADMOQI,QCILNSKJADMOQI-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,23H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,4,15,18,7,3,6,12,2,20,21,22,5,13,14,1,19/E:(5,6)(7,8)(18,19)/rA:24OCCCNCCCCCCCNNCCCCOCFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.650;  9.000,8.825,0.175,0.175,2.0,8.825,0.175
-QCILNSKJADMOQI_on_P34903_WT,Low,ChEMBL30,CHEMBL432623,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)F)cc1,QCILNSKJADMOQI,QCILNSKJADMOQI-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,23H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,4,15,18,7,3,6,12,2,20,21,22,5,13,14,1,19/E:(5,6)(7,8)(18,19)/rA:24OCCCNCCCCCCCNNCCCCOCFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.650,8.65,0.0,0.0,1.0,8.65,0.0
-QCMGTWAXBGKYPQ_on_P31644_WT,High,ChEMBL30,CHEMBL3686272,O=C(NC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1,QCMGTWAXBGKYPQ,QCMGTWAXBGKYPQ-UHFFFAOYSA-N,"InChI=1S/C18H16N4O3/c23-18(21-14-5-6-14)12-4-7-16(20-9-12)24-10-13-11-25-22-17(13)15-3-1-2-8-19-15/h1-4,7-9,11,14H,5-6,10H2,(H,21,23)","""AuxInfo=1/1/N:20,21,19,8,5,6,9,22,25,12,14,7,13,4,18,10,17,2,23,24,3,16,1,11,15/E:(5,6)/rA:25OCNCCCCCCCOCCCONCCCCCCNNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s18d22;s10;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QCMQLUNTDWCTCG_on_O00591_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_O14764_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P14867_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P18505_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P18507_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P28472_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P31644_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P34903_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P47869_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P47870_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P48169_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_P78334_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_Q16445_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCMQLUNTDWCTCG_on_Q99928_WT,Low,ChEMBL30,CHEMBL358763,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12,QCMQLUNTDWCTCG,QCMQLUNTDWCTCG-UHFFFAOYSA-N,"InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)","""AuxInfo=1/1/N:21,20,22,19,12,11,6,4,16,5,23,15,18,9,7,13,2,17,3,10,8,14,1/rA:23OCNCCCCOCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-QCNXINIQJHEAHO_on_P14867_WT,Low,ChEMBL30,CHEMBL325158,Oc1c2C=NC3CCN(CC4CC4)CC3c2nn1-c1ccc(Cl)cc1,QCNXINIQJHEAHO,QCNXINIQJHEAHO-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,25H,1-2,7-8,10-11H2","""AuxInfo=1/0/N:12,13,21,24,20,25,7,8,4,10,14,11,22,19,3,15,6,16,2,23,5,17,9,18,1/E:(1,2)(3,4)(5,6)/rA:25OCCCNCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s11;s11s12;s9;s6s14;s3s15;d16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-QCNXINIQJHEAHO_on_P18507_WT,Low,ChEMBL30,CHEMBL325158,Oc1c2C=NC3CCN(CC4CC4)CC3c2nn1-c1ccc(Cl)cc1,QCNXINIQJHEAHO,QCNXINIQJHEAHO-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,25H,1-2,7-8,10-11H2","""AuxInfo=1/0/N:12,13,21,24,20,25,7,8,4,10,14,11,22,19,3,15,6,16,2,23,5,17,9,18,1/E:(1,2)(3,4)(5,6)/rA:25OCCCNCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s11;s11s12;s9;s6s14;s3s15;d16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.130;  9.350,8.74,0.61,0.61,2.0,8.74,0.61
-QCNXINIQJHEAHO_on_P28472_WT,Low,ChEMBL30,CHEMBL325158,Oc1c2C=NC3CCN(CC4CC4)CC3c2nn1-c1ccc(Cl)cc1,QCNXINIQJHEAHO,QCNXINIQJHEAHO-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,25H,1-2,7-8,10-11H2","""AuxInfo=1/0/N:12,13,21,24,20,25,7,8,4,10,14,11,22,19,3,15,6,16,2,23,5,17,9,18,1/E:(1,2)(3,4)(5,6)/rA:25OCCCNCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s11;s11s12;s9;s6s14;s3s15;d16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.350;  8.130,8.74,0.61,0.61,2.0,8.74,0.61
-QCNXINIQJHEAHO_on_P34903_WT,Low,ChEMBL30,CHEMBL325158,Oc1c2C=NC3CCN(CC4CC4)CC3c2nn1-c1ccc(Cl)cc1,QCNXINIQJHEAHO,QCNXINIQJHEAHO-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,25H,1-2,7-8,10-11H2","""AuxInfo=1/0/N:12,13,21,24,20,25,7,8,4,10,14,11,22,19,3,15,6,16,2,23,5,17,9,18,1/E:(1,2)(3,4)(5,6)/rA:25OCCCNCCCNCCCCCCCNNCCCCClCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s10;s11;s11s12;s9;s6s14;s3s15;d16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-QCOFSGDFRQUSER_on_P41594_WT,Medium,ChEMBL30,CHEMBL363446,COc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,QCOFSGDFRQUSER,QCOFSGDFRQUSER-UHFFFAOYSA-N,"InChI=1S/C19H14FN5O/c1-26-18-8-3-2-6-16(18)13-10-14(20)12-15(11-13)25-23-19(22-24-25)17-7-4-5-9-21-17/h2-12H,1H3","""AuxInfo=1/0/N:1,24,25,19,18,23,20,26,17,6,22,9,5,7,10,4,15,3,14,8,16,13,21,12,11,2/rA:26COCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s5d10;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-QCOQOSHDIPGAQG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3967243,O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)c(F)c2)nc1)c1ccccn1,QCOQOSHDIPGAQG,QCOQOSHDIPGAQG-UHFFFAOYSA-N,"InChI=1S/C15H10ClFN4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,11,12,24,17,19,5,4,10,13,15,20,2,14,16,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCClCFCNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s15;s10d15;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-QCQSTOYKSWTFNN_on_P14867_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-QCQSTOYKSWTFNN_on_P18507_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.140;  7.380;  8.890;  7.640,7.763,0.675,0.389,4.0,7.51,0.25
-QCQSTOYKSWTFNN_on_P28472_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.140;  8.890;  7.380;  7.640,7.763,0.675,0.389,4.0,7.51,0.25
-QCQSTOYKSWTFNN_on_P31644_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-QCQSTOYKSWTFNN_on_P34903_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QCQSTOYKSWTFNN_on_P47869_WT,Low,ChEMBL30,CHEMBL362409,Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QCQSTOYKSWTFNN,QCQSTOYKSWTFNN-UHFFFAOYSA-N,"InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2","""AuxInfo=1/0/N:15,14,16,13,17,25,27,24,28,29,30,6,26,23,12,5,2,21,22,11,20,8,1,4,3,18,19,9,10,7/E:(2,3)(4,5)(6,7)(8,9)/rA:30ClCNNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QCQWVVNWUYVAGV_on_P14867_WT,Low,ChEMBL30,CHEMBL1193215,COc1c(OC(=O)C(C)N2CCOCC2)c(OC)ccc1,QCQWVVNWUYVAGV,QCQWVVNWUYVAGV-UHFFFAOYSA-N,"InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3","""AuxInfo=1/0/N:9,1,18,20,21,19,11,15,12,14,8,3,16,4,6,10,7,2,17,13,5/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/rA:21COCCOCOCCNCCOCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;s13;s10s14;s4;s16;s17;d16;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  3.703,3.7030000000000003,0.0,0.0,1.0,3.7030000000000003,0.0
-QCQWVVNWUYVAGV_on_P18507_WT,Low,ChEMBL30,CHEMBL1193215,COc1c(OC(=O)C(C)N2CCOCC2)c(OC)ccc1,QCQWVVNWUYVAGV,QCQWVVNWUYVAGV-UHFFFAOYSA-N,"InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3","""AuxInfo=1/0/N:9,1,18,20,21,19,11,15,12,14,8,3,16,4,6,10,7,2,17,13,5/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/rA:21COCCOCOCCNCCOCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;s13;s10s14;s4;s16;s17;d16;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  3.703,3.7030000000000003,0.0,0.0,1.0,3.7030000000000003,0.0
-QCQWVVNWUYVAGV_on_P28472_WT,Low,ChEMBL30,CHEMBL1193215,COc1c(OC(=O)C(C)N2CCOCC2)c(OC)ccc1,QCQWVVNWUYVAGV,QCQWVVNWUYVAGV-UHFFFAOYSA-N,"InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3","""AuxInfo=1/0/N:9,1,18,20,21,19,11,15,12,14,8,3,16,4,6,10,7,2,17,13,5/E:(2,3)(5,6)(7,8)(9,10)(12,13)(18,19)/rA:21COCCOCOCCNCCOCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s8;s10;s11;s12;s13;s10s14;s4;s16;s17;d16;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682645,PMID:11606122,2001.0,PMID:11606122,2001,0,1,0,0,0,,=,  3.703,3.7030000000000003,0.0,0.0,1.0,3.7030000000000003,0.0
-QCSFXCHHKYXLHE_on_O00591_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_O14764_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P14867_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P18505_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P18507_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P28472_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P31644_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P34903_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P47869_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P47870_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P48169_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_P78334_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_Q16445_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCSFXCHHKYXLHE_on_Q99928_WT,Low,ChEMBL30,CHEMBL56398,O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2,QCSFXCHHKYXLHE,QCSFXCHHKYXLHE-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H,"""AuxInfo=1/0/N:10,9,11,8,18,19,15,3,16,5,14,6,2,13,4,17,7,1,12/rA:19OCCCCCFCCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QCWZOTRWEBIEOH_on_P31644_WT,High,ChEMBL30,CHEMBL3676450,Cc1c(CNc2ccc(C(=O)N3CC4CC(C3)O4)cn2)c(-c2ccc(F)cc2)no1,QCWZOTRWEBIEOH,QCWZOTRWEBIEOH-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3/c1-13-19(21(26-30-13)14-2-5-16(23)6-3-14)10-25-20-7-4-15(9-24-20)22(28)27-11-17-8-18(12-27)29-17/h2-7,9,17-18H,8,10-12H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,23,28,8,24,27,7,15,19,4,13,17,2,22,9,25,14,16,3,6,21,10,26,20,5,29,12,11,18,30/E:(2,3)(5,6)(11,12)(17,18)/rA:30CCCCNCCCCCONCCCCCOCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s14s16;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-QCZDZJMNUSTUDB_on_P31644_WT,High,ChEMBL30,CHEMBL3681627,CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(OCc3conc3-c3ccc(Cl)cc3)nc2)C1,QCZDZJMNUSTUDB,QCZDZJMNUSTUDB-UHFFFAOYSA-N,"InChI=1S/C24H25ClN4O5/c1-24(2,3)34-23(31)29-11-19(12-29)27-22(30)16-6-9-20(26-10-16)32-13-17-14-33-28-21(17)15-4-7-18(25)8-5-15/h4-10,14,19H,11-13H2,1-3H3,(H,27,30)","""AuxInfo=1/1/N:1,3,4,26,31,15,27,30,16,33,9,34,19,21,25,14,20,28,10,17,24,12,6,2,29,32,11,23,8,13,7,18,22,5/E:(1,2,3)(4,5)(7,8)(11,12)/rA:34CCCCOCONCCNCOCCCCOCCCONCCCCCClCCNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s12;d14;s15;d16;s17;s18;s19;d20;s21;s22;s20d23;s24;d25;s26;d27;s28;s28;s25d30;s17;s14d32;s8s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-QDDMZQCENBRXHC_on_Q13255_WT,High,ChEMBL30,CHEMBL3634417,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2)occ1,QDDMZQCENBRXHC,QDDMZQCENBRXHC-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,24,9,23,27,26,2,7,10,14,18,15,3,4,12,16,19,6,11,5,13,17,25/E:(5,6)(7,8)/rA:27CCCCONCCCCNCOCCCOCFCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-QDDMZQCENBRXHC_on_Q14833_WT,High,ChEMBL30,CHEMBL3634417,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2)occ1,QDDMZQCENBRXHC,QDDMZQCENBRXHC-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,24,9,23,27,26,2,7,10,14,18,15,3,4,12,16,19,6,11,5,13,17,25/E:(5,6)(7,8)/rA:27CCCCONCCCCNCOCCCOCFCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-QDIYOEYPJWXMRN_on_P41594_WT,High,ChEMBL30,CHEMBL4063837,CC(C)(C)CC1COCc2nc(OCc3ccccn3)cc(=O)n21,QDIYOEYPJWXMRN,QDIYOEYPJWXMRN-UHFFFAOYSA-N,"InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,18,16,19,21,5,14,7,9,15,6,10,12,22,2,20,11,24,23,8,13/E:(1,2,3)/rA:24CCCCCCCOCCNCOCCCCCCNCCON/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s21;d22;s6s10s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-QDJCRGRXYWUJKB_on_P41594_WT,High,ChEMBL30,CHEMBL3702400,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccn4)C3=C2)ccn1,QDJCRGRXYWUJKB,QDJCRGRXYWUJKB-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3","""AuxInfo=1/0/N:1,22,23,17,18,16,21,28,13,24,29,12,4,27,8,5,14,19,15,20,6,26,3,9,25,30,7,11,10,2/rA:30COCCCCNCCONCCCCCCCCCCCCCNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-QDJCRGRXYWUJKB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702400,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccn4)C3=C2)ccn1,QDJCRGRXYWUJKB,QDJCRGRXYWUJKB-UHFFFAOYSA-N,"InChI=1S/C24H20N4O2/c1-30-23-13-16(8-11-26-23)21-14-22-19-6-4-5-18(20-7-2-3-10-25-20)17(19)9-12-28(22)24(29)15-27-21/h2-8,10-11,13-14H,9,12,15H2,1H3","""AuxInfo=1/0/N:1,22,23,17,18,16,21,28,13,24,29,12,4,27,8,5,14,19,15,20,6,26,3,9,25,30,7,11,10,2/rA:30COCCCCNCCONCCCCCCCCCCCCCNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QDJRENYUDYVFRP_on_P31644_WT,High,ChEMBL30,CHEMBL3676543,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2cccc(F)c2)no1,QDJRENYUDYVFRP,QDJRENYUDYVFRP-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c1-14-18(20(24-29-14)15-3-2-4-17(22)11-15)13-28-19-6-5-16(12-23-19)21(26)25-7-9-27-10-8-25/h2-6,11-12H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,23,22,24,8,7,13,17,14,16,27,18,4,2,21,9,25,3,6,20,10,26,19,28,12,11,15,5,29/E:(7,8)(9,10)/rA:29CCCCOCCCCCONCCOCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s25;s21d25;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-QDMJQFCGLZAQPO_on_P41594_WT,High,ChEMBL30,CHEMBL4088680,O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1,QDMJQFCGLZAQPO,QDMJQFCGLZAQPO-UHFFFAOYSA-N,"InChI=1S/C21H11F4NO2S/c22-13-3-1-2-12(6-13)21-18-5-4-14(23)10-19(18)26-11-20(21)29(27,28)17-8-15(24)7-16(25)9-17/h1-11H","""AuxInfo=1/0/N:25,24,26,19,20,29,8,5,11,16,13,23,27,17,6,9,4,21,15,12,22,28,18,7,10,14,1,3,2/E:(8,9)(15,16)(24,25)(27,28)/CRV:29.6/rA:29OSOCCCFCCFCCCNCCCFCCCCCCCCCFC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s27;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-QDOWQPQWJXJCRA_on_O15399_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_O60391_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_Q05586_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_Q12879_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_Q13224_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDOWQPQWJXJCRA_on_Q14957_WT,Low,ChEMBL30,CHEMBL168650,Nc1cccc(N2CCc3c(cccc3)C2)n1,QDOWQPQWJXJCRA,QDOWQPQWJXJCRA-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2,(H2,15,16)","""AuxInfo=1/1/N:14,13,4,15,12,3,5,9,8,16,10,11,2,6,1,17,7/rA:17NCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7s11;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-QDPPZHPTDMQNBE_on_P14867_WT,Low,ChEMBL30,CHEMBL111084,CCc1c(N=C=S)c(CC)ccc1,QDPPZHPTDMQNBE,QDPPZHPTDMQNBE-UHFFFAOYSA-N,"InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCSCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.500;  4.800,4.15,0.65,0.65,2.0,4.15,0.65
-QDPPZHPTDMQNBE_on_P18507_WT,Low,ChEMBL30,CHEMBL111084,CCc1c(N=C=S)c(CC)ccc1,QDPPZHPTDMQNBE,QDPPZHPTDMQNBE-UHFFFAOYSA-N,"InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCSCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.800;  3.500,4.15,0.65,0.65,2.0,4.15,0.65
-QDPPZHPTDMQNBE_on_P47870_WT,Low,ChEMBL30,CHEMBL111084,CCc1c(N=C=S)c(CC)ccc1,QDPPZHPTDMQNBE,QDPPZHPTDMQNBE-UHFFFAOYSA-N,"InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,10,2,9,12,13,11,6,3,8,4,5,7/E:(1,2)(3,4)(6,7)(9,10)/rA:13CCCCNCSCCCCCC/rB:s1;s2;d3;s4;d5;d6;s4;s8;s9;d8;s11;s3d12;/rC:;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.800;  3.500,4.15,0.65,0.65,2.0,4.15,0.65
-QDPURENXXNBHQC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3899951,CC1(C)CCN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1,QDPURENXXNBHQC,QDPURENXXNBHQC-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O/c1-19(2)7-8-24(17(25)10-19)18-22-11-13(12-23-18)3-4-14-9-15(20)5-6-16(14)21/h5-6,9,11-12H,7-8,10H2,1-2H3","""AuxInfo=1/0/N:1,3,11,12,17,18,4,5,14,25,9,21,10,13,15,19,23,7,2,16,20,8,22,6,24/E:(1,2)(11,12)(22,23)/rA:25CCCCCNCNCCCCCCCFCCCFCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;s15;d15;s17;s13d18;s19;s10;s7d21;s6;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-QDQLHDJCSXWHHL_on_P41594_WT,High,ChEMBL30,CHEMBL204950,FC(F)(F)c1cc(Sc2ccnc(-c3ccccn3)n2)ccc1,QDQLHDJCSXWHHL,QDQLHDJCSXWHHL-UHFFFAOYSA-N,"InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H","""AuxInfo=1/0/N:16,17,22,23,21,15,10,18,11,6,5,7,14,9,13,2,1,3,4,19,12,20,8/E:(17,18,19)/rA:23FCFFCCCSCCCNCCCCCCNNCCC/rB:s1;s2;s2;s2;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s9d13;d7;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-QDTRLCVOWWXYMA_on_O00222_WT,Low,ChEMBL30,CHEMBL293434,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2-c2ccccc2)C1,QDTRLCVOWWXYMA,QDTRLCVOWWXYMA-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:22,21,23,15,16,20,24,14,17,6,12,25,19,13,18,7,8,3,2,1,11,9,10,4,5/E:(2,3)(6,7)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-QDTRLCVOWWXYMA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL293434,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2-c2ccccc2)C1,QDTRLCVOWWXYMA,QDTRLCVOWWXYMA-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:22,21,23,15,16,20,24,14,17,6,12,25,19,13,18,7,8,3,2,1,11,9,10,4,5/E:(2,3)(6,7)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.440,4.44,0.0,0.0,1.0,4.44,0.0
-QDTRLCVOWWXYMA_on_Q14832_WT,Medium,ChEMBL30,CHEMBL293434,NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2-c2ccccc2)C1,QDTRLCVOWWXYMA,QDTRLCVOWWXYMA-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4/c20-19(18(24)25)10-16(17(22)23)21(12-19)11-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-9,16H,10-12,20H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:22,21,23,15,16,20,24,14,17,6,12,25,19,13,18,7,8,3,2,1,11,9,10,4,5/E:(2,3)(6,7)(22,23)(24,25)/rA:25NCCOOCCCOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-QEAZKLRJRFXNDG_on_P41594_WT,High,ChEMBL30,CHEMBL271275,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccccc3)c2c1,QEAZKLRJRFXNDG,QEAZKLRJRFXNDG-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c1-3-23-19(22)16-11-18-17(20-14(2)12-21(18)13-16)10-9-15-7-5-4-6-8-15/h4-8,11-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,19,18,20,17,21,15,14,23,9,7,10,16,6,13,22,4,12,8,5,3/E:(5,6)(7,8)/rA:23CCOCOCCNCCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s8s13;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-QEBQNZBNTROKNX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403677;71712733,Fc1cc(C#Cc2nc3c(CN(C4CCCC4)CC3)s2)ccc1,QEBQNZBNTROKNX,QEBQNZBNTROKNX-UHFFFAOYSA-N,"InChI=1S/C19H19FN2S/c20-15-5-3-4-14(12-15)8-9-19-21-17-10-11-22(13-18(17)23-19)16-6-1-2-7-16/h3-5,12,16H,1-2,6-7,10-11,13H2","""AuxInfo=1/0/N:15,16,22,21,23,14,17,5,6,19,18,3,11,4,2,13,9,10,7,1,8,12,20/E:(1,2)(6,7)/rA:23FCCCCCCNCCCNCCCCCCCSCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s13s16;s12;s9s18;s7s10;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  6.190;  6.194,6.192,0.002,0.002,2.0,6.192,0.002
-QEGZVBVIVYRNHK_on_O15399_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_O60391_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_Q05586_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_Q12879_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_Q13224_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEGZVBVIVYRNHK_on_Q14957_WT,Low,ChEMBL30,CHEMBL310897,NC(Cc1c(-c2nccs2)onc1O)C(=O)O,QEGZVBVIVYRNHK,QEGZVBVIVYRNHK-UHFFFAOYSA-N,"InChI=1S/C9H9N3O4S/c10-5(9(14)15)3-4-6(16-12-7(4)13)8-11-1-2-17-8/h1-2,5H,3,10H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:8,9,3,4,2,5,13,6,15,1,7,12,14,16,17,11,10/E:(14,15)/rA:17NCCCCCNCCSONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QEHVAUCFDVJQOX_on_Q13255_WT,High,ChEMBL30,CHEMBL3422883,N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1c(F)ccnc1)C2,QEHVAUCFDVJQOX,QEHVAUCFDVJQOX-UHFFFAOYSA-N,"InChI=1S/C21H17FN4OS/c22-18-6-8-24-12-17(18)21(27)26-9-7-15-16(10-23)20(28-19(15)13-26)25-11-14-4-2-1-3-5-14/h1-6,8,12,25H,7,9,11,13H2","""AuxInfo=1/0/N:10,9,11,8,12,24,16,25,17,2,6,27,28,7,15,3,21,22,14,4,19,23,1,26,5,18,20,13/E:(2,3)(4,5)/rA:28NCCCNCCCCCCCSCCCCNCOCCFCCNCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s3d14;s15;s16;s17;s18;d19;s19;d21;s22;s22;d24;s25;s21d26;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.910,5.91,0.0,0.0,1.0,5.91,0.0
-QEKKQZYHJRIXFC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3923012,O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1cnccn1,QEKKQZYHJRIXFC,QEKKQZYHJRIXFC-UHFFFAOYSA-N,"InChI=1S/C20H20N4O/c25-18(17-14-21-12-13-23-17)24-20-7-3-6-19(15-20,9-10-20)8-5-16-4-1-2-11-22-16/h1-2,4,11-14H,3,6-7,9-10,15H2,(H,24,25)","""AuxInfo=1/1/N:13,14,6,12,10,7,5,9,17,18,15,23,24,21,19,11,20,2,8,4,22,16,25,3,1/rA:25OCNCCCCCCCCCCCCNCCCCCNCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s4s17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-QELGNUUNTJLTCS_on_P31644_WT,High,ChEMBL30,CHEMBL3681458,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccncc2)no1,QELGNUUNTJLTCS,QELGNUUNTJLTCS-UHFFFAOYSA-N,"InChI=1S/C20H20N4O5S/c1-14-17(19(23-29-14)15-4-6-21-7-5-15)13-28-18-3-2-16(12-22-18)20(25)24-8-10-30(26,27)11-9-24/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,8,7,24,28,25,27,13,19,14,18,20,4,2,23,9,3,6,22,10,26,21,29,12,11,16,17,5,30,15/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:30.6/rA:30CCCCOCCCCCONCCSOOCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-QEMSVZNTSXPFJA_on_O15399_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427;CHEMBL751683,PMID:12617901,2003.0,PMID:15225705;PMID:12617901,2004;2003,1;0,0,0,0;1,0,,=,  8.150;  7.960,8.055,0.095,0.095,2.0,8.055,0.095
-QEMSVZNTSXPFJA_on_O60391_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427;CHEMBL751683,PMID:12617901,2003.0,PMID:15225705;PMID:12617901,2004;2003,1;0,0,0,0;1,0,,=,  8.150;  7.960,8.055,0.095,0.095,2.0,8.055,0.095
-QEMSVZNTSXPFJA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427;CHEMBL751683,PMID:12617901,2003.0,PMID:15225705;PMID:12617901,2004;2003,1;0,0,0,0;1,0,,=,  8.150;  7.960,8.055,0.095,0.095,2.0,8.055,0.095
-QEMSVZNTSXPFJA_on_Q05586_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708;CHEMBL751683;CHEMBL747358,PMID:12617901,2003.0,PMID:15225705;PMID:15225705;PMID:12617901;PMID:12639560,2004;2004;2003;2003,1;1;0;0,0,0,0;0;1;1,0,,=,  8.150;  7.520;  7.960;  7.960,7.897,0.231,0.134,4.0,7.96,0.095
-QEMSVZNTSXPFJA_on_Q12879_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427;CHEMBL751683,PMID:12617901,2003.0,PMID:15225705;PMID:12617901,2004;2003,1;0,0,0,0;1,0,,=,  8.150;  7.960,8.055,0.095,0.095,2.0,8.055,0.095
-QEMSVZNTSXPFJA_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,219101;CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:598080;CHEMBL1781194,PMID:12617901,2003.0,PubChemAID:598080;PMID:21524576,2012;2011,0;1,0,0,0,1;0,,=,  7.131;  7.130,7.13,0.0,0.0,2.0,7.13,0.001
-QEMSVZNTSXPFJA_on_Q14957_WT,Low,ChEMBL30,CHEMBL17350,CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1,QEMSVZNTSXPFJA,QEMSVZNTSXPFJA-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,2,5,17,8,3,15,12,9,4,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427;CHEMBL751683,PMID:12617901,2003.0,PMID:15225705;PMID:12617901,2004;2003,1;0,0,0,0;1,0,,=,  8.150;  7.960,8.055,0.095,0.095,2.0,8.055,0.095
-QENHDVWRWPITTM_on_Q05586_WT,Low,ChEMBL30,CHEMBL158510,N=C(C=Cc1ccccc1)NCc1cccc(C(F)(F)F)c1,QENHDVWRWPITTM,QENHDVWRWPITTM-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-8-4-7-14(11-15)12-22-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,15,6,10,14,16,4,3,22,12,5,13,17,2,18,19,20,21,1,11/E:(2,3)(5,6)(18,19,20)/rA:22NCCCCCCCCCNCCCCCCCFFFC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s17;s18;s18;s18;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-QENHDVWRWPITTM_on_Q13224_WT,Low,ChEMBL30,CHEMBL158510,N=C(C=Cc1ccccc1)NCc1cccc(C(F)(F)F)c1,QENHDVWRWPITTM,QENHDVWRWPITTM-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2/c18-17(19,20)15-8-4-7-14(11-15)12-22-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,21,22)","""AuxInfo=1/1/N:8,7,9,15,6,10,14,16,4,3,22,12,5,13,17,2,18,19,20,21,1,11/E:(2,3)(5,6)(18,19,20)/rA:22NCCCCCCCCCNCCCCCCCFFFC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s17;s18;s18;s18;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-QEOALCGEBYTHSG_on_P41594_WT,High,ChEMBL30,CHEMBL2431408,COc1cnc(N2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)nc1,QEOALCGEBYTHSG,QEOALCGEBYTHSG-UHFFFAOYSA-N,"InChI=1S/C27H27FN6O2/c1-19-14-21(8-9-23(19)28)24-17-34(26(31-24)20-6-4-3-5-7-20)18-25(35)32-10-12-33(13-11-32)27-29-15-22(36-2)16-30-27/h3-9,14-17H,10-13,18H2,1-2H3","""AuxInfo=1/0/N:20,1,30,29,31,28,32,24,23,9,33,8,34,18,4,36,15,13,19,27,17,3,21,16,11,26,6,22,5,35,25,10,7,14,12,2/E:(4,5)(6,7)(10,11)(12,13)(15,16)(29,30)/rA:36COCCNCNCCNCOCNCCCCCCCFCCNCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s18;s19;d19;s21;s21;s17d23;s16;s14d25;s26;d27;s28;d29;s30;s27d31;s10;s7s33;s6;s3d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-QEQXHNRBZIIRNS_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094414,COc1ccccc1OCC1CN(c2ccccc2)C(=O)O1,QEQXHNRBZIIRNS,QEQXHNRBZIIRNS-UHFFFAOYSA-N,"InChI=1S/C17H17NO4/c1-20-15-9-5-6-10-16(15)21-12-14-11-18(17(19)22-14)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3","""AuxInfo=1/0/N:1,17,16,18,5,6,15,19,4,7,12,10,14,11,3,8,20,13,21,2,9,22/E:(3,4)(7,8)/rA:22COCCCCCCOCCCNCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;d20;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QESHMODRPYVTIK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3961788,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F,QESHMODRPYVTIK,QESHMODRPYVTIK-UHFFFAOYSA-N,"InChI=1S/C24H19F5N4O2/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34)","""AuxInfo=1/1/N:1,2,15,20,10,16,19,11,21,8,6,30,14,9,17,12,13,22,5,28,27,23,3,32,18,29,33,34,35,24,31,26,7,25,4/E:(3,4)(6,7)(27,28,29)/rA:35CCCOCCNCCCCCCCCCCFCCCCCNONCCFCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s28;s7;s5d30;s3;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-QETYRJCMLGWFDX_on_P41594_WT,High,ChEMBL30,CHEMBL201828,O=C(NC1=NC(=O)C2CCCN12)Nc1ccccc1,QETYRJCMLGWFDX,QETYRJCMLGWFDX-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-11-10-7-4-8-17(10)12(15-11)16-13(19)14-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:17,16,18,10,15,19,9,11,14,8,6,4,2,13,5,3,12,7,1/E:(2,3)(5,6)/rA:19OCNCNCOCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s6;s8;s9;s10;s4s8s11;s2;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-QEVUCHLBYLYULX_on_Q14416_WT,High,ChEMBL30,CHEMBL3337502,CC(C)CCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O,QEVUCHLBYLYULX,QEVUCHLBYLYULX-UHFFFAOYSA-N,"InChI=1S/C22H27N3O/c1-17(2)8-12-25-15-11-21(20(16-23)22(25)26)24-13-9-19(10-14-24)18-6-4-3-5-7-18/h3-7,11,15,17,19H,8-10,12-14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,4,12,20,8,5,11,21,7,23,2,14,13,22,9,25,24,10,6,26/E:(1,2)(4,5)(6,7)(9,10)(13,14)/rA:26CCCCCNCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;s10s20;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-QFASDCSWFAYCSH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290606,CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1,QFASDCSWFAYCSH,QFASDCSWFAYCSH-UHFFFAOYSA-N,"InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3","""AuxInfo=1/0/N:1,7,26,6,8,25,27,5,9,24,28,19,18,15,14,29,3,32,12,22,4,23,16,20,17,30,10,2,13,31,11,21/E:(4,5)(6,7)(8,9)(10,11)/rA:32CNCCCCCCCCOCNCCCCCCCOCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s17;s30;s13s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-QFASDCSWFAYCSH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290606,CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1,QFASDCSWFAYCSH,QFASDCSWFAYCSH-UHFFFAOYSA-N,"InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3","""AuxInfo=1/0/N:1,7,26,6,8,25,27,5,9,24,28,19,18,15,14,29,3,32,12,22,4,23,16,20,17,30,10,2,13,31,11,21/E:(4,5)(6,7)(8,9)(10,11)/rA:32CNCCCCCCCCOCNCCCCCCCOCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s17;s30;s13s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-QFBDRSIFOKYSDY_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11235624;CHEMBL1629862,CCOc1c(C(F)(F)F)cc2NC(=O)CC(c3cccc(-c4ccncc4)c3)=Nc2c1,QFBDRSIFOKYSDY,QFBDRSIFOKYSDY-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O2/c1-2-31-21-12-20-19(11-17(21)23(24,25)26)29-22(30)13-18(28-20)16-5-3-4-15(10-16)14-6-8-27-9-7-14/h3-12H,2,13H2,1H3,(H,29,30)","""AuxInfo=1/1/N:1,2,19,20,18,23,27,24,26,28,10,31,15,22,21,17,5,16,11,30,4,13,6,7,8,9,25,29,12,14,3/E:(6,7)(8,9)(24,25,26)/rA:31CCOCCCFFFCCNCOCCCCCCCCCCNCCCNCC/rB:s1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s12;d13;s13;s15;s16;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s17d21;w?16;s11s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:548400;CHEMBL1639554,PMID:20971004,2010.0,PubChemAID:548400;PMID:20971004,2011;2010,0;1,0,0,0,1;0,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-QFBGUCZGHVJUGC_on_P41594_WT,Low,ChEMBL30,CHEMBL469382,OCCOCCNc1ncc2ncnc(NC3Cc4c(cccc4)C3)c2c1,QFBGUCZGHVJUGC,QFBGUCZGHVJUGC-UHFFFAOYSA-N,"InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)","""AuxInfo=1/1/N:22,23,21,24,6,2,5,3,25,18,27,10,13,20,19,17,26,11,8,15,7,9,12,14,16,1,4/E:(1,2)(3,4)(9,10)(14,15)/rA:27OCCOCCNCNCCNCNCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17s20;s11s15;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL987732,PMID:19289283,2009.0,PMID:19289283,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-QFBGUCZGHVJUGC_on_Q13255_WT,Medium,ChEMBL30,CHEMBL469382,OCCOCCNc1ncc2ncnc(NC3Cc4c(cccc4)C3)c2c1,QFBGUCZGHVJUGC,QFBGUCZGHVJUGC-UHFFFAOYSA-N,"InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)","""AuxInfo=1/1/N:22,23,21,24,6,2,5,3,25,18,27,10,13,20,19,17,26,11,8,15,7,9,12,14,16,1,4/E:(1,2)(3,4)(9,10)(14,15)/rA:27OCCOCCNCNCCNCNCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17s20;s11s15;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL987724,PMID:19289283,2009.0,PMID:19289283,2009,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-QFEPUDQRKRRIGW_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL257879;44453213,Cc1cn2cc(C#N)cc2c(C#Cc2ccccc2F)n1,QFEPUDQRKRRIGW,QFEPUDQRKRRIGW-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c1-12-10-21-11-13(9-19)8-17(21)16(20-12)7-6-14-4-2-3-5-15(14)18/h2-5,8,10-11H,1H3","""AuxInfo=1/0/N:1,16,17,15,18,13,12,9,7,3,5,2,6,14,19,11,10,20,8,21,4/rA:21CCCNCCCNCCCCCCCCCCCFN/rB:s1;d2;s3;s4;d5;s6;t7;s6;s4d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s19;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  8.500;  8.500,8.5,0.0,0.0,2.0,8.5,0.0
-QFGZDSNEPZPSFG_on_P41594_WT,High,ChEMBL30,CHEMBL2440597,O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)cc(Oc2cncnc2)c1,QFGZDSNEPZPSFG,QFGZDSNEPZPSFG-UHFFFAOYSA-N,"InChI=1S/C15H8F4N4O2S/c16-9-1-8(2-10(3-9)25-11-4-20-7-21-5-11)13(24)23-14-22-12(6-26-14)15(17,18)19/h1-7H,(H,22,23,24)","""AuxInfo=1/1/N:14,26,17,21,25,11,23,13,15,18,20,6,2,4,7,16,8,9,10,22,24,5,3,1,19,12/E:(4,5)(17,18,19)(20,21)/rA:26OCNCNCCFFFCSCCCFCCOCCNCNCC/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s4s11;s2;d13;s14;s15;d15;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-QFILSKCJZBACNI_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830901,Cc1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc(C)c1,QFILSKCJZBACNI,QFILSKCJZBACNI-UHFFFAOYSA-N,"InChI=1S/C16H17N5S/c1-9-6-10(2)18-14(7-9)19-16-20-15-11-8-17-21-12(11)4-3-5-13(15)22-16/h6-8H,3-5H2,1-2H3,(H,17,21)(H,18,19,20)","""AuxInfo=1/1/N:1,21,11,12,10,22,3,15,2,20,14,13,9,4,8,6,16,19,5,7,17,18/rA:22CCCCNCNCCCCCCCCNNSNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;d4;s19;s20;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QFMUUVMGIISNKW_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830915;53388362,COc1ccnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,QFMUUVMGIISNKW,QFMUUVMGIISNKW-UHFFFAOYSA-N,"InChI=1S/C14H14N6OS/c1-21-11-5-6-15-13(17-11)19-14-18-12-8-7-16-20-9(8)3-2-4-10(12)22-14/h5-7H,2-4H2,1H3,(H,16,20)(H,15,17,18,19)","""AuxInfo=1/1/N:1,14,15,13,4,5,18,17,16,12,3,11,7,9,6,19,22,10,8,20,2,21/rA:22COCCCNCNCNCCCCCCCCNNSN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;s11d16;s17;d18;s16s19;s9s12;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  7.000;  7.000,7.0,0.0,0.0,2.0,7.0,0.0
-QFNLKRRCJPMHMC_on_P14867_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-QFNLKRRCJPMHMC_on_P18507_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.510;  8.120;  7.020;  7.390,7.51,0.396,0.22899999999999998,4.0,7.45,0.245
-QFNLKRRCJPMHMC_on_P28472_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.020;  7.390;  8.120;  7.510,7.51,0.396,0.22899999999999998,4.0,7.45,0.245
-QFNLKRRCJPMHMC_on_P31644_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-QFNLKRRCJPMHMC_on_P34903_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-QFNLKRRCJPMHMC_on_P47869_WT,Low,ChEMBL30,CHEMBL178840,CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,QFNLKRRCJPMHMC,QFNLKRRCJPMHMC-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2S/c1-32-31-20-13-7-16(8-14-20)15-30-25-22-18-11-9-17(10-12-18)21(22)24-27-26-23(29(24)28-25)19-5-3-2-4-6-19/h2-8,13-14,17-18H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,6,31,27,29,26,30,5,32,8,7,28,25,14,4,23,24,13,22,10,20,21,11,12,9,3,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32CSOCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s7;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-QFRLATDYDQXTBH_on_O00591_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_O14764_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P14867_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P18505_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P18507_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P28472_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P31644_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P34903_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P47869_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P47870_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P48169_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_P78334_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_Q16445_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRLATDYDQXTBH_on_Q99928_WT,Low,ChEMBL30,CHEMBL304273,Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1,QFRLATDYDQXTBH,QFRLATDYDQXTBH-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-6-7-14-12(8-10)17-18(21-14)16-11-4-2-3-5-13(11)20-15(16)9-19-17/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,17,16,18,15,3,4,21,10,2,13,20,14,5,11,12,8,7,9,19,6/rA:21CCCCCNCCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s13d17;s11s14;s5s8;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-QFRNZEQLGXIDMF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3921043,Cc1ccc(CS(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1,QFRNZEQLGXIDMF,QFRNZEQLGXIDMF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3S2/c1-12-6-8-14(9-7-12)11-26(23,24)17-13(2)20-18(25-17)21-16(22)15-5-3-4-10-19-15/h3-10H,11H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,12,20,21,19,3,26,4,25,22,6,2,11,5,18,16,10,14,23,13,15,17,8,9,24,7/E:(6,7)(8,9)(23,24)/CRV:26.6/rA:26CCCCCCSOOCCCNCNCOCCCCCNSCC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s11;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s10s14;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-QFROXXYHINJVKI_on_Q14833_WT,High,ChEMBL30,CHEMBL3609736,N#Cc1cccc(NC(=O)c2ncccc2)c1,QFROXXYHINJVKI,QFROXXYHINJVKI-UHFFFAOYSA-N,"InChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17)","""AuxInfo=1/1/N:15,14,5,4,6,16,13,17,2,3,7,11,9,1,12,8,10/rA:17NCCCCCCNCOCNCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3d7;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  7.980;  7.980,7.98,0.0,0.0,2.0,7.98,0.0
-QFTWJIXNCYSAOI_on_Q13255_WT,High,ChEMBL30,CHEMBL3634435,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1,QFTWJIXNCYSAOI,QFTWJIXNCYSAOI-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,9,27,26,24,2,7,14,18,10,15,3,4,12,16,19,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCClCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.460;  7.460,7.46,0.0,0.0,2.0,7.46,0.0
-QFTWJIXNCYSAOI_on_Q14833_WT,High,ChEMBL30,CHEMBL3634435,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1,QFTWJIXNCYSAOI,QFTWJIXNCYSAOI-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-7-8-27-16(10)17(24)22-11-5-6-14(21-9-11)23-18(25)12-3-2-4-13(20)15(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,9,27,26,24,2,7,14,18,10,15,3,4,12,16,19,23,6,11,5,13,17,25/rA:27CCCCONCCCCNCOCCCOCClCCCNCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-QFXOKWKALRAJEF_on_O15399_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_O60391_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QFXOKWKALRAJEF_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365758,N=C(N)NN=Cc1ccc(N)cc1,QFXOKWKALRAJEF,QFXOKWKALRAJEF-UHFFFAOYSA-N,"InChI=1S/C8H11N5/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,9H2,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-QGAOUYWNAJXHKS_on_Q14833_WT,High,ChEMBL30,CHEMBL1209661,Nc1nccc(C=Cc2ccc(F)cc2)n1,QGAOUYWNAJXHKS,QGAOUYWNAJXHKS-UHFFFAOYSA-N,"InChI=1S/C12H10FN3/c13-10-4-1-9(2-5-10)3-6-11-7-8-15-12(14)16-11/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:10,15,8,11,14,7,5,4,9,12,6,2,13,1,3,16/E:(1,2)(4,5)/rA:16NCNCCCCCCCCCFCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s2d6;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-QGARKUOFULRQDT_on_O15399_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_O60391_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGARKUOFULRQDT_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365774,COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-],QGARKUOFULRQDT,QGARKUOFULRQDT-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-17-8-3-2-6(4-7(8)14(15)16)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,16,17,2/E:(10,11)(15,16)/CRV:14.5/rA:17COCCCCCNNCNNCCN+OO-/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-QGDIHSFHHMDSOJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112574,NC(CC1CCCCC1)(C(=O)O)C1CC1C(=O)O,QGDIHSFHHMDSOJ,QGDIHSFHHMDSOJ-UHFFFAOYSA-N,"InChI=1S/C13H21NO4/c14-13(12(17)18,10-6-9(10)11(15)16)7-8-4-2-1-3-5-8/h8-10H,1-7,14H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:7,6,8,5,9,14,3,4,15,13,16,10,2,1,17,18,11,12/E:(2,3)(4,5)(15,16)(17,18)/rA:18NCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QGDIHSFHHMDSOJ_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112574,NC(CC1CCCCC1)(C(=O)O)C1CC1C(=O)O,QGDIHSFHHMDSOJ,QGDIHSFHHMDSOJ-UHFFFAOYSA-N,"InChI=1S/C13H21NO4/c14-13(12(17)18,10-6-9(10)11(15)16)7-8-4-2-1-3-5-8/h8-10H,1-7,14H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:7,6,8,5,9,14,3,4,15,13,16,10,2,1,17,18,11,12/E:(2,3)(4,5)(15,16)(17,18)/rA:18NCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QGDVBORCHDZMAL_on_P31644_WT,High,ChEMBL30,CHEMBL3681539,Cc1c(COc2ccc(C(=O)N3CCSC3)cn2)c(-c2ccccc2)no1,QGDVBORCHDZMAL,QGDVBORCHDZMAL-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3S/c1-14-17(19(22-26-14)15-5-3-2-4-6-15)12-25-18-8-7-16(11-21-18)20(24)23-9-10-27-13-23/h2-8,11H,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,8,7,13,14,17,4,16,2,20,9,3,6,19,10,18,26,12,11,5,27,15/E:(3,4)(5,6)/rA:27CCCCOCCCCCONCCSCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s12s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-QGGMLWQJUHYNLK_on_P41594_WT,High,ChEMBL30,CHEMBL1808885,COc1c(C2CCCN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1,QGGMLWQJUHYNLK,QGGMLWQJUHYNLK-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O2/c1-26-20-12-18(15-7-3-8-16(22)11-15)23-13-17(20)19-9-4-10-24(19)21(25)14-5-2-6-14/h3,7-8,11-14,19H,2,4-6,9-10H2,1H3","""AuxInfo=1/0/N:1,14,24,7,13,15,25,23,6,8,20,26,16,12,19,21,4,18,5,3,10,22,17,9,11,2/E:(5,6)/rA:26COCCCCCCNCOCCCCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s5s8;s9;d10;s10;s12;s13;s12s14;s4;d16;s17;s18;d19;s20;s21;d21;s23;s19d24;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  7.920;  8.100,8.01,0.09,0.09,2.0,8.01,0.09
-QGJSNKKVNIDYMG_on_P31644_WT,High,ChEMBL30,CHEMBL3681445,O=C(NCC(F)(F)F)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,QGJSNKKVNIDYMG,QGJSNKKVNIDYMG-UHFFFAOYSA-N,"InChI=1S/C19H12F7N3O3/c20-12-4-1-10(2-5-12)15-13(16(32-29-15)19(24,25)26)8-31-14-6-3-11(7-27-14)17(30)28-9-18(21,22)23/h1-7H,8-9H2,(H,28,30)","""AuxInfo=1/1/N:25,30,10,26,29,11,32,14,4,24,9,27,15,12,23,16,2,5,17,28,6,7,8,18,19,20,31,3,22,1,13,21/E:(1,2)(4,5)(21,22,23)(24,25,26)/rA:32OCNCCFFFCCCCOCCCCFFFONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s21;s15d22;s23;d24;s25;d26;s27;s27;s24d29;s12;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-QGLHYLOVRGIJDA_on_P18507_WT,Low,ChEMBL30,CHEMBL577249,Clc1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,QGLHYLOVRGIJDA,QGLHYLOVRGIJDA-UHFFFAOYSA-N,"InChI=1S/C14H8BrClN4/c15-9-1-2-11-10(4-9)13-8(5-17-6-18-13)3-12-14(16)19-7-20(11)12/h1-2,4-7H,3H2","""AuxInfo=1/0/N:14,13,4,17,10,8,19,5,15,11,12,3,6,2,16,1,9,7,20,18/rA:20ClCCCCCNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-QGLHYLOVRGIJDA_on_P28472_WT,Low,ChEMBL30,CHEMBL577249,Clc1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,QGLHYLOVRGIJDA,QGLHYLOVRGIJDA-UHFFFAOYSA-N,"InChI=1S/C14H8BrClN4/c15-9-1-2-11-10(4-9)13-8(5-17-6-18-13)3-12-14(16)19-7-20(11)12/h1-2,4-7H,3H2","""AuxInfo=1/0/N:14,13,4,17,10,8,19,5,15,11,12,3,6,2,16,1,9,7,20,18/rA:20ClCCCCCNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-QGLHYLOVRGIJDA_on_P31644_WT,Low,ChEMBL30,CHEMBL577249,Clc1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,QGLHYLOVRGIJDA,QGLHYLOVRGIJDA-UHFFFAOYSA-N,"InChI=1S/C14H8BrClN4/c15-9-1-2-11-10(4-9)13-8(5-17-6-18-13)3-12-14(16)19-7-20(11)12/h1-2,4-7H,3H2","""AuxInfo=1/0/N:14,13,4,17,10,8,19,5,15,11,12,3,6,2,16,1,9,7,20,18/rA:20ClCCCCCNCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s6;d11;s12;d13;s14;s15;s11d15;s3s12;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-QGLSNUJUWNIBMH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894707,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOCCn23)ccc1C(F)(F)F,QGLSNUJUWNIBMH,QGLSNUJUWNIBMH-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-13-11-14(5-7-25-13)19-17-6-9-29-10-8-27(17)20(26-19)15-3-4-16(21(22,23)24)18(12-15)28-2/h3-5,7,11-12H,6,8-10H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,10,17,11,21,18,20,15,4,13,9,5,25,16,3,8,6,26,27,28,29,12,7,22,2,19/E:(22,23,24)/rA:29COCCCCNCCCCNCCCCCCOCCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s6s16s21;d5;s23;s3d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-QGOAGGOYLMIFPI_on_P14867_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-QGOAGGOYLMIFPI_on_P18507_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL830420;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.300;  7.890;  8.410;  8.010,8.402000000000001,0.5529999999999999,0.319,4.0,8.21,0.26
-QGOAGGOYLMIFPI_on_P28472_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890;  9.300;  8.010;  8.410,8.402000000000001,0.5529999999999999,0.319,4.0,8.21,0.26
-QGOAGGOYLMIFPI_on_P31644_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-QGOAGGOYLMIFPI_on_P34903_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-QGOAGGOYLMIFPI_on_P47869_WT,Low,ChEMBL30,CHEMBL175475,COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,QGOAGGOYLMIFPI,QGOAGGOYLMIFPI-UHFFFAOYSA-N,"InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3","""AuxInfo=1/0/N:1,21,20,22,8,19,23,7,31,33,30,34,9,3,4,12,32,29,18,11,6,27,28,17,26,14,10,24,25,15,16,2,5,13/E:(3,4)(6,7)(9,10)(11,12)/rA:34COCCOCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s26;s14d27;s28;s29;s30;s27s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-QGOBZFGVMJKZLP_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771695,Cc1cccc(-c2noc(C3CCCN3C(=O)C3CCC3)n2)c1,QGOBZFGVMJKZLP,QGOBZFGVMJKZLP-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c1-12-5-2-8-14(11-12)16-19-17(23-20-16)15-9-4-10-21(15)18(22)13-6-3-7-13/h2,5,8,11,13,15H,3-4,6-7,9-10H2,1H3","""AuxInfo=1/0/N:1,4,20,13,3,19,21,5,12,14,23,2,18,6,11,7,10,16,22,8,15,17,9/E:(6,7)/rA:23CCCCCCCNOCCCCCNCOCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s18s20;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-QGOIQUQFLOHODO_on_P31644_WT,High,ChEMBL30,CHEMBL3675682,Cc1c(C(=O)NC(C)C)sc(C=Cc2c(C)nnn2-c2ccc(F)cc2)n1,QGOIQUQFLOHODO,QGOIQUQFLOHODO-UHFFFAOYSA-N,"InChI=1S/C19H20FN5OS/c1-11(2)21-19(26)18-13(4)22-17(27-18)10-9-16-12(3)23-24-25(16)15-7-5-14(20)6-8-15/h5-11H,1-4H3,(H,21,26)","""AuxInfo=1/1/N:8,9,16,1,22,25,21,26,13,12,7,15,2,23,20,14,11,3,4,24,6,27,17,18,19,5,10/E:(1,2)(5,6)(7,8)/rA:27CCCCONCCCSCCCCCCNNNCCCCFCCN/rB:s1;d2;s3;d4;s4;s6;s7;s7;s3;s10;s11;w?12;s13;d14;s15;s15;d17;s14s18;s19;d20;s21;d22;s23;s23;s20d25;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-QGOWPLLCVJGEON_on_Q14416_WT,High,ChEMBL30,CHEMBL3764850,Cc1ccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc1,QGOWPLLCVJGEON,QGOWPLLCVJGEON-UHFFFAOYSA-N,"InChI=1S/C19H23N3O/c1-13-6-8-14(9-7-13)15-10-11-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:1,19,20,21,13,3,23,4,22,7,8,17,2,5,6,9,10,14,18,11,12,16,15/E:(2,3,4)(6,7)(8,9)/rA:23CCCCCCCCCCNNCCONCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s10;s12;s12;d14;s9s14;s16;s17;s18;s18;s18;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-QGQDNCUVACJICA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112479,CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F,QGQDNCUVACJICA,QGQDNCUVACJICA-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-4-30-20-12-17(5-6-18(20)23(24,25)26)22-28-21(16-7-9-27-14(2)11-16)19-8-10-31-15(3)13-29(19)22/h5-7,9,11-12,15H,4,8,10,13H2,1-3H3","""AuxInfo=1/0/N:1,15,22,2,25,26,11,18,12,19,16,5,23,14,21,10,6,27,17,4,9,7,28,29,30,31,13,8,24,3,20/E:(24,25,26)/rA:31CCOCCCCNCCCCNCCCCCCOCCCNCCCCFFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;d6;s25;s4d26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-QGUPFWSQXPLSKU_on_P31644_WT,High,ChEMBL30,CHEMBL3681463,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2cccnc2)no1,QGUPFWSQXPLSKU,QGUPFWSQXPLSKU-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-12(2)22-19(24)15-6-7-17(21-10-15)25-11-16-13(3)26-23-18(16)14-5-4-8-20-9-14/h4-10,12H,11H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,21,20,8,7,22,24,16,4,13,2,19,9,3,6,18,10,23,17,12,25,11,5,26/E:(1,2)/rA:26CCCCOCCCCCONCCCCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-QGVXCAFZGFGULT_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702459,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(O)nc1)ccc3,QGVXCAFZGFGULT,QGVXCAFZGFGULT-UHFFFAOYSA-N,"InChI=1S/C24H21N5O2/c30-23-7-6-16(11-26-23)17-2-1-3-19-18(17)8-9-29-21(19)10-22(25-12-24(29)31)28-13-20(27-14-28)15-4-5-15/h1-3,6-7,10-11,13-15H,4-5,8-9,12H2,(H,26,30)","""AuxInfo=1/1/N:30,29,31,11,12,23,24,18,19,14,28,3,13,7,10,22,21,17,16,9,15,5,25,2,4,27,8,6,20,26,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCONCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QGYLDRPCDBYKAP_on_P18507_WT,Low,ChEMBL30,CHEMBL1783261,COc1cc(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c(OC)cc1,QGYLDRPCDBYKAP,QGYLDRPCDBYKAP-UHFFFAOYSA-N,"InChI=1S/C20H22N4O4/c1-27-12-7-8-16(28-2)15(11-12)13-5-3-6-14-17(21)19(24-23-18(13)14)20(26)22-9-4-10-25/h3,5-8,11,25H,4,9-10H2,1-2H3,(H2,21,23)(H,22,26)","""AuxInfo=1/1/N:1,26,8,18,7,9,28,27,17,19,4,3,6,10,5,24,11,23,13,14,12,16,22,21,20,15,2,25/rA:28COCCCCCCCCCNCCONCCCONNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-QGYLDRPCDBYKAP_on_P28472_WT,Low,ChEMBL30,CHEMBL1783261,COc1cc(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c(OC)cc1,QGYLDRPCDBYKAP,QGYLDRPCDBYKAP-UHFFFAOYSA-N,"InChI=1S/C20H22N4O4/c1-27-12-7-8-16(28-2)15(11-12)13-5-3-6-14-17(21)19(24-23-18(13)14)20(26)22-9-4-10-25/h3,5-8,11,25H,4,9-10H2,1-2H3,(H2,21,23)(H,22,26)","""AuxInfo=1/1/N:1,26,8,18,7,9,28,27,17,19,4,3,6,10,5,24,11,23,13,14,12,16,22,21,20,15,2,25/rA:28COCCCCCCCCCNCCONCCCONNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-QGYLDRPCDBYKAP_on_P47869_WT,Low,ChEMBL30,CHEMBL1783261,COc1cc(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c(OC)cc1,QGYLDRPCDBYKAP,QGYLDRPCDBYKAP-UHFFFAOYSA-N,"InChI=1S/C20H22N4O4/c1-27-12-7-8-16(28-2)15(11-12)13-5-3-6-14-17(21)19(24-23-18(13)14)20(26)22-9-4-10-25/h3,5-8,11,25H,4,9-10H2,1-2H3,(H2,21,23)(H,22,26)","""AuxInfo=1/1/N:1,26,8,18,7,9,28,27,17,19,4,3,6,10,5,24,11,23,13,14,12,16,22,21,20,15,2,25/rA:28COCCCCCCCCCNCCONCCCONNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-QHBLXVIRCXAIGL_on_Q14416_WT,High,ChEMBL30,CHEMBL3969063,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2n[nH]cn2)C2C(C(=O)O)C21,QHBLXVIRCXAIGL,QHBLXVIRCXAIGL-UHFFFAOYSA-N,"InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)","""AuxInfo=1/1/N:10,11,16,8,22,9,12,14,24,25,29,17,6,26,3,19,2,13,15,1,23,21,20,27,28,4,5,7,18/E:(24,25)(26,27)/rA:29NCCOOCOCCCCCClCClCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s18;d19;s20;s21;s19d22;s17;s24;s25;d26;s26;s2s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869549;CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,0;1,0,0,1;0,0,,=,  8.130;  7.900,8.015,0.115,0.115,2.0,8.015,0.115
-QHBLXVIRCXAIGL_on_Q14832_WT,High,ChEMBL30,CHEMBL3969063,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2n[nH]cn2)C2C(C(=O)O)C21,QHBLXVIRCXAIGL,QHBLXVIRCXAIGL-UHFFFAOYSA-N,"InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)","""AuxInfo=1/1/N:10,11,16,8,22,9,12,14,24,25,29,17,6,26,3,19,2,13,15,1,23,21,20,27,28,4,5,7,18/E:(24,25)(26,27)/rA:29NCCOOCOCCCCCClCClCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s18;d19;s20;s21;s19d22;s17;s24;s25;d26;s26;s2s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550;CHEMBL3869614,PMID:27836401,2016.0,PMID:27836401,2016,1;0,0,0,0;1,0,,=,  7.630;  8.570,8.1,0.47,0.47,2.0,8.1,0.47
-QHCGIZIPARWWFS_on_P41594_WT,Medium,ChEMBL30,CHEMBL363898,Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1,QHCGIZIPARWWFS,QHCGIZIPARWWFS-UHFFFAOYSA-N,"InChI=1S/C19H14FN5/c1-13-5-4-6-14(9-13)15-10-16(20)12-17(11-15)25-23-19(22-24-25)18-7-2-3-8-21-18/h2-12H,1H3","""AuxInfo=1/0/N:1,21,20,4,3,5,22,19,25,8,24,11,2,6,7,9,12,17,16,10,18,15,23,14,13/rA:25CCCCCCCCCFCCNNNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;s7d12;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-QHCZCPVJBQYFPX_on_P18507_WT,Low,ChEMBL30,CHEMBL565338,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(NC(=O)C(C)C)c3)-n2cn1,QHCZCPVJBQYFPX,QHCZCPVJBQYFPX-UHFFFAOYSA-N,"InChI=1S/C19H20N6O3/c1-4-28-19(27)16-15-8-25-17(20-9-22-25)13-7-12(23-18(26)11(2)3)5-6-14(13)24(15)10-21-16/h5-7,9-11H,4,8H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,23,24,2,17,16,25,8,11,27,22,18,14,15,7,6,13,20,4,12,28,10,19,26,9,21,5,3/E:(2,3)/rA:28CCOCOCCCNNCNCCCCCCNCOCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;d20;s20;s22;s22;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-QHCZCPVJBQYFPX_on_P28472_WT,Low,ChEMBL30,CHEMBL565338,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(NC(=O)C(C)C)c3)-n2cn1,QHCZCPVJBQYFPX,QHCZCPVJBQYFPX-UHFFFAOYSA-N,"InChI=1S/C19H20N6O3/c1-4-28-19(27)16-15-8-25-17(20-9-22-25)13-7-12(23-18(26)11(2)3)5-6-14(13)24(15)10-21-16/h5-7,9-11H,4,8H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,23,24,2,17,16,25,8,11,27,22,18,14,15,7,6,13,20,4,12,28,10,19,26,9,21,5,3/E:(2,3)/rA:28CCOCOCCCNNCNCCCCCCNCOCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;d20;s20;s22;s22;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-QHCZCPVJBQYFPX_on_P31644_WT,Low,ChEMBL30,CHEMBL565338,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(NC(=O)C(C)C)c3)-n2cn1,QHCZCPVJBQYFPX,QHCZCPVJBQYFPX-UHFFFAOYSA-N,"InChI=1S/C19H20N6O3/c1-4-28-19(27)16-15-8-25-17(20-9-22-25)13-7-12(23-18(26)11(2)3)5-6-14(13)24(15)10-21-16/h5-7,9-11H,4,8H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,23,24,2,17,16,25,8,11,27,22,18,14,15,7,6,13,20,4,12,28,10,19,26,9,21,5,3/E:(2,3)/rA:28CCOCOCCCNNCNCCCCCCNCOCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s19;d20;s20;s22;s22;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-QHEBYEMECQRJMC_on_Q13255_WT,High,ChEMBL30,CHEMBL3799685,CC(C)c1csc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1,QHEBYEMECQRJMC,QHEBYEMECQRJMC-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-12(2)15-11-25-20(21-15)22-19(23)18-13-7-3-5-9-16(13)24-17-10-6-4-8-14(17)18/h3-12,18H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,14,22,15,23,13,21,16,24,5,2,12,20,4,17,19,11,9,7,25,8,10,18,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)/rA:25CCCCCSCNCOCCCCCCCOCCCCCCN/rB:s1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186;CHEMBL3803186;CHEMBL3804561;CHEMBL3804560,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  6.040;  6.050;  6.660;  6.660,6.353,0.308,0.17800000000000002,4.0,6.355,0.305
-QHFZEXZBGBLPFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL193243,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,QHFZEXZBGBLPFZ,QHFZEXZBGBLPFZ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-QHFZEXZBGBLPFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL193243,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,QHFZEXZBGBLPFZ,QHFZEXZBGBLPFZ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-QHFZEXZBGBLPFZ_on_P47870_WT,Low,ChEMBL30,CHEMBL193243,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,QHFZEXZBGBLPFZ,QHFZEXZBGBLPFZ-UHFFFAOYSA-N,"InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-QHPJCADMROVZOO_on_P31644_WT,High,ChEMBL30,CHEMBL3681421,COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1,QHPJCADMROVZOO,QHPJCADMROVZOO-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O4/c1-11-15(17(21-25-11)12-3-6-14(19)7-4-12)10-24-16-8-5-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,18,23,6,19,22,7,25,10,12,17,5,20,11,8,16,3,21,24,15,4,2,9,14/E:(3,4)(6,7)/rA:25COCOCCCCOCCCCONCCCCCClCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s20;s17d22;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-QHPYGVSSHORSBD_on_O00591_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_O14764_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P14867_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P18505_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P18507_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P28472_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P31644_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P34903_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P47869_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P47870_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P48169_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_P78334_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_Q16445_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHPYGVSSHORSBD_on_Q99928_WT,Low,ChEMBL30,CHEMBL57419,CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC,QHPYGVSSHORSBD,QHPYGVSSHORSBD-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-9-12(16(20)21-4)14(17-2)13-10-7-5-6-8-11(10)19(3)15(13)18-9/h5-8H,1-4H3,(H,17,18)","""AuxInfo=1/1/N:16,1,12,21,9,8,10,7,15,5,6,17,4,3,13,18,2,14,11,19,20/rA:21CNCCCCCCCCNCCNCCCCOOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s11;s4s11;d13;s14;s15;s3d15;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-QHRAEPNDGIDYBL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL198824;44404939,CCCc1cccnc1Nc1nc(C)ccc1,QHRAEPNDGIDYBL,QHRAEPNDGIDYBL-UHFFFAOYSA-N,"InChI=1S/C14H17N3/c1-3-6-12-8-5-10-15-14(12)17-13-9-4-7-11(2)16-13/h4-5,7-10H,3,6H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,14,2,16,6,3,15,5,17,7,13,4,11,9,8,12,10/rA:17CCCCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;s13;d13;s15;s11d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552;PubChemAID:255952,PMID:16039855,2005.0,PMID:16039855;PubChemAID:255952,2005;2010,1;0,0,0,0,0;1,,=,  6.410;  6.404,6.407,0.003,0.003,2.0,6.407,0.003
-QHWIBXOXEAMLOD_on_P41594_WT,High,ChEMBL30,CHEMBL359893,Nc1c(C(=O)Nc2ncccc2)nc(Cl)c(N2CCCCC2)n1,QHWIBXOXEAMLOD,QHWIBXOXEAMLOD-UHFFFAOYSA-N,"InChI=1S/C15H17ClN6O/c16-12-14(22-8-4-1-5-9-22)21-13(17)11(20-12)15(23)19-10-6-2-3-7-18-10/h2-3,6-7H,1,4-5,8-9H2,(H2,17,21)(H,18,19,23)","""AuxInfo=1/1/N:20,11,10,19,21,12,9,18,22,7,3,14,2,16,4,15,1,8,6,13,23,17,5/E:(4,5)(8,9)/rA:23NCCCONCNCCCCNCClCNCCCCCN/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s3;d13;s14;s14;s16;s17;s18;s19;s20;s17s21;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-QHXGANMBRYMDOX_on_P41594_WT,Medium,ChEMBL30,CHEMBL359590,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2)c1,QHXGANMBRYMDOX,QHXGANMBRYMDOX-UHFFFAOYSA-N,InChI=1S/C18H12FN5/c19-15-10-14(13-6-2-1-3-7-13)11-16(12-15)24-22-18(21-23-24)17-8-4-5-9-20-17/h1-12H,"""AuxInfo=1/0/N:21,20,22,13,12,19,23,14,11,24,16,3,18,17,2,4,9,8,1,10,7,15,6,5/E:(2,3)(6,7)/rA:24FCCCNNNCCNCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-QHYFCCTYDPRQRM_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647566,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2OC)c1,QHYFCCTYDPRQRM,QHYFCCTYDPRQRM-UHFFFAOYSA-N,"InChI=1S/C23H23FN4O3S/c1-5-28-13-25-22-19(12-26-27-23(22)28)15-6-9-20(24)18(10-15)17-8-7-16(11-21(17)31-4)32(29,30)14(2)3/h6-14H,5H2,1-4H3","""AuxInfo=1/0/N:1,26,27,31,2,13,20,19,14,32,28,10,4,25,12,21,18,17,11,15,29,6,7,16,5,9,8,3,23,24,30,22/E:(2,3)(29,30)/CRV:32.6/rA:32CCNCNCCNNCCCCCCFCCCCCSOOCCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s25;s21;s18d28;s29;s30;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.930,7.93,0.0,0.0,1.0,7.93,0.0
-QIADWIHDXWIEST_on_Q14416_WT,High,ChEMBL30,CHEMBL3892611,CC(=O)c1c(O)c(C)c(OCc2ccc(Oc3cccc(-c4n[nH]nn4)c3)cc2)cc1,QIADWIHDXWIEST,QIADWIHDXWIEST-UHFFFAOYSA-N,"InChI=1S/C23H20N4O4/c1-14-21(11-10-20(15(2)28)22(14)29)30-13-16-6-8-18(9-7-16)31-19-5-3-4-17(12-19)23-24-26-27-25-23/h3-12,29H,13H2,1-2H3,(H,24,25,26,27)","""AuxInfo=1/1/N:8,1,19,20,18,13,29,14,28,31,30,27,11,7,2,12,21,15,17,4,9,5,22,23,26,24,25,3,6,10,16/E:(6,7)(8,9)(24,25)(26,27)/rA:31CCOCCOCCCOCCCCCOCCCCCCNNNNCCCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;d22;s23;s24;s22d25;s17d21;s15;s12d28;s9;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-QIBAVWGAZAWRRY_on_P31644_WT,High,ChEMBL30,CHEMBL3681611,O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,QIBAVWGAZAWRRY,QIBAVWGAZAWRRY-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O5/c20-15-4-1-12(2-5-15)18-14(11-28-23-18)10-27-17-6-3-13(7-21-17)19(26)22-16(8-24)9-25/h1-7,11,16,24-25H,8-10H2,(H,22,26)","""AuxInfo=1/1/N:21,26,10,22,25,11,28,5,7,14,16,20,9,15,23,4,12,19,2,24,27,3,18,6,8,1,13,17/E:(1,2)(4,5)(8,9)(24,25)/rA:28OCNCCOCOCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s4;s7;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-QIBOKJCYIWWNQT_on_P41594_WT,High,ChEMBL30,CHEMBL4068775,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1,QIBOKJCYIWWNQT,QIBOKJCYIWWNQT-UHFFFAOYSA-N,"InChI=1S/C23H20N2O2S/c1-17-11-13-19(14-12-17)28(26,27)22-16-24-21-10-6-5-9-20(21)23(22)25-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,24,23,25,15,14,22,26,16,13,3,28,4,27,20,10,2,21,5,17,12,9,18,11,19,7,8,6/E:(3,4)(7,8)(11,12)(13,14)(26,27)/CRV:28.6/rA:28CCCCCSOOCCNCCCCCCCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-QIHLUZAFSSMXHQ_on_O15399_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_O60391_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QIHLUZAFSSMXHQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL334491,CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1,QIHLUZAFSSMXHQ,QIHLUZAFSSMXHQ-UHFFFAOYSA-N,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,18,11,13,17,19,10,14,16,20,7,21,6,22,9,15,2,8,5/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22CCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s15d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-QILRYFCEXLFIDS_on_P14867_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641;CHEMBL3054755,PMID:11881985,2002.0,PMID:11881985;PMID:12747794;DOI:10.1007/s00044-004-0014-x,2002;2003;2004,0,0,0,1,0,,=,  7.700;  7.700;  7.700,7.7,0.0,0.0,3.0,7.7,0.0
-QILRYFCEXLFIDS_on_P18507_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL685340;CHEMBL680293;CHEMBL683015;CHEMBL681090;CHEMBL681641;CHEMBL685339;CHEMBL3054756;CHEMBL3054753;CHEMBL3054755;CHEMBL3054752;CHEMBL682253,PMID:11881985,2002.0,PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;PMID:12747794,2003;2002;2002;2002;2002;2003;2003;2004;2004;2004;2004;2003,0,0;0;0;0;0;0;0;0;0;0;1;0,0,1;1;1;1;1;1;1;1;1;1;0;1,0,,=,  7.800;  8.800;  7.700;  7.800;  7.700;  7.700;  8.800;  8.800;  7.800;  7.700;  9.150;  7.700,8.121,0.551,0.166,12.0,7.8,0.1
-QILRYFCEXLFIDS_on_P28472_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681090;CHEMBL683015;CHEMBL681641;CHEMBL685340;CHEMBL681405;CHEMBL685339;CHEMBL3054755;CHEMBL680293;CHEMBL3054754;CHEMBL3054753;CHEMBL3054756;CHEMBL3054752,PMID:11881985,2002.0,PMID:12747794;PMID:11881985;PMID:11881985;PMID:12747794;PMID:11881985;PMID:12747794;PMID:12747794;DOI:10.1007/s00044-004-0014-x;PMID:11881985;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x,2003;2002;2002;2003;2002;2003;2003;2004;2002;2004;2004;2004;2004,0,0;0;0;0;0;0;0;0;0;0;0;0;1,0,1;1;1;1;1;1;1;1;1;1;1;1;0,0,,=,  7.700;  7.700;  7.800;  7.700;  8.800;  7.800;  8.800;  7.700;  7.700;  7.700;  7.800;  8.800;  9.150,8.088,0.541,0.156,13.0,7.8,0.1
-QILRYFCEXLFIDS_on_P31644_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339;CHEMBL3054756;CHEMBL3054752;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;DOI:10.1007/s00044-004-0014-x;DOI:10.1007/s00044-004-0014-x;PMID:11881985,2003;2004;2004;2002,0,0;0;1;0,0,1;1;0;1,0,,=,  8.800;  8.800;  9.150;  8.800,8.888,0.152,0.087,4.0,8.8,0.0
-QILRYFCEXLFIDS_on_P34903_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL3054754;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;DOI:10.1007/s00044-004-0014-x;PMID:11881985,2003;2004;2002,0,0,0,1,0,,=,  7.700;  7.700;  7.700,7.7,0.0,0.0,3.0,7.7,0.0
-QILRYFCEXLFIDS_on_P47869_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL3054753;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;DOI:10.1007/s00044-004-0014-x;PMID:11881985,2003;2004;2002,0,0,0,1,0,,=,  7.800;  7.800;  7.800,7.8,0.0,0.0,3.0,7.8,0.0
-QILRYFCEXLFIDS_on_Q99928_WT,Low,ChEMBL30,CHEMBL17603,CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1,QILRYFCEXLFIDS,QILRYFCEXLFIDS-UHFFFAOYSA-N,"InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,11,18,10,21,4,20,5,7,14,15,8,2,16,12,6,19,9,13/E:(1,2)/rA:21CCCCCOCCSCCOSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;d17;s15s18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3054754,DOI:10.1007/s00044-004-0014-x,2004.0,DOI:10.1007/s00044-004-0014-x,2004,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QINFRKWSYLYDSI_on_P41594_WT,High,ChEMBL30,CHEMBL3702405,Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)c1,QINFRKWSYLYDSI,QINFRKWSYLYDSI-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-26-13-20(25-14-26)19-11-21-18-4-2-3-16(15-5-8-23-9-6-15)17(18)7-10-27(21)22(28)12-24-19/h2-6,8-9,11,13-14H,7,10,12H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,25,13,22,24,12,27,8,28,3,20,19,14,15,6,5,26,9,23,7,4,2,11,10/E:(5,6)(8,9)/rA:28CNCNCCNCCONCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-QINFRKWSYLYDSI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702405,Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)c1,QINFRKWSYLYDSI,QINFRKWSYLYDSI-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-26-13-20(25-14-26)19-11-21-18-4-2-3-16(15-5-8-23-9-6-15)17(18)7-10-27(21)22(28)12-24-19/h2-6,8-9,11,13-14H,7,10,12H2,1H3","""AuxInfo=1/0/N:1,17,18,16,21,25,13,22,24,12,27,8,28,3,20,19,14,15,6,5,26,9,23,7,4,2,11,10/E:(5,6)(8,9)/rA:28CNCNCCNCCONCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11s15;s6w?26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QIOAJXHUUWMBSP_on_P41594_WT,High,ChEMBL30,CHEMBL2151632,Cc1cccc(-c2noc(C3CCN3C(=O)c3ccccc3F)n2)c1,QIOAJXHUUWMBSP,QIOAJXHUUWMBSP-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-5-4-6-13(11-12)17-21-18(25-22-17)16-9-10-23(16)19(24)14-7-2-3-8-15(14)20/h2-8,11,16H,9-10H2,1H3","""AuxInfo=1/0/N:1,19,20,4,3,5,18,21,12,13,25,2,6,17,22,11,7,10,15,23,24,8,14,16,9/rA:25CCCCCCCNOCCCCNCOCCCCCCFNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s22;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-QIPCIFBOLGWWIG_on_P41594_WT,Medium,ChEMBL30,CHEMBL363013,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(F)cccc2)c1,QIPCIFBOLGWWIG,QIPCIFBOLGWWIG-UHFFFAOYSA-N,InChI=1S/C18H11F2N5/c19-13-9-12(15-5-1-2-6-16(15)20)10-14(11-13)25-23-18(22-24-25)17-7-3-4-8-21-17/h1-11H,"""AuxInfo=1/0/N:23,22,13,12,24,21,14,11,25,16,3,17,2,4,18,19,9,8,1,20,10,7,15,6,5/rA:25FCCCNNNCCNCCCCNCCCCFCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s19;d21;s22;s18d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-QIULADNIPAPHOG_on_O15399_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_O60391_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_Q05586_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_Q12879_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_Q13224_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIULADNIPAPHOG_on_Q14957_WT,Low,ChEMBL30,CHEMBL42176,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O,QIULADNIPAPHOG,QIULADNIPAPHOG-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O4/c10-2-1-3-4(6(12)5(2)11)8(15)7(14(17)18)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:9,10,8,7,12,14,4,5,17,11,13,15,16,2,6,18,1,3/E:(17,18)/CRV:14.5/rA:18ON+O-CCOCCCCClCClCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s14;s8;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QIVJNIYDUQGHJQ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118816;CHEMBL1951886,COc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1,QIVJNIYDUQGHJQ,QIVJNIYDUQGHJQ-UHFFFAOYSA-N,"InChI=1S/C19H16N4O2S/c1-25-13-6-4-12(5-7-13)23-9-8-14-15-17(22-11-2-3-11)20-10-21-18(15)26-16(14)19(23)24/h4-11H,2-3H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,18,19,5,25,4,26,9,8,21,17,6,3,10,14,11,15,13,23,20,22,16,7,24,2,12/E:(2,3)(4,5)(6,7)/rA:26COCCCCNCCCCSCCCNCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.824;  7.820,7.822,0.002,0.002,2.0,7.822,0.002
-QIWRIQRYIRGJCG_on_P14867_WT,Low,ChEMBL30,CHEMBL203769,FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,QIWRIQRYIRGJCG,QIWRIQRYIRGJCG-UHFFFAOYSA-N,"InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H","""AuxInfo=1/0/N:7,8,6,20,21,11,9,10,5,15,13,2,16,1,3,4,17,18,19,12,23,14,22/E:(14,15,16)(17,18,19)/rA:23FCFFCCCCCCCNCNCCFFFCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-QIWRIQRYIRGJCG_on_P18507_WT,Low,ChEMBL30,CHEMBL203769,FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,QIWRIQRYIRGJCG,QIWRIQRYIRGJCG-UHFFFAOYSA-N,"InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H","""AuxInfo=1/0/N:7,8,6,20,21,11,9,10,5,15,13,2,16,1,3,4,17,18,19,12,23,14,22/E:(14,15,16)(17,18,19)/rA:23FCFFCCCCCCCNCNCCFFFCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.510;  9.060,9.285,0.225,0.225,2.0,9.285,0.225
-QIWRIQRYIRGJCG_on_P28472_WT,Low,ChEMBL30,CHEMBL203769,FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,QIWRIQRYIRGJCG,QIWRIQRYIRGJCG-UHFFFAOYSA-N,"InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H","""AuxInfo=1/0/N:7,8,6,20,21,11,9,10,5,15,13,2,16,1,3,4,17,18,19,12,23,14,22/E:(14,15,16)(17,18,19)/rA:23FCFFCCCCCCCNCNCCFFFCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.510;  9.060,9.285,0.225,0.225,2.0,9.285,0.225
-QIWRIQRYIRGJCG_on_P34903_WT,Low,ChEMBL30,CHEMBL203769,FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,QIWRIQRYIRGJCG,QIWRIQRYIRGJCG-UHFFFAOYSA-N,"InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H","""AuxInfo=1/0/N:7,8,6,20,21,11,9,10,5,15,13,2,16,1,3,4,17,18,19,12,23,14,22/E:(14,15,16)(17,18,19)/rA:23FCFFCCCCCCCNCNCCFFFCCNN/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-QIZPCEVRKTWHIE_on_O00591_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_O14764_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_P14867_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075;CHEMBL678329,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  7.640;  8.680,8.16,0.52,0.52,2.0,8.16,0.52
-QIZPCEVRKTWHIE_on_P18505_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_P18507_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9435905,2000;2000;2000;2000;1997,0;0;0;0;1,0,0,1;1;1;1;0,0,,=,  8.680;  7.680;  7.800;  6.000;  7.640,7.56,0.868,0.434,5.0,7.68,0.12
-QIZPCEVRKTWHIE_on_P28472_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075;CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1997;2000;2000;2000;2000,1;0;0;0;0,0,0,0;1;1;1;1,0,,=,  7.640;  8.680;  6.000;  7.680;  7.800,7.56,0.868,0.434,5.0,7.68,0.12
-QIZPCEVRKTWHIE_on_P31644_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9435905,2000;1997,0;1,0,0,1;0,0,,=,  6.000;  7.640,6.82,0.82,0.82,2.0,6.82,0.82
-QIZPCEVRKTWHIE_on_P34903_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  7.640;  7.680,7.66,0.02,0.02,2.0,7.66,0.02
-QIZPCEVRKTWHIE_on_P47869_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075;CHEMBL681248,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  7.640;  7.800,7.72,0.08,0.08,2.0,7.72,0.08
-QIZPCEVRKTWHIE_on_P47870_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_P48169_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_P78334_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_Q16445_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QIZPCEVRKTWHIE_on_Q99928_WT,Low,ChEMBL30,CHEMBL69719,CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1,QIZPCEVRKTWHIE,QIZPCEVRKTWHIE-UHFFFAOYSA-N,"InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,14,15,3,13,16,18,8,12,17,11,6,9,4,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-QJBCFALTTSBEEO_on_P14867_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QJBCFALTTSBEEO_on_P18507_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.510;  7.720;  7.720;  7.800,7.688,0.10800000000000001,0.062,4.0,7.72,0.04
-QJBCFALTTSBEEO_on_P28472_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.510;  7.720;  7.800;  7.720,7.688,0.10800000000000001,0.062,4.0,7.72,0.04
-QJBCFALTTSBEEO_on_P31644_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-QJBCFALTTSBEEO_on_P34903_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QJBCFALTTSBEEO_on_P47869_WT,Low,ChEMBL30,CHEMBL299437,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1,QJBCFALTTSBEEO,QJBCFALTTSBEEO-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-16(9-3-1)19-23-24-20-17-10-4-5-11-18(17)21(25-26(19)20)27-14-15-7-6-12-22-13-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,23,3,26,14,11,21,19,17,18,4,9,10,5,8,15,20,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCCNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QJCLGXLWPYVAGP_on_P41594_WT,High,ChEMBL30,CHEMBL3910313,N#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1,QJCLGXLWPYVAGP,QJCLGXLWPYVAGP-UHFFFAOYSA-N,"InChI=1S/C26H17N3/c27-17-22-21(18-10-4-1-5-11-18)16-23-25(24(22)19-12-6-2-7-13-19)26(29-28-23)20-14-8-3-9-15-20/h1-16H,(H,28,29)","""AuxInfo=1/1/N:8,27,19,7,9,26,28,18,20,6,10,25,29,17,21,11,2,5,24,16,4,3,12,23,22,15,1,13,14/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29NCCCCCCCCCCCNNCCCCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s12s15;s3d22;s23;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-QJCQEAQHBMKTCT_on_O00591_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_O14764_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P14867_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P18505_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P18507_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P28472_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P31644_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P34903_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P47869_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P47870_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P48169_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_P78334_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_Q16445_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJCQEAQHBMKTCT_on_Q99928_WT,Low,ChEMBL30,CHEMBL88709,CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,QJCQEAQHBMKTCT,QJCQEAQHBMKTCT-UHFFFAOYSA-N,"InChI=1S/C17H22S2/c1-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(2,3)4/h7-10,15-16H,11-12H2,1-4H3","""AuxInfo=1/0/N:1,13,14,15,2,3,5,19,6,18,10,16,4,7,11,8,12,9,17/E:(2,3,4)(7,8)(9,10)(11,12)(18,19)/rA:19CCCCCCCCSCCCCCCCSCC/rB:s1;t2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;s12;s12;s11;s8s16;s7;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QJDIYMTUMQDQJB_on_P41594_WT,Low,ChEMBL30,CHEMBL1290009,CC(OCc1ccncc1)C(=O)N1CCC(c2c(F)cc(Cl)cc2)CC1,QJDIYMTUMQDQJB,QJDIYMTUMQDQJB-UHFFFAOYSA-N,"InChI=1S/C20H22ClFN2O2/c1-14(26-13-15-4-8-23-9-5-15)20(25)24-10-6-16(7-11-24)18-3-2-17(21)12-19(18)22/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3","""AuxInfo=1/0/N:1,23,24,6,10,15,25,7,9,14,26,20,4,2,5,16,21,17,18,11,22,19,8,13,12,3/E:(4,5)(6,7)(8,9)(10,11)/rA:26CCOCCCCNCCCONCCCCCFCCClCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;s13;s14;s15;s16;d17;s18;s18;d20;s21;s21;s17d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.602,4.602,0.0,0.0,1.0,4.602,0.0
-QJEFKTCXLNVCHX_on_O15399_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QJEFKTCXLNVCHX_on_O60391_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QJEFKTCXLNVCHX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QJEFKTCXLNVCHX_on_Q05586_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL750561;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800;  6.220;  4.520,5.847,0.968,0.684,3.0,6.22,0.58
-QJEFKTCXLNVCHX_on_Q12879_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.220;  6.800,6.51,0.29,0.29,2.0,6.51,0.29
-QJEFKTCXLNVCHX_on_Q13224_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800;  4.520,5.66,1.14,1.14,2.0,5.66,1.14
-QJEFKTCXLNVCHX_on_Q14957_WT,Low,ChEMBL30,CHEMBL12733,CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O,QJEFKTCXLNVCHX,QJEFKTCXLNVCHX-UHFFFAOYSA-N,"InChI=1S/C17H18N3O5P/c1-20(10-11-6-3-2-4-7-11)17(26(23,24)25)12-8-5-9-13-14(12)19-16(22)15(21)18-13/h2-9,17H,10H2,1H3,(H,18,21)(H,19,22)(H2,23,24,25)","""AuxInfo=1/1/N:1,7,6,8,13,5,9,12,14,3,4,11,15,22,17,19,10,16,21,2,18,20,24,25,26,23/E:(3,4)(6,7)(23,24,25)/rA:26CNCCCCCCCCCCCCCNCOCONCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;d11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s11s15d21;s10;d23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QJFJDPVDKZVXJG_on_P41594_WT,High,ChEMBL30,CHEMBL3671839,Cc1cccc(NC(=O)C23CCCC(NC(=O)c4nc(C)cs4)(CC2)C3)n1,QJFJDPVDKZVXJG,QJFJDPVDKZVXJG-UHFFFAOYSA-N,"InChI=1S/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)","""AuxInfo=1/1/N:1,21,4,12,3,5,11,13,25,24,22,26,2,20,6,16,18,8,10,14,27,19,7,15,17,9,23/rA:27CCCCCCNCOCCCCCNCOCNCCCSCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;s20;d20;s18s22;s14;s10s24;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706069;CHEMBL3706070,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,1;0,0,0,0;1,0,,=,  8.330;  7.190,7.76,0.57,0.57,2.0,7.76,0.57
-QJJGEKIKVXTVJR_on_Q14833_WT,High,ChEMBL30,CHEMBL4096136,ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(Br)cc2,QJJGEKIKVXTVJR,QJJGEKIKVXTVJR-UHFFFAOYSA-N,"InChI=1S/C18H11BrN2O2/c19-13-5-6-17-14(8-13)15(21-22)9-18(23-17)16-7-11-3-1-2-4-12(11)10-20-16/h1-10,22H","""AuxInfo=1/0/N:12,11,13,10,22,23,15,19,4,8,14,9,20,18,3,6,17,5,21,7,2,1,16/rA:23ONCCCCNCCCCCCCCOCCCCBrCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-QJMNBCZNCXOESN_on_P18507_WT,Low,ChEMBL30,CHEMBL396305,CCCc1c(C)n(-c2c(Br)cc(C(F)(F)F)cc2Br)nn1,QJMNBCZNCXOESN,QJMNBCZNCXOESN-UHFFFAOYSA-N,"InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCBrCCCFFFCCBrNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QJMNBCZNCXOESN_on_P28472_WT,High,ChEMBL30,CHEMBL396305,CCCc1c(C)n(-c2c(Br)cc(C(F)(F)F)cc2Br)nn1,QJMNBCZNCXOESN,QJMNBCZNCXOESN-UHFFFAOYSA-N,"InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCBrCCCFFFCCBrNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-QJMNBCZNCXOESN_on_P47869_WT,Low,ChEMBL30,CHEMBL396305,CCCc1c(C)n(-c2c(Br)cc(C(F)(F)F)cc2Br)nn1,QJMNBCZNCXOESN,QJMNBCZNCXOESN-UHFFFAOYSA-N,"InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCBrCCCFFFCCBrNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QJMNBCZNCXOESN_on_P47870_WT,Low,ChEMBL30,CHEMBL396305,CCCc1c(C)n(-c2c(Br)cc(C(F)(F)F)cc2Br)nn1,QJMNBCZNCXOESN,QJMNBCZNCXOESN-UHFFFAOYSA-N,"InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCBrCCCFFFCCBrNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QJOYDDMMTZFLSQ_on_P41594_WT,High,ChEMBL30,CHEMBL380237,Cc1cccc(C#CC(C)Sc2cc(Cl)ccc2)n1,QJOYDDMMTZFLSQ,QJOYDDMMTZFLSQ-UHFFFAOYSA-N,"InChI=1S/C16H14ClNS/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3","""AuxInfo=1/0/N:1,10,4,17,3,16,5,18,8,7,13,2,9,14,6,12,15,19,11/rA:19CCCCCCCCCCSCCCClCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s9;s11;d12;s13;s14;d14;s16;s12d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-QJSZOUUCMJZSLH_on_P41594_WT,High,ChEMBL30,CHEMBL3935440,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cc(F)cc(F)c2)O1,QJSZOUUCMJZSLH,QJSZOUUCMJZSLH-UHFFFAOYSA-N,"InChI=1S/C20H14F4N2O2/c21-15-4-13(5-16(22)6-15)18-17(26-19(27)28-18)14-3-11(9-25-10-14)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)","""AuxInfo=1/1/N:8,9,6,21,27,24,11,15,16,18,7,10,20,5,22,25,4,19,2,12,23,26,13,14,17,3,1,28/E:(4,5)(7,8)(15,16)(21,22)(23,24)/rA:28OCNCCCCCCCCCFFCCNCCCCCFCCFCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;s22;d22;s24;s25;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-QJUCVRVRFWBVTF_on_Q14833_WT,High,ExCAPE-DB,2306530,O=C(Nc1cc(C(F)(F)F)ccc1)c1ccccn1,QJUCVRVRFWBVTF,QJUCVRVRFWBVTF-UHFFFAOYSA-N,"InChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)","""AuxInfo=1/1/N:16,17,12,11,13,15,18,5,6,4,14,2,7,8,9,10,19,3,1/E:(14,15,16)/rA:19OCNCCCCFFFCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2180,PMID:19469556,2009.0,PubChemAID:2180,2009,0,0,0,0,1,,=, 11.730,11.73,0.0,0.0,1.0,11.73,0.0
-QJVGFTISUPPDKL_on_P41594_WT,Low,ChEMBL30,CHEMBL2069372,Cc1nc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1,QJVGFTISUPPDKL,QJVGFTISUPPDKL-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c1-11-3-2-4-15(20-11)17-21-18(25-22-17)12-9-16(24)23(10-12)14-7-5-13(19)6-8-14/h2-8,12H,9-10H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,19,15,20,10,21,2,9,17,14,4,11,5,8,18,3,22,6,13,12,7/E:(5,6)(7,8)/rA:25CCNCCNOCCCCONCCCCFCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9s13;s5d8;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QJWNABRYUWESMF_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799657,CCN(Cc1cc(=O)n2c(C3CC3CO)c(C)sc2n1)c1ccc(F)cc1,QJWNABRYUWESMF,QJWNABRYUWESMF-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O2S/c1-3-23(16-6-4-14(21)5-7-16)10-15-9-18(26)24-19(17-8-13(17)11-25)12(2)27-20(24)22-15/h4-7,9,13,17,25H,3,8,10-11H2,1-2H3","""AuxInfo=1/0/N:1,17,2,23,26,22,27,12,6,4,14,16,13,24,5,21,11,7,10,19,25,20,3,9,15,8,18/E:(4,5)(6,7)/rA:27CCNCCCCONCCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11s12;s13;s14;d10;s16;s16;s9s18;s5d19;s3;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-QJWNABRYUWESMF_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799657,CCN(Cc1cc(=O)n2c(C3CC3CO)c(C)sc2n1)c1ccc(F)cc1,QJWNABRYUWESMF,QJWNABRYUWESMF-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O2S/c1-3-23(16-6-4-14(21)5-7-16)10-15-9-18(26)24-19(17-8-13(17)11-25)12(2)27-20(24)22-15/h4-7,9,13,17,25H,3,8,10-11H2,1-2H3","""AuxInfo=1/0/N:1,17,2,23,26,22,27,12,6,4,14,16,13,24,5,21,11,7,10,19,25,20,3,9,15,8,18/E:(4,5)(6,7)/rA:27CCNCCCCONCCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11s12;s13;s14;d10;s16;s16;s9s18;s5d19;s3;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-QJXIDTTUEDFZFY_on_P41594_WT,High,ChEMBL30,CHEMBL4089073,O=c1cc(OCc2cccc(Cl)c2)nc2ccccn12,QJXIDTTUEDFZFY,QJXIDTTUEDFZFY-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h1-9H,10H2","""AuxInfo=1/0/N:17,18,9,8,10,16,19,13,3,6,7,11,15,4,2,12,14,20,1,5/rA:20OCCCOCCCCCCClCNCCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;d14;s15;d16;s17;d18;s2s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-QJYIQLHQBGFHDL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546044;CHEMBL3087507,Cc1cc(C#CC2(O)CC3CCC(C2)N3c2c(C#N)cccn2)ccc1,QJYIQLHQBGFHDL,QJYIQLHQBGFHDL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O/c1-16-4-2-5-17(12-16)9-10-22(26)13-19-7-8-20(14-22)25(19)21-18(15-23)6-3-11-24-21/h2-6,11-12,19-20,26H,7-8,13-14H2,1H3","""AuxInfo=1/0/N:1,25,21,26,24,20,11,12,5,6,22,3,9,14,18,2,4,17,10,13,16,7,19,23,15,8/E:(7,8)(13,14)(19,20)/rA:26CCCCCCCOCCCCCCNCCCNCCCNCCC/rB:s1;d2;s3;s4;t5;s6;s7;s7;s9;s10;s11;s12;s7s13;s10s13;s15;d16;s17;t18;s17;d20;s21;s16d22;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.770;  6.770,6.77,0.0,0.0,2.0,6.77,0.0
-QJZICCOASBPSNF_on_P14867_WT,Low,ChEMBL30,CHEMBL1814294,CCCCC=CCc1cc(-c2cc(CC=CCCCC)c(OC)cc2)c(O)cc1,QJZICCOASBPSNF,QJZICCOASBPSNF-UHFFFAOYSA-N,"InChI=1S/C27H36O2/c1-4-6-8-10-12-14-22-16-18-26(28)25(20-22)23-17-19-27(29-3)24(21-23)15-13-11-9-7-5-2/h10-13,16-21,28H,4-9,14-15H2,1-3H3","""AuxInfo=1/0/N:1,20,23,2,19,3,18,4,17,5,16,6,15,7,14,29,25,28,24,9,12,8,11,13,10,26,21,27,22/rA:29CCCCCCCCCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;w?5;s6;s7;d8;s9;s10;d11;s12;s13;s14;w?15;s16;s17;s18;s19;d13;s21;s22;s21;s11d24;d10;s26;s26;s8d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-QJZICCOASBPSNF_on_P47870_WT,Low,ChEMBL30,CHEMBL1814294,CCCCC=CCc1cc(-c2cc(CC=CCCCC)c(OC)cc2)c(O)cc1,QJZICCOASBPSNF,QJZICCOASBPSNF-UHFFFAOYSA-N,"InChI=1S/C27H36O2/c1-4-6-8-10-12-14-22-16-18-26(28)25(20-22)23-17-19-27(29-3)24(21-23)15-13-11-9-7-5-2/h10-13,16-21,28H,4-9,14-15H2,1-3H3","""AuxInfo=1/0/N:1,20,23,2,19,3,18,4,17,5,16,6,15,7,14,29,25,28,24,9,12,8,11,13,10,26,21,27,22/rA:29CCCCCCCCCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;w?5;s6;s7;d8;s9;s10;d11;s12;s13;s14;w?15;s16;s17;s18;s19;d13;s21;s22;s21;s11d24;d10;s26;s26;s8d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-QKHXQXHPUBWGJS_on_P41594_WT,Low,ChEMBL30,CHEMBL201101,COC(=O)Nc1nc(C#Cc2cnccc2)cs1,QKHXQXHPUBWGJS,QKHXQXHPUBWGJS-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2S/c1-17-12(16)15-11-14-10(8-18-11)5-4-9-3-2-6-13-7-9/h2-3,6-8H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,15,16,10,9,14,12,17,11,8,6,3,13,7,5,4,2,18/rA:18COCONCNCCCCCNCCCCS/rB:s1;s2;d3;s3;s5;d6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;d8;s6s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QKIWQBLNTSQOLY_on_P14867_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002;CHEMBL919087,PMID:16279764,2005.0,PMID:16392789;PMID:16279764,2006;2005,0,0,0,1,0,,=,  9.590;  9.570,9.58,0.01,0.01,2.0,9.58,0.01
-QKIWQBLNTSQOLY_on_P18507_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919089;CHEMBL919088;CHEMBL919087;CHEMBL864003;CHEMBL864002;CHEMBL864005;CHEMBL864004,PMID:16279764,2005.0,PMID:16279764;PMID:16279764;PMID:16279764;PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789,2005;2005;2005;2006;2006;2006;2006,0,0,0,1,0,,=,  9.700;  9.510;  9.570;  9.520;  9.590;  9.700;  9.520,9.587,0.076,0.031,7.0,9.57,0.05
-QKIWQBLNTSQOLY_on_P28472_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919089;CHEMBL919087;CHEMBL919088;CHEMBL864003;CHEMBL864004;CHEMBL864005;CHEMBL864002,PMID:16279764,2005.0,PMID:16279764;PMID:16279764;PMID:16279764;PMID:16392789;PMID:16392789;PMID:16392789;PMID:16392789,2005;2005;2005;2006;2006;2006;2006,0,0,0,1,0,,=,  9.700;  9.570;  9.510;  9.520;  9.520;  9.700;  9.590,9.587,0.076,0.031,7.0,9.57,0.05
-QKIWQBLNTSQOLY_on_P31644_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-QKIWQBLNTSQOLY_on_P34903_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004;CHEMBL919089,PMID:16279764,2005.0,PMID:16392789;PMID:16279764,2006;2005,0,0,0,1,0,,=,  9.520;  9.700,9.61,0.09,0.09,2.0,9.61,0.09
-QKIWQBLNTSQOLY_on_P47869_WT,Low,ChEMBL30,CHEMBL200177,CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C,QKIWQBLNTSQOLY,QKIWQBLNTSQOLY-UHFFFAOYSA-N,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,27,28,29,2,19,18,20,17,24,8,5,14,25,15,23,7,13,10,26,16,6,4,22,21,11,3,12,9/E:(2,3,4)/rA:29CCNNCNCCOCNNCCCFCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s12d22;s23;s10d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088;CHEMBL864003,PMID:16279764,2005.0,PMID:16279764;PMID:16392789,2005;2006,0,0,0,1,0,,=,  9.510;  9.520,9.515,0.005,0.005,2.0,9.515,0.005
-QKIYALGAWYXWIS_on_P31644_WT,High,ChEMBL30,CHEMBL3676519,Cc1cc(C(=O)NC(C)C)cnc1OCc1c(C)onc1-c1ccccc1,QKIYALGAWYXWIS,QKIYALGAWYXWIS-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-13(2)23-20(25)17-10-14(3)21(22-11-17)26-12-18-15(4)27-24-19(18)16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,23,25)","""AuxInfo=1/1/N:9,10,1,18,25,24,26,23,27,3,11,15,8,2,17,22,4,16,21,5,13,12,7,20,6,14,19/E:(1,2)(6,7)(8,9)/rA:27CCCCCONCCCCNCOCCCCONCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s8;d4;s11;s2d12;s13;s14;s15;d16;s17;s17;s19;s16d20;s21;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.530,8.53,0.0,0.0,1.0,8.53,0.0
-QKLYTDIWHVRIFT_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL567673;16661729,CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1,QKLYTDIWHVRIFT,QKLYTDIWHVRIFT-UHFFFAOYSA-N,"InChI=1S/C18H16FN3OS/c1-2-11-22(17(23)13-6-8-14(19)9-7-13)18-21-16(12-24-18)15-5-3-4-10-20-15/h3-10,12H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,19,20,18,8,13,9,12,21,3,23,7,10,17,16,5,14,11,22,15,4,6,24/E:(6,7)(8,9)/rA:24CCCNCOCCCCFCCCNCCCCCCNCS/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s10;s7d12;s4;d14;s15;s16;d17;s18;d19;s20;s17d21;d16;s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  7.090;  7.092,7.091,0.001,0.001,2.0,7.091,0.001
-QKMJZJZVEZUPEA_on_Q14416_WT,High,ChEMBL30,CHEMBL188455,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCOc1ccc(-c2n[nH]nn2)cc1,QKMJZJZVEZUPEA,QKMJZJZVEZUPEA-UHFFFAOYSA-N,"InChI=1S/C25H31N5O2/c1-5-6-21-20-13-14-30(17-25(2,3)4)22(20)11-12-23(21)32-16-15-31-19-9-7-18(8-10-19)24-26-28-29-27-24/h7-14H,5-6,15-17H2,1-4H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,11,12,13,2,3,24,31,23,32,15,16,6,7,20,19,9,25,22,5,4,14,17,26,10,27,30,28,29,8,21,18/E:(2,3,4)(7,8)(9,10)(26,27)(28,29)/rA:32CCCCCCCNCCCCCCCCCOCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;d22;s23;d24;s25;d26;s27;s28;s26d29;s25;s22d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-QKMNGPKHYFWMIR_on_P31644_WT,High,ChEMBL30,CHEMBL3675679,Cc1c(C(=O)NC(C)C)sc(C=Cc2c(-c3ccc(F)cc3)nnn2C)n1,QKMNGPKHYFWMIR,QKMNGPKHYFWMIR-UHFFFAOYSA-N,"InChI=1S/C19H20FN5OS/c1-11(2)21-19(26)18-12(3)22-16(27-18)10-9-15-17(23-24-25(15)4)13-5-7-14(20)8-6-13/h5-11H,1-4H3,(H,21,26)","""AuxInfo=1/1/N:8,9,1,26,17,22,18,21,13,12,7,2,16,19,14,11,15,3,4,20,6,27,23,24,25,5,10/E:(1,2)(5,6)(7,8)/rA:27CCCCONCCCSCCCCCCCCCFCCNNNCN/rB:s1;d2;s3;d4;s4;s6;s7;s7;s3;s10;s11;w?12;s13;d14;s15;d16;s17;d18;s19;s19;s16d21;s15;d23;s14s24;s25;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-QKNHYBFJWAQDHZ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2112964;11174504,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1F,QKNHYBFJWAQDHZ,QKNHYBFJWAQDHZ-UHFFFAOYSA-N,"InChI=1S/C19H22FNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,17,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,22,23,21,11,16/E:(4,5)(7,8)/rA:23CCCCCCCCCCOCCCCOCCCCNCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  8.050;  8.046,8.048,0.002,0.002,2.0,8.048,0.002
-QKOZZGYMABSUDE_on_O15399_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QKOZZGYMABSUDE_on_O60391_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QKOZZGYMABSUDE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QKOZZGYMABSUDE_on_Q05586_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL750561;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960;  6.100;  5.210,5.757000000000001,0.391,0.276,3.0,5.96,0.14
-QKOZZGYMABSUDE_on_Q12879_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960;  6.100,6.03,0.07,0.07,2.0,6.03,0.07
-QKOZZGYMABSUDE_on_Q13224_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746993;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.210;  5.960,5.585,0.375,0.375,2.0,5.585,0.375
-QKOZZGYMABSUDE_on_Q14957_WT,Low,ChEMBL30,CHEMBL12728,CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O,QKOZZGYMABSUDE,QKOZZGYMABSUDE-UHFFFAOYSA-N,"InChI=1S/C10H12N3O5P/c1-11-10(19(16,17)18)5-3-2-4-6-7(5)13-9(15)8(14)12-6/h2-4,10-11H,1H3,(H,12,14)(H,13,15)(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,13,4,12,5,9,7,3,2,11,6,10,8,17,18,19,16/E:(16,17,18)/rA:19CNCCCNCOCONCCCCPOOO/rB:s1;s2;s3;d4;s5;d6;s7;s7;s9;d9;s5s11;d12;s13;s4d14;s3;d16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QKTWXIVEHVZYMX_on_P41594_WT,High,ChEMBL30,CHEMBL3958059,CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)n1,QKTWXIVEHVZYMX,QKTWXIVEHVZYMX-UHFFFAOYSA-N,"InChI=1S/C17H14ClN7O3/c1-9(14-20-16(28-24-14)10-4-3-5-12(18)6-10)27-17-23-22-15(25(17)2)11-7-13(26)21-19-8-11/h3-9H,1-2H3,(H,21,26)","""AuxInfo=1/1/N:1,16,26,27,25,22,14,9,2,21,8,23,12,17,7,20,4,24,10,28,11,6,5,18,15,13,3,19/rA:28CCOCNNCCCNNCOCNCCNOCCCCClCCCN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-QKWIPFQYVMSHKA_on_O15399_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4385769,PMID:30884327,2019.0,PMID:30884327,2019,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-QKWIPFQYVMSHKA_on_O60391_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4385769,PMID:30884327,2019.0,PMID:30884327,2019,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-QKWIPFQYVMSHKA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4385769,PMID:30884327,2019.0,PMID:30884327,2019,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-QKWIPFQYVMSHKA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4385769;CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,PMID:30884327;DOI:10.1039/C4MD00069B,2019;2014,1,0,0,0,0,,=,  4.960;  4.960,4.96,0.0,0.0,2.0,4.96,0.0
-QKWIPFQYVMSHKA_on_Q12879_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4385769;CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,PMID:30884327;DOI:10.1039/C4MD00069B,2019;2014,1,0,0,0,0,,=,  4.960;  4.960,4.96,0.0,0.0,2.0,4.96,0.0
-QKWIPFQYVMSHKA_on_Q13224_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4385769,PMID:30884327,2019.0,PMID:30884327,2019,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-QKWIPFQYVMSHKA_on_Q14957_WT,Low,ChEMBL30,CHEMBL3585374,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,QKWIPFQYVMSHKA,QKWIPFQYVMSHKA-UHFFFAOYSA-N,"InChI=1S/C30H38N4/c1-21-7-9-27-23(17-21)25-19-33(15-11-29(25)31-27)13-5-3-4-6-14-34-16-12-30-26(20-34)24-18-22(2)8-10-28(24)32-30/h7-10,17-18,31-32H,3-6,11-16,19-20H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,14,17,7,28,6,27,34,21,13,18,33,20,3,31,11,24,2,29,4,25,10,23,5,26,9,22,8,32,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34CCCCCCCNCCCNCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s19s23;s23;d25;s26;d27;s28;s29;s25d29;s22s26;s12;s9s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4385769,PMID:30884327,2019.0,PMID:30884327,2019,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-QKWVBBLVGAJHMD_on_P41594_WT,High,ChEMBL30,CHEMBL3634189,CC(=O)N1CCCc2nc(COc3ccccc3)cn21,QKWVBBLVGAJHMD,QKWVBBLVGAJHMD-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-9-5-8-15-16-13(10-18(15)17)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,7,5,19,11,2,10,13,8,9,4,20,3,12/E:(3,4)(6,7)/rA:20CCONCCCCNCCOCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s8s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-QKXVLCDXRQTXMX_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70683529;CHEMBL2023622,CN(C)C(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,QKXVLCDXRQTXMX,QKXVLCDXRQTXMX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,8,9,23,24,27,22,13,12,15,7,11,10,26,4,25,21,2,14,5,6/E:(1,2)(4,5)(6,7)/rA:27CNCCOOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;d11;s23;d24;s10s25;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  6.022;  6.020,6.021,0.001,0.001,2.0,6.021,0.001
-QKZNNAUSAVZXNE_on_O00591_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_O14764_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P14867_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P18505_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P18507_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P28472_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P31644_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P34903_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P47869_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P47870_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P48169_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_P78334_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_Q16445_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QKZNNAUSAVZXNE_on_Q99928_WT,Low,ChEMBL30,CHEMBL55412,O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2,QKZNNAUSAVZXNE,QKZNNAUSAVZXNE-UHFFFAOYSA-N,InChI=1S/C15H8FNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H,"""AuxInfo=1/0/N:12,13,11,20,21,6,17,3,5,18,7,16,2,15,4,19,8,1,9,10,14/E:(19,20)/CRV:17.5/rA:21OCCCCCCN+OO-CCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s8;d7;s11;s5d12;s4;s14;s2d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-QLBRKEIFTLOTOG_on_Q13255_WT,High,ChEMBL30,CHEMBL2397349;CHEMBL2397348;CHEMBL2397349;CHEMBL2397348,CC1CN(c2ccccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,QLBRKEIFTLOTOG,QLBRKEIFTLOTOG-UHFFFAOYSA-N,"InChI=1S/C21H29N3O/c1-15-14-23(19-4-2-3-5-22-19)6-7-24(15)20(25)21-11-16-8-17(12-21)10-18(9-16)13-21/h2-5,15-18H,6-14H2,1H3","""AuxInfo=1/0/N:1,7,8,6,9,11,12,19,21,23,25,17,24,3,2,20,18,22,5,14,16,10,4,13,15/E:(8,9,10)(11,12,13)(16,17,18)/rA:25CCCNCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.790;  5.620;  6.790;  5.620,6.205,0.585,0.33799999999999997,4.0,6.205,0.585
-QLIGLWCIUGCMOC_on_P41594_WT,Low,ChEMBL30,CHEMBL4242192,C#CCCC(=O)Nc1ccc(CCN(CCC)C2CCc3c(cccc3O)C2)cc1,QLIGLWCIUGCMOC,QLIGLWCIUGCMOC-UHFFFAOYSA-N,"InChI=1S/C26H32N2O2/c1-3-5-9-26(30)27-22-12-10-20(11-13-22)16-18-28(17-4-2)23-14-15-24-21(19-23)7-6-8-25(24)29/h1,6-8,10-13,23,29H,4-5,9,14-19H2,2H3,(H,27,30)","""AuxInfo=1/1/N:1,17,2,16,3,24,23,25,4,10,29,9,30,19,20,12,15,13,28,11,22,8,18,21,26,5,7,14,27,6/E:(10,11)(12,13)/rA:30CCCCCONCCCCCCNCCCCCCCCCCCCOCCC/rB:t1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;s13;s14;s15;s16;s14;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s18s22;s11;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236722,PMID:30180563,2018.0,PMID:30180563,2018,0,1,0,0,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-QLIWWVUNCSAZFQ_on_P41594_WT,High,ChEMBL30,CHEMBL3896238,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2ccc(Cl)cc2)O1,QLIWWVUNCSAZFQ,QLIWWVUNCSAZFQ-UHFFFAOYSA-N,"InChI=1S/C20H15ClF2N2O2/c21-16-5-3-14(4-6-16)18-17(25-19(26)27-18)15-7-12(10-24-11-15)1-2-13-8-20(22,23)9-13/h3-7,10-11,13,17-18H,8-9H2,(H,25,26)","""AuxInfo=1/1/N:8,9,21,26,22,25,6,11,15,16,18,7,10,20,5,23,4,19,2,12,24,13,14,17,3,1,27/E:(3,4)(5,6)(8,9)(22,23)/rA:27OCNCCCCCCCCCFFCCNCCCCCCClCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;d22;s23;s23;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  6.700;  7.750,7.225,0.525,0.525,2.0,7.225,0.525
-QLJXPWQJEPOAOB_on_P14867_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QLJXPWQJEPOAOB_on_P18507_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.700;  6.500;  6.820,7.007000000000001,0.507,0.359,3.0,6.82,0.32
-QLJXPWQJEPOAOB_on_P28472_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.820;  7.700;  6.500,7.007000000000001,0.507,0.359,3.0,6.82,0.32
-QLJXPWQJEPOAOB_on_P31644_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QLJXPWQJEPOAOB_on_P34903_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-QLJXPWQJEPOAOB_on_P47869_WT,Low,ChEMBL30,CHEMBL368905,c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1,QLJXPWQJEPOAOB,QLJXPWQJEPOAOB-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-2-10-24-17(3-1)13-29-22-19-15-6-4-14(5-7-15)18(19)21-26-25-20(28(21)27-22)16-8-11-23-12-9-16/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:29,1,28,24,26,23,27,12,16,2,13,15,5,25,22,11,4,20,21,10,19,7,14,3,17,18,8,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29CCNCCOCNNCCCCNCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-QLKCCYTUPSTQSQ_on_Q13224_WT,High,ChEMBL30,CHEMBL217904,COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,QLKCCYTUPSTQSQ,QLKCCYTUPSTQSQ-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-25-17-5-3-16(4-6-17)14-26-19(24)23-11-7-15(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,20,5,25,4,26,13,23,19,21,12,24,15,7,14,6,3,17,9,18,22,16,11,10,2,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(20,21)/rA:26COCCCCCOCONCCCCNCNCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-QLLPBWZUVBBUMA_on_P31644_WT,High,ChEMBL30,CHEMBL3676495,Cc1c(COc2ccc(C(=O)NC3CCCN(CC(=O)NC4CC4)C3)cn2)c(-c2ccccc2)no1,QLLPBWZUVBBUMA,QLLPBWZUVBBUMA-UHFFFAOYSA-N,"InChI=1S/C27H31N5O4/c1-18-23(26(31-36-18)19-6-3-2-4-7-19)17-35-25-12-9-20(14-28-25)27(34)30-22-8-5-13-32(15-22)16-24(33)29-21-10-11-21/h2-4,6-7,9,12,14,21-22H,5,8,10-11,13,15-17H2,1H3,(H,29,33)(H,30,34)","""AuxInfo=1/1/N:1,32,31,33,15,30,34,14,8,23,24,7,16,26,25,18,4,2,29,9,22,13,3,19,6,28,10,27,21,12,35,17,20,11,5,36/E:(3,4)(6,7)(10,11)/rA:36CCCCOCCCCCONCCCCNCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;s22s23;s13s17;s9;s6d26;s3;s28;d29;s30;d31;s32;s29d33;d28;s2s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.910,7.91,0.0,0.0,1.0,7.91,0.0
-QLNADLCRRYZRHE_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606091,CC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CC)c2,QLNADLCRRYZRHE,QLNADLCRRYZRHE-UHFFFAOYSA-N,"InChI=1S/C35H42N4/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3/q+2","""AuxInfo=1/0/N:1,38,2,37,20,19,21,18,22,13,29,12,28,17,23,14,30,11,27,5,34,16,24,4,35,8,39,9,31,7,32,10,26,6,33,3,36,15,25/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/CRV:36+1,37+1/rA:39CCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s9d13;s6s10;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s36;s37;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.580;  6.230,5.905,0.325,0.325,2.0,5.905,0.325
-QLNADLCRRYZRHE_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606091,CC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CC)c2,QLNADLCRRYZRHE,QLNADLCRRYZRHE-UHFFFAOYSA-N,"InChI=1S/C35H42N4/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3/q+2","""AuxInfo=1/0/N:1,38,2,37,20,19,21,18,22,13,29,12,28,17,23,14,30,11,27,5,34,16,24,4,35,8,39,9,31,7,32,10,26,6,33,3,36,15,25/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/CRV:36+1,37+1/rA:39CCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s9d13;s6s10;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s36;s37;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-QLNADLCRRYZRHE_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606091,CC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CC)c2,QLNADLCRRYZRHE,QLNADLCRRYZRHE-UHFFFAOYSA-N,"InChI=1S/C35H42N4/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3/q+2","""AuxInfo=1/0/N:1,38,2,37,20,19,21,18,22,13,29,12,28,17,23,14,30,11,27,5,34,16,24,4,35,8,39,9,31,7,32,10,26,6,33,3,36,15,25/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/CRV:36+1,37+1/rA:39CCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s9d13;s6s10;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s31;s25d32;s33;d34;s35;s36;s37;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-QLNMGDBQBWVIHV_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684107,O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CCN1CCC1,QLNMGDBQBWVIHV,QLNMGDBQBWVIHV-UHFFFAOYSA-N,"InChI=1S/C22H22N2O/c25-22-21-10-9-19(8-7-18-5-2-1-3-6-18)17-20(21)11-14-24(22)16-15-23-12-4-13-23/h1-3,5-6,9-10,17H,4,11-16H2","""AuxInfo=1/0/N:12,11,13,24,10,14,8,7,15,16,17,23,25,18,21,20,5,9,6,4,3,2,22,19,1/E:(2,3)(5,6)(12,13)/rA:25OCCCCCCCCCCCCCCCCCNCCNCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;s17;s2s18;s19;s20;s21;s22;s23;s22s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-QLTCKDVHRJIRHT_on_Q14416_WT,High,ChEMBL30,CHEMBL3765778,Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C,QLTCKDVHRJIRHT,QLTCKDVHRJIRHT-UHFFFAOYSA-N,"InChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3","""AuxInfo=1/0/N:1,25,26,27,7,8,19,3,4,13,14,10,23,2,5,11,12,15,16,20,24,6,17,18,22,21,9/E:(2,3,4)(5,6)/rA:27CCCCCCCCOCCCCCCCNNCCONCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s6;s5;s2d10;s11;d12;s13;d14;s15;s12d16;s16;s18;s18;d20;s15s20;s22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550;CHEMBL3769222;CHEMBL3766106,PMID:26810316,2016.0,PMID:26985321;PMID:26810316;PMID:26810316,2016,0,1,0,0,0,,=,  7.200;  6.220;  7.210,6.877000000000001,0.46399999999999997,0.32799999999999996,3.0,7.2,0.01
-QLWLWJVOROKYAO_on_P14867_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.560;  6.560,6.56,0.0,0.0,2.0,6.56,0.0
-QLWLWJVOROKYAO_on_P18507_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  6.520;  7.640;  6.470;  6.410;  6.560;  6.520;  6.560;  6.410;  7.640;  6.470,6.72,0.46299999999999997,0.154,10.0,6.52,0.05
-QLWLWJVOROKYAO_on_P28472_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL683047;CHEMBL682251;CHEMBL678329;CHEMBL681248;CHEMBL683045;CHEMBL822165;CHEMBL685338;CHEMBL681480;CHEMBL824296,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648,1998;1998;2000;2000;2000;2000;1998;1998;2000;1998,0,0,0,1,0,,=,  6.470;  6.520;  6.470;  6.560;  6.410;  6.520;  6.560;  7.640;  7.640;  6.410,6.72,0.46299999999999997,0.154,10.0,6.52,0.05
-QLWLWJVOROKYAO_on_P31644_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.640;  7.640,7.64,0.0,0.0,2.0,7.64,0.0
-QLWLWJVOROKYAO_on_P34903_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.470;  6.470,6.47,0.0,0.0,2.0,6.47,0.0
-QLWLWJVOROKYAO_on_P47869_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.410;  6.410,6.41,0.0,0.0,2.0,6.41,0.0
-QLWLWJVOROKYAO_on_Q16445_WT,Low,ChEMBL30,CHEMBL335960,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O,QLWLWJVOROKYAO,QLWLWJVOROKYAO-UHFFFAOYSA-N,"InChI=1S/C23H29N3O3Si/c1-23(2,3)29-22(28)20-19-14-25(4)21(27)17-13-16(9-8-12-30(5,6)7)10-11-18(17)26(19)15-24-20/h10-11,13,15H,12,14H2,1-7H3","""AuxInfo=1/0/N:10,11,12,1,24,25,26,21,20,27,28,22,18,3,14,19,17,16,4,5,29,6,9,13,2,15,30,7,8,23/E:(1,2,3)(5,6,7)/rA:30CNCCCCOOCCCCNCNCCCCCCCSiCCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;t20;s21;s22;s23;s23;s23;s19;s16d27;s2s17;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.520;  6.520,6.52,0.0,0.0,2.0,6.52,0.0
-QLWMJSFCHZCXRN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL383771;11637242,Cc1nc(C#Cc2c(Cl)nccc2)cs1,QLWMJSFCHZCXRN,QLWMJSFCHZCXRN-UHFFFAOYSA-N,"InChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)5-4-9-3-2-6-13-11(9)12/h2-3,6-7H,1H3","""AuxInfo=1/0/N:1,12,13,6,5,11,14,2,7,4,8,9,10,3,15/rA:15CCNCCCCCClNCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s8;d10;s11;s7d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  7.340;  7.342,7.341,0.001,0.001,2.0,7.341,0.001
-QLYKEFWGLJXAMU_on_P31644_WT,High,ChEMBL30,CHEMBL3681583,Cc1c(COc2ccc(C(=O)NC(C)C(F)(F)F)cn2)c(-c2ccc(F)cn2)no1,QLYKEFWGLJXAMU,QLYKEFWGLJXAMU-UHFFFAOYSA-N,"InChI=1S/C19H16F4N4O3/c1-10-14(17(27-30-10)15-5-4-13(20)8-24-15)9-29-16-6-3-12(7-25-16)18(28)26-11(2)19(21,22)23/h3-8,11H,9H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,14,8,24,23,7,19,27,4,2,13,9,25,3,22,6,21,10,15,26,16,17,18,28,20,12,29,11,5,30/E:(21,22,23)/rA:30CCCCOCCCCCONCCCFFFCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s15;s15;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-QMCKUCRUSDEOOY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3968237,CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)CCC1(C)C,QMCKUCRUSDEOOY,QMCKUCRUSDEOOY-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-20(2)12-11-17(19(24)23(20)3)18-21-13-16(14-22-18)10-9-15-7-5-4-6-8-15/h4-8,13-14,17H,11-12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,15,14,16,13,17,11,10,20,21,8,18,12,9,5,6,3,22,7,19,2,4/E:(1,2)(5,6)(7,8)(13,14)(21,22)/rA:24CNCOCCNCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-QMDXUPMQMIYWSB_on_O15399_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_O60391_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_Q05586_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_Q12879_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_Q13224_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMDXUPMQMIYWSB_on_Q14957_WT,Low,ChEMBL30,CHEMBL291149,CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br,QMDXUPMQMIYWSB,QMDXUPMQMIYWSB-UHFFFAOYSA-N,"InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)","""AuxInfo=1/1/N:1,2,4,3,5,17,6,13,10,8,18,12,7,14,11,9,15,16/E:(17,18)/CRV:14.5/rA:18CCCCCCNCOCONCN+OO-CBr/rB:s1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QMEDXIXXPXRNQP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954371,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2n1,QMEDXIXXPXRNQP,QMEDXIXXPXRNQP-UHFFFAOYSA-N,"InChI=1S/C25H22FN3O3/c26-17-6-4-16(5-7-17)19-12-21(23(27)31)28-20-11-15(3-8-18(19)20)14-29-22(30)13-25(24(29)32)9-1-2-10-25/h3-8,11-12H,1-2,9-10,13-14H2,(H2,27,31)","""AuxInfo=1/1/N:25,26,16,8,13,9,12,15,24,27,30,5,22,18,17,7,10,14,6,31,4,20,2,28,23,11,1,32,19,21,3,29/E:(1,2)(4,5)(6,7)(9,10)/rA:32NCOCCCCCCCFCCCCCCCNCOCCCCCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s23s26;s19s23;d28;d17;s14s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-QMGMYJBSZVYNPE_on_O00222_WT,High,ExCAPE-DB,73058509,Cc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,QMGMYJBSZVYNPE,QMGMYJBSZVYNPE-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO2S/c1-15-4-6-18(7-5-15)13-29-14-22(27)21-12-16(2)26(17(21)3)19-8-10-20(11-9-19)28-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,26,13,3,29,4,28,16,24,17,23,27,6,8,2,25,12,5,15,18,11,9,20,21,22,14,10,19,7/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:29CCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-QMGMYJBSZVYNPE_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560758,Cc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,QMGMYJBSZVYNPE,QMGMYJBSZVYNPE-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO2S/c1-15-4-6-18(7-5-15)13-29-14-22(27)21-12-16(2)26(17(21)3)19-8-10-20(11-9-19)28-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,26,13,3,29,4,28,16,24,17,23,27,6,8,2,25,12,5,15,18,11,9,20,21,22,14,10,19,7/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:29CCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-QMGWNCFCWXUZEI_on_O15303_WT,Low,ChEMBL30,CHEMBL3805139,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,QMGWNCFCWXUZEI,QMGWNCFCWXUZEI-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,29,28,16,21,6,20,17,15,14,25,11,12,23,3,7,13,26,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QMGWNCFCWXUZEI_on_P41594_WT,Low,ChEMBL30,CHEMBL3805139,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,QMGWNCFCWXUZEI,QMGWNCFCWXUZEI-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,29,28,16,21,6,20,17,15,14,25,11,12,23,3,7,13,26,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QMGWNCFCWXUZEI_on_Q14416_WT,High,ChEMBL30,CHEMBL3805139,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,QMGWNCFCWXUZEI,QMGWNCFCWXUZEI-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,29,28,16,21,6,20,17,15,14,25,11,12,23,3,7,13,26,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PATENT:US9315518B2,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-QMGWNCFCWXUZEI_on_Q14832_WT,Low,ChEMBL30,CHEMBL3805139,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,QMGWNCFCWXUZEI,QMGWNCFCWXUZEI-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,29,28,16,21,6,20,17,15,14,25,11,12,23,3,7,13,26,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QMGWNCFCWXUZEI_on_Q14833_WT,Low,ChEMBL30,CHEMBL3805139,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,QMGWNCFCWXUZEI,QMGWNCFCWXUZEI-UHFFFAOYSA-N,"InChI=1S/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,29,28,16,21,6,20,17,15,14,25,11,12,23,3,7,13,26,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QMHAWAKKRSCIRL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3956969,O=C1N(c2ccc(C#Cc3ccccc3)cn2)CC2CCCCN12,QMHAWAKKRSCIRL,QMHAWAKKRSCIRL-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c24-20-22-13-5-4-8-18(22)15-23(20)19-12-11-17(14-21-19)10-9-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,18H,4-5,8,13,15H2","""AuxInfo=1/0/N:13,12,14,21,22,11,15,20,9,8,6,5,23,16,18,10,7,19,4,2,17,24,3,1/E:(2,3)(6,7)/rA:24OCNCCCCCCCCCCCCCNCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;s3;s18;s19;s20;s21;s22;s2s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-QMHTYKLXSOQULX_on_O00591_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_O14764_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P14867_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P18505_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P18507_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P28472_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P31644_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P34903_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P47869_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P47870_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P48169_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_P78334_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_Q16445_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMHTYKLXSOQULX_on_Q99928_WT,Low,ChEMBL30,CHEMBL298805,O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2,QMHTYKLXSOQULX,QMHTYKLXSOQULX-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCFCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-QMKIWWSSEBBOLG_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109420;CHEMBL217940,CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,QMKIWWSSEBBOLG,QMKIWWSSEBBOLG-UHFFFAOYSA-N,"InChI=1S/C22H30N4O2/c1-22(2,3)19-7-5-18(6-8-19)16-28-21(27)26-13-9-17(10-14-26)15-25-20-23-11-4-12-24-20/h4-8,11-12,17H,9-10,13-16H2,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,4,22,7,27,6,28,15,25,21,23,14,26,17,9,16,8,5,19,11,2,20,24,18,13,12,10/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(23,24)/rA:28CCCCCCCCCOCONCCCCNCNCCCNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  6.143;  6.140,6.141,0.002,0.002,2.0,6.141,0.002
-QMKZZQPPJRWDED_on_O00591_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_O14764_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P14867_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P18505_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P18507_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P28472_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P31644_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P34903_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P47869_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P47870_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P48169_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_P78334_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMKZZQPPJRWDED_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322866,Nc1cc(C(=O)O)ccn1,QMKZZQPPJRWDED,QMKZZQPPJRWDED-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:8,9,3,4,2,5,1,10,6,7/E:(9,10)/rA:10NCCCCOOCCN/rB:s1;d2;s3;s4;d5;s5;d4;s8;s2d9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.720;  4.720,4.72,0.0,0.0,2.0,4.72,0.0
-QMMFHWUIFIBSBW_on_P41594_WT,High,ChEMBL30,CHEMBL3605287,O=C(c1cc(F)cc(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2,QMMFHWUIFIBSBW,QMMFHWUIFIBSBW-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O3/c21-13-2-1-3-16(9-13)27-11-19-24-17-4-5-25(10-18(17)28-19)20(26)12-6-14(22)8-15(23)7-12/h1-3,6-9H,4-5,10-11H2","""AuxInfo=1/0/N:26,25,27,13,12,4,10,7,22,16,19,3,23,5,8,21,14,15,18,2,24,6,9,28,11,1,20,17/E:(6,7)(14,15)(22,23)/rA:28OCCCCFCCFCNCCCCCOCCOCCCFCCCN/rB:d1;s2;d3;s4;s5;d5;s7;s8;s3d8;s2;s11;s12;s13;d14;s11s15;s15;s17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.820;  6.820,6.82,0.0,0.0,2.0,6.82,0.0
-QMMHYPPKJAWXON_on_P41594_WT,High,ChEMBL30,CHEMBL3601900;CHEMBL3600433;CHEMBL3600401,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,QMMHYPPKJAWXON,QMMHYPPKJAWXON-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,21,20,10,11,14,27,25,22,13,19,15,4,17,6,8,16,9,24,26,18,5,7,12/rA:27CCCCNCOCNCCSCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.090;  7.540;  6.010,7.212999999999999,0.88,0.622,3.0,7.54,0.55
-QMNAPUAQOOQQTB_on_Q13255_WT,High,ChEMBL30,CHEMBL3759211,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1,QMNAPUAQOOQQTB,QMNAPUAQOOQQTB-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(21)7-11)25-18(27)12-4-2-10(20)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,19,28,3,2,20,10,17,18,26,13,6,7,15,24,21,27,4,9,5,14,8,16,25/rA:28CCCNNCCONCCCCNCOCCCCClCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.070;  6.070,6.07,0.0,0.0,2.0,6.07,0.0
-QMNAPUAQOOQQTB_on_Q14833_WT,High,ChEMBL30,CHEMBL3759211,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1,QMNAPUAQOOQQTB,QMNAPUAQOOQQTB-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-11-3-5-15(14(21)7-11)25-18(27)12-4-2-10(20)6-13(12)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,22,11,23,12,19,28,3,2,20,10,17,18,26,13,6,7,15,24,21,27,4,9,5,14,8,16,25/rA:28CCCNNCCONCCCCNCOCCCCClCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s20;s17d22;s14s18;d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-QMSWOISULDKCKC_on_P31644_WT,High,ChEMBL30,CHEMBL3676518,Cc1c(COc2ncc(C(=O)NC(C)C)cc2Br)c(-c2ccccc2)no1,QMSWOISULDKCKC,QMSWOISULDKCKC-UHFFFAOYSA-N,"InChI=1S/C20H20BrN3O3/c1-12(2)23-19(25)15-9-17(21)20(22-10-15)26-11-16-13(3)27-24-18(16)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,23,22,24,21,25,16,8,4,13,2,20,9,3,17,19,10,6,18,7,12,26,11,5,27/E:(1,2)(5,6)(7,8)/rA:27CCCCOCNCCCONCCCCCBrCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-QMTVYANBFIIHRR_on_O15303_WT,High,ChEMBL30,CHEMBL2381650;CHEMBL2381651,NC1(C(=O)O)CC(Sc2ccccc2)C2C(C(=O)O)C21,QMTVYANBFIIHRR,QMTVYANBFIIHRR-UHFFFAOYSA-N,"InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:12,11,13,10,14,6,9,7,15,16,20,17,3,2,1,18,19,4,5,8/E:(2,3)(4,5)(16,17)(18,19)/rA:20NCCOOCCSCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s15;s16;d17;s17;s2s15s16;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382646,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  5.900;  5.490,5.695,0.205,0.205,2.0,5.695,0.205
-QMTVYANBFIIHRR_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB;ExCAPE-DB,CHEMBL2381651;CHEMBL2381650;CHEMBL2381650;CHEMBL2381651;CHEMBL2381650;CHEMBL2381651;10979251;71681826,NC1(C(=O)O)CC(Sc2ccccc2)C2C(C(=O)O)C21,QMTVYANBFIIHRR,QMTVYANBFIIHRR-UHFFFAOYSA-N,"InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:12,11,13,10,14,6,9,7,15,16,20,17,3,2,1,18,19,4,5,8/E:(2,3)(4,5)(16,17)(18,19)/rA:20NCCOOCCSCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s15;s16;d17;s17;s2s15s16;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619405;CHEMBL3619405;CHEMBL3619269;CHEMBL3619269;CHEMBL2383346;CHEMBL3619271;PubChemAID:748169;PubChemAID:748171,PMID:23675965,2013.0,PMID:26313429;PMID:26313429;PMID:26313429;PMID:26313429;PMID:23675965;PMID:26313429;PubChemAID:748169;PubChemAID:748171,2015;2015;2015;2015;2013;2015;2014;2014,1;1;0;0;1;0;0;0,0;0;0;0;0;1;0;0,0,0;0;1;1;0;0;0;0,0;0;0;0;0;0;1;1,,=,  4.820;  5.160;  6.380;  5.910;  5.150;  5.930;  5.154;  5.932,5.553999999999999,0.514,0.19399999999999998,8.0,5.535,0.39
-QMTVYANBFIIHRR_on_Q14832_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,71681826;CHEMBL2381650;CHEMBL2381650;CHEMBL2381651;CHEMBL2381650;CHEMBL2381651;CHEMBL2381650,NC1(C(=O)O)CC(Sc2ccccc2)C2C(C(=O)O)C21,QMTVYANBFIIHRR,QMTVYANBFIIHRR-UHFFFAOYSA-N,"InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:12,11,13,10,14,6,9,7,15,16,20,17,3,2,1,18,19,4,5,8/E:(2,3)(4,5)(16,17)(18,19)/rA:20NCCOOCCSCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s15;s16;d17;s17;s2s15s16;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:748165;CHEMBL3619412;CHEMBL3619416;CHEMBL3619412;CHEMBL3619270;CHEMBL3619270;CHEMBL2382648,PMID:23675965,2013.0,PubChemAID:748165;PMID:26313429;PMID:26313429;PMID:26313429;PMID:26313429;PMID:26313429;PMID:23675965,2014;2015;2015;2015;2015;2015;2013,0;1;1;1;0;0;1,0,0,0;0;0;0;1;1;0,1;0;0;0;0;0;0,,=,  5.472;  5.970;  5.110;  5.470;  6.860;  6.570;  6.050,5.928999999999999,0.584,0.23800000000000002,7.0,5.97,0.5
-QMZJAQQFBLLHKS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL520837,CC1CN(Cc2cnc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1,QMZJAQQFBLLHKS,QMZJAQQFBLLHKS-UHFFFAOYSA-N,"InChI=1S/C16H14ClFN2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-14(18)13(17)6-12/h2-7,10H,8-9H2,1H3","""AuxInfo=1/0/N:1,19,11,12,18,17,7,3,5,2,6,10,15,13,9,20,16,14,8,4,21,22/rA:22CCCNCCCNCCCCCFCClCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-QMZUSVDSLQQUJW_on_P18507_WT,Low,ChEMBL30,CHEMBL235785,FC(F)(F)c1cc(Cl)c(-n2nncc2-c2ccccc2)c(Cl)c1,QMZUSVDSLQQUJW,QMZUSVDSLQQUJW-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-13(8-21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:18,17,19,16,20,6,23,13,15,5,7,21,14,9,2,8,22,1,3,4,12,11,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNNNCCCCCCCCCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QMZUSVDSLQQUJW_on_P47869_WT,Low,ChEMBL30,CHEMBL235785,FC(F)(F)c1cc(Cl)c(-n2nncc2-c2ccccc2)c(Cl)c1,QMZUSVDSLQQUJW,QMZUSVDSLQQUJW-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-13(8-21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:18,17,19,16,20,6,23,13,15,5,7,21,14,9,2,8,22,1,3,4,12,11,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNNNCCCCCCCCCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QMZUSVDSLQQUJW_on_P47870_WT,Low,ChEMBL30,CHEMBL235785,FC(F)(F)c1cc(Cl)c(-n2nncc2-c2ccccc2)c(Cl)c1,QMZUSVDSLQQUJW,QMZUSVDSLQQUJW-UHFFFAOYSA-N,"InChI=1S/C15H8Cl2F3N3/c16-11-6-10(15(18,19)20)7-12(17)14(11)23-13(8-21-22-23)9-4-2-1-3-5-9/h1-8H","""AuxInfo=1/0/N:18,17,19,16,20,6,23,13,15,5,7,21,14,9,2,8,22,1,3,4,12,11,10/E:(2,3)(4,5)(6,7)(11,12)(16,17)(18,19,20)/rA:23FCFFCCCClCNNNCCCCCCCCCClC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s15d19;s9;s21;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QNBJKNADRFPYRD_on_P14867_WT,Low,ChEMBL30,CHEMBL3616640,CCCc1cc(N)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,QNBJKNADRFPYRD,QNBJKNADRFPYRD-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,16,20,2,15,19,3,14,22,21,23,5,12,4,11,13,10,6,17,8,7,9,18/rA:23CCCCCCNCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;d6;s8;s8;s10;d11;s12;s13;s14;s15;d13;s17;s18;s19;s17;s11d21;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.840;  4.480,4.66,0.18,0.18,2.0,4.66,0.18
-QNBJKNADRFPYRD_on_P18507_WT,Low,ChEMBL30,CHEMBL3616640,CCCc1cc(N)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,QNBJKNADRFPYRD,QNBJKNADRFPYRD-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,16,20,2,15,19,3,14,22,21,23,5,12,4,11,13,10,6,17,8,7,9,18/rA:23CCCCCCNCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;d6;s8;s8;s10;d11;s12;s13;s14;s15;d13;s17;s18;s19;s17;s11d21;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.840;  4.480,4.66,0.18,0.18,2.0,4.66,0.18
-QNBJKNADRFPYRD_on_P47870_WT,Low,ChEMBL30,CHEMBL3616640,CCCc1cc(N)c(O)c(-c2cc(CCC)c(OCC)cc2)c1,QNBJKNADRFPYRD,QNBJKNADRFPYRD-UHFFFAOYSA-N,"InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3","""AuxInfo=1/0/N:1,16,20,2,15,19,3,14,22,21,23,5,12,4,11,13,10,6,17,8,7,9,18/rA:23CCCCCCNCOCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;s6;d6;s8;s8;s10;d11;s12;s13;s14;s15;d13;s17;s18;s19;s17;s11d21;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619100;CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.480;  4.840,4.66,0.18,0.18,2.0,4.66,0.18
-QNCOWGRTHTWXQC_on_P14867_WT,Low,ChEMBL30,CHEMBL1851720,C#CCOc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,QNCOWGRTHTWXQC,QNCOWGRTHTWXQC-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)","""AuxInfo=1/1/N:1,2,13,14,7,22,6,23,21,20,12,3,8,5,9,18,15,19,10,11,16,17,4/E:(5,6)(7,8)(21,22)/rA:23CCCOCCCCCNNCCCCOOCNCCCC/rB:t1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s15;s11;d18;s18;s9d20;s8;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-QNCOWGRTHTWXQC_on_P18507_WT,Low,ChEMBL30,CHEMBL1851720,C#CCOc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,QNCOWGRTHTWXQC,QNCOWGRTHTWXQC-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)","""AuxInfo=1/1/N:1,2,13,14,7,22,6,23,21,20,12,3,8,5,9,18,15,19,10,11,16,17,4/E:(5,6)(7,8)(21,22)/rA:23CCCOCCCCCNNCCCCOOCNCCCC/rB:t1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s15;s11;d18;s18;s9d20;s8;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-QNCOWGRTHTWXQC_on_P47870_WT,Low,ChEMBL30,CHEMBL1851720,C#CCOc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1,QNCOWGRTHTWXQC,QNCOWGRTHTWXQC-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)","""AuxInfo=1/1/N:1,2,13,14,7,22,6,23,21,20,12,3,8,5,9,18,15,19,10,11,16,17,4/E:(5,6)(7,8)(21,22)/rA:23CCCOCCCCCNNCCCCOOCNCCCC/rB:t1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s15;s11;d18;s18;s9d20;s8;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-QNDFQLLUCBUAFN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44409835;CHEMBL381764,Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccccc2)c1,QNDFQLLUCBUAFN,QNDFQLLUCBUAFN-UHFFFAOYSA-N,"InChI=1S/C22H17NO3/c1-15-11-17(13-18(12-15)26-14-16-7-3-2-4-8-16)23-21(24)19-9-5-6-10-20(19)22(23)25/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,11,12,21,25,10,13,3,26,16,19,2,20,4,17,9,8,14,6,5,15,7,18/E:(3,4)(5,6)(7,8)(9,10)(19,20)(21,22)(24,25)/rA:26CCCCNCOCCCCCCCOCCOCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s5s9;d14;d4;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  7.292;  7.290,7.291,0.001,0.001,2.0,7.291,0.001
-QNGNSFCTGXNQOR_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL568321;45486781,COc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1,QNGNSFCTGXNQOR,QNGNSFCTGXNQOR-UHFFFAOYSA-N,"InChI=1S/C17H15N3O2S/c1-20(16(21)13-3-5-14(22-2)6-4-13)17-19-15(11-23-17)12-7-9-18-10-8-12/h3-11H,1-2H3","""AuxInfo=1/0/N:10,1,5,22,4,23,15,19,16,18,20,14,6,3,13,7,11,17,12,9,8,2,21/E:(3,4)(5,6)(7,8)(9,10)/rA:23COCCCCCONCCNCCCCNCCCSCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s9;d11;s12;s13;d14;s15;d16;s17;s14d18;d13;s11s20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-QNIMPINSILUXLM_on_P41594_WT,Low,ChEMBL30,CHEMBL1092276,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O,QNIMPINSILUXLM,QNIMPINSILUXLM-UHFFFAOYSA-N,"InChI=1S/C15H10FN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,13,2,18,15,6,11,10,4,7,22,19,5,12,3,8,14,23,9/E:(2,3)(4,5)/rA:23CCNCNCCNSCCNCNCCCCFCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-QNIMPINSILUXLM_on_Q13255_WT,High,ChEMBL30,CHEMBL1092276,Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O,QNIMPINSILUXLM,QNIMPINSILUXLM-UHFFFAOYSA-N,"InChI=1S/C15H10FN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,13,2,18,15,6,11,10,4,7,22,19,5,12,3,8,14,23,9/E:(2,3)(4,5)/rA:23CCNCNCCNSCCNCNCCCCFCCCO/rB:s1;d2;s3;s4;d4;s6;s2d7;s7;s9;s6d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-QNJVELOLCDKQBN_on_P14867_WT,Low,ChEMBL30,CHEMBL54497,CC(C)c1c(O)c(C(C)C)cc(Br)c1,QNJVELOLCDKQBN,QNJVELOLCDKQBN-UHFFFAOYSA-N,"InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCBrC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822800;CHEMBL821856,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.420;  4.920,4.67,0.25,0.25,2.0,4.67,0.25
-QNJVELOLCDKQBN_on_P18505_WT,Low,ChEMBL30,CHEMBL54497,CC(C)c1c(O)c(C(C)C)cc(Br)c1,QNJVELOLCDKQBN,QNJVELOLCDKQBN-UHFFFAOYSA-N,"InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCBrC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.920;  4.420,4.67,0.25,0.25,2.0,4.67,0.25
-QNJVELOLCDKQBN_on_P18507_WT,Low,ChEMBL30,CHEMBL54497,CC(C)c1c(O)c(C(C)C)cc(Br)c1,QNJVELOLCDKQBN,QNJVELOLCDKQBN-UHFFFAOYSA-N,"InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCBrC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822800;CHEMBL821856,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.420;  4.920,4.67,0.25,0.25,2.0,4.67,0.25
-QNLKJSGZMGMFBW_on_P14867_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.170;  8.170,8.17,0.0,0.0,2.0,8.17,0.0
-QNLKJSGZMGMFBW_on_P18507_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL822165;CHEMBL683047;CHEMBL685338;CHEMBL681480;CHEMBL823916;CHEMBL682251;CHEMBL678329,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039,2000;1998;1998;1998;2000;1998;2000;2000,0,0,0,1,0,,=,  8.080;  8.170;  8.080;  9.530;  9.540;  8.130;  8.130;  8.170,8.479,0.611,0.231,8.0,8.15,0.045
-QNLKJSGZMGMFBW_on_P28472_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL823916;CHEMBL678329;CHEMBL683045;CHEMBL681480;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  8.170;  9.530;  8.080;  8.130;  8.170;  8.080;  9.540;  8.130,8.479,0.611,0.231,8.0,8.15,0.045
-QNLKJSGZMGMFBW_on_P31644_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  9.540;  9.530,9.535,0.005,0.005,2.0,9.535,0.005
-QNLKJSGZMGMFBW_on_P34903_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.130;  8.130,8.13,0.0,0.0,2.0,8.13,0.0
-QNLKJSGZMGMFBW_on_Q16445_WT,Low,ChEMBL30,CHEMBL133049,COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,QNLKJSGZMGMFBW,QNLKJSGZMGMFBW-UHFFFAOYSA-N,"InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3","""AuxInfo=1/0/N:17,18,19,23,1,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,2,15/E:(1,2,3)/rA:25COCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.080;  8.080,8.08,0.0,0.0,2.0,8.08,0.0
-QNLPPYRKEBGGHV_on_Q14833_WT,Low,ChEMBL30,CHEMBL557686,O=C(Nc1cc(Cl)c(Cl)cc1)C1CCCCC1,QNLPPYRKEBGGHV,QNLPPYRKEBGGHV-UHFFFAOYSA-N,"InChI=1S/C13H15Cl2NO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,11,10,5,12,4,8,6,2,9,7,3,1/E:(2,3)(4,5)/rA:17OCNCCCClCClCCCCCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1034756,PMID:19469556,2009.0,PMID:19469556,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QNPYBAHSSMSVTI_on_P41594_WT,High,ChEMBL30,CHEMBL1808893,Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1,QNPYBAHSSMSVTI,QNPYBAHSSMSVTI-UHFFFAOYSA-N,"InChI=1S/C21H18ClFN4O/c1-13-7-18(14-8-15(22)10-16(23)9-14)26-11-17(13)20-3-2-6-27(20)21(28)19-12-24-4-5-25-19/h4-5,7-12,20H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,18,17,26,27,19,3,12,6,9,14,24,2,5,10,7,15,4,23,16,21,11,8,25,28,13,20,22/rA:28CCCCCCCFCCClCNCCCCCCNCOCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;d4;s13;s2d14;s15;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  6.100;  6.410,6.255,0.155,0.155,2.0,6.255,0.155
-QNQFDFZDDOWVEL_on_P41594_WT,Low,ChEMBL30,CHEMBL3633966,CC(=O)N1CCCn2nc(COc3cnccc3)cc12,QNQFDFZDDOWVEL,QNQFDFZDDOWVEL-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c1-11(19)17-6-3-7-18-14(17)8-12(16-18)10-20-13-4-2-5-15-9-13/h2,4-5,8-9H,3,6-7,10H2,1H3","""AuxInfo=1/0/N:1,17,6,18,16,5,7,19,14,11,2,10,13,20,15,9,4,8,3,12/rA:20CCONCCCNNCCOCCNCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-QNQQWUGZWDWVGA_on_P41594_WT,High,ChEMBL30,CHEMBL227201,Cc1nc(C#Cc2cc(F)ccc2)nnc1,QNQQWUGZWDWVGA,QNQQWUGZWDWVGA-UHFFFAOYSA-N,"InChI=1S/C12H8FN3/c1-9-8-14-16-12(15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,12,13,11,6,5,8,16,2,7,9,4,10,15,3,14/rA:16CCNCCCCCCFCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-QNTJTLOEIHXVSM_on_P41594_WT,High,ChEMBL30,CHEMBL1389853,Cc1ccc(Nc2nc3c(cn2)C(=O)CC(C)(C)C3)cc1,QNTJTLOEIHXVSM,QNTJTLOEIHXVSM-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,17,18,3,21,4,20,19,15,11,2,5,10,9,13,7,16,12,6,8,14/E:(2,3)(4,5)(6,7)/rA:21CCCCCNCNCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s16;s16;s9s16;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-QNWRGRATEXLYQY_on_P31644_WT,High,ChEMBL30,CHEMBL3681464,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cccnc2)no1,QNWRGRATEXLYQY,QNWRGRATEXLYQY-UHFFFAOYSA-N,"InChI=1S/C21H22N4O4/c1-14-18(20(25-29-14)15-3-2-8-22-11-15)13-28-19-5-4-16(12-23-19)21(26)24-17-6-9-27-10-7-17/h2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,23,8,7,14,18,25,15,17,27,19,4,2,22,9,13,3,6,21,10,26,20,12,28,11,16,5,29/E:(6,7)(9,10)/rA:29CCCCOCCCCCONCCCOCCCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-QNYQRZYDZSRQND_on_P41594_WT,High,ChEMBL30,CHEMBL594781;CHEMBL594990;CHEMBL594990,Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCCC3C)cn2)cc1,QNYQRZYDZSRQND,QNYQRZYDZSRQND-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,20,17,16,18,24,23,15,10,21,4,2,19,11,5,8,7,12,9,3,22,6,14,13/rA:24CCNCCNCCClCCCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;s11;s7d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281;CHEMBL1065282;CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.850;  6.370;  6.620,6.28,0.321,0.22699999999999998,3.0,6.37,0.25
-QOICRVBHAUSMFA_on_P14867_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-QOICRVBHAUSMFA_on_P18507_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL991890;CHEMBL948526;CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.670;  7.550;  8.780,8.0,0.5539999999999999,0.392,3.0,7.67,0.12
-QOICRVBHAUSMFA_on_P28472_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL991890;CHEMBL948527;CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.670;  8.780;  7.550,8.0,0.5539999999999999,0.392,3.0,7.67,0.12
-QOICRVBHAUSMFA_on_P31644_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL948527,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  8.780,8.78,0.0,0.0,1.0,8.78,0.0
-QOICRVBHAUSMFA_on_P34903_WT,Medium,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL991891,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-QOICRVBHAUSMFA_on_P47869_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL991890,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-QOICRVBHAUSMFA_on_Q16445_WT,Low,ChEMBL30,CHEMBL471978,C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21,QOICRVBHAUSMFA,QOICRVBHAUSMFA-UHFFFAOYSA-N,"InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3","""AuxInfo=1/0/N:1,19,12,2,18,4,5,8,21,3,7,6,14,13,9,15,20,11,22,10,16,17/rA:22CCCCCCCCCONCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;d13;s14;d15;s15;s17;s18;s14;d20;s6s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL991893,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,<,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-QOIILHBCASHADR_on_P41594_WT,High,ChEMBL30,CHEMBL247438,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1,QOIILHBCASHADR,QOIILHBCASHADR-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)15-5-3-2-4-6-15)18(24)22(12)14-9-7-13(19)8-10-14/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,23,19,24,6,2,21,18,9,5,4,15,22,7,3,17,8,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-QOIILHBCASHADR_on_Q13255_WT,High,ChEMBL30,CHEMBL247438,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1,QOIILHBCASHADR,QOIILHBCASHADR-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)15-5-3-2-4-6-15)18(24)22(12)14-9-7-13(19)8-10-14/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,23,19,24,6,2,21,18,9,5,4,15,22,7,3,17,8,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QOIYGLHUBGCRFN_on_Q13255_WT,High,ChEMBL30,CHEMBL577035,CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1,QOIYGLHUBGCRFN,QOIYGLHUBGCRFN-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3","""AuxInfo=1/0/N:1,6,11,7,10,16,20,17,19,21,15,5,8,14,3,12,9,18,13,2,4,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22CNCOCCCCClCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-QOLLZNUSWOMAQQ_on_Q14416_WT,High,ChEMBL30,CHEMBL593755,Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(C#N)c2,QOLLZNUSWOMAQQ,QOLLZNUSWOMAQQ-UHFFFAOYSA-N,"InChI=1S/C20H18ClF3N6/c1-28-16-4-2-13(11-25)10-15(16)26-18(28)12-29-6-8-30(9-7-29)19-14(20(22,23)24)3-5-17(21)27-19/h2-5,10H,6-9,12H2,1H3","""AuxInfo=1/0/N:1,26,14,25,13,6,21,7,20,30,28,4,27,15,23,24,11,3,9,16,12,17,18,19,29,22,10,2,5,8/E:(6,7)(8,9)(22,23,24)/rA:30CNCCNCCNCNCClCCCCFFFCCNCCCCCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s15;s16;s16;s16;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s27;t28;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QOLNTYLPEHVBQY_on_O00222_WT,High,ChEMBL30,CHEMBL4094241,NC(CCP(=O)(O)C(O)c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O,QOLNTYLPEHVBQY,QOLNTYLPEHVBQY-UHFFFAOYSA-N,"InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,20,11,10,2,16,12,14,21,8,1,17,13,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:13.5/rA:23NCCCPOOCOCCCOCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499;CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.480;  5.270,4.875,0.395,0.395,2.0,4.875,0.395
-QOLNTYLPEHVBQY_on_O15303_WT,High,ChEMBL30,CHEMBL4094241,NC(CCP(=O)(O)C(O)c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O,QOLNTYLPEHVBQY,QOLNTYLPEHVBQY-UHFFFAOYSA-N,"InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,20,11,10,2,16,12,14,21,8,1,17,13,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:13.5/rA:23NCCCPOOCOCCCOCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-QOLNTYLPEHVBQY_on_Q14831_WT,Low,ChEMBL30,CHEMBL4094241,NC(CCP(=O)(O)C(O)c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O,QOLNTYLPEHVBQY,QOLNTYLPEHVBQY-UHFFFAOYSA-N,"InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,20,11,10,2,16,12,14,21,8,1,17,13,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:13.5/rA:23NCCCPOOCOCCCOCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QOLNTYLPEHVBQY_on_Q14833_WT,High,ChEMBL30,CHEMBL4094241,NC(CCP(=O)(O)C(O)c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O,QOLNTYLPEHVBQY,QOLNTYLPEHVBQY-UHFFFAOYSA-N,"InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,20,11,10,2,16,12,14,21,8,1,17,13,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:13.5/rA:23NCCCPOOCOCCCOCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495;CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.320;  5.370,5.345,0.025,0.025,2.0,5.345,0.025
-QOQIYAQCUYNZAI_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269129,NCCCNCCCCNCCCNC(=O)C(CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1,QOQIYAQCUYNZAI,QOQIYAQCUYNZAI-UHFFFAOYSA-N,"InChI=1S/C29H44N6O3/c30-16-9-19-31-17-7-8-18-32-20-10-21-34-29(38)26(35-28(37)25-13-5-2-6-14-25)15-22-33-27(36)23-24-11-3-1-4-12-24/h1-6,11-14,26,31-32H,7-10,15-23,30H2,(H,33,36)(H,34,38)(H,35,37)","""AuxInfo=1/1/N:27,36,26,28,35,37,7,8,3,12,25,29,34,38,18,2,6,9,4,11,13,19,23,24,33,17,21,31,15,1,5,10,20,14,30,22,32,16/E:(3,4)(5,6)(11,12)(13,14)/rA:38NCCCNCCCCNCCCNCOCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;s27;s24d28;s17;s30;d31;s31;d33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-QOQIYAQCUYNZAI_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269129,NCCCNCCCCNCCCNC(=O)C(CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1,QOQIYAQCUYNZAI,QOQIYAQCUYNZAI-UHFFFAOYSA-N,"InChI=1S/C29H44N6O3/c30-16-9-19-31-17-7-8-18-32-20-10-21-34-29(38)26(35-28(37)25-13-5-2-6-14-25)15-22-33-27(36)23-24-11-3-1-4-12-24/h1-6,11-14,26,31-32H,7-10,15-23,30H2,(H,33,36)(H,34,38)(H,35,37)","""AuxInfo=1/1/N:27,36,26,28,35,37,7,8,3,12,25,29,34,38,18,2,6,9,4,11,13,19,23,24,33,17,21,31,15,1,5,10,20,14,30,22,32,16/E:(3,4)(5,6)(11,12)(13,14)/rA:38NCCCNCCCCNCCCNCOCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;s27;s24d28;s17;s30;d31;s31;d33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-QORLMYYHZLDYOR_on_P14867_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1282595;CHEMBL678329;CHEMBL948526;CHEMBL822165,PMID:9767648,1998.0,PMID:20646926;PMID:10633039;PMID:18537233;PMID:9767648,2010;2000;2008;1998,0,0,0,1,0,,=,  8.170;  8.170;  8.170;  8.170,8.17,0.0,0.0,4.0,8.17,0.0
-QORLMYYHZLDYOR_on_P18507_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL824296;CHEMBL683047;CHEMBL1282597;CHEMBL1282596;CHEMBL1282595;CHEMBL685338;CHEMBL822165;CHEMBL948526;CHEMBL678329;CHEMBL823916;CHEMBL682251;CHEMBL681480;CHEMBL681248;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:20646926;PMID:20646926;PMID:20646926;PMID:9767648;PMID:9767648;PMID:18537233;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;2010;2010;2010;1998;1998;2008;2000;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  7.790;  7.260;  8.040;  7.790;  8.170;  9.070;  8.170;  8.170;  8.170;  8.040;  8.040;  9.070;  7.790;  7.260,8.059,0.506,0.14,14.0,8.04,0.19
-QORLMYYHZLDYOR_on_P28472_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL683045;CHEMBL822165;CHEMBL683047;CHEMBL685338;CHEMBL823916;CHEMBL948526;CHEMBL824296;CHEMBL678329,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:18537233;PMID:9767648;PMID:10633039,2000;2000;2000;2000;1998;1998;1998;1998;2008;1998;2000,0,0,0,1,0,,=,  7.790;  8.040;  9.070;  7.260;  8.170;  7.260;  9.070;  8.040;  8.170;  7.790;  8.170,8.075,0.564,0.17800000000000002,11.0,8.04,0.25
-QORLMYYHZLDYOR_on_P31644_WT,High,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1282599,PMID:9767648,1998.0,PMID:20646926,2010,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-QORLMYYHZLDYOR_on_P34903_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251;CHEMBL1282597,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:20646926,1998;2000;2010,0,0,0,1,0,,=,  8.040;  8.040;  8.040,8.04,0.0,0.0,3.0,8.04,0.0
-QORLMYYHZLDYOR_on_P47869_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248;CHEMBL1282596,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:20646926,1998;2000;2010,0,0,0,1,0,,=,  7.790;  7.790;  7.790,7.79,0.0,0.0,3.0,7.79,0.0
-QORLMYYHZLDYOR_on_P47870_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1282595;CHEMBL1282596;CHEMBL1282597,PMID:20646926,2010.0,PMID:20646926,2010,0,0,0,1,0,,=,  8.170;  7.790;  8.040,8.0,0.158,0.11199999999999999,3.0,8.04,0.13
-QORLMYYHZLDYOR_on_P48169_WT,High,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1282598,PMID:20646926,2010.0,PMID:20646926,2010,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-QORLMYYHZLDYOR_on_Q16445_WT,Low,ChEMBL30,CHEMBL415290,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,QORLMYYHZLDYOR,QORLMYYHZLDYOR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,19,8,21,17,13,14,7,6,11,4,18,22,9,20,12,5,3/rA:22CCOCOCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.260;  7.260,7.26,0.0,0.0,2.0,7.26,0.0
-QOSHPJCNZIZNLZ_on_P41594_WT,High,ChEMBL30,CHEMBL2403580,O=S(=O)(N1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,QOSHPJCNZIZNLZ,QOSHPJCNZIZNLZ-UHFFFAOYSA-N,"InChI=1S/C18H19N3O3S2/c22-26(23,20-10-12-24-13-11-20)21-9-8-16-17(14-21)25-18(19-16)7-6-15-4-2-1-3-5-15/h1-5H,8-14H2","""AuxInfo=1/0/N:23,22,24,21,25,19,18,12,11,5,9,6,8,15,20,13,14,17,26,4,10,1,3,7,16,2/E:(2,3)(4,5)(10,11)(12,13)(22,23)/CRV:26.6/rA:26OSONCCOCCNCCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-QOTAQTRFJWLFCR_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,11313361;CHEMBL174588;CHEMBL174588;CHEMBL174588,COC1CCC(C(=O)c2ccc3nc4OCCCc4cc3c2)CC1,QOTAQTRFJWLFCR,QOTAQTRFJWLFCR-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3","""AuxInfo=1/0/N:1,17,18,5,23,10,4,24,11,16,22,20,6,9,19,21,3,12,7,14,13,8,2,15/E:(4,5)(7,8)/rA:24COCCCCCOCCCCNCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s15;s16;s17;s14s18;d19;s12s20;s9d21;s6;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546;CHEMBL874546;CHEMBL945124,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457;PMID:15771457;PMID:17489573,2010;2005;2005;2007,0;1;1;1,0,0,0,1;0;0;0,,=,  9.260;  6.970;  9.260;  8.920,8.602,0.953,0.55,4.0,9.09,0.17
-QOUJVWJBFJLZDL_on_P31644_WT,High,ChEMBL30,CHEMBL3676436,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(C2CCC(F)CN2)no1,QOUJVWJBFJLZDL,QOUJVWJBFJLZDL-UHFFFAOYSA-N,"InChI=1S/C19H25FN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4,7-8,11,14,16,21H,5-6,9-10H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,8,21,20,7,16,24,4,13,2,9,22,3,19,6,18,10,23,25,17,12,26,11,5,27/E:(1,2)/rA:27CCCCOCCCCCONCCCCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;s19;s20;s21;s22;s22;s19s24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-QOUWYJJHAXVSLC_on_Q13255_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2418379;CHEMBL2418379;72163582,O=C(N1CC2CN(c3cnccn3)CC2C1)C12CC3CC(CC(C3)C1)C2,QOUWYJJHAXVSLC,QOUWYJJHAXVSLC-UHFFFAOYSA-N,"InChI=1S/C21H28N4O/c26-20(21-6-14-3-15(7-21)5-16(4-14)8-21)25-12-17-10-24(11-18(17)13-25)19-9-22-1-2-23-19/h1-2,9,14-18H,3-8,10-13H2","""AuxInfo=1/0/N:11,12,20,22,24,26,18,25,9,6,14,4,16,21,19,23,5,15,8,2,17,10,13,7,3,1/E:(3,4,5)(6,7,8)(10,11)(12,13)(14,15,16)(17,18)/rA:26OCNCCCNCCNCCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s5s14;s3s15;s2;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;CHEMBL2421151;PubChemAID:767436,PMID:23932792,2013.0,PMID:23932792;PMID:23932792;PubChemAID:767436,2013;2013;2014,1;1;0,0,0,0,0;0;1,,=,  6.170;  6.170;  6.175,6.172000000000001,0.002,0.002,3.0,6.17,0.0
-QOUXMGUQHNIMDL_on_Q14833_WT,High,ChEMBL30,CHEMBL2023629,c1ccc(-n2cc(-c3ccnc4c3cc[nH]4)cn2)cc1,QOUXMGUQHNIMDL,QOUXMGUQHNIMDL-UHFFFAOYSA-N,"InChI=1S/C16H12N4/c1-2-4-13(5-3-1)20-11-12(10-19-20)14-6-8-17-16-15(14)7-9-18-16/h1-11H,(H,17,18)","""AuxInfo=1/1/N:1,2,20,3,19,9,14,10,15,17,6,7,4,8,13,12,11,16,18,5/E:(2,3)(4,5)/rA:20CCCCNCCCCCNCCCCNCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s12s15;s7;s5d17;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-QOWGKOOAVPYSPT_on_O15399_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_O60391_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_Q05586_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_Q12879_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_Q13224_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWGKOOAVPYSPT_on_Q14957_WT,Low,ChEMBL30,CHEMBL42071,O=Nc1c(O)nc2ccccc2c1O,QOWGKOOAVPYSPT,QOWGKOOAVPYSPT-UHFFFAOYSA-N,"InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:10,9,11,8,12,7,3,13,4,6,2,14,5,1/rA:14ONCCONCCCCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s7s11;s3d12;s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-QOWIAVHXHUICLQ_on_P14867_WT,High,ChEMBL30,CHEMBL3659677,CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2C#N)c1,QOWIAVHXHUICLQ,QOWIAVHXHUICLQ-UHFFFAOYSA-N,"InChI=1S/C21H17N5O/c1-21(2,27)15-3-4-20-19(9-15)25-13-26(20)16-5-8-24-18(10-16)17-6-7-23-12-14(17)11-22/h3-10,12-13,27H,1-2H3","""AuxInfo=1/0/N:1,3,6,7,15,20,21,16,10,27,25,23,12,24,5,14,19,18,9,8,2,26,22,17,11,13,4/E:(1,2)/rA:27CCCOCCCCCCNCNCCCNCCCCNCCCNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s5d9;s9;d11;s8s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s24;t25;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3705279,PATENT:US8492408B2,2013.0,PATENT:US8492408B2,2013,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-QOWPSDYKJZUIJJ_on_P14867_WT,Low,ChEMBL30,CHEMBL361754,c1ccc(-c2nnc3c4c(c(OCc5ccc6OCOc6c5)nn23)C2CCC4CC2)cc1,QOWPSDYKJZUIJJ,QOWPSDYKJZUIJJ-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-2-4-18(5-3-1)23-26-27-24-21-16-7-9-17(10-8-16)22(21)25(28-29(23)24)30-13-15-6-11-19-20(12-15)32-14-31-19/h1-6,11-12,16-17H,7-10,13-14H2","""AuxInfo=1/0/N:1,2,32,3,31,15,27,29,26,30,16,22,13,19,14,28,25,4,17,21,9,10,5,8,11,6,7,23,24,12,18,20/E:(2,3)(4,5)(7,8)(9,10)/rA:32CCCCCNNCCCCOCCCCCOCOCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-QOWPSDYKJZUIJJ_on_P31644_WT,Low,ChEMBL30,CHEMBL361754,c1ccc(-c2nnc3c4c(c(OCc5ccc6OCOc6c5)nn23)C2CCC4CC2)cc1,QOWPSDYKJZUIJJ,QOWPSDYKJZUIJJ-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-2-4-18(5-3-1)23-26-27-24-21-16-7-9-17(10-8-16)22(21)25(28-29(23)24)30-13-15-6-11-19-20(12-15)32-14-31-19/h1-6,11-12,16-17H,7-10,13-14H2","""AuxInfo=1/0/N:1,2,32,3,31,15,27,29,26,30,16,22,13,19,14,28,25,4,17,21,9,10,5,8,11,6,7,23,24,12,18,20/E:(2,3)(4,5)(7,8)(9,10)/rA:32CCCCCNNCCCCOCCCCCOCOCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-QOWPSDYKJZUIJJ_on_P34903_WT,Low,ChEMBL30,CHEMBL361754,c1ccc(-c2nnc3c4c(c(OCc5ccc6OCOc6c5)nn23)C2CCC4CC2)cc1,QOWPSDYKJZUIJJ,QOWPSDYKJZUIJJ-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-2-4-18(5-3-1)23-26-27-24-21-16-7-9-17(10-8-16)22(21)25(28-29(23)24)30-13-15-6-11-19-20(12-15)32-14-31-19/h1-6,11-12,16-17H,7-10,13-14H2","""AuxInfo=1/0/N:1,2,32,3,31,15,27,29,26,30,16,22,13,19,14,28,25,4,17,21,9,10,5,8,11,6,7,23,24,12,18,20/E:(2,3)(4,5)(7,8)(9,10)/rA:32CCCCCNNCCCCOCCCCCOCOCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-QOWPSDYKJZUIJJ_on_P47869_WT,Low,ChEMBL30,CHEMBL361754,c1ccc(-c2nnc3c4c(c(OCc5ccc6OCOc6c5)nn23)C2CCC4CC2)cc1,QOWPSDYKJZUIJJ,QOWPSDYKJZUIJJ-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-2-4-18(5-3-1)23-26-27-24-21-16-7-9-17(10-8-16)22(21)25(28-29(23)24)30-13-15-6-11-19-20(12-15)32-14-31-19/h1-6,11-12,16-17H,7-10,13-14H2","""AuxInfo=1/0/N:1,2,32,3,31,15,27,29,26,30,16,22,13,19,14,28,25,4,17,21,9,10,5,8,11,6,7,23,24,12,18,20/E:(2,3)(4,5)(7,8)(9,10)/rA:32CCCCCNNCCCCOCCCCCOCOCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;d11;s5s8s23;s10;s25;s26;s9s27;s28;s25s29;s4;s1d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-QPBUEBDNKGGQCP_on_P18507_WT,Low,ChEMBL30,CHEMBL1783286,COc1c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)cc(C)cn1,QPBUEBDNKGGQCP,QPBUEBDNKGGQCP-UHFFFAOYSA-N,"InChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25)","""AuxInfo=1/1/N:24,1,7,6,8,17,18,22,25,23,16,5,9,4,10,21,12,13,3,11,26,15,20,19,14,2/E:(6,7)/rA:26COCCCCCCCCNCCONCCCNNCCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s13;s15;s16;s16s17;d12;s19;s5s9d20;s4;d22;s23;s23;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-QPBUEBDNKGGQCP_on_P28472_WT,Low,ChEMBL30,CHEMBL1783286,COc1c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)cc(C)cn1,QPBUEBDNKGGQCP,QPBUEBDNKGGQCP-UHFFFAOYSA-N,"InChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25)","""AuxInfo=1/1/N:24,1,7,6,8,17,18,22,25,23,16,5,9,4,10,21,12,13,3,11,26,15,20,19,14,2/E:(6,7)/rA:26COCCCCCCCCNCCONCCCNNCCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s13;s15;s16;s16s17;d12;s19;s5s9d20;s4;d22;s23;s23;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-QPBUEBDNKGGQCP_on_P47869_WT,Low,ChEMBL30,CHEMBL1783286,COc1c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)cc(C)cn1,QPBUEBDNKGGQCP,QPBUEBDNKGGQCP-UHFFFAOYSA-N,"InChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25)","""AuxInfo=1/1/N:24,1,7,6,8,17,18,22,25,23,16,5,9,4,10,21,12,13,3,11,26,15,20,19,14,2/E:(6,7)/rA:26COCCCCCCCCNCCONCCCNNCCCCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s13;s15;s16;s16s17;d12;s19;s5s9d20;s4;d22;s23;s23;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-QPBUPJARMOOPFC_on_P41594_WT,High,ChEMBL30,CHEMBL3644364,Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4ccc(F)nc4)C3=C2)cn1,QPBUPJARMOOPFC,QPBUPJARMOOPFC-UHFFFAOYSA-N,"InChI=1S/C21H16F2N6O/c1-12-26-11-29(27-12)19-8-17-14-3-4-16(22)21(13-2-5-18(23)24-9-13)15(14)6-7-28(17)20(30)10-25-19/h2-5,8-9,11H,6-7,10H2,1H3","""AuxInfo=1/0/N:1,21,15,16,22,12,11,28,26,7,29,2,20,14,13,17,27,23,5,8,19,18,24,25,6,30,3,10,4,9/rA:30CCNNCNCCONCCCCCCCFCCCCCFNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s23;s20d25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QPBUPJARMOOPFC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644364,Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4ccc(F)nc4)C3=C2)cn1,QPBUPJARMOOPFC,QPBUPJARMOOPFC-UHFFFAOYSA-N,"InChI=1S/C21H16F2N6O/c1-12-26-11-29(27-12)19-8-17-14-3-4-16(22)21(13-2-5-18(23)24-9-13)15(14)6-7-28(17)20(30)10-25-19/h2-5,8-9,11H,6-7,10H2,1H3","""AuxInfo=1/0/N:1,21,15,16,22,12,11,28,26,7,29,2,20,14,13,17,27,23,5,8,19,18,24,25,6,30,3,10,4,9/rA:30CCNNCNCCONCCCCCCCFCCCCCFNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;s19;d20;s21;d22;s23;s23;s20d25;s10s14;s5w?27;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QPEGUWNBLFWXSU_on_Q14416_WT,High,ChEMBL30,CHEMBL1669391,CCCn1ccc2c(c(Cl)cc(-c3cc(F)c(OC)nc3)c2)c1=O,QPEGUWNBLFWXSU,QPEGUWNBLFWXSU-UHFFFAOYSA-N,"InChI=1S/C18H16ClFN2O2/c1-3-5-22-6-4-11-7-12(8-14(19)16(11)18(22)23)13-9-15(20)17(24-2)21-10-13/h4,6-10H,3,5H2,1-2H3","""AuxInfo=1/0/N:1,19,2,6,3,5,22,11,14,21,7,12,13,9,15,8,17,23,10,16,20,4,24,18/rA:24CCCNCCCCCClCCCCCFCOCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;s15;d15;s17;s18;s17;s13d20;s7d12;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-QPFWHHDALKWIKE_on_Q05586_WT,Low,ChEMBL30,CHEMBL595318,CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1,QPFWHHDALKWIKE,QPFWHHDALKWIKE-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O3S/c1-27(25,26)23-14-5-2-13(3-6-14)4-9-18(24)22-11-10-21-15-7-8-16(19)17(20)12-15/h2-3,5-8,12,21,23H,4,9-11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,26,10,7,27,25,24,11,16,15,19,9,6,18,22,20,12,23,21,17,14,5,13,3,4,2/E:(2,3)(5,6)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-QPFWHHDALKWIKE_on_Q13224_WT,Low,ChEMBL30,CHEMBL595318,CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1,QPFWHHDALKWIKE,QPFWHHDALKWIKE-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O3S/c1-27(25,26)23-14-5-2-13(3-6-14)4-9-18(24)22-11-10-21-15-7-8-16(19)17(20)12-15/h2-3,5-8,12,21,23H,4,9-11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,26,10,7,27,25,24,11,16,15,19,9,6,18,22,20,12,23,21,17,14,5,13,3,4,2/E:(2,3)(5,6)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-QPGKAVMWBQPWGX_on_P41594_WT,High,ChEMBL30,CHEMBL214874,Cc1nc(C#CCSc2ccccc2)ccc1,QPGKAVMWBQPWGX,QPGKAVMWBQPWGX-UHFFFAOYSA-N,"InChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3","""AuxInfo=1/0/N:1,12,11,13,16,6,17,15,5,10,14,7,2,4,9,3,8/E:(3,4)(10,11)/rA:17CCNCCCCSCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s9d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-QPKOIIBCWOWYSD_on_P41594_WT,Low,ChEMBL30,CHEMBL3655634,O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)cnc1,QPKOIIBCWOWYSD,QPKOIIBCWOWYSD-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5O2/c16-11-1-10(3-17-4-11)15(22)21-12-2-13(6-18-5-12)23-14-7-19-9-20-8-14/h1-9H,(H,21,22)","""AuxInfo=1/1/N:18,16,23,21,5,7,11,15,13,17,19,4,8,10,2,20,22,6,12,14,3,1,9/E:(7,8)(19,20)/rA:23OCNCCNCCOCCNCNCCCCCClCNC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QPQJBKGFJXNKHM_on_P18507_WT,Low,ChEMBL30,CHEMBL237695,CCCCc1cn(-c2ccc(Br)cc2)nn1,QPQJBKGFJXNKHM,QPQJBKGFJXNKHM-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-11-9-16(15-14-11)12-7-5-10(13)6-8-12/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,10,13,9,14,6,11,5,8,12,16,15,7/E:(5,6)(7,8)/rA:16CCCCCCNCCCCBrCCNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s7;s5d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QPQJBKGFJXNKHM_on_P47869_WT,Low,ChEMBL30,CHEMBL237695,CCCCc1cn(-c2ccc(Br)cc2)nn1,QPQJBKGFJXNKHM,QPQJBKGFJXNKHM-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-11-9-16(15-14-11)12-7-5-10(13)6-8-12/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,10,13,9,14,6,11,5,8,12,16,15,7/E:(5,6)(7,8)/rA:16CCCCCCNCCCCBrCCNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s7;s5d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QPQJBKGFJXNKHM_on_P47870_WT,Low,ChEMBL30,CHEMBL237695,CCCCc1cn(-c2ccc(Br)cc2)nn1,QPQJBKGFJXNKHM,QPQJBKGFJXNKHM-UHFFFAOYSA-N,"InChI=1S/C12H14BrN3/c1-2-3-4-11-9-16(15-14-11)12-7-5-10(13)6-8-12/h5-9H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,10,13,9,14,6,11,5,8,12,16,15,7/E:(5,6)(7,8)/rA:16CCCCCCNCCCCBrCCNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s7;s5d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QPVKEBZIYBSOLB_on_Q13255_WT,High,ChEMBL30,CHEMBL2397345,CC1CN(c2c(C#N)ccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,QPVKEBZIYBSOLB,QPVKEBZIYBSOLB-UHFFFAOYSA-N,"InChI=1S/C22H28N4O/c1-15-14-25(20-13-24-3-2-19(20)12-23)4-5-26(15)21(27)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-3,13,15-18H,4-11,14H2,1H3","""AuxInfo=1/0/N:1,9,10,13,14,21,23,25,27,19,26,7,12,3,2,22,20,24,6,5,16,18,8,11,4,15,17/E:(6,7,8)(9,10,11)(16,17,18)/rA:27CCCNCCCNCCNCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;t7;s6;d9;s10;s5d11;s4;s13;s2s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  5.850;  5.860,5.855,0.005,0.005,2.0,5.855,0.005
-QPVYTIVYFWELOH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106716,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)F,QPVYTIVYFWELOH,QPVYTIVYFWELOH-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-8-16(9-14(2)27-13)21-19-6-7-31-17(11-24)12-29(19)23(28-21)15-4-5-18(22(25)26)20(10-15)30-3/h4-5,8-10,17,22H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,15,1,26,27,18,19,10,16,4,22,24,11,14,5,9,21,28,17,3,8,29,6,23,30,31,13,7,25,2,20/E:(1,2)(8,9)(13,14)(25,26)/rA:31COCCCCNCCCCCNCCCCCCOCCFCNCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-QQBUKBJTUTUJSQ_on_P41594_WT,High,ChEMBL30,CHEMBL2334984,CC1CC1C(=O)Nc1c(-c2cccc(C3CCCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,QQBUKBJTUTUJSQ,QQBUKBJTUTUJSQ-UHFFFAOYSA-N,"InChI=1S/C26H27N5OS/c1-15-12-19(15)25(32)28-26-23(22-9-5-8-20(27-22)16-6-3-4-7-16)24(30-33-26)17-10-11-21-18(13-17)14-31(2)29-21/h5,8-11,13-16,19H,3-4,6-7,12H2,1-2H3,(H,28,32)","""AuxInfo=1/1/N:1,27,17,18,12,16,19,13,11,31,30,3,23,25,2,15,22,24,4,14,29,10,9,21,5,8,20,7,28,32,26,6,33/E:(3,4)(6,7)/rA:33CCCCCONCCCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s15s18;s10d14;s9;s21;d22;s23;d24;s25;s26;s26;s24d28;s29;s22d30;d21;s8s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-QQBUKBJTUTUJSQ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2334984;71559536,CC1CC1C(=O)Nc1c(-c2cccc(C3CCCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,QQBUKBJTUTUJSQ,QQBUKBJTUTUJSQ-UHFFFAOYSA-N,"InChI=1S/C26H27N5OS/c1-15-12-19(15)25(32)28-26-23(22-9-5-8-20(27-22)16-6-3-4-7-16)24(30-33-26)17-10-11-21-18(13-17)14-31(2)29-21/h5,8-11,13-16,19H,3-4,6-7,12H2,1-2H3,(H,28,32)","""AuxInfo=1/1/N:1,27,17,18,12,16,19,13,11,31,30,3,23,25,2,15,22,24,4,14,29,10,9,21,5,8,20,7,28,32,26,6,33/E:(3,4)(6,7)/rA:33CCCCCONCCCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s15s18;s10d14;s9;s21;d22;s23;d24;s25;s26;s26;s24d28;s29;s22d30;d21;s8s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545;PubChemAID:733653,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733653,2013,1;0,0,0,0,0;1,,=,  6.050;  6.050,6.05,0.0,0.0,2.0,6.05,0.0
-QQHCCUUUDODHIM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114419,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1C,QQHCCUUUDODHIM,QQHCCUUUDODHIM-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-4-5-15(10-20(13)30-3)23-28-21(16-8-14(2)27-18(9-16)22(25)26)19-6-7-31-17(11-24)12-29(19)23/h4-5,8-10,17,22H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:31,12,1,29,28,20,21,10,18,4,24,26,30,11,5,9,23,14,19,3,8,15,6,25,16,17,13,7,27,2,22/E:(25,26)/rA:31COCCCCNCCCCCNCCFFCCCCOCCFCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s24;s23;s6s19s26;d5;s28;s3d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-QQIBMZAMFFACSP_on_P14867_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826;CHEMBL677034,PMID:15027873,2004.0,PMID:15027873;PMID:15214791,2004,0,0,0,1,0,,=,  5.190;  5.190,5.19,0.0,0.0,2.0,5.19,0.0
-QQIBMZAMFFACSP_on_P18507_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709;CHEMBL677034;CHEMBL676826;CHEMBL678745;CHEMBL678741;CHEMBL681841,PMID:15214791,2004.0,PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873,2004,0,0,0,1,0,,=,  5.320;  5.850;  5.750;  5.190;  5.190;  5.320;  5.850;  5.750,5.527,0.27899999999999997,0.105,8.0,5.535,0.265
-QQIBMZAMFFACSP_on_P28472_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL680669;CHEMBL682709;CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791;PMID:15214791;PMID:15214791;PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873;PMID:15214791,2004,0,0,0,1,0,,=,  5.190;  5.320;  5.750;  5.320;  5.850;  5.750;  5.190;  5.850,5.527,0.27899999999999997,0.105,8.0,5.535,0.265
-QQIBMZAMFFACSP_on_P31644_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL678745,PMID:15027873,2004.0,PMID:15214791;PMID:15027873,2004,0,0,0,1,0,,=,  5.320;  5.320,5.32,0.0,0.0,2.0,5.32,0.0
-QQIBMZAMFFACSP_on_P34903_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL678741,PMID:15027873,2004.0,PMID:15214791;PMID:15027873,2004,0,0,0,1,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-QQIBMZAMFFACSP_on_P47869_WT,Low,ChEMBL30,CHEMBL54859,O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1,QQIBMZAMFFACSP,QQIBMZAMFFACSP-UHFFFAOYSA-N,"InChI=1S/C25H19N3O4/c29-22-18-10-4-5-11-19(18)23(30)26(22)14-15-27-24(31)20-12-6-7-13-21(20)25(32)28(27)16-17-8-2-1-3-9-17/h1-13H,14-16H2","""AuxInfo=1/0/N:30,29,31,6,7,21,20,28,32,5,8,22,19,12,13,26,27,4,3,17,18,9,2,15,23,11,14,25,10,1,16,24/E:(2,3)(4,5)(8,9)(10,11)(18,19)(22,23)(29,30)/rA:32OCCCCCCCCONCCNCOCCCCCCCONCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s18;d23;s14s23;s25;s26;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841;CHEMBL682709,PMID:15027873,2004.0,PMID:15027873;PMID:15214791,2004,0,0,0,1,0,,=,  5.750;  5.750,5.75,0.0,0.0,2.0,5.75,0.0
-QQIVOICVQUEJEG_on_P14867_WT,Low,ChEMBL30,CHEMBL118053,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)(F)F)cc1,QQIVOICVQUEJEG,QQIVOICVQUEJEG-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,24H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,25,17,24,4,15,18,7,3,6,12,2,20,21,22,23,5,13,14,1,19/E:(5,6)(7,8)(18,19,20)/rA:25OCCCNCCCCCCCNNCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-QQIVOICVQUEJEG_on_P18507_WT,Low,ChEMBL30,CHEMBL118053,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)(F)F)cc1,QQIVOICVQUEJEG,QQIVOICVQUEJEG-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,24H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,25,17,24,4,15,18,7,3,6,12,2,20,21,22,23,5,13,14,1,19/E:(5,6)(7,8)(18,19,20)/rA:25OCCCNCCCCCCCNNCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.130;  8.330,8.23,0.1,0.1,2.0,8.23,0.1
-QQIVOICVQUEJEG_on_P28472_WT,Low,ChEMBL30,CHEMBL118053,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)(F)F)cc1,QQIVOICVQUEJEG,QQIVOICVQUEJEG-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,24H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,25,17,24,4,15,18,7,3,6,12,2,20,21,22,23,5,13,14,1,19/E:(5,6)(7,8)(18,19,20)/rA:25OCCCNCCCCCCCNNCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.130;  8.330,8.23,0.1,0.1,2.0,8.23,0.1
-QQIVOICVQUEJEG_on_P34903_WT,Low,ChEMBL30,CHEMBL118053,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)(F)F)cc1,QQIVOICVQUEJEG,QQIVOICVQUEJEG-UHFFFAOYSA-N,"InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,24H,1-4H2","""AuxInfo=1/0/N:9,10,8,11,16,25,17,24,4,15,18,7,3,6,12,2,20,21,22,23,5,13,14,1,19/E:(5,6)(7,8)(18,19,20)/rA:25OCCCNCCCCCCCNNCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-QQKFLUBSTABOJV_on_Q05586_WT,Low,ChEMBL30,CHEMBL594615,CS(=O)(=O)Nc1ccc(CCCNCCNc2cc(Cl)c(Cl)cc2)cc1,QQKFLUBSTABOJV,QQKFLUBSTABOJV-UHFFFAOYSA-N,"InChI=1S/C18H23Cl2N3O2S/c1-26(24,25)23-15-6-4-14(5-7-15)3-2-10-21-11-12-22-16-8-9-17(19)18(20)13-16/h4-9,13,21-23H,2-3,10-12H2,1H3","""AuxInfo=1/0/N:1,11,10,8,25,7,26,24,23,12,14,15,18,9,6,17,21,19,22,20,13,16,5,3,4,2/E:(4,5)(6,7)(24,25)/CRV:26.6/rA:26CSOONCCCCCCCNCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s21;s17d23;s9;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QQKFLUBSTABOJV_on_Q13224_WT,Low,ChEMBL30,CHEMBL594615,CS(=O)(=O)Nc1ccc(CCCNCCNc2cc(Cl)c(Cl)cc2)cc1,QQKFLUBSTABOJV,QQKFLUBSTABOJV-UHFFFAOYSA-N,"InChI=1S/C18H23Cl2N3O2S/c1-26(24,25)23-15-6-4-14(5-7-15)3-2-10-21-11-12-22-16-8-9-17(19)18(20)13-16/h4-9,13,21-23H,2-3,10-12H2,1H3","""AuxInfo=1/0/N:1,11,10,8,25,7,26,24,23,12,14,15,18,9,6,17,21,19,22,20,13,16,5,3,4,2/E:(4,5)(6,7)(24,25)/CRV:26.6/rA:26CSOONCCCCCCCNCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s21;s17d23;s9;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QQKKCXYUPJTQBC_on_P14867_WT,Low,ChEMBL30,CHEMBL44916,Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,QQKKCXYUPJTQBC,QQKKCXYUPJTQBC-UHFFFAOYSA-N,"InChI=1S/C24H18N4OS/c1-15-14-30-23(27-15)20-11-19(18-6-4-16(12-25)5-7-18)22-21-13-26-9-8-17(21)3-2-10-28(22)24(20)29/h4-9,11,13-14H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,25,24,11,15,10,16,20,21,26,7,13,23,3,2,12,19,9,8,6,18,17,5,28,14,22,30,27,29,4/E:(4,5)(6,7)/rA:30CCCSCCCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;t13;s12;s9d15;d8;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17s26;s6s27;d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-QQKKCXYUPJTQBC_on_P18507_WT,Low,ChEMBL30,CHEMBL44916,Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,QQKKCXYUPJTQBC,QQKKCXYUPJTQBC-UHFFFAOYSA-N,"InChI=1S/C24H18N4OS/c1-15-14-30-23(27-15)20-11-19(18-6-4-16(12-25)5-7-18)22-21-13-26-9-8-17(21)3-2-10-28(22)24(20)29/h4-9,11,13-14H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,25,24,11,15,10,16,20,21,26,7,13,23,3,2,12,19,9,8,6,18,17,5,28,14,22,30,27,29,4/E:(4,5)(6,7)/rA:30CCCSCCCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;t13;s12;s9d15;d8;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17s26;s6s27;d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.510;  8.270,8.39,0.12,0.12,2.0,8.39,0.12
-QQKKCXYUPJTQBC_on_P28472_WT,Low,ChEMBL30,CHEMBL44916,Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,QQKKCXYUPJTQBC,QQKKCXYUPJTQBC-UHFFFAOYSA-N,"InChI=1S/C24H18N4OS/c1-15-14-30-23(27-15)20-11-19(18-6-4-16(12-25)5-7-18)22-21-13-26-9-8-17(21)3-2-10-28(22)24(20)29/h4-9,11,13-14H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,25,24,11,15,10,16,20,21,26,7,13,23,3,2,12,19,9,8,6,18,17,5,28,14,22,30,27,29,4/E:(4,5)(6,7)/rA:30CCCSCCCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;t13;s12;s9d15;d8;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17s26;s6s27;d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.270;  8.510,8.39,0.12,0.12,2.0,8.39,0.12
-QQKKCXYUPJTQBC_on_P34903_WT,Low,ChEMBL30,CHEMBL44916,Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,QQKKCXYUPJTQBC,QQKKCXYUPJTQBC-UHFFFAOYSA-N,"InChI=1S/C24H18N4OS/c1-15-14-30-23(27-15)20-11-19(18-6-4-16(12-25)5-7-18)22-21-13-26-9-8-17(21)3-2-10-28(22)24(20)29/h4-9,11,13-14H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,25,24,11,15,10,16,20,21,26,7,13,23,3,2,12,19,9,8,6,18,17,5,28,14,22,30,27,29,4/E:(4,5)(6,7)/rA:30CCCSCCCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;t13;s12;s9d15;d8;s17;d18;s19;d20;s21;s18d22;s19;s24;s25;s17s26;s6s27;d28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.510,8.51,0.0,0.0,1.0,8.51,0.0
-QQMLABYRAYYJBP_on_Q13255_WT,High,ChEMBL30,CHEMBL3634418,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(F)c2)occ1,QQMLABYRAYYJBP,QQMLABYRAYYJBP-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,27,26,24,2,7,15,14,22,10,3,4,20,12,23,6,11,5,21,13,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.660;  7.650,7.655,0.005,0.005,2.0,7.655,0.005
-QQMLABYRAYYJBP_on_Q14833_WT,High,ChEMBL30,CHEMBL3634418,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(F)c2)occ1,QQMLABYRAYYJBP,QQMLABYRAYYJBP-UHFFFAOYSA-N,"InChI=1S/C20H13FN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,27,26,24,2,7,15,14,22,10,3,4,20,12,23,6,11,5,21,13,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-QQOGRKFTARLUGX_on_P41594_WT,Medium,ChEMBL30,CHEMBL362372,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cc(Cl)ccc2)c1,QQOGRKFTARLUGX,QQOGRKFTARLUGX-UHFFFAOYSA-N,InChI=1S/C18H11ClFN5/c19-14-5-3-4-12(8-14)13-9-15(20)11-16(10-13)25-23-18(22-24-25)17-6-1-2-7-21-17/h1-11H,"""AuxInfo=1/0/N:13,12,23,24,22,14,11,19,25,16,3,18,17,20,2,4,9,8,21,1,10,7,15,6,5/rA:25FCCCNNNCCNCCCCNCCCCCClCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s20;d20;s22;s18d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QQONDVXXMVPYIB_on_O00591_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_O14764_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P14867_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P18505_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P18507_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P28472_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P31644_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P34903_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P47869_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P47870_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P48169_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_P78334_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_Q16445_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQONDVXXMVPYIB_on_Q99928_WT,Low,ChEMBL30,CHEMBL93312,COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1,QQONDVXXMVPYIB,QQONDVXXMVPYIB-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)","""AuxInfo=1/1/N:1,17,16,18,15,4,5,21,3,13,6,14,20,10,8,12,7,9,11,2,19/rA:21COCCCCNCNCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;s12;s9d13;s14;s15;s16;s13s17;s8;s6s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-QQOXEJSHKSCLQR_on_P41594_WT,High,ChEMBL30,CHEMBL3937112,Fc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1,QQOXEJSHKSCLQR,QQOXEJSHKSCLQR-UHFFFAOYSA-N,"InChI=1S/C24H16FN3/c25-21-19(16-10-4-1-5-11-16)20-22(17-12-6-2-7-13-17)27-28-24(20)26-23(21)18-14-8-3-9-15-18/h1-15H,(H,26,27,28)","""AuxInfo=1/1/N:7,26,17,6,8,25,27,16,18,5,9,24,28,15,19,4,23,14,3,10,2,22,13,11,1,12,21,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28FCCCCCCCCCCNCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;d10;s11;s2d12;s13;d14;s15;d16;s17;s14d18;s11;s20;s10d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-QQRIHRTVEDHQBP_on_P18507_WT,Low,ChEMBL30,CHEMBL585897,CCOC(=O)c1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,QQRIHRTVEDHQBP,QQRIHRTVEDHQBP-UHFFFAOYSA-N,"InChI=1S/C17H15BrN4O2/c1-3-24-17(23)13-7-21-8-15-10(2)19-9-22(15)14-5-4-11(18)6-12(14)16(21)20-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,12,2,21,22,18,7,9,14,11,19,17,6,16,10,23,4,20,13,24,8,15,5,3/rA:24CCOCOCCNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s11;d13;s10s14;s15;d16;s17;d18;s19;s19;s16d21;s8s17;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-QQRIHRTVEDHQBP_on_P28472_WT,Low,ChEMBL30,CHEMBL585897,CCOC(=O)c1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,QQRIHRTVEDHQBP,QQRIHRTVEDHQBP-UHFFFAOYSA-N,"InChI=1S/C17H15BrN4O2/c1-3-24-17(23)13-7-21-8-15-10(2)19-9-22(15)14-5-4-11(18)6-12(14)16(21)20-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,12,2,21,22,18,7,9,14,11,19,17,6,16,10,23,4,20,13,24,8,15,5,3/rA:24CCOCOCCNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s11;d13;s10s14;s15;d16;s17;d18;s19;s19;s16d21;s8s17;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-QQRIHRTVEDHQBP_on_P31644_WT,Low,ChEMBL30,CHEMBL585897,CCOC(=O)c1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,QQRIHRTVEDHQBP,QQRIHRTVEDHQBP-UHFFFAOYSA-N,"InChI=1S/C17H15BrN4O2/c1-3-24-17(23)13-7-21-8-15-10(2)19-9-22(15)14-5-4-11(18)6-12(14)16(21)20-13/h4-7,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,12,2,21,22,18,7,9,14,11,19,17,6,16,10,23,4,20,13,24,8,15,5,3/rA:24CCOCOCCNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s11;d13;s10s14;s15;d16;s17;d18;s19;s19;s16d21;s8s17;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-QQTYMXDYFHVSCU_on_Q05586_WT,Medium,ChEMBL30,CHEMBL164231,CC(NCc1c2nc(O)c(O)nc2cc(C#N)c1)P(=O)(O)O,QQTYMXDYFHVSCU,QQTYMXDYFHVSCU-UHFFFAOYSA-N,"InChI=1S/C12H13N4O5P/c1-6(22(19,20)21)14-5-8-2-7(4-13)3-9-10(8)16-12(18)11(17)15-9/h2-3,6,14H,5H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21)","""AuxInfo=1/1/N:1,18,14,16,4,2,15,5,13,6,10,8,17,3,12,7,11,9,20,21,22,19/E:(19,20,21)/rA:22CCNCCCNCOCONCCCCNCPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;t16;s5d15;s2;d19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-QQWXDAWSMPLECU_on_O00591_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_O14764_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P14867_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P18505_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P18507_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P28472_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P31644_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P34903_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P47869_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P47870_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P48169_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_P78334_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_Q16445_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQWXDAWSMPLECU_on_Q99928_WT,Low,ChEMBL30,CHEMBL53230,c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2,QQWXDAWSMPLECU,QQWXDAWSMPLECU-UHFFFAOYSA-N,"InChI=1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H","""AuxInfo=1/0/N:2,18,1,17,3,19,6,16,10,11,4,9,14,5,15,12,13,8,20,7/rA:20CCCCCCNCCCCCCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-QQXJSYFEJVOQLZ_on_O00591_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_O14764_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P18505_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P34903_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P47869_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P47870_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P48169_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_P78334_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.920;  6.720,6.82,0.1,0.1,2.0,6.82,0.1
-QQXJSYFEJVOQLZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL1192836,N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1,QQXJSYFEJVOQLZ,QQXJSYFEJVOQLZ-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13/h1-10,19H,11H2,(H,21,23)","""AuxInfo=1/1/N:13,12,14,6,7,11,15,5,8,20,18,10,19,4,3,21,9,2,1,16,23,17,22,24/E:(2,3)(6,7)/rA:24NCCCCCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;s9;d10;s11;d12;s13;s10d14;d9;s2s16;s17;s18;d19;s20;s21;d21;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.720;  6.920,6.82,0.1,0.1,2.0,6.82,0.1
-QQYIWENGMXJJRT_on_P41594_WT,High,ChEMBL30,CHEMBL1951664,CCc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,QQYIWENGMXJJRT,QQYIWENGMXJJRT-UHFFFAOYSA-N,"InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,9,20,8,3,6,10,15,14,11,13,22,21,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-QQYIWENGMXJJRT_on_Q13255_WT,High,ChEMBL30,CHEMBL1951664,CCc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,QQYIWENGMXJJRT,QQYIWENGMXJJRT-UHFFFAOYSA-N,"InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,9,20,8,3,6,10,15,14,11,13,22,21,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCCCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-QRCXJTCUOWYLCL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3958322,COC1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CC1(C)C,QRCXJTCUOWYLCL,QRCXJTCUOWYLCL-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O2/c1-19(2)11-24(17(25)16(19)26-3)18-22-9-12(10-23-18)4-5-13-8-14(20)6-7-15(13)21/h6-10,16H,11H2,1-3H3","""AuxInfo=1/0/N:25,26,1,11,12,17,18,14,9,21,23,10,13,15,19,3,4,7,24,16,20,8,22,6,5,2/E:(1,2)(9,10)(22,23)/rA:26COCCONCNCCCCCCCFCCCFCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;s15;d15;s17;s13d18;s19;s10;s7d21;s6;s3s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-QRDLZBLGRAZEKJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3936392,CN1C(=O)N(c2ccc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C,QRDLZBLGRAZEKJ,QRDLZBLGRAZEKJ-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3O/c1-20(2)10-11-25(19(26)24(20)3)18-9-5-14(13-23-18)4-6-15-12-16(21)7-8-17(15)22/h5,7-9,12-13H,10-11H2,1-3H3","""AuxInfo=1/0/N:25,26,1,10,8,11,16,17,7,23,22,13,20,9,12,14,18,6,3,24,15,19,21,2,5,4/E:(1,2)/rA:26CNCONCCCCCCCCCFCCCFCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s18;s9;s6d20;s5;s22;s2s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-QREADFCBKOHQEP_on_Q14833_WT,High,ChEMBL30,CHEMBL4083118,ON=c1cc(-c2ncc3ccccc3c2)oc2c1ccc(CCc1ccccc1)c2,QREADFCBKOHQEP,QREADFCBKOHQEP-UHFFFAOYSA-N,"InChI=1S/C26H20N2O2/c29-28-23-16-26(24-15-20-8-4-5-9-21(20)17-27-24)30-25-14-19(12-13-22(23)25)11-10-18-6-2-1-3-7-18/h1-9,12-17,29H,10-11H2","""AuxInfo=1/0/N:27,26,28,12,11,25,29,13,10,23,22,20,19,30,15,4,8,24,21,14,9,18,3,6,17,5,7,2,1,16/E:(2,3)(6,7)/rA:30ONCCCCNCCCCCCCCOCCCCCCCCCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-QRGMPDLSQNWAOC_on_P41594_WT,High,ChEMBL30,CHEMBL3736079,CC(C)Cc1noc(C2CCc3c(C2)nnn3C(C)(C)C)n1,QRGMPDLSQNWAOC,QRGMPDLSQNWAOC-UHFFFAOYSA-N,"InChI=1S/C16H25N5O/c1-10(2)8-14-17-15(22-19-14)11-6-7-13-12(9-11)18-20-21(13)16(3,4)5/h10-11H,6-9H2,1-5H3","""AuxInfo=1/0/N:1,3,19,20,21,10,11,4,14,2,9,13,12,5,8,18,22,15,6,16,17,7/E:(1,2)(3,4,5)/rA:22CCCCCNOCCCCCCCNNNCCCCN/rB:s1;s2;s2;s4;d5;s6;s7;s8;s9;s10;s11;d12;s9s13;s13;d15;s12s16;s17;s18;s18;s18;s5d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QRGPVEFHPQKWBK_on_P31644_WT,High,ChEMBL30,CHEMBL3681555,Cc1c(COc2ccc(C(=O)NC(C)C(F)(F)F)cn2)c(-c2ccc(Cl)cc2)no1,QRGPVEFHPQKWBK,QRGPVEFHPQKWBK-UHFFFAOYSA-N,"InChI=1S/C20H17ClF3N3O3/c1-11-16(18(27-30-11)13-3-6-15(21)7-4-13)10-29-17-8-5-14(9-25-17)19(28)26-12(2)20(22,23)24/h3-9,12H,10H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,14,23,28,8,24,27,7,19,4,2,13,22,9,25,3,6,21,10,15,26,16,17,18,20,12,29,11,5,30/E:(3,4)(6,7)(22,23,24)/rA:30CCCCOCCCCCONCCCFFFCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s15;s15;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-QRNJSBNMWQJRHF_on_P41594_WT,Low,ChEMBL30,CHEMBL3314810,O=C(Nc1nccc(Oc2cccnc2)n1)c1cc(Cl)ccc1,QRNJSBNMWQJRHF,QRNJSBNMWQJRHF-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O2/c17-12-4-1-3-11(9-12)15(22)21-16-19-8-6-14(20-16)23-13-5-2-7-18-10-13/h1-10H,(H,19,20,21,22)","""AuxInfo=1/1/N:22,12,23,21,11,7,13,6,18,15,17,19,10,8,2,4,20,14,5,16,3,1,9/rA:23OCNCNCCCOCCCCNCNCCCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRPRFFOTUBRFFO_on_Q14416_WT,High,ChEMBL30,CHEMBL595587,N#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CCC3CC3)cnc12,QRPRFFOTUBRFFO,QRPRFFOTUBRFFO-UHFFFAOYSA-N,"InChI=1S/C21H23N7/c22-14-18-19(26-10-12-27(13-11-26)21-23-7-1-8-24-21)6-9-28-17(15-25-20(18)28)5-4-16-2-3-16/h1,6-9,15-16H,2-5,10-13H2","""AuxInfo=1/0/N:12,24,25,22,21,17,11,13,18,6,16,7,15,2,26,23,20,3,4,28,9,1,10,14,27,5,8,19/E:(2,3)(7,8)(10,11)(12,13)(23,24)/rA:28NCCCNCCNCNCCCNCCCCNCCCCCCCNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s22;s23;s23s24;d20;s26;s3s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QRQZDZPCRVUFNL_on_O15399_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_O60391_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_Q05586_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_Q12879_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_Q13224_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRQZDZPCRVUFNL_on_Q14957_WT,Low,ChEMBL30,CHEMBL28833,CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,QRQZDZPCRVUFNL,QRQZDZPCRVUFNL-UHFFFAOYSA-N,"InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,3,18,5,25,6,24,20,10,22,9,23,14,12,4,13,7,17,16,21,15,11,8/E:(6,7)(8,9)(11,12)(13,14)/rA:25CCCCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;s16d20;s11;s8s22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QRRWZRWYDBHGIU_on_Q05586_WT,Low,ChEMBL30,CHEMBL402979,O=C(CN1CCC(Cc2ccc(N=C=S)cc2)CC1)c1ccc(O)cc1,QRRWZRWYDBHGIU,QRRWZRWYDBHGIU-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2","""AuxInfo=1/0/N:10,17,21,26,11,16,22,25,6,18,5,19,8,3,14,9,7,20,12,23,2,13,4,24,1,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCNCCCCCCCCNCSCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;d14;s12;s9d16;s7;s4s18;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL933585;CHEMBL933581;CHEMBL929340,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  4.800;  4.800;  3.244,4.281000000000001,0.7340000000000001,0.519,3.0,4.8,0.0
-QRRWZRWYDBHGIU_on_Q12879_WT,Low,ChEMBL30,CHEMBL402979,O=C(CN1CCC(Cc2ccc(N=C=S)cc2)CC1)c1ccc(O)cc1,QRRWZRWYDBHGIU,QRRWZRWYDBHGIU-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2","""AuxInfo=1/0/N:10,17,21,26,11,16,22,25,6,18,5,19,8,3,14,9,7,20,12,23,2,13,4,24,1,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCNCCCCCCCCNCSCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;d14;s12;s9d16;s7;s4s18;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL933585,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-QRRWZRWYDBHGIU_on_Q13224_WT,Low,ChEMBL30,CHEMBL402979,O=C(CN1CCC(Cc2ccc(N=C=S)cc2)CC1)c1ccc(O)cc1,QRRWZRWYDBHGIU,QRRWZRWYDBHGIU-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2","""AuxInfo=1/0/N:10,17,21,26,11,16,22,25,6,18,5,19,8,3,14,9,7,20,12,23,2,13,4,24,1,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26OCCNCCCCCCCCNCSCCCCCCCCOCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;d14;s12;s9d16;s7;s4s18;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL929340;CHEMBL933581,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  3.244;  4.800,4.022,0.778,0.778,2.0,4.022,0.778
-QRVCWZSQSJQWPT_on_P41594_WT,High,ChEMBL30,CHEMBL594993,Cc1ncc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1,QRVCWZSQSJQWPT,QRVCWZSQSJQWPT-UHFFFAOYSA-N,"InChI=1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,16,15,17,22,9,21,8,14,18,19,4,2,10,5,7,11,3,20,6,13,12/E:(3,4)(9,10)/rA:22CCNCCNCCCCCONCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s15;s16;s13s17;s10;s7d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-QRWURIWWBKIGEH_on_Q05586_WT,Low,ChEMBL30,CHEMBL4211247,CN(C)C(=O)Cn1ccc2c1cc(-c1ccc(Cl)s1)cn2,QRWURIWWBKIGEH,QRWURIWWBKIGEH-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3OS/c1-18(2)15(20)9-19-6-5-11-12(19)7-10(8-17-11)13-3-4-14(16)21-13/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,9,8,12,20,6,13,10,11,14,17,4,18,21,2,7,5,19/E:(1,2)/rA:21CNCCOCNCCCCCCCCCCClSCN/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;d16;s17;s14s17;s13;s10d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4339649;CHEMBL4194320,PMID:28947933,2017.0,PMID:30891123;PMID:28947933,2019;2017,1,0,0,0,0,,=,  7.500;  8.200,7.85,0.35,0.35,2.0,7.85,0.35
-QRWURIWWBKIGEH_on_Q13224_WT,Low,ChEMBL30,CHEMBL4211247,CN(C)C(=O)Cn1ccc2c1cc(-c1ccc(Cl)s1)cn2,QRWURIWWBKIGEH,QRWURIWWBKIGEH-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3OS/c1-18(2)15(20)9-19-6-5-11-12(19)7-10(8-17-11)13-3-4-14(16)21-13/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,15,16,9,8,12,20,6,13,10,11,14,17,4,18,21,2,7,5,19/E:(1,2)/rA:21CNCCOCNCCCCCCCCCCClSCN/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;d16;s17;s14s17;s13;s10d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320;CHEMBL4339649,PMID:28947933,2017.0,PMID:28947933;PMID:30891123,2017;2019,1,0,0,0,0,,=,  8.200;  7.500,7.85,0.35,0.35,2.0,7.85,0.35
-QRZNWQBPKJMWHT_on_P14867_WT,Medium,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QRZNWQBPKJMWHT_on_P18507_WT,Low,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL683045;CHEMBL683046;CHEMBL685337;CHEMBL822162;CHEMBL824294;CHEMBL823761,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.730;  8.400;  8.210;  8.480;  7.130;  7.130;  8.480;  8.210;  7.730;  8.400,7.99,0.503,0.168,10.0,8.21,0.27
-QRZNWQBPKJMWHT_on_P28472_WT,Low,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823761;CHEMBL824294;CHEMBL681248;CHEMBL683045;CHEMBL682251;CHEMBL681480;CHEMBL678329;CHEMBL685337;CHEMBL822162;CHEMBL683046,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158,1998;1998;2000;2000;2000;2000;2000;1998;1998;1998,0,0,0,1,0,,=,  8.400;  7.730;  7.730;  7.130;  8.400;  8.480;  8.210;  8.480;  8.210;  7.130,7.99,0.503,0.168,10.0,8.21,0.27
-QRZNWQBPKJMWHT_on_P31644_WT,Medium,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QRZNWQBPKJMWHT_on_P34903_WT,Low,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.400;  8.400,8.4,0.0,0.0,2.0,8.4,0.0
-QRZNWQBPKJMWHT_on_P47869_WT,Low,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.730;  7.730,7.73,0.0,0.0,2.0,7.73,0.0
-QRZNWQBPKJMWHT_on_Q16445_WT,Low,ChEMBL30,CHEMBL85861,CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC,QRZNWQBPKJMWHT,QRZNWQBPKJMWHT-UHFFFAOYSA-N,"InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3","""AuxInfo=1/0/N:24,1,16,19,23,2,13,20,8,22,12,11,9,14,17,21,6,4,7,10,5,15,18,3/rA:24CCOCOCNCCNCCCCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s17;s18;s11d17;s9s12;s6d21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046;CHEMBL683045,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.130;  7.130,7.13,0.0,0.0,2.0,7.13,0.0
-QSAXYXZBPFYFMV_on_P18507_WT,Low,ChEMBL30,CHEMBL441131,CCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,QSAXYXZBPFYFMV,QSAXYXZBPFYFMV-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-18-19-20(8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,5,13,4,10,19,9,14,11,20,15,16,17,6,7,8/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QSAXYXZBPFYFMV_on_P47869_WT,Low,ChEMBL30,CHEMBL441131,CCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,QSAXYXZBPFYFMV,QSAXYXZBPFYFMV-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-18-19-20(8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,5,13,4,10,19,9,14,11,20,15,16,17,6,7,8/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QSAXYXZBPFYFMV_on_P47870_WT,Low,ChEMBL30,CHEMBL441131,CCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,QSAXYXZBPFYFMV,QSAXYXZBPFYFMV-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-18-19-20(8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,5,13,4,10,19,9,14,11,20,15,16,17,6,7,8/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-QSBFNERLQPXCDQ_on_P14867_WT,Low,ChEMBL30,CHEMBL383788,CC(C)Oc1nncc(-c2cc(Br)ccc2)c1,QSBFNERLQPXCDQ,QSBFNERLQPXCDQ-UHFFFAOYSA-N,"InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,6,4/E:(1,2)/rA:17CCCOCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-QSBFNERLQPXCDQ_on_P18507_WT,Low,ChEMBL30,CHEMBL383788,CC(C)Oc1nncc(-c2cc(Br)ccc2)c1,QSBFNERLQPXCDQ,QSBFNERLQPXCDQ-UHFFFAOYSA-N,"InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,6,4/E:(1,2)/rA:17CCCOCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.220;  7.440;  7.580,7.412999999999999,0.14800000000000002,0.105,3.0,7.44,0.14
-QSBFNERLQPXCDQ_on_P28472_WT,Low,ChEMBL30,CHEMBL383788,CC(C)Oc1nncc(-c2cc(Br)ccc2)c1,QSBFNERLQPXCDQ,QSBFNERLQPXCDQ-UHFFFAOYSA-N,"InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,6,4/E:(1,2)/rA:17CCCOCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.220;  7.580;  7.440,7.412999999999999,0.14800000000000002,0.105,3.0,7.44,0.14
-QSBFNERLQPXCDQ_on_P31644_WT,Low,ChEMBL30,CHEMBL383788,CC(C)Oc1nncc(-c2cc(Br)ccc2)c1,QSBFNERLQPXCDQ,QSBFNERLQPXCDQ-UHFFFAOYSA-N,"InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,6,4/E:(1,2)/rA:17CCCOCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-QSBFNERLQPXCDQ_on_P34903_WT,Low,ChEMBL30,CHEMBL383788,CC(C)Oc1nncc(-c2cc(Br)ccc2)c1,QSBFNERLQPXCDQ,QSBFNERLQPXCDQ-UHFFFAOYSA-N,"InChI=1S/C13H13BrN2O/c1-9(2)17-13-7-11(8-15-16-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3","""AuxInfo=1/0/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,6,4/E:(1,2)/rA:17CCCOCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-QSEBFHRZNPGODU_on_P14867_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.840,8.84,0.0,0.0,1.0,8.84,0.0
-QSEBFHRZNPGODU_on_P18507_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863773;CHEMBL863774;CHEMBL862572;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.640;  8.560;  8.910;  8.840,8.738,0.14300000000000002,0.08199999999999999,4.0,8.74,0.135
-QSEBFHRZNPGODU_on_P28472_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863774;CHEMBL863772;CHEMBL863773;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.560;  8.840;  8.640;  8.910,8.738,0.14300000000000002,0.08199999999999999,4.0,8.74,0.135
-QSEBFHRZNPGODU_on_P31644_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.910,8.91,0.0,0.0,1.0,8.91,0.0
-QSEBFHRZNPGODU_on_P34903_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.560,8.56,0.0,0.0,1.0,8.56,0.0
-QSEBFHRZNPGODU_on_P47869_WT,Low,ChEMBL30,CHEMBL203732,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1,QSEBFHRZNPGODU,QSEBFHRZNPGODU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)17-10-24-26-16(9-23-18(26)25-17)11-3-5-14(21)13(7-11)15-6-4-12(20)8-22-15/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,24,16,23,15,12,19,9,27,11,17,13,21,14,10,5,7,2,18,22,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCCCFCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-QSIWDQVMNMOORS_on_P31644_WT,High,ChEMBL30,CHEMBL3681501,Cc1c(COc2ccc(C(=O)NC(CO)CO)cn2)c(-c2ccccc2)no1,QSIWDQVMNMOORS,QSIWDQVMNMOORS-UHFFFAOYSA-N,"InChI=1S/C20H21N3O5/c1-13-17(19(23-28-13)14-5-3-2-4-6-14)12-27-18-8-7-15(9-21-18)20(26)22-16(10-24)11-25/h2-9,16,24-25H,10-12H2,1H3,(H,22,26)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,18,14,16,4,2,21,9,13,3,6,20,10,19,12,27,15,17,11,5,28/E:(3,4)(5,6)(10,11)(24,25)/rA:28CCCCOCCCCCONCCOCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s13;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-QSMXXTRLUCIQSH_on_Q14416_WT,High,ChEMBL30,CHEMBL2179317,FC(F)(F)C1(c2ccccc2)CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1,QSMXXTRLUCIQSH,QSMXXTRLUCIQSH-UHFFFAOYSA-N,"InChI=1S/C22H22ClF3N4/c23-19-17(8-11-30-18(14-15-6-7-15)27-28-20(19)30)29-12-9-21(10-13-29,22(24,25)26)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2","""AuxInfo=1/0/N:9,8,10,7,11,24,25,28,12,30,27,13,29,22,23,6,15,21,16,18,5,2,17,1,3,4,20,19,14,26/E:(2,3)(4,5)(6,7)(9,10)(12,13)(24,25,26)/rA:30FCFFCCCCCCCCCNCCClCNNCCCCCNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s6d10;s5;s12;s13;s14;d15;s16;s16;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s15d27;s14;s5s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-QSNQXCLTDBTOIU_on_Q14416_WT,Low,ChEMBL30,CHEMBL489624,COc1c(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)cccc1O,QSNQXCLTDBTOIU,QSNQXCLTDBTOIU-UHFFFAOYSA-N,"InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,14,19,15,18,12,8,21,11,9,20,13,7,16,4,25,5,3,17,10,26,6,2/E:(5,6)(7,8)(10,11)(13,14)/rA:26COCCCOCCCNCCCCCCFCCCCCCCCO/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s10;s7s20;s4;d22;s23;s3d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4627016;CHEMBL4627015;CHEMBL4627014;CHEMBL4627015;CHEMBL4627016;CHEMBL4627014,PMID:32815361,2020.0,PMID:32815361,2020,1,0,0,0,0,,=,  8.040;  7.660;  7.640;  7.660;  8.040;  7.640,7.78,0.184,0.08199999999999999,6.0,7.66,0.02
-QSTDCUJNEBAZGO_on_Q14416_WT,High,ChEMBL30,CHEMBL124078,NC(CC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O,QSTDCUJNEBAZGO,QSTDCUJNEBAZGO-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c21-20(19(24)25,17-11-15(17)18(22)23)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,21,3,5,11,22,4,20,23,17,2,1,24,25,18,19/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;s2;d17;s17;s2;s20;s20s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203,PMID:9464366,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-QSTDCUJNEBAZGO_on_Q14832_WT,High,ChEMBL30,CHEMBL124078,NC(CC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O,QSTDCUJNEBAZGO,QSTDCUJNEBAZGO-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c21-20(19(24)25,17-11-15(17)18(22)23)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,21,3,5,11,22,4,20,23,17,2,1,24,25,18,19/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(22,23)(24,25)/rA:25NCCCCCCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s12;d13;s14;s11d15;s2;d17;s17;s2;s20;s20s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464366,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-QSUYWLBCUKQRND_on_P41594_WT,High,ChEMBL30,CHEMBL2205921,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,QSUYWLBCUKQRND,QSUYWLBCUKQRND-UHFFFAOYSA-N,"InChI=1S/C17H15N5OS/c1-10-4-6-11(7-5-10)22-9-20-13-12-15(21(2)3)18-8-19-16(12)24-14(13)17(22)23/h4-9H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,19,7,2,5,13,9,10,14,12,21,18,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QSUYWLBCUKQRND_on_Q13255_WT,High,ChEMBL30,CHEMBL2205921,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,QSUYWLBCUKQRND,QSUYWLBCUKQRND-UHFFFAOYSA-N,"InChI=1S/C17H15N5OS/c1-10-4-6-11(7-5-10)22-9-20-13-12-15(21(2)3)18-8-19-16(12)24-14(13)17(22)23/h4-9H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,19,7,2,5,13,9,10,14,12,21,18,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QSVVEAXWJNNLQP_on_O15399_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_O60391_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QSVVEAXWJNNLQP_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365782,CC(C)(C)c1ccc(C=NN=C(N)N)cc1,QSVVEAXWJNNLQP,QSVVEAXWJNNLQP-UHFFFAOYSA-N,"InChI=1S/C12H18N4/c1-12(2,3)10-6-4-9(5-7-10)8-15-16-11(13)14/h4-8H,1-3H3,(H4,13,14,16)","""AuxInfo=1/1/N:1,3,4,7,15,6,16,9,8,5,12,2,13,14,10,11/E:(1,2,3)(4,5)(6,7)(13,14)/rA:16CCCCCCCCCNNCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;w?9;s10;w?11;s12;s12;s8;s5d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QTAGQHZOLRFCBU_on_P14867_WT,Low,ChEMBL30,CHEMBL510120,CC1(C)OC1COc1c2ccoc2cc2c1ccc(=O)o2,QTAGQHZOLRFCBU,QTAGQHZOLRFCBU-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,10,11,14,6,16,9,13,15,5,19,8,2,20,12,7,21,4/E:(1,2)/rA:21CCCOCCOCCCCOCCCCCCCOO/rB:s1;s2;s2;s2s4;s5;s6;s7;d8;s9;d10;s11;s9s12;d13;s14;s8d15;s16;d17;s18;d19;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-QTAGQHZOLRFCBU_on_P18507_WT,Low,ChEMBL30,CHEMBL510120,CC1(C)OC1COc1c2ccoc2cc2c1ccc(=O)o2,QTAGQHZOLRFCBU,QTAGQHZOLRFCBU-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,10,11,14,6,16,9,13,15,5,19,8,2,20,12,7,21,4/E:(1,2)/rA:21CCCOCCOCCCCOCCCCCCCOO/rB:s1;s2;s2;s2s4;s5;s6;s7;d8;s9;d10;s11;s9s12;d13;s14;s8d15;s16;d17;s18;d19;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-QTAGQHZOLRFCBU_on_P47870_WT,Low,ChEMBL30,CHEMBL510120,CC1(C)OC1COc1c2ccoc2cc2c1ccc(=O)o2,QTAGQHZOLRFCBU,QTAGQHZOLRFCBU-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3","""AuxInfo=1/0/N:1,3,17,18,10,11,14,6,16,9,13,15,5,19,8,2,20,12,7,21,4/E:(1,2)/rA:21CCCOCCOCCCCOCCCCCCCOO/rB:s1;s2;s2;s2s4;s5;s6;s7;d8;s9;d10;s11;s9s12;d13;s14;s8d15;s16;d17;s18;d19;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4348569,PMID:30928713,2019.0,PMID:30928713,2019,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-QTALUAWSOSSAIK_on_P41594_WT,High,ChEMBL30,CHEMBL1779883,Cc1ccc(C#Cc2ccc3C(=O)N(C4CCCCC4)CCc3n2)cc1,QTALUAWSOSSAIK,QTALUAWSOSSAIK-UHFFFAOYSA-N,"InChI=1S/C23H24N2O/c1-17-7-9-18(10-8-17)11-12-19-13-14-21-22(24-19)15-16-25(23(21)26)20-5-3-2-4-6-20/h7-10,13-14,20H,2-6,15-16H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,3,26,4,25,6,7,9,10,22,21,2,5,8,15,11,23,12,24,14,13/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCCCCCCCCCCONCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s14;s21;s11s22;s8d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,0,0,1,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-QTDFGJQBWXLAFI_on_P41594_WT,High,ChEMBL30,CHEMBL3644403,O=C1CN=C(n2cnc(-c3ccncc3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,QTDFGJQBWXLAFI,QTDFGJQBWXLAFI-UHFFFAOYSA-N,"InChI=1S/C24H21N5O/c30-24-13-26-23(28-14-21(27-15-28)17-6-9-25-10-7-17)12-22-20-3-1-2-18(16-4-5-16)19(20)8-11-29(22)24/h1-3,6-7,9-10,12,14-16H,4-5,8,11,13H2","""AuxInfo=1/0/N:29,28,30,26,27,11,15,21,12,14,22,17,3,16,7,25,10,24,20,19,9,18,5,2,13,4,8,6,23,1/E:(4,5)(6,7)(9,10)/rA:30OCCNCNCNCCCCNCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s6d9;s5;w?17;s18;d19;s20;s21;s2s18s22;s20;s24;s25;s25s26;d24;s28;s19d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-QTDFGJQBWXLAFI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644403,O=C1CN=C(n2cnc(-c3ccncc3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,QTDFGJQBWXLAFI,QTDFGJQBWXLAFI-UHFFFAOYSA-N,"InChI=1S/C24H21N5O/c30-24-13-26-23(28-14-21(27-15-28)17-6-9-25-10-7-17)12-22-20-3-1-2-18(16-4-5-16)19(20)8-11-29(22)24/h1-3,6-7,9-10,12,14-16H,4-5,8,11,13H2","""AuxInfo=1/0/N:29,28,30,26,27,11,15,21,12,14,22,17,3,16,7,25,10,24,20,19,9,18,5,2,13,4,8,6,23,1/E:(4,5)(6,7)(9,10)/rA:30OCCNCNCNCCCCNCCCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s6d9;s5;w?17;s18;d19;s20;s21;s2s18s22;s20;s24;s25;s25s26;d24;s28;s19d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-QTDNCWWHRMDXCC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087219;72546755,COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(OC)c1)C2,QTDNCWWHRMDXCC,QTDNCWWHRMDXCC-UHFFFAOYSA-N,"InChI=1S/C18H21NO4/c1-22-16-5-3-4-13(10-16)8-9-18(21)11-14-6-7-15(12-18)19(14)17(20)23-2/h3-5,10,14-15,21H,6-7,11-12H2,1-2H3","""AuxInfo=1/0/N:21,1,17,16,18,7,8,14,13,22,23,10,15,6,9,19,3,11,5,4,12,20,2/E:(6,7)(11,12)(14,15)/rA:23COCONCCCCCCOCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;s20;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  7.120;  7.117,7.119,0.002,0.002,2.0,7.119,0.002
-QTEBXBALJGPXEP_on_P14867_WT,Low,ChEMBL30,CHEMBL195164,Oc1noc(C2CCNCC2)c1-c1ccccc1,QTEBXBALJGPXEP,QTEBXBALJGPXEP-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)","""AuxInfo=1/1/N:16,15,17,14,18,7,11,8,10,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:18OCNOCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QTEBXBALJGPXEP_on_P18507_WT,Low,ChEMBL30,CHEMBL195164,Oc1noc(C2CCNCC2)c1-c1ccccc1,QTEBXBALJGPXEP,QTEBXBALJGPXEP-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)","""AuxInfo=1/1/N:16,15,17,14,18,7,11,8,10,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:18OCNOCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QTEBXBALJGPXEP_on_P28472_WT,Low,ChEMBL30,CHEMBL195164,Oc1noc(C2CCNCC2)c1-c1ccccc1,QTEBXBALJGPXEP,QTEBXBALJGPXEP-UHFFFAOYSA-N,"InChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)","""AuxInfo=1/1/N:16,15,17,14,18,7,11,8,10,13,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:18OCNOCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QTEUJQNPMLXVLL_on_O00591_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_O14764_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P14867_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P18505_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P18507_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P28472_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P31644_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P34903_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P47869_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P47870_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P48169_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_P78334_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_Q16445_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTEUJQNPMLXVLL_on_Q99928_WT,Low,ChEMBL30,CHEMBL80610,CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1,QTEUJQNPMLXVLL,QTEUJQNPMLXVLL-UHFFFAOYSA-N,"InChI=1S/C21H19N5/c1-25-7-6-15(12-25)18-11-23-19-4-3-16(9-17(18)19)26-13-24-20-8-14(10-22)2-5-21(20)26/h2-5,8-9,11,13,15,23H,6-7,12H2,1H3","""AuxInfo=1/0/N:1,21,24,25,22,4,3,17,11,19,7,26,14,18,5,12,10,6,9,16,23,20,8,15,2,13/rA:26CNCCCCCNCCCCNCNCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;t19;d18;s21;s13s16d22;s12;s9d24;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QTHCZDUXHPLQRH_on_P41594_WT,Medium,ChEMBL30,CHEMBL501020,Cc1nc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1,QTHCZDUXHPLQRH,QTHCZDUXHPLQRH-UHFFFAOYSA-N,"InChI=1S/C19H16N2O/c1-14-6-5-9-18(20-14)21-19(22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,15,14,16,21,22,13,17,20,10,18,9,19,2,12,11,8,4,6,3,5,7/E:(3,4)(7,8)(10,11)(12,13)/rA:22CCNCNCOCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s11;s8d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-QTIGEWLADLHQGT_on_P41594_WT,High,ChEMBL30,CHEMBL2338571,COc1ccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)cc1,QTIGEWLADLHQGT,QTIGEWLADLHQGT-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-27-19-10-8-14(9-11-19)20(25)23-17-6-3-7-18(13-17)24-21(26)15-4-2-5-16(22)12-15/h2,4-5,8-12,17-18H,3,6-7,13H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,23,12,24,22,11,13,5,26,4,27,19,25,6,18,20,10,14,3,7,16,21,9,15,8,17,2/E:(8,9)(10,11)/rA:27COCCCCCONCCCCCNCOCCCClCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;s20;d20;s22;s18d23;s10s14;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;CHEMBL2343303,PMID:23357634,2013.0,PMID:23357634,2013,1;0,0,0,0;1,0,,=,  6.580;  6.170,6.375,0.205,0.205,2.0,6.375,0.205
-QTIZYQSFIRXSHJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771644;CHEMBL1771654;CHEMBL1771655;CHEMBL1771644,O=C(C1CCC1)N1CCCC1c1nc(-c2cc(F)ccc2)no1,QTIZYQSFIRXSHJ,QTIZYQSFIRXSHJ-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O2/c18-13-7-2-6-12(10-13)15-19-16(23-20-15)14-8-3-9-21(14)17(22)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2","""AuxInfo=1/0/N:5,20,9,4,6,21,19,10,8,16,3,15,17,11,14,12,2,18,13,22,7,1,23/E:(4,5)/rA:23OCCCCCNCCCCCNCCCCFCCCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s7s10;s11;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.820;  6.280;  5.160;  5.820,5.77,0.39899999999999997,0.23,4.0,5.82,0.23
-QTJROJPHQVVSJN_on_P31644_WT,High,ChEMBL30,CHEMBL3676463,Cc1c(COc2ccc(C(=O)NCC(F)F)cn2)c(-c2ccccc2)no1,QTJROJPHQVVSJN,QTJROJPHQVVSJN-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O3/c1-12-15(18(24-27-12)13-5-3-2-4-6-13)11-26-17-8-7-14(9-22-17)19(25)23-10-16(20)21/h2-9,16H,10-11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,23,22,24,21,25,8,7,17,13,4,2,20,9,3,14,6,19,10,15,16,18,12,26,11,5,27/E:(3,4)(5,6)(20,21)/rA:27CCCCOCCCCCONCCFFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-QTJXKMGCYZWWDX_on_O00591_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_O14764_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P14867_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P18505_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P18507_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P28472_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P31644_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P34903_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P47869_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P47870_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P48169_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_P78334_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_Q16445_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTJXKMGCYZWWDX_on_Q99928_WT,Low,ChEMBL30,CHEMBL315810,CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1,QTJXKMGCYZWWDX,QTJXKMGCYZWWDX-UHFFFAOYSA-N,"InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,16,11,22,10,23,19,6,25,12,9,5,17,8,2,21,20,18,7,24/E:(1,2,3)(8,9)(10,11)(13,14)(24,25)/CRV:22.5/rA:25CCCCCCSCCCCCCCCCCOCN+N-CCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;d17;s17;d19;d20;s12;s9d22;s8;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QTLHQXUXMHHSTK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1199120,Oc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(O)c2)[nH]3)c1,QTLHQXUXMHHSTK,QTLHQXUXMHHSTK-UHFFFAOYSA-P,"InChI=1S/C27H24N4O2/c32-18-4-6-24-22(14-18)20-8-12-30(16-26(20)28-24)10-2-1-3-11-31-13-9-21-23-15-19(33)5-7-25(23)29-27(21)17-31/h4-9,12-17,32-33H,1-3,10-11H2/p+2","""AuxInfo=1/5/N:16,15,17,7,28,6,27,11,23,14,18,12,24,3,31,33,20,2,29,10,22,4,25,5,26,9,21,8,32,13,19,1,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33OCCCCCCNCCCCN+CCCCCN+CCCCCCCCCCOCNC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s22;d25;s26;d27;s28;s29;s25d29;s21s26;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QTLHQXUXMHHSTK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1199120,Oc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(O)c2)[nH]3)c1,QTLHQXUXMHHSTK,QTLHQXUXMHHSTK-UHFFFAOYSA-P,"InChI=1S/C27H24N4O2/c32-18-4-6-24-22(14-18)20-8-12-30(16-26(20)28-24)10-2-1-3-11-31-13-9-21-23-15-19(33)5-7-25(23)29-27(21)17-31/h4-9,12-17,32-33H,1-3,10-11H2/p+2","""AuxInfo=1/5/N:16,15,17,7,28,6,27,11,23,14,18,12,24,3,31,33,20,2,29,10,22,4,25,5,26,9,21,8,32,13,19,1,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33OCCCCCCNCCCCN+CCCCCN+CCCCCCCCCCOCNC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s22;d25;s26;d27;s28;s29;s25d29;s21s26;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-QTNIUOFRRIWJRD_on_Q14416_WT,High,ChEMBL30,CHEMBL593399,CCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12,QTNIUOFRRIWJRD,QTNIUOFRRIWJRD-UHFFFAOYSA-N,"InChI=1S/C20H23N7/c1-4-16-13-22-19-17(12-21)18(5-6-27(16)19)25-7-9-26(10-8-25)20-23-14(2)11-15(3)24-20/h5-6,11,13H,4,7-10H2,1-3H3","""AuxInfo=1/0/N:1,18,21,2,25,26,12,24,13,23,19,8,4,17,20,3,7,10,6,15,9,5,16,22,11,14,27/E:(2,3)(7,8)(9,10)(14,15)(23,24)/rA:27CCCCNCCCNCNCCNCNCCCCCNCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;t8;d7;s10;s11;s12;s13;s14;d15;s16;s17;d17;s19;s20;s15d20;s14;s11s23;s10;d25;s3s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-QTONKIXQNOYSPZ_on_P41594_WT,High,ChEMBL30,CHEMBL2153780,Cc1nc(C(=O)Nc2ccccn2)c2[nH]ccc2c1,QTONKIXQNOYSPZ,QTONKIXQNOYSPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N4O/c1-9-8-10-5-7-16-12(10)13(17-9)14(19)18-11-4-2-3-6-15-11/h2-8,16H,1H3,(H,15,18,19)","""AuxInfo=1/1/N:1,10,11,9,17,12,16,19,2,18,8,14,4,5,13,15,3,7,6/rA:19CCNCCONCCCCCNCNCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;d4;s14;s15;d16;s14s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-QTWUWSMYXSGDDN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2206443;69093439,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cccc1F,QTWUWSMYXSGDDN,QTWUWSMYXSGDDN-UHFFFAOYSA-N,"InChI=1S/C22H24ClFN4O/c1-29-21-16(3-2-4-17(21)24)15-7-10-27(11-8-15)18-9-12-28-19(13-14-5-6-14)25-26-22(28)20(18)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3","""AuxInfo=1/0/N:1,26,25,27,18,19,6,24,22,7,23,21,16,17,5,4,28,9,15,10,3,12,11,29,14,13,8,20,2/E:(5,6)(7,8)(10,11)/rA:29COCCCCCNCCClCNNCCCCCNCCCCCCCCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;d25;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923;PubChemAID:713857,PMID:22992024,2012.0,PMID:22992024;PubChemAID:713857,2012;2013,0,1;0,0,0,0;1,,=,  7.430;  7.432,7.431,0.001,0.001,2.0,7.431,0.001
-QTXZKHDIYJJYMU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921533,CN1C(=O)C(c2ccc(C#Cc3ccccc3)nn2)CC1(C)C,QTXZKHDIYJJYMU,QTXZKHDIYJJYMU-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)13-16(18(23)22(19)3)17-12-11-15(20-21-17)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,13H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,8,7,20,12,9,5,6,3,21,18,19,2,4/E:(1,2)(5,6)(7,8)/rA:23CNCOCCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-QTYHDQOTKBKPBQ_on_P18507_WT,Low,ChEMBL30,CHEMBL212158,Cn1ncnc1COc1nn2c(-c3cccc(F)c3)nncc2c1-c1ccccc1F,QTYHDQOTKBKPBQ,QTYHDQOTKBKPBQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-7-2-3-8-16(15)23)17-10-25-27-20(30(17)28-21)13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,15,14,16,26,29,19,22,7,4,13,17,25,30,23,6,24,12,9,18,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCFCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QTYHDQOTKBKPBQ_on_P28472_WT,Low,ChEMBL30,CHEMBL212158,Cn1ncnc1COc1nn2c(-c3cccc(F)c3)nncc2c1-c1ccccc1F,QTYHDQOTKBKPBQ,QTYHDQOTKBKPBQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-7-2-3-8-16(15)23)17-10-25-27-20(30(17)28-21)13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,15,14,16,26,29,19,22,7,4,13,17,25,30,23,6,24,12,9,18,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCFCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QTYHDQOTKBKPBQ_on_P34903_WT,Low,ChEMBL30,CHEMBL212158,Cn1ncnc1COc1nn2c(-c3cccc(F)c3)nncc2c1-c1ccccc1F,QTYHDQOTKBKPBQ,QTYHDQOTKBKPBQ-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-7-2-3-8-16(15)23)17-10-25-27-20(30(17)28-21)13-5-4-6-14(22)9-13/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,28,15,14,16,26,29,19,22,7,4,13,17,25,30,23,6,24,12,9,18,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCFCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QTYZHBVNSBXENQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3938987,CC1N(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C,QTYZHBVNSBXENQ,QTYZHBVNSBXENQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-14-19(2,3)23-18(22)21(14)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3","""AuxInfo=1/0/N:1,22,23,13,12,14,11,15,9,8,6,5,16,2,10,7,4,18,21,17,3,19,20/E:(2,3)(5,6)(7,8)/rA:23CCNCCCCCCCCCCCCCNCOOCCC/rB:s1;s2;s3;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;s3;d18;s18;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-QUBHUQVCFZIJRF_on_P14867_WT,Low,ChEMBL30,CHEMBL144718,Oc1noc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,QUBHUQVCFZIJRF,QUBHUQVCFZIJRF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNOCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169;CHEMBL1117063;CHEMBL866387;CHEMBL1117063,PMID:16480274,2006.0,PMID:17375905;PMID:20355712;PMID:16480274;PMID:20355712,2007;2010;2006;2010,0;1;0;1,0,0,1;0;1;0,0,,=,  6.430;  5.750;  6.430;  5.740,6.087999999999999,0.34299999999999997,0.198,4.0,6.09,0.34
-QUBHUQVCFZIJRF_on_P18507_WT,Low,ChEMBL30,CHEMBL144718,Oc1noc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,QUBHUQVCFZIJRF,QUBHUQVCFZIJRF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNOCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387;CHEMBL1117063;CHEMBL1117063;CHEMBL917169,PMID:16480274,2006.0,PMID:16480274;PMID:20355712;PMID:20355712;PMID:17375905,2006;2010;2010;2007,0;1;1;0,0,0,1;0;0;1,0,,=,  6.430;  5.750;  5.740;  6.430,6.087999999999999,0.34299999999999997,0.198,4.0,6.09,0.34
-QUBHUQVCFZIJRF_on_P28472_WT,Low,ChEMBL30,CHEMBL144718,Oc1noc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,QUBHUQVCFZIJRF,QUBHUQVCFZIJRF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNOCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387;CHEMBL917169,PMID:16480274,2006.0,PMID:16480274;PMID:17375905,2006;2007,0,0,0,1,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-QUBHUQVCFZIJRF_on_P47870_WT,Low,ChEMBL30,CHEMBL144718,Oc1noc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1,QUBHUQVCFZIJRF,QUBHUQVCFZIJRF-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)","""AuxInfo=1/1/N:19,20,18,21,23,22,7,11,8,10,15,13,14,17,6,16,12,5,2,9,3,1,4/E:(7,8)(9,10)/rA:23OCNOCCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.740;  5.750,5.745,0.005,0.005,2.0,5.745,0.005
-QUBUQCRKGCPSRB_on_P41594_WT,High,ChEMBL30,CHEMBL4094256;CHEMBL4066731,O=c1cc(OCc2cccc(Cl)c2)nc2COCC(Cc3ccccc3)n21,QUBUQCRKGCPSRB,QUBUQCRKGCPSRB-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2","""AuxInfo=1/0/N:24,23,25,9,22,26,8,10,13,20,3,6,18,16,21,7,11,19,15,4,2,12,14,27,1,17,5/E:(2,3)(5,6)/rA:27OCCCOCCCCCCClCNCCOCCCCCCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;d14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s2s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.520;  9.000,8.76,0.24,0.24,2.0,8.76,0.24
-QUDMUIFOLZBGAK_on_P41594_WT,High,ChEMBL30,CHEMBL3747735,O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1,QUDMUIFOLZBGAK,QUDMUIFOLZBGAK-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-10-11-23-18(19(22)24)12-15(21-23)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,6,22,5,19,8,3,2,23,14,18,15,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCOCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.190;  7.190,7.19,0.0,0.0,2.0,7.19,0.0
-QUDMUIFOLZBGAK_on_Q14832_WT,High,ChEMBL30,CHEMBL3747735,O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1,QUDMUIFOLZBGAK,QUDMUIFOLZBGAK-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-10-11-23-18(19(22)24)12-15(21-23)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,21,24,20,25,17,16,4,6,22,5,19,8,3,2,23,14,18,15,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCOCCCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-QUEHFHZVAWHGCG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3908108,Cc1cc(NC(=O)Nc2c3ncccc3n[nH]2)ccc1F,QUEHFHZVAWHGCG,QUEHFHZVAWHGCG-UHFFFAOYSA-N,"InChI=1S/C14H12FN5O/c1-8-7-9(4-5-10(8)15)17-14(21)18-13-12-11(19-20-13)3-2-6-16-12/h2-7H,1H3,(H3,17,18,19,20,21)","""AuxInfo=1/1/N:1,13,14,18,19,12,3,2,4,20,15,10,9,6,21,11,5,8,16,17,7/rA:21CCCCNCONCCNCCCCNNCCCF/rB:s1;d2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;d4;s18;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-QUGAOEHDZBIECQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800614,CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)sc2n1)c1ccc(F)cc1,QUGAOEHDZBIECQ,QUGAOEHDZBIECQ-UHFFFAOYSA-N,"InChI=1S/C18H19FN4O2S/c1-4-22(14-7-5-12(19)6-8-14)10-13-9-15(24)23-16(17(25)20-3)11(2)26-18(23)21-13/h5-9H,4,10H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,16,14,2,22,25,21,26,6,4,15,23,5,20,7,10,11,18,24,13,19,3,9,8,12,17/E:(5,6)(7,8)/rA:26CCNCCCCONCCONCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s11;s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-QUGAOEHDZBIECQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800614,CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)sc2n1)c1ccc(F)cc1,QUGAOEHDZBIECQ,QUGAOEHDZBIECQ-UHFFFAOYSA-N,"InChI=1S/C18H19FN4O2S/c1-4-22(14-7-5-12(19)6-8-14)10-13-9-15(24)23-16(17(25)20-3)11(2)26-18(23)21-13/h5-9H,4,10H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,16,14,2,22,25,21,26,6,4,15,23,5,20,7,10,11,18,24,13,19,3,9,8,12,17/E:(5,6)(7,8)/rA:26CCNCCCCONCCONCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;d11;s11;s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-QUHYSEXPVMHMFG_on_P41594_WT,Medium,ChEMBL30,CHEMBL414661,O=Cc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,QUHYSEXPVMHMFG,QUHYSEXPVMHMFG-UHFFFAOYSA-N,InChI=1S/C19H12FN5O/c20-15-9-14(17-6-2-1-5-13(17)12-26)10-16(11-15)25-23-19(22-24-25)18-7-3-4-8-21-18/h1-12H,"""AuxInfo=1/0/N:25,24,19,18,26,23,20,17,6,22,9,2,3,5,7,10,4,15,14,8,16,13,21,12,11,1/rA:26OCCCCCCFCCNNNCCNCCCCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s5d10;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-QUKSQHJJLBHGAO_on_Q14833_WT,High,ChEMBL30,CHEMBL1223085,O=C(Nc1ccc(S(=O)(=O)Nc2c(F)ccc(F)c2)cc1)c1ccccn1,QUKSQHJJLBHGAO,QUKSQHJJLBHGAO-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O3S/c19-12-4-9-15(20)17(11-12)23-27(25,26)14-7-5-13(6-8-14)22-18(24)16-3-1-2-10-21-16/h1-11,23H,(H,22,24)","""AuxInfo=1/1/N:24,25,23,16,5,21,6,20,15,26,19,17,4,7,13,22,12,2,18,14,27,3,11,1,9,10,8/E:(5,6)(7,8)(25,26)/CRV:27.6/rA:27OCNCCCCSOONCCFCCCFCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s17;s12d17;s7;s4d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-QUNXIQXRXOIXOR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71563078;CHEMBL2335295,Brc1cccc2c1ccc(C#Cc1ccccn1)n2,QUNXIQXRXOIXOR,QUNXIQXRXOIXOR-UHFFFAOYSA-N,"InChI=1S/C16H9BrN2/c17-15-5-3-6-16-14(15)10-9-13(19-16)8-7-12-4-1-2-11-18-12/h1-6,9-11H","""AuxInfo=1/0/N:15,16,4,14,3,5,12,11,9,8,17,13,10,7,2,6,1,18,19/rA:19BrCCCCCCCCCCCCCCCCNN/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:730587;CHEMBL2345731,PMID:23333207,2013.0,PubChemAID:730587;PMID:23333207,2013,0;1,0,0,0,1;0,,=,  6.125;  6.120,6.122999999999999,0.003,0.003,2.0,6.122999999999999,0.002
-QUODWOZQRXAWHV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL178328;11150516,CN(C)c1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1,QUODWOZQRXAWHV,QUODWOZQRXAWHV-UHFFFAOYSA-N,"InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-5-3-4-6-15-7/h3-6H,1-2H3,(H2,14,18)(H,15,16,20)","""AuxInfo=1/1/N:1,3,16,15,17,14,12,8,5,18,4,9,6,19,13,11,7,20,2,10/E:(1,2)/rA:20CNCCCClNCCONCNCCCCCNN/rB:s1;s2;s2;d4;s5;s5;d7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8;s18;s4d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  6.870;  6.873,6.872000000000001,0.002,0.002,2.0,6.872000000000001,0.002
-QUONZMNJPNZJQS_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257414,CC(C)(C)c1nn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)cc1CNC1CC1,QUONZMNJPNZJQS,QUONZMNJPNZJQS-UHFFFAOYSA-N,"InChI=1S/C22H31N5O2S/c1-22(2,3)19-13(10-24-14-8-9-14)11-27(26-19)12-17(28)25-21-18(20(23)29)15-6-4-5-7-16(15)30-21/h11,14,24H,4-10,12H2,1-3H3,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:1,3,4,21,20,22,19,29,30,26,24,8,25,28,17,18,9,13,5,14,12,2,15,27,11,6,7,10,16,23/E:(1,2,3)(8,9)/rA:30CCCCCNNCCONCCCNOCCCCCCSCCCNCCC/rB:s1;s2;s2;s2;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s7;s5d24;s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-QUUDJJDYMOHMGD_on_P41594_WT,Low,ChEMBL30,CHEMBL584066,CC(C)N(C)c1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,QUUDJJDYMOHMGD,QUUDJJDYMOHMGD-UHFFFAOYSA-N,"InChI=1S/C19H20FN5OS/c1-12(2)24(3)17-9-15(21-11-22-17)16-10-27-19(23-16)25(4)18(26)13-5-7-14(20)8-6-13/h5-12H,1-4H3","""AuxInfo=1/0/N:1,3,5,14,18,23,19,22,7,10,26,2,17,20,8,9,6,15,12,21,25,27,24,4,13,16,11/E:(1,2)(5,6)(7,8)/rA:27CCCNCCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;s2;s4;s4;d6;s7;s8;d9;s10;s11;s12;s13;s13;d15;s15;d17;s18;d19;s20;s20;s17d22;s9d12;d8;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1046438,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QUUDJJDYMOHMGD_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,45486778;CHEMBL584066,CC(C)N(C)c1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,QUUDJJDYMOHMGD,QUUDJJDYMOHMGD-UHFFFAOYSA-N,"InChI=1S/C19H20FN5OS/c1-12(2)24(3)17-9-15(21-11-22-17)16-10-27-19(23-16)25(4)18(26)13-5-7-14(20)8-6-13/h5-12H,1-4H3","""AuxInfo=1/0/N:1,3,5,16,20,25,21,24,27,12,8,2,19,22,10,11,6,17,14,23,9,7,26,4,15,18,13/E:(1,2)(5,6)(7,8)/rA:27CCCNCCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;s2;s4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d17;s17;d19;s20;d21;s22;s22;s19d24;s11d14;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:449312;CHEMBL1046437,PMID:19674894,2009.0,PubChemAID:449312;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  7.114;  7.110,7.112,0.002,0.002,2.0,7.112,0.002
-QUUNMICPMYIHFS_on_O00591_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_O14764_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_P14867_WT,Medium,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-QUUNMICPMYIHFS_on_P18505_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_P18507_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1997;2000;2000;2000;2000;2000,1;0;0;0;0;0,0,0,0;1;1;1;1;1,0,,=,  9.400;  7.770;  9.600;  9.920; 10.100; 10.300,9.515,0.835,0.374,6.0,9.76,0.35
-QUUNMICPMYIHFS_on_P28472_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL683045;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9435905,2000;2000;2000;2000;2000;1997,0;0;0;0;0;1,0,0,1;1;1;1;1;0,0,,=,  9.920; 10.100; 10.300;  9.600;  7.770;  9.400,9.515,0.835,0.374,6.0,9.76,0.35
-QUUNMICPMYIHFS_on_P31644_WT,Medium,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-QUUNMICPMYIHFS_on_P34903_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  9.400;  9.920,9.66,0.26,0.26,2.0,9.66,0.26
-QUUNMICPMYIHFS_on_P47869_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075;CHEMBL681248,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  9.400; 10.100,9.75,0.35,0.35,2.0,9.75,0.35
-QUUNMICPMYIHFS_on_P47870_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_P48169_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_P78334_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUUNMICPMYIHFS_on_Q16445_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:9435905,2000;1997,0;1,0,0,1;0,0,,=,  7.770;  9.400,8.585,0.815,0.815,2.0,8.585,0.815
-QUUNMICPMYIHFS_on_Q99928_WT,Low,ChEMBL30,CHEMBL19732,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1,QUUNMICPMYIHFS,QUUNMICPMYIHFS-UHFFFAOYSA-N,"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,13H","""AuxInfo=1/0/N:18,17,19,9,10,16,20,8,11,4,15,7,3,6,12,2,5,13,14,1/E:(2,3)(6,7)/rA:20OCCCNCCCCCCCNNCCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-QUZHRQSFJYFDCO_on_P14867_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-QUZHRQSFJYFDCO_on_P18507_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL678741;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.210;  6.080;  6.800;  6.850,6.485,0.344,0.198,4.0,6.505,0.32
-QUZHRQSFJYFDCO_on_P28472_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL681841;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800;  6.080;  6.210;  6.850,6.485,0.344,0.198,4.0,6.505,0.32
-QUZHRQSFJYFDCO_on_P31644_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-QUZHRQSFJYFDCO_on_P34903_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-QUZHRQSFJYFDCO_on_P47869_WT,Low,ChEMBL30,CHEMBL51911,CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,QUZHRQSFJYFDCO,QUZHRQSFJYFDCO-UHFFFAOYSA-N,"InChI=1S/C18H18N6O/c1-23(2)11-16-20-21-17-14-8-3-4-9-15(14)18(22-24(16)17)25-12-13-7-5-6-10-19-13/h3-10H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,13,12,22,21,23,14,11,20,4,17,18,9,10,5,8,15,19,6,7,24,2,25,16/E:(1,2)/rA:25CNCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-QVBUOPGWPXUAHT_on_O00591_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_O14764_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P14867_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P18505_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P18507_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P28472_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P31644_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P34903_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P47869_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P47870_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P48169_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_P78334_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_Q16445_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVBUOPGWPXUAHT_on_Q99928_WT,Low,ChEMBL30,CHEMBL133628,NCc1cc(O)ns1,QVBUOPGWPXUAHT,QVBUOPGWPXUAHT-UHFFFAOYSA-N,"InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONS/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-QVEJRAFUKUCOOJ_on_O15399_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_O60391_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVEJRAFUKUCOOJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL553334,COc1c(Br)cc2nc(O)c(O)nc2c1,QVEJRAFUKUCOOJ,QVEJRAFUKUCOOJ-UHFFFAOYSA-N,"InChI=1S/C9H7BrN2O3/c1-15-7-3-6-5(2-4(7)10)11-8(13)9(14)12-6/h2-3H,1H3,(H,11,13)(H,12,14)","""AuxInfo=1/1/N:1,6,15,4,7,14,3,9,11,5,8,13,10,12,2/rA:15COCCBrCCNCOCONCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-QVHVTNVJYFZGTK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484126,CC1CN(Cc2ccc(-c3c(F)cccc3)cc2)C(=O)O1,QVHVTNVJYFZGTK,QVHVTNVJYFZGTK-UHFFFAOYSA-N,"InChI=1S/C17H16FNO2/c1-12-10-19(17(20)21-12)11-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,7,18,8,17,3,5,2,6,9,10,11,19,12,4,20,21/E:(6,7)(8,9)/rA:21CCCNCCCCCCCFCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s11;d13;s14;s10d15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-QVIQGNJPFOVZBZ_on_O00591_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_O14764_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P14867_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P18505_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P18507_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P28472_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P31644_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P34903_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P47869_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P47870_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P48169_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_P78334_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVIQGNJPFOVZBZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL327215,O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1,QVIQGNJPFOVZBZ,QVIQGNJPFOVZBZ-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c19-14-16-10-6-2-1-3-8-12(10)18(14)15-17-11-7-4-5-9-13(11)20-15/h4-5,7,9-10,12H,1-3,6,8H2,(H,16,19)","""AuxInfo=1/1/N:7,6,8,18,17,5,19,9,16,4,14,10,15,2,12,3,13,11,1,20/rA:20OCNCCCCCCCNCNCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVKRJAGEEGDZOB_on_P14867_WT,Low,ChEMBL30,CHEMBL47295,Cc1csc(-c2cc(-c3cccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,QVKRJAGEEGDZOB,QVKRJAGEEGDZOB-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-14-13-28-21(24-14)17-11-16(19-6-4-9-25(19)2)20-18-12-23-8-7-15(18)5-3-10-26(20)22(17)27/h4,6-9,11-13H,3,5,10H2,1-2H3","""AuxInfo=1/0/N:1,14,23,11,22,10,18,19,12,24,7,21,3,2,17,8,6,16,9,15,5,26,20,28,13,25,27,4/rA:28CCCSCCCCCCCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-QVKRJAGEEGDZOB_on_P18507_WT,Low,ChEMBL30,CHEMBL47295,Cc1csc(-c2cc(-c3cccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,QVKRJAGEEGDZOB,QVKRJAGEEGDZOB-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-14-13-28-21(24-14)17-11-16(19-6-4-9-25(19)2)20-18-12-23-8-7-15(18)5-3-10-26(20)22(17)27/h4,6-9,11-13H,3,5,10H2,1-2H3","""AuxInfo=1/0/N:1,14,23,11,22,10,18,19,12,24,7,21,3,2,17,8,6,16,9,15,5,26,20,28,13,25,27,4/rA:28CCCSCCCCCCCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.520;  8.400,8.46,0.06,0.06,2.0,8.46,0.06
-QVKRJAGEEGDZOB_on_P28472_WT,Low,ChEMBL30,CHEMBL47295,Cc1csc(-c2cc(-c3cccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,QVKRJAGEEGDZOB,QVKRJAGEEGDZOB-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-14-13-28-21(24-14)17-11-16(19-6-4-9-25(19)2)20-18-12-23-8-7-15(18)5-3-10-26(20)22(17)27/h4,6-9,11-13H,3,5,10H2,1-2H3","""AuxInfo=1/0/N:1,14,23,11,22,10,18,19,12,24,7,21,3,2,17,8,6,16,9,15,5,26,20,28,13,25,27,4/rA:28CCCSCCCCCCCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.400;  8.520,8.46,0.06,0.06,2.0,8.46,0.06
-QVKRJAGEEGDZOB_on_P34903_WT,Low,ChEMBL30,CHEMBL47295,Cc1csc(-c2cc(-c3cccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,QVKRJAGEEGDZOB,QVKRJAGEEGDZOB-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-14-13-28-21(24-14)17-11-16(19-6-4-9-25(19)2)20-18-12-23-8-7-15(18)5-3-10-26(20)22(17)27/h4,6-9,11-13H,3,5,10H2,1-2H3","""AuxInfo=1/0/N:1,14,23,11,22,10,18,19,12,24,7,21,3,2,17,8,6,16,9,15,5,26,20,28,13,25,27,4/rA:28CCCSCCCCCCCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-QVMIPZSIWADRIE_on_P41594_WT,High,ChEMBL30,CHEMBL3702381,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Br)ccc3,QVMIPZSIWADRIE,QVMIPZSIWADRIE-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCBrCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-QVMIPZSIWADRIE_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702381,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Br)ccc3,QVMIPZSIWADRIE,QVMIPZSIWADRIE-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCBrCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-QVOYXYWXOMVGNY_on_P14867_WT,Low,ChEMBL30,CHEMBL114463,Oc1c2C=NC3CCOCC3c2nn1-c1ccc(OC(F)F)cc1,QVOYXYWXOMVGNY,QVOYXYWXOMVGNY-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,9,19/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCOCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.810,8.81,0.0,0.0,1.0,8.81,0.0
-QVOYXYWXOMVGNY_on_P18507_WT,Low,ChEMBL30,CHEMBL114463,Oc1c2C=NC3CCOCC3c2nn1-c1ccc(OC(F)F)cc1,QVOYXYWXOMVGNY,QVOYXYWXOMVGNY-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,9,19/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCOCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.810;  8.190,8.5,0.31,0.31,2.0,8.5,0.31
-QVOYXYWXOMVGNY_on_P28472_WT,Low,ChEMBL30,CHEMBL114463,Oc1c2C=NC3CCOCC3c2nn1-c1ccc(OC(F)F)cc1,QVOYXYWXOMVGNY,QVOYXYWXOMVGNY-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,9,19/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCOCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.810;  8.190,8.5,0.31,0.31,2.0,8.5,0.31
-QVOYXYWXOMVGNY_on_P34903_WT,Low,ChEMBL30,CHEMBL114463,Oc1c2C=NC3CCOCC3c2nn1-c1ccc(OC(F)F)cc1,QVOYXYWXOMVGNY,QVOYXYWXOMVGNY-UHFFFAOYSA-N,"InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,22H,5-6,8H2","""AuxInfo=1/0/N:16,24,17,23,7,8,4,10,15,18,3,11,6,12,2,20,21,22,5,13,14,1,9,19/E:(1,2)(3,4)(17,18)/rA:24OCCCNCCCOCCCNNCCCCOCFFCC/rB:s1;d2;s3;w?4;s5;s6;s7;s8;s9;s6s10;s3s11;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-QVPHXHVPULGUAX_on_P31644_WT,High,ChEMBL30,CHEMBL3681545,Cc1c(COc2ccc([S+](C)[O-])cn2)c(-c2ccccc2)no1,QVPHXHVPULGUAX,QVPHXHVPULGUAX-UHFFFAOYSA-N,"InChI=1S/C17H16N2O3S/c1-12-15(17(19-22-12)13-6-4-3-5-7-13)11-21-16-9-8-14(10-18-16)23(2)20/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,11,19,18,20,17,21,8,7,13,4,2,16,9,3,6,15,14,22,12,5,23,10/E:(4,5)(6,7)/rA:23CCCCOCCCCS+CO-CNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s16d20;d15;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-QVQSPLCDHMNQAV_on_P41594_WT,Low,ChEMBL30,CHEMBL260028,Clc1c(Cl)cc(-c2nc(-c3ncccc3)no2)cc1,QVQSPLCDHMNQAV,QVQSPLCDHMNQAV-UHFFFAOYSA-N,InChI=1S/C13H7Cl2N3O/c14-9-5-4-8(7-10(9)15)13-17-12(18-19-13)11-3-1-2-6-16-11/h1-7H,"""AuxInfo=1/0/N:14,13,15,18,19,12,5,6,2,3,10,9,7,1,4,11,8,16,17/rA:19ClCCClCCCNCCNCCCCNOCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s7s16;s6;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QVRTZYPZFIWCPD_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,45484911;CHEMBL584610,Cc1c(-c2ccc(C(=O)N3CCCC3)cc2)nnn1-c1cnccc1,QVRTZYPZFIWCPD,QVRTZYPZFIWCPD-UHFFFAOYSA-N,"InChI=1S/C19H19N5O/c1-14-18(21-22-24(14)17-5-4-10-20-13-17)15-6-8-16(9-7-15)19(25)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3","""AuxInfo=1/0/N:1,12,13,24,25,5,16,6,15,23,11,14,21,2,4,7,20,3,8,22,17,18,10,19,9/E:(2,3)(6,7)(8,9)(11,12)/rA:25CCCCCCCCONCCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s12;s10s13;s7;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:446923;CHEMBL1038283,PMID:19692242,2009.0,PubChemAID:446923;PMID:19692242,2010;2009,0;1,0,0,0,1;0,,=,  5.745;  5.750,5.747999999999999,0.002,0.002,2.0,5.747999999999999,0.002
-QVSHROHXNPJJOR_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684238,O=C1NCc2c1ccc(C#Cc1ccccc1F)c2,QVSHROHXNPJJOR,QVSHROHXNPJJOR-UHFFFAOYSA-N,"InChI=1S/C16H10FNO/c17-15-4-2-1-3-12(15)7-5-11-6-8-14-13(9-11)10-18-16(14)19/h1-4,6,8-9H,10H2,(H,18,19)","""AuxInfo=1/1/N:14,15,13,16,10,8,11,7,19,4,9,12,5,6,17,2,18,3,1/rA:19OCNCCCCCCCCCCCCCCFC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s17;s5d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-QVSJMOFAYTYCRT_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159879,N=C(NCc1cc(Cl)ccc1)c1ccc(F)cc1,QVSJMOFAYTYCRT,QVSJMOFAYTYCRT-UHFFFAOYSA-N,"InChI=1S/C14H12ClFN2/c15-12-3-1-2-10(8-12)9-18-14(17)11-4-6-13(16)7-5-11/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:10,11,9,13,18,14,17,6,4,5,12,7,15,2,8,16,1,3/E:(4,5)(6,7)/rA:18NCNCCCCClCCCCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  6.220;  6.350,6.285,0.065,0.065,2.0,6.285,0.065
-QVSKRNYPWMHGEV_on_Q05586_WT,Medium,ChEMBL30,CHEMBL162293,O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1,QVSKRNYPWMHGEV,QVSKRNYPWMHGEV-UHFFFAOYSA-N,"InChI=1S/C17H13Cl2N3O3/c18-9-6-12(19)14-11(15(16(23)24)22-13(14)7-9)8-20-17(25)21-10-4-2-1-3-5-10/h1-7,22H,8H2,(H,23,24)(H2,20,21,25)","""AuxInfo=1/1/N:23,22,24,21,25,15,12,4,13,20,5,16,11,18,6,7,2,14,17,3,19,10,8,9,1/E:(2,3)(4,5)(23,24)/rA:25OCNCCCCOONCCCClCCClCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s7;s6;s10;d11;s12;s13;d13;s15;s16;s5s11d16;s2;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-QVSQCWBRNQXWBE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3908110,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CC4)nc4ccccc43)cc2n1,QVSQCWBRNQXWBE,QVSQCWBRNQXWBE-UHFFFAOYSA-N,"InChI=1S/C27H21FN4O/c28-19-10-8-17(9-11-19)21-14-24(26(29)33)30-23-13-16(5-12-20(21)23)15-32-25-4-2-1-3-22(25)31-27(32)18-6-7-18/h1-5,8-14,18H,6-7,15H2,(H2,29,33)","""AuxInfo=1/1/N:27,28,26,29,16,22,23,8,13,9,12,15,31,5,18,17,7,21,10,14,6,25,32,4,30,2,20,11,1,33,24,19,3/E:(6,7)(8,9)(10,11)/rA:33NCOCCCCCCCFCCCCCCCNCCCCNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s21s22;d20;s24;d25;s26;d27;s28;s19s25d29;d17;s14s31;s4d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-QVSVPQKKGJCUQS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484972,CC1CN(Cc2ccc(-c3c(CN(C)C)cccc3)cc2)C(=O)O1,QVSVPQKKGJCUQS,QVSVPQKKGJCUQS-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-15-12-22(20(23)24-15)13-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-21(2)3/h4-11,15H,12-14H2,1-3H3","""AuxInfo=1/0/N:1,14,15,17,18,16,19,7,21,8,20,3,5,12,2,6,9,11,10,22,13,4,23,24/E:(2,3)(8,9)(10,11)/rA:24CCCNCCCCCCCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s13;s11;d16;s17;s10d18;s9;s6d20;s4;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-QVSXXDDEWUXYPT_on_O00591_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_O14764_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P14867_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P18505_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.340;  5.700,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P18507_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.340;  5.700,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P28472_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.340;  5.700,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P31644_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.340;  5.700,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P34903_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P47869_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P47870_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P48169_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_P78334_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_Q16445_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.340;  5.700,5.52,0.18,0.18,2.0,5.52,0.18
-QVSXXDDEWUXYPT_on_Q99928_WT,Low,ChEMBL30,CHEMBL57474,CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,QVSXXDDEWUXYPT,QVSXXDDEWUXYPT-UHFFFAOYSA-N,"InChI=1S/C16H17N3O2/c1-4-21-16(20)12-9(2)18-15-13(14(12)17)10-7-5-6-8-11(10)19(15)3/h5-8H,4H2,1-3H3,(H2,17,18)","""AuxInfo=1/1/N:1,8,21,2,18,17,19,16,7,14,15,6,11,12,10,4,13,9,20,5,3/rA:21CCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;s6d11;s12;s11;d14;s15;d16;s17;s14d18;s10s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.340,5.52,0.18,0.18,2.0,5.52,0.18
-QVUADLCPMUWKHH_on_O00222_WT,Low,ChEMBL30,CHEMBL1349403,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(OC)cccc2)CC1,QVUADLCPMUWKHH,QVUADLCPMUWKHH-UHFFFAOYSA-N,"InChI=1S/C24H27N3O4/c1-4-31-24(28)18-16-25-22-17(8-7-11-21(22)30-3)23(18)27-14-12-26(13-15-27)19-9-5-6-10-20(19)29-2/h5-11,16H,4,12-15H2,1-3H3","""AuxInfo=1/0/N:1,25,12,2,28,27,14,15,29,26,13,20,30,19,31,7,16,6,22,23,10,9,17,4,8,21,18,5,24,11,3/E:(12,13)(14,15)/rA:31CCOCOCCNCCOCCCCCCNCCNCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s24;s23;d26;s27;s22d28;s21;s18s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4701721,PMID:32890686,2020.0,PMID:32890686,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QVUADLCPMUWKHH_on_Q14833_WT,Low,ChEMBL30,CHEMBL1349403,CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(OC)cccc2)CC1,QVUADLCPMUWKHH,QVUADLCPMUWKHH-UHFFFAOYSA-N,"InChI=1S/C24H27N3O4/c1-4-31-24(28)18-16-25-22-17(8-7-11-21(22)30-3)23(18)27-14-12-26(13-15-27)19-9-5-6-10-20(19)29-2/h5-11,16H,4,12-15H2,1-3H3","""AuxInfo=1/0/N:1,25,12,2,28,27,14,15,29,26,13,20,30,19,31,7,16,6,22,23,10,9,17,4,8,21,18,5,24,11,3/E:(12,13)(14,15)/rA:31CCOCOCCNCCOCCCCCCNCCNCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d10;s13;d14;s9s15;s6d16;s17;s18;s19;s20;s21;d22;s23;s24;s23;d26;s27;s22d28;s21;s18s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4701720,PMID:32890686,2020.0,PMID:32890686,2020,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-QVWBQWHSWPMCNY_on_Q14416_WT,High,ChEMBL30,CHEMBL3885396,Clc1c(OCc2cccc(-c3ccccc3)c2)ccn2c(CC3CC3)nnc12,QVWBQWHSWPMCNY,QVWBQWHSWPMCNY-UHFFFAOYSA-N,"InChI=1S/C23H20ClN3O/c24-22-20(11-12-27-21(14-16-9-10-16)25-26-23(22)27)28-15-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-8,11-13,16H,9-10,14-15H2","""AuxInfo=1/0/N:14,13,15,8,7,12,16,9,24,25,18,19,17,22,5,23,6,11,10,3,21,2,28,1,26,27,20,4/E:(2,3)(6,7)(9,10)/rA:28ClCCOCCCCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s6d10;s3;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s2s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-QVXDBDKPSMNGHQ_on_P41594_WT,High,ChEMBL30,CHEMBL212834,Cc1cccc(C#CCC(C)c2ccccc2)n1,QVXDBDKPSMNGHQ,QVXDBDKPSMNGHQ-UHFFFAOYSA-N,"InChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3","""AuxInfo=1/0/N:11,1,15,14,16,8,4,9,3,13,17,7,5,10,2,12,6,18/E:(4,5)(10,11)/rA:18CCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s10;s10;d12;s13;d14;s15;s12d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-QVXRVZDGANBLSG_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830703,Cc1cc(Nc2nc3c(CCc4c-3cn[nH]4)s2)ncc1,QVXRVZDGANBLSG,QVXRVZDGANBLSG-UHFFFAOYSA-N,"InChI=1S/C14H13N5S/c1-8-4-5-15-12(6-8)17-14-18-13-9-7-16-19-10(9)2-3-11(13)20-14/h4-7H,2-3H2,1H3,(H,16,19)(H,15,17,18)","""AuxInfo=1/1/N:1,11,10,20,19,3,14,2,13,12,9,4,8,6,18,15,5,7,16,17/rA:20CCCCNCNCCCCCCCNNSNCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s8d12;s13;d14;s12s15;s6s9;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QVXTVJQFJBIDKS_on_O15399_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_O60391_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVXTVJQFJBIDKS_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180192,CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N,QVXTVJQFJBIDKS,QVXTVJQFJBIDKS-UHFFFAOYSA-N,"InChI=1S/C15H27N7/c1-3-8-21(14(16)17)10-12-6-5-7-13(20-12)11-22(9-4-2)15(18)19/h5-7H,3-4,8-11H2,1-2H3,(H3,16,17)(H3,18,19)","""AuxInfo=1/1/N:1,13,2,12,18,19,17,3,11,5,9,6,8,20,14,21,22,15,16,7,4,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17,18,19)(21,22)/gE:(1,2)/rA:22CCCNCCNCCNCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s6d18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.020;  5.060,4.54,0.52,0.52,2.0,4.54,0.52
-QVYRGXJJSLMXQH_on_O15399_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_O60391_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_Q05586_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_Q12879_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_Q13224_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QVYRGXJJSLMXQH_on_Q14957_WT,Low,ChEMBL30,CHEMBL900,Cc1c(C(OCCN(C)C)c2ccccc2)cccc1,QVYRGXJJSLMXQH,QVYRGXJJSLMXQH-UHFFFAOYSA-N,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,9,10,14,13,15,19,18,20,12,16,17,7,6,2,11,3,4,8,5/E:(2,3)(5,6)(10,11)/rA:20CCCCOCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s8;s4;d11;s12;d13;s14;s11d15;s3;d17;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-QWAJTMZOUBZYBE_on_P18507_WT,Low,ChEMBL30,CHEMBL371647,COc1cc(-c2cc(Br)ccc2)cnn1,QWAJTMZOUBZYBE,QWAJTMZOUBZYBE-UHFFFAOYSA-N,"InChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3","""AuxInfo=1/0/N:1,11,12,10,7,4,13,6,5,8,3,9,14,15,2/rA:15COCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.690;  7.270,6.98,0.29,0.29,2.0,6.98,0.29
-QWAJTMZOUBZYBE_on_P28472_WT,Low,ChEMBL30,CHEMBL371647,COc1cc(-c2cc(Br)ccc2)cnn1,QWAJTMZOUBZYBE,QWAJTMZOUBZYBE-UHFFFAOYSA-N,"InChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3","""AuxInfo=1/0/N:1,11,12,10,7,4,13,6,5,8,3,9,14,15,2/rA:15COCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.690;  7.270,6.98,0.29,0.29,2.0,6.98,0.29
-QWAJTMZOUBZYBE_on_P31644_WT,Low,ChEMBL30,CHEMBL371647,COc1cc(-c2cc(Br)ccc2)cnn1,QWAJTMZOUBZYBE,QWAJTMZOUBZYBE-UHFFFAOYSA-N,"InChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3","""AuxInfo=1/0/N:1,11,12,10,7,4,13,6,5,8,3,9,14,15,2/rA:15COCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-QWAJTMZOUBZYBE_on_P34903_WT,Low,ChEMBL30,CHEMBL371647,COc1cc(-c2cc(Br)ccc2)cnn1,QWAJTMZOUBZYBE,QWAJTMZOUBZYBE-UHFFFAOYSA-N,"InChI=1S/C11H9BrN2O/c1-15-11-6-9(7-13-14-11)8-3-2-4-10(12)5-8/h2-7H,1H3","""AuxInfo=1/0/N:1,11,12,10,7,4,13,6,5,8,3,9,14,15,2/rA:15COCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-QWBQPMFOVCKZJK_on_P41594_WT,Low,ChEMBL30,CHEMBL246610,Cc1nc2c(cnn2CC2CCCCC2)c(=O)n1-c1ccc(Cl)cc1,QWBQPMFOVCKZJK,QWBQPMFOVCKZJK-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c1-13-22-18-17(11-21-23(18)12-14-5-3-2-4-6-14)19(25)24(13)16-9-7-15(20)8-10-16/h7-11,14H,2-6,12H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,21,24,20,25,6,9,2,10,22,19,5,4,16,23,7,3,8,18,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25CCNCCCNNCCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;s13;s10s14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QWBQPMFOVCKZJK_on_Q13255_WT,Low,ChEMBL30,CHEMBL246610,Cc1nc2c(cnn2CC2CCCCC2)c(=O)n1-c1ccc(Cl)cc1,QWBQPMFOVCKZJK,QWBQPMFOVCKZJK-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4O/c1-13-22-18-17(11-21-23(18)12-14-5-3-2-4-6-14)19(25)24(13)16-9-7-15(20)8-10-16/h7-11,14H,2-6,12H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,15,21,24,20,25,6,9,2,10,22,19,5,4,16,23,7,3,8,18,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25CCNCCCNNCCCCCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;s13;s10s14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-QWCZFPBQYXMDHH_on_Q14416_WT,High,ChEMBL30,CHEMBL3221839,CCCn1ccc2c(cccc2NCc2ccccc2)c1=O,QWCZFPBQYXMDHH,QWCZFPBQYXMDHH-UHFFFAOYSA-N,"InChI=1S/C19H20N2O/c1-2-12-21-13-11-16-17(19(21)22)9-6-10-18(16)20-14-15-7-4-3-5-8-15/h3-11,13,20H,2,12,14H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,10,16,20,9,11,6,3,5,14,15,7,8,12,21,13,4,22/E:(4,5)(7,8)/rA:22CCCNCCCCCCCCNCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-QWDZZXBTYVQINQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3422869,CC(C)c1n[nH]c(C(=O)N2CCc3c(C2)sc(NC(=O)c2ccc(Cl)cc2)c3C#N)c1,QWDZZXBTYVQINQ,QWDZZXBTYVQINQ-UHFFFAOYSA-N,"InChI=1S/C22H20ClN5O2S/c1-12(2)17-9-18(27-26-17)22(30)28-8-7-15-16(10-24)21(31-19(15)11-28)25-20(29)13-3-5-14(23)6-4-13/h3-6,9,12H,7-8,11H2,1-2H3,(H,25,29)(H,26,27)","""AuxInfo=1/1/N:1,3,22,27,23,26,12,11,31,29,15,2,21,24,13,28,4,7,14,19,17,8,25,30,18,5,6,10,20,9,16/E:(1,2)(3,4)(5,6)/rA:31CCCCNNCCONCCCCCSCNCOCCCCClCCCCNC/rB:s1;s2;s2;d4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;d19;s19;d21;s22;d23;s24;s24;s21d26;s13d17;s28;t29;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  4.910,4.91,0.0,0.0,1.0,4.91,0.0
-QWELFTVINIAHGA_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL177736;11439265,CCc1cc2c(ccc(C(=NN)C3CCC(OC)CC3)c2)nc1OC,QWELFTVINIAHGA,QWELFTVINIAHGA-UHFFFAOYSA-N,"InChI=1S/C20H27N3O2/c1-4-13-11-16-12-15(7-10-18(16)22-20(13)25-3)19(23-21)14-5-8-17(24-2)9-6-14/h7,10-12,14,17H,4-6,8-9,21H2,1-3H3","""AuxInfo=1/0/N:1,18,25,2,14,20,8,15,19,7,4,21,3,13,9,5,16,6,10,23,12,22,11,17,24/E:(5,6)(8,9)/rA:25CCCCCCCCCCNNCCCCOCCCCNCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;w?10;s11;s10;s13;s14;s15;s16;s17;s16;s13s19;s5d9;s6;s3d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  5.360;  5.361,5.361000000000001,0.0,0.0,2.0,5.361000000000001,0.0
-QWERJDMEHCRBGB_on_P41594_WT,High,ChEMBL30,CHEMBL426467,C(#Cc1ncccc1)C1=CC(Oc2cnccc2)CCC1,QWERJDMEHCRBGB,QWERJDMEHCRBGB-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17H,3,5,7H2","""AuxInfo=1/0/N:7,6,20,17,21,8,19,18,1,2,16,5,10,14,9,3,11,13,15,4,12/rA:21CCCNCCCCCCCOCCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-QWEWDXWTGWPOGC_on_Q05586_WT,High,ChEMBL30,CHEMBL248442,CCOCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,QWEWDXWTGWPOGC,QWEWDXWTGWPOGC-UHFFFAOYSA-N,"InChI=1S/C13H15Cl2N3O5S/c1-3-23-5-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)","""AuxInfo=1/1/N:1,22,2,5,4,16,17,15,19,8,7,12,10,18,20,14,9,6,13,11,23,24,3,21/E:(21,22)/CRV:24.6/rA:24CCOCCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;s7d17;s19;s6;s21;d21;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-QWFYXUVFCJKYON_on_Q14416_WT,High,ChEMBL30,CHEMBL1629863,O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2c(cc(Cl)cc2)N1,QWFYXUVFCJKYON,QWFYXUVFCJKYON-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O/c21-16-4-5-17-19(11-16)24-20(25)12-18(23-17)15-3-1-2-14(10-15)13-6-8-22-9-7-13/h1-11H,12H2,(H,24,25)","""AuxInfo=1/1/N:7,8,6,23,24,11,15,12,14,16,20,3,10,9,5,21,18,4,19,2,22,13,17,25,1/E:(6,7)(8,9)/rA:25OCCCCCCCCCCCNCCCNCCCCClCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s5d9;w?4;s17;d18;s19;d20;s21;s21;s18d23;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1639554,PMID:20971004,2010.0,PMID:20971004,2010,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-QWIODYKZVMUKJC_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681891,Clc1ccc(-n2nc3c4c(CCOC4)ncc3c2OCc2ccccc2Cl)cc1,QWIODYKZVMUKJC,QWIODYKZVMUKJC-UHFFFAOYSA-N,"InChI=1S/C22H17Cl2N3O2/c23-15-5-7-16(8-6-15)27-22(29-12-14-3-1-2-4-19(14)24)17-11-25-20-9-10-28-13-18(20)21(17)26-27/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:23,24,22,25,3,29,4,28,11,12,16,20,14,21,2,5,17,9,26,10,8,18,1,27,15,7,6,13,19/E:(5,6)(7,8)/rA:29ClCCCCNNCCCCCOCNCCCOCCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-QWIVGAUUAQPHOA_on_Q14416_WT,Low,ChEMBL30,CHEMBL485190,CC1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1,QWIVGAUUAQPHOA,QWIVGAUUAQPHOA-UHFFFAOYSA-N,"InChI=1S/C19H28N2O2/c1-15-12-21(19(22)23-15)14-17-10-8-16(9-11-17)13-20(2)18-6-4-3-5-7-18/h8-11,15,18H,3-7,12-14H2,1-2H3","""AuxInfo=1/0/N:1,12,16,15,17,14,18,8,19,7,20,3,10,5,2,9,6,13,21,11,4,22,23/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCCNCCCCCCNCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s11;s13;s14;s15;s16;s13s17;s9;s6d19;s4;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QWJZAXKOFFQJEB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3968177,COc1ccc(-n2c(C)nc3c(scc3-c3ccccc3)c2=O)cc1,QWJZAXKOFFQJEB,QWJZAXKOFFQJEB-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2S/c1-13-21-18-17(14-6-4-3-5-7-14)12-25-19(18)20(23)22(13)15-8-10-16(24-2)11-9-15/h3-12H,1-2H3","""AuxInfo=1/0/N:9,1,19,18,20,17,21,5,24,4,25,14,8,16,6,3,15,11,12,22,10,7,23,2,13/E:(4,5)(6,7)(8,9)(10,11)/rA:25COCCCCNCCNCCSCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;s10;d11;s12;s13;s11d14;s15;d16;s17;d18;s19;s16d20;s7s12;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  6.250,6.25,0.0,0.0,1.0,6.25,0.0
-QWLFIPIEXGHULZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44389282;CHEMBL178530,CN(C)c1nc(N)c(C(=O)Nc2ccccn2)nc1,QWLFIPIEXGHULZ,QWLFIPIEXGHULZ-UHFFFAOYSA-N,"InChI=1S/C12H14N6O/c1-18(2)9-7-15-10(11(13)17-9)12(19)16-8-5-3-4-6-14-8/h3-7H,1-2H3,(H2,13,17)(H,14,16,19)","""AuxInfo=1/1/N:1,3,14,15,13,16,19,12,4,8,6,9,7,17,18,11,5,2,10/E:(1,2)/rA:19CNCCNCNCCONCCCCCNNC/rB:s1;s2;s2;d4;s5;s6;d6;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242780;CHEMBL828680,PMID:15686941,2005.0,PubChemAID:242780;PMID:15686941,2010;2005,0;1,0,0,0,1;0,,=,  5.294;  5.290,5.292000000000001,0.002,0.002,2.0,5.292000000000001,0.002
-QWLJKVDIAITQQX_on_P41594_WT,High,ChEMBL30,CHEMBL1682803,CN(C)c1nnc(C#Cc2ccccc2)cc1,QWLJKVDIAITQQX,QWLJKVDIAITQQX-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c1-17(2)14-11-10-13(15-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,11,15,9,8,16,17,10,7,4,6,5,2/E:(1,2)(4,5)(6,7)/rA:17CNCCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.400;  6.400,6.4,0.0,0.0,2.0,6.4,0.0
-QWNIEEVMYAZTBJ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078209,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(O)cc4)-c3n2)c1,QWNIEEVMYAZTBJ,QWNIEEVMYAZTBJ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O2/c1-10-5-13(26-22-10)7-17-20-18-14-6-12(25)3-4-15(14)23-9-19-11(2)16(23)8-24(18)21-17/h3-6,9,25H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,14,25,8,3,16,9,21,4/rA:26CCNOCCCNNCCCCNCNCCCCOCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QWNIEEVMYAZTBJ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078209,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(O)cc4)-c3n2)c1,QWNIEEVMYAZTBJ,QWNIEEVMYAZTBJ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O2/c1-10-5-13(26-22-10)7-17-20-18-14-6-12(25)3-4-15(14)23-9-19-11(2)16(23)8-24(18)21-17/h3-6,9,25H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,14,25,8,3,16,9,21,4/rA:26CCNOCCCNNCCCCNCNCCCCOCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QWNIEEVMYAZTBJ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078209,Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(O)cc4)-c3n2)c1,QWNIEEVMYAZTBJ,QWNIEEVMYAZTBJ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O2/c1-10-5-13(26-22-10)7-17-20-18-14-6-12(25)3-4-15(14)23-9-19-11(2)16(23)8-24(18)21-17/h3-6,9,25H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,13,22,23,26,19,6,10,15,2,12,20,5,18,17,11,7,24,14,25,8,3,16,9,21,4/rA:26CCNOCCCNNCCCCNCNCCCCOCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;s12;d14;s11s15;s16;d17;s18;d19;s20;s20;s17d22;s9s18;s7d24;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-QWOVZBZISYLEBC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3891468,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cccc(C(F)(F)F)n2)c3)cn1,QWOVZBZISYLEBC,QWOVZBZISYLEBC-UHFFFAOYSA-N,"InChI=1S/C21H16F3N5O/c1-29-11-13(10-26-29)16-9-18(20(25)30)28-17-8-12(5-6-15(16)17)7-14-3-2-4-19(27-14)21(22,23)24/h2-6,8-11H,7H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,20,19,21,15,14,17,28,6,29,3,16,4,18,13,5,12,7,22,8,23,24,25,26,9,30,27,11,2,10/E:(22,23,24)/rA:30CNCCCCCCNONCCCCCCCCCCCCFFFNCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s23;s23;s23;s18d22;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-QWPXZEAFNZGUKP_on_P41594_WT,Low,ChEMBL30,CHEMBL1783867,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,QWPXZEAFNZGUKP,QWPXZEAFNZGUKP-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,22,9,5,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCCSCCNCNCCCCClCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-QWPXZEAFNZGUKP_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1783867;54585404,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,QWPXZEAFNZGUKP,QWPXZEAFNZGUKP-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,22,9,5,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCCSCCNCNCCCCClCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.970;  7.975,7.973,0.002,0.002,2.0,7.973,0.002
-QWWZARYPNGYPLG_on_P18507_WT,Low,ChEMBL30,CHEMBL1783257,COc1cc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)cc1,QWWZARYPNGYPLG,QWWZARYPNGYPLG-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c1-27-13-9-10-17(28-2)16(11-13)14-7-4-8-15-18(22)20(25-24-19(14)15)21(26)23-12-5-3-6-12/h4,7-12H,3,5-6H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,26,19,8,18,20,7,9,28,27,4,17,3,6,10,5,24,11,23,13,14,12,16,22,21,15,2,25/E:(5,6)/rA:28COCCCCCCCCCNCCONCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s17s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-QWWZARYPNGYPLG_on_P28472_WT,Low,ChEMBL30,CHEMBL1783257,COc1cc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)cc1,QWWZARYPNGYPLG,QWWZARYPNGYPLG-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c1-27-13-9-10-17(28-2)16(11-13)14-7-4-8-15-18(22)20(25-24-19(14)15)21(26)23-12-5-3-6-12/h4,7-12H,3,5-6H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,26,19,8,18,20,7,9,28,27,4,17,3,6,10,5,24,11,23,13,14,12,16,22,21,15,2,25/E:(5,6)/rA:28COCCCCCCCCCNCCONCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s17s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-QWWZARYPNGYPLG_on_P47869_WT,High,ChEMBL30,CHEMBL1783257,COc1cc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)cc1,QWWZARYPNGYPLG,QWWZARYPNGYPLG-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c1-27-13-9-10-17(28-2)16(11-13)14-7-4-8-15-18(22)20(25-24-19(14)15)21(26)23-12-5-3-6-12/h4,7-12H,3,5-6H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,26,19,8,18,20,7,9,28,27,4,17,3,6,10,5,24,11,23,13,14,12,16,22,21,15,2,25/E:(5,6)/rA:28COCCCCCCCCCNCCONCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s17s19;d13;s21;s6s10d22;d5;s24;s25;s24;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-QWYGBQLZCIUSCA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3895854,Cc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)o1,QWYGBQLZCIUSCA,QWYGBQLZCIUSCA-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O3/c1-11-25-8-17(30-11)14-7-16(19(24)28)26-15-6-12(2-3-13(14)15)9-27-4-5-29-18(10-27)20(21,22)23/h2-3,6-8,18H,4-5,9-10H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,16,15,20,21,29,7,4,18,28,2,17,14,6,13,8,5,23,9,24,25,26,27,10,3,12,19,11,22,30/E:(21,22,23)/rA:30CCNCCCCCCNONCCCCCCNCCOCCFFFCCO/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;s13d17;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-QWZXDIZCVDEPIR_on_P41594_WT,High,ChEMBL30,CHEMBL258262,CNC(=O)c1cn2cc(C)nc(C#Cc3ccccc3F)c2c1,QWZXDIZCVDEPIR,QWZXDIZCVDEPIR-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O/c1-12-10-22-11-14(18(23)20-2)9-17(22)16(21-12)8-7-13-5-3-4-6-15(13)19/h3-6,9-11H,1-2H3,(H,20,23)","""AuxInfo=1/1/N:10,1,17,18,16,19,14,13,23,8,6,9,15,5,20,12,22,3,21,2,11,7,4/rA:23CNCOCCNCCCNCCCCCCCCCFCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s9;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s20;s7s12;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-QXBULACCZLWSRJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3953870,CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cn2)CCC1(C)C,QXBULACCZLWSRJ,QXBULACCZLWSRJ-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O/c1-20(2)10-9-17(19(25)24(20)3)18-22-12-15(13-23-18)8-7-14-5-4-6-16(21)11-14/h4-6,11-13,17H,9-10H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,21,22,18,8,19,12,9,16,5,6,3,23,17,7,20,2,4/E:(1,2)(12,13)(22,23)/rA:25CNCOCCNCCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-QXDACVHUAQTTKS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11321863;CHEMBL194743,CCOc1cccnc1Nc1ccccn1,QXDACVHUAQTTKS,QXDACVHUAQTTKS-UHFFFAOYSA-N,"InChI=1S/C12H13N3O/c1-2-16-10-6-5-9-14-12(10)15-11-7-3-4-8-13-11/h3-9H,2H2,1H3,(H,13,14,15)","""AuxInfo=1/1/N:1,2,13,14,6,5,12,15,7,4,11,9,16,8,10,3/rA:16CCOCCCCNCNCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-QXFROUDXBXBPRY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108785,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)ccn1,QXFROUDXBXBPRY,QXFROUDXBXBPRY-UHFFFAOYSA-N,"InChI=1S/C22H19F3N4O2/c1-13-9-15(5-7-27-13)20-18-6-8-30-14(2)12-29(18)21(28-20)16-3-4-19(17(10-16)11-26)31-22(23,24)25/h3-5,7,9-10,14H,6,8,12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,29,7,30,8,3,27,25,12,2,10,4,15,24,6,18,5,14,20,21,22,23,26,31,28,13,9,19/E:(23,24,25)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCCNCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;t25;s15d24;s5d14;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-QXKXXNSMWCHTGY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL105193,CCC(C)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,QXKXXNSMWCHTGY,QXKXXNSMWCHTGY-UHFFFAOYSA-N,"InChI=1S/C19H23F3N2O3S/c1-3-15(2)13-27-18-8-4-7-17(10-18)24(12-16-6-5-9-23-11-16)28(25,26)14-19(20,21)22/h4-11,15H,3,12-14H2,1-2H3","""AuxInfo=1/0/N:1,4,2,9,18,19,10,8,17,28,15,13,5,23,3,14,11,7,24,25,26,27,16,12,21,22,6,20/E:(20,21,22)(25,26)/CRV:28.6/rA:28CCCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;d20;d20;s20;s23;s24;s24;s24;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-QXPVYCRNOMZLCA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3942377,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1,QXPVYCRNOMZLCA,QXPVYCRNOMZLCA-UHFFFAOYSA-N,"InChI=1S/C23H24ClN3O2/c1-14-11-17(12-15(2)25-14)22-20-7-9-28-10-8-27(20)23(26-22)16-3-6-21(19(24)13-16)29-18-4-5-18/h3,6,11-13,18H,4-5,7-10H2,1-2H3","""AuxInfo=1/0/N:1,28,15,20,21,16,7,11,8,10,3,26,24,2,27,14,4,19,22,6,17,5,13,23,29,25,12,9,18/E:(1,2)(4,5)(11,12)(14,15)/rA:29CCCCCCCCOCCNCCCCCOCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19s20;s17;s22;s14d22;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-QXRWVCAOQFLDKQ_on_P41594_WT,High,ChEMBL30,CHEMBL4104387,O=c1cc(OCc2cccc(Cl)c2)nc2COCCn21,QXRWVCAOQFLDKQ,QXRWVCAOQFLDKQ-UHFFFAOYSA-N,"InChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(6-11)8-20-13-7-14(18)17-4-5-19-9-12(17)16-13/h1-3,6-7H,4-5,8-9H2","""AuxInfo=1/0/N:9,8,10,19,18,13,3,6,16,7,11,15,4,2,12,14,20,1,17,5/rA:20OCCCOCCCCCCClCNCCOCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;d14;s15;s16;s17;s18;s2s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-QXTBXXRRCCBCKS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111376,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CCOCC4)c3)n2)cc(C)n1,QXTBXXRRCCBCKS,QXTBXXRRCCBCKS-UHFFFAOYSA-N,"InChI=1S/C28H35N3O3/c1-18-5-6-23(15-26(18)34-17-22-7-10-32-11-8-22)28-30-27(24-13-19(2)29-20(3)14-24)25-9-12-33-21(4)16-31(25)28/h5-6,13-15,21-22H,7-12,16-17H2,1-4H3","""AuxInfo=1/0/N:19,1,33,11,17,16,24,28,7,25,27,8,3,31,29,12,22,18,2,32,10,23,15,4,6,20,5,14,34,30,13,26,9,21/E:(2,3)(7,8)(10,11)(13,14)(19,20)/rA:34CCCCCCCCOCCCNCCCCCCCOCCCCOCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s24;s25;s26;s23s27;s15d20;s5d14;d4;s31;s32;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-QXVMZECHAZYIMZ_on_Q14416_WT,High,ChEMBL30,CHEMBL3927108,Cc1c(F)ccc(COC2C(O)C3C(C(=O)O)C3C2(N)C(=O)O)c1,QXVMZECHAZYIMZ,QXVMZECHAZYIMZ-UHFFFAOYSA-N,"InChI=1S/C16H18FNO6/c1-6-4-7(2-3-8(6)17)5-24-13-12(19)9-10(14(20)21)11(9)16(13,18)15(22)23/h2-4,9-13,19H,5,18H2,1H3,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,6,5,24,8,2,7,3,13,14,18,11,10,15,21,19,4,20,12,16,17,22,23,9/E:(20,21)(22,23)/rA:24CCCFCCCCOCCOCCCOOCCNCOOC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;s10;s11;s11;s13;s14;d15;s15;s13s14;s10s18;s19;s19;d21;s21;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-QXVMZECHAZYIMZ_on_Q14832_WT,High,ChEMBL30,CHEMBL3927108,Cc1c(F)ccc(COC2C(O)C3C(C(=O)O)C3C2(N)C(=O)O)c1,QXVMZECHAZYIMZ,QXVMZECHAZYIMZ-UHFFFAOYSA-N,"InChI=1S/C16H18FNO6/c1-6-4-7(2-3-8(6)17)5-24-13-12(19)9-10(14(20)21)11(9)16(13,18)15(22)23/h2-4,9-13,19H,5,18H2,1H3,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,6,5,24,8,2,7,3,13,14,18,11,10,15,21,19,4,20,12,16,17,22,23,9/E:(20,21)(22,23)/rA:24CCCFCCCCOCCOCCCOOCCNCOOC/rB:s1;d2;s3;s3;d5;s6;s7;s8;s9;s10;s11;s11;s13;s14;d15;s15;s13s14;s10s18;s19;s19;d21;s21;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-QXVTTYRBOJXPRC_on_Q05586_WT,Low,ChEMBL30,CHEMBL67196,COc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,QXVTTYRBOJXPRC,QXVTTYRBOJXPRC-UHFFFAOYSA-N,"InChI=1S/C21H18N2O2/c1-24-18-11-12-19-20(14-18)23-21(22-19)13-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,20,19,21,18,22,13,24,14,23,8,7,11,4,12,17,15,3,6,5,10,9,25,2,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25COCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  5.080;  5.040,5.06,0.02,0.02,2.0,5.06,0.02
-QXVTTYRBOJXPRC_on_Q13224_WT,Low,ChEMBL30,CHEMBL67196,COc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,QXVTTYRBOJXPRC,QXVTTYRBOJXPRC-UHFFFAOYSA-N,"InChI=1S/C21H18N2O2/c1-24-18-11-12-19-20(14-18)23-21(22-19)13-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,20,19,21,18,22,13,24,14,23,8,7,11,4,12,17,15,3,6,5,10,9,25,2,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25COCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12d23;s5d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  5.080;  5.040,5.06,0.02,0.02,2.0,5.06,0.02
-QXWXGTVYUFKGDE_on_P41594_WT,High,ChEMBL30,CHEMBL3694790,CN(c1cncnc1)c1cc(Cl)cc(C(=O)Nc2cccc(F)n2)c1,QXWXGTVYUFKGDE,QXWXGTVYUFKGDE-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN5O/c1-24(14-8-20-10-21-9-14)13-6-11(5-12(18)7-13)17(25)23-16-4-2-3-15(19)22-16/h2-10H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,20,21,19,13,25,10,4,8,6,14,11,9,3,22,18,15,12,23,5,7,24,17,2,16/E:(8,9)(20,21)/rA:25CNCCNCNCCCCClCCCONCCCCCFNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d11;s13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-QXXCGFFXNAYIRR_on_P41594_WT,High,ChEMBL30,CHEMBL3702383,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)n1,QXXCGFFXNAYIRR,QXXCGFFXNAYIRR-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O/c1-21-7-6-14(20-21)15-9-16-12-3-2-4-13(18)11(12)5-8-22(16)17(23)10-19-15/h2-4,6-7,9H,5,8,10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,4,3,12,22,8,14,15,19,5,6,21,9,20,7,23,2,11,10/rA:23CNCCCCNCCONCCCCCCCCICCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.000;  6.780,7.39,0.61,0.61,2.0,7.39,0.61
-QXXCGFFXNAYIRR_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702383,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)n1,QXXCGFFXNAYIRR,QXXCGFFXNAYIRR-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O/c1-21-7-6-14(20-21)15-9-16-12-3-2-4-13(18)11(12)5-8-22(16)17(23)10-19-15/h2-4,6-7,9H,5,8,10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,4,3,12,22,8,14,15,19,5,6,21,9,20,7,23,2,11,10/rA:23CNCCCCNCCONCCCCCCCCICCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.460;  5.890,6.675,0.785,0.785,2.0,6.675,0.785
-QXXHRDARSLCBQO_on_P31644_WT,High,ChEMBL30,CHEMBL3681425,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(Cl)cc2)no1,QXXHRDARSLCBQO,QXXHRDARSLCBQO-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,20,25,8,21,24,7,16,4,13,2,19,9,22,3,6,18,10,23,17,12,26,11,5,27/E:(1,2)(4,5)(7,8)/rA:27CCCCOCCCCCONCCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-QXYBUVLJWXHUMM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3943586,Cc1ccc(C#CC23CC4CC(C2)CC(NC(=O)c2cnccn2)(C4)C3)cn1,QXYBUVLJWXHUMM,QXYBUVLJWXHUMM-UHFFFAOYSA-N,"InChI=1S/C23H24N4O/c1-16-2-3-17(13-26-16)4-5-22-9-18-8-19(10-22)12-23(11-18,15-22)27-21(28)20-14-24-6-7-25-20/h2-3,6-7,13-14,18-19H,8-12,15H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,3,4,6,7,22,23,11,9,13,25,14,27,20,26,2,5,10,12,19,17,8,15,21,24,28,16,18/E:(9,10)(11,12)(18,19)/rA:28CCCCCCCCCCCCCCCNCOCCNCCNCCCN/rB:s1;d2;s3;d4;s5;t6;s7;s8;s9;s10;s11;s8s12;s12;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s10s15;s8s15;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-QXZGSQAJHBQSSV_on_P14867_WT,Low,ChEMBL30,CHEMBL202343,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cc4C#N)c(F)cc3)n2nc1,QXZGSQAJHBQSSV,QXZGSQAJHBQSSV-UHFFFAOYSA-N,"InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3","""AuxInfo=1/0/N:1,3,27,26,20,12,17,22,9,30,11,21,18,13,24,15,10,5,14,7,2,19,25,16,23,8,29,6,28,4/E:(1,2)/rA:30CCCOCNCNCCCCCCCFCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;s21;t22;d13;s24;s24;s11d26;s7s10;s28;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.820,9.82,0.0,0.0,1.0,9.82,0.0
-QXZGSQAJHBQSSV_on_P18507_WT,Low,ChEMBL30,CHEMBL202343,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cc4C#N)c(F)cc3)n2nc1,QXZGSQAJHBQSSV,QXZGSQAJHBQSSV-UHFFFAOYSA-N,"InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3","""AuxInfo=1/0/N:1,3,27,26,20,12,17,22,9,30,11,21,18,13,24,15,10,5,14,7,2,19,25,16,23,8,29,6,28,4/E:(1,2)/rA:30CCCOCNCNCCCCCCCFCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;s21;t22;d13;s24;s24;s11d26;s7s10;s28;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.000;  9.820,9.41,0.41,0.41,2.0,9.41,0.41
-QXZGSQAJHBQSSV_on_P28472_WT,Low,ChEMBL30,CHEMBL202343,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cc4C#N)c(F)cc3)n2nc1,QXZGSQAJHBQSSV,QXZGSQAJHBQSSV-UHFFFAOYSA-N,"InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3","""AuxInfo=1/0/N:1,3,27,26,20,12,17,22,9,30,11,21,18,13,24,15,10,5,14,7,2,19,25,16,23,8,29,6,28,4/E:(1,2)/rA:30CCCOCNCNCCCCCCCFCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;s21;t22;d13;s24;s24;s11d26;s7s10;s28;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.000;  9.820,9.41,0.41,0.41,2.0,9.41,0.41
-QXZGSQAJHBQSSV_on_P47869_WT,Low,ChEMBL30,CHEMBL202343,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cc4C#N)c(F)cc3)n2nc1,QXZGSQAJHBQSSV,QXZGSQAJHBQSSV-UHFFFAOYSA-N,"InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3","""AuxInfo=1/0/N:1,3,27,26,20,12,17,22,9,30,11,21,18,13,24,15,10,5,14,7,2,19,25,16,23,8,29,6,28,4/E:(1,2)/rA:30CCCOCNCNCCCCCCCFCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;s21;t22;d13;s24;s24;s11d26;s7s10;s28;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-QYAHTCVLUWYSHM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70687689;CHEMBL2022171,Cn1ccc(=O)nc1NC(=O)Nc1cc(Cl)ccc1,QYAHTCVLUWYSHM,QYAHTCVLUWYSHM-UHFFFAOYSA-N,"InChI=1S/C12H11ClN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,18,17,19,4,3,14,15,13,5,8,10,16,12,7,9,2,6,11/rA:19CNCCCONCNCONCCCClCCC/rB:s1;s2;d3;s4;d5;s5;s2d7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  6.071;  6.070,6.071000000000001,0.0,0.0,2.0,6.071000000000001,0.0
-QYCMOMQQQZLZJM_on_Q14416_WT,High,ChEMBL30,CHEMBL183234,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCc1n[nH]nn1)c2,QYCMOMQQQZLZJM,QYCMOMQQQZLZJM-UHFFFAOYSA-N,"InChI=1S/C20H24Cl2N4O2/c1-20(13-6-2-3-7-13)11-12-10-14(17(21)18(22)16(12)19(20)27)28-9-5-4-8-15-23-25-26-24-15/h10,13H,2-9,11H2,1H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,5,6,21,20,4,7,22,19,28,8,9,3,17,23,10,15,13,11,2,16,14,24,27,25,26,12,18/E:(2,3)(6,7)(23,24)(25,26)/rA:28CCCCCCCCCCCOCClCClCOCCCCCNNNNC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;s22;d23;s24;s25;s23d26;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-QYCNPBCEFWOVKA_on_O15399_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-QYCNPBCEFWOVKA_on_O60391_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-QYCNPBCEFWOVKA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-QYCNPBCEFWOVKA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746993;CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  5.890;  7.220;  7.300,6.803,0.647,0.457,3.0,7.22,0.08
-QYCNPBCEFWOVKA_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.300;  7.220,7.26,0.04,0.04,2.0,7.26,0.04
-QYCNPBCEFWOVKA_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.220;  5.890,6.555,0.665,0.665,2.0,6.555,0.665
-QYCNPBCEFWOVKA_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192275,O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1,QYCNPBCEFWOVKA,QYCNPBCEFWOVKA-UHFFFAOYSA-N,"InChI=1S/C23H21N4O6P/c28-21-22(29)26-20-18(11-17(27(30)31)12-19(20)25-21)23(24-13-15-7-3-1-4-8-15)34(32,33)14-16-9-5-2-6-10-16/h1-12,23-24H,13-14H2,(H,25,28)(H,26,29)(H,32,33)","""AuxInfo=1/1/N:13,23,12,14,22,24,11,15,21,25,5,34,9,19,10,20,4,6,33,26,30,28,7,8,32,27,2,31,29,1,3,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(30,31)(32,33)/CRV:27.5/rA:34ON+O-CCCCNCCCCCCCPOOCCCCCCCCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s7;d16;s16;s16;s19;d20;s21;d22;s23;s20d24;d6;s26;d27;s28;s28;s30;d30;s26s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-QYDUEZJXOJGOIY_on_P41594_WT,Medium,ChEMBL30,CHEMBL445922,CCOc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,QYDUEZJXOJGOIY,QYDUEZJXOJGOIY-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-2-26-19-12-4-3-10-17(19)15-8-7-9-16(14-15)25-23-20(22-24-25)18-11-5-6-13-21-18/h3-14H,2H2,1H3","""AuxInfo=1/0/N:1,2,24,25,19,18,8,7,9,23,20,26,17,22,6,10,5,15,4,14,16,13,21,12,11,3/rA:26CCOCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s5;d23;s24;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-QYEIQYJLVREYBI_on_O00591_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_O14764_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_P14867_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.830;  7.300,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P18505_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.300;  5.830,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P18507_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_P28472_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.300;  5.830,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P31644_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.300;  5.830,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P34903_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.300;  5.830,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P47869_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.830;  7.300,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P47870_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.300;  5.830,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P48169_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.830;  7.300,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_P78334_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEIQYJLVREYBI_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.830;  7.300,6.565,0.735,0.735,2.0,6.565,0.735
-QYEIQYJLVREYBI_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427538,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1,QYEIQYJLVREYBI,QYEIQYJLVREYBI-UHFFFAOYSA-N,"InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3","""AuxInfo=1/0/N:1,15,27,26,28,25,8,9,30,29,5,12,4,13,32,22,19,7,23,6,11,10,31,16,24,17,2,14,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;s25;s26;s23s27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-QYEYTDXVFLAODC_on_O15399_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_O60391_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_Q05586_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_Q12879_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_Q13224_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYEYTDXVFLAODC_on_Q14957_WT,Low,ChEMBL30,CHEMBL312588,Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1,QYEYTDXVFLAODC,QYEYTDXVFLAODC-UHFFFAOYSA-N,"InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)","""AuxInfo=1/1/N:1,13,14,12,16,15,21,9,2,8,17,10,3,5,6,7,4,18,11,19,20/E:(20,21)/CRV:18.5/rA:21CCCNCNNCCCOCCCCCCN+OO-C/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s10;d10;s12;s8d13;s3;d15;s16;s17;d18;s18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-QYGZQJAQOQLFSQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3985872,Cc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1,QYGZQJAQOQLFSQ,QYGZQJAQOQLFSQ-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O2S/c1-11-25-8-17(30-11)14-7-16(19(24)28)26-15-6-12(2-3-13(14)15)9-27-4-5-29-18(10-27)20(21,22)23/h2-3,6-8,18H,4-5,9-10H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,16,15,20,21,29,7,4,18,28,2,17,14,6,13,8,5,23,9,24,25,26,27,10,3,12,19,11,22,30/E:(21,22,23)/rA:30CCNCCCCCCNONCCCCCCNCCOCCFFFCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;s13d17;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-QYHUZHNGSCUWNP_on_Q14416_WT,High,ChEMBL30,CHEMBL4295230,Cc1cccc(-c2ccc(OCC3Cn4c(C)cc(=O)nc4O3)cc2)c1C,QYHUZHNGSCUWNP,QYHUZHNGSCUWNP-UHFFFAOYSA-N,"InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3","""AuxInfo=1/0/N:1,17,27,4,3,5,8,25,9,24,18,14,12,2,16,26,7,10,13,6,19,22,21,15,20,11,23/E:(7,8)(9,10)/rA:27CCCCCCCCCCOCCCNCCCCONCOCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;d16;s18;d19;s19;s15d21;s13s22;s10;s7d24;s2d6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-QYJPWTXOORHKCK_on_O15399_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_O60391_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_Q05586_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_Q12879_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_Q13224_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYJPWTXOORHKCK_on_Q14957_WT,Low,ChEMBL30,CHEMBL290747,N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,QYJPWTXOORHKCK,QYJPWTXOORHKCK-UHFFFAOYSA-N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-7(6(2-4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:4,17,2,3,5,13,6,10,8,1,12,7,14,11,9,15,16/E:(16,17)/CRV:13.5/rA:17NCCCCCNCOCONCN+OO-C/rB:t1;s2;d3;s4;d5;s6;d7;s8;s8;s10;s5d10;s6;s13;d14;s14;s3d13;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-QYOGWOJOKMYAOA_on_Q05586_WT,Medium,ChEMBL30,CHEMBL354692,Cc1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1,QYOGWOJOKMYAOA,QYOGWOJOKMYAOA-UHFFFAOYSA-N,"InChI=1S/C20H15Cl2N3O4/c1-10-3-2-4-12(5-10)25-16(26)9-24(20(25)29)8-13-17-14(22)6-11(21)7-15(17)23-18(13)19(27)28/h2-7,23H,8-9H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,4,3,5,29,23,20,12,10,2,21,6,13,24,19,8,26,14,15,27,22,25,18,11,7,9,16,17,28/E:(27,28)/rA:29CCCCCCNCOCNCCCCOONCCCClCCClCCOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s15;s14;s18;d19;s20;s21;d21;s23;s24;s13s19d24;s7s11;d27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-QYQJPFJLNUYYCT_on_P41594_WT,High,ChEMBL30,CHEMBL2071573,COc1cc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)ccc1,QYQJPFJLNUYYCT,QYQJPFJLNUYYCT-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-25-16-7-3-6-15(10-16)23-11-13(9-17(23)24)19-21-18(22-26-19)12-4-2-5-14(20)8-12/h2-8,10,13H,9,11H2,1H3","""AuxInfo=1/0/N:1,14,25,13,15,24,26,18,21,4,7,12,8,16,5,3,22,11,9,17,10,19,6,23,2,20/rA:26COCCCNCCCNCCCCCCClCNOCCOCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s16;s12d16;d11;s9s19;s8;s6s21;d22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-QYSYOGCIDRANAR_on_P14867_WT,High,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:15537339,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.080,9.08,0.0,0.0,1.0,9.08,0.0
-QYSYOGCIDRANAR_on_P18507_WT,Low,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4348560;CHEMBL4348561;CHEMBL829844;CHEMBL829845;CHEMBL829842;CHEMBL829843;CHEMBL839938,PMID:15537339,2004.0,PMID:30928713;PMID:30928713;PMID:15537339;PMID:15537339;PMID:15537339;PMID:15537339;PMID:15537339,2019;2019;2004;2004;2004;2004;2004,0,0,0,1,0,,=,  8.850;  8.520;  9.110;  8.850;  9.080;  9.070;  6.400,8.554,0.9,0.36700000000000005,7.0,8.85,0.23
-QYSYOGCIDRANAR_on_P28472_WT,Low,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829845;CHEMBL839938;CHEMBL829842;CHEMBL4348561;CHEMBL4348560;CHEMBL829844;CHEMBL829843,PMID:15537339,2004.0,PMID:15537339;PMID:15537339;PMID:15537339;PMID:30928713;PMID:30928713;PMID:15537339;PMID:15537339,2004;2004;2004;2019;2019;2004;2004,0,0,0,1,0,,=,  8.850;  6.400;  9.080;  8.520;  8.850;  9.110;  9.070,8.554,0.9,0.36700000000000005,7.0,8.85,0.23
-QYSYOGCIDRANAR_on_P31644_WT,High,ExCAPE-DB;ChEMBL30,6918583;CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,PubChemAID:726244;CHEMBL4403720,PMID:15537339,2004.0,PubChemAID:726244;PMID:31738537,2013;2020,0,0,0,0;1,1;0,,=,  8.854;  8.850,8.852,0.002,0.002,2.0,8.852,0.002
-QYSYOGCIDRANAR_on_P34903_WT,High,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:15537339,2004.0,PMID:31738537,2020,0,0,0,1,0,,=,  9.110,9.11,0.0,0.0,1.0,9.11,0.0
-QYSYOGCIDRANAR_on_P47869_WT,High,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2327955;CHEMBL4403717,PMID:15537339,2004.0,PMID:23121096;PMID:31738537,2013;2020,0,0,0,1,0,,=,  9.100;  9.070,9.085,0.015,0.015,2.0,9.085,0.015
-QYSYOGCIDRANAR_on_P48169_WT,Low,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839938,PMID:15537339,2004.0,PMID:15537339,2004,0,0,0,1,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-QYSYOGCIDRANAR_on_Q16445_WT,Low,ChEMBL30,CHEMBL363211,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,QYSYOGCIDRANAR,QYSYOGCIDRANAR-UHFFFAOYSA-N,"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3","""AuxInfo=1/0/N:1,12,13,14,23,3,8,17,20,2,4,9,18,10,5,15,11,19,7,21,6,24,26,22,25,16,27/E:(2,3,4)/rA:27CCCCCNNCCCCCCCCOCCNCNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s9s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839939,PMID:15537339,2004.0,PMID:15537339,2004,0,0,0,1,0,,<,  5.398,5.398,0.0,0.0,1.0,5.398,0.0
-QYULUNXYZOOROK_on_O00222_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1027702,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYULUNXYZOOROK_on_P41594_WT,High,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2065269;CHEMBL1685174;CHEMBL1685174,PMID:21295468,2011.0,PMID:22148748;PMID:21295468;PMID:21295468,2012;2011;2011,0,1,0,0,0,,=,  7.850;  7.510;  7.510,7.622999999999999,0.16,0.113,3.0,7.51,0.0
-QYULUNXYZOOROK_on_Q13255_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1027697,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYULUNXYZOOROK_on_Q14416_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1027698,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYULUNXYZOOROK_on_Q14831_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1027701,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYULUNXYZOOROK_on_Q14832_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1027699,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYULUNXYZOOROK_on_Q14833_WT,Low,ChEMBL30,CHEMBL505105,CNc1ncc(C#Cc2ccccc2)cn1,QYULUNXYZOOROK,QYULUNXYZOOROK-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,12,11,13,10,14,8,7,5,15,9,6,3,2,4,16/E:(3,4)(5,6)(9,10)(15,16)/rA:16CNCNCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1027700,PMID:19537763,2009.0,PMID:19537763,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYUSFCARADWBKN_on_P41594_WT,Low,ChEMBL30,CHEMBL403008,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cn(C)nc3)c2)n1,QYUSFCARADWBKN,QYUSFCARADWBKN-UHFFFAOYSA-N,"InChI=1S/C21H15F3N4/c1-14-11-28-13-18(21(22,23)24)9-20(28)19(26-14)7-6-15-4-3-5-16(8-15)17-10-25-27(2)12-17/h3-5,8-13H,1-2H3","""AuxInfo=1/0/N:1,24,18,17,19,15,14,27,11,26,3,22,5,2,16,20,21,6,13,12,7,8,9,10,25,28,23,4/E:(22,23,24)/rA:28CCCNCCCFFFCCCCCCCCCCCCNCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s23;s23;s21d25;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-QYWGVGXFTAOUQF_on_O15399_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_O60391_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_P41594_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_Q05586_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_Q12879_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_Q13224_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QYWGVGXFTAOUQF_on_Q14957_WT,Low,ChEMBL30,CHEMBL4174628,Cc1nn(-c2ccccc2)c(=O)c2nocc12,QYWGVGXFTAOUQF,QYWGVGXFTAOUQF-UHFFFAOYSA-N,"InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3","""AuxInfo=1/0/N:1,8,7,9,6,10,16,2,5,17,13,11,3,14,4,12,15/E:(3,4)(5,6)/rA:17CCNNCCCCCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;d11;s11;d13;s14;s15;s2s13d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QZAOSZVJAXUJFE_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL473806;4052597,Cc1ccc(N2C(=O)c3c(cccc3)NC2C(C)c2ccccc2)cc1,QZAOSZVJAXUJFE,QZAOSZVJAXUJFE-UHFFFAOYSA-N,"InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3","""AuxInfo=1/0/N:1,18,22,21,23,13,12,20,24,14,11,3,26,4,25,2,17,19,5,9,10,16,7,15,6,8/E:(4,5)(8,9)(12,13)(14,15)/rA:26CCCCCNCOCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s10;s6s15;s16;s17;s17;d19;s20;d21;s22;s19d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:19097893,2009.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  5.520;  5.523,5.521,0.002,0.002,2.0,5.521,0.002
-QZARWWZWTPDHPY_on_Q05586_WT,Low,ChEMBL30,CHEMBL350615,N=C(NCc1ccccc1)c1ccccc1,QZARWWZWTPDHPY,QZARWWZWTPDHPY-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,4,5,11,2,1,3/E:(3,4)(5,6)(7,8)(9,10)/rA:16NCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-QZARWWZWTPDHPY_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,200369;CHEMBL350615,N=C(NCc1ccccc1)c1ccccc1,QZARWWZWTPDHPY,QZARWWZWTPDHPY-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)","""AuxInfo=1/1/N:8,14,7,9,13,15,6,10,12,16,4,5,11,2,1,3/E:(3,4)(5,6)(7,8)(9,10)/rA:16NCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:1069035;CHEMBL3117327,PMID:12639560,2003.0,PubChemAID:1069035;PMID:24412068,2014,0,0,0,0;1,1;0,,=,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-QZDGCIBNFGXXRJ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784079;54580949,C#CC(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O,QZDGCIBNFGXXRJ,QZDGCIBNFGXXRJ-UHFFFAOYSA-N,"InChI=1S/C20H16N4OS/c1-4-13(3)23-15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-12(2)6-8-14/h1,5-11,13H,2-3H3,(H,21,23)","""AuxInfo=1/1/N:1,22,4,2,20,23,19,24,11,10,16,21,3,18,6,7,14,13,8,25,9,15,5,17,26,12/E:(5,6)(7,8)/rA:26CCCCNCCCNCCSCCNCNCCCCCCCCO/rB:t1;s2;s3;s3;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  6.500;  6.503,6.502000000000001,0.002,0.002,2.0,6.502000000000001,0.002
-QZDWWRKBDPYMIP_on_P14867_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4348552;CHEMBL676826,PMID:15027873,2004.0,PMID:30928713;PMID:15027873,2019;2004,0,0,0,1,0,,=,  8.570;  8.570,8.57,0.0,0.0,2.0,8.57,0.0
-QZDWWRKBDPYMIP_on_P18507_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4348552;CHEMBL4348554;CHEMBL4348555;CHEMBL678741;CHEMBL676826;CHEMBL681841;CHEMBL678745,PMID:15027873,2004.0,PMID:30928713;PMID:30928713;PMID:30928713;PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873,2019;2019;2019;2004;2004;2004;2004,0,0,0,1,0,,=,  8.570;  9.150;  9.480;  9.150;  8.570;  8.770;  9.480,9.024,0.363,0.14800000000000002,7.0,9.15,0.33
-QZDWWRKBDPYMIP_on_P28472_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL4348554;CHEMBL4348552;CHEMBL4348555,PMID:15027873,2004.0,PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873;PMID:30928713;PMID:30928713;PMID:30928713,2004;2004;2004;2004;2019;2019;2019,0,0,0,1,0,,=,  9.150;  9.480;  8.570;  8.770;  9.150;  8.570;  9.480,9.024,0.363,0.14800000000000002,7.0,9.15,0.33
-QZDWWRKBDPYMIP_on_P31644_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4348555;CHEMBL678745,PMID:15027873,2004.0,PMID:30928713;PMID:15027873,2019;2004,0,0,0,1,0,,=,  9.480;  9.480,9.48,0.0,0.0,2.0,9.48,0.0
-QZDWWRKBDPYMIP_on_P34903_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741;CHEMBL4348554,PMID:15027873,2004.0,PMID:15027873;PMID:30928713,2004;2019,0,0,0,1,0,,=,  9.150;  9.150,9.15,0.0,0.0,2.0,9.15,0.0
-QZDWWRKBDPYMIP_on_P47869_WT,Low,ChEMBL30,CHEMBL299611,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1,QZDWWRKBDPYMIP,QZDWWRKBDPYMIP-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-QZORXXWBXJAPEC_on_P41594_WT,High,ChEMBL30,CHEMBL194051,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)ccc1,QZORXXWBXJAPEC,QZORXXWBXJAPEC-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,26,8,12,27,25,16,20,22,5,7,21,23,15,6,4,2,24,3,13,14,1/E:(3,4)(5,6)(8,9)(12,13)/rA:27OCNCCCCCCCCCNNCCCCCCCCCFCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-QZPFBODOSHPVFE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109697,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CC(C(F)(F)F)OC(C)(C)C2)c3)cn1,QZPFBODOSHPVFE,QZPFBODOSHPVFE-UHFFFAOYSA-N,"InChI=1S/C22H24F3N5O2/c1-21(2)12-30(11-19(32-21)22(23,24)25)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13/h4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31)","""AuxInfo=1/1/N:27,28,1,15,14,30,6,31,17,3,19,29,16,4,13,5,12,7,20,8,26,21,22,23,24,9,32,11,2,18,10,25/E:(1,2)(23,24,25)/rA:32CNCCCCCCNONCCCCCCNCCCFFFOCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s21;s21;s20;s25;s26;s26;s18s26;s12d16;s4;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-QZRKGRVSSOPKFF_on_P41594_WT,High,ChEMBL30,CHEMBL2151482,Cc1cc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)ccc1,QZRKGRVSSOPKFF,QZRKGRVSSOPKFF-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,25,26,24,17,20,16,21,3,10,22,2,4,9,18,15,5,8,19,23,6,11,13,14,7,12/E:(5,6)(7,8)(10,11)(23,24)/CRV:26.6/rA:26CCCCCNOCCCNSOOCCCCFCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;d12;s12;d15;s16;d17;s18;s18;s15d20;s9s11;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-QZSQUSWYSVWWGC_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672247;51003327,O=C(Nc1ccc(NC(=O)c2ccccc2F)c(Cl)c1)c1ncccc1,QZSQUSWYSVWWGC,QZSQUSWYSVWWGC-UHFFFAOYSA-N,"InChI=1S/C19H13ClFN3O2/c20-14-11-12(23-19(26)17-7-3-4-10-22-17)8-9-16(14)24-18(25)13-5-1-2-6-15(13)21/h1-11H,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:13,14,25,24,12,15,26,5,6,23,20,4,11,18,16,7,21,9,2,19,17,22,3,8,10,1/rA:26OCNCCCCNCOCCCCCCFCClCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s4d18;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441;PubChemAID:577305,PMID:21247167,2011.0,PMID:21247167;PubChemAID:577305,2011,0,1;0,0,0,0;1,,=,  5.620;  5.623,5.622000000000001,0.002,0.002,2.0,5.622000000000001,0.002
-QZVVTUGVJFSMAN_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647538,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C3CCC3)cc2OC)c1,QZVVTUGVJFSMAN,QZVVTUGVJFSMAN-UHFFFAOYSA-N,"InChI=1S/C24H23FN4O3S/c1-3-29-14-26-23-20(13-27-28-24(23)29)15-7-10-21(25)19(11-15)18-9-8-17(12-22(18)32-2)33(30,31)16-5-4-6-16/h7-14,16H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,32,2,27,26,28,13,20,19,14,33,29,10,4,12,25,21,18,17,11,15,30,6,7,16,5,9,8,3,23,24,31,22/E:(5,6)(30,31)/CRV:33.6/rA:33CCNCNCCNNCCCCCCFCCCCCSOOCCCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s26;s25s27;s21;s18d29;s30;s31;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-QZWWRTJEEHDDIY_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2418383;72163719;CHEMBL2418383,N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cccc1,QZWWRTJEEHDDIY,QZWWRTJEEHDDIY-UHFFFAOYSA-N,"InChI=1S/C24H29N3O/c25-11-19-3-1-2-4-22(19)26-12-20-14-27(15-21(20)13-26)23(28)24-8-16-5-17(9-24)7-18(6-16)10-24/h1-4,16-18,20-21H,5-10,12-15H2","""AuxInfo=1/0/N:27,26,28,25,15,17,19,21,13,20,2,6,24,8,22,16,14,18,3,7,23,4,10,12,1,5,9,11/E:(5,6,7)(8,9,10)(12,13)(14,15)(16,17,18)(20,21)/rA:28NCCCNCCCNCOCCCCCCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;s9;s7s22;s5s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;PubChemAID:767436;CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792;PubChemAID:767436;PMID:23932792,2013;2014;2013,1;0;1,0,0,0,0;1;0,,=,  6.730;  6.733;  6.730,6.731,0.001,0.001,3.0,6.73,0.0
-QZXGTLPVZURHKO_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684100,O=C1c2c(CCN1CC1CCC1)nc(C#Cc1cc(F)ccc1)cc2,QZXGTLPVZURHKO,QZXGTLPVZURHKO-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O/c22-17-6-2-3-15(13-17)7-8-18-9-10-19-20(23-18)11-12-24(21(19)25)14-16-4-1-5-16/h2-3,6,9-10,13,16H,1,4-5,11-12,14H2","""AuxInfo=1/0/N:11,22,23,10,12,21,16,15,24,25,5,6,18,8,17,9,19,14,3,4,2,20,13,7,1/E:(4,5)/rA:25OCCCCCNCCCCCNCCCCCCFCCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s9s11;s4;d13;s14;t15;s16;d17;s18;s19;d19;s21;s17d22;s14;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-QZXSZTRXTWALLO_on_P31644_WT,High,ChEMBL30,CHEMBL3681441,COC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,QZXSZTRXTWALLO,QZXSZTRXTWALLO-UHFFFAOYSA-N,"InChI=1S/C18H12F4N2O4/c1-26-17(25)11-4-7-14(23-8-11)27-9-13-15(10-2-5-12(19)6-3-10)24-28-16(13)18(20,21)22/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,21,26,6,22,25,7,28,10,20,5,23,11,8,19,12,3,13,24,14,15,16,27,18,4,2,9,17/E:(2,3)(5,6)(20,21,22)/rA:28COCOCCCCOCCCCFFFONCCCCCFCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s13;s13;s13;s12;s17;s11d18;s19;d20;s21;d22;s23;s23;s20d25;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-QZYPAZSTHJGMGS_on_O15399_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_O60391_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_Q05586_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_Q12879_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_Q13224_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-QZYPAZSTHJGMGS_on_Q14957_WT,Low,ChEMBL30,CHEMBL168925,CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1,QZYPAZSTHJGMGS,QZYPAZSTHJGMGS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)","""AuxInfo=1/1/N:1,2,19,18,20,17,8,14,9,13,22,21,15,16,7,11,4,10,6,12,5,3/rA:22CCOCONCCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-RABJVACKXRTLFM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952287,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCC4)nc4ccccc43)cc2n1,RABJVACKXRTLFM,RABJVACKXRTLFM-UHFFFAOYSA-N,"InChI=1S/C28H23FN4O/c29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19/h1-2,6-15,19H,3-5,16H2,(H2,30,34)","""AuxInfo=1/1/N:28,29,23,22,24,27,30,16,8,13,9,12,15,32,5,18,17,7,21,10,14,6,26,33,4,31,2,20,11,1,34,25,19,3/E:(4,5)(9,10)(11,12)/rA:34NCOCCCCCCCFCCCCCCCNCCCCCNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s21s23;d20;s25;d26;s27;d28;s29;s19s26d30;d17;s14s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-RACLCHHASISYPU_on_P18507_WT,Low,ChEMBL30,CHEMBL395136,CCCc1c(CO)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RACLCHHASISYPU,RACLCHHASISYPU-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-RACLCHHASISYPU_on_P28472_WT,High,ChEMBL30,CHEMBL395136,CCCc1c(CO)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RACLCHHASISYPU,RACLCHHASISYPU-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-RACLCHHASISYPU_on_P47869_WT,Low,ChEMBL30,CHEMBL395136,CCCc1c(CO)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RACLCHHASISYPU,RACLCHHASISYPU-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-RACLCHHASISYPU_on_P47870_WT,Low,ChEMBL30,CHEMBL395136,CCCc1c(CO)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RACLCHHASISYPU,RACLCHHASISYPU-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,2,3,12,18,6,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8,7/E:(4,5)(8,9)(14,15)(16,17,18)/rA:22CCCCCCONCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-RACNCOSUCJNQDH_on_O00222_WT,Medium,ChEMBL30,CHEMBL227288;CHEMBL34880;CHEMBL229697,NC1(C(=O)O)CC1CP(=O)(O)O,RACNCOSUCJNQDH,RACNCOSUCJNQDH-UHFFFAOYSA-N,"InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:6,8,7,3,2,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/rA:12NCCOOCCCPOOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL890721,PMID:17602546,2007.0,PMID:17602546,2007,0,1,0,0,0,,=,  5.670;  5.190;  6.470,5.777,0.528,0.373,3.0,5.67,0.48
-RACNCOSUCJNQDH_on_O15303_WT,Medium,ChEMBL30,CHEMBL227288;CHEMBL229697,NC1(C(=O)O)CC1CP(=O)(O)O,RACNCOSUCJNQDH,RACNCOSUCJNQDH-UHFFFAOYSA-N,"InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:6,8,7,3,2,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/rA:12NCCOOCCCPOOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL890719,PMID:17602546,2007.0,PMID:17602546,2007,0,1,0,0,0,,=,  5.470;  5.710,5.59,0.12,0.12,2.0,5.59,0.12
-RACNCOSUCJNQDH_on_Q14831_WT,Low,ChEMBL30,CHEMBL227288;CHEMBL229697,NC1(C(=O)O)CC1CP(=O)(O)O,RACNCOSUCJNQDH,RACNCOSUCJNQDH-UHFFFAOYSA-N,"InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:6,8,7,3,2,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/rA:12NCCOOCCCPOOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL890720,PMID:17602546,2007.0,PMID:17602546,2007,0,1,0,0,0,,=,  3.204;  3.220,3.2119999999999997,0.008,0.008,2.0,3.2119999999999997,0.008
-RACNCOSUCJNQDH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL229697;CHEMBL440648;CHEMBL227288;CHEMBL34880;CHEMBL440648;CHEMBL287703;CHEMBL34880,NC1(C(=O)O)CC1CP(=O)(O)O,RACNCOSUCJNQDH,RACNCOSUCJNQDH-UHFFFAOYSA-N,"InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:6,8,7,3,2,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/rA:12NCCOOCCCPOOO/rB:s1;s2;d3;s3;s2;s2s6;s7;s8;d9;s9;s9;/rC:;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL890718;CHEMBL837346;CHEMBL890718;CHEMBL890718;CHEMBL837346;CHEMBL715495;CHEMBL715495,PMID:10888329,2000.0,PMID:17602546;PMID:15582410;PMID:17602546;PMID:17602546;PMID:15582410;PMID:10888329;PMID:10888329,2007;2005;2007;2007;2005;2000;2000,0,1,0,0,0,,=,  6.140;  6.240;  5.730;  4.390;  5.100;  5.100;  6.240,5.563,0.664,0.271,7.0,5.73,0.51
-RAHUQMWUVSMABB_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681889,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCc2ccccc2Cl)cc1,RAHUQMWUVSMABB,RAHUQMWUVSMABB-UHFFFAOYSA-N,"InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2","""AuxInfo=1/0/N:23,13,24,12,22,14,25,11,3,29,4,28,16,20,21,2,5,9,17,26,10,8,18,1,27,15,7,6,19/E:(9,10)(11,12)/rA:29ClCCCCNNCCCCCCCNCCCOCCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-RAHUQMWUVSMABB_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681889,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCc2ccccc2Cl)cc1,RAHUQMWUVSMABB,RAHUQMWUVSMABB-UHFFFAOYSA-N,"InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2","""AuxInfo=1/0/N:23,13,24,12,22,14,25,11,3,29,4,28,16,20,21,2,5,9,17,26,10,8,18,1,27,15,7,6,19/E:(9,10)(11,12)/rA:29ClCCCCNNCCCCCCCNCCCOCCCCCCCClCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-RAKFHCHZUYRJKQ_on_P14867_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-RAKFHCHZUYRJKQ_on_P18507_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750;  7.720;  8.700;  7.030,7.8,0.594,0.34299999999999997,4.0,7.735,0.36
-RAKFHCHZUYRJKQ_on_P28472_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750;  8.700;  7.030;  7.720,7.8,0.594,0.34299999999999997,4.0,7.735,0.36
-RAKFHCHZUYRJKQ_on_P31644_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-RAKFHCHZUYRJKQ_on_P34903_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-RAKFHCHZUYRJKQ_on_P47869_WT,Low,ChEMBL30,CHEMBL360733,Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1,RAKFHCHZUYRJKQ,RAKFHCHZUYRJKQ-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-11-12-25-19(13-15)14-30-24-21-17-9-7-16(8-10-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-6,11-13,16-17H,7-10,14H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,30,29,3,5,2,25,22,11,4,20,21,10,19,7,28,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCCOCNNCCCCCCCNNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-RALCKJQTZWQRLL_on_P41594_WT,Low,ChEMBL30,CHEMBL608695,O=C(c1ccc(NC2CCCCC2)nc1)N1CCCCC1,RALCKJQTZWQRLL,RALCKJQTZWQRLL-UHFFFAOYSA-N,"InChI=1S/C17H25N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h9-10,13,15H,1-8,11-12H2,(H,18,19)","""AuxInfo=1/1/N:11,19,10,12,18,20,9,13,4,5,17,21,15,3,8,6,2,14,7,16,1/E:(3,4)(5,6)(7,8)(11,12)/rA:21OCCCCCNCCCCCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s6;s3d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RANFDSQQLNBMJN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1096711;46887370,CC(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,RANFDSQQLNBMJN,RANFDSQQLNBMJN-UHFFFAOYSA-N,"InChI=1S/C19H21NO3/c1-14(2)15-8-10-17(11-9-15)22-13-18-12-20(19(21)23-18)16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,5,23,6,22,11,9,2,4,13,7,10,19,12,20,8,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:23CCCCCCCOCCCNCCCCCCCOOCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s10s19;s7;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  6.440;  6.444,6.442,0.002,0.002,2.0,6.442,0.002
-RARDZQWGAVAIAO_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL593744;24849462;CHEMBL593744,Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2c1cccc2,RARDZQWGAVAIAO,RARDZQWGAVAIAO-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,10,15,11,14,7,16,6,17,4,9,8,12,19,20,3,13,18,2,5/E:(6,7)(8,9)(10,11)(12,13)/rA:24CNCCNCCCCCCCClCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;PubChemAID:453995;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096;PubChemAID:453995;PMID:20005096,2010,0,1;0;1,0,0,0;1;0,,=,  7.100;  7.100;  5.300,6.5,0.8490000000000001,0.6,3.0,7.1,0.0
-RARPYAVALSABGF_on_O15399_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_O60391_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_Q05586_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_Q12879_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_Q13224_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RARPYAVALSABGF_on_Q14957_WT,Low,ChEMBL30,CHEMBL145806,Nc1c(NCCCP(=O)(O)O)c(=O)c1=O,RARPYAVALSABGF,RARPYAVALSABGF-UHFFFAOYSA-N,"InChI=1S/C7H11N2O5P/c8-4-5(7(11)6(4)10)9-2-1-3-15(12,13)14/h9H,1-3,8H2,(H2,12,13,14)","""AuxInfo=1/1/N:6,5,7,2,3,14,12,1,4,15,13,9,10,11,8/E:(12,13,14)/rA:15NCCNCCCPOOOCOCO/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s8;s3;d12;s2s12;d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RASKYMQICXHQMH_on_Q05586_WT,Low,ChEMBL30,CHEMBL607819,CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1,RASKYMQICXHQMH,RASKYMQICXHQMH-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,7,27,25,8,26,24,16,15,19,11,6,18,9,22,20,12,23,21,17,14,5,13,3,4,10,2/E:(2,3)(5,6)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-RASKYMQICXHQMH_on_Q13224_WT,Low,ChEMBL30,CHEMBL607819,CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1,RASKYMQICXHQMH,RASKYMQICXHQMH-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,7,27,25,8,26,24,16,15,19,11,6,18,9,22,20,12,23,21,17,14,5,13,3,4,10,2/E:(2,3)(5,6)(24,25)/CRV:27.6/rA:27CSOONCCCCOCCONCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-RATYBSYTTXELSZ_on_P41594_WT,High,ChEMBL30,CHEMBL206427,Cc1cc(N(C)C(=O)Cc2c(F)cccc2F)cc(OCc2cccc(Cl)c2)c1,RATYBSYTTXELSZ,RATYBSYTTXELSZ-UHFFFAOYSA-N,"InChI=1S/C23H20ClF2NO2/c1-15-9-18(12-19(10-15)29-14-16-5-3-6-17(24)11-16)27(2)23(28)13-20-21(25)7-4-8-22(20)26/h3-12H,13-14H2,1-2H3","""AuxInfo=1/0/N:1,6,24,14,23,25,13,15,3,29,28,18,9,21,2,22,26,4,19,10,11,16,7,27,12,17,5,8,20/E:(7,8)(21,22)(25,26)/rA:29CCCCNCCOCCCFCCCCFCCOCCCCCCClCC/rB:s1;d2;s3;s4;s5;s5;d7;s7;s9;d10;s11;s11;d13;s14;s10d15;s16;d4;s18;s19;s20;s21;d22;s23;d24;s25;s26;s22d26;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-RAUYYFXYAMFKNU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111744,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)cc(C)n1,RAUYYFXYAMFKNU,RAUYYFXYAMFKNU-UHFFFAOYSA-N,"InChI=1S/C25H29N3O2/c1-15-11-19(5-8-23(15)30-21-6-7-21)25-27-24(20-12-16(2)26-17(3)13-20)22-9-10-29-18(4)14-28(22)25/h5,8,11-13,18,21H,6-7,9-10,14H2,1-4H3","""AuxInfo=1/0/N:24,1,29,11,16,21,22,17,7,8,25,3,27,12,23,2,28,10,15,4,20,6,18,5,14,30,26,13,9,19/E:(2,3)(6,7)(12,13)(16,17)/rA:30CCCCCCCCOCCCNCCCCCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-RBAHIIPVJVMACF_on_P41594_WT,High,ChEMBL30,CHEMBL2386850,Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1,RBAHIIPVJVMACF,RBAHIIPVJVMACF-UHFFFAOYSA-N,"InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)","""AuxInfo=1/1/N:1,19,18,3,12,22,7,11,9,2,20,4,6,13,17,14,21,8,10,23,24,16,15,5/E:(7,8)(18,19)/rA:24CCCCOCCNCNCCCCONCCCCFCNN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;d4;s12;s13;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4039257,PMID:28530802,2017.0,PMID:28530802,2017,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-RBCAYAXNUDHBOR_on_P31644_WT,High,ChEMBL30,CHEMBL3681584,Cc1c(COCc2ccc(C(N)=O)cn2)c(-c2ccc(F)cn2)no1,RBCAYAXNUDHBOR,RBCAYAXNUDHBOR-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O3/c1-10-14(16(22-25-10)15-5-3-12(18)7-21-15)9-24-8-13-4-2-11(6-20-13)17(19)23/h2-7H,8-9H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,9,19,8,18,14,22,6,4,2,10,20,7,3,17,16,11,21,12,15,23,24,13,5,25/rA:25CCCCOCCCCCCNOCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d11;s10;s7d14;s3;s16;d17;s18;d19;s20;s20;s17d22;d16;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-RBCUOKGPVVSZPC_on_P14867_WT,Low,ChEMBL30,CHEMBL3971200,Cc1cn2c(CC(=O)N(C)C)c(-c3ccc(F)cc3)nc2cc1,RBCUOKGPVVSZPC,RBCUOKGPVVSZPC-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,10,11,23,14,19,15,18,22,6,3,2,13,16,5,21,7,12,17,20,9,4,8/E:(2,3)(5,6)(7,8)/rA:23CCCNCCCONCCCCCCCFCCNCCC/rB:s1;d2;s3;s4;s5;s6;d7;s7;s9;s9;d5;s12;d13;s14;d15;s16;s16;s13d18;s12;s4d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RBCUOKGPVVSZPC_on_P18507_WT,Low,ChEMBL30,CHEMBL3971200,Cc1cn2c(CC(=O)N(C)C)c(-c3ccc(F)cc3)nc2cc1,RBCUOKGPVVSZPC,RBCUOKGPVVSZPC-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,10,11,23,14,19,15,18,22,6,3,2,13,16,5,21,7,12,17,20,9,4,8/E:(2,3)(5,6)(7,8)/rA:23CCCNCCCONCCCCCCCFCCNCCC/rB:s1;d2;s3;s4;s5;s6;d7;s7;s9;s9;d5;s12;d13;s14;d15;s16;s16;s13d18;s12;s4d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RBCUOKGPVVSZPC_on_P47870_WT,Low,ChEMBL30,CHEMBL3971200,Cc1cn2c(CC(=O)N(C)C)c(-c3ccc(F)cc3)nc2cc1,RBCUOKGPVVSZPC,RBCUOKGPVVSZPC-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:1,10,11,23,14,19,15,18,22,6,3,2,13,16,5,21,7,12,17,20,9,4,8/E:(2,3)(5,6)(7,8)/rA:23CCCNCCCONCCCCCCCFCCNCCC/rB:s1;d2;s3;s4;s5;s6;d7;s7;s9;s9;d5;s12;d13;s14;d15;s16;s16;s13d18;s12;s4d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RBFAFSYSUQNPLJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893651,CN1C(=O)N(c2cnc(C#Cc3ccccc3)cn2)CC1(C)C,RBFAFSYSUQNPLJ,RBFAFSYSUQNPLJ-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-18(2)13-22(17(23)21(18)3)16-12-19-15(11-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-12H,13H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,18,7,20,12,9,6,3,21,8,19,2,5,4/E:(1,2)(5,6)(7,8)/rA:23CNCONCCNCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-RBHZPRAUKHDEPX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3918313,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C4CC4)C3)cc2n1,RBHZPRAUKHDEPX,RBHZPRAUKHDEPX-UHFFFAOYSA-N,"InChI=1S/C24H25FN4O/c25-18-6-4-16(5-7-18)20-12-22(24(26)30)28-21-11-15(1-8-19(20)21)13-29-10-9-27-23(14-29)17-2-3-17/h1,4-8,11-12,17,23,27H,2-3,9-10,13-14H2,(H2,26,30)","""AuxInfo=1/1/N:16,25,26,8,13,9,12,15,21,20,28,5,18,27,17,7,24,10,14,6,29,4,23,2,11,1,22,30,19,3/E:(2,3)(4,5)(6,7)/rA:30NCOCCCCCCCFCCCCCCCNCCNCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24s25;s19s23;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-RBJYKFLLCXRSGC_on_P31644_WT,High,ChEMBL30,CHEMBL3681569,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccccn2)no1,RBJYKFLLCXRSGC,RBJYKFLLCXRSGC-UHFFFAOYSA-N,"InChI=1S/C21H22N4O4/c1-14-17(20(25-29-14)18-4-2-3-9-22-18)13-28-19-6-5-15(12-23-19)21(26)24-16-7-10-27-11-8-16/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,25,23,8,7,14,18,26,15,17,19,4,2,9,13,3,22,6,21,10,27,20,12,28,11,16,5,29/E:(7,8)(10,11)/rA:29CCCCOCCCCCONCCCOCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-RBKBGIONDAWNLO_on_Q13224_WT,High,ChEMBL30,CHEMBL435316,O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1,RBKBGIONDAWNLO,RBKBGIONDAWNLO-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c23-18(24-14-16-5-2-1-3-6-16)22-11-7-15(8-12-22)13-21-17-19-9-4-10-20-17/h1-6,9-10,15H,7-8,11-14H2,(H,19,20,21)","""AuxInfo=1/1/N:8,7,9,20,6,10,13,23,19,21,12,24,15,4,14,5,17,2,18,22,16,11,1,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)(19,20)/rA:24OCOCCCCCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-RBKUXWNUYGJMQF_on_P41594_WT,Low,ChEMBL30,CHEMBL255204,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(C(=O)OC(C)(C)C)c2)n1,RBKUXWNUYGJMQF,RBKUXWNUYGJMQF-UHFFFAOYSA-N,"InChI=1S/C22H19F3N2O2/c1-14-12-27-13-17(22(23,24)25)11-19(27)18(26-14)9-8-15-6-5-7-16(10-15)20(28)29-21(2,3)4/h5-7,10-13H,1-4H3","""AuxInfo=1/0/N:1,25,26,27,18,17,19,15,14,28,11,3,5,2,16,20,6,13,12,21,24,7,8,9,10,29,4,22,23/E:(2,3,4)(23,24,25)/rA:29CCCNCCCFFFCCCCCCCCCCCOOCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s21;s23;s24;s24;s24;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-RBKVBLHALJKRDF_on_Q14833_WT,High,ChEMBL30,CHEMBL3609737,N#Cc1c(F)ccc(NC(=O)c2ncccc2)c1,RBKVBLHALJKRDF,RBKVBLHALJKRDF-UHFFFAOYSA-N,"InChI=1S/C13H8FN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)","""AuxInfo=1/1/N:16,15,17,7,6,14,18,2,3,8,4,12,10,5,1,13,9,11/rA:18NCCCFCCCNCOCNCCCCC/rB:t1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.130;  8.130,8.13,0.0,0.0,2.0,8.13,0.0
-RBLVGJFRSMTPTM_on_P41594_WT,Low,ChEMBL30,CHEMBL1784063,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O,RBLVGJFRSMTPTM,RBLVGJFRSMTPTM-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS2/c1-10(2)6-20-17-14-15-16(28-18(14)22-7-21-17)19(26)25(8-23-15)11-3-4-13-12(5-11)24-9-27-13/h3-5,7-9H,1,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,19,20,26,4,10,16,23,2,18,25,21,7,14,13,6,8,27,5,11,9,15,24,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCSCNCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-RBLVGJFRSMTPTM_on_Q13255_WT,High,ChEMBL30,CHEMBL1784063,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O,RBLVGJFRSMTPTM,RBLVGJFRSMTPTM-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS2/c1-10(2)6-20-17-14-15-16(28-18(14)22-7-21-17)19(26)25(8-23-15)11-3-4-13-12(5-11)24-9-27-13/h3-5,7-9H,1,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,19,20,26,4,10,16,23,2,18,25,21,7,14,13,6,8,27,5,11,9,15,24,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCSCNCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-RBMPSWHARBABOC_on_P14867_WT,Low,ChEMBL30,CHEMBL285328;CHEMBL284418,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.850;  6.400,7.125,0.725,0.725,2.0,7.125,0.725
-RBMPSWHARBABOC_on_P18507_WT,Low,ChEMBL30,CHEMBL284418;CHEMBL285328;CHEMBL285328;CHEMBL284418;CHEMBL284418;CHEMBL285328,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682708;CHEMBL677847;CHEMBL680431;CHEMBL677847;CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.700;  7.850;  7.640;  6.400;  6.600;  7.660,7.142,0.586,0.262,6.0,7.17,0.53
-RBMPSWHARBABOC_on_P28472_WT,Low,ChEMBL30,CHEMBL285328;CHEMBL284418;CHEMBL285328;CHEMBL284418,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL682708;CHEMBL680431;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.660;  6.700;  7.640;  6.600,7.15,0.501,0.289,4.0,7.17,0.48
-RBMPSWHARBABOC_on_P34903_WT,Low,ChEMBL30,CHEMBL285328;CHEMBL284418,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.640;  6.600,7.12,0.52,0.52,2.0,7.12,0.52
-RBMPSWHARBABOC_on_P47869_WT,Low,ChEMBL30,CHEMBL284418;CHEMBL285328,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.700;  7.660,7.18,0.48,0.48,2.0,7.18,0.48
-RBMPSWHARBABOC_on_P47870_WT,Low,ChEMBL30,CHEMBL284418;CHEMBL285328,CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1,RBMPSWHARBABOC,RBMPSWHARBABOC-UHFFFAOYSA-N,"InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,26,25,27,24,7,21,29,14,6,8,28,20,23,18,16,4,9,22,15,19,17,5,10,3,11/E:(1,2)(3,4)(11,12)(13,14)(20,21)(26,27)(28,29)/rA:29CCOCOCCCCOOCCCNCOCOCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;s8;s14;s15;d16;s16;d18;s18;d20;s21;s22;d23;s24;d25;s26;s20s23d27;s6s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.400;  7.850,7.125,0.725,0.725,2.0,7.125,0.725
-RBOGQPFUPOSUGQ_on_Q14833_WT,High,ChEMBL30,CHEMBL4072094,ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCCc1cccnc1)cc2,RBOGQPFUPOSUGQ,RBOGQPFUPOSUGQ-UHFFFAOYSA-N,"InChI=1S/C24H20N4O3/c29-27-21-14-24(22-12-18-6-2-10-28(18)16-26-22)31-23-8-7-19(13-20(21)23)30-11-3-5-17-4-1-9-25-15-17/h1-2,4,6-10,12-16,29H,3,5,11H2","""AuxInfo=1/0/N:26,10,22,25,23,9,30,31,27,11,21,7,18,4,29,13,24,8,19,17,3,6,16,5,28,14,2,12,1,20,15/rA:31ONCCCCCCCCCNCNOCCCCOCCCCCCCNCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s8s11;s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s19;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-RBPTZTUDUGUXDB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3966266,CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1,RBPTZTUDUGUXDB,RBPTZTUDUGUXDB-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-12-25-19(11-18(23-25)14-27-20-5-3-2-4-6-20)13-24(15)21(26)16-7-9-17(22)10-8-16/h2-11,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,22,27,23,26,15,3,17,7,2,21,24,6,16,9,19,25,5,18,4,20,8/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCNNCCOCCCCCCCCCNCOCCCCFCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s4d15;s16;s2s17;s18;d19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.170;  6.620,6.395,0.225,0.225,2.0,6.395,0.225
-RBRTYAMQYDHHJU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3918174,Fc1ccc(CNc2c3ncccc3n[nH]2)cc1Cl,RBRTYAMQYDHHJU,RBRTYAMQYDHHJU-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN4/c14-9-6-8(3-4-10(9)15)7-17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)","""AuxInfo=1/1/N:12,13,4,3,11,17,6,5,18,2,14,9,8,19,1,10,7,15,16/rA:19FCCCCCNCCNCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s5;s2d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-RBSPCALDSNXWEP_on_P41594_WT,High,ChEMBL30,CHEMBL2164551,N#Cc1cc(-c2nc(-c3ccc(F)cn3)no2)cc(F)c1,RBSPCALDSNXWEP,RBSPCALDSNXWEP-UHFFFAOYSA-N,"InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H","""AuxInfo=1/0/N:11,10,4,21,18,2,14,3,5,12,19,9,8,6,13,20,1,15,7,16,17/rA:21NCCCCCNCCCCCFCNNOCCFC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s6s16;d5;s18;s19;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999;CHEMBL2167004;CHEMBL2167005;CHEMBL2168314;CHEMBL2168560;CHEMBL2167206,PMID:23046966,2012.0,PMID:23046966,2012,1;0;0;0;1;0,0,0;1;1;1;0;1,0,0,,=,  8.120;  8.420;  8.260;  8.650;  7.580;  8.140,8.195,0.32899999999999996,0.147,6.0,8.2,0.15
-RBUNLEWRPDSPMK_on_P41594_WT,High,ChEMBL30,CHEMBL270612,Cc1cn2cc(C)nc(C#Cc3cnccc3)c2c1,RBUNLEWRPDSPMK,RBUNLEWRPDSPMK-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-12-8-16-15(18-13(2)11-19(16)10-12)6-5-14-4-3-7-17-9-14/h3-4,7-11H,1-2H3","""AuxInfo=1/0/N:1,7,16,17,11,10,15,19,13,3,5,2,6,12,9,18,14,8,4/rA:19CCCNCCCNCCCCCNCCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s4s9;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-RBWKNYANHZHWSB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3634450,Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,RBWKNYANHZHWSB,RBWKNYANHZHWSB-UHFFFAOYSA-N,"InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-15-7-6-12(10-20-15)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,20,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,22,23,26,25,9,2,10,15,14,7,3,4,20,12,8,6,11,5,21,13,24/E:(2,3)(4,5)(13,14)(18,19)(24,25)/rA:26CCCCONCNCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-RBWKNYANHZHWSB_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634450,Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,RBWKNYANHZHWSB,RBWKNYANHZHWSB-UHFFFAOYSA-N,"InChI=1S/C19H13N3O4/c1-11-8-9-26-16(11)17(23)21-15-7-6-12(10-20-15)22-18(24)13-4-2-3-5-14(13)19(22)25/h2-10H,1H3,(H,20,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,22,23,26,25,9,2,10,15,14,7,3,4,20,12,8,6,11,5,21,13,24/E:(2,3)(4,5)(13,14)(18,19)(24,25)/rA:26CCCCONCNCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RBWPBJRIJOEHCN_on_P14867_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-RBWPBJRIJOEHCN_on_P18507_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682253;CHEMBL681641;CHEMBL685339;CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.390;  7.660;  8.340;  7.550,7.735,0.36200000000000004,0.209,4.0,7.605,0.135
-RBWPBJRIJOEHCN_on_P28472_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL681405;CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.660;  7.550;  8.340;  7.390,7.735,0.36200000000000004,0.209,4.0,7.605,0.135
-RBWPBJRIJOEHCN_on_P31644_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-RBWPBJRIJOEHCN_on_P34903_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-RBWPBJRIJOEHCN_on_P47869_WT,Low,ChEMBL30,CHEMBL308077,CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RBWPBJRIJOEHCN,RBWPBJRIJOEHCN-UHFFFAOYSA-N,"InChI=1S/C16H20N2OS2/c1-4-7-20-15-13-10(8-16(2,3)9-12(13)19)14(21-15)11-5-6-17-18-11/h5-6H,4,7-9H2,1-3H3,(H,17,18)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,13,9,14,16,7,6,15,5,10,18,17,8,4,21/E:(2,3)/rA:21CCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-RBWXCWNWUNBVQW_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361358;11663353,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCC(=O)Nc1ccc(-c3n[nH]nn3)cc1)c2,RBWXCWNWUNBVQW,RBWXCWNWUNBVQW-UHFFFAOYSA-N,"InChI=1S/C24H23Cl2N5O3/c1-24(15-4-2-3-5-15)11-14-10-17(20(25)21(26)19(14)22(24)33)34-12-18(32)27-16-8-6-13(7-9-16)23-28-30-31-29-23/h6-10,15H,2-5,11-12H2,1H3,(H,27,32)(H,28,29,30,31)","""AuxInfo=1/1/N:1,5,6,4,7,25,32,24,33,34,8,19,26,9,3,23,17,20,10,15,13,11,27,2,16,14,22,28,31,29,30,21,12,18/E:(2,3)(4,5)(6,7)(8,9)(28,29)(30,31)/rA:34CCCCCCCCCCCOCClCClCOCCONCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s20;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.220;  6.222,6.221,0.001,0.001,2.0,6.221,0.001
-RCAFIHRSMRKZLG_on_P14867_WT,Low,ChEMBL30,CHEMBL298951,CC(C)c1c(O)c(C(C)C)cc(C(=O)c2ccccc2)c1,RCAFIHRSMRKZLG,RCAFIHRSMRKZLG-UHFFFAOYSA-N,"InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,18,17,19,16,20,21,11,2,8,15,12,4,7,13,5,14,6/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:21CCCCCOCCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  5.050;  4.330,4.69,0.36,0.36,2.0,4.69,0.36
-RCAFIHRSMRKZLG_on_P18505_WT,Low,ChEMBL30,CHEMBL298951,CC(C)c1c(O)c(C(C)C)cc(C(=O)c2ccccc2)c1,RCAFIHRSMRKZLG,RCAFIHRSMRKZLG-UHFFFAOYSA-N,"InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,18,17,19,16,20,21,11,2,8,15,12,4,7,13,5,14,6/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:21CCCCCOCCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  5.050;  4.330,4.69,0.36,0.36,2.0,4.69,0.36
-RCAFIHRSMRKZLG_on_P18507_WT,Low,ChEMBL30,CHEMBL298951,CC(C)c1c(O)c(C(C)C)cc(C(=O)c2ccccc2)c1,RCAFIHRSMRKZLG,RCAFIHRSMRKZLG-UHFFFAOYSA-N,"InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,18,17,19,16,20,21,11,2,8,15,12,4,7,13,5,14,6/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:21CCCCCOCCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822800;CHEMBL821856,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.330;  5.050,4.69,0.36,0.36,2.0,4.69,0.36
-RCAGXDZHLDUTOI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104190,CC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,RCAGXDZHLDUTOI,RCAGXDZHLDUTOI-UHFFFAOYSA-N,"InChI=1S/C17H19F3N2O3S/c1-13(2)25-16-7-3-6-15(9-16)22(11-14-5-4-8-21-10-14)26(23,24)12-17(18,19)20/h3-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,7,16,17,8,6,15,26,13,11,21,2,12,9,5,22,23,24,25,14,10,19,20,4,18/E:(1,2)(18,19,20)(23,24)/CRV:26.6/rA:26CCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s10;d18;d18;s18;s21;s22;s22;s22;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-RCCMXKJGURLWPB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL38499,C=C(CC(N)C(=O)O)C(=O)O,RCCMXKJGURLWPB,RCCMXKJGURLWPB-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:d1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-RCCMXKJGURLWPB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL38499,C=C(CC(N)C(=O)O)C(=O)O,RCCMXKJGURLWPB,RCCMXKJGURLWPB-UHFFFAOYSA-N,"InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,3,2,4,9,6,5,10,11,7,8/E:(8,9)(10,11)/rA:11CCCCNCOOCOO/rB:d1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-RCDZSTBIPOCJJF_on_P41594_WT,High,ChEMBL30,CHEMBL196203,CCOc1cccnc1Nc1nc(C(=O)OC)ccc1,RCDZSTBIPOCJJF,RCDZSTBIPOCJJF-UHFFFAOYSA-N,"InChI=1S/C14H15N3O3/c1-3-20-11-7-5-9-15-13(11)17-12-8-4-6-10(16-12)14(18)19-2/h4-9H,3H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,17,2,19,6,18,5,20,7,13,4,11,9,14,8,12,10,15,16,3/rA:20CCOCCCCNCNCNCCOOCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;d11;s12;s13;d14;s14;s16;d13;s18;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-RCEMDNQZNBQTDK_on_O15399_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_O60391_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCEMDNQZNBQTDK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192373,N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,RCEMDNQZNBQTDK,RCEMDNQZNBQTDK-UHFFFAOYSA-N,"InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)","""AuxInfo=1/1/N:7,6,8,5,9,14,16,18,20,12,19,15,13,17,4,2,11,1,3,10/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20NCNCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;s10;s11;s12;s13;s14;s15;s16;s13s17;s11s17;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RCHABAVREUSBQI_on_P18507_WT,Low,ChEMBL30,CHEMBL1077518,COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,RCHABAVREUSBQI,RCHABAVREUSBQI-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:16,24,1,4,5,14,8,12,21,26,15,23,3,13,7,6,22,11,9,25,10,19,17,27,20,2,18/rA:27COCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d11;s9s19;s20;s21;d22;s23;s23;d25;s6s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-RCHABAVREUSBQI_on_P28472_WT,Low,ChEMBL30,CHEMBL1077518,COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,RCHABAVREUSBQI,RCHABAVREUSBQI-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:16,24,1,4,5,14,8,12,21,26,15,23,3,13,7,6,22,11,9,25,10,19,17,27,20,2,18/rA:27COCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d11;s9s19;s20;s21;d22;s23;s23;d25;s6s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-RCHABAVREUSBQI_on_P31644_WT,Low,ChEMBL30,CHEMBL1077518,COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21,RCHABAVREUSBQI,RCHABAVREUSBQI-UHFFFAOYSA-N,"InChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3","""AuxInfo=1/0/N:16,24,1,4,5,14,8,12,21,26,15,23,3,13,7,6,22,11,9,25,10,19,17,27,20,2,18/rA:27COCCCCCCCNCCCCCCNONNCCCCNCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;s11;s12;d13;s14;s15;d15;s13s17;d11;s9s19;s20;s21;d22;s23;s23;d25;s6s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-RCIWECPOSMIWGD_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799832,CCN(Cc1cc(=O)n2c(C(C)O)c(C)sc2n1)c1ccc(F)cc1,RCIWECPOSMIWGD,RCIWECPOSMIWGD-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9,11,23H,4,10H2,1-3H3","""AuxInfo=1/0/N:1,12,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,13,8,16/E:(5,6)(7,8)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RCIWECPOSMIWGD_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799832,CCN(Cc1cc(=O)n2c(C(C)O)c(C)sc2n1)c1ccc(F)cc1,RCIWECPOSMIWGD,RCIWECPOSMIWGD-UHFFFAOYSA-N,"InChI=1S/C18H20FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9,11,23H,4,10H2,1-3H3","""AuxInfo=1/0/N:1,12,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,13,8,16/E:(5,6)(7,8)/rA:25CCNCCCCONCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RCKWDBSHJQKLSK_on_P31644_WT,High,ChEMBL30,CHEMBL3675680,Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(-c3ccc(F)cc3)nnn2C)n1,RCKWDBSHJQKLSK,RCKWDBSHJQKLSK-UHFFFAOYSA-N,"InChI=1S/C21H22FN5O2S/c1-13-20(21(28)24-16-9-11-29-12-10-16)30-18(23-13)8-7-17-19(25-26-27(17)2)14-3-5-15(22)6-4-14/h3-8,16H,9-12H2,1-2H3,(H,24,28)","""AuxInfo=1/1/N:1,29,20,25,21,24,16,15,8,12,9,11,2,19,22,7,17,14,18,3,4,23,30,6,26,27,28,5,10,13/E:(3,4)(5,6)(9,10)(11,12)/rA:30CCCCONCCCOCCSCCCCCCCCCFCCNNNCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;s13;s14;w?15;s16;d17;s18;d19;s20;d21;s22;s22;s19d24;s18;d26;s17s27;s28;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-RCNPMPFRYJOVFT_on_P41594_WT,High,ChEMBL30,CHEMBL3702436,Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)o1,RCNPMPFRYJOVFT,RCNPMPFRYJOVFT-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,28,3,17,27,21,2,24,11,10,6,23,29,19,15,5,18,4,22,20,14,16,30/E:(5,6)/rA:30CCCNCCCCCCCCCNCOCNCNCNCCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-RCOGMGFFZKIOTH_on_O15303_WT,High,ChEMBL30,CHEMBL566754,CCOC(=O)c1c(N=NN2CCOCC2)sc(-c2ccccc2)c1C,RCOGMGFFZKIOTH,RCOGMGFFZKIOTH-UHFFFAOYSA-N,"InChI=1S/C18H21N3O3S/c1-3-24-18(22)15-13(2)16(14-7-5-4-6-8-14)25-17(15)19-20-21-9-11-23-12-10-21/h4-8H,3,9-12H2,1-2H3","""AuxInfo=1/0/N:1,25,2,21,20,22,19,23,11,15,12,14,24,18,6,17,7,4,8,9,10,5,13,3,16/E:(5,6)(7,8)(9,10)(11,12)/rA:25CCOCOCCNNNCCOCCSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;w?8;s9;s10;s11;s12;s13;s10s14;s7;s16;s17;d18;s19;d20;s21;s18d22;s6d17;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.270,4.27,0.0,0.0,1.0,4.27,0.0
-RCOPFJSNIYGOMZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL65245,CC(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,RCOPFJSNIYGOMZ,RCOPFJSNIYGOMZ-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,22,21,23,20,24,15,26,10,16,25,9,13,6,2,14,5,19,17,8,7,12,4,11,27,3,18/E:(3,4)(5,6)(7,8)(10,11)/rA:27CCONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;s7d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  7.030;  7.380,7.205,0.175,0.175,2.0,7.205,0.175
-RCOPFJSNIYGOMZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL65245,CC(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,RCOPFJSNIYGOMZ,RCOPFJSNIYGOMZ-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,22,21,23,20,24,15,26,10,16,25,9,13,6,2,14,5,19,17,8,7,12,4,11,27,3,18/E:(3,4)(5,6)(7,8)(10,11)/rA:27CCONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;s7d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  7.030;  7.380,7.205,0.175,0.175,2.0,7.205,0.175
-RCPDOEFGDWHVCA_on_P14867_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-RCPDOEFGDWHVCA_on_P18507_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680672;CHEMBL680434;CHEMBL677036;CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.120;  7.380;  7.200;  7.200,7.475,0.38,0.21899999999999997,4.0,7.29,0.09
-RCPDOEFGDWHVCA_on_P28472_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680672;CHEMBL680434;CHEMBL682711;CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.120;  7.380;  7.200;  7.200,7.475,0.38,0.21899999999999997,4.0,7.29,0.09
-RCPDOEFGDWHVCA_on_P31644_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-RCPDOEFGDWHVCA_on_P34903_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-RCPDOEFGDWHVCA_on_P47869_WT,Low,ChEMBL30,CHEMBL95724,CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1,RCPDOEFGDWHVCA,RCPDOEFGDWHVCA-UHFFFAOYSA-N,"InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3","""AuxInfo=1/0/N:9,1,17,16,18,19,20,15,10,7,8,12,11,13,5,3,4,14,6,2/rA:20CSCCCOCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4s10;d11;s12;d13;s14;d15;s16;s13d17;s12;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-RCPJEEYBQUXJHG_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628103,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(-c2ccccc2)o1,RCPJEEYBQUXJHG,RCPJEEYBQUXJHG-UHFFFAOYSA-N,"InChI=1S/C25H15ClN2O4/c26-19-14-16(27-23(29)22-13-12-21(32-22)15-6-2-1-3-7-15)10-11-20(19)28-24(30)17-8-4-5-9-18(17)25(28)31/h1-14H,(H,27,29)","""AuxInfo=1/1/N:29,28,30,14,15,27,31,13,16,5,6,24,23,21,26,4,12,11,19,7,25,22,2,17,9,20,3,8,1,18,10,32/E:(2,3)(4,5)(6,7)(8,9)(17,18)(24,25)(30,31)/rA:32OCNCCCCNCOCCCCCCCOCClCCCCCCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;d26;s27;d28;s29;s26d30;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-RCTCXCNGQBTQMS_on_P41594_WT,High,ChEMBL30,CHEMBL2338597,O=C(NC1CCCC(NC(=O)c2ncccc2)C1)c1ccccn1,RCTCXCNGQBTQMS,RCTCXCNGQBTQMS-UHFFFAOYSA-N,"InChI=1S/C18H20N4O2/c23-17(15-8-1-3-10-19-15)21-13-6-5-7-14(12-13)22-18(24)16-9-2-4-11-20-16/h1-4,8-11,13-14H,5-7,12H2,(H,21,23)(H,22,24)","""AuxInfo=1/1/N:16,21,15,22,6,7,5,17,20,14,23,18,8,4,12,19,10,2,13,24,9,3,11,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24OCNCCCCCNCOCNCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s4s8;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-RCVJKKYLQNAHPL_on_P41594_WT,Low,ChEMBL30,CHEMBL399309,Cc1nc2c(cnn2-c2cc(Cl)ccc2)c(=O)n1-c1ccc(Cl)cc1,RCVJKKYLQNAHPL,RCVJKKYLQNAHPL-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2N4O/c1-11-22-17-16(10-21-24(17)15-4-2-3-13(20)9-15)18(25)23(11)14-7-5-12(19)6-8-14/h2-10H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,24,20,25,10,6,2,22,11,19,9,5,4,16,23,12,7,3,18,8,17/E:(5,6)(7,8)/rA:25CCNCCCNNCCCClCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;s11;d11;s13;s9d14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RCVJKKYLQNAHPL_on_Q13255_WT,High,ChEMBL30,CHEMBL399309,Cc1nc2c(cnn2-c2cc(Cl)ccc2)c(=O)n1-c1ccc(Cl)cc1,RCVJKKYLQNAHPL,RCVJKKYLQNAHPL-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2N4O/c1-11-22-17-16(10-21-24(17)15-4-2-3-13(20)9-15)18(25)23(11)14-7-5-12(19)6-8-14/h2-10H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,24,20,25,10,6,2,22,11,19,9,5,4,16,23,12,7,3,18,8,17/E:(5,6)(7,8)/rA:25CCNCCCNNCCCClCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;s11;d11;s13;s9d14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-RCXFRPBTARZSST_on_P31644_WT,High,ChEMBL30,CHEMBL3686279,NC(=O)c1ccc(CC(O)OCc2conc2-c2ccc(F)cn2)nc1,RCXFRPBTARZSST,RCXFRPBTARZSST-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O4/c18-12-2-4-14(21-7-12)16-11(9-26-22-16)8-25-15(23)5-13-3-1-10(6-20-13)17(19)24/h1-4,6-7,9,15,23H,5,8H2,(H2,19,24)","""AuxInfo=1/1/N:5,20,6,19,8,26,23,12,14,4,13,21,7,18,9,17,2,22,1,25,24,16,10,3,11,15/rA:26NCOCCCCCCOOCCCONCCCCCFCNNC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s9;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s7;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.670,7.67,0.0,0.0,1.0,7.67,0.0
-RCYWAXIDQNVCBO_on_Q05586_WT,Low,ChEMBL30,CHEMBL401688,CC(C(=O)c1ccc(NC(=O)CCl)cc1)N1CCC(Cc2ccccc2)CC1,RCYWAXIDQNVCBO,RCYWAXIDQNVCBO-UHFFFAOYSA-N,"InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,23,25,22,26,6,15,7,14,18,27,17,28,20,12,2,21,19,5,8,10,3,13,9,16,11,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28CCCOCCCCNCOCClCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s10;s12;s8;s5d14;s2;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL929340;CHEMBL933581,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  3.638;  4.850,4.244,0.606,0.606,2.0,4.244,0.606
-RCYWAXIDQNVCBO_on_Q12879_WT,Low,ChEMBL30,CHEMBL401688,CC(C(=O)c1ccc(NC(=O)CCl)cc1)N1CCC(Cc2ccccc2)CC1,RCYWAXIDQNVCBO,RCYWAXIDQNVCBO-UHFFFAOYSA-N,"InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,23,25,22,26,6,15,7,14,18,27,17,28,20,12,2,21,19,5,8,10,3,13,9,16,11,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28CCCOCCCCNCOCClCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s10;s12;s8;s5d14;s2;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL933583,PMID:18434149,2008.0,PMID:18434149,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RCYWAXIDQNVCBO_on_Q13224_WT,Low,ChEMBL30,CHEMBL401688,CC(C(=O)c1ccc(NC(=O)CCl)cc1)N1CCC(Cc2ccccc2)CC1,RCYWAXIDQNVCBO,RCYWAXIDQNVCBO-UHFFFAOYSA-N,"InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,23,25,22,26,6,15,7,14,18,27,17,28,20,12,2,21,19,5,8,10,3,13,9,16,11,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28CCCOCCCCNCOCClCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s10;s12;s8;s5d14;s2;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL929340;CHEMBL933581,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  3.638;  4.850,4.244,0.606,0.606,2.0,4.244,0.606
-RCZMTZGAJGJJDL_on_P18507_WT,Low,ChEMBL30,CHEMBL1078299,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(F)c4)-n3cn2)no1,RCZMTZGAJGJJDL,RCZMTZGAJGJJDL-UHFFFAOYSA-N,"InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,16,15,19,7,10,21,2,17,13,14,6,5,4,12,18,11,22,9,3,23,20,8,24/rA:24CCNCCCCNNCNCCCCCCFCNCNNO/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-RCZMTZGAJGJJDL_on_P28472_WT,Low,ChEMBL30,CHEMBL1078299,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(F)c4)-n3cn2)no1,RCZMTZGAJGJJDL,RCZMTZGAJGJJDL-UHFFFAOYSA-N,"InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,16,15,19,7,10,21,2,17,13,14,6,5,4,12,18,11,22,9,3,23,20,8,24/rA:24CCNCCCCNNCNCCCCCCFCNCNNO/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-RCZMTZGAJGJJDL_on_P31644_WT,Low,ChEMBL30,CHEMBL1078299,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(F)c4)-n3cn2)no1,RCZMTZGAJGJJDL,RCZMTZGAJGJJDL-UHFFFAOYSA-N,"InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,16,15,19,7,10,21,2,17,13,14,6,5,4,12,18,11,22,9,3,23,20,8,24/rA:24CCNCCCCNNCNCCCCCCFCNCNNO/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-RDJRKNCBQNQFDB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111952,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)c1,RDJRKNCBQNQFDB,RDJRKNCBQNQFDB-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-8-16(4-5-20(13)32-23(25,26)27)22-29-21(17-9-14(2)28-18(10-17)11-24)19-6-7-31-15(3)12-30(19)22/h4-5,8-10,15H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:29,1,15,20,21,11,12,30,32,7,5,16,28,2,14,19,8,4,10,22,9,18,24,6,25,26,27,3,31,17,13,23/E:(25,26,27)/rA:32CCNCCFCCCCCCOCCCNCCCCCOCFFFCCCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s28;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-RDLSKDOSNKLEAQ_on_P41594_WT,High,ChEMBL30,CHEMBL3122212,Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12,RDLSKDOSNKLEAQ,RDLSKDOSNKLEAQ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,11,19,20,18,3,21,4,6,23,16,2,17,7,14,8,25,12,5,22,24,13,9,10,15/rA:25CCCCNCCCNNCCNCOCCCCCCNCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s23;s8s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-RDLSKDOSNKLEAQ_on_Q13255_WT,High,ChEMBL30,CHEMBL3122212,Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12,RDLSKDOSNKLEAQ,RDLSKDOSNKLEAQ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,11,19,20,18,3,21,4,6,23,16,2,17,7,14,8,25,12,5,22,24,13,9,10,15/rA:25CCCCNCCCNNCCNCOCCCCCCNCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s23;s8s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-RDMPICBUYGOIPW_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647555,CCn1cnc2c1nncc2-c1ccc(Cl)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1,RDMPICBUYGOIPW,RDMPICBUYGOIPW-UHFFFAOYSA-N,"InChI=1S/C22H21ClN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,26,30,2,25,13,20,19,14,31,27,10,4,12,21,18,17,11,15,28,6,7,16,5,9,8,3,23,24,29,22/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCClCCCCCSOOCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s28;s29;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-RDMWWTOMSYTLOT_on_P14867_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-RDMWWTOMSYTLOT_on_P18507_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL682253;CHEMBL681641;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.360;  7.060;  7.140;  8.410,7.492000000000001,0.541,0.312,4.0,7.25,0.15
-RDMWWTOMSYTLOT_on_P28472_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339;CHEMBL682253;CHEMBL681405;CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.410;  7.060;  7.360;  7.140,7.492000000000001,0.541,0.312,4.0,7.25,0.15
-RDMWWTOMSYTLOT_on_P31644_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-RDMWWTOMSYTLOT_on_P34903_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-RDMWWTOMSYTLOT_on_P47869_WT,Low,ChEMBL30,CHEMBL312118,CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDMWWTOMSYTLOT,RDMWWTOMSYTLOT-UHFFFAOYSA-N,"InChI=1S/C16H21N3OS/c1-9(2)18-15-13-10(7-16(3,4)8-12(13)20)14(21-15)11-5-6-17-19-11/h5-6,9,18H,7-8H2,1-4H3,(H,17,19)","""AuxInfo=1/1/N:1,3,11,12,20,19,13,9,2,14,16,7,6,15,5,10,18,4,17,8,21/E:(1,2)(3,4)/rA:21CCCNCCCOCCCCCCCCNNCCS/rB:s1;s2;s2;s4;d5;s6;d7;s7;s9;s10;s10;s10;s6s13;d14;s15;d16;s17;s18;s16d19;s5s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-RDNQZFSDTJMHLT_on_Q14416_WT,High,ChEMBL30,CHEMBL3885353,FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12,RDNQZFSDTJMHLT,RDNQZFSDTJMHLT-UHFFFAOYSA-N,"InChI=1S/C18H16F3N3O/c19-18(20,21)16-14(25-11-13-4-2-1-3-5-13)8-9-24-15(10-12-6-7-12)22-23-17(16)24/h1-5,8-9,12H,6-7,10-11H2","""AuxInfo=1/0/N:12,11,13,10,14,21,22,15,16,19,8,20,9,6,18,5,25,2,1,3,4,23,24,17,7/E:(2,3)(4,5)(6,7)(19,20,21)/rA:25FCFFCCOCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;d15;s16;s17;s18;s19;s20;s20s21;d18;s23;s5s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529;CHEMBL3876528,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.550;  7.550,7.55,0.0,0.0,2.0,7.55,0.0
-RDOPLLYKNYTVRU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3971844,CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)C1,RDOPLLYKNYTVRU,RDOPLLYKNYTVRU-UHFFFAOYSA-N,"InChI=1S/C20H19ClN2O/c1-20(2)10-11-23(19(24)13-20)18-9-8-16(14-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12,14H,10-11,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,9,8,4,5,19,24,20,13,10,17,7,22,2,18,21,6,23/E:(1,2)/rA:24CCCCCNCCCCCCCCCCCClCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-RDPNIWXBEYDORQ_on_P41594_WT,High,ChEMBL30,CHEMBL3603914,N#Cc1cc(Cl)cc(-c2cc(-n3cccn3)ncn2)c1,RDPNIWXBEYDORQ,RDPNIWXBEYDORQ-UHFFFAOYSA-N,"InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H","""AuxInfo=1/0/N:14,15,13,20,4,7,10,2,18,3,8,5,9,11,6,1,19,17,16,12/rA:20NCCCCClCCCCCNCCCNNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;d13;s14;s12d15;d11;s17;s9d18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4320878;CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:30807144;PMID:26225459;PMID:26225459,2019;2015;2015,1;1;0,0,0,0;0;1,0,,=,  8.400;  8.300;  8.400,8.367,0.047,0.033,3.0,8.4,0.0
-RDTNMKBRGQQHLS_on_P41594_WT,High,ChEMBL30,CHEMBL1682827,O=C1CCOc2c1ccc(COc1ccccc1)n2,RDTNMKBRGQQHLS,RDTNMKBRGQQHLS-UHFFFAOYSA-N,"InChI=1S/C15H13NO3/c17-14-8-9-18-15-13(14)7-6-11(16-15)10-19-12-4-2-1-3-5-12/h1-7H,8-10H2","""AuxInfo=1/0/N:16,15,17,14,18,9,8,3,4,11,10,13,7,2,6,19,1,5,12/E:(2,3)(4,5)/rA:19OCCCOCCCCCCOCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.340;  6.340,6.34,0.0,0.0,2.0,6.34,0.0
-RDTOXUOEIJUIMX_on_Q05586_WT,Medium,ChEMBL30,CHEMBL82963,CC(NCc1c2nc(O)c(O)nc2cc(C(F)(F)F)c1)P(=O)(O)O,RDTOXUOEIJUIMX,RDTOXUOEIJUIMX-UHFFFAOYSA-N,"InChI=1S/C12H13F3N3O5P/c1-5(24(21,22)23)16-4-6-2-7(12(13,14)15)3-8-9(6)18-11(20)10(19)17-8/h2-3,5,16H,4H2,1H3,(H,17,19)(H,18,20)(H2,21,22,23)","""AuxInfo=1/1/N:1,20,14,4,2,5,15,13,6,10,8,16,17,18,19,3,12,7,11,9,22,23,24,21/E:(13,14,15)(21,22,23)/rA:24CCNCCCNCOCONCCCCFFFCPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;s16;s16;s16;s5d15;s2;d21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-RDUGGSFEUGIIBT_on_P14867_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-RDUGGSFEUGIIBT_on_P18507_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339;CHEMBL681641;CHEMBL682253;CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.750;  7.240;  6.740;  6.740,7.117000000000001,0.418,0.242,4.0,6.99,0.25
-RDUGGSFEUGIIBT_on_P28472_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681405;CHEMBL681641;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.740;  6.740;  7.240;  7.750,7.117999999999999,0.418,0.242,4.0,6.99,0.25
-RDUGGSFEUGIIBT_on_P31644_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-RDUGGSFEUGIIBT_on_P34903_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RDUGGSFEUGIIBT_on_P47869_WT,Low,ChEMBL30,CHEMBL70812,CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,RDUGGSFEUGIIBT,RDUGGSFEUGIIBT-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-4-5-8-21-16-14-11(9-17(2,3)10-13(14)20)15(22-16)12-6-7-18-19-12/h6-7H,4-5,8-10H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,12,13,2,3,21,20,4,14,10,15,17,8,7,16,6,11,19,18,9,5,22/E:(2,3)/rA:22CCCCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;s11;s11;s7s14;d15;s16;d17;s18;s19;s17d20;s6s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RDWYMSJSJZRVKI_on_O15399_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_O60391_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_Q05586_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_Q12879_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_Q13224_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDWYMSJSJZRVKI_on_Q14957_WT,Low,ChEMBL30,CHEMBL41501,Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1,RDWYMSJSJZRVKI,RDWYMSJSJZRVKI-UHFFFAOYSA-N,"InChI=1S/C20H14N2O3/c23-19-16-9-10-21-12-17(16)22-20(24)18(19)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H2,22,23,24)","""AuxInfo=1/1/N:20,19,21,24,25,18,22,23,6,7,14,9,13,17,15,5,4,12,10,2,8,3,11,1,16/E:(2,3)(6,7)/rA:25OCNCCCCNCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-RDYMFSUJUZBWLH_on_P14867_WT,Low,ChEMBL30,CHEMBL1890408,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,RDYMFSUJUZBWLH,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2","""AuxInfo=1/0/N:4,7,5,6,13,11,15,9,17,14,12,16,10,18,19,1,3,8,2/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:19OSOCCCCOCClCClCClCClCClCl/rB:d1;s2;s3;s4;s5;s6;s2s7;s6;s9;s9;s11;w?11;s13;s5s13;s15;s9s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3073011;CHEMBL3073012;CHEMBL3073009;CHEMBL3073010,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  7.800;  8.080;  6.930;  7.400,7.5520000000000005,0.433,0.25,4.0,7.6,0.34
-RDYMFSUJUZBWLH_on_P18505_WT,Low,ChEMBL30,CHEMBL1890408,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,RDYMFSUJUZBWLH,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2","""AuxInfo=1/0/N:4,7,5,6,13,11,15,9,17,14,12,16,10,18,19,1,3,8,2/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:19OSOCCCCOCClCClCClCClCClCl/rB:d1;s2;s3;s4;s5;s6;s2s7;s6;s9;s9;s11;w?11;s13;s5s13;s15;s9s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3073009;CHEMBL3073010,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  6.930;  7.400,7.165,0.235,0.235,2.0,7.165,0.235
-RDYMFSUJUZBWLH_on_P18507_WT,Low,ChEMBL30,CHEMBL1890408,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,RDYMFSUJUZBWLH,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2","""AuxInfo=1/0/N:4,7,5,6,13,11,15,9,17,14,12,16,10,18,19,1,3,8,2/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:19OSOCCCCOCClCClCClCClCClCl/rB:d1;s2;s3;s4;s5;s6;s2s7;s6;s9;s9;s11;w?11;s13;s5s13;s15;s9s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3073010;CHEMBL3073011;CHEMBL3073470,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  7.400;  7.800;  8.340,7.847,0.385,0.272,3.0,7.8,0.4
-RDYMFSUJUZBWLH_on_P28472_WT,High,ChEMBL30,CHEMBL1890408,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,RDYMFSUJUZBWLH,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2","""AuxInfo=1/0/N:4,7,5,6,13,11,15,9,17,14,12,16,10,18,19,1,3,8,2/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:19OSOCCCCOCClCClCClCClCClCl/rB:d1;s2;s3;s4;s5;s6;s2s7;s6;s9;s9;s11;w?11;s13;s5s13;s15;s9s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3073472,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  9.330,9.33,0.0,0.0,1.0,9.33,0.0
-RDYMFSUJUZBWLH_on_Q16445_WT,Low,ChEMBL30,CHEMBL1890408,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,RDYMFSUJUZBWLH,RDYMFSUJUZBWLH-UHFFFAOYSA-N,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2","""AuxInfo=1/0/N:4,7,5,6,13,11,15,9,17,14,12,16,10,18,19,1,3,8,2/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:19OSOCCCCOCClCClCClCClCClCl/rB:d1;s2;s3;s4;s5;s6;s2s7;s6;s9;s9;s11;w?11;s13;s5s13;s15;s9s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3073470;CHEMBL3073471,DOI:10.1584/jpestics.R07-07,2008.0,DOI:10.1584/jpestics.R07-07,2008,1,0,0,0,0,,=,  8.340;  8.400,8.37,0.03,0.03,2.0,8.37,0.03
-RDYYIBJARKPHCO_on_P41594_WT,High,ChEMBL30,CHEMBL3702466,COC(C)c1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1,RDYYIBJARKPHCO,RDYYIBJARKPHCO-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-22-16(7-8-27(19)21(28)10-24-20)15(14-3-4-14)5-6-17(22)23/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3","""AuxInfo=1/0/N:4,1,26,27,23,22,15,14,19,10,6,28,3,25,24,16,20,5,18,8,11,17,21,9,29,7,13,12,2/E:(3,4)/rA:29COCCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s13s17;s8w?18;s17;s20;d20;s22;s16d23;s24;s25;s25s26;s7;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-RDYYIBJARKPHCO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702466,COC(C)c1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1,RDYYIBJARKPHCO,RDYYIBJARKPHCO-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-22-16(7-8-27(19)21(28)10-24-20)15(14-3-4-14)5-6-17(22)23/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3","""AuxInfo=1/0/N:4,1,26,27,23,22,15,14,19,10,6,28,3,25,24,16,20,5,18,8,11,17,21,9,29,7,13,12,2/E:(3,4)/rA:29COCCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s13s17;s8w?18;s17;s20;d20;s22;s16d23;s24;s25;s25s26;s7;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.490,5.49,0.0,0.0,1.0,5.49,0.0
-REEDXIZQVOCVDO_on_P41594_WT,High,ChEMBL30,CHEMBL3694791,CN(c1cncnc1)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1F,REEDXIZQVOCVDO,REEDXIZQVOCVDO-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN5O/c1-24(12-8-20-10-21-9-12)14-7-11(5-6-13(14)19)17(25)23-16-4-2-3-15(18)22-16/h2-10H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,17,18,16,22,23,10,4,8,6,11,3,24,9,19,15,12,20,25,5,7,21,14,2,13/E:(8,9)(20,21)/rA:25CNCCNCNCCCCCONCCCCCClNCCCF/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s19;s15d19;d11;s22;s9d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-REEMCNVFTXZLSO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,67425268;CHEMBL2364958,CC1CC1C(=O)Nc1c(-c2cccc(C3CC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,REEMCNVFTXZLSO,REEMCNVFTXZLSO-UHFFFAOYSA-N,"InChI=1S/C24H23N5OS/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30)","""AuxInfo=1/1/N:1,25,12,13,11,16,17,29,28,3,21,23,2,15,20,22,4,14,27,10,9,19,5,8,18,7,26,30,24,6,31/E:(6,7)/rA:31CCCCCONCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15s16;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:23374867,2013.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  7.523;  7.520,7.521,0.002,0.002,2.0,7.521,0.002
-REEMCNVFTXZLSO_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67425268;CHEMBL2364958,CC1CC1C(=O)Nc1c(-c2cccc(C3CC3)n2)c(-c2cc3cn(C)nc3cc2)ns1,REEMCNVFTXZLSO,REEMCNVFTXZLSO-UHFFFAOYSA-N,"InChI=1S/C24H23N5OS/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30)","""AuxInfo=1/1/N:1,25,12,13,11,16,17,29,28,3,21,23,2,15,20,22,4,14,27,10,9,19,5,8,18,7,26,30,24,6,31/E:(6,7)/rA:31CCCCCONCCCCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15s16;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  6.134;  6.130,6.132000000000001,0.002,0.002,2.0,6.132000000000001,0.002
-REIBFVQWHJNVNT_on_P14867_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-REIBFVQWHJNVNT_on_P18507_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.470;  7.520;  6.850,7.6129999999999995,0.665,0.47,3.0,7.52,0.67
-REIBFVQWHJNVNT_on_P28472_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.520;  8.470;  6.850,7.6129999999999995,0.665,0.47,3.0,7.52,0.67
-REIBFVQWHJNVNT_on_P31644_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-REIBFVQWHJNVNT_on_P34903_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-REIBFVQWHJNVNT_on_Q16445_WT,Low,ChEMBL30,CHEMBL173219,COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1,REIBFVQWHJNVNT,REIBFVQWHJNVNT-UHFFFAOYSA-N,"InChI=1S/C14H9N3O2S/c1-19-14(18)12-5-10-9-4-8(20-7-15)2-3-11(9)17-13(10)6-16-12/h2-6,17H,1H3","""AuxInfo=1/0/N:1,17,18,12,20,7,15,13,11,19,10,5,8,3,16,6,9,4,2,14/rA:20COCOCNCCNCCCCSCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;t15;s13;s10d17;s8s11;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RELAUZJYSYSZPY_on_Q05586_WT,Low,ChEMBL30,CHEMBL4065052,C=CC1CN(CCCCc2ccccc2)CCc2c1cc(OC)cc2,RELAUZJYSYSZPY,RELAUZJYSYSZPY-UHFFFAOYSA-N,"InChI=1S/C23H29NO/c1-3-20-18-24(15-8-7-11-19-9-5-4-6-10-19)16-14-21-12-13-22(25-2)17-23(20)21/h3-6,9-10,12-13,17,20H,1,7-8,11,14-16,18H2,2H3","""AuxInfo=1/0/N:1,23,2,13,12,14,8,7,11,15,9,25,24,17,6,16,20,4,10,3,18,21,19,5,22/E:(5,6)(9,10)/rA:25CCCCNCCCCCCCCCCCCCCCCOCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;s17;s3d18;s19;d20;s21;s22;s21;s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RELAUZJYSYSZPY_on_Q13224_WT,Low,ChEMBL30,CHEMBL4065052,C=CC1CN(CCCCc2ccccc2)CCc2c1cc(OC)cc2,RELAUZJYSYSZPY,RELAUZJYSYSZPY-UHFFFAOYSA-N,"InChI=1S/C23H29NO/c1-3-20-18-24(15-8-7-11-19-9-5-4-6-10-19)16-14-21-12-13-22(25-2)17-23(20)21/h3-6,9-10,12-13,17,20H,1,7-8,11,14-16,18H2,2H3","""AuxInfo=1/0/N:1,23,2,13,12,14,8,7,11,15,9,25,24,17,6,16,20,4,10,3,18,21,19,5,22/E:(5,6)(9,10)/rA:25CCCCNCCCCCCCCCCCCCCCCOCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;s17;s3d18;s19;d20;s21;s22;s21;s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RELKUIIVWKRWEL_on_P14867_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.890;  7.890,7.89,0.0,0.0,2.0,7.89,0.0
-RELKUIIVWKRWEL_on_P18507_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL823916;CHEMBL685338;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL681480;CHEMBL678329;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039,2000;2000;1998;1998;1998;1998;1998;2000;2000;2000,0,0,0,1,0,,=,  7.300;  7.520;  7.520;  8.460;  7.650;  7.890;  7.300;  8.460;  7.890;  7.650,7.763999999999999,0.397,0.132,10.0,7.65,0.24
-RELKUIIVWKRWEL_on_P28472_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL678329;CHEMBL683045;CHEMBL823916;CHEMBL683047;CHEMBL685338;CHEMBL824296;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.520;  7.300;  8.460;  7.890;  7.650;  7.520;  7.650;  8.460;  7.300;  7.890,7.763999999999999,0.397,0.132,10.0,7.65,0.24
-RELKUIIVWKRWEL_on_P31644_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.460;  8.460,8.46,0.0,0.0,2.0,8.46,0.0
-RELKUIIVWKRWEL_on_P34903_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.520;  7.520,7.52,0.0,0.0,2.0,7.52,0.0
-RELKUIIVWKRWEL_on_P47869_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.300;  7.300,7.3,0.0,0.0,2.0,7.3,0.0
-RELKUIIVWKRWEL_on_Q16445_WT,Low,ChEMBL30,CHEMBL7290,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O,RELKUIIVWKRWEL,RELKUIIVWKRWEL-UHFFFAOYSA-N,"InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,2,15,20,26,7,21,22,8/E:(1,2,3)(24,25)/CRV:21.5/rA:26CNCCCCOOCCCCNCNCCCCN+OO-CCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.650;  7.650,7.65,0.0,0.0,2.0,7.65,0.0
-RELVPCCGNHCTRU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684106,O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CC1CCC1,RELVPCCGNHCTRU,RELVPCCGNHCTRU-UHFFFAOYSA-N,"InChI=1S/C22H21NO/c24-22-21-12-11-18(10-9-17-5-2-1-3-6-17)15-20(21)13-14-23(22)16-19-7-4-8-19/h1-3,5-6,11-12,15,19H,4,7-8,13-14,16H2","""AuxInfo=1/0/N:12,11,13,23,10,14,22,24,8,7,15,16,17,18,5,20,9,6,21,4,3,2,19,1/E:(2,3)(5,6)(7,8)/rA:24OCCCCCCCCCCCCCCCCCNCCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;s17;s2s18;s19;s20;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-REMWNWPUZRLBMA_on_O15399_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_O60391_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REMWNWPUZRLBMA_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192582,N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3,REMWNWPUZRLBMA,REMWNWPUZRLBMA-UHFFFAOYSA-N,"InChI=1S/C21H33N3/c22-21(23-19-15-3-11-1-12(5-15)6-16(19)4-11)24-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2,(H3,22,23,24)","""AuxInfo=1/1/N:8,19,6,13,10,11,17,24,21,22,7,9,18,20,5,12,16,23,4,15,2,1,3,14/E:(1,2)(3,4,5,6,7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s4s11;s7s12;s2;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-REPJMGVQZUBMEG_on_P14867_WT,Medium,ChEMBL30,CHEMBL358874,Oc1nc2c(CN(Cc3c[nH]cn3)CC2)c2nc(-c3c(F)cccc3)cn12,REPJMGVQZUBMEG,REPJMGVQZUBMEG-UHFFFAOYSA-N,"InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)","""AuxInfo=1/1/N:24,23,25,22,15,14,10,8,6,26,12,9,19,5,20,4,18,16,2,21,11,13,17,3,7,27,1/rA:27OCNCCCNCCCNCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s9d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-REPJMGVQZUBMEG_on_P31644_WT,Medium,ChEMBL30,CHEMBL358874,Oc1nc2c(CN(Cc3c[nH]cn3)CC2)c2nc(-c3c(F)cccc3)cn12,REPJMGVQZUBMEG,REPJMGVQZUBMEG-UHFFFAOYSA-N,"InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)","""AuxInfo=1/1/N:24,23,25,22,15,14,10,8,6,26,12,9,19,5,20,4,18,16,2,21,11,13,17,3,7,27,1/rA:27OCNCCCNCCCNCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s9d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-REPJMGVQZUBMEG_on_P34903_WT,Medium,ChEMBL30,CHEMBL358874,Oc1nc2c(CN(Cc3c[nH]cn3)CC2)c2nc(-c3c(F)cccc3)cn12,REPJMGVQZUBMEG,REPJMGVQZUBMEG-UHFFFAOYSA-N,"InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)","""AuxInfo=1/1/N:24,23,25,22,15,14,10,8,6,26,12,9,19,5,20,4,18,16,2,21,11,13,17,3,7,27,1/rA:27OCNCCCNCCCNCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s9d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-REPJMGVQZUBMEG_on_P47869_WT,Medium,ChEMBL30,CHEMBL358874,Oc1nc2c(CN(Cc3c[nH]cn3)CC2)c2nc(-c3c(F)cccc3)cn12,REPJMGVQZUBMEG,REPJMGVQZUBMEG-UHFFFAOYSA-N,"InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)","""AuxInfo=1/1/N:24,23,25,22,15,14,10,8,6,26,12,9,19,5,20,4,18,16,2,21,11,13,17,3,7,27,1/rA:27OCNCCCNCCCNCNCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s9d12;s7;s4s14;s5;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s2s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-RERNKQAQMDCDAT_on_P31644_WT,High,ChEMBL30,CHEMBL3676449,Cc1c(CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(F)cc2)no1,RERNKQAQMDCDAT,RERNKQAQMDCDAT-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O4S/c1-14-18(20(25-30-14)15-2-5-17(22)6-3-15)13-24-19-7-4-16(12-23-19)21(27)26-8-10-31(28,29)11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,5,30,12,11,16,17,31,15/E:(2,3)(5,6)(8,9)(10,11)(28,29)/CRV:31.6/rA:31CCCCNCCCCCONCCSOOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-RESDFTYHVKYNOW_on_Q14416_WT,High,ChEMBL30,CHEMBL371578,CCCc1c2ccn(CC(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,RESDFTYHVKYNOW,RESDFTYHVKYNOW-UHFFFAOYSA-N,"InChI=1S/C26H33N5O2/c1-4-7-23-22-14-15-31(18-19(2)3)24(22)12-13-25(23)33-17-6-5-16-32-21-10-8-20(9-11-21)26-27-29-30-28-26/h8-15,19H,4-7,16-18H2,1-3H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,11,12,2,20,19,3,25,32,24,33,14,15,6,7,21,18,9,10,26,23,5,4,13,16,27,28,31,29,30,8,22,17/E:(2,3)(8,9)(10,11)(27,28)(29,30)/rA:33CCCCCCCNCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s5s8;d13;s14;s4d15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-RESHTYCQJVKIMQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL63093,C(#Cc1cscn1)c1ccccc1,RESHTYCQJVKIMQ,RESHTYCQJVKIMQ-UHFFFAOYSA-N,"InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-8-13-9-12-11/h1-5,8-9H","""AuxInfo=1/0/N:11,10,12,9,13,1,2,4,6,8,3,7,5/E:(2,3)(4,5)/rA:13CCCCSCNCCCCCC/rB:t1;s2;d3;s4;s5;s3d6;s1;d8;s9;d10;s11;s8d12;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711709,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-RESJIAYMMAZOQG_on_P31644_WT,High,ChEMBL30,CHEMBL3676513,Cc1c(COc2cc(C(F)(F)F)c(C(=O)NC3CCOCC3)cn2)c(-c2ccccc2)no1,RESJIAYMMAZOQG,RESJIAYMMAZOQG-UHFFFAOYSA-N,"InChI=1S/C23H22F3N3O4/c1-14-18(21(29-33-14)15-5-3-2-4-6-15)13-32-20-11-19(23(24,25)26)17(12-27-20)22(30)28-16-7-9-31-10-8-16/h2-6,11-12,16H,7-10,13H2,1H3,(H,28,30)","""AuxInfo=1/1/N:1,29,28,30,27,31,18,22,19,21,7,23,4,2,26,17,13,3,8,6,25,14,9,10,11,12,24,16,32,15,20,5,33/E:(3,4)(5,6)(7,8)(9,10)(24,25,26)/rA:33CCCCOCCCCFFFCCONCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9;s9;d8;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s13;s6d23;s3;s25;d26;s27;d28;s29;s26d30;d25;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-REXAJLIECSMHRB_on_P31644_WT,High,ChEMBL30,CHEMBL3676452,Cc1c(CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(C2CCCCN2)no1,REXAJLIECSMHRB,REXAJLIECSMHRB-UHFFFAOYSA-N,"InChI=1S/C20H27N5O4S/c1-14-16(19(24-29-14)17-4-2-3-7-21-17)13-23-18-6-5-15(12-22-18)20(26)25-8-10-30(27,28)11-9-25/h5-6,12,17,21H,2-4,7-11,13H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,25,26,24,8,7,27,13,19,14,18,20,4,2,9,3,23,6,22,10,28,21,5,29,12,11,16,17,30,15/E:(8,9)(10,11)(27,28)/CRV:30.6/rA:30CCCCNCCCCCONCCSOOCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;s23;s24;s25;s26;s23s27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-REXQQZHWUKJAGZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901128,CC1(C)CCC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1,REXQQZHWUKJAGZ,REXQQZHWUKJAGZ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-20(2)13-12-19(23)22(15-20)18-11-10-17(14-21-18)9-8-16-6-4-3-5-7-16/h3-7,10-11,14H,12-13,15H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,16,20,14,13,11,10,5,4,21,23,15,12,9,6,2,22,8,7/E:(1,2)(4,5)(6,7)/rA:23CCCCCCONCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s2s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-RFAFXZNHVPTQCU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112422,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCCF)c3)n2)cc(C)n1,RFAFXZNHVPTQCU,RFAFXZNHVPTQCU-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O2/c1-14-10-18(11-15(2)26-14)22-20-6-8-29-16(3)13-28(20)23(27-22)17-4-5-19(25)21(12-17)30-9-7-24/h4-5,10-12,16H,6-9,13H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,23,8,22,3,27,25,12,2,28,10,15,4,18,6,20,5,14,24,19,30,26,13,9,21/E:(1,2)(10,11)(14,15)/rA:30CCCCCCCCOCCCNCCCCCFCOCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s15d20;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-RFHXHTDPWUIDHL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL257223;44452893,Cc1cn2cc(C(=O)N3CCCC3C)cc2c(C#Cc2cscc2)n1,RFHXHTDPWUIDHL,RFHXHTDPWUIDHL-UHFFFAOYSA-N,"InChI=1S/C20H19N3OS/c1-14-11-22-12-17(20(24)23-8-3-4-15(23)2)10-19(22)18(21-14)6-5-16-7-9-25-13-16/h7,9-13,15H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,14,11,12,19,18,24,10,23,15,3,5,21,2,13,20,6,17,16,7,25,4,9,8,22/rA:25CCCNCCCONCCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s13;s6;s4d15;s16;s17;t18;s19;d20;s21;s22;s20d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-RFIKRRONIPLNPE_on_O00591_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_O14764_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P14867_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P18505_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P18507_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P28472_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P31644_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P34903_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P47869_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P47870_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P48169_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_P78334_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_Q16445_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFIKRRONIPLNPE_on_Q99928_WT,Low,ChEMBL30,CHEMBL69282,Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2,RFIKRRONIPLNPE,RFIKRRONIPLNPE-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-21-14-9-5-3-7-12(14)17-16(21)11-20-18-13-8-4-6-10-15(13)22(2)19(17)18/h3-11H,1-2H3","""AuxInfo=1/0/N:1,16,6,20,7,21,5,19,8,22,11,4,18,3,17,10,9,13,14,12,2,15/rA:22CNCCCCCCCCCNCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s15;s13d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-RFKZLAHCDUPOMC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL207744;2725933,Cc1nc(-c2ccccn2)nc(Sc2ccc(Cl)cc2)c1,RFKZLAHCDUPOMC,RFKZLAHCDUPOMC-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3","""AuxInfo=1/0/N:1,7,8,6,16,19,15,20,9,21,2,17,14,5,12,4,18,10,3,11,13/E:(5,6)(7,8)/rA:21CCNCCCCCCNNCSCCCCClCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;d14;s15;d16;s17;s17;s14d19;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700;PubChemAID:263826,PMID:16481165,2006.0,PMID:16481165;PubChemAID:263826,2006;2010,1;0,0,0,0,0;1,,=,  5.900;  5.903,5.902,0.001,0.001,2.0,5.902,0.001
-RFNXMSGJCRYTIU_on_P18507_WT,Low,ChEMBL30,CHEMBL1783278,CCN1Cc2c(C1=O)c(N)c1ccc(F)c(-c3cc(OC)ccc3OC)c1n2,RFNXMSGJCRYTIU,RFNXMSGJCRYTIU-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-4-25-10-15-18(21(25)26)19(23)12-6-7-14(22)17(20(12)24-15)13-9-11(27-2)5-8-16(13)28-3/h5-9H,4,10H2,1-3H3,(H2,23,24)","""AuxInfo=1/1/N:1,21,26,2,22,12,13,23,18,4,19,11,17,14,5,24,16,6,9,27,7,15,10,28,3,8,20,25/rA:28CCNCCCCOCNCCCCFCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;s14;d14;s16;d17;s18;s19;s20;d19;s22;s17d23;s24;s25;s11s16;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-RFNXMSGJCRYTIU_on_P28472_WT,Low,ChEMBL30,CHEMBL1783278,CCN1Cc2c(C1=O)c(N)c1ccc(F)c(-c3cc(OC)ccc3OC)c1n2,RFNXMSGJCRYTIU,RFNXMSGJCRYTIU-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-4-25-10-15-18(21(25)26)19(23)12-6-7-14(22)17(20(12)24-15)13-9-11(27-2)5-8-16(13)28-3/h5-9H,4,10H2,1-3H3,(H2,23,24)","""AuxInfo=1/1/N:1,21,26,2,22,12,13,23,18,4,19,11,17,14,5,24,16,6,9,27,7,15,10,28,3,8,20,25/rA:28CCNCCCCOCNCCCCFCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;s14;d14;s16;d17;s18;s19;s20;d19;s22;s17d23;s24;s25;s11s16;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-RFNXMSGJCRYTIU_on_P47869_WT,Low,ChEMBL30,CHEMBL1783278,CCN1Cc2c(C1=O)c(N)c1ccc(F)c(-c3cc(OC)ccc3OC)c1n2,RFNXMSGJCRYTIU,RFNXMSGJCRYTIU-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-4-25-10-15-18(21(25)26)19(23)12-6-7-14(22)17(20(12)24-15)13-9-11(27-2)5-8-16(13)28-3/h5-9H,4,10H2,1-3H3,(H2,23,24)","""AuxInfo=1/1/N:1,21,26,2,22,12,13,23,18,4,19,11,17,14,5,24,16,6,9,27,7,15,10,28,3,8,20,25/rA:28CCNCCCCOCNCCCCFCCCCOCCCCOCCN/rB:s1;s2;s3;s4;d5;s3s6;d7;s6;s9;d9;s11;d12;s13;s14;d14;s16;d17;s18;s19;s20;d19;s22;s17d23;s24;s25;s11s16;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-RFNYROKTILDQQA_on_P41594_WT,High,ChEMBL30,CHEMBL3702446,CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1,RFNYROKTILDQQA,RFNYROKTILDQQA-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-2-29-13-15-12-26(14-25-15)20-10-19-17-4-3-5-18(22-23-7-9-30-22)16(17)6-8-27(19)21(28)11-24-20/h3-5,7,9-10,12,14H,2,6,8,11,13H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,15,24,14,25,28,10,6,4,29,5,16,17,21,27,8,11,22,23,9,30,7,13,12,3,26/rA:30CCOCCCNCNCCONCCCCCCCCCNCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-RFNYROKTILDQQA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702446,CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1,RFNYROKTILDQQA,RFNYROKTILDQQA-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2S/c1-2-29-13-15-12-26(14-25-15)20-10-19-17-4-3-5-18(22-23-7-9-30-22)16(17)6-8-27(19)21(28)11-24-20/h3-5,7,9-10,12,14H,2,6,8,11,13H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,15,24,14,25,28,10,6,4,29,5,16,17,21,27,8,11,22,23,9,30,7,13,12,3,26/rA:30CCOCCCNCNCCONCCCCCCCCCNCCSCCCN/rB:s1;s2;s3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s23;d24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-RFNZHYHPUODDJB_on_P41594_WT,Low,ChEMBL30,CHEMBL1290008,O=C(CSc1ccccc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1,RFNZHYHPUODDJB,RFNZHYHPUODDJB-UHFFFAOYSA-N,"InChI=1S/C18H18Cl2N2OS/c19-14-6-7-17(16(20)12-14)21-8-10-22(11-9-21)18(23)13-24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2","""AuxInfo=1/0/N:8,7,9,6,10,21,22,13,23,12,24,18,3,19,5,16,15,2,20,17,14,11,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCSCCCCCCNCCNCCClCCClCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;d15;s16;s16;d18;s19;s19;s15d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.602,4.602,0.0,0.0,1.0,4.602,0.0
-RFOXASLOAHSVQO_on_P18507_WT,Low,ChEMBL30,CHEMBL376975,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F,RFOXASLOAHSVQO,RFOXASLOAHSVQO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-7-6-12(22)8-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,15,14,18,23,7,4,16,26,13,31,19,24,6,25,12,9,17,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-RFOXASLOAHSVQO_on_P28472_WT,Low,ChEMBL30,CHEMBL376975,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F,RFOXASLOAHSVQO,RFOXASLOAHSVQO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-7-6-12(22)8-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,15,14,18,23,7,4,16,26,13,31,19,24,6,25,12,9,17,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-RFOXASLOAHSVQO_on_P34903_WT,Low,ChEMBL30,CHEMBL376975,Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F,RFOXASLOAHSVQO,RFOXASLOAHSVQO-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-7-6-12(22)8-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,15,14,18,23,7,4,16,26,13,31,19,24,6,25,12,9,17,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCCFCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s16;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-RFPKDEILTCLXLZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL239599,O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc(O)[nH]2,RFPKDEILTCLXLZ,RFPKDEILTCLXLZ-UHFFFAOYSA-N,"InChI=1S/C14H10ClN3O2/c15-8-3-1-4-9(7-8)16-13(19)10-5-2-6-11-12(10)18-14(20)17-11/h1-7H,(H,16,19)(H2,17,18,20)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,6,4,11,15,16,2,18,7,3,20,17,1,19/rA:20OCNCCCClCCCCCCCCCNCON/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-RFQANKNFJBQQGX_on_P41594_WT,High,ChEMBL30,CHEMBL2346723,Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1,RFQANKNFJBQQGX,RFQANKNFJBQQGX-UHFFFAOYSA-N,"InChI=1S/C16H15FN4OS/c1-9-8-18-16(23-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22)","""AuxInfo=1/1/N:1,22,12,15,20,16,19,3,2,21,14,17,9,13,7,5,18,4,6,10,11,8,23/E:(4,5)(6,7)/rA:23CCCNCNCOCNNCCCCCCFCCCCS/rB:s1;d2;s3;d4;s5;s6;d7;s7;d9;s10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9d13;s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-RFQGMOMKALZEOS_on_P31644_WT,High,ChEMBL30,CHEMBL3681574,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccccn2)no1,RFQGMOMKALZEOS,RFQGMOMKALZEOS-UHFFFAOYSA-N,"InChI=1S/C19H18N4O3/c1-12-15(18(23-26-12)16-4-2-3-9-20-16)11-25-17-8-5-13(10-21-17)19(24)22-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,21,22,20,8,14,15,7,23,16,4,2,9,13,3,19,6,18,10,24,17,12,25,11,5,26/E:(6,7)/rA:26CCCCOCCCCCONCCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-RFRAFEHVVKZSNU_on_P41594_WT,High,ChEMBL30,CHEMBL1779867,CC(C)N1CCc2c(ccc(C#Cc3cccnc3)n2)C1=O,RFRAFEHVVKZSNU,RFRAFEHVVKZSNU-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-13(2)21-11-9-17-16(18(21)22)8-7-15(20-17)6-5-14-4-3-10-19-12-14/h3-4,7-8,10,12-13H,9,11H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,13,12,10,9,6,17,5,19,2,14,11,8,7,21,18,20,4,22/E:(1,2)/rA:22CCCNCCCCCCCCCCCCCNCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7d11;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,0,0,1,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-RFVUCJJSCWRYIR_on_P18507_WT,Low,ChEMBL30,CHEMBL317473,O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1,RFVUCJJSCWRYIR,RFVUCJJSCWRYIR-UHFFFAOYSA-N,"InChI=1S/C19H17Cl2N3O/c20-14-5-3-13(4-6-14)19-16(11-18(25)23-9-1-2-10-23)24-12-15(21)7-8-17(24)22-19/h3-8,12H,1-2,9-11H2","""AuxInfo=1/0/N:23,24,7,12,8,11,16,15,22,25,3,19,6,9,17,4,14,2,5,10,18,13,21,20,1/E:(1,2)(3,4)(5,6)(9,10)/rA:25OCCCCCCCCClCCNCCCCClCNNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s5;d13;s14;d15;s16;s17;d17;s4s14s19;s2;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-RFVUCJJSCWRYIR_on_P47869_WT,Low,ChEMBL30,CHEMBL317473,O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1,RFVUCJJSCWRYIR,RFVUCJJSCWRYIR-UHFFFAOYSA-N,"InChI=1S/C19H17Cl2N3O/c20-14-5-3-13(4-6-14)19-16(11-18(25)23-9-1-2-10-23)24-12-15(21)7-8-17(24)22-19/h3-8,12H,1-2,9-11H2","""AuxInfo=1/0/N:23,24,7,12,8,11,16,15,22,25,3,19,6,9,17,4,14,2,5,10,18,13,21,20,1/E:(1,2)(3,4)(5,6)(9,10)/rA:25OCCCCCCCCClCCNCCCCClCNNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s5;d13;s14;d15;s16;s17;d17;s4s14s19;s2;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-RFVUCJJSCWRYIR_on_P47870_WT,Low,ChEMBL30,CHEMBL317473,O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1,RFVUCJJSCWRYIR,RFVUCJJSCWRYIR-UHFFFAOYSA-N,"InChI=1S/C19H17Cl2N3O/c20-14-5-3-13(4-6-14)19-16(11-18(25)23-9-1-2-10-23)24-12-15(21)7-8-17(24)22-19/h3-8,12H,1-2,9-11H2","""AuxInfo=1/0/N:23,24,7,12,8,11,16,15,22,25,3,19,6,9,17,4,14,2,5,10,18,13,21,20,1/E:(1,2)(3,4)(5,6)(9,10)/rA:25OCCCCCCCCClCCNCCCCClCNNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;s9;s6d11;s5;d13;s14;d15;s16;s17;d17;s4s14s19;s2;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL824292,PMID:9301675,1997.0,PMID:9301675,1997,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-RFWHUQCYLLPWHN_on_P31644_WT,High,ChEMBL30,CHEMBL3676480,Cc1c(COc2ccc(C(=O)NC3CCC3)cn2)c(-c2ccccc2)no1,RFWHUQCYLLPWHN,RFWHUQCYLLPWHN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-14-18(20(24-27-14)15-6-3-2-4-7-15)13-26-19-11-10-16(12-22-19)21(25)23-17-8-5-9-17/h2-4,6-7,10-12,17H,5,8-9,13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,23,22,24,15,21,25,14,16,8,7,17,4,2,20,9,13,3,6,19,10,18,12,26,11,5,27/E:(3,4)(6,7)(8,9)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s13s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-RFXRCZZBJCMZPO_on_P41594_WT,High,ChEMBL30,CHEMBL1779868,CC(C)N1CCc2c(ccc(C#Cc3cccs3)n2)C1=O,RFXRCZZBJCMZPO,RFXRCZZBJCMZPO-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS/c1-12(2)19-10-9-16-15(17(19)20)8-6-13(18-16)5-7-14-4-3-11-21-14/h3-4,6,8,11-12H,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,12,10,13,9,6,5,17,2,11,14,8,7,20,19,4,21,18/E:(1,2)/rA:21CCCNCCCCCCCCCCCCCSNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s14s17;s7d11;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,1;0,0,0,0;1,0,,=,  7.350;  5.710,6.53,0.82,0.82,2.0,6.53,0.82
-RFYCGFKOGLYZKJ_on_P14867_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-RFYCGFKOGLYZKJ_on_P18507_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273620;CHEMBL1273616;CHEMBL1273619;CHEMBL1273615;CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.350;  5.520;  6.750;  6.380;  7.660;  5.520,6.53,0.823,0.368,6.0,6.565,0.915
-RFYCGFKOGLYZKJ_on_P28472_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273619;CHEMBL1273620;CHEMBL1273617;CHEMBL1273618;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.660;  6.380;  5.520;  7.350;  5.520;  6.750,6.53,0.823,0.368,6.0,6.565,0.915
-RFYCGFKOGLYZKJ_on_P31644_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-RFYCGFKOGLYZKJ_on_P34903_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-RFYCGFKOGLYZKJ_on_P47869_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-RFYCGFKOGLYZKJ_on_P48169_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RFYCGFKOGLYZKJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270741,O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1,RFYCGFKOGLYZKJ,RFYCGFKOGLYZKJ-UHFFFAOYSA-N,"InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H","""AuxInfo=1/0/N:21,22,20,23,25,7,12,15,19,24,8,10,5,18,13,16,4,2,9,11,6,14,17,1,3/rA:25OCOCCFCCFCFCCNCCNCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s8;s10;s4d10;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16s19;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RFZWEUQLVBBRPQ_on_O15399_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_O60391_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RFZWEUQLVBBRPQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL70615,COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,RFZWEUQLVBBRPQ,RFZWEUQLVBBRPQ-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,6,11,7,10,15,24,14,25,17,4,12,18,5,16,8,3,13,9,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25COCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s3;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RGAAAHVBPQZNJG_on_P41594_WT,Medium,ChEMBL30,CHEMBL332634,COCc1cncc(C#Cc2ncccc2)c1,RGAAAHVBPQZNJG,RGAAAHVBPQZNJG-UHFFFAOYSA-N,"InChI=1S/C14H12N2O/c1-17-11-13-8-12(9-15-10-13)5-6-14-4-2-3-7-16-14/h2-4,7-10H,11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,9,10,13,17,7,5,3,8,4,11,6,12,2/rA:17COCCCNCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL823384,PMID:12565928,2003.0,PMID:12565928,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-RGDFQXNMPLXTLJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3897793,CC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1(C)C,RGDFQXNMPLXTLJ,RGDFQXNMPLXTLJ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-19(2)20(3,4)24-18(23)22(19)17-13-12-16(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,1-4H3","""AuxInfo=1/0/N:23,24,1,3,17,16,18,15,19,13,12,10,9,20,14,11,8,5,22,2,21,7,6,4/E:(1,2)(3,4)(6,7)(8,9)/rA:24CCCOCONCCCCCCCCCCCCCNCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s2s7;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-RGDHMJMNRYQXCW_on_P14867_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-RGDHMJMNRYQXCW_on_P18507_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL681841;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.620;  8.770;  9.480;  9.150,8.755,0.7020000000000001,0.405,4.0,8.96,0.355
-RGDHMJMNRYQXCW_on_P28472_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL676826;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770;  7.620;  9.480;  9.150,8.755,0.7020000000000001,0.405,4.0,8.96,0.355
-RGDHMJMNRYQXCW_on_P31644_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.480,9.48,0.0,0.0,1.0,9.48,0.0
-RGDHMJMNRYQXCW_on_P34903_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-RGDHMJMNRYQXCW_on_P47869_WT,Low,ChEMBL30,CHEMBL52672,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1,RGDHMJMNRYQXCW,RGDHMJMNRYQXCW-UHFFFAOYSA-N,"InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2","""AuxInfo=1/0/N:1,2,27,13,12,3,26,14,11,19,23,20,22,17,18,4,9,10,5,8,15,21,6,7,24,25,16/E:(2,3)(6,7)(10,11)(12,13)/rA:27CCCCCNNCCCCCCCCOCCCCNCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-RGDXTZSZZQXINX_on_P41594_WT,High,ChEMBL30,CHEMBL211801,COc1cccc(C(=O)Nc2cccc(C)n2)c1,RGDXTZSZZQXINX,RGDXTZSZZQXINX-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2/c1-10-5-3-8-13(15-10)16-14(17)11-6-4-7-12(9-11)18-2/h3-9H,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:16,1,13,5,14,6,4,12,18,15,7,3,11,8,17,10,9,2/rA:18COCCCCCCONCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  4.340,4.34,0.0,0.0,1.0,4.34,0.0
-RGEHJFYCVAQARK_on_Q14833_WT,High,ChEMBL30,CHEMBL1209589,Nc1cncc(C=Cc2ccccc2)n1,RGEHJFYCVAQARK,RGEHJFYCVAQARK-UHFFFAOYSA-N,"InChI=1S/C12H11N3/c13-12-9-14-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,15)","""AuxInfo=1/1/N:12,11,13,10,14,8,7,5,3,9,6,2,1,4,15/E:(2,3)(4,5)/rA:15NCCNCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-RGERBXAYENEFSE_on_Q14416_WT,High,ChEMBL30,CHEMBL3337514,N#Cc1c(N2CCC(c3cc(F)ccc3)CC2)ccn(CC2CC2)c1=O,RGERBXAYENEFSE,RGERBXAYENEFSE-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O/c22-18-3-1-2-17(12-18)16-6-9-24(10-7-16)20-8-11-25(14-15-4-5-15)21(26)19(20)13-23/h1-3,8,11-12,15-16H,4-7,9-10,14H2","""AuxInfo=1/0/N:14,15,13,23,24,7,16,18,6,17,19,10,2,21,22,8,9,11,3,4,25,12,1,5,20,26/E:(4,5)(6,7)(9,10)/rA:26NCCCNCCCCCCFCCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s8;s5s16;s4;d18;s19;s20;s21;s22;s22s23;s3s20;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-RGGHJURLINFQIN_on_P41594_WT,High,ChEMBL30,CHEMBL2431420,Cc1nc2c(CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)s1,RGGHJURLINFQIN,RGGHJURLINFQIN-UHFFFAOYSA-N,"InChI=1S/C26H25FN4OS/c1-17-14-20(8-9-21(17)27)23-15-31(26(29-23)19-6-4-3-5-7-19)16-25(32)30-12-10-22-24(11-13-30)33-18(2)28-22/h3-9,14-15H,10-13,16H2,1-2H3","""AuxInfo=1/0/N:18,1,28,27,29,26,30,22,21,32,6,31,7,16,13,11,17,2,25,15,19,4,14,5,9,24,20,3,23,8,12,10,33/E:(4,5)(6,7)/rA:33CCNCCCCNCOCNCCCCCCCFCCNCCCCCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s16;s17;d17;s19;s19;s15d21;s14;s12d23;s24;d25;s26;d27;s28;s25d29;s8;s4s31;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-RGHRXKZPSJWWED_on_O00222_WT,High,ChEMBL30,CHEMBL4063142,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(=O)O,RGHRXKZPSJWWED,RGHRXKZPSJWWED-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-2-1-6(5-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,13,2,18,23,8,14,15,16,17,1,19,24,25,9,20,21,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCCFFFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s18;d19;s19;s10d18;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-RGHRXKZPSJWWED_on_O15303_WT,High,ChEMBL30,CHEMBL4063142,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(=O)O,RGHRXKZPSJWWED,RGHRXKZPSJWWED-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-2-1-6(5-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,13,2,18,23,8,14,15,16,17,1,19,24,25,9,20,21,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCCFFFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s18;d19;s19;s10d18;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.920;  5.240,5.08,0.16,0.16,2.0,5.08,0.16
-RGHRXKZPSJWWED_on_Q14831_WT,Low,ChEMBL30,CHEMBL4063142,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(=O)O,RGHRXKZPSJWWED,RGHRXKZPSJWWED-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-2-1-6(5-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,13,2,18,23,8,14,15,16,17,1,19,24,25,9,20,21,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCCFFFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s18;d19;s19;s10d18;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RGHRXKZPSJWWED_on_Q14833_WT,High,ChEMBL30,CHEMBL4063142,NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(=O)O,RGHRXKZPSJWWED,RGHRXKZPSJWWED-UHFFFAOYSA-N,"InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-2-1-6(5-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)","""AuxInfo=1/1/N:11,12,3,4,22,10,13,2,18,23,8,14,15,16,17,1,19,24,25,9,20,21,6,7,5/E:(13,14,15)(18,19)(21,22)(23,24)/CRV:17.5/rA:25NCCCPOOCOCCCCCFFFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;s18;d19;s19;s10d18;s2;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.360;  6.420,6.39,0.03,0.03,2.0,6.39,0.03
-RGKVPYQYBUAAEH_on_P41594_WT,High,ChEMBL30,CHEMBL1672539,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1c(Cl)ccc2,RGKVPYQYBUAAEH,RGKVPYQYBUAAEH-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,27,26,28,17,18,3,7,20,13,15,6,12,24,8,22,23,10,5,25,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;s24;d24;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680469;CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,0;1,0,0,1;0,0,,=,  8.620;  7.620,8.12,0.5,0.5,2.0,8.12,0.5
-RGKVPYQYBUAAEH_on_Q13255_WT,Low,ChEMBL30,CHEMBL1672539,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1c(Cl)ccc2,RGKVPYQYBUAAEH,RGKVPYQYBUAAEH-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,27,26,28,17,18,3,7,20,13,15,6,12,24,8,22,23,10,5,25,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;s24;d24;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1680471,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RGKVPYQYBUAAEH_on_Q14416_WT,Low,ChEMBL30,CHEMBL1672539,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1c(Cl)ccc2,RGKVPYQYBUAAEH,RGKVPYQYBUAAEH-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,27,26,28,17,18,3,7,20,13,15,6,12,24,8,22,23,10,5,25,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;s24;d24;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1680472,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RGKVPYQYBUAAEH_on_Q14831_WT,Low,ChEMBL30,CHEMBL1672539,CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1c(Cl)ccc2,RGKVPYQYBUAAEH,RGKVPYQYBUAAEH-UHFFFAOYSA-N,"InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,16,2,27,26,28,17,18,3,7,20,13,15,6,12,24,8,22,23,10,5,25,9,14,19,11,21,4/rA:28CCCNCCCCClCNCCNCCCCNCNCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;s24;d24;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL1680473,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RGKWPTOQXLVEIK_on_Q14643_WT,Medium,ChEMBL30,CHEMBL369479,CN(C)c1cc2c(cc1)c(-c1c(C(=O)O)cc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc1)c1ccc(=[N+](C)C)cc-1o2,RGKWPTOQXLVEIK,RGKWPTOQXLVEIK-UHFFFAOYSA-O,"InChI=1S/C34H42N3O19P3/c1-36(2)18-7-10-21-24(15-18)53-25-16-19(37(3)4)8-11-22(25)26(21)20-9-6-17(14-23(20)34(42)43)33(41)35-12-5-13-52-59(50,51)56-30-27(38)28(39)31(54-57(44,45)46)32(29(30)40)55-58(47,48)49/h6-11,14-16,27-32,38-40H,5,12-13H2,1-4H3,(H6-,35,41,42,43,44,45,46,47,48,49,50,51)/p+1","""AuxInfo=1/2/N:1,3,55,56,22,48,9,52,49,8,51,21,23,16,5,57,17,4,53,11,7,50,12,6,58,10,30,32,46,29,34,40,18,13,20,2,54,31,33,47,19,14,15,37,38,39,43,44,45,26,27,24,59,35,41,28,36,42,25/E:(1,2,3,4)(7,8)(10,11)(15,16)(18,19)(21,22)(24,25)(36,37)(42,43)(44,45,46)(47,48,49)(50,51)/CRV:37+1,43-1/rA:59CNCCCCCCCCCCCOOCCCONCCCOPOOOCCOCOCOPOOOCOPOOOCOCCCCCCN+CCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;d11;s12;d13;s13;s12;d16;s17;d18;s18;s20;s21;s22;s23;s24;d25;s25;s25;s28;s29;s30;s30;s32;s32;s34;s35;d36;s36;s36;s34;s40;s41;d42;s42;s42;s29s40;s46;s17;s11d48;d10;s50;d51;s52;w?53;s54;s54;s53;s50d57;s6s58;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-RGLFNZAAGTZMAV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3901364,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)F)c3)n2)ccn1,RGLFNZAAGTZMAV,RGLFNZAAGTZMAV-UHFFFAOYSA-N,"InChI=1S/C20H18ClF2N3O/c1-12-10-13(4-6-24-12)18-17-5-8-27-9-7-26(17)20(25-18)14-2-3-16(21)15(11-14)19(22)23/h2-4,6,10-11,19H,5,7-9H2,1H3","""AuxInfo=1/0/N:1,15,16,25,7,26,11,8,10,3,23,2,4,14,19,17,6,5,20,13,18,21,22,27,24,12,9/E:(22,23)/rA:27CCCCCCCCOCCNCCCCCClCCFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s20;s14d19;s5d13;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-RGLPONMIBWVOKK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713607;CHEMBL2403650,CC(C)S(=O)(=O)N1Cc2c(C1)sc(C#Cc1ccccc1)n2,RGLPONMIBWVOKK,RGLPONMIBWVOKK-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2S2/c1-12(2)22(19,20)18-10-14-15(11-18)21-16(17-14)9-8-13-6-4-3-5-7-13/h3-7,12H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,15,14,8,11,2,16,9,10,13,22,7,5,6,12,4/E:(1,2)(4,5)(6,7)(19,20)/CRV:22.6/rA:22CCCSOONCCCCSCCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;s8;d9;s7s10;s10;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759035;CHEMBL2405252,PMID:23770058,2013.0,PubChemAID:759035;PMID:23770058,2014;2013,0;1,0,0,0,1;0,,=,  6.854;  6.850,6.852,0.002,0.002,2.0,6.852,0.002
-RGQCQCRFDJYZNS_on_P41594_WT,Medium,ChEMBL30,CHEMBL363488,CN(c1cnccc1)c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1,RGQCQCRFDJYZNS,RGQCQCRFDJYZNS-UHFFFAOYSA-N,"InChI=1S/C18H14FN7/c1-25(14-5-4-7-20-12-14)15-9-13(19)10-16(11-15)26-23-18(22-24-26)17-6-2-3-8-21-17/h2-12H,1H3","""AuxInfo=1/0/N:1,23,22,7,8,24,6,21,10,13,26,4,11,3,9,14,19,18,12,5,20,17,25,16,2,15/rA:26CNCCNCCCCCCFCCNNNCCNCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;s11;d11;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s15d18;s9d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-RGQMXSYDCRBJOE_on_O00222_WT,Low,ChEMBL30,CHEMBL4090699,N#Cc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)ccc1,RGQMXSYDCRBJOE,RGQMXSYDCRBJOE-UHFFFAOYSA-N,"InChI=1S/C12H15N2O5P/c13-7-8-2-1-3-9(6-8)12(17)20(18,19)5-4-10(14)11(15)16/h1-3,6,10,12,17H,4-5,14H2,(H,15,16)(H,18,19)","""AuxInfo=1/1/N:19,20,18,12,11,4,2,3,5,13,15,6,1,14,16,17,7,9,10,8/E:(15,16)(18,19)/rA:20NCCCCCOPOOCCCNCOOCCC/rB:t1;s2;d3;s4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.660,3.66,0.0,0.0,1.0,3.66,0.0
-RGQMXSYDCRBJOE_on_Q14833_WT,High,ChEMBL30,CHEMBL4090699,N#Cc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)ccc1,RGQMXSYDCRBJOE,RGQMXSYDCRBJOE-UHFFFAOYSA-N,"InChI=1S/C12H15N2O5P/c13-7-8-2-1-3-9(6-8)12(17)20(18,19)5-4-10(14)11(15)16/h1-3,6,10,12,17H,4-5,14H2,(H,15,16)(H,18,19)","""AuxInfo=1/1/N:19,20,18,12,11,4,2,3,5,13,15,6,1,14,16,17,7,9,10,8/E:(15,16)(18,19)/rA:20NCCCCCOPOOCCCNCOOCCC/rB:t1;s2;d3;s4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.390,4.39,0.0,0.0,1.0,4.39,0.0
-RGROFRQKOCQFNK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3941663,N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1,RGROFRQKOCQFNK,RGROFRQKOCQFNK-UHFFFAOYSA-N,"InChI=1S/C23H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15/h1-8,10-11,13H,9H2,(H2,26,29)","""AuxInfo=1/1/N:5,9,14,19,15,18,4,10,7,27,20,2,28,8,6,13,16,3,11,12,26,21,22,17,1,23,29,25,24/E:(3,4)(5,6)/rA:29NCCCCCCCCCCCCCCCFCCCCCNONCCCN/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-RGRWZXHDRHFXDI_on_P41594_WT,High,ChEMBL30,CHEMBL2346722,Cc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1,RGRWZXHDRHFXDI,RGRWZXHDRHFXDI-UHFFFAOYSA-N,"InChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22)","""AuxInfo=1/1/N:1,22,12,15,20,16,19,3,2,21,14,17,9,13,7,5,18,23,6,10,11,8,4/E:(4,5)(6,7)/rA:23CCCSCNCOCNNCCCCCCFCCCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9d13;s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-RGWOFMLSFLEIGO_on_P31644_WT,High,ChEMBL30,CHEMBL3686280,NC(=O)c1ccc(COCc2conc2-c2ccc(F)cn2)nc1,RGWOFMLSFLEIGO,RGWOFMLSFLEIGO-UHFFFAOYSA-N,"InChI=1S/C16H13FN4O3/c17-12-2-4-14(20-6-12)15-11(8-24-21-15)7-23-9-13-3-1-10(5-19-13)16(18)22/h1-6,8H,7,9H2,(H2,18,22)","""AuxInfo=1/1/N:5,18,6,17,24,21,10,12,8,4,11,19,7,16,15,2,20,1,23,22,14,3,9,13/rA:24NCOCCCCCOCCCONCCCCCFCNNC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;d18;s19;s19;s16d21;s7;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-RGWULFRIBNLBMG_on_P41594_WT,Low,ChEMBL30,CHEMBL3964213,Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1,RGWULFRIBNLBMG,RGWULFRIBNLBMG-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-14-5-6-15(11-22-14)20(26)24-7-8-25-18(12-24)10-17(23-25)13-27-19-4-2-3-16(21)9-19/h2-6,9-11H,7-8,12-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,3,4,9,10,22,23,26,25,14,2,5,20,13,24,16,6,21,27,12,8,11,7,15/rA:27CCCCCCONCCNNCCOCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s13;s11d23;s8s24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-RHARCGZTSJROQQ_on_O00591_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_O14764_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P14867_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P18505_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P18507_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P28472_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P31644_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P34903_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P47869_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P47870_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P48169_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_P78334_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARCGZTSJROQQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL91617,Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RHARCGZTSJROQQ,RHARCGZTSJROQQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-10-7-8-12-14(9-10)21-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,15,14,16,13,17,3,4,21,2,12,5,18,20,9,7,11,6,8,10,19/rA:21CCCCCNCNCONCCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s8s12s17;s7;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RHARVCJGBVKURN_on_P31644_WT,High,ChEMBL30,CHEMBL3681530,CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,RHARVCJGBVKURN,RHARVCJGBVKURN-UHFFFAOYSA-N,"InChI=1S/C21H23N3O5S/c1-3-4-12-30(26,27)24-21(25)17-10-11-19(22-13-17)28-14-18-15(2)29-23-20(18)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,19,2,3,26,25,27,24,28,12,13,4,30,16,18,23,11,17,14,22,9,29,21,8,10,6,7,15,20,5/E:(6,7)(8,9)(26,27)/CRV:30.6/rA:30CCCCSOONCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s9;d11;s12;d13;s14;s15;s16;d17;s18;s18;s20;s17d21;s22;d23;s24;d25;s26;s23d27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.490,7.49,0.0,0.0,1.0,7.49,0.0
-RHBJJVOMMCNWEU_on_P41594_WT,High,ChEMBL30,CHEMBL205606,Cc1cc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)n1,RHBJJVOMMCNWEU,RHBJJVOMMCNWEU-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-13-9-18(22-14(2)7-8-15(22)3)11-19(21-13)23-12-16-5-4-6-17(20)10-16/h4-11H,12H2,1-3H3","""AuxInfo=1/0/N:1,7,11,18,17,19,8,9,3,22,12,15,2,6,10,16,20,4,13,21,23,5,14/E:(2,3)(7,8)(14,15)/rA:23CCCCNCCCCCCCCOCCCCCCClCN/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d4;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-RHDZEQUJMAHFRP_on_P41594_WT,Low,ChEMBL30,CHEMBL248233,Cc1nc2c(cnn2-c2cc(S(N)(=O)=O)ccc2)c(=O)n1-c1ccc(Cl)cc1,RHDZEQUJMAHFRP,RHDZEQUJMAHFRP-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-7-5-12(19)6-8-13)10-21-24(17)14-3-2-4-15(9-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)","""AuxInfo=1/1/N:1,17,18,16,24,27,23,28,10,6,2,25,22,9,11,5,4,19,26,13,7,3,21,8,20,14,15,12/E:(5,6)(7,8)(26,27)/CRV:28.6/rA:28CCNCCCNNCCCSNOOCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;s11;s12;d12;d12;d11;s16;s9d17;s5;d19;s2s19;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RHDZEQUJMAHFRP_on_Q13255_WT,High,ChEMBL30,CHEMBL248233,Cc1nc2c(cnn2-c2cc(S(N)(=O)=O)ccc2)c(=O)n1-c1ccc(Cl)cc1,RHDZEQUJMAHFRP,RHDZEQUJMAHFRP-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-7-5-12(19)6-8-13)10-21-24(17)14-3-2-4-15(9-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)","""AuxInfo=1/1/N:1,17,18,16,24,27,23,28,10,6,2,25,22,9,11,5,4,19,26,13,7,3,21,8,20,14,15,12/E:(5,6)(7,8)(26,27)/CRV:28.6/rA:28CCNCCCNNCCCSNOOCCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;s11;s12;d12;d12;d11;s16;s9d17;s5;d19;s2s19;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-RHLIUPSYJDDFKO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3985230,CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CCC1(C)C,RHLIUPSYJDDFKO,RHLIUPSYJDDFKO-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c1-19(2)9-10-24(18(25)23(19)3)17-21-12-15(13-22-17)8-7-14-5-4-6-16(20)11-14/h4-6,11-13H,9-10H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,22,21,18,8,19,12,9,16,6,3,23,17,7,20,2,5,4/E:(1,2)(12,13)(21,22)/rA:25CNCONCNCCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-RHLXQTMEYJUCHA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684231,O=C1c2c(CCN1CC1CC1)nc(C#Cc1cc(F)ccc1)cc2,RHLXQTMEYJUCHA,RHLXQTMEYJUCHA-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O/c21-16-3-1-2-14(12-16)6-7-17-8-9-18-19(22-17)10-11-23(20(18)24)13-15-4-5-15/h1-3,8-9,12,15H,4-5,10-11,13H2","""AuxInfo=1/0/N:21,22,20,10,11,15,14,23,24,5,6,17,8,16,9,18,13,3,4,2,19,12,7,1/E:(4,5)/rA:24OCCCCCNCCCCNCCCCCCFCCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s9s10;s4;d12;s13;t14;s15;d16;s17;s18;d18;s20;s16d21;s13;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687120,PMID:21315585,2011.0,PMID:21315585,2011,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-RHMPXPSEUXKQBG_on_P41594_WT,Low,ChEMBL30,CHEMBL248209,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(O)cc1,RHMPXPSEUXKQBG,RHMPXPSEUXKQBG-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c1-12-20-17-16(11-19-22(17)14-5-3-2-4-6-14)18(24)21(12)13-7-9-15(23)10-8-13/h2-11,23H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,24,20,23,6,2,18,9,21,5,4,15,7,3,17,8,22,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RHMPXPSEUXKQBG_on_Q13255_WT,High,ChEMBL30,CHEMBL248209,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(O)cc1,RHMPXPSEUXKQBG,RHMPXPSEUXKQBG-UHFFFAOYSA-N,"InChI=1S/C18H14N4O2/c1-12-20-17-16(11-19-22(17)14-5-3-2-4-6-14)18(24)21(12)13-7-9-15(23)10-8-13/h2-11,23H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,24,20,23,6,2,18,9,21,5,4,15,7,3,17,8,22,16/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCNCCCNNCCCCCCCONCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-RHNSCVAPLZDOCX_on_P41594_WT,High,ChEMBL30,CHEMBL190504,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(Cl)ccc1,RHNSCVAPLZDOCX,RHNSCVAPLZDOCX-UHFFFAOYSA-N,"InChI=1S/C22H16ClN3O/c23-18-11-7-10-17(14-18)22(27)24-21-15-20(16-8-3-1-4-9-16)25-26(21)19-12-5-2-6-13-19/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,26,8,12,27,25,16,20,22,5,7,21,23,15,6,4,2,24,3,13,14,1/E:(3,4)(5,6)(8,9)(12,13)/rA:27OCNCCCCCCCCCNNCCCCCCCCCClCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;s23;d23;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-RHOPMSQZYZATJZ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11324832;CHEMBL175699,CCc1c(C)nc2ccc(C(=O)CC3CCC(OC)CC3)cc2c1,RHOPMSQZYZATJZ,RHOPMSQZYZATJZ-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3","""AuxInfo=1/0/N:1,5,19,2,15,21,9,16,20,8,13,24,22,4,14,3,10,23,17,7,11,6,12,18/E:(5,6)(8,9)/rA:24CCCCCNCCCCCOCCCCCOCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s17;s14s20;d10;s7s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  7.071;  7.070,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-RHPSRJBQHFLHNQ_on_P14867_WT,Low,ChEMBL30,CHEMBL372302,CNc1cc(-c2cc(Br)ccc2)cnn1,RHPSRJBQHFLHNQ,RHPSRJBQHFLHNQ-UHFFFAOYSA-N,"InChI=1S/C11H10BrN3/c1-13-11-6-9(7-14-15-11)8-3-2-4-10(12)5-8/h2-7H,1H3,(H,13,15)","""AuxInfo=1/1/N:1,11,12,10,7,4,13,6,5,8,3,9,2,14,15/rA:15CNCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-RHPSRJBQHFLHNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL372302,CNc1cc(-c2cc(Br)ccc2)cnn1,RHPSRJBQHFLHNQ,RHPSRJBQHFLHNQ-UHFFFAOYSA-N,"InChI=1S/C11H10BrN3/c1-13-11-6-9(7-14-15-11)8-3-2-4-10(12)5-8/h2-7H,1H3,(H,13,15)","""AuxInfo=1/1/N:1,11,12,10,7,4,13,6,5,8,3,9,2,14,15/rA:15CNCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570;  6.950;  7.310,7.277,0.254,0.18,3.0,7.31,0.26
-RHPSRJBQHFLHNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL372302,CNc1cc(-c2cc(Br)ccc2)cnn1,RHPSRJBQHFLHNQ,RHPSRJBQHFLHNQ-UHFFFAOYSA-N,"InChI=1S/C11H10BrN3/c1-13-11-6-9(7-14-15-11)8-3-2-4-10(12)5-8/h2-7H,1H3,(H,13,15)","""AuxInfo=1/1/N:1,11,12,10,7,4,13,6,5,8,3,9,2,14,15/rA:15CNCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.950;  7.310;  7.570,7.277,0.254,0.18,3.0,7.31,0.26
-RHPSRJBQHFLHNQ_on_P31644_WT,Low,ChEMBL30,CHEMBL372302,CNc1cc(-c2cc(Br)ccc2)cnn1,RHPSRJBQHFLHNQ,RHPSRJBQHFLHNQ-UHFFFAOYSA-N,"InChI=1S/C11H10BrN3/c1-13-11-6-9(7-14-15-11)8-3-2-4-10(12)5-8/h2-7H,1H3,(H,13,15)","""AuxInfo=1/1/N:1,11,12,10,7,4,13,6,5,8,3,9,2,14,15/rA:15CNCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-RHPSRJBQHFLHNQ_on_P34903_WT,Low,ChEMBL30,CHEMBL372302,CNc1cc(-c2cc(Br)ccc2)cnn1,RHPSRJBQHFLHNQ,RHPSRJBQHFLHNQ-UHFFFAOYSA-N,"InChI=1S/C11H10BrN3/c1-13-11-6-9(7-14-15-11)8-3-2-4-10(12)5-8/h2-7H,1H3,(H,13,15)","""AuxInfo=1/1/N:1,11,12,10,7,4,13,6,5,8,3,9,2,14,15/rA:15CNCCCCCCBrCCCCNN/rB:s1;s2;d3;s4;s5;d6;s7;s8;d8;s10;s6d11;d5;s13;s3d14;/rC:;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-RHVYRXNLGSDCED_on_P41594_WT,Low,ChEMBL30,CHEMBL611316,CC1CCCN(C(=O)c2n[nH]c(Nc3ccc(Cl)cc3)c2)C1,RHVYRXNLGSDCED,RHVYRXNLGSDCED-UHFFFAOYSA-N,"InChI=1S/C16H19ClN4O/c1-11-3-2-8-21(10-11)16(22)14-9-15(20-19-14)18-13-6-4-12(17)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,16,19,15,20,5,21,22,2,17,14,9,12,7,18,13,10,11,6,8/E:(4,5)(6,7)/rA:22CCCCCNCOCNNCNCCCCClCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s12;s13;d14;s15;d16;s17;s17;s14d19;s9d12;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RHWLMWAVSZGUAT_on_Q14833_WT,High,ChEMBL30,CHEMBL4239399,Cn1ncc2c1cc(Nc1c3ncccc3n[nH]1)cc2,RHWLMWAVSZGUAT,RHWLMWAVSZGUAT-UHFFFAOYSA-N,"InChI=1S/C14H12N6/c1-20-12-7-10(5-4-9(12)8-16-20)17-14-13-11(18-19-14)3-2-6-15-13/h2-8H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,14,15,20,19,13,7,4,5,8,16,6,11,10,12,3,9,17,18,2/rA:20CNNCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RHXPHVFRQIPISP_on_P41594_WT,Medium,ChEMBL30,CHEMBL186127,Clc1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,RHXPHVFRQIPISP,RHXPHVFRQIPISP-UHFFFAOYSA-N,InChI=1S/C18H12ClN5/c19-15-9-7-13(8-10-15)14-4-3-5-16(12-14)24-22-18(21-23-24)17-6-1-2-11-20-17/h1-12H,"""AuxInfo=1/0/N:19,18,8,7,9,20,4,23,3,24,17,22,5,6,2,10,15,14,1,16,13,21,12,11/E:(7,8)(9,10)/rA:24ClCCCCCCCCCNNNCCNCCCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RIAXXCQKICATHW_on_O15399_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.480;  6.430,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_O60391_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.430;  6.480,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.480;  6.430,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_Q05586_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.480;  6.430,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_Q12879_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.480;  6.430,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_Q13224_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.480;  6.430,6.455,0.025,0.025,2.0,6.455,0.025
-RIAXXCQKICATHW_on_Q14957_WT,Low,ChEMBL30,CHEMBL309603,Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1,RIAXXCQKICATHW,RIAXXCQKICATHW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,14,4,16,3,15,5,17,18,12,2,13,6,11,8,9,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)/rA:18CCCCCCNCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.430;  6.480,6.455,0.025,0.025,2.0,6.455,0.025
-RIBGQZYTHLVWHH_on_P41594_WT,High,ChEMBL30,CHEMBL2403676,Fc1cc(C#Cc2nc3c(CN(C4CCC4)CC3)s2)ccc1,RIBGQZYTHLVWHH,RIBGQZYTHLVWHH-UHFFFAOYSA-N,"InChI=1S/C18H17FN2S/c19-14-4-1-3-13(11-14)7-8-18-20-16-9-10-21(12-17(16)22-18)15-5-2-6-15/h1,3-4,11,15H,2,5-6,9-10,12H2","""AuxInfo=1/0/N:21,15,20,22,14,16,5,6,18,17,3,11,4,2,13,9,10,7,1,8,12,19/E:(5,6)/rA:22FCCCCCCNCCCNCCCCCCSCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s13s15;s12;s9s17;s7s10;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-RIGHXRZXELDLPK_on_O15399_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_O60391_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGHXRZXELDLPK_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365740,Cc1ccc(C=NN=C(N)N)c2c1cccc2,RIGHXRZXELDLPK,RIGHXRZXELDLPK-UHFFFAOYSA-N,"InChI=1S/C13H14N4/c1-9-6-7-10(8-16-17-13(14)15)12-5-3-2-4-11(9)12/h2-8H,1H3,(H4,14,15,17)","""AuxInfo=1/1/N:1,15,16,14,17,3,4,6,2,5,13,12,9,10,11,7,8/E:(14,15)/rA:17CCCCCCNNCNNCCCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;w?8;s9;s9;s5;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-RIGRHXZRVQAUFH_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1808878;CHEMBL1808878;56660086,Cc1c(C2CCCN2C(=O)c2ccccn2)cnc(-c2cc(Cl)ccc2)c1,RIGRHXZRVQAUFH,RIGRHXZRVQAUFH-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O/c1-15-12-20(16-6-4-7-17(23)13-16)25-14-18(15)21-9-5-11-26(21)22(27)19-8-2-3-10-24-19/h2-4,6-8,10,12-14,21H,5,9,11H2,1H3","""AuxInfo=1/0/N:1,13,14,25,6,26,24,12,5,15,7,27,21,17,2,20,22,3,11,19,4,9,23,16,18,8,10/rA:27CCCCCCCNCOCCCCCNCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,0;1;0,0,0,1;0;0,0;0;1,,=,  6.430;  6.850;  6.854,6.711,0.19899999999999998,0.141,3.0,6.85,0.004
-RIHAWJMDOZTVEP_on_Q05586_WT,Low,ChEMBL30,CHEMBL2398521,COc1c(CNCCCCCCCCNCCCCCCNCCCCCCCCNCc2c(OC)cccc2)cccc1,RIHAWJMDOZTVEP,RIHAWJMDOZTVEP-UHFFFAOYSA-N,"InChI=1S/C38H66N4O2/c1-43-37-25-15-13-23-35(37)33-41-31-21-9-5-3-7-17-27-39-29-19-11-12-20-30-40-28-18-8-4-6-10-22-32-42-34-36-24-14-16-26-38(36)44-2/h13-16,23-26,39-42H,3-12,17-22,27-34H2,1-2H3","""AuxInfo=1/0/N:1,36,11,26,10,27,12,25,9,28,18,19,42,39,43,38,13,24,17,20,8,29,41,40,44,37,14,23,16,21,7,30,5,32,4,33,3,34,15,22,6,31,2,35/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44COCCCNCCCCCCCCNCCCCCCNCCCCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;d33;s34;s35;s34;d37;s38;s33d39;s4;d41;s42;s3d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RIHAWJMDOZTVEP_on_Q12879_WT,Low,ChEMBL30,CHEMBL2398521,COc1c(CNCCCCCCCCNCCCCCCNCCCCCCCCNCc2c(OC)cccc2)cccc1,RIHAWJMDOZTVEP,RIHAWJMDOZTVEP-UHFFFAOYSA-N,"InChI=1S/C38H66N4O2/c1-43-37-25-15-13-23-35(37)33-41-31-21-9-5-3-7-17-27-39-29-19-11-12-20-30-40-28-18-8-4-6-10-22-32-42-34-36-24-14-16-26-38(36)44-2/h13-16,23-26,39-42H,3-12,17-22,27-34H2,1-2H3","""AuxInfo=1/0/N:1,36,11,26,10,27,12,25,9,28,18,19,42,39,43,38,13,24,17,20,8,29,41,40,44,37,14,23,16,21,7,30,5,32,4,33,3,34,15,22,6,31,2,35/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44COCCCNCCCCCCCCNCCCCCCNCCCCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;d33;s34;s35;s34;d37;s38;s33d39;s4;d41;s42;s3d43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RIJQEYSVQQXNHD_on_Q14416_WT,High,ChEMBL30,CHEMBL3884094,FC(F)(F)c1c(OCC2(c3ccccc3)CCCCC2)ccn2c(CC3CC3)nnc12,RIJQEYSVQQXNHD,RIJQEYSVQQXNHD-UHFFFAOYSA-N,"InChI=1S/C24H26F3N3O/c25-24(26,27)21-19(11-14-30-20(15-17-9-10-17)28-29-22(21)30)31-16-23(12-5-2-6-13-23)18-7-3-1-4-8-18/h1,3-4,7-8,11,14,17H,2,5-6,9-10,12-13,15-16H2","""AuxInfo=1/0/N:13,18,12,14,17,19,11,15,27,28,21,16,20,22,25,8,26,10,6,24,5,31,9,2,1,3,4,29,30,23,7/E:(3,4)(5,6)(7,8)(9,10)(12,13)(25,26,27)/rA:31FCFFCCOCCCCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s17;s18;s9s19;s6;d21;s22;s23;s24;s25;s26;s26s27;d24;s29;s5s23d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-RIMQNIZNDUNPQK_on_P41594_WT,Low,ChEMBL30,CHEMBL1093901,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1,RIMQNIZNDUNPQK,RIMQNIZNDUNPQK-UHFFFAOYSA-N,"InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,18,3,23,4,22,7,2,17,5,13,9,10,14,12,20,15,8,16,19,6,21,11/E:(3,4)(5,6)/rA:23CCCCCNCNCCSCCCNNCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1106228,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-RIMQNIZNDUNPQK_on_Q13255_WT,High,ChEMBL30,CHEMBL1093901,Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1,RIMQNIZNDUNPQK,RIMQNIZNDUNPQK-UHFFFAOYSA-N,"InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)","""AuxInfo=1/1/N:1,18,3,23,4,22,7,2,17,5,13,9,10,14,12,20,15,8,16,19,6,21,11/E:(3,4)(5,6)/rA:23CCCCCNCNCCSCCCNNCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;d14;s16;s17;s12d17;s6s10;d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1106227,PMID:20346665,2010.0,PMID:20346665,2010,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-RINRTVBSMKHYQY_on_P18507_WT,Low,ChEMBL30,CHEMBL1783255,CCCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RINRTVBSMKHYQY,RINRTVBSMKHYQY-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,21,16,2,3,24,23,25,18,17,4,22,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-RINRTVBSMKHYQY_on_P28472_WT,Low,ChEMBL30,CHEMBL1783255,CCCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RINRTVBSMKHYQY,RINRTVBSMKHYQY-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,21,16,2,3,24,23,25,18,17,4,22,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-RINRTVBSMKHYQY_on_P47869_WT,Low,ChEMBL30,CHEMBL1783255,CCCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RINRTVBSMKHYQY,RINRTVBSMKHYQY-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,21,16,2,3,24,23,25,18,17,4,22,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-RIROWDADQRKVQH_on_P31644_WT,High,ChEMBL30,CHEMBL3676500,Cc1c(COc2ccc(C(=O)Nc3ccccc3)cn2)c(-c2ccccc2)no1,RIROWDADQRKVQH,RIROWDADQRKVQH-UHFFFAOYSA-N,"InChI=1S/C23H19N3O3/c1-16-20(22(26-29-16)17-8-4-2-5-9-17)15-28-21-13-12-18(14-24-21)23(27)25-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,25,16,24,26,15,17,23,27,14,18,8,7,19,4,2,22,9,13,3,6,21,10,20,12,28,11,5,29/E:(4,5)(6,7)(8,9)(10,11)/rA:29CCCCOCCCCCONCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-RIRXMHQEWQHWPO_on_O00222_WT,High,ChEMBL30,CHEMBL4086929,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,RIRXMHQEWQHWPO,RIRXMHQEWQHWPO-UHFFFAOYSA-N,"InChI=1S/C12H18NO6P/c1-19-9-4-2-8(3-5-9)12(16)20(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,5,19,4,20,13,12,6,3,14,16,7,15,17,18,8,10,11,2,9/E:(2,3)(4,5)(14,15)(17,18)/rA:20COCCCCCOPOOCCCNCOOCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-RIRXMHQEWQHWPO_on_O15303_WT,High,ChEMBL30,CHEMBL4086929,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,RIRXMHQEWQHWPO,RIRXMHQEWQHWPO-UHFFFAOYSA-N,"InChI=1S/C12H18NO6P/c1-19-9-4-2-8(3-5-9)12(16)20(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,5,19,4,20,13,12,6,3,14,16,7,15,17,18,8,10,11,2,9/E:(2,3)(4,5)(14,15)(17,18)/rA:20COCCCCCOPOOCCCNCOOCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-RIRXMHQEWQHWPO_on_Q14833_WT,High,ChEMBL30,CHEMBL4086929,COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1,RIRXMHQEWQHWPO,RIRXMHQEWQHWPO-UHFFFAOYSA-N,"InChI=1S/C12H18NO6P/c1-19-9-4-2-8(3-5-9)12(16)20(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)","""AuxInfo=1/1/N:1,5,19,4,20,13,12,6,3,14,16,7,15,17,18,8,10,11,2,9/E:(2,3)(4,5)(14,15)(17,18)/rA:20COCCCCCOPOOCCCNCOOCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;d9;s9;s9;s12;s13;s14;s14;d16;s16;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-RISASGPFGUVXIG_on_P18507_WT,Low,ChEMBL30,CHEMBL192819,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1,RISASGPFGUVXIG,RISASGPFGUVXIG-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O4/c1-2-27-18(24)15-10-22(16-8-5-12(19)9-14(16)20)17(21-15)11-3-6-13(7-4-11)23(25)26/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,26,15,20,25,16,12,7,18,13,21,10,6,9,17,4,14,11,27,8,22,5,23,24,3/E:(3,4)(6,7)(25,26)/CRV:23.5/rA:27CCOCOCCNCCClCCClCCCCCCCN+OO-CCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-RISASGPFGUVXIG_on_P47869_WT,Low,ChEMBL30,CHEMBL192819,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1,RISASGPFGUVXIG,RISASGPFGUVXIG-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O4/c1-2-27-18(24)15-10-22(16-8-5-12(19)9-14(16)20)17(21-15)11-3-6-13(7-4-11)23(25)26/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,26,15,20,25,16,12,7,18,13,21,10,6,9,17,4,14,11,27,8,22,5,23,24,3/E:(3,4)(6,7)(25,26)/CRV:23.5/rA:27CCOCOCCNCCClCCClCCCCCCCN+OO-CCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-RISASGPFGUVXIG_on_P47870_WT,Low,ChEMBL30,CHEMBL192819,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1,RISASGPFGUVXIG,RISASGPFGUVXIG-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O4/c1-2-27-18(24)15-10-22(16-8-5-12(19)9-14(16)20)17(21-15)11-3-6-13(7-4-11)23(25)26/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,26,15,20,25,16,12,7,18,13,21,10,6,9,17,4,14,11,27,8,22,5,23,24,3/E:(3,4)(6,7)(25,26)/CRV:23.5/rA:27CCOCOCCNCCClCCClCCCCCCCN+OO-CCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-RISZHZAENDJETH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL313124,Cc1c(C(N)C(=O)O)ccc(C(=O)O)c1O,RISZHZAENDJETH,RISZHZAENDJETH-UHFFFAOYSA-N,"InChI=1S/C10H11NO5/c1-4-5(7(11)10(15)16)2-3-6(8(4)12)9(13)14/h2-3,7,12H,11H2,1H3,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:1,9,10,2,3,11,4,15,12,6,5,16,13,14,7,8/E:(13,14)(15,16)/rA:16CCCCNCOOCCCCOOCO/rB:s1;d2;s3;s4;s4;d6;s6;s3;d9;s10;s11;d12;s12;s2d11;s15;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076;CHEMBL822315,DOI:10.1016/S0960-894X(97)10071-3,1997.0,PMID:10893301;DOI:10.1016/S0960-894X(97)10071-3,2000;1997,0;1,0,0,1;0,0,,=,  5.220;  5.220,5.22,0.0,0.0,2.0,5.22,0.0
-RIVBTJDWGKVPQA_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,42610166;CHEMBL606153,N#Cc1c(-c2ccc(N3CCCCC3)cc2)ccn2c(CC(F)(F)F)cnc12,RIVBTJDWGKVPQA,RIVBTJDWGKVPQA-UHFFFAOYSA-N,"InChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-19(13-25)18(8-11-28(17)20)15-4-6-16(7-5-15)27-9-2-1-3-10-27/h4-8,11,14H,1-3,9-10,12H2","""AuxInfo=1/0/N:12,11,13,6,16,7,15,17,10,14,18,21,2,26,5,8,20,4,3,28,22,23,24,25,1,27,9,19/E:(2,3)(4,5)(6,7)(9,10)(22,23,24)/rA:28NCCCCCCCNCCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s5d15;s4;d17;s18;s19;s20;s21;s22;s22;s22;d20;s26;s3s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:451968;CHEMBL1047687,PMID:19932615,2010.0,PubChemAID:451968;PMID:19932615,2010,0,0;1,0,0,1;0,,=,  6.630;  6.630,6.63,0.0,0.0,2.0,6.63,0.0
-RIXDIVBFRYYMRM_on_P41594_WT,High,ChEMBL30,CHEMBL202436,Cc1nc(C#Cc2cc(F)cc(F)c2)cs1,RIXDIVBFRYYMRM,RIXDIVBFRYYMRM-UHFFFAOYSA-N,"InChI=1S/C12H7F2NS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,8,14,11,15,2,7,9,12,4,10,13,3,16/E:(4,5)(10,11)(13,14)/rA:16CCNCCCCCCFCCFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s12;s7d12;d4;s2s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-RIYSYRWQPZAUDK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2418364;72163432,O=C(N1CC2CN(c3ccccn3)CC2C1)C12CC3CC(CC(C3)C1)C2,RIYSYRWQPZAUDK,RIYSYRWQPZAUDK-UHFFFAOYSA-N,"InChI=1S/C22H29N3O/c26-21(22-8-15-5-16(9-22)7-17(6-15)10-22)25-13-18-11-24(12-19(18)14-25)20-3-1-2-4-23-20/h1-4,15-19H,5-14H2","""AuxInfo=1/0/N:10,11,9,12,20,22,24,26,18,25,6,14,4,16,21,19,23,5,15,8,2,17,13,7,3,1/E:(5,6,7)(8,9,10)(11,12)(13,14)(15,16,17)(18,19)/rA:26OCNCCCNCCCCCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s5s14;s3s15;s2;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2421143;PubChemAID:767428,PMID:23932792,2013.0,PMID:23932792;PubChemAID:767428,2013;2014,1;0,0,0,0,0;1,,=,  5.470;  5.474,5.472,0.002,0.002,2.0,5.472,0.002
-RIYSYRWQPZAUDK_on_Q13255_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2418364;CHEMBL2418364;72163432,O=C(N1CC2CN(c3ccccn3)CC2C1)C12CC3CC(CC(C3)C1)C2,RIYSYRWQPZAUDK,RIYSYRWQPZAUDK-UHFFFAOYSA-N,"InChI=1S/C22H29N3O/c26-21(22-8-15-5-16(9-22)7-17(6-15)10-22)25-13-18-11-24(12-19(18)14-25)20-3-1-2-4-23-20/h1-4,15-19H,5-14H2","""AuxInfo=1/0/N:10,11,9,12,20,22,24,26,18,25,6,14,4,16,21,19,23,5,15,8,2,17,13,7,3,1/E:(5,6,7)(8,9,10)(11,12)(13,14)(15,16,17)(18,19)/rA:26OCNCCCNCCCCCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;s5s14;s3s15;s2;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;CHEMBL2421151;PubChemAID:767436,PMID:23932792,2013.0,PMID:23932792;PMID:23932792;PubChemAID:767436,2013;2013;2014,1;1;0,0,0,0,0;0;1,,=,  7.070;  7.070;  7.071,7.07,0.0,0.0,3.0,7.07,0.0
-RIZCOMVUYITXDY_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628085,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ncco1,RIZCOMVUYITXDY,RIZCOMVUYITXDY-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O4/c19-13-9-10(21-15(23)16-20-7-8-26-16)5-6-14(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,24,25,21,4,12,11,19,7,2,22,17,9,20,23,3,8,1,18,10,26/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCNCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-RJBCUDCEKIJILT_on_Q05586_WT,Low,ChEMBL30,CHEMBL4284122,c1ccc(CNC2CCc3c(CC2)nccc3)cc1,RJBCUDCEKIJILT,RJBCUDCEKIJILT-UHFFFAOYSA-N,"InChI=1S/C17H20N2/c1-2-5-14(6-3-1)13-19-16-9-8-15-7-4-12-18-17(15)11-10-16/h1-7,12,16,19H,8-11,13H2","""AuxInfo=1/0/N:1,2,19,16,3,18,17,9,8,13,12,15,5,4,10,7,11,14,6/E:(2,3)(5,6)/rA:19CCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s7s12;s11;d14;s15;s10d16;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-RJBCUDCEKIJILT_on_Q13224_WT,Low,ChEMBL30,CHEMBL4284122,c1ccc(CNC2CCc3c(CC2)nccc3)cc1,RJBCUDCEKIJILT,RJBCUDCEKIJILT-UHFFFAOYSA-N,"InChI=1S/C17H20N2/c1-2-5-14(6-3-1)13-19-16-9-8-15-7-4-12-18-17(15)11-10-16/h1-7,12,16,19H,8-11,13H2","""AuxInfo=1/0/N:1,2,19,16,3,18,17,9,8,13,12,15,5,4,10,7,11,14,6/E:(2,3)(5,6)/rA:19CCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;s7s12;s11;d14;s15;s10d16;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-RJBGLIPDAQINLT_on_P14867_WT,Low,ChEMBL30,CHEMBL4090978,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3cnco3)ncn-21,RJBGLIPDAQINLT,RJBGLIPDAQINLT-UHFFFAOYSA-N,"InChI=1S/C22H14N4O/c1-2-15-8-9-18-17(10-15)21(16-6-4-3-5-7-16)24-11-19-22(25-13-26(18)19)20-12-23-14-27-20/h1,3-10,12-14H,11H2","""AuxInfo=1/0/N:1,2,13,12,14,11,15,4,5,8,17,21,26,23,3,10,7,6,18,20,9,19,22,16,25,27,24/E:(4,5)(6,7)/rA:27CCCCCCCCCCCCCCCNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-RJBGLIPDAQINLT_on_P18507_WT,Low,ChEMBL30,CHEMBL4090978,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3cnco3)ncn-21,RJBGLIPDAQINLT,RJBGLIPDAQINLT-UHFFFAOYSA-N,"InChI=1S/C22H14N4O/c1-2-15-8-9-18-17(10-15)21(16-6-4-3-5-7-16)24-11-19-22(25-13-26(18)19)20-12-23-14-27-20/h1,3-10,12-14H,11H2","""AuxInfo=1/0/N:1,2,13,12,14,11,15,4,5,8,17,21,26,23,3,10,7,6,18,20,9,19,22,16,25,27,24/E:(4,5)(6,7)/rA:27CCCCCCCCCCCCCCCNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-RJBGLIPDAQINLT_on_P28472_WT,Low,ChEMBL30,CHEMBL4090978,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3cnco3)ncn-21,RJBGLIPDAQINLT,RJBGLIPDAQINLT-UHFFFAOYSA-N,"InChI=1S/C22H14N4O/c1-2-15-8-9-18-17(10-15)21(16-6-4-3-5-7-16)24-11-19-22(25-13-26(18)19)20-12-23-14-27-20/h1,3-10,12-14H,11H2","""AuxInfo=1/0/N:1,2,13,12,14,11,15,4,5,8,17,21,26,23,3,10,7,6,18,20,9,19,22,16,25,27,24/E:(4,5)(6,7)/rA:27CCCCCCCCCCCCCCCNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-RJBGLIPDAQINLT_on_P34903_WT,Low,ChEMBL30,CHEMBL4090978,C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3cnco3)ncn-21,RJBGLIPDAQINLT,RJBGLIPDAQINLT-UHFFFAOYSA-N,"InChI=1S/C22H14N4O/c1-2-15-8-9-18-17(10-15)21(16-6-4-3-5-7-16)24-11-19-22(25-13-26(18)19)20-12-23-14-27-20/h1,3-10,12-14H,11H2","""AuxInfo=1/0/N:1,2,13,12,14,11,15,4,5,8,17,21,26,23,3,10,7,6,18,20,9,19,22,16,25,27,24/E:(4,5)(6,7)/rA:27CCCCCCCCCCCCCCCNCCCCCNCONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;d22;s20s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-RJBVHPLCEYDBFA_on_O00591_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_O14764_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P14867_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P18505_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P18507_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P28472_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P31644_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P34903_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P47869_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P47870_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P48169_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_P78334_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_Q16445_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJBVHPLCEYDBFA_on_Q99928_WT,Low,ChEMBL30,CHEMBL193230,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12,RJBVHPLCEYDBFA,RJBVHPLCEYDBFA-UHFFFAOYSA-N,"InChI=1S/C15H9FN4O2/c16-10-6-2-1-5-9(10)13-14(21)19-12-8-4-3-7-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:19,18,8,7,20,17,9,6,14,15,4,5,13,11,2,16,3,21,10,22,12,1/rA:22OCNCCCCCCNCOCCCFCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;s15;d17;s18;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RJDUDNJPUMXPBA_on_Q14416_WT,High,ChEMBL30,CHEMBL4103808,Cc1cc(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)ccn1,RJDUDNJPUMXPBA,RJDUDNJPUMXPBA-UHFFFAOYSA-N,"InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/h4-10,12,14H,2-3,11H2,1H3","""AuxInfo=1/0/N:1,23,24,28,29,30,27,31,26,3,21,9,2,22,10,4,11,7,6,20,12,17,13,8,14,15,16,32,19,18,25,5/E:(2,3)(25,26,27)/rA:32CCCCOCCFCCCCCFFFCNNCCCCCNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s13;s13;s12;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s11d26;s10;s6d28;d4;s30;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.150;  7.250;  8.040,7.813,0.401,0.28300000000000003,3.0,8.04,0.11
-RJKFUGNIAJCTRI_on_P41594_WT,Medium,ChEMBL30,CHEMBL363108,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(F)cccc2F)c1,RJKFUGNIAJCTRI,RJKFUGNIAJCTRI-UHFFFAOYSA-N,InChI=1S/C18H10F3N5/c19-12-8-11(17-14(20)4-3-5-15(17)21)9-13(10-12)26-24-18(23-25-26)16-6-1-2-7-22-16/h1-10H,"""AuxInfo=1/0/N:13,12,22,21,23,14,11,26,16,3,17,2,4,19,24,9,18,8,1,20,25,10,7,15,6,5/E:(4,5)(14,15)(20,21)/rA:26FCCCNNNCCNCCCCNCCCCFCCCCFC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;s19;d21;s22;s18d23;s24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-RJMDBPXEXJQOLC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL521175,CC1CN(Cc2ccc(-c3ccc(CN(C)C)cc3)cc2)C(=O)O1,RJMDBPXEXJQOLC,RJMDBPXEXJQOLC-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c1-15-12-22(20(23)24-15)14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-21(2)3/h4-11,15H,12-14H2,1-3H3","""AuxInfo=1/0/N:1,16,17,12,18,7,21,11,19,8,20,3,14,5,2,13,6,10,9,22,15,4,23,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:24CCCNCCCCCCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s13;s10d18;s9;s6d20;s4;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-RJNFLJNUEOERRU_on_P14867_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-RJNFLJNUEOERRU_on_P18507_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.940;  7.870;  7.880;  7.720,7.853,0.081,0.047,4.0,7.875,0.035
-RJNFLJNUEOERRU_on_P28472_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.940;  7.870;  7.720;  7.880,7.853,0.081,0.047,4.0,7.875,0.035
-RJNFLJNUEOERRU_on_P31644_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-RJNFLJNUEOERRU_on_P34903_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-RJNFLJNUEOERRU_on_P47869_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-RJNFLJNUEOERRU_on_Q16445_WT,Low,ChEMBL30,CHEMBL173339,CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2,RJNFLJNUEOERRU,RJNFLJNUEOERRU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3","""AuxInfo=1/0/N:1,10,9,16,15,11,19,5,17,13,14,8,3,7,18,6,2,4,12/rA:19CNCOCNCCCCCSCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;d10;s8s11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-RJVKYPKTQHDJII_on_P41594_WT,Medium,ChEMBL30,CHEMBL184519,COc1ncc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cn1,RJVKYPKTQHDJII,RJVKYPKTQHDJII-UHFFFAOYSA-N,"InChI=1S/C17H12FN7O/c1-26-17-20-9-12(10-21-17)11-6-13(18)8-14(7-11)25-23-16(22-24-25)15-4-2-3-5-19-15/h2-10H,1H3","""AuxInfo=1/0/N:1,21,20,22,19,8,24,11,5,25,7,6,9,12,17,16,3,10,18,4,26,15,23,14,13,2/E:(9,10)(20,21)/rA:26COCNCCCCCFCCNNNCCNCCCCNCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s13d16;s7d12;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-RJYBKFKHBUDDSN_on_P31644_WT,High,ChEMBL30,CHEMBL3676508,Cc1c(COc2cc(C(=O)NCC(F)(F)F)ccn2)c(-c2ccccc2)no1,RJYBKFKHBUDDSN,RJYBKFKHBUDDSN-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-12-15(17(25-28-12)13-5-3-2-4-6-13)10-27-16-9-14(7-8-23-16)18(26)24-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,23,25,22,26,17,18,7,4,12,2,21,8,3,6,20,9,13,14,15,16,19,11,27,10,5,28/E:(3,4)(5,6)(20,21,22)/rA:28CCCCOCCCCONCCFFFCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s13;s13;d8;s17;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-RJZREMJRJAYQCL_on_Q05586_WT,Low,ChEMBL30,CHEMBL68134,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3)CC1)n2,RJZREMJRJAYQCL,RJZREMJRJAYQCL-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20/h1-6,12,14,25H,7-11,13H2,(H,22,23)","""AuxInfo=1/1/N:21,20,22,19,7,6,13,23,12,24,15,3,10,14,16,2,17,5,4,9,18,8,25,11,1/E:(7,8)(9,10)/rA:25OCCCCCCNCCNCCCCCCFCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s17;d19;s20;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  9.070;  8.010,8.54,0.53,0.53,2.0,8.54,0.53
-RJZREMJRJAYQCL_on_Q13224_WT,Low,ChEMBL30,CHEMBL68134,Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3)CC1)n2,RJZREMJRJAYQCL,RJZREMJRJAYQCL-UHFFFAOYSA-N,"InChI=1S/C20H22FN3O/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20/h1-6,12,14,25H,7-11,13H2,(H,22,23)","""AuxInfo=1/1/N:21,20,22,19,7,6,13,23,12,24,15,3,10,14,16,2,17,5,4,9,18,8,25,11,1/E:(7,8)(9,10)/rA:25OCCCCCCNCCNCCCCCCFCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;s17;d19;s20;s16d21;s14;s11s23;s4d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  8.010;  9.070,8.54,0.53,0.53,2.0,8.54,0.53
-RKAXYUZQFLSKQW_on_P31644_WT,High,ChEMBL30,CHEMBL3681416,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(F)cc2)no1,RKAXYUZQFLSKQW,RKAXYUZQFLSKQW-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,28,8,24,27,7,14,18,15,17,19,4,2,22,9,25,13,3,6,21,10,26,20,12,29,11,16,5,30/E:(2,3)(5,6)(8,9)(10,11)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-RKBRDSPEJMNTGE_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2112582;10587622,NC(CCc1ccccc1)(C(=O)O)C1CC1C(=O)O,RKBRDSPEJMNTGE,RKBRDSPEJMNTGE-UHFFFAOYSA-N,"InChI=1S/C14H17NO4/c15-14(13(18)19,11-8-10(11)12(16)17)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:8,7,9,6,10,4,3,15,5,16,14,17,11,2,1,18,19,12,13/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;s2;s14;s14s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203;PubChemAID:108816,PMID:9464366,1998.0,PMID:9464367;PubChemAID:108816,1998;2010,1;0,0,0,0,0;1,,=,  6.070;  6.071,6.071000000000001,0.0,0.0,2.0,6.071000000000001,0.0
-RKBRDSPEJMNTGE_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112582,NC(CCc1ccccc1)(C(=O)O)C1CC1C(=O)O,RKBRDSPEJMNTGE,RKBRDSPEJMNTGE-UHFFFAOYSA-N,"InChI=1S/C14H17NO4/c15-14(13(18)19,11-8-10(11)12(16)17)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:8,7,9,6,10,4,3,15,5,16,14,17,11,2,1,18,19,12,13/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s11;s2;s14;s14s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-RKELFFMWEVPSMO_on_Q05586_WT,Low,ChEMBL30,CHEMBL160027,N=C(C=Cc1cc(F)c(F)cc1)NCc1ccccc1,RKELFFMWEVPSMO,RKELFFMWEVPSMO-UHFFFAOYSA-N,"InChI=1S/C16H14F2N2/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:18,17,19,16,20,12,4,11,3,6,14,5,15,9,7,2,10,8,1,13/E:(2,3)(4,5)/rA:20NCCCCCCFCFCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-RKELFFMWEVPSMO_on_Q13224_WT,Low,ChEMBL30,CHEMBL160027,N=C(C=Cc1cc(F)c(F)cc1)NCc1ccccc1,RKELFFMWEVPSMO,RKELFFMWEVPSMO-UHFFFAOYSA-N,"InChI=1S/C16H14F2N2/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20)","""AuxInfo=1/1/N:18,17,19,16,20,12,4,11,3,6,14,5,15,9,7,2,10,8,1,13/E:(2,3)(4,5)/rA:20NCCCCCCFCFCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-RKNNQMRATSYLMB_on_P41594_WT,High,ChEMBL30,CHEMBL452618,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3F)nn2)CC1,RKNNQMRATSYLMB,RKNNQMRATSYLMB-UHFFFAOYSA-N,"InChI=1S/C17H20FN5O2/c1-17(2,3)25-16(24)22-9-6-12(7-10-22)14-11-23(21-20-14)15-13(18)5-4-8-19-15/h4-6,8,11H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,10,24,17,9,25,13,11,20,12,15,6,2,21,16,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCNCCCCFNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-RKNNQMRATSYLMB_on_Q13255_WT,High,ChEMBL30,CHEMBL452618,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3F)nn2)CC1,RKNNQMRATSYLMB,RKNNQMRATSYLMB-UHFFFAOYSA-N,"InChI=1S/C17H20FN5O2/c1-17(2,3)25-16(24)22-9-6-12(7-10-22)14-11-23(21-20-14)15-13(18)5-4-8-19-15/h4-6,8,11H,7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,10,24,17,9,25,13,11,20,12,15,6,2,21,16,23,22,8,14,7,5/E:(1,2,3)/rA:25CCCCOCONCCCCCNCNCCCCFNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-RKNXXSOFHBIZJU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403704;51049976,O=C(c1cnc(C#Cc2ccccc2)s1)N1CCCCC1,RKNXXSOFHBIZJU,RKNXXSOFHBIZJU-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS/c20-17(19-11-5-2-6-12-19)15-13-18-16(21-15)10-9-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,11-12H2","""AuxInfo=1/0/N:12,19,11,13,18,20,10,14,8,7,17,21,4,9,3,6,2,5,16,1,15/E:(3,4)(5,6)(7,8)(11,12)/rA:21OCCCNCCCCCCCCCSNCCCCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s3s6;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405210;PubChemAID:759025,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759025,2013;2014,0,1;0,0,0,0;1,,=,  8.210;  8.215,8.213,0.002,0.002,2.0,8.213,0.002
-RKSUNQHPGFRQHL_on_P14867_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-RKSUNQHPGFRQHL_on_P18507_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.580;  7.230;  6.320;  6.140,6.567,0.413,0.239,4.0,6.45,0.22
-RKSUNQHPGFRQHL_on_P28472_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.230;  6.580;  6.140;  6.320,6.568,0.413,0.239,4.0,6.45,0.22
-RKSUNQHPGFRQHL_on_P31644_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-RKSUNQHPGFRQHL_on_P34903_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-RKSUNQHPGFRQHL_on_P47869_WT,Low,ChEMBL30,CHEMBL362014,O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1,RKSUNQHPGFRQHL,RKSUNQHPGFRQHL-UHFFFAOYSA-N,"InChI=1S/C22H23N5O2/c28-17-11-10-16(23-17)12-29-22-19-14-8-6-13(7-9-14)18(19)21-25-24-20(27(21)26-22)15-4-2-1-3-5-15/h1-5,13-14,16H,6-12H2,(H,23,28)","""AuxInfo=1/1/N:15,14,16,13,17,25,27,24,28,4,3,6,26,23,12,5,2,21,22,11,20,8,29,18,19,9,10,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:29OCCCCCOCNNCCCCCCCNNCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-RKUIZVUZCGJMEE_on_P31644_WT,High,ChEMBL30,CHEMBL3681434,CNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,RKUIZVUZCGJMEE,RKUIZVUZCGJMEE-UHFFFAOYSA-N,"InChI=1S/C18H14F3N3O3/c1-22-17(25)12-7-8-14(23-9-12)26-10-13-15(11-5-3-2-4-6-11)24-27-16(13)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,23,22,24,21,25,6,7,27,10,20,5,11,8,19,12,3,13,14,15,16,2,26,18,4,9,17/E:(3,4)(5,6)(19,20,21)/rA:27CNCOCCCCOCCCCFFFONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s13;s13;s13;s12;s17;s11d18;s19;d20;s21;d22;s23;s20d24;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-RKWZHLJYVXAQQP_on_P18507_WT,Low,ChEMBL30,CHEMBL1078957,Cc1c2Cn3ncnc3-c3c(cccc3F)-n2cn1,RKWZHLJYVXAQQP,RKWZHLJYVXAQQP-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCFNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RKWZHLJYVXAQQP_on_P28472_WT,Low,ChEMBL30,CHEMBL1078957,Cc1c2Cn3ncnc3-c3c(cccc3F)-n2cn1,RKWZHLJYVXAQQP,RKWZHLJYVXAQQP-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCFNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RKWZHLJYVXAQQP_on_P31644_WT,Low,ChEMBL30,CHEMBL1078957,Cc1c2Cn3ncnc3-c3c(cccc3F)-n2cn1,RKWZHLJYVXAQQP,RKWZHLJYVXAQQP-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCFNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RKXGEVUMNLOCDX_on_P14867_WT,Low,ChEMBL30,CHEMBL487685,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccncc3)c2)nc1,RKXGEVUMNLOCDX,RKXGEVUMNLOCDX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,4,13,12,17,21,18,20,15,22,24,16,14,10,7,11,5,8,19,23,6,9/E:(7,8)(9,10)/rA:24CCCCCOCCOCCCCCCCCCNCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-RKXGEVUMNLOCDX_on_P18507_WT,Low,ChEMBL30,CHEMBL487685,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccncc3)c2)nc1,RKXGEVUMNLOCDX,RKXGEVUMNLOCDX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,4,13,12,17,21,18,20,15,22,24,16,14,10,7,11,5,8,19,23,6,9/E:(7,8)(9,10)/rA:24CCCCCOCCOCCCCCCCCCNCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-RKXGEVUMNLOCDX_on_P47870_WT,Low,ChEMBL30,CHEMBL487685,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccncc3)c2)nc1,RKXGEVUMNLOCDX,RKXGEVUMNLOCDX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,4,13,12,17,21,18,20,15,22,24,16,14,10,7,11,5,8,19,23,6,9/E:(7,8)(9,10)/rA:24CCCCCOCCOCCCCCCCCCNCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.410,9.41,0.0,0.0,1.0,9.41,0.0
-RKXWYPUEOQNZBV_on_P41594_WT,High,ChEMBL30,CHEMBL1808868,O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1,RKXWYPUEOQNZBV,RKXWYPUEOQNZBV-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(9-15)16-7-6-14(10-22-16)17-5-2-8-23(17)19(24)18-11-21-12-25-18/h1,3-4,6-7,9-12,17H,2,5,8H2","""AuxInfo=1/0/N:19,10,18,20,11,14,15,9,23,25,4,6,17,13,21,16,12,3,2,22,5,24,8,1,7/rA:25OCCCNCSNCCCCCCCCCCCCCClCNC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s8s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s21;s17d21;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  8.050;  6.960,7.505,0.545,0.545,2.0,7.505,0.545
-RKZJNKQLGZCYCR_on_P31644_WT,High,ChEMBL30,CHEMBL3676464,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccc2)no1,RKZJNKQLGZCYCR,RKZJNKQLGZCYCR-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-12-15(17(25-28-12)13-5-3-2-4-6-13)10-27-16-8-7-14(9-23-16)18(26)24-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,18,4,13,2,21,9,3,6,20,10,14,15,16,17,19,12,27,11,5,28/E:(3,4)(5,6)(20,21,22)/rA:28CCCCOCCCCCONCCFFFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-RLCKXOCECMYUNN_on_P41594_WT,High,ChEMBL30,CHEMBL257881,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(Cl)ccc2)n1,RLCKXOCECMYUNN,RLCKXOCECMYUNN-UHFFFAOYSA-N,"InChI=1S/C17H10ClF3N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)6-5-12-3-2-4-14(18)7-12/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,21,22,20,15,14,17,11,3,5,2,16,6,18,13,12,7,19,8,9,10,23,4/E:(19,20,21)/rA:23CCCNCCCFFFCCCCCCCCClCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;d18;s20;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-RLDHUUSTKGDPRN_on_Q05586_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL401849;44443053,Cc1c(Cl)cc2nc(O)c(O)nc2c1N(CCO)S(C)(=O)=O,RLDHUUSTKGDPRN,RLDHUUSTKGDPRN-UHFFFAOYSA-N,"InChI=1S/C12H14ClN3O5S/c1-6-7(13)5-8-9(15-12(19)11(18)14-8)10(6)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)","""AuxInfo=1/1/N:1,20,16,17,5,2,3,6,13,14,8,10,4,7,12,15,18,9,11,21,22,19/E:(20,21)/CRV:22.6/rA:22CCCClCCNCOCONCCNCCOSCOO/rB:s1;d2;s3;s3;d5;s6;d7;s8;s8;s10;d10;s6s12;s2d13;s14;s15;s16;s17;s15;s19;d19;d19;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322;PubChemAID:308473,PMID:17562362,2007.0,PMID:17562362;PubChemAID:308473,2007;2010,1;0,0,0,0,0;1,,=,  7.850;  7.854,7.852,0.002,0.002,2.0,7.852,0.002
-RLDMJJVJPFZHJC_on_P31644_WT,High,ChEMBL30,CHEMBL3676475,Cc1cc(CNC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)c(O)nn1,RLDMJJVJPFZHJC,RLDMJJVJPFZHJC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O4/c1-14-10-18(23(30)27-26-14)12-25-22(29)17-8-9-20(24-11-17)31-13-19-15(2)32-28-21(19)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,25,29)(H,27,30)","""AuxInfo=1/1/N:1,17,24,23,25,22,26,10,11,3,28,5,14,2,16,21,9,4,15,12,20,7,29,27,6,32,31,19,8,30,13,18/E:(4,5)(6,7)/rA:32CCCCCNCOCCCCOCCCCONCCCCCCCNCCONN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;s14;d15;s16;s16;s18;s15d19;s20;d21;s22;d23;s24;s21d25;s12;s9d27;d4;s29;s29;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-RLFKILXOLJVUNF_on_P14867_WT,Medium,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RLFKILXOLJVUNF_on_P18507_WT,Low,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL685337;CHEMBL822162;CHEMBL823761;CHEMBL824294;CHEMBL681248;CHEMBL678329;CHEMBL682251,PMID:9651158,1998.0,PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039,2000;1998;1998;1998;1998;2000;2000;2000,0,0,0,1,0,,=,  8.220;  8.220;  7.910;  8.120;  7.820;  7.820;  7.910;  8.120,8.017000000000001,0.16,0.06,8.0,8.015,0.15
-RLFKILXOLJVUNF_on_P28472_WT,Low,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL685337;CHEMBL681480;CHEMBL822162;CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL823761,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158,1998;1998;2000;1998;2000;2000;2000;1998,0,0,0,1,0,,=,  7.820;  8.220;  8.220;  7.910;  7.820;  8.120;  7.910;  8.120,8.017000000000001,0.16,0.06,8.0,8.015,0.15
-RLFKILXOLJVUNF_on_P31644_WT,Medium,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9651158,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-RLFKILXOLJVUNF_on_P34903_WT,Low,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823761,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  8.120;  8.120,8.12,0.0,0.0,2.0,8.12,0.0
-RLFKILXOLJVUNF_on_P47869_WT,Low,ChEMBL30,CHEMBL454095,COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2,RLFKILXOLJVUNF,RLFKILXOLJVUNF-UHFFFAOYSA-N,"InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,26,25,27,24,28,19,18,29,13,22,3,9,23,20,16,4,17,14,15,5,6,12,30,7,2,21,8/E:(1,2)(5,6)(7,8)/rA:30COCCCCOOCCCNCCCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5;d12;s13;s4d14;s15;d16;s17;d18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s16d20;s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  7.820;  7.820,7.82,0.0,0.0,2.0,7.82,0.0
-RLFQLTJPNOLRRT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44410034;CHEMBL206579,Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2cccc(C#N)c2)c1,RLFQLTJPNOLRRT,RLFQLTJPNOLRRT-UHFFFAOYSA-N,"InChI=1S/C23H16N2O3/c1-15-9-18(25-22(26)20-7-2-3-8-21(20)23(25)27)12-19(10-15)28-14-17-6-4-5-16(11-17)13-24/h2-12H,14H2,1H3","""AuxInfo=1/0/N:1,11,12,22,23,21,10,13,3,28,27,16,25,19,2,24,20,4,17,9,8,14,6,26,5,15,7,18/E:(2,3)(7,8)(20,21)(22,23)(26,27)/rA:28CCCCNCOCCCCCCCOCCOCCCCCCCNCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s5s9;d14;d4;s16;s17;s18;s19;d20;s21;d22;s23;s24;t25;s20d24;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  8.222;  8.220,8.221,0.001,0.001,2.0,8.221,0.001
-RLKPTPBBRCFHEK_on_O00591_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_O14764_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P14867_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P18505_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P18507_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P28472_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P31644_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P34903_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P47869_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P47870_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P48169_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_P78334_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_Q16445_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLKPTPBBRCFHEK_on_Q99928_WT,Low,ChEMBL30,CHEMBL184176,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I,RLKPTPBBRCFHEK,RLKPTPBBRCFHEK-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2F3IN3S/c1-21-10-7(17)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(14,15)16/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,12,13,14,21,19,4,5,2/E:(2,3)(5,6)(12,13)(14,15,16)/rA:21CSCNNCCClCCCFFFCCClCNCI/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RLVCOLMHEOZGAK_on_P41594_WT,High,ChEMBL30,CHEMBL2403647,Cc1nc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)cs1,RLVCOLMHEOZGAK,RLVCOLMHEOZGAK-UHFFFAOYSA-N,"InChI=1S/C19H15N3OS2/c1-13-20-16(12-24-13)19(23)22-10-9-15-17(11-22)25-18(21-15)8-7-14-5-3-2-4-6-14/h2-6,12H,9-11H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,16,15,9,8,12,24,2,17,10,4,11,14,5,3,23,7,6,25,13/E:(3,4)(5,6)/rA:25CCNCCONCCCCCSCCCCCCCCCNCS/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;d4;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-RLYBUNYSHBYSGB_on_P41594_WT,High,ChEMBL30,CHEMBL3597602,Cc1nc(C#CC=C2CCN(c3ncc(-c4ccccc4)cc3C#N)CC2)ccc1,RLYBUNYSHBYSGB,RLYBUNYSHBYSGB-UHFFFAOYSA-N,"InChI=1S/C26H22N4/c1-20-7-5-11-25(29-20)12-6-8-21-13-15-30(16-14-21)26-23(18-27)17-24(19-28-26)22-9-3-2-4-10-22/h2-5,7-11,17,19H,13-16H2,1H3","""AuxInfo=1/0/N:1,19,18,20,29,6,30,7,17,21,28,5,9,27,10,26,22,24,14,2,8,16,23,15,4,12,25,13,3,11/E:(3,4)(9,10)(13,14)(15,16)/rA:30CCNCCCCCCCNCNCCCCCCCCCCCNCCCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s15;s12d22;s23;t24;s11;s8s26;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  9.300;  8.010,8.655,0.645,0.645,2.0,8.655,0.645
-RMAIMPQJIXZAGX_on_P41594_WT,High,ChEMBL30,CHEMBL3605290,Cn1c(C(=O)N2CCc3c(C2)oc(COc2ccccc2)n3)cc2c1cccc2,RMAIMPQJIXZAGX,RMAIMPQJIXZAGX-UHFFFAOYSA-N,"InChI=1S/C23H21N3O3/c1-25-19-10-6-5-7-16(19)13-20(25)23(27)26-12-11-18-21(14-26)29-22(24-18)15-28-17-8-3-2-4-9-17/h2-10,13H,11-12,14-15H2,1H3","""AuxInfo=1/0/N:1,19,18,20,28,27,29,17,21,26,8,7,23,11,14,24,16,9,25,3,10,13,4,22,2,6,5,15,12/E:(3,4)(8,9)/rA:29CNCCONCCCCCOCCOCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s6s10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s9d13;d3;s23;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.290;  6.290,6.29,0.0,0.0,2.0,6.29,0.0
-RMBCFIFYALRQKK_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171703,Cc1nc(C(=O)Nc2nc(CO)ccc2)c(Nc2cccnc2)s1,RMBCFIFYALRQKK,RMBCFIFYALRQKK-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2S/c1-10-18-14(16(24-10)20-11-5-3-7-17-8-11)15(23)21-13-6-2-4-12(9-22)19-13/h2-8,20,22H,9H2,1H3,(H,19,21,23)","""AuxInfo=1/1/N:1,14,20,13,19,15,21,23,11,2,18,10,8,4,5,16,22,3,9,17,7,12,6,24/rA:24CCNCCONCNCCOCCCCNCCCCNCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;s11;d10;s13;s8d14;d4;s16;s17;d18;s19;d20;s21;s18d22;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-RMFRINBLHMRFLI_on_P14867_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-RMFRINBLHMRFLI_on_P18507_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.400;  6.140;  6.770;  6.890,6.55,0.298,0.172,4.0,6.585,0.245
-RMFRINBLHMRFLI_on_P28472_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL681841;CHEMBL676826;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770;  6.400;  6.140;  6.890,6.55,0.298,0.172,4.0,6.585,0.245
-RMFRINBLHMRFLI_on_P31644_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-RMFRINBLHMRFLI_on_P34903_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-RMFRINBLHMRFLI_on_P47869_WT,Low,ChEMBL30,CHEMBL53642,N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1,RMFRINBLHMRFLI,RMFRINBLHMRFLI-UHFFFAOYSA-N,"InChI=1S/C23H15N5O/c24-14-16-7-6-8-17(13-16)15-29-23-20-12-5-4-11-19(20)22-26-25-21(28(22)27-23)18-9-2-1-3-10-18/h1-13H,15H2","""AuxInfo=1/0/N:17,16,18,27,26,5,4,6,15,19,28,25,29,2,8,3,7,14,23,24,13,22,10,1,20,21,11,12,9/E:(2,3)(9,10)/rA:29NCCCCCCCOCNNCCCCCCCNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-RMGFIVKKLZZKNY_on_O00591_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_O14764_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P14867_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P18505_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P18507_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P28472_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P31644_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P34903_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P47869_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P47870_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P48169_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_P78334_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_Q16445_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGFIVKKLZZKNY_on_Q99928_WT,Low,ChEMBL30,CHEMBL187912,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1,RMGFIVKKLZZKNY,RMGFIVKKLZZKNY-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2F3N5OS/c1-5-21-12(25-23-5)9-11(20)24(22-13(9)26-2)10-7(15)3-6(4-8(10)16)14(17,18)19/h3-4H,20H2,1-2H3","""AuxInfo=1/0/N:24,1,9,15,23,10,7,16,20,6,18,21,3,11,8,17,12,13,14,19,22,4,25,5,26,2/E:(3,4)(7,8)(15,16)(17,18,19)/rA:26CSCNNCCClCCCFFFCCClCNCCNCCNO/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s23;d23;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RMGRVWWGRIGWRJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676434,COCCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1,RMGRVWWGRIGWRJ,RMGRVWWGRIGWRJ-UHFFFAOYSA-N,"InChI=1S/C19H26N4O4/c1-13-15(18(23-27-13)16-5-3-4-8-20-16)12-26-17-7-6-14(11-22-17)19(24)21-9-10-25-2/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:16,1,22,23,21,9,10,24,4,3,27,13,15,8,14,20,11,19,6,25,5,26,18,7,2,12,17/rA:27COCCNCOCCCCOCCCCONCCCCCCNNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s15;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-RMHPCHYFYYECLH_on_Q14833_WT,High,ExCAPE-DB,56587815,Clc1cccc(Nc2noc3cccnc23)c1,RMHPCHYFYYECLH,RMHPCHYFYYECLH-UHFFFAOYSA-N,"InChI=1S/C12H8ClN3O/c13-8-3-1-4-9(7-8)15-12-11-10(17-16-12)5-2-6-14-11/h1-7H,(H,15,16)","""AuxInfo=1/1/N:4,13,3,5,12,14,17,2,6,11,16,8,1,15,7,9,10/rA:17ClCCCCCNCNOCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  6.602,6.602,0.0,0.0,1.0,6.602,0.0
-RMIXADNMIFYCBX_on_P41594_WT,Low,ChEMBL30,CHEMBL224377,CCc1ccc(-n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)cc1,RMIXADNMIFYCBX,RMIXADNMIFYCBX-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCOCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RMIXADNMIFYCBX_on_Q13255_WT,High,ChEMBL30,CHEMBL224377,CCc1ccc(-n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)cc1,RMIXADNMIFYCBX,RMIXADNMIFYCBX-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCOCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-RMKZNKPXZVSVQV_on_P41594_WT,High,ChEMBL30,CHEMBL2151494,O=C(C1CCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,RMKZNKPXZVSVQV,RMKZNKPXZVSVQV-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c19-15-8-4-7-13(9-15)16-20-17(24-21-16)14-10-22(11-14)18(23)12-5-2-1-3-6-12/h4,7-9,12,14H,1-3,5-6,10-11H2","""AuxInfo=1/0/N:6,5,7,17,4,8,16,18,21,10,24,3,15,11,19,14,12,2,20,13,22,9,1,23/E:(2,3)(5,6)(10,11)/rA:24OCCCCCCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-RMMSBUXVKLWQSQ_on_P41594_WT,High,ChEMBL30,CHEMBL2151489,Cc1cc(-c2noc(C3CN(C(=O)C4CCC4)C3)n2)ccc1,RMMSBUXVKLWQSQ,RMMSBUXVKLWQSQ-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-11-4-2-7-13(8-11)15-18-16(22-19-15)14-9-20(10-14)17(21)12-5-3-6-12/h2,4,7-8,12,14H,3,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,21,16,22,15,17,20,3,10,18,2,14,4,9,5,8,12,19,6,11,13,7/E:(5,6)(9,10)/rA:22CCCCCNOCCCNCOCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s14s16;s9s11;s5d8;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-RMNTXVHSVPDCSC_on_P18507_WT,Low,ChEMBL30,CHEMBL1783263,CCC(C)NC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RMNTXVHSVPDCSC,RMNTXVHSVPDCSC-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-5-12(2)23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-11-13(27-3)9-10-17(16)28-4/h6-12H,5H2,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,4,21,16,2,24,23,25,18,17,22,3,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-RMNTXVHSVPDCSC_on_P28472_WT,Low,ChEMBL30,CHEMBL1783263,CCC(C)NC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RMNTXVHSVPDCSC,RMNTXVHSVPDCSC-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-5-12(2)23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-11-13(27-3)9-10-17(16)28-4/h6-12H,5H2,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,4,21,16,2,24,23,25,18,17,22,3,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-RMNTXVHSVPDCSC_on_P47869_WT,Low,ChEMBL30,CHEMBL1783263,CCC(C)NC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,RMNTXVHSVPDCSC,RMNTXVHSVPDCSC-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-5-12(2)23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-11-13(27-3)9-10-17(16)28-4/h6-12H,5H2,1-4H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,4,21,16,2,24,23,25,18,17,22,3,19,12,26,13,14,27,11,8,6,28,5,10,9,7,20,15/rA:28CCCCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;s15;s14;d17;s18;s19;s20;s13d19;d12;s23;d24;s11s25;s8d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-RMPSDPZBGHYHQZ_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681888,Clc1ccccc1COc1c2cnc3c(cccc3)c2nn1-c1cc2c(cc1)OCO2,RMPSDPZBGHYHQZ,RMPSDPZBGHYHQZ-UHFFFAOYSA-N,"InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2","""AuxInfo=1/0/N:5,17,4,18,6,16,3,19,28,27,24,12,8,30,7,23,15,11,2,14,26,25,20,10,1,13,21,22,9,29,31/rA:31ClCCCCCCCOCCCNCCCCCCCNNCCCCCCOCO/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;d12;s13;d14;s15;d16;s17;s14d18;s11s15;d20;s10s21;s22;d23;s24;d25;s26;s23d27;s26;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-RMPSDPZBGHYHQZ_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681888,Clc1ccccc1COc1c2cnc3c(cccc3)c2nn1-c1cc2c(cc1)OCO2,RMPSDPZBGHYHQZ,RMPSDPZBGHYHQZ-UHFFFAOYSA-N,"InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2","""AuxInfo=1/0/N:5,17,4,18,6,16,3,19,28,27,24,12,8,30,7,23,15,11,2,14,26,25,20,10,1,13,21,22,9,29,31/rA:31ClCCCCCCCOCCCNCCCCCCCNNCCCCCCOCO/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;d12;s13;d14;s15;d16;s17;s14d18;s11s15;d20;s10s21;s22;d23;s24;d25;s26;s23d27;s26;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-RMVXVAVGZPZRGU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71712882;CHEMBL2403685,O=C(C1CCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,RMVXVAVGZPZRGU,RMVXVAVGZPZRGU-UHFFFAOYSA-N,"InChI=1S/C19H18N2OS/c22-19(15-7-4-8-15)21-12-11-16-17(13-21)23-18(20-16)10-9-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,11-13H2","""AuxInfo=1/0/N:20,19,21,5,18,22,4,6,16,15,9,8,12,17,3,10,11,14,2,23,7,1,13/E:(2,3)(5,6)(7,8)/rA:23OCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759035;CHEMBL2405252,PMID:23770058,2013.0,PubChemAID:759035;PMID:23770058,2014;2013,0;1,0,0,0,1;0,,=,  6.432;  6.430,6.431,0.001,0.001,2.0,6.431,0.001
-RNEJFUFEMICGEG_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159558,N=C(NCc1cc(Cl)ccc1)c1ccc(C(F)(F)F)cc1,RNEJFUFEMICGEG,RNEJFUFEMICGEG-UHFFFAOYSA-N,"InChI=1S/C15H12ClF3N2/c16-13-3-1-2-10(8-13)9-21-14(20)11-4-6-12(7-5-11)15(17,18)19/h1-8H,9H2,(H2,20,21)","""AuxInfo=1/1/N:10,11,9,13,21,14,20,6,4,5,12,15,7,2,16,8,17,18,19,1,3/E:(4,5)(6,7)(17,18,19)/rA:21NCNCCCCClCCCCCCCCFFFCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s16;s16;s16;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  7.500;  7.700,7.6,0.1,0.1,2.0,7.6,0.1
-RNGJMJZHZIDZHG_on_Q14416_WT,High,ChEMBL30,CHEMBL4098939,NC1(C(=O)O)CC(NC(=O)c2ccccc2Cl)C2C(C(=O)O)C21,RNGJMJZHZIDZHG,RNGJMJZHZIDZHG-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-4-2-1-3-6(7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,16,7,18,19,23,9,20,3,2,17,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCClCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  7.370;  6.410,6.89,0.48,0.48,2.0,6.89,0.48
-RNGJMJZHZIDZHG_on_Q14832_WT,High,ChEMBL30,CHEMBL4098939,NC1(C(=O)O)CC(NC(=O)c2ccccc2Cl)C2C(C(=O)O)C21,RNGJMJZHZIDZHG,RNGJMJZHZIDZHG-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O5/c16-7-4-2-1-3-6(7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,16,7,18,19,23,9,20,3,2,17,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCClCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.300;  7.560,7.93,0.37,0.37,2.0,7.93,0.37
-RNIPAWUERMKGSL_on_Q14833_WT,High,ChEMBL30,CHEMBL1209744,Nc1nccc(C=Cc2cnccc2)n1,RNIPAWUERMKGSL,RNIPAWUERMKGSL-UHFFFAOYSA-N,"InChI=1S/C11H10N4/c12-11-14-7-5-10(15-11)4-3-9-2-1-6-13-8-9/h1-8H,(H2,12,14,15)","""AuxInfo=1/1/N:13,14,8,7,5,12,4,10,9,6,2,1,11,3,15/rA:15NCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-RNJMIJHYCDJJMZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL483750,CC1CN(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1,RNJMIJHYCDJJMZ,RNJMIJHYCDJJMZ-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3","""AuxInfo=1/0/N:1,7,19,8,18,11,12,17,3,5,2,6,9,10,15,13,20,16,14,4,21,22/E:(2,3)(4,5)/rA:22CCCNCCCCCCCCCFCClCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-RNKKNRNIWQWELC_on_P41594_WT,High,ChEMBL30,CHEMBL2365251,Cc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,RNKKNRNIWQWELC,RNKKNRNIWQWELC-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17/h4-8,10-12,16H,9H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:13,1,22,28,29,27,26,25,11,18,20,12,2,17,19,10,24,4,5,16,8,6,3,7,23,15,21,9,14/rA:29CCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s8;s10;s10s11;s12;s6;s14;s5d15;s16;d17;s18;d19;s20;s21;s21;s19d23;s24;s17d25;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-RNKKNRNIWQWELC_on_Q13255_WT,High,ChEMBL30,CHEMBL2365251,Cc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,RNKKNRNIWQWELC,RNKKNRNIWQWELC-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17/h4-8,10-12,16H,9H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:13,1,22,28,29,27,26,25,11,18,20,12,2,17,19,10,24,4,5,16,8,6,3,7,23,15,21,9,14/rA:29CCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s8;s10;s10s11;s12;s6;s14;s5d15;s16;d17;s18;d19;s20;s21;s21;s19d23;s24;s17d25;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-RNOLFZACEWWIHP_on_O15399_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_O60391_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_Q05586_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_Q12879_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_Q13224_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNOLFZACEWWIHP_on_Q14957_WT,Low,ChEMBL30,CHEMBL21641,Oc1nc2c(cc(Cl)cc2)nc1O,RNOLFZACEWWIHP,RNOLFZACEWWIHP-UHFFFAOYSA-N,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)","""AuxInfo=1/1/N:9,10,6,7,4,5,2,12,8,3,11,1,13/rA:13OCNCCCCClCCNCO/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s5;s2d11;s12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-RNRFUOUNPXTIRO_on_Q13255_WT,High,ChEMBL30,CHEMBL2397368,CC1CN(c2cccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,RNRFUOUNPXTIRO,RNRFUOUNPXTIRO-UHFFFAOYSA-N,"InChI=1S/C21H29N3O/c1-15-14-23(19-3-2-4-22-13-19)5-6-24(15)20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-4,13,15-18H,5-12,14H2,1H3","""AuxInfo=1/0/N:1,7,6,8,11,12,19,21,23,25,17,24,10,3,2,20,18,22,5,14,16,9,4,13,15/E:(7,8,9)(10,11,12)(16,17,18)/rA:25CCCNCCCCNCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.220;  6.220,6.22,0.0,0.0,2.0,6.22,0.0
-RNWMPXWQZJHDBY_on_Q14833_WT,Low,ChEMBL30,CHEMBL514352,Cc1c(NN=Cc2ccc(F)cc2)nc2ccccc2n1,RNWMPXWQZJHDBY,RNWMPXWQZJHDBY-UHFFFAOYSA-N,"InChI=1S/C16H13FN4/c1-11-16(20-15-5-3-2-4-14(15)19-11)21-18-10-12-6-8-13(17)9-7-12/h2-10H,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,19,16,8,13,9,12,6,2,7,10,20,15,3,11,5,21,14,4/E:(6,7)(8,9)/rA:21CCCNNCCCCCFCCNCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s3;d14;s15;d16;s17;d18;s15s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL948800,PMID:19097893,2009.0,PMID:19097893,2009,0,1,0,0,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-RNWRRQVSNDRPHV_on_Q14416_WT,High,ChEMBL30,CHEMBL2029800,CC(C)CCn1ccc(-c2ccc(Oc3ccncc3)cc2)c(C#N)c1=O,RNWRRQVSNDRPHV,RNWRRQVSNDRPHV-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-16(2)9-13-25-14-10-20(21(15-23)22(25)26)17-3-5-18(6-4-17)27-19-7-11-24-12-8-19/h3-8,10-12,14,16H,9,13H2,1-2H3","""AuxInfo=1/0/N:1,3,11,22,12,21,16,20,4,8,17,19,5,7,24,2,10,13,15,9,23,26,25,18,6,27,14/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:27CCCCCNCCCCCCCOCCCNCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-RODJWDCTFWIGQR_on_O15399_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.490;  6.630;  6.750,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_O60391_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.750;  6.490;  6.630,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.630;  6.750;  6.490,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_Q05586_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.750;  6.490;  6.630,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_Q12879_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.490;  6.630;  6.750,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_Q13224_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.490;  6.630;  6.750,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-RODJWDCTFWIGQR_on_Q14957_WT,Low,ChEMBL30,CHEMBL145968,CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1,RODJWDCTFWIGQR,RODJWDCTFWIGQR-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:13,1,18,21,22,20,4,5,15,23,14,3,16,6,8,10,7,11,9,12,19,2,17/rA:23CSCCCCClCNCNNCCCCS+CO-CCCC/rB:s1;s2;d3;s4;d5;s6;s6;s8;s9;d10;s10;s12;s12;d14;s15;s16;s17;s17;d16;s20;s14d21;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751685,PMID:11229757,2001.0,PMID:11229757,2001,0,0,0,1,0,,=,  6.490;  6.630;  6.750,6.622999999999999,0.106,0.075,3.0,6.63,0.12
-ROGPEABKZPMVEJ_on_P18507_WT,Low,ChEMBL30,CHEMBL257155,CCOC(O)=C(C=Nc1ccc(OCC)cc1)C(=O)c1c(Cl)cccc1,ROGPEABKZPMVEJ,ROGPEABKZPMVEJ-UHFFFAOYSA-N,"InChI=1S/C20H20ClNO4/c1-3-25-15-11-9-14(10-12-15)22-13-17(20(24)26-4-2)19(23)16-7-5-6-8-18(16)21/h5-13,24H,3-4H2,1-2H3","""AuxInfo=1/0/N:15,1,14,2,25,24,26,23,10,17,11,16,7,9,12,20,6,21,18,4,22,8,19,5,13,3/E:(9,10)(11,12)/rA:26CCOCOCCNCCCCOCCCCCOCCClCCCC/rB:s1;s2;s3;s4;w?4;s6;w?7;s8;d9;s10;d11;s12;s13;s14;s12;s9d16;s6;d18;s18;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL926874,PMID:17470817,2007.0,PMID:17470817,2007,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ROGPEABKZPMVEJ_on_P28472_WT,Low,ChEMBL30,CHEMBL257155,CCOC(O)=C(C=Nc1ccc(OCC)cc1)C(=O)c1c(Cl)cccc1,ROGPEABKZPMVEJ,ROGPEABKZPMVEJ-UHFFFAOYSA-N,"InChI=1S/C20H20ClNO4/c1-3-25-15-11-9-14(10-12-15)22-13-17(20(24)26-4-2)19(23)16-7-5-6-8-18(16)21/h5-13,24H,3-4H2,1-2H3","""AuxInfo=1/0/N:15,1,14,2,25,24,26,23,10,17,11,16,7,9,12,20,6,21,18,4,22,8,19,5,13,3/E:(9,10)(11,12)/rA:26CCOCOCCNCCCCOCCCCCOCCClCCCC/rB:s1;s2;s3;s4;w?4;s6;w?7;s8;d9;s10;d11;s12;s13;s14;s12;s9d16;s6;d18;s18;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL926874,PMID:17470817,2007.0,PMID:17470817,2007,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ROGPEABKZPMVEJ_on_P47869_WT,Low,ChEMBL30,CHEMBL257155,CCOC(O)=C(C=Nc1ccc(OCC)cc1)C(=O)c1c(Cl)cccc1,ROGPEABKZPMVEJ,ROGPEABKZPMVEJ-UHFFFAOYSA-N,"InChI=1S/C20H20ClNO4/c1-3-25-15-11-9-14(10-12-15)22-13-17(20(24)26-4-2)19(23)16-7-5-6-8-18(16)21/h5-13,24H,3-4H2,1-2H3","""AuxInfo=1/0/N:15,1,14,2,25,24,26,23,10,17,11,16,7,9,12,20,6,21,18,4,22,8,19,5,13,3/E:(9,10)(11,12)/rA:26CCOCOCCNCCCCOCCCCCOCCClCCCC/rB:s1;s2;s3;s4;w?4;s6;w?7;s8;d9;s10;d11;s12;s13;s14;s12;s9d16;s6;d18;s18;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL926874,PMID:17470817,2007.0,PMID:17470817,2007,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ROICTGBZJUBLFR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3974279,Cc1cc(Cl)ccc1-c1cc(C(N)=O)nc2c1cccc2,ROICTGBZJUBLFR,ROICTGBZJUBLFR-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O/c1-10-8-11(18)6-7-12(10)14-9-16(17(19)21)20-15-5-3-2-4-13(14)15/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,19,20,18,21,6,7,3,10,2,4,8,17,9,16,11,12,5,13,15,14/rA:21CCCCClCCCCCCCNONCCCCCC/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s10;s11;s12;d12;d11;s15;s9d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-ROJABBWXQCHJSU_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163034,O=C(O)c1c(CN2CC(=O)N(c3ccccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,ROJABBWXQCHJSU,ROJABBWXQCHJSU-UHFFFAOYSA-N,"InChI=1S/C19H13Cl2N3O4/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h1-7,22H,8-9H2,(H,26,27)","""AuxInfo=1/1/N:15,14,16,13,17,25,22,6,8,23,12,5,26,21,9,20,4,2,18,24,27,28,7,11,10,1,3,19/E:(2,3)(4,5)(26,27)/rA:28OCOCCCNCCONCCCCCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s7s11;d18;s5;d20;s21;d22;s23;s23;s20d25;s26;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ROMYZYIIOINCPT_on_P41594_WT,Low,ChEMBL30,CHEMBL373060,Cc1nc(C#Cc2cccc(F)c2)co1,ROMYZYIIOINCPT,ROMYZYIIOINCPT-UHFFFAOYSA-N,"InChI=1S/C12H8FNO/c1-9-14-12(8-15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,13,14,2,7,11,4,12,3,15/rA:15CCNCCCCCCCCFCCO/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ROOMEZGVPRLVJD_on_P41594_WT,High,ChEMBL30,CHEMBL3702368,COc1cccc(C2=NCC(=O)N3CCc4c(cc(Cl)cc4OC)C3=C2)c1,ROOMEZGVPRLVJD,ROOMEZGVPRLVJD-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O3/c1-26-15-5-3-4-13(8-15)18-11-19-17-9-14(22)10-20(27-2)16(17)6-7-24(19)21(25)12-23-18/h3-5,8-11H,6-7,12H2,1-2H3","""AuxInfo=1/0/N:1,24,5,6,4,15,14,27,18,21,26,10,7,19,3,16,17,8,25,22,11,20,9,13,12,2,23/rA:27COCCCCCCNCCONCCCCCCClCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s23;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-ROOMEZGVPRLVJD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702368,COc1cccc(C2=NCC(=O)N3CCc4c(cc(Cl)cc4OC)C3=C2)c1,ROOMEZGVPRLVJD,ROOMEZGVPRLVJD-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O3/c1-26-15-5-3-4-13(8-15)18-11-19-17-9-14(22)10-20(27-2)16(17)6-7-24(19)21(25)12-23-18/h3-5,8-11H,6-7,12H2,1-2H3","""AuxInfo=1/0/N:1,24,5,6,4,15,14,27,18,21,26,10,7,19,3,16,17,8,25,22,11,20,9,13,12,2,23/rA:27COCCCCCCNCCONCCCCCCClCCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s23;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ROOSHFSVNCXONY_on_Q14416_WT,High,ChEMBL30,CHEMBL3973949,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1,ROOSHFSVNCXONY,ROOSHFSVNCXONY-UHFFFAOYSA-N,"InChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29)","""AuxInfo=1/1/N:23,22,24,16,8,13,9,12,15,27,5,18,17,7,10,14,6,28,4,20,25,2,11,1,29,19,21,26,3/E:(2,3)(5,6)(7,8)(20,21)(27,28)/rA:29NCOCCCCCCCFCCCCCCCNCOCCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s23;s19s24;d25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-ROOSHFSVNCXONY_on_Q14832_WT,Low,ChEMBL30,CHEMBL3973949,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1,ROOSHFSVNCXONY,ROOSHFSVNCXONY-UHFFFAOYSA-N,"InChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29)","""AuxInfo=1/1/N:23,22,24,16,8,13,9,12,15,27,5,18,17,7,10,14,6,28,4,20,25,2,11,1,29,19,21,26,3/E:(2,3)(5,6)(7,8)(20,21)(27,28)/rA:29NCOCCCCCCCFCCCCCCCNCOCCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s23;s19s24;d25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ROPKMNXHDXXSTG_on_P41594_WT,High,ChEMBL30,CHEMBL3644377,O=C1CN=C(n2cnc(C3(O)COC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccc3,ROPKMNXHDXXSTG,ROPKMNXHDXXSTG-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O3/c25-21-5-4-15(9-26-21)16-2-1-3-18-17(16)6-7-30-19(18)8-22(27-10-23(30)31)29-11-20(28-14-29)24(32)12-33-13-24/h1-5,8-9,11,14,32H,6-7,10,12-13H2","""AuxInfo=1/0/N:32,31,33,25,26,20,21,16,30,3,15,12,14,7,24,23,19,18,17,9,27,5,2,10,28,29,4,8,6,22,1,11,13/E:(12,13)/rA:33OCCNCNCNCCOCOCCCCCCCCNCCCCCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;d24;s25;d26;s27;s27;s24d29;d23;s31;s18d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-ROPKMNXHDXXSTG_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644377,O=C1CN=C(n2cnc(C3(O)COC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccc3,ROPKMNXHDXXSTG,ROPKMNXHDXXSTG-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O3/c25-21-5-4-15(9-26-21)16-2-1-3-18-17(16)6-7-30-19(18)8-22(27-10-23(30)31)29-11-20(28-14-29)24(32)12-33-13-24/h1-5,8-9,11,14,32H,6-7,10,12-13H2","""AuxInfo=1/0/N:32,31,33,25,26,20,21,16,30,3,15,12,14,7,24,23,19,18,17,9,27,5,2,10,28,29,4,8,6,22,1,11,13/E:(12,13)/rA:33OCCNCNCNCCOCOCCCCCCCCNCCCCCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;d24;s25;d26;s27;s27;s24d29;d23;s31;s18d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RORTXKIKOLHPKX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901707,COC1CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C,RORTXKIKOLHPKX,RORTXKIKOLHPKX-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O3/c1-20(2)17(25-3)13-23(19(24)26-20)18-10-9-15(12-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-12,17H,13H2,1-3H3","""AuxInfo=1/0/N:25,26,1,14,13,15,11,10,8,7,18,19,4,12,9,16,3,6,21,24,17,20,5,22,2,23/E:(1,2)/rA:26COCCNCCCCCCCCCCCFCCNCOOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;d21;s21;s3s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-RORYOHMUDRYOLU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106714,COc1cc(-c2nc(-c3ccnc(CF)c3)c3CCOC(C)Cn23)ccc1Cl,RORYOHMUDRYOLU,RORYOHMUDRYOLU-UHFFFAOYSA-N,"InChI=1S/C21H21ClFN3O2/c1-13-12-26-18(6-8-28-13)20(14-5-7-24-16(9-14)11-23)25-21(26)15-3-4-17(22)19(10-15)27-2/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:22,1,25,26,10,18,11,19,16,4,14,23,21,9,5,13,27,17,3,8,6,28,15,12,7,24,2,20/rA:28COCCCCNCCCCNCCFCCCCOCCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s14;s9d13;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-ROVACBZWABKJSI_on_P41594_WT,High,ChEMBL30,CHEMBL3671836,Cc1cccc(C(=O)NC23CCCC(NC(=O)c4ccncc4)(CC2)C3)c1,ROVACBZWABKJSI,ROVACBZWABKJSI-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)","""AuxInfo=1/1/N:1,4,12,3,5,19,23,13,11,24,25,20,22,27,26,2,18,6,16,7,14,10,21,15,9,17,8/E:(6,7)(12,13)/rA:27CCCCCCCONCCCCCNCOCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s10s24;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706070;CHEMBL3706069,PATENT:US8921370B2,2014.0,PATENT:US8921370B2,2014,0;1,0,0,1;0,0,,=,  6.550;  7.460,7.005,0.455,0.455,2.0,7.005,0.455
-ROXGFQYZOZRHGK_on_P41594_WT,High,ChEMBL30,CHEMBL205571,Cc1nc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)ccc1,ROXGFQYZOZRHGK,ROXGFQYZOZRHGK-UHFFFAOYSA-N,"InChI=1S/C16H11Cl2N3S/c1-10-3-2-4-14(20-10)16-19-8-7-15(21-16)22-11-5-6-12(17)13(18)9-11/h2-9H,1H3","""AuxInfo=1/0/N:1,21,22,20,12,13,8,7,18,2,11,14,16,4,9,5,15,17,6,3,19,10/rA:22CCNCCNCCCSCCCCClCClCNCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s14;s16;s11d16;s5d9;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-ROYXZNLIRKKGRO_on_P41594_WT,Medium,ChEMBL30,CHEMBL361917,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccc(Cl)cc2)c1,ROYXZNLIRKKGRO,ROYXZNLIRKKGRO-UHFFFAOYSA-N,InChI=1S/C18H11ClFN5/c19-14-6-4-12(5-7-14)13-9-15(20)11-16(10-13)25-23-18(22-24-25)17-3-1-2-8-21-17/h1-11H,"""AuxInfo=1/0/N:13,12,14,19,24,20,23,11,25,16,3,18,17,21,2,4,9,8,22,1,10,7,15,6,5/E:(4,5)(6,7)/rA:25FCCCNNNCCNCCCCNCCCCCCClCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s21;s18d23;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-RPAHYTMYVHVWCK_on_Q14416_WT,High,ChEMBL30,CHEMBL3913281,CCCc1c(OCc2ccc(Oc3nccc(-c4n[nH]nn4)c3)cc2)ccc(C(C)=O)c1O,RPAHYTMYVHVWCK,RPAHYTMYVHVWCK-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-4-20-21(10-9-19(15(2)30)23(20)31)32-14-16-5-7-18(8-6-16)33-22-13-17(11-12-25-22)24-26-28-29-27-24/h5-13,31H,3-4,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,3,9,25,10,24,27,26,16,15,23,7,29,8,17,11,28,4,5,13,32,18,14,19,22,20,21,31,33,6,12/E:(5,6)(7,8)(26,27)(28,29)/rA:33CCCCCOCCCCCOCNCCCCNNNNCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s17;d18;s19;s20;s18d21;s13d17;s11;s8d24;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RPBJCAXNIIFIFD_on_Q05586_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL248439;44443067,COCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O,RPBJCAXNIIFIFD,RPBJCAXNIIFIFD-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3O5S/c1-22-4-3-17(23(2,20)21)10-8(14)6(13)5-7-9(10)16-12(19)11(18)15-7/h5H,3-4H2,1-2H3,(H,15,18)(H,16,19)","""AuxInfo=1/1/N:1,21,4,3,15,16,14,18,7,6,11,9,17,19,13,8,5,12,10,22,23,2,20/E:(20,21)/CRV:23.6/rA:23COCCNCCNCOCONCCCClCClSCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;s18;s5;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322;PubChemAID:308473,PMID:17562362,2007.0,PMID:17562362;PubChemAID:308473,2007;2010,1;0,0,0,0,0;1,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-RPEKYFVVWRUAQX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3983519,Clc1cc(Nc2c3ncccc3n[nH]2)cnc1N1CCOCC1,RPEKYFVVWRUAQX,RPEKYFVVWRUAQX-UHFFFAOYSA-N,"InChI=1S/C15H15ClN6O/c16-11-8-10(9-18-15(11)22-4-6-23-7-5-22)19-14-13-12(20-21-14)2-1-3-17-13/h1-3,8-9H,4-7H2,(H2,19,20,21)","""AuxInfo=1/1/N:10,11,9,19,23,20,22,3,15,4,2,12,7,6,17,1,8,16,5,13,14,18,21/E:(4,5)(6,7)/rA:23ClCCCNCCNCCCCNNCNCNCCOCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-RPFPGJOGYALKPN_on_P14867_WT,Low,ChEMBL30,CHEMBL4086946,Oc1c(Cc2ccccc2)cnc2c(-c3ncccc3)cnn12,RPFPGJOGYALKPN,RPFPGJOGYALKPN-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,23H,10H2","""AuxInfo=1/0/N:8,7,9,19,18,6,10,20,17,4,11,21,5,3,14,15,13,2,16,12,22,23,1/E:(2,3)(6,7)/rA:23OCCCCCCCCCCNCCCNCCCCCNN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3;d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;d21;s2s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3994334,PMID:28237554,2017.0,PMID:28237554,2017,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RPFPGJOGYALKPN_on_P18507_WT,Low,ChEMBL30,CHEMBL4086946,Oc1c(Cc2ccccc2)cnc2c(-c3ncccc3)cnn12,RPFPGJOGYALKPN,RPFPGJOGYALKPN-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,23H,10H2","""AuxInfo=1/0/N:8,7,9,19,18,6,10,20,17,4,11,21,5,3,14,15,13,2,16,12,22,23,1/E:(2,3)(6,7)/rA:23OCCCCCCCCCCNCCCNCCCCCNN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3;d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;d21;s2s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3994334,PMID:28237554,2017.0,PMID:28237554,2017,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RPFPGJOGYALKPN_on_P47870_WT,Low,ChEMBL30,CHEMBL4086946,Oc1c(Cc2ccccc2)cnc2c(-c3ncccc3)cnn12,RPFPGJOGYALKPN,RPFPGJOGYALKPN-UHFFFAOYSA-N,"InChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,23H,10H2","""AuxInfo=1/0/N:8,7,9,19,18,6,10,20,17,4,11,21,5,3,14,15,13,2,16,12,22,23,1/E:(2,3)(6,7)/rA:23OCCCCCCCCCCNCCCNCCCCCNN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s3;d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;d21;s2s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3994334,PMID:28237554,2017.0,PMID:28237554,2017,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-RPFYRYJYWKHVAR_on_P31644_WT,High,ChEMBL30,CHEMBL3681526,Cc1c(COc2ccc(C(=O)N3CCCC3)cn2)c(-c2ccccc2)no1,RPFYRYJYWKHVAR,RPFYRYJYWKHVAR-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-15-18(20(23-27-15)16-7-3-2-4-8-16)14-26-19-10-9-17(13-22-19)21(25)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12,14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,14,15,21,25,8,7,13,16,17,4,2,20,9,3,6,19,10,18,26,12,11,5,27/E:(3,4)(5,6)(7,8)(11,12)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s12s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-RPGWGTLMQJSDOB_on_P41594_WT,Medium,ChEMBL30,CHEMBL468526,Cc1nc(NC(=O)c2cc(F)cc(F)c2)ccc1,RPGWGTLMQJSDOB,RPGWGTLMQJSDOB-UHFFFAOYSA-N,"InChI=1S/C13H10F2N2O/c1-8-3-2-4-12(16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18)","""AuxInfo=1/1/N:1,17,18,16,9,15,12,2,8,10,13,4,6,11,14,3,5,7/E:(5,6)(10,11)(14,15)/rA:18CCNCNCOCCCFCCFCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s13;s8d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-RPIJRXONNHCMCR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3957303,O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)cc2F)nc1)c1ccccn1,RPIJRXONNHCMCR,RPIJRXONNHCMCR-UHFFFAOYSA-N,"InChI=1S/C15H10ClFN4O3S/c16-10-4-5-14(12(17)7-10)25(23,24)21-9-11(8-19-21)20-15(22)13-3-1-2-6-18-13/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,12,11,24,15,19,5,13,4,16,20,10,2,14,17,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCClCCFNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-RPLPGRIRLNMVSG_on_Q14416_WT,High,ChEMBL30,CHEMBL1669377,CCCn1ccc2c(c(Cl)cc(N3CCOCC3)c2)c1=O,RPLPGRIRLNMVSG,RPLPGRIRLNMVSG-UHFFFAOYSA-N,"InChI=1S/C16H19ClN2O2/c1-2-4-19-5-3-12-10-13(18-6-8-21-9-7-18)11-14(17)15(12)16(19)20/h3,5,10-11H,2,4,6-9H2,1H3","""AuxInfo=1/0/N:1,2,6,3,5,14,18,15,17,19,11,7,12,9,8,20,10,13,4,21,16/E:(6,7)(8,9)/rA:21CCCNCCCCCClCCNCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s13s17;s7d12;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671548;CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.600;  5.300,5.45,0.15,0.15,2.0,5.45,0.15
-RPLUYUVVTJOMJF_on_P31644_WT,High,ChEMBL30,CHEMBL3681521,Cc1c(COc2ccc(C(=O)NCCCCCO)cn2)c(-c2ccccc2)no1,RPLUYUVVTJOMJF,RPLUYUVVTJOMJF-UHFFFAOYSA-N,"InChI=1S/C22H25N3O4/c1-16-19(21(25-29-16)17-8-4-2-5-9-17)15-28-20-11-10-18(14-24-20)22(27)23-12-6-3-7-13-26/h2,4-5,8-11,14,26H,3,6-7,12-13,15H2,1H3,(H,23,27)","""AuxInfo=1/1/N:1,25,15,24,26,14,16,23,27,8,7,13,17,19,4,2,22,9,3,6,21,10,12,20,28,18,11,5,29/E:(4,5)(8,9)/rA:29CCCCOCCCCCONCCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-RPMBYDYUVKEZJA_on_Q05586_WT,Low,ChEMBL30,CHEMBL27673,COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,RPMBYDYUVKEZJA,RPMBYDYUVKEZJA-UHFFFAOYSA-N,"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3","""AuxInfo=1/0/N:1,42,21,22,20,23,14,29,13,30,6,37,5,38,19,24,15,28,12,31,7,36,4,39,18,25,16,27,11,32,9,34,8,35,3,40,17,26,10,33,2,41/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42COCCCCCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;d35;s36;d37;s38;s35d39;s40;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-RPMBYDYUVKEZJA_on_Q12879_WT,Low,ChEMBL30,CHEMBL27673,COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC,RPMBYDYUVKEZJA,RPMBYDYUVKEZJA-UHFFFAOYSA-N,"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3","""AuxInfo=1/0/N:1,42,21,22,20,23,14,29,13,30,6,37,5,38,19,24,15,28,12,31,7,36,4,39,18,25,16,27,11,32,9,34,8,35,3,40,17,26,10,33,2,41/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42COCCCCCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;d35;s36;d37;s38;s35d39;s40;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-RPOGBBRGHWMBAF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403672;71712728,CCN1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2,RPOGBBRGHWMBAF,RPOGBBRGHWMBAF-UHFFFAOYSA-N,"InChI=1S/C16H15FN2S/c1-2-19-9-8-14-15(11-19)20-16(18-14)7-6-12-4-3-5-13(17)10-12/h3-5,10H,2,8-9,11H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,12,11,5,4,19,8,13,17,6,7,10,18,20,3,9/rA:20CCNCCCCCSCCCCCCCCFCN/rB:s1;s2;s3;s4;s5;d6;s3s7;s7;s9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  7.140;  7.143,7.141,0.002,0.002,2.0,7.141,0.002
-RPQBRHRQPZEGIT_on_P41594_WT,High,ChEMBL30,CHEMBL1258544,N#Cc1cccnc1N1CCc2c(C1)nc(-c1ccccn1)o2,RPQBRHRQPZEGIT,RPQBRHRQPZEGIT-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-15-14(11-22)21-17(23-15)13-5-1-2-7-19-13/h1-5,7-8H,6,9,11H2","""AuxInfo=1/0/N:19,20,5,4,18,11,21,6,10,2,14,3,17,13,12,8,16,1,22,7,15,9,23/rA:23NCCCCCNCNCCCCCNCCCCCCNO/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s9s13;s13;d15;s16;d17;s18;d19;s20;s17d21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-RPVLUEUNSOAELR_on_O15399_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.550;  5.030,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_O60391_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.550;  5.030,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.030;  5.550,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.550;  5.030,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.550;  5.030,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.550;  5.030,5.29,0.26,0.26,2.0,5.29,0.26
-RPVLUEUNSOAELR_on_Q14957_WT,Low,ChEMBL30,CHEMBL1184122,CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N,RPVLUEUNSOAELR,RPVLUEUNSOAELR-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-3-5-10-23(17(19)20)13-15-8-7-9-16(12-15)14-24(18(21)22)11-6-4-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,15,2,14,3,13,20,21,19,4,12,8,6,10,7,9,22,16,23,24,17,18,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCNCCCCCNNCCCCNN/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s11;d16;s16;d9;s19;s7d20;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.030;  5.550,5.29,0.26,0.26,2.0,5.29,0.26
-RPYXHBDWVNJFMK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111987,COc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F,RPYXHBDWVNJFMK,RPYXHBDWVNJFMK-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O3/c1-13-10-15(6-8-26-13)20-17-7-9-30-14(2)12-28(17)21(27-20)16-4-5-18(29-3)19(11-16)31-22(23,24)25/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:15,22,1,5,4,11,18,12,19,16,25,23,14,21,10,6,17,3,26,9,7,28,29,30,31,13,8,24,2,20,27/E:(23,24,25)/rA:31COCCCCCNCCCCNCCCCCCOCCCNCCOCFFF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;s6;s3d25;s26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-RQCRZVPWNJSJSP_on_P14867_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-RQCRZVPWNJSJSP_on_P18507_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273616;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.180;  6.910;  7.350;  7.840,7.32,0.33899999999999997,0.196,4.0,7.265,0.22
-RQCRZVPWNJSJSP_on_P28472_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.840;  6.910;  7.350;  7.180,7.32,0.33899999999999997,0.196,4.0,7.265,0.22
-RQCRZVPWNJSJSP_on_P31644_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-RQCRZVPWNJSJSP_on_P34903_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-RQCRZVPWNJSJSP_on_P47869_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-RQCRZVPWNJSJSP_on_P48169_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.398,5.398,0.0,0.0,1.0,5.398,0.0
-RQCRZVPWNJSJSP_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269930,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1,RQCRZVPWNJSJSP,RQCRZVPWNJSJSP-UHFFFAOYSA-N,"InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3","""AuxInfo=1/0/N:1,3,4,18,19,15,21,10,16,14,20,13,8,11,6,2,17,9,12,7,5/E:(1,2,3)/rA:21CCCCOCOCNCCNCCCCICCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11s14;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.398,5.398,0.0,0.0,1.0,5.398,0.0
-RQIGKOYANZNNEG_on_O00222_WT,High,ChEMBL30,CHEMBL4097544,NC(CCP(=O)(O)C(NCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1)C(=O)O,RQIGKOYANZNNEG,RQIGKOYANZNNEG-UHFFFAOYSA-N,"InChI=1S/C22H24N3O6P/c23-20(22(26)27)11-12-32(30,31)21(16-7-4-9-18(13-16)25(28)29)24-14-17-8-3-6-15-5-1-2-10-19(15)17/h1-10,13,20-21,24H,11-12,14,23H2,(H,26,27)(H,30,31)","""AuxInfo=1/1/N:17,18,13,23,16,14,22,12,24,19,3,4,29,10,15,21,11,25,20,2,8,30,1,9,26,31,32,27,28,6,7,5/E:(26,27)(28,29)(30,31)/CRV:25.5/rA:32NCCCPOOCNCCCCCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;d11;s12;d13;s14;d15;s16;d17;s18;s11s15d19;s8;d21;s22;d23;s24;s25;d26;s26;s21d25;s2;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.450,4.45,0.0,0.0,1.0,4.45,0.0
-RQIGKOYANZNNEG_on_Q14833_WT,High,ChEMBL30,CHEMBL4097544,NC(CCP(=O)(O)C(NCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1)C(=O)O,RQIGKOYANZNNEG,RQIGKOYANZNNEG-UHFFFAOYSA-N,"InChI=1S/C22H24N3O6P/c23-20(22(26)27)11-12-32(30,31)21(16-7-4-9-18(13-16)25(28)29)24-14-17-8-3-6-15-5-1-2-10-19(15)17/h1-10,13,20-21,24H,11-12,14,23H2,(H,26,27)(H,30,31)","""AuxInfo=1/1/N:17,18,13,23,16,14,22,12,24,19,3,4,29,10,15,21,11,25,20,2,8,30,1,9,26,31,32,27,28,6,7,5/E:(26,27)(28,29)(30,31)/CRV:25.5/rA:32NCCCPOOCNCCCCCCCCCCCCCCCCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s9;s10;d11;s12;d13;s14;d15;s16;d17;s18;s11s15d19;s8;d21;s22;d23;s24;s25;d26;s26;s21d25;s2;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-RQLQKJRROLDWRV_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010886,CC(C)NCc1c2nc(-c3ccccc3)[nH]c2ccc1F,RQLQKJRROLDWRV,RQLQKJRROLDWRV-UHFFFAOYSA-N,"InChI=1S/C17H18FN3/c1-11(2)19-10-13-14(18)8-9-15-16(13)21-17(20-15)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,3,13,12,14,11,15,19,18,5,2,10,6,20,17,7,9,21,4,16,8/E:(1,2)(4,5)(6,7)/rA:21CCCNCCCNCCCCCCCNCCCCF/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;d17;s18;s6d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-RQLQKJRROLDWRV_on_Q13224_WT,High,ChEMBL30,CHEMBL2010886,CC(C)NCc1c2nc(-c3ccccc3)[nH]c2ccc1F,RQLQKJRROLDWRV,RQLQKJRROLDWRV-UHFFFAOYSA-N,"InChI=1S/C17H18FN3/c1-11(2)19-10-13-14(18)8-9-15-16(13)21-17(20-15)12-6-4-3-5-7-12/h3-9,11,19H,10H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,3,13,12,14,11,15,19,18,5,2,10,6,20,17,7,9,21,4,16,8/E:(1,2)(4,5)(6,7)/rA:21CCCNCCCNCCCCCCCNCCCCF/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;d17;s18;s6d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-RQSKSHYRVLDTTR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1289681;52950067,O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2Cl)CC1,RQSKSHYRVLDTTR,RQSKSHYRVLDTTR-UHFFFAOYSA-N,"InChI=1S/C19H19Cl2FN2O2/c20-15-1-2-16(17(21)11-15)19(22)5-9-24(10-6-19)18(25)13-26-12-14-3-7-23-8-4-14/h1-4,7-8,11H,5-6,9-10,12-13H2","""AuxInfo=1/0/N:19,18,7,11,14,25,8,10,13,26,22,5,3,6,20,17,23,2,15,21,24,16,9,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:26OCCOCCCCNCCNCCCFCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s20;s17d22;s23;s15;s12s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-RQVLKKWTJBIEOX_on_P14867_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-RQVLKKWTJBIEOX_on_P18507_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681641;CHEMBL681405;CHEMBL685339;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.220;  7.340;  8.330;  7.300,7.547000000000001,0.45399999999999996,0.262,4.0,7.32,0.06
-RQVLKKWTJBIEOX_on_P28472_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL685339;CHEMBL682253;CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.220;  8.330;  7.300;  7.340,7.547999999999999,0.45399999999999996,0.262,4.0,7.32,0.06
-RQVLKKWTJBIEOX_on_P31644_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-RQVLKKWTJBIEOX_on_P34903_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-RQVLKKWTJBIEOX_on_P47869_WT,Low,ChEMBL30,CHEMBL302979,CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1,RQVLKKWTJBIEOX,RQVLKKWTJBIEOX-UHFFFAOYSA-N,"InChI=1S/C16H20N2O2S2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-6-19)22-14(10)11-4-5-17-18-11/h4-5,19H,3,6-9H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,11,20,19,12,10,22,4,21,16,5,7,15,8,2,18,17,13,6,9,14/E:(1,2)/rA:22CCCCCOCCSCCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s12;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-RQWGRBDKUYGAKH_on_Q14833_WT,High,ChEMBL30,CHEMBL3609738,N#Cc1c(Cl)ccc(NC(=O)c2ncccc2)c1,RQWGRBDKUYGAKH,RQWGRBDKUYGAKH-UHFFFAOYSA-N,"InChI=1S/C13H8ClN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)","""AuxInfo=1/1/N:16,15,17,7,6,14,18,2,3,8,4,12,10,5,1,13,9,11/rA:18NCCCClCCCNCOCNCCCCC/rB:t1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.280;  8.280,8.28,0.0,0.0,2.0,8.28,0.0
-RQYNTSCYHSDVMP_on_Q14416_WT,High,ChEMBL30,CHEMBL3901998,CC1(c2ccccc2)CCCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)C1,RQYNTSCYHSDVMP,RQYNTSCYHSDVMP-UHFFFAOYSA-N,"InChI=1S/C24H27F3N4/c1-23(19-6-3-2-4-7-19)11-5-12-30(16-23)15-18-10-13-31-20(14-17-8-9-17)28-29-22(31)21(18)24(25,26)27/h2-4,6-7,10,13,17H,5,8-9,11-12,14-16H2,1H3","""AuxInfo=1/0/N:1,6,5,7,10,4,8,26,27,30,9,11,29,24,13,31,25,14,3,23,15,20,2,16,17,18,19,22,21,12,28/E:(3,4)(6,7)(8,9)(25,26,27)/rA:31CCCCCCCCCCCNCCCCFFFCNNCCCCCNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;d14;s15;s16;s16;s16;s15;d20;s21;d22;s23;s24;s25;s25s26;s20s23;s28;s14d29;s2s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-RQZMFVKQWUAIHP_on_O00222_WT,Medium,ChEMBL30,CHEMBL97200,CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RQZMFVKQWUAIHP,RQZMFVKQWUAIHP-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,3,17,25,18,26,16,24,19,27,4,13,2,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-RQZMFVKQWUAIHP_on_P41594_WT,Low,ChEMBL30,CHEMBL97200,CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RQZMFVKQWUAIHP,RQZMFVKQWUAIHP-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,3,17,25,18,26,16,24,19,27,4,13,2,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RQZMFVKQWUAIHP_on_Q13255_WT,Low,ChEMBL30,CHEMBL97200,CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RQZMFVKQWUAIHP,RQZMFVKQWUAIHP-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,3,17,25,18,26,16,24,19,27,4,13,2,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RQZMFVKQWUAIHP_on_Q14831_WT,Medium,ChEMBL30,CHEMBL97200,CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RQZMFVKQWUAIHP,RQZMFVKQWUAIHP-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,3,17,25,18,26,16,24,19,27,4,13,2,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-RQZMFVKQWUAIHP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL97200,CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RQZMFVKQWUAIHP,RQZMFVKQWUAIHP-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,3,17,25,18,26,16,24,19,27,4,13,2,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-RRAXPPHKWFOGGL_on_O00591_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_O14764_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P14867_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P18505_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P18507_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P28472_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P31644_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P34903_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P47869_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P47870_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P48169_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_P78334_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_Q16445_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRAXPPHKWFOGGL_on_Q99928_WT,Low,ChEMBL30,CHEMBL1205861,O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1,RRAXPPHKWFOGGL,RRAXPPHKWFOGGL-UHFFFAOYSA-N,"InChI=1S/C17H15ClFNO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)","""AuxInfo=1/1/N:5,4,10,15,11,14,20,19,6,23,9,12,21,16,17,2,8,13,22,7,18,1,3/E:(3,4)(5,6)(22,23)/rA:23OCOCCCNCCCCCClCCCCOCCCFC/rB:d1;s2;s2;s4;s5;s6;w?7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;s17;d19;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681334,PMID:7392039,1980.0,PMID:7392039,1980,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-RRBFWLMWOFDFTC_on_Q14416_WT,High,ChEMBL30,CHEMBL361934,CC(C)(C)Cn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2Br,RRBFWLMWOFDFTC,RRBFWLMWOFDFTC-UHFFFAOYSA-N,"InChI=1S/C24H28BrN5O2/c1-24(2,3)16-30-13-12-19-20(30)10-11-21(22(19)25)32-15-5-4-14-31-18-8-6-17(7-9-18)23-26-28-29-27-23/h6-13H,4-5,14-16H2,1-3H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,3,4,17,16,22,29,21,30,11,12,8,7,18,15,5,23,20,9,10,13,31,24,2,32,25,28,26,27,6,19,14/E:(1,2,3)(6,7)(8,9)(26,27)(28,29)/rA:32CCCCCNCCCCCCCOCCCCOCCCCCNNNNCCCBr/rB:s1;s2;s2;s2;s5;s6;d7;s8;s6d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;s9d13;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-RRLDDRHSHCPJQR_on_O00591_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_O14764_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P14867_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P18505_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P18507_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P28472_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P31644_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P34903_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P47869_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P47870_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P48169_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_P78334_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_Q16445_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLDDRHSHCPJQR_on_Q99928_WT,Low,ChEMBL30,CHEMBL133047,O=C1OC=C2CCCNCC12,RRLDDRHSHCPJQR,RRLDDRHSHCPJQR-UHFFFAOYSA-N,"InChI=1S/C8H11NO2/c10-8-7-4-9-3-1-2-6(7)5-11-8/h5,7,9H,1-4H2","""AuxInfo=1/0/N:7,6,8,10,4,5,11,2,9,1,3/rA:11OCOCCCCCNCC/rB:d1;s2;s3;w?4;s5;s6;s7;s8;s9;s2s5s10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  4.250,4.25,0.0,0.0,1.0,4.25,0.0
-RRLQBWPEQZJIGH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3940068,CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C1=O,RRLQBWPEQZJIGH,RRLQBWPEQZJIGH-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-18(2)13-20(17(18)21)16-11-10-15(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,8,7,18,4,12,9,6,20,2,19,5,21/E:(1,2)(4,5)(6,7)/rA:21CCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s2s5;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-RRMSGFQOMZBFTH_on_P18505_WT,Low,ChEMBL30,CHEMBL4244933,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)c1ccccc1,RRMSGFQOMZBFTH,RRMSGFQOMZBFTH-UHFFFAOYSA-N,"InChI=1S/C19H22F2O2/c20-19(21,16(22)15-4-2-1-3-5-15)17(23)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14,16,22H,6-11H2","""AuxInfo=1/0/N:21,20,22,19,23,6,8,10,12,4,11,7,5,9,18,16,2,3,13,14,15,17,1/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(20,21)/rA:23OCCCCCCCCCCCCFFCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RRMSGFQOMZBFTH_on_P47870_WT,Low,ChEMBL30,CHEMBL4244933,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)c1ccccc1,RRMSGFQOMZBFTH,RRMSGFQOMZBFTH-UHFFFAOYSA-N,"InChI=1S/C19H22F2O2/c20-19(21,16(22)15-4-2-1-3-5-15)17(23)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14,16,22H,6-11H2","""AuxInfo=1/0/N:21,20,22,19,23,6,8,10,12,4,11,7,5,9,18,16,2,3,13,14,15,17,1/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(20,21)/rA:23OCCCCCCCCCCCCFFCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RRUVLKVKZHRSAI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3919237,Cn1c(=O)n(CC2CC2(F)F)c2c1nc(C1=CC3CN(C(=O)c4ncco4)CC3C1)cc2,RRUVLKVKZHRSAI,RRUVLKVKZHRSAI-UHFFFAOYSA-N,"InChI=1S/C22H21F2N5O3/c1-27-18-17(29(21(27)31)11-15-8-22(15,23)24)3-2-16(26-18)12-6-13-9-28(10-14(13)7-12)20(30)19-25-4-5-32-19/h2-6,13-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,31,32,25,26,17,30,8,19,28,6,16,18,29,7,15,12,13,23,21,3,9,10,11,24,14,2,20,5,22,4,27/E:(23,24)/rA:32CNCONCCCCFFCCNCCCCCNCOCNCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7s8;s9;s9;s5;s2d12;s13;d14;s15;w?16;s17;s18;s19;s20;d21;s21;d23;s24;d25;s23s26;s20;s18s28;s16s29;s15;s12d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888322;CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.610;  6.910,6.76,0.15,0.15,2.0,6.76,0.15
-RRXBINRLCLVQAK_on_Q14416_WT,High,ChEMBL30,CHEMBL3884187,FC(F)(F)c1c(OC2CC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12,RRXBINRLCLVQAK,RRXBINRLCLVQAK-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O/c22-21(23,24)19-17(28-16-11-15(12-16)14-4-2-1-3-5-14)8-9-27-18(10-13-6-7-13)25-26-20(19)27/h1-5,8-9,13,15-16H,6-7,10-12H2","""AuxInfo=1/0/N:14,13,15,12,16,24,25,18,19,22,9,17,23,11,10,8,6,21,5,28,2,1,3,4,26,27,20,7/E:(2,3)(4,5)(6,7)(11,12)(22,23,24)/rA:28FCFFCCOCCCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s10;s6;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s5s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-RSEAYWTVWYTTML_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3890814,CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4F)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,RSEAYWTVWYTTML,RSEAYWTVWYTTML-UHFFFAOYSA-N,"InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-7-8-15-16(14-5-3-4-6-17(14)24)10-19(21(28)33)29-18(15)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)","""AuxInfo=1/1/N:1,2,16,17,15,18,10,11,28,21,8,6,9,14,12,13,19,27,22,5,23,3,31,20,32,33,34,24,26,30,29,7,25,4/E:(25,26,27)/rA:34CCCOCCNCCCCCCCCCCCCFCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-RSEMKXACIMVTQP_on_O00591_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_O14764_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P14867_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P18505_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P18507_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P28472_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P31644_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P34903_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P47869_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P47870_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P48169_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_P78334_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_Q16445_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSEMKXACIMVTQP_on_Q99928_WT,Low,ChEMBL30,CHEMBL327476,Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2,RSEMKXACIMVTQP,RSEMKXACIMVTQP-UHFFFAOYSA-N,"InChI=1S/C14H11F2N3O2/c15-7-5-6-9-12(11(7)16)21-14(18-9)19-10-4-2-1-3-8(10)17-13(19)20/h5-6H,1-4H2,(H,17,20)","""AuxInfo=1/1/N:8,7,9,6,20,21,18,4,13,5,16,14,2,11,19,17,3,12,10,1,15/rA:21OCNCCCCCCNCNCCOCFCFCC/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s11s14;s14;s16;d16;s18;s18;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-RSENJFCYTSPZME_on_Q14833_WT,High,ChEMBL30,CHEMBL2022871,Fc1ccc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1,RSENJFCYTSPZME,RSENJFCYTSPZME-UHFFFAOYSA-N,InChI=1S/C18H12FN3/c19-14-5-7-15(8-6-14)22-12-13(11-21-22)16-9-10-20-18-4-2-1-3-17(16)18/h1-12H,"""AuxInfo=1/0/N:16,17,15,18,3,22,4,21,10,11,19,7,8,2,5,9,14,13,1,12,20,6/E:(5,6)(7,8)/rA:22FCCCCNCCCCCNCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s9d13;s14;d15;s16;s13d17;s8;s6d19;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-RSJMPFBXAJJTAZ_on_P41594_WT,High,ChEMBL30,CHEMBL2346715,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccc(F)cn1,RSJMPFBXAJJTAZ,RSJMPFBXAJJTAZ-UHFFFAOYSA-N,"InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,6,9,20,19,23,2,4,7,21,18,14,3,15,8,22,24,17,13,11,16/E:(3,4)(5,6)/rA:24CCCCCCCFCCNCNCCONCCCCFCN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.990,7.99,0.0,0.0,1.0,7.99,0.0
-RSKKUEYUIMNSNS_on_P41594_WT,High,ChEMBL30,CHEMBL2338572,CN(C)c1ccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)cc1,RSKKUEYUIMNSNS,RSKKUEYUIMNSNS-UHFFFAOYSA-N,"InChI=1S/C22H26ClN3O2/c1-26(2)20-11-9-15(10-12-20)21(27)24-18-7-4-8-19(14-18)25-22(28)16-5-3-6-17(23)13-16/h3,5-6,9-13,18-19H,4,7-8,14H2,1-2H3,(H,24,27)(H,25,28)","""AuxInfo=1/1/N:1,3,24,13,25,23,12,14,6,27,5,28,20,26,7,19,21,11,15,4,8,17,22,10,16,2,9,18/E:(1,2)(9,10)(11,12)/rA:28CNCCCCCCONCCCCCNCOCCCClCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;s21;d21;s23;s19d24;s11s15;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-RSQMLQSISPEWKA_on_P41594_WT,High,ChEMBL30,CHEMBL3702380,O=C1CN=C(c2ccco2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3,RSQMLQSISPEWKA,RSQMLQSISPEWKA-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c26-22-14-24-19(21-5-2-12-27-21)13-20-18-4-1-3-16(15-6-9-23-10-7-15)17(18)8-11-25(20)22/h1-7,9-10,12-13H,8,11,14H2","""AuxInfo=1/0/N:26,8,25,27,7,20,24,15,21,23,16,9,11,3,19,18,14,13,5,12,6,2,22,4,17,1,10/E:(6,7)(9,10)/rA:27OCCNCCCCCOCCCCCCNCCCCNCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d19;s20;d21;s22;s19d23;d18;s25;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-RSQMLQSISPEWKA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702380,O=C1CN=C(c2ccco2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3,RSQMLQSISPEWKA,RSQMLQSISPEWKA-UHFFFAOYSA-N,"InChI=1S/C22H17N3O2/c26-22-14-24-19(21-5-2-12-27-21)13-20-18-4-1-3-16(15-6-9-23-10-7-15)17(18)8-11-25(20)22/h1-7,9-10,12-13H,8,11,14H2","""AuxInfo=1/0/N:26,8,25,27,7,20,24,15,21,23,16,9,11,3,19,18,14,13,5,12,6,2,22,4,17,1,10/E:(6,7)(9,10)/rA:27OCCNCCCCCOCCCCCCNCCCCNCCCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d19;s20;d21;s22;s19d23;d18;s25;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-RSSKWMLHOKVMPN_on_P41594_WT,High,ChEMBL30,CHEMBL2151496,O=C(C1CCCO1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,RSSKWMLHOKVMPN,RSSKWMLHOKVMPN-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O3/c17-12-4-1-3-10(7-12)14-18-15(23-19-14)11-8-20(9-11)16(21)13-5-2-6-22-13/h1,3-4,7,11,13H,2,5-6,8-9H2","""AuxInfo=1/0/N:16,5,15,17,4,6,20,9,23,14,10,18,3,13,11,2,19,12,21,8,1,7,22/E:(8,9)/rA:23OCCCCCONCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;s8s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-RSTMCQQTCHZGAW_on_Q14833_WT,High,ChEMBL30,CHEMBL4071024,ON=c1cc(-c2ncc3cccnc3c2)oc2c1cccc2,RSTMCQQTCHZGAW,RSTMCQQTCHZGAW-UHFFFAOYSA-N,"InChI=1S/C17H11N3O2/c21-20-14-9-17(22-16-6-2-1-5-12(14)16)15-8-13-11(10-19-15)4-3-7-18-13/h1-10,21H","""AuxInfo=1/0/N:20,21,11,10,19,22,12,15,4,8,9,18,14,3,6,17,5,13,7,2,1,16/rA:22ONCCCCNCCCCCNCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RSTWWWVVJRLAOE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3958765,Clc1cc(Nc2c3ncccc3n[nH]2)ccn1,RSTWWWVVJRLAOE,RSTWWWVVJRLAOE-UHFFFAOYSA-N,"InChI=1S/C11H8ClN5/c12-9-6-7(3-5-13-9)15-11-10-8(16-17-11)2-1-4-14-10/h1-6H,(H2,13,15,16,17)","""AuxInfo=1/1/N:10,11,15,9,16,3,4,12,2,7,6,1,17,8,5,13,14/rA:17ClCCCNCCNCCCCNNCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-RSWCTZNXSACFAL_on_Q14416_WT,High,ChEMBL30,CHEMBL3221837,CCCn1ccc2c(cccc2OCCc2ccc(OC)cc2)c1=O,RSWCTZNXSACFAL,RSWCTZNXSACFAL-UHFFFAOYSA-N,"InChI=1S/C21H23NO3/c1-3-13-22-14-11-18-19(21(22)23)5-4-6-20(18)25-15-12-16-7-9-17(24-2)10-8-16/h4-11,14H,3,12-13,15H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,11,17,23,18,22,6,15,3,5,14,16,19,7,8,12,24,4,25,20,13/E:(7,8)(9,10)/rA:25CCCNCCCCCCCCOCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s19;s16d22;s4s8;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-RSWGJHLUYNHPMX_on_P14867_WT,Low,ChEMBL30,CHEMBL1514489,CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,RSWGJHLUYNHPMX,RSWGJHLUYNHPMX-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)","""AuxInfo=1/1/N:1,3,19,11,16,22,7,21,8,17,15,5,2,4,6,20,9,12,18,10,13,14/E:(1,2)(21,22)/rA:22CCCCCCCCCCCCOOCCCCCCCC/rB:s1;s2;s2;w?4;s5;w?6;s7;s8;s9;s10;s10;d12;s12;s10;s15;s16;s9s17;s18;s6s18;s20;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4321073,PMID:30840453,2019.0,PMID:30840453,2019,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-RSWGJHLUYNHPMX_on_P18507_WT,Low,ChEMBL30,CHEMBL1514489,CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,RSWGJHLUYNHPMX,RSWGJHLUYNHPMX-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)","""AuxInfo=1/1/N:1,3,19,11,16,22,7,21,8,17,15,5,2,4,6,20,9,12,18,10,13,14/E:(1,2)(21,22)/rA:22CCCCCCCCCCCCOOCCCCCCCC/rB:s1;s2;s2;w?4;s5;w?6;s7;s8;s9;s10;s10;d12;s12;s10;s15;s16;s9s17;s18;s6s18;s20;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4321073,PMID:30840453,2019.0,PMID:30840453,2019,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-RSWGJHLUYNHPMX_on_P47870_WT,Low,ChEMBL30,CHEMBL1514489,CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,RSWGJHLUYNHPMX,RSWGJHLUYNHPMX-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)","""AuxInfo=1/1/N:1,3,19,11,16,22,7,21,8,17,15,5,2,4,6,20,9,12,18,10,13,14/E:(1,2)(21,22)/rA:22CCCCCCCCCCCCOOCCCCCCCC/rB:s1;s2;s2;w?4;s5;w?6;s7;s8;s9;s10;s10;d12;s12;s10;s15;s16;s9s17;s18;s6s18;s20;s4s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4321073,PMID:30840453,2019.0,PMID:30840453,2019,0,1,0,0,0,,=,  5.060,5.06,0.0,0.0,1.0,5.06,0.0
-RSWJVYKEYFTSQT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3984012,FC(F)(F)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,RSWJVYKEYFTSQT,RSWJVYKEYFTSQT-UHFFFAOYSA-N,"InChI=1S/C13H8ClF3N4/c14-9-6-7(3-4-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21)","""AuxInfo=1/1/N:14,15,7,6,13,19,8,5,20,16,11,10,2,21,1,3,4,12,9,17,18/E:(15,16,17)/rA:21FCFFCCCCNCCNCCCCNNCCCl/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-RSXKSXZORCZCRG_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1373422;1092658,COc1c(NC(=O)c2c(Cl)cccc2)ccc(NC(=O)c2cccs2)c1,RSXKSXZORCZCRG,RSXKSXZORCZCRG-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O3S/c1-25-16-11-12(21-19(24)17-7-4-10-26-17)8-9-15(16)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,13,12,23,14,11,22,16,15,24,26,17,8,9,4,3,21,6,19,10,18,5,7,20,2,25/rA:26COCCNCOCCClCCCCCCCNCOCCCCSC/rB:s1;s2;d3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s4;d15;s16;s17;s18;d19;s19;d21;s22;d23;s21s24;s3d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441;PubChemAID:577305,PMID:21247167,2011.0,PMID:21247167;PubChemAID:577305,2011,0,1;0,0,0,0;1,,=,  5.930;  5.932,5.931,0.001,0.001,2.0,5.931,0.001
-RSXZASOXDPHKLM_on_Q13255_WT,High,ChEMBL30,CHEMBL3785392,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C#N)C3=O)cc2)occ1,RSXZASOXDPHKLM,RSXZASOXDPHKLM-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O3/c1-12-7-8-28-19(12)20(26)24-14-5-6-18(17(22)9-14)25-11-16-13(10-23)3-2-4-15(16)21(25)27/h2-9H,11H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,17,18,16,25,24,28,27,8,20,13,2,19,7,15,14,9,11,3,4,22,10,21,6,12,5,23,26/rA:28CCCCONCCCClCNCCCCCCCCNCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;s12s15;d22;s11;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.670;  5.680,5.675,0.005,0.005,2.0,5.675,0.005
-RSYUKVLYKZHGIR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11499598;CHEMBL372511,COc1ncccc1C#Cc1csc(C)n1,RSYUKVLYKZHGIR,RSYUKVLYKZHGIR-UHFFFAOYSA-N,"InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)6-5-10-4-3-7-13-12(10)15-2/h3-4,7-8H,1-2H3","""AuxInfo=1/0/N:15,1,6,7,9,10,5,12,14,8,11,3,4,16,2,13/rA:16COCNCCCCCCCCSCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;t9;s10;d11;s12;s13;s14;s11d14;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.642;  6.640,6.641,0.001,0.001,2.0,6.641,0.001
-RSYYOIOLHPGIQZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681620,CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,RSYYOIOLHPGIQZ,RSYYOIOLHPGIQZ-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O3/c1-12(2)22-19(24)14-5-8-17(21-9-14)25-10-15-11-26-23-18(15)13-3-6-16(20)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,3,19,24,8,20,23,9,26,12,14,2,18,7,13,21,10,17,5,22,25,4,16,6,11,15/E:(1,2)(3,4)(6,7)/rA:26CCCNCOCCCCOCCCONCCCCCClCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-RTAFFWCZWXAGAY_on_P31644_WT,High,ChEMBL30,CHEMBL3681493,Cc1c(COc2ccc(C(=O)N3CC(O)C3)cn2)c(-c2ccccc2)no1,RTAFFWCZWXAGAY,RTAFFWCZWXAGAY-UHFFFAOYSA-N,"InChI=1S/C20H19N3O4/c1-13-17(19(22-27-13)14-5-3-2-4-6-14)12-26-18-8-7-15(9-21-18)20(25)23-10-16(24)11-23/h2-9,16,24H,10-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,8,7,17,13,16,4,2,20,9,14,3,6,19,10,18,26,12,15,11,5,27/E:(3,4)(5,6)(10,11)/rA:27CCCCOCCCCCONCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s12s14;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-RTBJKRIAGXUNPJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930529,CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F,RTBJKRIAGXUNPJ,RTBJKRIAGXUNPJ-UHFFFAOYSA-N,"InChI=1S/C23H22F4N4O/c1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32)","""AuxInfo=1/1/N:1,8,13,18,14,17,9,3,4,26,19,6,27,7,12,15,10,11,25,20,28,21,29,16,30,31,32,22,24,2,5,23/E:(3,4)(5,6)(25,26,27)/rA:32CNCCNCCCCCCCCCCFCCCCCNONCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;s5;s2s27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-RTCJYOUKEOFKFL_on_P41594_WT,Low,ChEMBL30,CHEMBL445241,NC(CC12CC(CP(=O)(O)O)(C1)C2)C(=O)O,RTCJYOUKEOFKFL,RTCJYOUKEOFKFL-UHFFFAOYSA-N,"InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:3,5,12,13,7,2,14,4,6,1,15,16,9,10,11,8/E:(2,3,4)(11,12)(13,14,15)/rA:16NCCCCCCPOOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s4s6;s4s6;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1018992,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-RTCJYOUKEOFKFL_on_Q13255_WT,Low,ChEMBL30,CHEMBL445241,NC(CC12CC(CP(=O)(O)O)(C1)C2)C(=O)O,RTCJYOUKEOFKFL,RTCJYOUKEOFKFL-UHFFFAOYSA-N,"InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)","""AuxInfo=1/1/N:3,5,12,13,7,2,14,4,6,1,15,16,9,10,11,8/E:(2,3,4)(11,12)(13,14,15)/rA:16NCCCCCCPOOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s8;s4s6;s4s6;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1018991,PMID:19042134,2009.0,PMID:19042134,2009,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-RTENVCBFDRQMCA_on_Q13255_WT,High,ChEMBL30,CHEMBL3786597,Cc1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccccc3C(=O)O)cc2)occ1,RTENVCBFDRQMCA,RTENVCBFDRQMCA-UHFFFAOYSA-N,"InChI=1S/C20H15ClN2O5/c1-11-8-9-28-17(11)19(25)22-12-6-7-16(15(21)10-12)23-18(24)13-4-2-3-5-14(13)20(26)27/h2-10H,1H3,(H,22,25)(H,23,24)(H,26,27)","""AuxInfo=1/1/N:1,17,18,16,19,25,24,28,27,8,2,7,15,20,9,11,3,13,4,21,10,6,12,14,5,22,23,26/E:(26,27)/rA:28CCCCONCCCClCNCOCCCCCCCOOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s20;d21;s21;s11;s7d24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.030;  6.030,6.03,0.0,0.0,2.0,6.03,0.0
-RTFRIEOSSNRCOK_on_P41594_WT,High,ChEMBL30,CHEMBL3644399,O=C1CN=C(n2cnc(-c3ccno3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,RTFRIEOSSNRCOK,RTFRIEOSSNRCOK-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)20-6-8-25-29-20)10-19-17-3-1-2-15(14-4-5-14)16(17)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2","""AuxInfo=1/0/N:28,27,29,25,26,11,20,12,21,16,3,15,7,24,23,19,18,9,17,10,5,2,4,8,13,6,22,1,14/E:(4,5)/rA:29OCCNCNCNCCCCNOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RTFRIEOSSNRCOK_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644399,O=C1CN=C(n2cnc(-c3ccno3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,RTFRIEOSSNRCOK,RTFRIEOSSNRCOK-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)20-6-8-25-29-20)10-19-17-3-1-2-15(14-4-5-14)16(17)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2","""AuxInfo=1/0/N:28,27,29,25,26,11,20,12,21,16,3,15,7,24,23,19,18,9,17,10,5,2,4,8,13,6,22,1,14/E:(4,5)/rA:29OCCNCNCNCCCCNOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s6d9;s5;w?16;s17;d18;s19;s20;s2s17s21;s19;s23;s24;s24s25;d23;s27;s18d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-RTGPTPVOFAYMLH_on_P14867_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678325,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.569,3.569,0.0,0.0,1.0,3.569,0.0
-RTGPTPVOFAYMLH_on_P18507_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682825;CHEMBL681094;CHEMBL682418;CHEMBL679474;CHEMBL678325;CHEMBL682715,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.796;  3.854;  3.854;  3.585;  3.569;  3.553,3.702,0.135,0.06,6.0,3.6910000000000003,0.13
-RTGPTPVOFAYMLH_on_P28472_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL679474;CHEMBL682715;CHEMBL682418;CHEMBL682825;CHEMBL678325;CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.585;  3.553;  3.854;  3.796;  3.569;  3.854,3.702,0.135,0.06,6.0,3.6910000000000003,0.13
-RTGPTPVOFAYMLH_on_P31644_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679474,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.585,3.585,0.0,0.0,1.0,3.585,0.0
-RTGPTPVOFAYMLH_on_P34903_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682825,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.796,3.7960000000000003,0.0,0.0,1.0,3.7960000000000003,0.0
-RTGPTPVOFAYMLH_on_P47869_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682715,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.553,3.553,0.0,0.0,1.0,3.553,0.0
-RTGPTPVOFAYMLH_on_P48169_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.854,3.8539999999999996,0.0,0.0,1.0,3.8539999999999996,0.0
-RTGPTPVOFAYMLH_on_Q16445_WT,Low,ChEMBL30,CHEMBL291079,O=[PH](O)C1CCNCC1,RTGPTPVOFAYMLH,RTGPTPVOFAYMLH-UHFFFAOYSA-N,"InChI=1S/C5H12NO2P/c7-9(8)5-1-3-6-4-2-5/h5-6,9H,1-4H2,(H,7,8)","""AuxInfo=1/1/N:5,9,6,8,4,7,1,3,2/E:(1,2)(3,4)(7,8)/CRV:9.5/rA:9OPOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.854,3.8539999999999996,0.0,0.0,1.0,3.8539999999999996,0.0
-RTHSDLLYNWWMSZ_on_P14867_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-RTHSDLLYNWWMSZ_on_P18507_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL681841;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.770;  7.600;  7.820;  7.750,7.735,0.08199999999999999,0.047,4.0,7.76,0.035
-RTHSDLLYNWWMSZ_on_P28472_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.820;  7.750;  7.600;  7.770,7.735,0.08199999999999999,0.047,4.0,7.76,0.035
-RTHSDLLYNWWMSZ_on_P31644_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-RTHSDLLYNWWMSZ_on_P34903_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-RTHSDLLYNWWMSZ_on_P47869_WT,Low,ChEMBL30,CHEMBL50320,c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1,RTHSDLLYNWWMSZ,RTHSDLLYNWWMSZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-2-8-16(9-3-1)20-24-25-21-18-11-4-5-12-19(18)22(26-27(20)21)28-15-13-17-10-6-7-14-23-17/h1-12,14H,13,15H2","""AuxInfo=1/0/N:1,2,28,13,12,23,22,3,27,24,14,11,18,21,17,4,19,9,10,5,8,15,20,6,7,25,26,16/E:(2,3)(8,9)/rA:28CCCCCNNCCCCCCCCOCCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d15;s5s8s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-RTIXKCRFFJGDFG_on_O00591_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_O14764_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P14867_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P18505_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P18507_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P28472_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P31644_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P34903_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P47869_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P47870_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P48169_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_P78334_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_Q16445_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTIXKCRFFJGDFG_on_Q99928_WT,Low,ChEMBL30,CHEMBL117,O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2,RTIXKCRFFJGDFG,RTIXKCRFFJGDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H","""AuxInfo=1/0/N:8,7,9,6,10,16,19,3,5,17,14,2,4,12,13,18,15,1,11/E:(2,3)(4,5)/rA:19OCCCCCCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-RTJVSODYBWREQD_on_P41594_WT,High,ChEMBL30,CHEMBL3702464,O=C1CN=C(n2cnc(C3CCC3)n2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccc3,RTJVSODYBWREQD,RTJVSODYBWREQD-UHFFFAOYSA-N,"InChI=1S/C24H21FN6O/c25-21-8-7-16(12-26-21)17-5-2-6-19-18(17)9-10-30-20(19)11-22(27-13-23(30)32)31-14-28-24(29-31)15-3-1-4-15/h2,5-8,11-12,14-15H,1,3-4,9-10,13H2","""AuxInfo=1/0/N:12,31,11,13,30,32,24,25,19,20,15,29,3,7,10,23,22,18,17,16,26,5,2,9,27,28,4,8,14,21,6,1/E:(3,4)/rA:32OCCNCNCNCCCCCNCCCCCCNCCCCCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;d23;s24;d25;s26;s26;s23d28;d22;s30;s17d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-RTMFRAUTYIKCRK_on_O00591_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_O14764_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P14867_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P18505_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P18507_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P28472_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P31644_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P34903_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P47869_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P47870_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P48169_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_P78334_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_Q16445_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTMFRAUTYIKCRK_on_Q99928_WT,Low,ChEMBL30,CHEMBL93668,COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,RTMFRAUTYIKCRK,RTMFRAUTYIKCRK-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-12-14(9-10)22-16(18-12)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,6,19,21,10,8,12,7,9,11,2,20/rA:22COCCCCNCNCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;s8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RTNMVIBTUPXHHL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3970801,CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)C1,RTNMVIBTUPXHHL,RTNMVIBTUPXHHL-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O/c1-19(2)7-8-23(18(24)10-19)17-6-5-14(12-22-17)3-4-15-9-16(20)13-21-11-15/h5-6,9,11-13H,7-8,10H2,1-2H3","""AuxInfo=1/0/N:1,3,11,12,9,8,4,5,19,24,14,20,16,10,13,17,7,22,2,18,15,21,6,23/E:(1,2)/rA:24CCCCCNCCCCCCCCNCCClCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-RTNPJCQBMCRDSE_on_P14867_WT,Low,ChEMBL30,CHEMBL194198,c1ccc(-c2cc(-c3ccccc3)nnc2)cc1,RTNPJCQBMCRDSE,RTNPJCQBMCRDSE-UHFFFAOYSA-N,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-17-12-15)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:1,11,2,18,10,12,3,17,9,13,6,16,4,8,5,7,15,14/E:(3,4)(5,6)(7,8)(9,10)/rA:18CCCCCCCCCCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-RTNPJCQBMCRDSE_on_P18507_WT,Low,ChEMBL30,CHEMBL194198,c1ccc(-c2cc(-c3ccccc3)nnc2)cc1,RTNPJCQBMCRDSE,RTNPJCQBMCRDSE-UHFFFAOYSA-N,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-17-12-15)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:1,11,2,18,10,12,3,17,9,13,6,16,4,8,5,7,15,14/E:(3,4)(5,6)(7,8)(9,10)/rA:18CCCCCCCCCCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882866;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.540;  7.440;  7.350,7.443,0.078,0.055,3.0,7.44,0.09
-RTNPJCQBMCRDSE_on_P28472_WT,Low,ChEMBL30,CHEMBL194198,c1ccc(-c2cc(-c3ccccc3)nnc2)cc1,RTNPJCQBMCRDSE,RTNPJCQBMCRDSE-UHFFFAOYSA-N,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-17-12-15)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:1,11,2,18,10,12,3,17,9,13,6,16,4,8,5,7,15,14/E:(3,4)(5,6)(7,8)(9,10)/rA:18CCCCCCCCCCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.440;  7.350;  7.540,7.443,0.078,0.055,3.0,7.44,0.09
-RTNPJCQBMCRDSE_on_P31644_WT,Low,ChEMBL30,CHEMBL194198,c1ccc(-c2cc(-c3ccccc3)nnc2)cc1,RTNPJCQBMCRDSE,RTNPJCQBMCRDSE-UHFFFAOYSA-N,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-17-12-15)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:1,11,2,18,10,12,3,17,9,13,6,16,4,8,5,7,15,14/E:(3,4)(5,6)(7,8)(9,10)/rA:18CCCCCCCCCCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-RTNPJCQBMCRDSE_on_P34903_WT,Low,ChEMBL30,CHEMBL194198,c1ccc(-c2cc(-c3ccccc3)nnc2)cc1,RTNPJCQBMCRDSE,RTNPJCQBMCRDSE-UHFFFAOYSA-N,InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-17-12-15)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:1,11,2,18,10,12,3,17,9,13,6,16,4,8,5,7,15,14/E:(3,4)(5,6)(7,8)(9,10)/rA:18CCCCCCCCCCCCCNNCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;s5d15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-RTQJDRRCUKQDNP_on_P41594_WT,Medium,ChEMBL30,CHEMBL184691,Cc1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,RTQJDRRCUKQDNP,RTQJDRRCUKQDNP-UHFFFAOYSA-N,"InChI=1S/C19H15N5/c1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)24-22-19(21-23-24)18-7-2-3-12-20-18/h2-13H,1H3","""AuxInfo=1/0/N:1,19,18,8,7,9,20,3,24,4,23,17,22,2,5,6,10,15,14,16,13,21,12,11/E:(8,9)(10,11)/rA:24CCCCCCCCCCNNNCCNCCCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-RTQJZMWQIDJSQI_on_Q14832_WT,Low,ChEMBL30,CHEMBL2204443,COc1ccc(C#Cc2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1,RTQJZMWQIDJSQI,RTQJZMWQIDJSQI-UHFFFAOYSA-N,"InChI=1S/C23H26N2O2/c1-18(2)24-14-16-25(17-15-24)23(26)21-10-6-19(7-11-21)4-5-20-8-12-22(27-3)13-9-20/h6-13,18H,14-17H2,1-3H3","""AuxInfo=1/0/N:20,21,1,8,7,10,25,5,26,11,24,4,27,17,22,16,23,19,9,6,12,3,13,18,15,14,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:27COCCCCCCCCCCCONCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s19;s19;s18;s15s22;s12;s9d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RTRIMAMBTITPNP_on_P14867_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-RTRIMAMBTITPNP_on_P18507_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.000;  8.210;  7.780;  7.230,8.055,0.647,0.373,4.0,7.995,0.49
-RTRIMAMBTITPNP_on_P28472_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.000;  7.230;  7.780;  8.210,8.055,0.647,0.373,4.0,7.995,0.49
-RTRIMAMBTITPNP_on_P31644_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RTRIMAMBTITPNP_on_P34903_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-RTRIMAMBTITPNP_on_P47869_WT,Low,ChEMBL30,CHEMBL121088,Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1,RTRIMAMBTITPNP,RTRIMAMBTITPNP-UHFFFAOYSA-N,"InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,26,28,25,29,14,2,27,24,15,16,10,11,9,6,12,5,17,30,8,7,22,3,23,13,4/E:(6,7)(8,9)/rA:30CCNOCCNNCCCCOCCCBrCCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;d12;s6s9s22;s11;s24;s25;s10s26;s27;s24s28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-RTSSGJFEKPAXIB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1682805;53326844;CHEMBL1682805,CN1CCc2c1ncc(C#Cc1ccccc1)c2,RTSSGJFEKPAXIB,RTSSGJFEKPAXIB-UHFFFAOYSA-N,"InChI=1S/C16H14N2/c1-18-10-9-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,4,3,18,8,12,9,5,6,7,2/E:(3,4)(5,6)/rA:18CNCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;PubChemAID:579858;CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468;PubChemAID:579858;PMID:21295468,2011,0,1;0;1,0,0,0;1;0,,=,  6.970;  6.970;  6.960,6.9670000000000005,0.005,0.003,3.0,6.97,0.0
-RTTKTBRUPLMMFE_on_P41594_WT,Low,ChEMBL30,CHEMBL215058,Cc1nc(C#CCOc2ccccc2Cl)ccc1,RTTKTBRUPLMMFE,RTTKTBRUPLMMFE-UHFFFAOYSA-N,"InChI=1S/C15H12ClNO/c1-12-6-4-7-13(17-12)8-5-11-18-15-10-3-2-9-14(15)16/h2-4,6-7,9-10H,11H2,1H3","""AuxInfo=1/0/N:1,12,11,17,6,18,16,5,13,10,7,2,4,14,9,15,3,8/rA:18CCNCCCCOCCCCCCClCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s9d13;s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-RTUBBCUPFNQOMU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3955040,Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,RTUBBCUPFNQOMU,RTUBBCUPFNQOMU-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O/c1-10-2-7-13-14(11-3-5-12(18)6-4-11)9-16(17(19)21)20-15(13)8-10/h2-9H,1H3,(H2,19,21)","""AuxInfo=1/1/N:1,3,8,13,9,12,4,21,14,2,7,10,5,6,20,15,16,11,17,19,18/E:(3,4)(5,6)/rA:21CCCCCCCCCCFCCCCCNONCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;s15;s16;d16;d15;s5s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-RTUBNVSZHGWRCV_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11301185;CHEMBL1645352,Cc1c(-c2ccc3ncccc3c2)nnn1-c1c(F)nccc1,RTUBNVSZHGWRCV,RTUBNVSZHGWRCV-UHFFFAOYSA-N,"InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3","""AuxInfo=1/0/N:1,10,22,11,23,5,6,9,21,13,2,12,4,7,17,3,18,19,8,20,14,15,16/rA:23CCCCCCCNCCCCCNNNCCFNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s3;d14;s2s15;s16;d17;s18;s18;d20;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:549904;CHEMBL1647364,PMID:21172734,2011.0,PubChemAID:549904;PMID:21172734,2011,0;1,0,0,0,1;0,,=,  8.444;  8.440,8.442,0.002,0.002,2.0,8.442,0.002
-RTUKPSOCDCOAMX_on_P41594_WT,High,ChEMBL30,CHEMBL1682790,O=C1NC(=O)c2c1ccc(C#Cc1ccccc1)c2,RTUKPSOCDCOAMX,RTUKPSOCDCOAMX-UHFFFAOYSA-N,"InChI=1S/C16H9NO2/c18-15-13-9-8-12(10-14(13)16(19)17-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,12,11,9,8,19,13,10,7,6,2,4,3,1,5/E:(2,3)(4,5)/rA:19OCNCOCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s4;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.940;  7.940,7.94,0.0,0.0,2.0,7.94,0.0
-RTXPZBMXKJAKMK_on_P41594_WT,High,ChEMBL30,CHEMBL197954,CCCOc1cccnc1Nc1nc(C)ccc1,RTXPZBMXKJAKMK,RTXPZBMXKJAKMK-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c1-3-10-18-12-7-5-9-15-14(12)17-13-8-4-6-11(2)16-13/h4-9H,3,10H2,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:1,15,2,17,7,16,6,18,8,3,14,5,12,10,9,13,11,4/rA:18CCCOCCCCNCNCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-RTYWEIOZGAANIG_on_Q14416_WT,High,ChEMBL30,CHEMBL3918914,CCCc1c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)ccc(C(C)=O)c1O,RTYWEIOZGAANIG,RTYWEIOZGAANIG-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-5-20-21(10-9-19(15(2)30)23(20)31)32-14-16-6-4-7-18(12-16)33-22-11-8-17(13-25-22)24-26-28-29-27-24/h4,6-13,31H,3,5,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,10,3,9,11,16,27,26,15,25,23,7,29,8,17,12,28,4,5,14,32,18,24,19,22,20,21,31,33,6,13/E:(26,27)(28,29)/rA:33CCCCCOCCCCCCOCCCCCNNNNCNCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s18d21;s17;s14d23;s8d12;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-RUBWUWIHYBPSMT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909077,Cc1cc(-c2nc(-c3ccnc(F)c3)c3CCOCCn23)ccc1OC(F)(F)F,RUBWUWIHYBPSMT,RUBWUWIHYBPSMT-UHFFFAOYSA-N,"InChI=1S/C20H17F4N3O2/c1-12-10-14(2-3-16(12)29-20(22,23)24)19-26-18(13-4-6-25-17(21)11-13)15-5-8-28-9-7-27(15)19/h2-4,6,10-11H,5,7-9H2,1H3","""AuxInfo=1/0/N:1,22,23,9,16,10,20,17,19,3,14,2,8,4,15,24,12,7,5,26,13,27,28,29,11,6,21,18,25/E:(22,23,24)/rA:29CCCCCNCCCCNCFCCCCOCCNCCCOCFFF/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s15;s16;s17;s18;s19;s5s15s20;d4;s22;s2d23;s24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-RUFHNMPVLJEQHJ_on_P41594_WT,High,ChEMBL30,CHEMBL3644371,Cc1nsc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)c1,RUFHNMPVLJEQHJ,RUFHNMPVLJEQHJ-UHFFFAOYSA-N,"InChI=1S/C23H21N5OS/c1-14-9-21(30-26-14)18-4-2-3-17-16(18)7-8-28-20(17)10-22(24-11-23(28)29)27-12-19(25-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,30,28,17,27,21,2,24,11,10,6,23,29,5,19,15,18,22,3,20,14,16,4/E:(5,6)/rA:30CCNSCCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-RUFHNMPVLJEQHJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644371,Cc1nsc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)c1,RUFHNMPVLJEQHJ,RUFHNMPVLJEQHJ-UHFFFAOYSA-N,"InChI=1S/C23H21N5OS/c1-14-9-21(30-26-14)18-4-2-3-17-16(18)7-8-28-20(17)10-22(24-11-23(28)29)27-12-19(25-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,30,28,17,27,21,2,24,11,10,6,23,29,5,19,15,18,22,3,20,14,16,4/E:(5,6)/rA:30CCNSCCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RUHLAOLIEGUBKZ_on_O15303_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL577069;44817625,Cc1c(-c2ccccc2)sc(N)c1C(=O)OC(C)(C)C,RUHLAOLIEGUBKZ,RUHLAOLIEGUBKZ-UHFFFAOYSA-N,"InChI=1S/C16H19NO2S/c1-10-12(15(18)19-16(2,3)4)14(17)20-13(10)11-8-6-5-7-9-11/h5-9H,17H2,1-4H3","""AuxInfo=1/0/N:1,18,19,20,7,6,8,5,9,2,4,13,3,11,14,17,12,15,16,10/E:(2,3,4)(6,7)(8,9)/rA:20CCCCCCCCCSCNCCOOCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;s11;s2d11;s13;d14;s14;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812;PubChemAID:439881,PMID:19819046,2010.0,PMID:19819046;PubChemAID:439881,2010,1;0,0,0,0,0;1,,=,  5.440;  5.444,5.442,0.002,0.002,2.0,5.442,0.002
-RUJXJMZSSMYZOZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3891811,O=C(NC12CCCC(C#Cc3cnccn3)(CC1)C2)c1cc(Cl)ccc1,RUJXJMZSSMYZOZ,RUJXJMZSSMYZOZ-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O/c22-17-4-1-3-16(13-17)19(26)25-21-7-2-6-20(15-21,9-10-21)8-5-18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)","""AuxInfo=1/1/N:25,6,26,24,10,7,5,9,17,18,14,15,21,12,19,20,22,11,2,8,4,23,13,16,3,1/rA:26OCNCCCCCCCCCNCCNCCCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s4s17;s4s8;s2;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-RUKCYILBMVKJSG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL484957,CC1CN(Cc2cnc(-c3ccc(F)c(F)c3)cc2)C(=O)O1,RUKCYILBMVKJSG,RUKCYILBMVKJSG-UHFFFAOYSA-N,"InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3","""AuxInfo=1/0/N:1,19,11,12,18,17,7,3,5,2,6,10,13,15,9,20,14,16,8,4,21,22/rA:22CCCNCCCNCCCCCFCFCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-RULIFSIKXUKYAJ_on_Q14833_WT,High,ExCAPE-DB,56587869,Clc1cccc(Nc2ccccn2)c1,RULIFSIKXUKYAJ,RULIFSIKXUKYAJ-UHFFFAOYSA-N,"InChI=1S/C11H9ClN2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,(H,13,14)","""AuxInfo=1/1/N:10,11,4,3,5,9,12,14,2,6,8,1,13,7/rA:14ClCCCCCNCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;s2d6;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RUOVJURXWIHZPL_on_P14867_WT,Low,ChEMBL30,CHEMBL300615,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1,RUOVJURXWIHZPL,RUOVJURXWIHZPL-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,22,3,26,23,14,11,21,17,4,18,9,10,5,8,15,20,19,6,7,24,25,16/E:(2,3)(7,8)/rA:27CCCCCNNCCCCCCCCOCCNNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.090,9.09,0.0,0.0,1.0,9.09,0.0
-RUOVJURXWIHZPL_on_P18507_WT,Low,ChEMBL30,CHEMBL300615,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1,RUOVJURXWIHZPL,RUOVJURXWIHZPL-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,22,3,26,23,14,11,21,17,4,18,9,10,5,8,15,20,19,6,7,24,25,16/E:(2,3)(7,8)/rA:27CCCCCNNCCCCCCCCOCCNNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.430;  9.820;  9.090,9.447000000000001,0.298,0.21100000000000002,3.0,9.43,0.34
-RUOVJURXWIHZPL_on_P28472_WT,Low,ChEMBL30,CHEMBL300615,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1,RUOVJURXWIHZPL,RUOVJURXWIHZPL-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,22,3,26,23,14,11,21,17,4,18,9,10,5,8,15,20,19,6,7,24,25,16/E:(2,3)(7,8)/rA:27CCCCCNNCCCCCCCCOCCNNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.090;  9.430;  9.820,9.447000000000001,0.298,0.21100000000000002,3.0,9.43,0.34
-RUOVJURXWIHZPL_on_P31644_WT,Low,ChEMBL30,CHEMBL300615,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1,RUOVJURXWIHZPL,RUOVJURXWIHZPL-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,22,3,26,23,14,11,21,17,4,18,9,10,5,8,15,20,19,6,7,24,25,16/E:(2,3)(7,8)/rA:27CCCCCNNCCCCCCCCOCCNNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.820,9.82,0.0,0.0,1.0,9.82,0.0
-RUOVJURXWIHZPL_on_P34903_WT,Low,ChEMBL30,CHEMBL300615,c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1,RUOVJURXWIHZPL,RUOVJURXWIHZPL-UHFFFAOYSA-N,"InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,27,13,12,22,3,26,23,14,11,21,17,4,18,9,10,5,8,15,20,19,6,7,24,25,16/E:(2,3)(7,8)/rA:27CCCCCNNCCCCCCCCOCCNNCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.430,9.43,0.0,0.0,1.0,9.43,0.0
-RUPSGZASNOZBHU_on_O15399_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_O60391_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUPSGZASNOZBHU_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365773,N=C(N)NN=Cc1cc(Cl)ccc1,RUPSGZASNOZBHU,RUPSGZASNOZBHU-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-2-6(4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:12,13,11,8,6,7,9,2,10,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCClCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;d9;s11;s7d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-RUSGJYRSLFLXRK_on_P31644_WT,High,ChEMBL30,CHEMBL3676470,Cc1c(COc2ccc(C(=O)NCC3CC(=O)NO3)cn2)c(-c2ccccc2)no1,RUSGJYRSLFLXRK,RUSGJYRSLFLXRK-UHFFFAOYSA-N,"InChI=1S/C21H20N4O5/c1-13-17(20(25-29-13)14-5-3-2-4-6-14)12-28-19-8-7-15(10-22-19)21(27)23-11-16-9-18(26)24-30-16/h2-8,10,16H,9,11-12H2,1H3,(H,23,27)(H,24,26)","""AuxInfo=1/1/N:1,26,25,27,24,28,8,7,15,20,13,4,2,23,9,14,3,16,6,22,10,21,12,18,29,17,11,5,30,19/E:(3,4)(5,6)/rA:30CCCCOCCCCCONCCCCONOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;s16;s14s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-RUVFYCSQNLFKOK_on_P14867_WT,Low,ChEMBL30,CHEMBL1814289,C=CCc1cc(-c2ccc(OC)c(CC(C)Br)c2)c(O)cc1,RUVFYCSQNLFKOK,RUVFYCSQNLFKOK-UHFFFAOYSA-N,"InChI=1S/C19H21BrO2/c1-4-5-14-6-8-18(21)17(11-14)15-7-9-19(22-3)16(12-15)10-13(2)20/h4,6-9,11-13,21H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,16,12,2,3,22,8,21,9,14,5,18,15,4,7,13,6,19,10,17,20,11/rA:22CCCCCCCCCCOCCCCCBrCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s15;s7d13;d6;s19;s19;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-RUVFYCSQNLFKOK_on_P47870_WT,Low,ChEMBL30,CHEMBL1814289,C=CCc1cc(-c2ccc(OC)c(CC(C)Br)c2)c(O)cc1,RUVFYCSQNLFKOK,RUVFYCSQNLFKOK-UHFFFAOYSA-N,"InChI=1S/C19H21BrO2/c1-4-5-14-6-8-18(21)17(11-14)15-7-9-19(22-3)16(12-15)10-13(2)20/h4,6-9,11-13,21H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,16,12,2,3,22,8,21,9,14,5,18,15,4,7,13,6,19,10,17,20,11/rA:22CCCCCCCCCCOCCCCCBrCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s10;s13;s14;s15;s15;s7d13;d6;s19;s19;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.770,4.77,0.0,0.0,1.0,4.77,0.0
-RUVGOQTXBMVHCG_on_P41594_WT,High,ChEMBL30,CHEMBL3314815,N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)n2)ccc1,RUVGOQTXBMVHCG,RUVGOQTXBMVHCG-UHFFFAOYSA-N,"InChI=1S/C16H10N6O2/c17-5-11-2-1-3-12(4-11)16(23)22-14-8-18-9-15(21-14)24-13-6-19-10-20-7-13/h1-4,6-10H,(H,21,22,23)","""AuxInfo=1/1/N:23,24,22,4,2,16,20,10,12,18,3,5,15,9,13,6,1,11,17,19,21,8,7,14/E:(6,7)(19,20)/rA:24NCCCCCONCCNCCOCCNCNCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.100;  6.280,6.19,0.09,0.09,2.0,6.19,0.09
-RUWUPJIBRSPFBB_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB;ExCAPE-DB;ChEMBL30,CHEMBL236178;16659804;16659805;CHEMBL393923,CC1COc2c(N1)c1c(nc2)sc2c1ncn(-c1ccc(Cl)cc1)c2=O,RUWUPJIBRSPFBB,RUWUPJIBRSPFBB-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3","""AuxInfo=1/0/N:1,20,23,19,24,11,3,16,2,21,18,5,8,6,14,13,9,25,22,10,15,7,17,26,4,12/E:(2,3)(4,5)/rA:26CCCOCCNCCNCSCCNCNCCCCClCCCO/rB:s1;s2;s3;s4;d5;s2s6;s6;d8;s9;s5d10;s9;s12;s8d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859;PubChemAID:302748;PubChemAID:302748;CHEMBL899859,PMID:17929793,2007.0,PMID:17929793;PubChemAID:302748;PubChemAID:302748;PMID:17929793,2007;2010;2010;2007,1;0;0;1,0,0,0,0;1;1;0,,=,  7.610;  7.613;  7.921;  7.920,7.766,0.155,0.08900000000000001,4.0,7.767,0.154
-RVAMMKWKFLINED_on_P41594_WT,High,ChEMBL30,CHEMBL1289347,O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1,RVAMMKWKFLINED,RVAMMKWKFLINED-UHFFFAOYSA-N,"InChI=1S/C18H19F2N3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,8,10,14,24,13,25,21,5,3,6,19,22,16,2,20,23,9,15,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCNCCCCFCCFCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-RVBDTECNRILWEN_on_P41594_WT,Low,ChEMBL30,CHEMBL202523,Cc1nc(C#Cc2c(OS(C)(=O)=O)nccc2)cs1,RVBDTECNRILWEN,RVBDTECNRILWEN-UHFFFAOYSA-N,"InChI=1S/C12H10N2O3S2/c1-9-14-11(8-18-9)6-5-10-4-3-7-13-12(10)17-19(2,15)16/h3-4,7-8H,1-2H3","""AuxInfo=1/0/N:1,11,16,17,6,5,15,18,2,7,4,8,14,3,12,13,9,19,10/E:(15,16)/CRV:19.6/rA:19CCNCCCCCOSCOONCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d10;d10;s8;d14;s15;s7d16;d4;s2s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVDRTVSKBHTUTQ_on_O00222_WT,Medium,ChEMBL30,CHEMBL329920,CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RVDRTVSKBHTUTQ,RVDRTVSKBHTUTQ-UHFFFAOYSA-N,"InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,2,3,4,18,26,19,27,17,25,5,20,28,14,16,24,6,15,21,23,7,11,8,29,12,13,9,10,30,31,22/E:(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(27,28)(29,30)/rA:31CCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s15d23;s24;d25;s26;s23d27;s12;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-RVDRTVSKBHTUTQ_on_P41594_WT,Low,ChEMBL30,CHEMBL329920,CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RVDRTVSKBHTUTQ,RVDRTVSKBHTUTQ-UHFFFAOYSA-N,"InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,2,3,4,18,26,19,27,17,25,5,20,28,14,16,24,6,15,21,23,7,11,8,29,12,13,9,10,30,31,22/E:(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(27,28)(29,30)/rA:31CCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s15d23;s24;d25;s26;s23d27;s12;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RVDRTVSKBHTUTQ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL329920,CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RVDRTVSKBHTUTQ,RVDRTVSKBHTUTQ-UHFFFAOYSA-N,"InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,2,3,4,18,26,19,27,17,25,5,20,28,14,16,24,6,15,21,23,7,11,8,29,12,13,9,10,30,31,22/E:(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(27,28)(29,30)/rA:31CCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s15d23;s24;d25;s26;s23d27;s12;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-RVDRTVSKBHTUTQ_on_Q14831_WT,Medium,ChEMBL30,CHEMBL329920,CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RVDRTVSKBHTUTQ,RVDRTVSKBHTUTQ-UHFFFAOYSA-N,"InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,2,3,4,18,26,19,27,17,25,5,20,28,14,16,24,6,15,21,23,7,11,8,29,12,13,9,10,30,31,22/E:(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(27,28)(29,30)/rA:31CCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s15d23;s24;d25;s26;s23d27;s12;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-RVDRTVSKBHTUTQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL329920,CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,RVDRTVSKBHTUTQ,RVDRTVSKBHTUTQ-UHFFFAOYSA-N,"InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)","""AuxInfo=1/1/N:1,2,3,4,18,26,19,27,17,25,5,20,28,14,16,24,6,15,21,23,7,11,8,29,12,13,9,10,30,31,22/E:(5,6)(7,8)(9,10)(12,13)(15,16)(19,20)(27,28)(29,30)/rA:31CCCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s6s7;s11;s12;s12;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s15d23;s24;d25;s26;s23d27;s12;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-RVEIPERWACOAFV_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3935108,Clc1cc(Nc2c3ncccc3n[nH]2)ccc1OCc1ccccc1,RVEIPERWACOAFV,RVEIPERWACOAFV-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O/c20-15-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-17(15)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24)","""AuxInfo=1/1/N:23,22,24,10,21,25,11,15,16,9,3,19,20,4,2,12,17,7,6,1,8,5,13,14,18/E:(2,3)(5,6)/rA:25ClCCCNCCNCCCCNNCCCOCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-RVFJXXQHIGQYLL_on_P18507_WT,Low,ChEMBL30,CHEMBL4210493,N=C(N)NCc1nn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nc1,RVFJXXQHIGQYLL,RVFJXXQHIGQYLL-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-22-27(25-7)5-9-11(13(30)28(9)38(33,34)35)24-12(29)10(8-6-37-16(20)23-8)26-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,23)(H,24,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,38,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,37,29,12,7,16,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCNNCCCNCOCNOCCOOCCCCSCNNCONSOOONC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.721,3.721,0.0,0.0,1.0,3.721,0.0
-RVFJXXQHIGQYLL_on_P47869_WT,Low,ChEMBL30,CHEMBL4210493,N=C(N)NCc1nn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nc1,RVFJXXQHIGQYLL,RVFJXXQHIGQYLL-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-22-27(25-7)5-9-11(13(30)28(9)38(33,34)35)24-12(29)10(8-6-37-16(20)23-8)26-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,23)(H,24,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,38,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,37,29,12,7,16,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCNNCCCNCOCNOCCOOCCCCSCNNCONSOOONC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.721,3.721,0.0,0.0,1.0,3.721,0.0
-RVFJXXQHIGQYLL_on_P47870_WT,Low,ChEMBL30,CHEMBL4210493,N=C(N)NCc1nn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nc1,RVFJXXQHIGQYLL,RVFJXXQHIGQYLL-UHFFFAOYSA-N,"InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-22-27(25-7)5-9-11(13(30)28(9)38(33,34)35)24-12(29)10(8-6-37-16(20)23-8)26-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,23)(H,24,29)(H,31,32)(H4,18,19,21)(H,33,34,35)","""AuxInfo=1/1/N:22,23,5,38,9,25,6,24,10,15,11,13,30,19,2,27,18,1,3,28,4,37,29,12,7,16,8,32,14,31,20,21,34,35,36,17,26,33/E:(1,2)(18,19)(31,32)(33,34,35)/CRV:38.6/rA:38NCNNCCNNCCCNCOCNOCCOOCCCCSCNNCONSOOONC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s13;w?15;s16;s17;s18;d19;s19;s18;s18s22;s15;d24;s25;s26;s27;s24d27;s11;d30;s10s30;s32;d33;d33;s33;s8;s6d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4187503,PMID:29336873,2018.0,PMID:29336873,2018,1,0,0,0,0,,=,  3.721,3.721,0.0,0.0,1.0,3.721,0.0
-RVOLITKRHDUTJL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2398520,COc1c(CNCCCCCNCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1,RVOLITKRHDUTJL,RVOLITKRHDUTJL-UHFFFAOYSA-N,"InChI=1S/C32H54N4O2/c1-37-31-19-9-7-17-29(31)27-35-25-15-5-13-23-33-21-11-3-4-12-22-34-24-14-6-16-26-36-28-30-18-8-10-20-32(30)38-2/h7-10,17-20,33-36H,3-6,11-16,21-28H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,9,22,36,33,37,32,14,17,10,21,8,23,35,34,38,31,13,18,11,20,7,24,5,26,4,27,3,28,12,19,6,25,2,29/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38COCCCNCCCCCNCCCCCCNCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;s29;s28;d31;s32;s27d33;s4;d35;s36;s3d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-RVOLITKRHDUTJL_on_Q12879_WT,Low,ChEMBL30,CHEMBL2398520,COc1c(CNCCCCCNCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1,RVOLITKRHDUTJL,RVOLITKRHDUTJL-UHFFFAOYSA-N,"InChI=1S/C32H54N4O2/c1-37-31-19-9-7-17-29(31)27-35-25-15-5-13-23-33-21-11-3-4-12-22-34-24-14-6-16-26-36-28-30-18-8-10-20-32(30)38-2/h7-10,17-20,33-36H,3-6,11-16,21-28H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,9,22,36,33,37,32,14,17,10,21,8,23,35,34,38,31,13,18,11,20,7,24,5,26,4,27,3,28,12,19,6,25,2,29/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38COCCCNCCCCCNCCCCCCNCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;s29;s28;d31;s32;s27d33;s4;d35;s36;s3d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-RVOVBYRQUIAZIU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684237,O=C1NC(=O)c2c1ccc(C#Cc1ccccc1F)c2,RVOVBYRQUIAZIU,RVOVBYRQUIAZIU-UHFFFAOYSA-N,"InChI=1S/C16H8FNO2/c17-14-4-2-1-3-11(14)7-5-10-6-8-12-13(9-10)16(20)18-15(12)19/h1-4,6,8-9H,(H,18,19,20)","""AuxInfo=1/1/N:15,16,14,17,11,9,12,8,20,10,13,7,6,18,2,4,19,3,1,5/rA:20OCNCOCCCCCCCCCCCCCFC/rB:d1;s2;s3;d4;s4;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-RVRHQHDKALSKLY_on_Q14416_WT,High,ChEMBL30,CHEMBL3337510,N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CC2)c1=O,RVRHQHDKALSKLY,RVRHQHDKALSKLY-UHFFFAOYSA-N,"InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2","""AuxInfo=1/0/N:12,11,13,10,14,22,23,7,15,17,6,16,18,2,20,21,9,8,3,4,24,1,5,19,25/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:25NCCCNCCCCCCCCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;s21;s21s22;s3s19;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785;CHEMBL4040507;CHEMBL4040509;CHEMBL4040508,PMID:25032784,2014.0,PMID:25032784;PMID:28704052;PMID:28704052;PMID:28704052,2014;2017;2017;2017,0,1;0;0;1,0;1;0;0,0;0;1;0,0,,=,  6.820;  7.290;  7.580;  7.100,7.197,0.27699999999999997,0.16,4.0,7.195,0.235
-RVRYMQWKKHZKBB_on_Q13255_WT,High,ChEMBL30,CHEMBL2397343,CC1CN(c2c(F)cccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,RVRYMQWKKHZKBB,RVRYMQWKKHZKBB-UHFFFAOYSA-N,"InChI=1S/C21H28FN3O/c1-14-13-24(19-18(22)3-2-4-23-19)5-6-25(14)20(26)21-10-15-7-16(11-21)9-17(8-15)12-21/h2-4,14-17H,5-13H2,1H3","""AuxInfo=1/0/N:1,9,8,10,12,13,20,22,24,26,18,25,3,2,21,19,23,6,5,15,17,7,11,4,14,16/E:(7,8,9)(10,11,12)(15,16,17)/rA:26CCCNCCFCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17s23;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.150;  6.150,6.15,0.0,0.0,2.0,6.15,0.0
-RVVBDZPCGDQWAQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3906552,Clc1cc(Nc2c3ncccc3n[nH]2)cc(Cl)c1Cl,RVVBDZPCGDQWAQ,RVVBDZPCGDQWAQ-UHFFFAOYSA-N,"InChI=1S/C12H7Cl3N4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)","""AuxInfo=1/1/N:10,11,9,3,15,4,2,16,12,18,7,6,1,17,19,8,5,13,14/E:(4,5)(7,8)(13,14)/rA:19ClCCCNCCNCCCCNNCCClCCl/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s16;s2d16;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-RVWOJJBVBVIEID_on_O00222_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3637027,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_O15303_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3637025,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_P41594_WT,High,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.440;  6.440,6.44,0.0,0.0,2.0,6.44,0.0
-RVWOJJBVBVIEID_on_Q13255_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3637021,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_Q14416_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3637022,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_Q14831_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3637026,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_Q14832_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3637023,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVWOJJBVBVIEID_on_Q14833_WT,Low,ChEMBL30,CHEMBL3633943,CC(=O)N1CCCn2nc(COc3ccccc3)cc12,RVWOJJBVBVIEID,RVWOJJBVBVIEID-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,19,11,2,10,13,20,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3637024,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RVYUDFWZPOLARO_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209436,C(=Cc1nc(-c2ccccc2)ncc1)c1ccccc1,RVYUDFWZPOLARO,RVYUDFWZPOLARO-UHFFFAOYSA-N,InChI=1S/C18H14N2/c1-3-7-15(8-4-1)11-12-17-13-14-19-18(20-17)16-9-5-2-6-10-16/h1-14H,"""AuxInfo=1/0/N:18,9,17,19,8,10,16,20,7,11,1,2,14,13,15,6,3,5,12,4/E:(3,4)(5,6)(7,8)(9,10)/rA:20CCCNCCCCCCCNCCCCCCCC/rB:w?1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s12;s3d13;s1;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-RWALYVZZSHQRJP_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159847,CS(=O)(=O)c1ccc(C(=N)NCc2ccccc2)cc1,RWALYVZZSHQRJP,RWALYVZZSHQRJP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2S/c1-20(18,19)14-9-7-13(8-10-14)15(16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,18,7,19,6,20,12,13,8,5,9,10,11,3,4,2/E:(3,4)(5,6)(7,8)(9,10)(18,19)/CRV:20.6/rA:20CSOOCCCCCNNCCCCCCCCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,0,0,0,1,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-RWAOVJGCJJFPRG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3959505,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1,RWAOVJGCJJFPRG,RWAOVJGCJJFPRG-UHFFFAOYSA-N,"InChI=1S/C23H17F2N3O2/c24-16-5-2-14(3-6-16)19-10-20(23(26)30)28-22-18(19)8-4-15(21(22)25)9-13-1-7-17(12-29)27-11-13/h1-8,10-11,29H,9,12H2,(H2,26,30)","""AuxInfo=1/1/N:20,8,13,16,9,12,21,15,18,5,26,23,19,7,17,10,22,14,6,4,27,29,2,11,28,1,25,30,24,3/E:(2,3)(5,6)/rA:30NCOCCCCCCCFCCCCCCCCCCCCONCCFCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;d19;s20;d21;s22;s23;s22;s19d25;d17;s27;s14s27;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-RWCVGNCJJUTUBU_on_P14867_WT,Low,ChEMBL30,CHEMBL3616637,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(NC(C)=O)c2)c1,RWCVGNCJJUTUBU,RWCVGNCJJUTUBU-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-5-7-15-9-10-20(25-4)18(11-15)17-12-16(8-6-2)21(24)19(13-17)22-14(3)23/h9-13,24H,5-8H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,16,22,9,2,15,3,14,5,6,25,12,24,21,4,13,11,10,19,7,17,20,23,18,8/rA:25CCCCCCCOCCCCCCCCCOCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s20;s21;d21;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.610,4.61,0.0,0.0,1.0,4.61,0.0
-RWCVGNCJJUTUBU_on_P18507_WT,Low,ChEMBL30,CHEMBL3616637,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(NC(C)=O)c2)c1,RWCVGNCJJUTUBU,RWCVGNCJJUTUBU-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-5-7-15-9-10-20(25-4)18(11-15)17-12-16(8-6-2)21(24)19(13-17)22-14(3)23/h9-13,24H,5-8H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,16,22,9,2,15,3,14,5,6,25,12,24,21,4,13,11,10,19,7,17,20,23,18,8/rA:25CCCCCCCOCCCCCCCCCOCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s20;s21;d21;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.610,4.61,0.0,0.0,1.0,4.61,0.0
-RWCVGNCJJUTUBU_on_P47870_WT,Low,ChEMBL30,CHEMBL3616637,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(NC(C)=O)c2)c1,RWCVGNCJJUTUBU,RWCVGNCJJUTUBU-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-5-7-15-9-10-20(25-4)18(11-15)17-12-16(8-6-2)21(24)19(13-17)22-14(3)23/h9-13,24H,5-8H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,16,22,9,2,15,3,14,5,6,25,12,24,21,4,13,11,10,19,7,17,20,23,18,8/rA:25CCCCCCCOCCCCCCCCCOCNCCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s20;s21;d21;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.610,4.61,0.0,0.0,1.0,4.61,0.0
-RWJQFJBJUPTMBH_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL187077;10026879,CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(=O)CC(C)C)c1O,RWJQFJBJUPTMBH,RWJQFJBJUPTMBH-UHFFFAOYSA-N,"InChI=1S/C25H32N4O4/c1-4-7-21-23(13-12-20(24(21)31)22(30)16-17(2)3)33-15-6-5-14-32-19-10-8-18(9-11-19)25-26-28-29-27-25/h8-13,17,31H,4-7,14-16H2,1-3H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,31,2,9,8,3,14,21,13,22,24,23,10,7,28,29,15,12,25,4,26,5,32,16,17,20,18,19,27,33,11,6/E:(2,3)(8,9)(10,11)(26,27)(28,29)/rA:33CCCCCOCCCCOCCCCCNNNNCCCCCCOCCCCCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s16d19;s15;s12d21;s5;d23;s24;s25;d26;s26;s28;s29;s29;s4d25;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  6.380;  6.376,6.377999999999999,0.002,0.002,2.0,6.377999999999999,0.002
-RWSVDUMAUWXFAZ_on_Q14416_WT,High,ChEMBL30,CHEMBL2029787,COc1ccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1,RWSVDUMAUWXFAZ,RWSVDUMAUWXFAZ-UHFFFAOYSA-N,"InChI=1S/C18H20N2O2/c1-13(2)8-10-20-11-9-16(17(12-19)18(20)21)14-4-6-15(22-3)7-5-14/h4-7,9,11,13H,8,10H2,1-3H3","""AuxInfo=1/0/N:17,18,1,5,21,4,22,15,20,14,19,9,16,6,3,7,8,11,10,13,12,2/E:(1,2)(4,5)(6,7)/rA:22COCCCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;t9;s8;d11;s11;s13;s14;s15;s16;s16;s13;s7d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-RWUOGVWORJUNJA_on_P14867_WT,Low,ChEMBL30,CHEMBL290036,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21,RWUOGVWORJUNJA,RWUOGVWORJUNJA-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-RWUOGVWORJUNJA_on_P18507_WT,Low,ChEMBL30,CHEMBL290036,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21,RWUOGVWORJUNJA,RWUOGVWORJUNJA-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683024;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.150;  9.520,9.335,0.185,0.185,2.0,9.335,0.185
-RWUOGVWORJUNJA_on_P34903_WT,Low,ChEMBL30,CHEMBL290036,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21,RWUOGVWORJUNJA,RWUOGVWORJUNJA-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-RWUOGVWORJUNJA_on_P47870_WT,Low,ChEMBL30,CHEMBL290036,O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21,RWUOGVWORJUNJA,RWUOGVWORJUNJA-UHFFFAOYSA-N,"InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2","""AuxInfo=1/0/N:18,19,26,25,4,8,5,7,29,10,22,17,27,24,30,11,12,13,16,2,28,21,20,14,3,9,23,1,6,15/E:(1,2)(5,6)(7,8)/rA:30OCNCCOCCNCCCCNOCCCCNNCNCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s27;s9s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677024;CHEMBL683024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.520;  9.150,9.335,0.185,0.185,2.0,9.335,0.185
-RWUUQGNDLSOOHD_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,70689926;CHEMBL2029804,CC(C)CCn1ccc(-c2ccc(Nc3ccncc3)cc2)c(C#N)c1=O,RWUUQGNDLSOOHD,RWUUQGNDLSOOHD-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c1-16(2)9-13-26-14-10-20(21(15-23)22(26)27)17-3-5-18(6-4-17)25-19-7-11-24-12-8-19/h3-8,10-12,14,16H,9,13H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,3,11,22,12,21,16,20,4,8,17,19,5,7,24,2,10,13,15,9,23,26,25,18,14,6,27/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:27CCCCCNCCCCCCCNCCCNCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10d21;d9;s23;t24;s6s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  5.830;  5.830,5.83,0.0,0.0,2.0,5.83,0.0
-RWVIMCIPOAXUDG_on_O15399_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_O60391_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_Q05586_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_Q12879_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_Q13224_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RWVIMCIPOAXUDG_on_Q14957_WT,Low,ChEMBL30,CHEMBL155265,O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1,RWVIMCIPOAXUDG,RWVIMCIPOAXUDG-UHFFFAOYSA-N,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)","""AuxInfo=1/1/N:9,18,10,17,5,4,12,14,11,16,6,2,13,15,7,8,1,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/CRV:11.5,12.5/rA:18ON+O-CCN+OO-CCNCOCONCC/rB:d1;s2;s2;d4;s5;d6;s6;s5;d9;s10;d11;s12;s12;s14;d14;s10s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RXBIBCQFMWIYGB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3930568,COc1cc(Nc2c3ncccc3n[nH]2)ccc1Cl,RXBIBCQFMWIYGB,RXBIBCQFMWIYGB-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O/c1-19-11-7-8(4-5-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,11,12,16,17,10,4,5,18,13,3,8,7,19,9,6,14,15,2/rA:19COCCCNCCNCCCCNNCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-RXGSRPYQWZDBKD_on_Q13255_WT,High,ChEMBL30,CHEMBL3422891,N#Cc1c(NCc2cccc(F)c2)sc2c1CCN(C(=O)c1ccccc1)C2,RXGSRPYQWZDBKD,RXGSRPYQWZDBKD-UHFFFAOYSA-N,"InChI=1S/C22H18FN3OS/c23-17-8-4-5-15(11-17)13-25-21-19(12-24)18-9-10-26(14-20(18)28-21)22(27)16-6-2-1-3-7-16/h1-8,11,25H,9-10,13-14H2","""AuxInfo=1/0/N:25,24,26,9,8,23,27,10,17,18,13,2,6,28,7,22,11,16,3,15,4,20,12,1,5,19,21,14/E:(2,3)(6,7)/rA:28NCCCNCCCCCCFCSCCCCNCOCCCCCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;s14;s3d15;s16;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-RXJAQIBDEJFUCL_on_P14867_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-RXJAQIBDEJFUCL_on_P18507_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680431;CHEMBL682708;CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.020;  6.080;  6.360,6.153,0.14800000000000002,0.105,3.0,6.08,0.06
-RXJAQIBDEJFUCL_on_P28472_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.020;  6.080,6.05,0.03,0.03,2.0,6.05,0.03
-RXJAQIBDEJFUCL_on_P34903_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-RXJAQIBDEJFUCL_on_P47869_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-RXJAQIBDEJFUCL_on_P47870_WT,Low,ChEMBL30,CHEMBL283850,O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12,RXJAQIBDEJFUCL,RXJAQIBDEJFUCL-UHFFFAOYSA-N,"InChI=1S/C21H20N2O2/c24-20(18-14-22-19-11-5-4-10-17(18)19)21(25)23-12-6-9-16(23)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,14,16,22H,6,9,12-13H2","""AuxInfo=1/0/N:14,13,15,23,22,7,12,16,8,24,21,6,10,18,11,9,25,17,20,2,3,19,5,1,4/E:(2,3)(7,8)/rA:25OCCONCCCCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;s19;d20;s21;d22;s23;s17s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-RXKQKYXTPQRLBB_on_P14867_WT,Medium,ChEMBL30,CHEMBL147379,CCCCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,RXKQKYXTPQRLBB,RXKQKYXTPQRLBB-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,7,4,6,10,21,14,9,15,8,13,11,23,16,12,25,5,22,24/rA:25CCCCNCCCCCCNCCCFCCCCCNCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-RXKQKYXTPQRLBB_on_P31644_WT,Medium,ChEMBL30,CHEMBL147379,CCCCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,RXKQKYXTPQRLBB,RXKQKYXTPQRLBB-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,7,4,6,10,21,14,9,15,8,13,11,23,16,12,25,5,22,24/rA:25CCCCNCCCCCCNCCCFCCCCCNCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-RXKQKYXTPQRLBB_on_P34903_WT,Medium,ChEMBL30,CHEMBL147379,CCCCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,RXKQKYXTPQRLBB,RXKQKYXTPQRLBB-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,7,4,6,10,21,14,9,15,8,13,11,23,16,12,25,5,22,24/rA:25CCCCNCCCCCCNCCCFCCCCCNCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-RXKQKYXTPQRLBB_on_P47869_WT,Medium,ChEMBL30,CHEMBL147379,CCCCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,RXKQKYXTPQRLBB,RXKQKYXTPQRLBB-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,7,4,6,10,21,14,9,15,8,13,11,23,16,12,25,5,22,24/rA:25CCCCNCCCCCCNCCCFCCCCCNCON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s9;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s11s21;s22;s23;s8d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-RXMRMUKXZYDILW_on_P41594_WT,High,ChEMBL30,CHEMBL1289232,Cc1cc(Cl)ccc1N1CCN(C(=O)COCc2ccncc2)CC1,RXMRMUKXZYDILW,RXMRMUKXZYDILW-UHFFFAOYSA-N,"InChI=1S/C19H22ClN3O2/c1-15-12-17(20)2-3-18(15)22-8-10-23(11-9-22)19(24)14-25-13-16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3","""AuxInfo=1/0/N:1,6,7,19,23,20,22,10,25,11,24,3,17,15,2,18,4,8,13,5,21,9,12,14,16/E:(4,5)(6,7)(8,9)(10,11)/rA:25CCCCClCCCNCCNCOCOCCCCNCCCC/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;s9;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s18d22;s12;s9s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RXMRVZANJZUNED_on_P14867_WT,Low,ChEMBL30,CHEMBL471551,CCCCC(=O)c1c(O)c2c(ccc(CC)c2)nc1,RXMRVZANJZUNED,RXMRVZANJZUNED-UHFFFAOYSA-N,"InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,16,2,15,3,4,13,12,17,19,14,10,7,11,5,8,18,6,9/rA:19CCCCCOCCOCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s10d14;s11;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-RXMRVZANJZUNED_on_P18507_WT,Low,ChEMBL30,CHEMBL471551,CCCCC(=O)c1c(O)c2c(ccc(CC)c2)nc1,RXMRVZANJZUNED,RXMRVZANJZUNED-UHFFFAOYSA-N,"InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,16,2,15,3,4,13,12,17,19,14,10,7,11,5,8,18,6,9/rA:19CCCCCOCCOCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s10d14;s11;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-RXMRVZANJZUNED_on_P47870_WT,Low,ChEMBL30,CHEMBL471551,CCCCC(=O)c1c(O)c2c(ccc(CC)c2)nc1,RXMRVZANJZUNED,RXMRVZANJZUNED-UHFFFAOYSA-N,"InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,16,2,15,3,4,13,12,17,19,14,10,7,11,5,8,18,6,9/rA:19CCCCCOCCOCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s10d14;s11;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-RXNIGFGPEBOLII_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70681336;CHEMBL2022158,O=C1CCNC(NC(=O)Nc2cc(Br)ccc2)=N1,RXNIGFGPEBOLII,RXNIGFGPEBOLII-UHFFFAOYSA-N,"InChI=1S/C11H11BrN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,3,4,12,13,11,2,6,8,14,5,10,18,7,1,9/rA:18OCCCNCNCONCCCBrCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2w?6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  5.032;  5.030,5.031000000000001,0.001,0.001,2.0,5.031000000000001,0.001
-RXSLHJIGDUJPNP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107913,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)cc(C)n1,RXSLHJIGDUJPNP,RXSLHJIGDUJPNP-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-8-17(9-14(2)28-13)21-19-6-7-31-15(3)12-30(19)22(29-21)16-4-5-20(18(10-16)11-24)32-23(25,26)27/h4-5,8-10,15H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:1,31,11,16,17,7,8,3,29,27,25,12,2,30,10,15,4,24,6,18,5,14,20,26,21,22,23,32,28,13,9,19/E:(1,2)(8,9)(13,14)(25,26,27)/rA:32CCCCCCCCOCCCNCCCCCOCFFFCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s25;s15d24;s5d14;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-RXTDKEORLMBDME_on_Q12879_WT,Low,ChEMBL30,CHEMBL150640,c1ccc(CC2CCN(CCCSc3nc4c(nccc4)[nH]3)CC2)cc1,RXTDKEORLMBDME,RXTDKEORLMBDME-UHFFFAOYSA-N,"InChI=1S/C21H26N4S/c1-2-6-17(7-3-1)16-18-9-13-25(14-10-18)12-5-15-26-21-23-19-8-4-11-22-20(19)24-21/h1-4,6-8,11,18H,5,9-10,12-16H2,(H,22,23,24)","""AuxInfo=1/1/N:1,2,26,20,11,3,25,21,7,24,19,10,8,23,12,5,4,6,16,17,14,18,15,22,9,13/E:(2,3)(6,7)(9,10)(13,14)/rA:26CCCCCCCCNCCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RXTDKEORLMBDME_on_Q13224_WT,Medium,ChEMBL30,CHEMBL150640,c1ccc(CC2CCN(CCCSc3nc4c(nccc4)[nH]3)CC2)cc1,RXTDKEORLMBDME,RXTDKEORLMBDME-UHFFFAOYSA-N,"InChI=1S/C21H26N4S/c1-2-6-17(7-3-1)16-18-9-13-25(14-10-18)12-5-15-26-21-23-19-8-4-11-22-20(19)24-21/h1-4,6-8,11,18H,5,9-10,12-16H2,(H,22,23,24)","""AuxInfo=1/1/N:1,2,26,20,11,3,25,21,7,24,19,10,8,23,12,5,4,6,16,17,14,18,15,22,9,13/E:(2,3)(6,7)(9,10)(13,14)/rA:26CCCCCCCCNCCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-RXTDKEORLMBDME_on_Q14957_WT,Low,ChEMBL30,CHEMBL150640,c1ccc(CC2CCN(CCCSc3nc4c(nccc4)[nH]3)CC2)cc1,RXTDKEORLMBDME,RXTDKEORLMBDME-UHFFFAOYSA-N,"InChI=1S/C21H26N4S/c1-2-6-17(7-3-1)16-18-9-13-25(14-10-18)12-5-15-26-21-23-19-8-4-11-22-20(19)24-21/h1-4,6-8,11,18H,5,9-10,12-16H2,(H,22,23,24)","""AuxInfo=1/1/N:1,2,26,20,11,3,25,21,7,24,19,10,8,23,12,5,4,6,16,17,14,18,15,22,9,13/E:(2,3)(6,7)(9,10)(13,14)/rA:26CCCCCCCCNCCCSCNCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-RXTIQVIRKPVIBZ_on_O15399_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.500;  4.790,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_O60391_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.790;  5.500,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  4.790;  5.500,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.500;  4.790,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.500;  4.790,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.500;  4.790,5.145,0.355,0.355,2.0,5.145,0.355
-RXTIQVIRKPVIBZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL145074,O=C(O)C1CN(CCCc2n[nH]nn2)CCN1,RXTIQVIRKPVIBZ,RXTIQVIRKPVIBZ-UHFFFAOYSA-N,"InChI=1S/C9H16N6O2/c16-9(17)7-6-15(5-3-10-7)4-1-2-8-11-13-14-12-8/h7,10H,1-6H2,(H,16,17)(H,11,12,13,14)","""AuxInfo=1/1/N:8,9,16,7,15,5,4,10,2,17,11,14,12,13,6,1,3/E:(11,12)(13,14)(16,17)/rA:17OCOCCNCCCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;s12;s10d13;s6;s15;s4s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.500;  4.790,5.145,0.355,0.355,2.0,5.145,0.355
-RXYNBVIFAUSQCS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290160,O=S(=O)(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccccc1,RXYNBVIFAUSQCS,RXYNBVIFAUSQCS-UHFFFAOYSA-N,"InChI=1S/C26H29NO4S/c28-26-19-27(15-7-17-32(29,30)24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)31-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:20,30,19,21,29,31,5,18,22,28,32,13,12,9,6,8,4,23,26,16,17,10,14,27,11,24,7,25,1,3,15,2/E:(3,4)(5,6)(8,9)(10,11)(29,30)/CRV:32.6/rA:32OSOCCCNCCCCCCCOCCCCCCCCCOCCCCCCC/rB:d1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s11;s24;s7s24;s2;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-RXYNBVIFAUSQCS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290160,O=S(=O)(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccccc1,RXYNBVIFAUSQCS,RXYNBVIFAUSQCS-UHFFFAOYSA-N,"InChI=1S/C26H29NO4S/c28-26-19-27(15-7-17-32(29,30)24-10-5-2-6-11-24)16-14-22-18-23(12-13-25(22)26)31-20-21-8-3-1-4-9-21/h1-6,8-13,18,26,28H,7,14-17,19-20H2","""AuxInfo=1/0/N:20,30,19,21,29,31,5,18,22,28,32,13,12,9,6,8,4,23,26,16,17,10,14,27,11,24,7,25,1,3,15,2/E:(3,4)(5,6)(8,9)(10,11)(29,30)/CRV:32.6/rA:32OSOCCCNCCCCCCCOCCCCCCCCCOCCCCCCC/rB:d1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s11;s24;s7s24;s2;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-RXZDXHKRDHZRKP_on_Q14416_WT,High,ChEMBL30,CHEMBL3616860;CHEMBL3616860;CHEMBL3616860;CHEMBL3616853;CHEMBL3616853;CHEMBL3616853,NC1(C(=O)O)CC(Sc2c[nH]nn2)C2C(C(=O)O)C21,RXZDXHKRDHZRKP,RXZDXHKRDHZRKP-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,10,7,9,14,15,19,16,3,2,1,11,13,12,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCCNNNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619269;CHEMBL3619271;CHEMBL3619407;CHEMBL3619271;CHEMBL3619269;CHEMBL3619407,PMID:26313429,2015.0,PMID:26313429,2015,0,0;1;1;1;0;1,0,1;0;0;0;1;0,0,,=,  6.960;  8.280;  7.720;  7.910;  6.850;  7.340,7.51,0.511,0.228,6.0,7.53,0.475
-RXZDXHKRDHZRKP_on_Q14832_WT,High,ChEMBL30,CHEMBL3616853;CHEMBL3616853;CHEMBL3616853;CHEMBL3616860;CHEMBL3616860;CHEMBL3616860;CHEMBL3616853,NC1(C(=O)O)CC(Sc2c[nH]nn2)C2C(C(=O)O)C21,RXZDXHKRDHZRKP,RXZDXHKRDHZRKP-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,10,7,9,14,15,19,16,3,2,1,11,13,12,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCCNNNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619416;CHEMBL3619410;CHEMBL3619270;CHEMBL3619270;CHEMBL3619410;CHEMBL3619416;CHEMBL3619412,PMID:26313429,2015.0,PMID:26313429,2015,1;0;0;0;0;1;1,0;1;0;0;1;0;0,0,0;0;1;1;0;0;0,0,,=,  5.260;  6.630;  6.590;  7.190;  7.030;  5.550;  5.620,6.267,0.7190000000000001,0.293,7.0,6.59,0.6
-RYARMSANLFBQQB_on_Q13255_WT,High,ChEMBL30,CHEMBL568648,Cc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cnccc1,RYARMSANLFBQQB,RYARMSANLFBQQB-UHFFFAOYSA-N,"InChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3","""AuxInfo=1/0/N:1,22,23,5,14,6,13,11,12,21,19,2,4,7,10,18,3,8,20,15,16,17,9/E:(4,5)(6,7)(8,9)/rA:23CCCCCCCCOCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s10s11;s7;s4d13;s3;d15;s2s16;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-RYDIHZXJESNRRZ_on_Q14416_WT,High,ChEMBL30,CHEMBL189264,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1cc(-c2ccc(-c3n[nH]nn3)cc2)ccc1,RYDIHZXJESNRRZ,RYDIHZXJESNRRZ-UHFFFAOYSA-N,"InChI=1S/C30H33N5O/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)22-10-12-23(13-11-22)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)","""AuxInfo=1/1/N:1,11,12,13,2,35,3,36,34,24,33,25,32,15,16,6,7,21,19,9,20,23,26,22,5,4,14,17,27,10,28,31,29,30,8,18/E:(2,3,4)(10,11)(12,13)(31,32)(33,34)/rA:36CCCCCCCNCCCCCCCCCOCCCCCCCCCNNNNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;d20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;d22;s34;s20d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-RYDWUZQWFYGKCX_on_P14867_WT,Medium,ChEMBL30,CHEMBL356161,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cccc3)cn12,RYDWUZQWFYGKCX,RYDWUZQWFYGKCX-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-RYDWUZQWFYGKCX_on_P31644_WT,Medium,ChEMBL30,CHEMBL356161,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cccc3)cn12,RYDWUZQWFYGKCX,RYDWUZQWFYGKCX-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-RYDWUZQWFYGKCX_on_P34903_WT,Medium,ChEMBL30,CHEMBL356161,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cccc3)cn12,RYDWUZQWFYGKCX,RYDWUZQWFYGKCX-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RYDWUZQWFYGKCX_on_P47869_WT,Medium,ChEMBL30,CHEMBL356161,Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cccc3)cn12,RYDWUZQWFYGKCX,RYDWUZQWFYGKCX-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)","""AuxInfo=1/1/N:12,11,13,25,24,10,14,26,23,16,15,8,6,27,9,20,5,21,4,19,17,2,22,18,3,7,28,1/E:(2,3)(6,7)/rA:28OCNCCCNCCCCCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-RYDYATPRWQTACP_on_O15399_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_O60391_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_Q05586_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_Q12879_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_Q13224_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYDYATPRWQTACP_on_Q14957_WT,Low,ChEMBL30,CHEMBL40649,COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,RYDYATPRWQTACP,RYDYATPRWQTACP-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,10,11,9,8,4,3,14,16,12,13,18,5,15,17,6,7,2/E:(16,17)/CRV:13.5/rA:18COCCN+OO-CCCCFNCOCON/rB:s1;s2;d3;s4;d5;s5;s4;d8;s9;s3d10;s11;s9;d13;s14;s14;s16;s8d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-RYFIWEJRWHTFBM_on_O00591_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_O14764_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P14867_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P18505_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P18507_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P28472_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P31644_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P34903_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P47869_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P47870_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P48169_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_P78334_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_Q16445_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.180;  6.000,5.59,0.41,0.41,2.0,5.59,0.41
-RYFIWEJRWHTFBM_on_Q99928_WT,Low,ChEMBL30,CHEMBL1192629,Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1,RYFIWEJRWHTFBM,RYFIWEJRWHTFBM-UHFFFAOYSA-N,"InChI=1S/C15H14N4OS/c1-10-7-13(11-5-3-2-4-6-11)15(16)19(17-10)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,18,17,19,16,20,21,7,5,2,15,6,14,8,12,13,3,10,4,9,11/E:(3,4)(5,6)/rA:21CCNNCCCCONSCNCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s6s10;s4;d12;s12;s14;d15;s16;d17;s18;s15d19;s2d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  6.000;  5.180,5.59,0.41,0.41,2.0,5.59,0.41
-RYHBADLCPQPWTE_on_Q14833_WT,High,ChEMBL30,CHEMBL1672246,CC(C)C(=O)Nc1c(Cl)cc(NC(=O)c2ncccc2)cc1,RYHBADLCPQPWTE,RYHBADLCPQPWTE-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O2/c1-10(2)15(21)20-13-7-6-11(9-12(13)17)19-16(22)14-5-3-4-8-18-14/h3-10H,1-2H3,(H,19,22)(H,20,21)","""AuxInfo=1/1/N:1,3,19,18,20,21,22,17,10,2,11,8,7,15,4,13,9,16,12,6,5,14/E:(1,2)/rA:22CCCCONCCClCCNCOCNCCCCCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.370,5.37,0.0,0.0,1.0,5.37,0.0
-RYHFBEKICFFEJR_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3947876,CC(C)c1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1,RYHFBEKICFFEJR,RYHFBEKICFFEJR-UHFFFAOYSA-N,"InChI=1S/C19H17Cl2N3O3S2/c1-11(2)16-18(29(26,27)10-12-6-7-13(20)9-14(12)21)28-19(23-16)24-17(25)15-5-3-4-8-22-15/h3-9,11H,10H2,1-2H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,25,26,24,11,12,27,15,9,2,10,13,16,23,4,21,5,19,14,17,28,29,20,22,7,8,18,6/E:(1,2)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCCCClCCClSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;d12;s13;s13;s10d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-RYINQFMHVVYWNS_on_Q14416_WT,High,ChEMBL30,CHEMBL4092105,CC(C)C(=O)c1c(O)c(C(F)(F)F)c(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)cc1,RYINQFMHVVYWNS,RYINQFMHVVYWNS-UHFFFAOYSA-N,"InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)","""AuxInfo=1/1/N:1,3,28,19,31,18,32,34,33,21,26,16,29,2,20,17,6,25,14,9,4,7,23,10,11,12,13,22,30,27,5,8,24,15/E:(1,2)(4,5)(6,7)(25,26,27)/rA:34CCCCOCCOCCFFFCOCCCCCCNCOCCNCCNCCCC/rB:s1;s2;s2;d4;s4;d6;s7;s7;s9;s10;s10;s10;d9;s14;s15;s16;d17;s18;d19;s20;s21;s22;d23;s23;d25;s26;s27;s27;s25d29;s20;s17d31;s14;s6d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040509;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  7.100;  6.970;  7.000,7.023,0.055999999999999994,0.039,3.0,7.0,0.03
-RYIXFMHZONNQOV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289731,CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(O)c2)C(O)C1,RYIXFMHZONNQOV,RYIXFMHZONNQOV-UHFFFAOYSA-N,"InChI=1S/C20H24N2O3/c1-21(12-15-5-3-2-4-6-15)20(25)14-22-10-9-16-11-17(23)7-8-18(16)19(24)13-22/h2-8,11,19,23-24H,9-10,12-14H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,19,18,15,14,22,3,25,12,4,16,20,17,23,10,2,13,21,24,11/E:(3,4)(5,6)/rA:25CNCCCCCCCCOCNCCCCCCCOCCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s17;s23;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-RYIXFMHZONNQOV_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289731,CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(O)c2)C(O)C1,RYIXFMHZONNQOV,RYIXFMHZONNQOV-UHFFFAOYSA-N,"InChI=1S/C20H24N2O3/c1-21(12-15-5-3-2-4-6-15)20(25)14-22-10-9-16-11-17(23)7-8-18(16)19(24)13-22/h2-8,11,19,23-24H,9-10,12-14H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,19,18,15,14,22,3,25,12,4,16,20,17,23,10,2,13,21,24,11/E:(3,4)(5,6)/rA:25CNCCCCCCCCOCNCCCCCCCOCCOC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s17;s23;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-RYJKKFDOFDWVOL_on_O15399_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_O60391_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYJKKFDOFDWVOL_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365739,Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2,RYJKKFDOFDWVOL,RYJKKFDOFDWVOL-UHFFFAOYSA-N,"InChI=1S/C11H13N5/c1-7-2-3-8-5-9(15-10(8)4-7)6-14-16-11(12)13/h2-6,15H,1H3,(H4,12,13,16)","""AuxInfo=1/1/N:1,7,6,3,8,10,2,5,9,4,13,14,15,11,16,12/E:(12,13)/rA:16CCCCCCCCCCNNCNNN/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;w?10;s11;w?12;s13;s13;s4s9;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-RYKBQSSZEXHGJL_on_P14867_WT,Low,ChEMBL30,CHEMBL206587,CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,RYKBQSSZEXHGJL,RYKBQSSZEXHGJL-UHFFFAOYSA-N,"InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,4,5,19,23,21,24,8,20,17,14,13,11,7,26,27,18,12,22,25,3,6,28/rA:28CCNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.550,9.55,0.0,0.0,1.0,9.55,0.0
-RYKBQSSZEXHGJL_on_P18507_WT,Low,ChEMBL30,CHEMBL206587,CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,RYKBQSSZEXHGJL,RYKBQSSZEXHGJL-UHFFFAOYSA-N,"InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,4,5,19,23,21,24,8,20,17,14,13,11,7,26,27,18,12,22,25,3,6,28/rA:28CCNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869461;CHEMBL869459;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.820;  9.550;  9.050,9.472999999999999,0.319,0.226,3.0,9.55,0.27
-RYKBQSSZEXHGJL_on_P28472_WT,Low,ChEMBL30,CHEMBL206587,CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,RYKBQSSZEXHGJL,RYKBQSSZEXHGJL-UHFFFAOYSA-N,"InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,4,5,19,23,21,24,8,20,17,14,13,11,7,26,27,18,12,22,25,3,6,28/rA:28CCNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869459;CHEMBL869461;CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.550;  9.820;  9.050,9.472999999999999,0.319,0.226,3.0,9.55,0.27
-RYKBQSSZEXHGJL_on_P31644_WT,Low,ChEMBL30,CHEMBL206587,CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,RYKBQSSZEXHGJL,RYKBQSSZEXHGJL-UHFFFAOYSA-N,"InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,4,5,19,23,21,24,8,20,17,14,13,11,7,26,27,18,12,22,25,3,6,28/rA:28CCNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.820,9.82,0.0,0.0,1.0,9.82,0.0
-RYKBQSSZEXHGJL_on_P34903_WT,Low,ChEMBL30,CHEMBL206587,CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O,RYKBQSSZEXHGJL,RYKBQSSZEXHGJL-UHFFFAOYSA-N,"InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3","""AuxInfo=1/0/N:1,2,9,16,15,10,4,5,19,23,21,24,8,20,17,14,13,11,7,26,27,18,12,22,25,3,6,28/rA:28CCNCCNCCCCCFCCCCCFCCCNCCNCCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;s8d13;d7;s24;s6d25;s3s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-RYKKCIWJESQJIE_on_Q14833_WT,High,ChEMBL30,CHEMBL3809868,O=C(Nc1ncc(SCc2ccccc2)s1)c1ccccn1,RYKKCIWJESQJIE,RYKKCIWJESQJIE-UHFFFAOYSA-N,"InChI=1S/C16H13N3OS2/c20-15(13-8-4-5-9-17-13)19-16-18-10-14(22-16)21-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19,20)","""AuxInfo=1/1/N:13,12,14,19,20,11,15,18,21,6,9,10,17,7,2,4,22,5,3,1,8,16/E:(2,3)(6,7)/rA:22OCNCNCCSCCCCCCCSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4s7;s2;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-RYNBHQRIQWPDIU_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023458,Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,RYNBHQRIQWPDIU,RYNBHQRIQWPDIU-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c22-15-6-7-17-16(8-9-19-18(17)10-15)13-11-20-21(12-13)14-4-2-1-3-5-14/h1-12,22H","""AuxInfo=1/0/N:13,12,14,11,15,3,4,18,19,22,17,8,7,10,2,6,5,21,20,16,9,1/E:(2,3)(4,5)/rA:22OCCCCCCCNCCCCCCNCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s9;s7d16;d6;s18;d19;s5s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RYNJVAAFSBRXKS_on_Q14833_WT,High,ChEMBL30,CHEMBL2022872,c1cnc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1,RYNJVAAFSBRXKS,RYNJVAAFSBRXKS-UHFFFAOYSA-N,InChI=1S/C17H12N4/c1-2-6-16-15(5-1)14(8-10-18-16)13-11-20-21(12-13)17-7-3-4-9-19-17/h1-12H,"""AuxInfo=1/0/N:15,16,21,1,14,17,20,9,2,10,18,6,7,8,13,12,4,11,3,19,5/rA:21CCNCNCCCCCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s12d16;s7;s5d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-RYODDIOYGKHDCF_on_P14867_WT,Medium,ChEMBL30,CHEMBL454865,CCOC(=O)C1=NCN2c3c(cc(CC)cc3)C(=O)N(C)CC12,RYODDIOYGKHDCF,RYODDIOYGKHDCF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,14H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:15,1,21,14,2,16,17,12,22,8,13,11,10,23,6,18,4,7,20,9,19,5,3/rA:23CCOCOCNCNCCCCCCCCCONCCC/rB:s1;s2;s3;d4;s4;w?6;s7;s8;s9;d10;s11;d12;s13;s14;s13;s10d16;s11;d18;s18;s20;s20;s6s9s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.690,7.69,0.0,0.0,1.0,7.69,0.0
-RYODDIOYGKHDCF_on_P31644_WT,Medium,ChEMBL30,CHEMBL454865,CCOC(=O)C1=NCN2c3c(cc(CC)cc3)C(=O)N(C)CC12,RYODDIOYGKHDCF,RYODDIOYGKHDCF-UHFFFAOYSA-N,"InChI=1S/C17H21N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,14H,4-5,9-10H2,1-3H3","""AuxInfo=1/0/N:15,1,21,14,2,16,17,12,22,8,13,11,10,23,6,18,4,7,20,9,19,5,3/rA:23CCOCOCNCNCCCCCCCCCONCCC/rB:s1;s2;s3;d4;s4;w?6;s7;s8;s9;d10;s11;d12;s13;s14;s13;s10d16;s11;d18;s18;s20;s20;s6s9s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-RYPLGTSJJHETNP_on_P18507_WT,Low,ChEMBL30,CHEMBL193201,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(Cl)cc2)n1,RYPLGTSJJHETNP,RYPLGTSJJHETNP-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)17(20-16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,11,13,10,14,17,22,18,21,7,16,19,9,6,15,4,20,23,8,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCOCOCCNCCCCCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-RYPLGTSJJHETNP_on_P47869_WT,Low,ChEMBL30,CHEMBL193201,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(Cl)cc2)n1,RYPLGTSJJHETNP,RYPLGTSJJHETNP-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)17(20-16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,11,13,10,14,17,22,18,21,7,16,19,9,6,15,4,20,23,8,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCOCOCCNCCCCCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-RYPLGTSJJHETNP_on_P47870_WT,Low,ChEMBL30,CHEMBL193201,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(Cl)cc2)n1,RYPLGTSJJHETNP,RYPLGTSJJHETNP-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)17(20-16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,11,13,10,14,17,22,18,21,7,16,19,9,6,15,4,20,23,8,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCOCOCCNCCCCCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s19;s16d21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-RYVFBEYCANAKOL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3892213,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(O)C2)c3)cn1,RYVFBEYCANAKOL,RYVFBEYCANAKOL-UHFFFAOYSA-N,"InChI=1S/C20H23N5O2/c1-24-11-14(9-22-24)17-8-19(20(21)27)23-18-7-13(4-5-16(17)18)10-25-6-2-3-15(26)12-25/h4-5,7-9,11,15,26H,2-3,6,10,12H2,1H3,(H2,21,27)","""AuxInfo=1/1/N:1,20,21,15,14,19,25,6,26,17,3,24,16,4,22,13,5,12,7,8,9,27,11,2,18,23,10/rA:27CNCCCCCCNONCCCCCCNCCCCOCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s18s22;s12d16;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-RYZQKLTUQIPHKF_on_P18507_WT,Low,ChEMBL30,CHEMBL392035,CCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RYZQKLTUQIPHKF,RYZQKLTUQIPHKF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,10,16,4,11,8,17,3,7,12,9,18,13,14,15,20,19,6/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-RYZQKLTUQIPHKF_on_P28472_WT,High,ChEMBL30,CHEMBL392035,CCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RYZQKLTUQIPHKF,RYZQKLTUQIPHKF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,10,16,4,11,8,17,3,7,12,9,18,13,14,15,20,19,6/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-RYZQKLTUQIPHKF_on_P47869_WT,Low,ChEMBL30,CHEMBL392035,CCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RYZQKLTUQIPHKF,RYZQKLTUQIPHKF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,10,16,4,11,8,17,3,7,12,9,18,13,14,15,20,19,6/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-RYZQKLTUQIPHKF_on_P47870_WT,Low,ChEMBL30,CHEMBL392035,CCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,RYZQKLTUQIPHKF,RYZQKLTUQIPHKF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3","""AuxInfo=1/0/N:1,5,2,10,16,4,11,8,17,3,7,12,9,18,13,14,15,20,19,6/E:(4,5)(8,9)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s4;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-RYZYJNRVHPFAEX_on_P31644_WT,High,ChEMBL30,CHEMBL3676468,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccccc2)no1,RYZYJNRVHPFAEX,RYZYJNRVHPFAEX-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-14-18(20(24-27-14)16-5-3-2-4-6-16)13-26-19-10-9-17(12-22-19)21(25)23-11-15-7-8-15/h2-6,9-10,12,15H,7-8,11,13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,23,22,24,21,25,15,16,8,7,13,17,4,2,14,20,9,3,6,19,10,18,12,26,11,5,27/E:(3,4)(5,6)(7,8)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-RZADELXKYYDCDV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3934691,CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)CCC1(C)C,RZADELXKYYDCDV,RZADELXKYYDCDV-UHFFFAOYSA-N,"InChI=1S/C21H21FN2O/c1-21(2)12-11-18(20(25)24(21)3)19-10-9-16(14-23-19)8-7-15-5-4-6-17(22)13-15/h4-6,9-10,13-14,18H,11-12H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,8,7,21,22,18,19,12,9,16,5,6,3,23,17,20,2,4/E:(1,2)/rA:25CNCOCCCCCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-RZALQMVKYRKTCJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3422885,Cc1ccc(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)cc1,RZALQMVKYRKTCJ,RZALQMVKYRKTCJ-UHFFFAOYSA-N,"InChI=1S/C23H21N3OS/c1-16-7-9-18(10-8-16)23(27)26-12-11-19-20(13-24)22(28-21(19)15-26)25-14-17-5-3-2-4-6-17/h2-10,25H,11-12,14-15H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,3,28,4,27,10,9,25,17,13,2,18,5,11,24,12,15,6,26,16,8,7,14/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCCCONCCCCCSCNCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d15;s24;t25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-RZAPRBYXMPEHOJ_on_P41594_WT,Low,ChEMBL30,CHEMBL58247,CC(Nc1ccc(C(=O)O)cc1)C(=O)O,RZAPRBYXMPEHOJ,RZAPRBYXMPEHOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-6(9(12)13)11-8-4-2-7(3-5-8)10(14)15/h2-6,11H,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,6,11,5,12,2,7,4,13,8,3,14,15,9,10/E:(2,3)(4,5)(12,13)(14,15)/rA:15CCNCCCCCOOCCCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s7;s4d11;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  3.710,3.71,0.0,0.0,1.0,3.71,0.0
-RZAPRBYXMPEHOJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL58247,CC(Nc1ccc(C(=O)O)cc1)C(=O)O,RZAPRBYXMPEHOJ,RZAPRBYXMPEHOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-6(9(12)13)11-8-4-2-7(3-5-8)10(14)15/h2-6,11H,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,6,11,5,12,2,7,4,13,8,3,14,15,9,10/E:(2,3)(4,5)(12,13)(14,15)/rA:15CCNCCCCCOOCCCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s7;s4d11;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-RZAPRBYXMPEHOJ_on_Q14416_WT,Low,ChEMBL30,CHEMBL58247,CC(Nc1ccc(C(=O)O)cc1)C(=O)O,RZAPRBYXMPEHOJ,RZAPRBYXMPEHOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-6(9(12)13)11-8-4-2-7(3-5-8)10(14)15/h2-6,11H,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,6,11,5,12,2,7,4,13,8,3,14,15,9,10/E:(2,3)(4,5)(12,13)(14,15)/rA:15CCNCCCCCOOCCCOO/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s7;s4d11;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  3.470,3.47,0.0,0.0,1.0,3.47,0.0
-RZBNNZQLMKBBNX_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830708,c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cnc1,RZBNNZQLMKBBNX,RZBNNZQLMKBBNX-UHFFFAOYSA-N,"InChI=1S/C14H13N5S/c1-4-11-10(8-16-19-11)13-12(5-1)20-14(18-13)17-9-3-2-6-15-7-9/h2-3,6-8H,1,4-5H2,(H,16,19)(H,17,18)","""AuxInfo=1/1/N:10,1,2,11,9,20,18,14,3,13,12,8,7,5,19,15,4,6,16,17/rA:20CCCNCNCCCCCCCCNNSCNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s7d12;s13;d14;s12s15;s5s8;d3;s18;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RZDBPKYQNYGDPH_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209595,Nc1nccc(-c2ccc3ccccc3c2)n1,RZDBPKYQNYGDPH,RZDBPKYQNYGDPH-UHFFFAOYSA-N,"InChI=1S/C14H11N3/c15-14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,15,16,17)","""AuxInfo=1/1/N:12,13,11,14,9,8,5,4,16,10,15,7,6,2,1,3,17/rA:17NCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-RZEDXUFBIJSIMV_on_Q14416_WT,High,ChEMBL30,CHEMBL4099470,COc1ccccc1C(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,RZEDXUFBIJSIMV,RZEDXUFBIJSIMV-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-9-5-3-2-4-7(9)13(19)18-8-6-16(17,15(22)23)12-10(8)11(12)14(20)21/h2-5,8,10-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,6,5,7,4,13,8,12,3,24,20,19,9,21,16,14,15,11,10,22,23,17,18,2/E:(20,21)(22,23)/rA:24COCCCCCCCONCCCNCOOCCCOOC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s12;s13;s14;s14;d16;s16;s14;s19;s20;d21;s21;s12s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  6.820;  7.580,7.2,0.38,0.38,2.0,7.2,0.38
-RZEDXUFBIJSIMV_on_Q14832_WT,High,ChEMBL30,CHEMBL4099470,COc1ccccc1C(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12,RZEDXUFBIJSIMV,RZEDXUFBIJSIMV-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-9-5-3-2-4-7(9)13(19)18-8-6-16(17,15(22)23)12-10(8)11(12)14(20)21/h2-5,8,10-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,6,5,7,4,13,8,12,3,24,20,19,9,21,16,14,15,11,10,22,23,17,18,2/E:(20,21)(22,23)/rA:24COCCCCCCCONCCCNCOOCCCOOC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;s12;s13;s14;s14;d16;s16;s14;s19;s20;d21;s21;s12s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.150;  7.630,7.89,0.26,0.26,2.0,7.89,0.26
-RZOFEWOHNOOHND_on_P14867_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-RZOFEWOHNOOHND_on_P18507_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.640;  9.000;  9.540;  8.480,8.915,0.40700000000000003,0.235,4.0,8.82,0.26
-RZOFEWOHNOOHND_on_P28472_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.000;  8.640;  8.480;  9.540,8.915,0.40700000000000003,0.235,4.0,8.82,0.26
-RZOFEWOHNOOHND_on_P31644_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.540,9.54,0.0,0.0,1.0,9.54,0.0
-RZOFEWOHNOOHND_on_P34903_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-RZOFEWOHNOOHND_on_P47869_WT,Low,ChEMBL30,CHEMBL360122,CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,RZOFEWOHNOOHND,RZOFEWOHNOOHND-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,15,19,27,29,26,30,5,4,8,28,25,14,7,23,24,13,22,10,6,20,21,11,3,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-RZQLAROFFIWLGZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771649,O=C(c1cccc(F)c1)N1CCCC1c1nc(-c2cccc(F)c2)no1,RZQLAROFFIWLGZ,RZQLAROFFIWLGZ-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-6-1-4-12(10-14)17-22-18(26-23-17)16-8-3-9-24(16)19(25)13-5-2-7-15(21)11-13/h1-2,4-7,10-11,16H,3,8-9H2","""AuxInfo=1/0/N:20,5,12,19,4,21,6,13,11,24,9,18,3,22,7,14,17,15,2,23,8,16,25,10,1,26/rA:26OCCCCCCFCNCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s10s13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;d17;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-RZXCVARCMCHRIL_on_P41594_WT,Low,ChEMBL30,CHEMBL393480,O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc[nH]2,RZXCVARCMCHRIL,RZXCVARCMCHRIL-UHFFFAOYSA-N,"InChI=1S/C14H10ClN3O/c15-9-3-1-4-10(7-9)18-14(19)11-5-2-6-12-13(11)17-8-16-12/h1-8H,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:9,13,8,10,12,14,5,18,6,4,11,15,16,2,7,19,17,3,1/rA:19OCNCCCClCCCCCCCCCNCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RZXWKGHDRQNABH_on_P14867_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-RZXWKGHDRQNABH_on_P18507_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL678329;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.520;  8.520;  6.620;  7.620,7.57,0.6729999999999999,0.38799999999999996,4.0,7.57,0.5
-RZXWKGHDRQNABH_on_P28472_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.620;  8.520;  7.520;  7.620,7.57,0.6729999999999999,0.38799999999999996,4.0,7.57,0.5
-RZXWKGHDRQNABH_on_P31644_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-RZXWKGHDRQNABH_on_P34903_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-RZXWKGHDRQNABH_on_P47869_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-RZXWKGHDRQNABH_on_Q16445_WT,Low,ChEMBL30,CHEMBL173938,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2,RZXWKGHDRQNABH,RZXWKGHDRQNABH-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8,19-20H","""AuxInfo=1/0/N:2,1,3,6,19,18,16,13,4,14,5,15,8,9,11,10,17,12,7,20/rA:20CCCCCCNCCCCNCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-RZYMRAHORMWADH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1223786,O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1c(O)cc(O)cc1,RZYMRAHORMWADH,RZYMRAHORMWADH-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-17-7-6-16(18(26)13-17)12-19-20(27)22-21(28-19)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13,25-26H,8-11,14H2","""AuxInfo=1/0/N:13,12,14,11,15,28,27,7,16,6,17,20,24,9,10,21,25,22,19,2,4,3,8,5,26,23,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCNCCNCCCCCCCCCSCCCCOCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;s22;d24;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-RZYMRAHORMWADH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1223786,O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1c(O)cc(O)cc1,RZYMRAHORMWADH,RZYMRAHORMWADH-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c25-17-7-6-16(18(26)13-17)12-19-20(27)22-21(28-19)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13,25-26H,8-11,14H2","""AuxInfo=1/0/N:13,12,14,11,15,28,27,7,16,6,17,20,24,9,10,21,25,22,19,2,4,3,8,5,26,23,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCNCCNCCCCCCCCCSCCCCOCCOCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s8;s5s16;s4;s2s18;w?19;s20;d21;s22;s22;d24;s25;s25;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-RZZCVJKQCRSTKD_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46869940;CHEMBL1672234,COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl,RZZCVJKQCRSTKD,RZZCVJKQCRSTKD-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O3/c1-27-18-12-13(23-20(26)17-8-4-5-11-22-17)9-10-16(18)24-19(25)14-6-2-3-7-15(14)21/h2-12H,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,23,24,11,12,22,25,10,15,16,13,4,5,21,26,17,9,3,19,7,27,14,6,18,20,8,2/rA:27COCCCNCOCCCCCNCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197;CHEMBL1678441,PubChemAID:2197,2009.0,PubChemAID:2197;PMID:21247167,2009;2011,0,0;1,0,0,1;0,,=,  7.021;  7.000,7.011,0.011000000000000001,0.011000000000000001,2.0,7.011,0.01
-SAASZOVUMKTLAZ_on_Q14416_WT,Low,ChEMBL30,CHEMBL1098725,O=C1OC(COc2ccccc2C(F)(F)F)CN1c1ccccc1,SAASZOVUMKTLAZ,SAASZOVUMKTLAZ-UHFFFAOYSA-N,"InChI=1S/C17H14F3NO3/c18-17(19,20)14-8-4-5-9-15(14)23-11-13-10-21(16(22)24-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2","""AuxInfo=1/0/N:22,21,23,10,9,20,24,11,8,17,5,19,4,12,7,2,13,14,15,16,18,1,6,3/E:(2,3)(6,7)(18,19,20)/rA:24OCOCCOCCCCCCCFFFCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s13;s13;s4;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SACNVDXYOZXPHX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112899,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)nc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,SACNVDXYOZXPHX,SACNVDXYOZXPHX-UHFFFAOYSA-N,"InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)18-11-32(31-30-18)10-12-3-5-14-15(13-4-6-19(23)28-9-13)8-17(20(27)33)29-16(14)7-12/h3-9,11,34H,2,10H2,1H3,(H2,27,33)","""AuxInfo=1/1/N:1,2,10,15,11,16,28,21,20,8,6,9,14,12,13,27,22,5,17,23,3,31,18,32,33,34,24,19,26,30,29,7,25,4/E:(24,25,26)/rA:34CCCOCCNCCCCCCCCCCFNCCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-SAIRVAYGVLKBIG_on_P14867_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.350;  7.350,7.35,0.0,0.0,2.0,7.35,0.0
-SAIRVAYGVLKBIG_on_P18507_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823761;CHEMBL685337;CHEMBL824294;CHEMBL822162;CHEMBL678329;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  6.160;  6.420;  6.270;  7.350;  7.350;  6.160;  6.270;  6.420,6.55,0.47100000000000003,0.17800000000000002,8.0,6.345,0.13
-SAIRVAYGVLKBIG_on_P28472_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL823761;CHEMBL822162;CHEMBL681480;CHEMBL685337;CHEMBL681248;CHEMBL678329;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;2000;1998;2000;2000;2000,0,0,0,1,0,,=,  6.270;  6.160;  7.350;  6.420;  6.420;  6.270;  7.350;  6.160,6.55,0.47100000000000003,0.17800000000000002,8.0,6.345,0.13
-SAIRVAYGVLKBIG_on_P31644_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685337,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  6.420;  6.420,6.42,0.0,0.0,2.0,6.42,0.0
-SAIRVAYGVLKBIG_on_P34903_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-SAIRVAYGVLKBIG_on_P47869_WT,Low,ChEMBL30,CHEMBL84921,CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1,SAIRVAYGVLKBIG,SAIRVAYGVLKBIG-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-3-6-21-10-4-5-13-11(7-10)15-12(9-20-2)16(17)18-8-14(15)19-13/h4-5,7-8,19H,3,6,9H2,1-2H3,(H2,17,18)","""AuxInfo=1/1/N:1,15,2,6,7,3,21,19,13,5,20,12,8,10,11,16,17,18,9,14,4/rA:21CCCOCCCCNCCCCOCCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;s16;s10d18;s8s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824294,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  6.270;  6.270,6.27,0.0,0.0,2.0,6.27,0.0
-SAJDGDCMMHSQEI_on_P41594_WT,High,ChEMBL30,CHEMBL2151618,CC1CCC(C(=O)N2CC(c3nc(-c4cccc(F)c4)no3)C2)CC1,SAJDGDCMMHSQEI,SAJDGDCMMHSQEI-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2/c1-12-5-7-13(8-6-12)19(24)23-10-15(11-23)18-21-17(22-25-18)14-3-2-4-16(20)9-14/h2-4,9,12-13,15H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,3,25,4,24,20,9,23,2,5,14,10,18,13,11,6,19,12,21,8,7,22/E:(5,6)(7,8)(10,11)/rA:25CCCCCCONCCCNCCCCCCFCNOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;s8s10;s5;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-SAJYYYDERYTGGP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112692,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1,SAJYYYDERYTGGP,SAJYYYDERYTGGP-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O/c1-13-9-17(5-6-19(13)23)22-25-21(18-10-14(2)24-15(3)11-18)20-7-8-27-16(4)12-26(20)22/h5-6,9-11,16H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:21,1,26,11,16,17,7,8,22,3,24,12,20,2,25,10,15,4,18,6,5,14,19,27,23,13,9/E:(2,3)(10,11)(14,15)/rA:27CCCCCCCCOCCCNCCCCCClCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.690,7.69,0.0,0.0,1.0,7.69,0.0
-SAKDTAGMLZIMLF_on_Q13255_WT,High,ChEMBL30,CHEMBL3758967,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)ncs1,SAKDTAGMLZIMLF,SAKDTAGMLZIMLF-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O3S/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(20)7-11)24-18(26)12-4-2-10(21)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,24,18,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCFCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.200;  7.200,7.2,0.0,0.0,2.0,7.2,0.0
-SAKDTAGMLZIMLF_on_Q14833_WT,High,ChEMBL30,CHEMBL3758967,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)ncs1,SAKDTAGMLZIMLF,SAKDTAGMLZIMLF-UHFFFAOYSA-N,"InChI=1S/C19H11ClFN3O3S/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(20)7-11)24-18(26)12-4-2-10(21)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,24,18,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCFCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-SAPQZYMPGUOQOF_on_O15399_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.680;  6.620,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_O60391_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.680;  6.620,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.680;  6.620,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_Q05586_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.680;  6.620,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_Q12879_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.620;  6.680,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_Q13224_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611;CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.620;  6.680,6.65,0.03,0.03,2.0,6.65,0.03
-SAPQZYMPGUOQOF_on_Q14957_WT,Low,ChEMBL30,CHEMBL312600,N=C(Nc1c(I)cccc1)Nc1c(I)cccc1,SAPQZYMPGUOQOF,SAPQZYMPGUOQOF-UHFFFAOYSA-N,"InChI=1S/C13H11I2N3/c14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,9,17,7,15,10,18,5,13,4,12,2,6,14,1,3,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:18NCNCCICCCCNCCICCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612;CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.680;  6.620,6.65,0.03,0.03,2.0,6.65,0.03
-SASQXVYCNSWHEU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115420,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1,SASQXVYCNSWHEU,SASQXVYCNSWHEU-UHFFFAOYSA-N,"InChI=1S/C24H26ClN3O2/c1-14-10-18(11-15(2)26-14)23-21-8-9-29-16(3)13-28(21)24(27-23)17-4-7-22(20(25)12-17)30-19-5-6-19/h4,7,10-12,16,19H,5-6,8-9,13H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,21,22,17,7,8,3,27,25,12,2,28,10,15,4,20,23,6,18,5,14,24,30,26,13,9,19/E:(1,2)(5,6)(10,11)(14,15)/rA:30CCCCCCCCOCCCNCCCCCOCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-SATFZFCGZXSJAC_on_P41594_WT,High,ChEMBL30,CHEMBL1779873,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccc1Cl)cc2,SATFZFCGZXSJAC,SATFZFCGZXSJAC-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O/c22-19-8-4-1-5-15(19)9-10-16-11-12-18-20(23-16)13-14-24(21(18)25)17-6-2-3-7-17/h1,4-5,8,11-12,17H,2-3,6-7,13-14H2","""AuxInfo=1/0/N:19,10,11,20,18,9,12,21,16,15,24,25,5,6,17,14,8,3,22,4,2,23,13,7,1/E:(2,3)(6,7)/rA:25OCCCCCNCCCCCNCCCCCCCCCClCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s22;s14;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-SATNCABEKXHUKZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3945008;CHEMBL4114895,O=C1OC2CCCC2CN1c1ccc(C#Cc2ccccc2)cn1,SATNCABEKXHUKZ,SATNCABEKXHUKZ-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c23-20-22(14-17-7-4-8-18(17)24-20)19-12-11-16(13-21-19)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-13,17-18H,4,7-8,14H2","""AuxInfo=1/0/N:20,19,21,6,18,22,7,5,16,15,13,12,23,9,17,14,8,4,11,2,24,10,1,3/E:(2,3)(5,6)/rA:24OCOCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570;  7.370,7.47,0.1,0.1,2.0,7.47,0.1
-SAUGHCXILOWEQR_on_Q13255_WT,High,ChEMBL30,CHEMBL1951674,COc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)c(C)c1,SAUGHCXILOWEQR,SAUGHCXILOWEQR-UHFFFAOYSA-N,"InChI=1S/C19H16N2O3S/c1-11-10-12(23-2)4-5-14(11)21-9-7-13-16-15(24-3)6-8-20-18(16)25-17(13)19(21)22/h4-10H,1-3H3","""AuxInfo=1/0/N:24,1,17,4,5,18,9,19,8,25,23,3,10,6,15,14,11,13,21,20,7,22,2,16,12/rA:25COCCCCNCCCCSCCCOCCCNCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d15;s18;s13d19;s7s11;d21;s6;s23;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-SAXJBNCVBXKLBA_on_O00591_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_O14764_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P14867_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P18505_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P18507_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P28472_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P31644_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P34903_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P41594_WT,High,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  7.550;  7.660,7.605,0.055,0.055,2.0,7.605,0.055
-SAXJBNCVBXKLBA_on_P47869_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P47870_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P48169_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_P78334_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_Q16445_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SAXJBNCVBXKLBA_on_Q99928_WT,Low,ChEMBL30,CHEMBL1946770,Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1,SAXJBNCVBXKLBA,SAXJBNCVBXKLBA-UHFFFAOYSA-N,"InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3","""AuxInfo=1/0/N:1,20,7,14,17,8,13,18,5,4,22,10,2,19,6,15,9,12,16,3,21,11/E:(4,5)(7,8)/rA:22CCNCCCCCCCNCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s9d19;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SBAPISQMMJYQLI_on_P31644_WT,High,ChEMBL30,CHEMBL3681537,Cc1c(COc2ccc(C(=O)N3CCC3)cn2)c(-c2ccccc2)no1,SBAPISQMMJYQLI,SBAPISQMMJYQLI-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-14-17(19(22-26-14)15-6-3-2-4-7-15)13-25-18-9-8-16(12-21-18)20(24)23-10-5-11-23/h2-4,6-9,12H,5,10-11,13H2,1H3","""AuxInfo=1/0/N:1,22,21,23,14,20,24,8,7,13,15,16,4,2,19,9,3,6,18,10,17,25,12,11,5,26/E:(3,4)(6,7)(10,11)/rA:26CCCCOCCCCCONCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s12s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-SBDBQMZCLBOJPE_on_P14867_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.880;  7.880,7.88,0.0,0.0,2.0,7.88,0.0
-SBDBQMZCLBOJPE_on_P18507_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL685338;CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL683047;CHEMBL823916;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648,2000;1998;2000;2000;2000;1998;1998;1998,0,0,0,1,0,,=,  6.930;  9.110;  9.110;  7.420;  7.880;  6.930;  7.420;  7.880,7.835,0.809,0.306,8.0,7.65,0.475
-SBDBQMZCLBOJPE_on_P28472_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685338;CHEMBL822165;CHEMBL823916;CHEMBL678329;CHEMBL683045;CHEMBL682251;CHEMBL681480;CHEMBL683047,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648,1998;1998;1998;2000;2000;2000;2000;1998,0,0,0,1,0,,=,  9.110;  7.880;  7.420;  7.880;  6.930;  7.420;  9.110;  6.930,7.835,0.809,0.306,8.0,7.65,0.475
-SBDBQMZCLBOJPE_on_P31644_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  9.110;  9.110,9.11,0.0,0.0,2.0,9.11,0.0
-SBDBQMZCLBOJPE_on_P34903_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.420;  7.420,7.42,0.0,0.0,2.0,7.42,0.0
-SBDBQMZCLBOJPE_on_Q16445_WT,Low,ChEMBL30,CHEMBL339165,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O,SBDBQMZCLBOJPE,SBDBQMZCLBOJPE-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3","""AuxInfo=1/0/N:10,11,12,21,22,1,23,24,18,3,14,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8/E:(1,2,3)(4,5)/rA:26CNCCCCOOCCCCNCNCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.930;  6.930,6.93,0.0,0.0,2.0,6.93,0.0
-SBDWTBISUBYOMI_on_Q14833_WT,High,ChEMBL30,CHEMBL3798040,Fc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,SBDWTBISUBYOMI,SBDWTBISUBYOMI-UHFFFAOYSA-N,"InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,17,2,13,8,7,18,1,9,6,14,15/rA:18FCCCCNCCNCCCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470;CHEMBL3804042;CHEMBL3804042,PATENT:US9163015B2,2015.0,PMID:29958762;PMID:27131990;PMID:27131990,2018;2016;2016,0,1,0,0,0,,=,  7.170;  7.170;  7.170,7.17,0.0,0.0,3.0,7.17,0.0
-SBEYFGRWTIYTGH_on_P14867_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-SBEYFGRWTIYTGH_on_P18507_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600;  6.540;  7.920;  7.290,7.087999999999999,0.564,0.326,4.0,6.945,0.375
-SBEYFGRWTIYTGH_on_P28472_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600;  7.290;  6.540;  7.920,7.087999999999999,0.564,0.326,4.0,6.945,0.375
-SBEYFGRWTIYTGH_on_P31644_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-SBEYFGRWTIYTGH_on_P34903_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-SBEYFGRWTIYTGH_on_P47869_WT,Low,ChEMBL30,CHEMBL178837,Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,SBEYFGRWTIYTGH,SBEYFGRWTIYTGH-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(29-26-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,2,26,23,12,5,21,22,11,20,8,29,18,19,9,3,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNOCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-SBFACNJRXPIVQP_on_P41594_WT,High,ChEMBL30,CHEMBL380422,Fc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1F,SBFACNJRXPIVQP,SBFACNJRXPIVQP-UHFFFAOYSA-N,InChI=1S/C15H9F2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H,"""AuxInfo=1/0/N:14,15,13,4,3,8,16,9,19,5,2,20,12,7,11,1,21,17,10,18,6/rA:21FCCCCSCCCNCCCCCCNNCCF/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-SBLMAORAZUXHPI_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1808888;CHEMBL1808888;56673926,Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1,SBLMAORAZUXHPI,SBLMAORAZUXHPI-UHFFFAOYSA-N,"InChI=1S/C20H18FN3OS/c1-13-8-17(14-4-2-5-15(21)9-14)23-10-16(13)18-6-3-7-24(18)20(25)19-11-22-12-26-19/h2,4-5,8-12,18H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,3,11,13,23,25,2,5,9,14,4,15,22,20,10,24,12,19,21,26/rA:26CCCCCCCCCFCNCCCCCCNCOCCNCS/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s5d9;d4;s12;s2d13;s14;s15;s16;s17;s15s18;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  7.520;  6.960;  7.523,7.334,0.265,0.187,3.0,7.52,0.003
-SBMKNTAWWGNUEN_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL202003;11500296,Cc1nc(C#Cc2ccc(-c3ccc(F)cc3)nc2)cs1,SBMKNTAWWGNUEN,SBMKNTAWWGNUEN-UHFFFAOYSA-N,"InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h3-7,9-11H,1H3","""AuxInfo=1/0/N:1,6,8,12,17,13,16,5,9,19,20,2,7,11,14,4,10,15,18,3,21/E:(4,5)(6,7)/rA:21CCNCCCCCCCCCCCFCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s14;s11d16;s10;s7d18;d4;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  7.990;  7.991,7.99,0.0,0.0,2.0,7.99,0.0
-SBNFEGOZCWQPAQ_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL185054;9979770,Cc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(=O)CC(C)C)c1O,SBNFEGOZCWQPAQ,SBNFEGOZCWQPAQ-UHFFFAOYSA-N,"InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)","""AuxInfo=1/1/N:28,29,1,7,6,12,19,11,20,22,21,8,5,26,27,2,13,10,23,24,3,30,14,15,18,16,17,25,31,9,4/E:(1,2)(6,7)(8,9)(24,25)(26,27)/rA:31CCCOCCCCOCCCCCNNNNCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s14d17;s13;s10d19;s3;d21;s22;s23;d24;s24;s26;s27;s27;s2d23;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240228,PMID:15454221,2004.0,PMID:15501058;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  6.640;  6.640,6.64,0.0,0.0,2.0,6.64,0.0
-SBTKCZKLFLBSNF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3959134,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F,SBTKCZKLFLBSNF,SBTKCZKLFLBSNF-UHFFFAOYSA-N,"InChI=1S/C25H21F5N4O3/c1-3-24(36,25(28,29)30)20-11-34(12-32-20)10-13-4-6-16-17(15-7-5-14(37-2)8-18(15)26)9-19(23(31)35)33-22(16)21(13)27/h4-9,11-12,36H,3,10H2,1-2H3,(H2,31,35)","""AuxInfo=1/1/N:1,19,2,10,16,11,15,20,23,8,6,32,9,17,14,12,13,21,24,5,30,29,25,3,34,22,31,35,36,37,26,33,28,7,27,4,18/E:(28,29,30)/rA:37CCCOCCNCCCCCCCCCCOCCCFCCCNONCCFCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s21;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s30;s7;s5d32;s3;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-SBUHILQFLYGCOQ_on_Q14833_WT,High,ChEMBL30,CHEMBL3809447,O=C(Nc1cn(S(=O)(=O)Cc2ccc(F)cc2Cl)cc1)c1ccccn1,SBUHILQFLYGCOQ,SBUHILQFLYGCOQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S/c18-15-9-13(19)5-4-12(15)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)","""AuxInfo=1/1/N:23,24,22,12,13,20,25,19,16,5,10,11,14,4,17,21,2,18,15,26,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCCCCCFCCClCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;d11;s12;d13;s14;s14;s11d16;s17;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  7.070;  7.080,7.075,0.005,0.005,2.0,7.075,0.005
-SBVOTVOGQYZEOU_on_P18507_WT,Low,ChEMBL30,CHEMBL379996,Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1,SBVOTVOGQYZEOU,SBVOTVOGQYZEOU-UHFFFAOYSA-N,"InChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,25,27,15,24,28,14,16,20,7,4,23,21,13,6,22,12,9,5,19,3,18,10,2,11,8,17/E:(3,4)(6,7)/rA:28CNNCNCCOCNNCCCCCSNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-SBVOTVOGQYZEOU_on_P28472_WT,Low,ChEMBL30,CHEMBL379996,Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1,SBVOTVOGQYZEOU,SBVOTVOGQYZEOU-UHFFFAOYSA-N,"InChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,25,27,15,24,28,14,16,20,7,4,23,21,13,6,22,12,9,5,19,3,18,10,2,11,8,17/E:(3,4)(6,7)/rA:28CNNCNCCOCNNCCCCCSNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-SBVOTVOGQYZEOU_on_P34903_WT,Low,ChEMBL30,CHEMBL379996,Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1,SBVOTVOGQYZEOU,SBVOTVOGQYZEOU-UHFFFAOYSA-N,"InChI=1S/C19H15N7OS/c1-25-16(20-12-22-25)11-27-19-17(13-6-3-2-4-7-13)14-10-21-23-18(26(14)24-19)15-8-5-9-28-15/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,26,25,27,15,24,28,14,16,20,7,4,23,21,13,6,22,12,9,5,19,3,18,10,2,11,8,17/E:(3,4)(6,7)/rA:28CNNCNCCOCNNCCCCCSNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;d19;s11s20;s9d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-SBWJTKFIQNCGTE_on_P14867_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SBWJTKFIQNCGTE_on_P18507_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-SBWJTKFIQNCGTE_on_P28472_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-SBWJTKFIQNCGTE_on_P31644_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-SBWJTKFIQNCGTE_on_P34903_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SBWJTKFIQNCGTE_on_P47869_WT,Low,ChEMBL30,CHEMBL178633,c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SBWJTKFIQNCGTE,SBWJTKFIQNCGTE-UHFFFAOYSA-N,"InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2","""AuxInfo=1/0/N:1,14,2,29,13,15,3,28,12,16,24,26,23,27,5,4,25,22,11,20,21,10,19,7,17,18,8,9,6/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29CCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SCAPGUIFNHZJLH_on_O00591_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_O14764_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_P14867_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.480;  5.850,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P18505_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.480;  5.850,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P18507_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_P28472_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.480;  5.850,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P31644_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.480;  5.850,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P34903_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.850;  7.480,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P47869_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.850;  7.480,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P47870_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;0,0;1,0,0,0,,=,  7.480;  5.850,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P48169_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.850;  7.480,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_P78334_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCAPGUIFNHZJLH_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1,1;0,0,0,0,,=,  5.850;  7.480,6.665,0.815,0.815,2.0,6.665,0.815
-SCAPGUIFNHZJLH_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427546,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1,SCAPGUIFNHZJLH,SCAPGUIFNHZJLH-UHFFFAOYSA-N,"InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-9-12-28-14-18(24)15-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,30,29,5,12,25,4,13,26,32,28,22,19,7,23,6,11,10,31,16,24,17,2,14,27,21,20,18,3/rA:32CCOCCCCCCCCCCCCCCOCNNCCCCCNCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s24;d25;s26;s23d27;s16;s29;s10s14s30;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SCDOWBCOOBTCSY_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,49782573;CHEMBL1257273,N#Cc1cc(N2CCc3c(C2)nc(-c2ccccn2)o3)cc(F)c1,SCDOWBCOOBTCSY,SCDOWBCOOBTCSY-UHFFFAOYSA-N,"InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-17-16(11-23)22-18(24-17)15-3-1-2-5-21-15/h1-3,5,7-9H,4,6,11H2","""AuxInfo=1/0/N:16,17,15,8,18,7,24,4,21,2,11,3,22,5,14,10,9,13,23,1,19,12,6,20/rA:24NCCCCNCCCCCNCCCCCCNOCCFC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s6s10;s10;d12;s13;d14;s15;d16;s17;s14d18;s9s13;d5;s21;s22;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:516922;CHEMBL1259400,PMID:20809633,2010.0,PubChemAID:516922;PMID:20809633,2011;2010,0;1,0,0,0,1;0,,=,  7.553;  7.550,7.551,0.002,0.002,2.0,7.551,0.002
-SCFTWYRRDFJRSO_on_Q14416_WT,High,ChEMBL30,CHEMBL593745,Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccc2,SCFTWYRRDFJRSO,SCFTWYRRDFJRSO-UHFFFAOYSA-N,"InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3","""AuxInfo=1/0/N:1,26,25,27,24,10,18,11,17,7,19,6,20,4,9,8,12,22,23,3,13,14,15,16,21,2,5/E:(6,7)(8,9)(10,11)(12,13)(22,23,24)/rA:27CNCCNCCCCCCCCFFFCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.700;  7.000,6.35,0.65,0.65,2.0,6.35,0.65
-SCFZEMYVTLMMMZ_on_O00591_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_O14764_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P14867_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P18505_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P18507_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P28472_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P31644_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P34903_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P47869_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P47870_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P48169_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_P78334_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCFZEMYVTLMMMZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL293556,COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1,SCFZEMYVTLMMMZ,SCFZEMYVTLMMMZ-UHFFFAOYSA-N,"InChI=1S/C16H11BrO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SCGMBYSQQNHWDV_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682824;CHEMBL1682824;53321035,O=C1CCOc2c1ccc(C=Cc1ccccc1)n2,SCGMBYSQQNHWDV,SCGMBYSQQNHWDV-UHFFFAOYSA-N,"InChI=1S/C16H13NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-9H,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,13,10,7,2,6,19,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;w?11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PubChemAID:579858,2011,0,1;1;0,0,0,0;0;1,,=,  6.620;  6.620;  6.620,6.62,0.0,0.0,3.0,6.62,0.0
-SCHCEXMOLBCSMV_on_P41594_WT,High,ChEMBL30,CHEMBL3601906,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCC3)cn2)cn1,SCHCEXMOLBCSMV,SCHCEXMOLBCSMV-UHFFFAOYSA-N,"InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,23,22,24,3,4,18,19,10,25,27,2,21,11,5,8,12,7,14,16,9,17,28,26,6,13,15,20/E:(3,4)/rA:28CCCCCNCCClCCCNCOCNCCSCCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s22;s21s23;s11;s7d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-SCNVAPBORONMNB_on_P31644_WT,High,ChEMBL30,CHEMBL3676484,Cc1c(COc2ccc(C(=O)NC3CCOC(C)(C)C3)cn2)c(-c2ccccc2)no1,SCNVAPBORONMNB,SCNVAPBORONMNB-UHFFFAOYSA-N,"InChI=1S/C24H27N3O4/c1-16-20(22(27-31-16)17-7-5-4-6-8-17)15-29-21-10-9-18(14-25-21)23(28)26-19-11-12-30-24(2,3)13-19/h4-10,14,19H,11-13,15H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:1,18,19,27,26,28,25,29,8,7,14,15,20,21,4,2,24,9,13,3,6,23,10,17,22,12,30,11,5,16,31/E:(2,3)(5,6)(7,8)/rA:31CCCCOCCCCCONCCCOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s17;s13s17;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-SCOBFXVAWLTPQZ_on_Q14416_WT,High,ChEMBL30,CHEMBL4076286,FC(F)(F)c1c(-c2cc(Cl)c(CNC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12,SCOBFXVAWLTPQZ,SCOBFXVAWLTPQZ-UHFFFAOYSA-N,"InChI=1S/C23H24ClF3N4O/c24-19-12-15(3-4-16(19)13-28-17-6-9-32-10-7-17)18-5-8-31-20(11-14-1-2-14)29-30-22(31)21(18)23(25,26)27/h3-5,8,12,14,17,28H,1-2,6-7,9-11,13H2","""AuxInfo=1/0/N:28,29,21,20,22,15,19,23,16,18,26,8,12,27,7,11,14,6,9,25,5,32,2,10,1,3,4,13,30,31,24,17/E:(1,2)(6,7)(9,10)(25,26,27)/rA:32FCFFCCCCCClCCNCCCOCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;s7d20;s6;d22;s23;s24;s25;s26;s27;s27s28;d25;s30;s5s24d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.270;  6.200;  7.210,6.893,0.491,0.34700000000000003,3.0,7.21,0.06
-SCOCPYQHQIYRTR_on_P14867_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-SCOCPYQHQIYRTR_on_P18507_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822162;CHEMBL685337;CHEMBL823761;CHEMBL824294,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.600;  6.800;  7.230;  7.080,7.178,0.289,0.16699999999999998,4.0,7.155,0.215
-SCOCPYQHQIYRTR_on_P28472_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL822162;CHEMBL685337;CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.080;  7.600;  6.800;  7.230,7.178,0.289,0.16699999999999998,4.0,7.155,0.215
-SCOCPYQHQIYRTR_on_P31644_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-SCOCPYQHQIYRTR_on_P34903_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-SCOCPYQHQIYRTR_on_P47869_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-SCOCPYQHQIYRTR_on_Q16445_WT,Low,ChEMBL30,CHEMBL83464,COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1,SCOCPYQHQIYRTR,SCOCPYQHQIYRTR-UHFFFAOYSA-N,"InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,26,27,16,7,19,3,11,20,17,15,4,14,6,5,9,8,10,13,2,18,12/E:(3,4)(5,6)/rA:27COCCCCCNCNCSNCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;d11;s6;s13;s5d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046,PMID:9651158,1998.0,PMID:9651158,1998,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCOTVKYJDVTBLI_on_P41594_WT,High,ChEMBL30,CHEMBL3086720,COC(=O)N1CCC2(CC1)CC(O)(C#Cc1cc(C)ccc1)CO2,SCOTVKYJDVTBLI,SCOTVKYJDVTBLI-UHFFFAOYSA-N,"InChI=1S/C19H23NO4/c1-15-4-3-5-16(12-15)6-7-18(22)13-19(24-14-18)8-10-20(11-9-19)17(21)23-2/h3-5,12,22H,8-11,13-14H2,1-2H3","""AuxInfo=1/0/N:19,1,21,20,22,15,14,7,9,6,10,17,11,23,18,16,3,12,8,5,4,13,2,24/E:(8,9)(10,11)/rA:24COCONCCCCCCCOCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s11;s12;s12;t14;s15;d16;s17;s18;d18;s20;s16d21;s12;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425,PMID:24125886,2013.0,PMID:24125886,2013,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-SCQACYJRFBVXLW_on_P41594_WT,High,ChEMBL30,CHEMBL186666,N#Cc1cccc(-c2nn(-c3ncccc3)nc2)c1,SCQACYJRFBVXLW,SCQACYJRFBVXLW-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)13-10-17-19(18-13)14-6-1-2-7-16-14/h1-8,10H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,18,3,7,8,11,1,12,17,9,10/rA:19NCCCCCCCNNCNCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-SCQCBCDZDFBKIQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3982294,COc1ccc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cn1,SCQCBCDZDFBKIQ,SCQCBCDZDFBKIQ-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2/c1-26-12-15(11-24-26)17-9-19(21(22)27)25-18-8-13(3-5-16(17)18)7-14-4-6-20(28-2)23-10-14/h3-6,8-12H,7H2,1-2H3,(H2,22,27)","""AuxInfo=1/1/N:16,1,9,5,10,4,7,26,19,27,18,14,8,6,13,11,12,25,20,3,21,22,28,17,24,15,23,2/rA:28COCCCCCCCCCCCCNCNCCCCNONCCCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s20;s21;d21;d20;s11s24;s8d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-SCSSZXFNHBOMBS_on_P41594_WT,Low,ChEMBL30,CHEMBL1783869,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,SCSSZXFNHBOMBS,SCSSZXFNHBOMBS-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2S/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(27-19)20(25)24(11-23-17)13-4-6-14(26-3)7-5-13/h4-9,11H,1,10H2,2-3H3,(H,21,22)","""AuxInfo=1/1/N:1,3,23,19,25,20,24,11,10,4,16,2,18,21,6,7,14,13,8,26,9,5,15,17,27,22,12/E:(4,5)(6,7)/rA:27CCCCNCCCNCCSCCNCNCCCCOCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-SCSSZXFNHBOMBS_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1783869;54585406,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,SCSSZXFNHBOMBS,SCSSZXFNHBOMBS-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2S/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(27-19)20(25)24(11-23-17)13-4-6-14(26-3)7-5-13/h4-9,11H,1,10H2,2-3H3,(H,21,22)","""AuxInfo=1/1/N:1,3,23,19,25,20,24,11,10,4,16,2,18,21,6,7,14,13,8,26,9,5,15,17,27,22,12/E:(4,5)(6,7)/rA:27CCCCNCCCNCCSCCNCNCCCCOCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.980;  7.983,7.982,0.001,0.001,2.0,7.982,0.001
-SCSVGQRRKADJJI_on_O15399_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-SCSVGQRRKADJJI_on_O60391_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-SCSVGQRRKADJJI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-SCSVGQRRKADJJI_on_Q05586_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708;CHEMBL1805121,PMID:15225705,2004.0,PMID:15225705;PMID:15225705;PMID:21453995,2004;2004;2011,1,0,0,0,0,,=,  8.400;  8.220;  8.100,8.24,0.12300000000000001,0.087,3.0,8.22,0.12
-SCSVGQRRKADJJI_on_Q12879_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-SCSVGQRRKADJJI_on_Q13224_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL1805121;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705;PMID:21453995;PMID:15225705,2004;2011;2004,1,0,0,0,0,,=,  8.400;  8.100;  8.220,8.24,0.12300000000000001,0.087,3.0,8.22,0.12
-SCSVGQRRKADJJI_on_Q14957_WT,Low,ChEMBL30,CHEMBL363010,O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1,SCSVGQRRKADJJI,SCSVGQRRKADJJI-UHFFFAOYSA-N,"InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)","""AuxInfo=1/1/N:24,23,25,22,26,5,6,18,27,17,28,20,13,21,19,4,7,12,2,14,9,3,8,11,16,1,15,10/E:(2,3)(4,5)(8,9)(10,11)/rA:28OCNCCCCNCONCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s7s11;s4d12;s2;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s19;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-SCTZKFKXAHFZDC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3918111,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1OC(F)(F)F,SCTZKFKXAHFZDC,SCTZKFKXAHFZDC-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O3/c1-13-10-16(11-14(2)26-13)20-17-6-8-30-9-7-28(17)21(27-20)15-4-5-18(19(12-15)29-3)31-22(23,24)25/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,17,26,3,8,6,28,29,30,31,13,7,23,2,20,27/E:(1,2)(10,11)(13,14)(23,24,25)/rA:31COCCCCNCCCCCNCCCCCCOCCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-SCUXCFWYAJSHJI_on_O00591_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL683061;CHEMBL683060;CHEMBL683063;CHEMBL683065;CHEMBL683062;CHEMBL683063;CHEMBL683064;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;0;1;1;1;1;1;1;1;1;1,0;1;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.830;  3.409;  4.060;  3.839;  3.174;  5.580;  5.600;  5.390;  4.080;  4.680;  5.460,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_O14764_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL683063;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683065;CHEMBL683062;CHEMBL683065;CHEMBL683060;CHEMBL683061;CHEMBL683064;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;0;1;1;1,0;0;0;0;0;0;0;1;0;0;0,0,0,0,,=,  4.060;  5.390;  5.600;  4.680;  3.839;  3.174;  5.460;  3.409;  3.830;  4.080;  5.580,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P14867_WT,Low,ChEMBL30,CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL683065;CHEMBL683064;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683064;CHEMBL683063;CHEMBL683061;CHEMBL683065;CHEMBL683060;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;0;1,0;0;0;0;0;0;0;0;0;1;0,0,0,0,,=,  5.460;  5.600;  4.680;  5.390;  4.060;  4.080;  5.580;  3.830;  3.839;  3.409;  3.174,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P18505_WT,Low,ChEMBL30,CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL683061;CHEMBL683065;CHEMBL683064;CHEMBL683063;CHEMBL683063;CHEMBL683064;CHEMBL683062;CHEMBL683060;CHEMBL683062;CHEMBL683061;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;0;1;1;1,0;0;0;0;0;0;0;1;0;0;0,0,0,0,,=,  5.390;  5.460;  5.600;  5.580;  4.060;  4.080;  4.680;  3.409;  3.174;  3.830;  3.839,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P18507_WT,Low,ChEMBL30,CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683065;CHEMBL683063;CHEMBL683062;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683063;CHEMBL683065;CHEMBL683060;CHEMBL683061;CHEMBL683064,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;0;1;1,0;0;0;0;0;0;0;0;1;0;0,0,0,0,,=,  5.460;  4.060;  4.680;  5.390;  4.080;  3.174;  5.580;  3.839;  3.409;  3.830;  5.600,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P28472_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683064;CHEMBL683061;CHEMBL683062;CHEMBL683063;CHEMBL683065;CHEMBL683065;CHEMBL683060;CHEMBL683062;CHEMBL683063;CHEMBL683064;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;0;1;1;1;1,0;0;0;0;0;0;1;0;0;0;0,0,0,0,,=,  4.080;  3.830;  3.174;  5.580;  3.839;  5.460;  3.409;  4.680;  4.060;  5.600;  5.390,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P31644_WT,Low,ChEMBL30,CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL683060;CHEMBL683062;CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683064;CHEMBL683063;CHEMBL683064;CHEMBL683062;CHEMBL683061;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,0;1;1;1;1;1;1;1;1;1;1,1;0;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.409;  3.174;  3.839;  3.830;  4.060;  4.080;  5.580;  5.600;  4.680;  5.390;  5.460,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P34903_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683064;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683065;CHEMBL683060;CHEMBL683062;CHEMBL683061;CHEMBL683063;CHEMBL683064;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;0;1;1;1;1;1,0;0;0;0;0;1;0;0;0;0;0,0,0,0,,=,  4.080;  5.580;  3.174;  3.839;  5.460;  3.409;  4.680;  5.390;  4.060;  5.600;  3.830,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P47869_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683061;CHEMBL683063;CHEMBL683065;CHEMBL683065;CHEMBL683060;CHEMBL683063;CHEMBL683064;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;0;1;1;1;1;1;1,0;0;0;0;1;0;0;0;0;0;0,0,0,0,,=,  3.830;  5.580;  5.460;  3.839;  3.409;  4.060;  5.600;  5.390;  4.080;  4.680;  3.174,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P47870_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL683065;CHEMBL683060;CHEMBL683064;CHEMBL683061;CHEMBL683062;CHEMBL683064;CHEMBL683061;CHEMBL683065;CHEMBL683062;CHEMBL683063;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,1;0;1;1;1;1;1;1;1;1;1,0;1;0;0;0;0;0;0;0;0;0,0,0,0,,=,  3.839;  3.409;  5.600;  3.830;  3.174;  4.080;  5.390;  5.460;  4.680;  5.580;  4.060,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P48169_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL683063;CHEMBL683061;CHEMBL683064;CHEMBL683061;CHEMBL683065;CHEMBL683062;CHEMBL683065;CHEMBL683062;CHEMBL683064;CHEMBL683063;CHEMBL683060,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;1;0,0;0;0;0;0;0;0;0;0;0;1,0,0,0,,=,  4.060;  3.830;  4.080;  5.390;  3.839;  3.174;  5.460;  4.680;  5.600;  5.580;  3.409,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_P78334_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL683062;CHEMBL683065;CHEMBL683061;CHEMBL683060;CHEMBL683064;CHEMBL683064;CHEMBL683063;CHEMBL683062;CHEMBL683065;CHEMBL683061;CHEMBL683063,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;1;1;1;1;1;1,0;0;0;1;0;0;0;0;0;0;0,0,0,0,,=,  3.174;  3.839;  3.830;  3.409;  4.080;  5.600;  4.060;  4.680;  5.460;  5.390;  5.580,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL683063;CHEMBL683062;CHEMBL683064;CHEMBL683064;CHEMBL683062;CHEMBL683061;CHEMBL683065;CHEMBL683060;CHEMBL683063;CHEMBL683065;CHEMBL683061,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;0;1;1;1,0;0;0;0;0;0;0;1;0;0;0,0,0,0,,=,  4.060;  4.680;  5.600;  4.080;  3.174;  3.830;  3.839;  3.409;  5.580;  5.460;  5.390,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL31541;CHEMBL441420;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL683065;CHEMBL683061;CHEMBL683063;CHEMBL683062;CHEMBL683064;CHEMBL683064;CHEMBL683063;CHEMBL683061;CHEMBL683060;CHEMBL683065;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;0;1;1,0;0;0;0;0;0;0;0;1;0;0,0,0,0,,=,  5.460;  5.390;  4.060;  4.680;  4.080;  5.600;  5.580;  3.830;  3.409;  3.839;  3.174,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_Q16445_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683064;CHEMBL683065;CHEMBL683064;CHEMBL683061;CHEMBL683065;CHEMBL683063;CHEMBL683063;CHEMBL683062;CHEMBL683061;CHEMBL683060;CHEMBL683062,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;1;1;1;1;1;1;0;1,0;0;0;0;0;0;0;0;0;1;0,0,0,0,,=,  4.080;  5.460;  5.600;  3.830;  3.839;  4.060;  5.580;  4.680;  5.390;  3.409;  3.174,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCUXCFWYAJSHJI_on_Q99928_WT,Low,ChEMBL30,CHEMBL441420;CHEMBL441420;CHEMBL441420;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL31541;CHEMBL441420;CHEMBL441420;CHEMBL31541,CC(N)C=CC(=O)O,SCUXCFWYAJSHJI,SCUXCFWYAJSHJI-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H,7,8)","""AuxInfo=1/1/N:1,4,5,2,6,3,7,8/E:(7,8)/rA:8CCNCCCOO/rB:s1;s2;s2;w?4;s5;d6;s6;/rC:;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL683061;CHEMBL683062;CHEMBL683065;CHEMBL683060;CHEMBL683061;CHEMBL683064;CHEMBL683062;CHEMBL683063;CHEMBL683063;CHEMBL683064;CHEMBL683065,PMID:6118436,1981.0,PMID:6118436,1981,1;1;1;0;1;1;1;1;1;1;1,0;0;0;1;0;0;0;0;0;0;0,0,0,0,,=,  3.830;  3.174;  3.839;  3.409;  5.390;  5.600;  4.680;  5.580;  4.060;  4.080;  5.460,4.4639999999999995,0.8690000000000001,0.275,11.0,4.08,0.6709999999999999
-SCVDCVQUJSBAAM_on_P41594_WT,High,ChEMBL30,CHEMBL202323,Cc1nc(C#Cc2cccc(F)c2)cs1,SCVDCVQUJSBAAM,SCVDCVQUJSBAAM-UHFFFAOYSA-N,"InChI=1S/C12H8FNS/c1-9-14-12(8-15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,9,8,10,6,5,13,14,2,7,11,4,12,3,15/rA:15CCNCCCCCCCCFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-SCXUQPKHWUFDNI_on_O00222_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3404405,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCXUQPKHWUFDNI_on_O15303_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3404403,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCXUQPKHWUFDNI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3404400,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCXUQPKHWUFDNI_on_Q14416_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3404401,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCXUQPKHWUFDNI_on_Q14831_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3404404,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SCXUQPKHWUFDNI_on_Q14832_WT,High,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3404398,PMID:25683622,2015.0,PMID:25683622,2015,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-SCXUQPKHWUFDNI_on_Q14833_WT,Low,ChEMBL30,CHEMBL3401177,O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12,SCXUQPKHWUFDNI,SCXUQPKHWUFDNI-UHFFFAOYSA-N,"InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","""AuxInfo=1/0/N:21,20,22,19,23,6,9,5,10,12,11,24,16,7,15,4,18,13,2,8,14,3,25,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCNCCCCFCCCCCNCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s3;d11;s12;d13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s2s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3404402,PMID:25683622,2015.0,PMID:25683622,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SDDZGCNKTOUMEI_on_Q14833_WT,High,ChEMBL30,CHEMBL4160675,CCc1nn2c(C(F)(F)F)cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F,SDDZGCNKTOUMEI,SDDZGCNKTOUMEI-UHFFFAOYSA-N,"InChI=1S/C17H12F7N3O/c1-3-11-14(8-5-10(19)12(6-9(8)18)28-16(20)21)15-25-7(2)4-13(17(22,23)24)27(15)26-11/h4-6,16H,3H2,1-2H3","""AuxInfo=1/0/N:1,13,2,11,18,26,12,17,27,19,3,21,6,16,15,23,7,28,20,24,25,8,9,10,14,4,5,22/E:(20,21)(22,23,24)/rA:28CCCNNCCFFFCCCNCCCCCFCOCFFCCF/rB:s1;s2;d3;s4;s5;s6;s7;s7;s7;d6;s11;s12;d12;s5s14;s3d15;s16;d17;s18;s19;d19;s21;s22;s23;s23;s21;s17d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4140822,PMID:29057060,2017.0,PMID:29057060,2017,0,1,0,0,0,,=,  5.680;  5.670,5.675,0.005,0.005,2.0,5.675,0.005
-SDFUPTXFWGOJSL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107450,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CC4)c3)n2)ccn1,SDFUPTXFWGOJSL,SDFUPTXFWGOJSL-UHFFFAOYSA-N,"InChI=1S/C25H29N3O2/c1-16-4-7-21(13-23(16)30-15-19-5-6-19)25-27-24(20-8-10-26-17(2)12-20)22-9-11-29-18(3)14-28(22)25/h4,7-8,10,12-13,18-19H,5-6,9,11,14-15H2,1-3H3","""AuxInfo=1/0/N:19,1,11,17,24,25,16,28,7,29,8,3,26,12,22,18,2,10,23,4,15,6,20,5,14,30,27,13,9,21/E:(5,6)/rA:30CCCCCCCCOCCCNCCCCCCCOCCCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s23s24;s15d20;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SDKAMLLPUNVLLN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3920092,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1,SDKAMLLPUNVLLN,SDKAMLLPUNVLLN-UHFFFAOYSA-N,"InChI=1S/C20H15FN4O3/c21-13-4-2-12(3-5-13)15-8-17(19(22)27)24-16-7-11(1-6-14(15)16)10-25-18(26)9-23-20(25)28/h1-8H,9-10H2,(H2,22,27)(H,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,26,5,22,18,17,7,10,14,6,27,4,20,2,24,11,1,23,28,19,21,3,25/E:(2,3)(4,5)/rA:28NCOCCCCCCCFCCCCCCCNCOCNCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-SDKATNVLPVSSHK_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1808879;CHEMBL1808879;56663549,Cc1c(C2CCCN2C(=O)c2cccnc2)cnc(-c2cc(Cl)ccc2)c1,SDKATNVLPVSSHK,SDKATNVLPVSSHK-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O/c1-15-11-20(16-5-2-7-18(23)12-16)25-14-19(15)21-8-4-10-26(21)22(27)17-6-3-9-24-13-17/h2-3,5-7,9,11-14,21H,4,8,10H2,1H3","""AuxInfo=1/0/N:1,25,13,6,26,12,24,5,14,7,27,21,16,17,2,20,11,22,3,19,4,9,23,15,18,8,10/rA:27CCCCCCCNCOCCCCNCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s3;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,0;1;0,0,0,1;0;0,0;0;1,,=,  6.270;  6.850;  6.854,6.6579999999999995,0.27399999999999997,0.19399999999999998,3.0,6.85,0.004
-SDLBBDLMTIDCII_on_Q13255_WT,High,ChEMBL30,CHEMBL3634437,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1,SDLBBDLMTIDCII,SDLBBDLMTIDCII-UHFFFAOYSA-N,"InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-11-8-19-18(20-9-11)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,26,25,8,23,2,7,15,14,3,4,20,12,10,9,22,6,11,5,21,13,24/E:(2,3)(4,5)(8,9)(12,13)(16,17)(19,20)(24,25)/rA:26CCCCONCCNCNCOCCCCCCCONCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  5.330;  5.340,5.335,0.005,0.005,2.0,5.335,0.005
-SDLBBDLMTIDCII_on_Q14833_WT,High,ChEMBL30,CHEMBL3634437,Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1,SDLBBDLMTIDCII,SDLBBDLMTIDCII-UHFFFAOYSA-N,"InChI=1S/C18H12N4O4/c1-10-6-7-26-14(10)15(23)21-11-8-19-18(20-9-11)22-16(24)12-4-2-3-5-13(12)17(22)25/h2-9H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,26,25,8,23,2,7,15,14,3,4,20,12,10,9,22,6,11,5,21,13,24/E:(2,3)(4,5)(8,9)(12,13)(16,17)(19,20)(24,25)/rA:26CCCCONCCNCNCOCCCCCCCONCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-SDOVNZCGLCORAZ_on_Q14833_WT,High,ChEMBL30,CHEMBL4242783,Cc1noc(COc2nn(C)c3c2ccc(Nc2c4ncccc4n[nH]2)c3)c1,SDOVNZCGLCORAZ,SDOVNZCGLCORAZ-UHFFFAOYSA-N,"InChI=1S/C19H17N7O2/c1-11-8-13(28-25-11)10-27-19-14-6-5-12(9-16(14)26(2)24-19)21-18-17-15(22-23-18)4-3-7-20-17/h3-9H,10H2,1-2H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,11,22,23,15,14,21,28,27,6,2,16,5,13,24,12,19,18,8,20,17,25,26,9,3,10,7,4/rA:28CCNOCCOCNNCCCCCCNCCNCCCCNNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;d22;s19s23;d24;s18s25;s12d16;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-SDPJWXNWBCGINO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109944,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1Cl,SDPJWXNWBCGINO,SDPJWXNWBCGINO-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c1-12-7-14(8-17(27-12)21(25)26)20-18-5-6-31-15(10-24)11-29(18)22(28-20)13-3-4-16(23)19(9-13)30-2/h3-4,7-9,15,21H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:12,1,28,29,20,21,10,18,4,24,26,11,5,9,23,30,14,19,3,8,15,6,31,25,16,17,13,7,27,2,22/E:(25,26)/rA:31COCCCCNCCCCCNCCFFCCCCOCCFCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s24;s23;s6s19s26;d5;s28;s3d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-SDPSTQUUXVTUDE_on_O15399_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_O60391_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPSTQUUXVTUDE_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192481,NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,SDPSTQUUXVTUDE,SDPSTQUUXVTUDE-UHFFFAOYSA-N,"InChI=1S/C9H9N4O7P/c10-7(21(18,19)20)4-1-3(13(16)17)2-5-6(4)12-9(15)8(14)11-5/h1-2,7H,10H2,(H,11,14)(H,12,15)(H2,18,19,20)","""AuxInfo=1/1/N:17,12,13,3,11,4,2,8,6,1,10,5,14,9,7,15,16,19,20,21,18/E:(16,17)(18,19,20)/CRV:13.5/rA:21NCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;d3;s4;d5;s6;s6;s8;d8;s4s10;d11;s12;s13;d14;s14;s3d13;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-SDPXNKGYSRXIBE_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198999,c1cc2c(cc1)c1c(c[n+](CCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SDPXNKGYSRXIBE,SDPXNKGYSRXIBE-UHFFFAOYSA-P,"InChI=1S/C29H28N4/c1(2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32)3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33/h4-7,10-15,18-21H,1-3,8-9,16-17H2/p+2","""AuxInfo=1/5/N:14,13,15,6,28,1,27,12,16,5,29,2,26,32,22,11,17,31,23,9,19,4,24,7,21,3,25,8,20,33,30,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33CCCCCCCCCN+CCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s21;d24;s25;d26;s27;s24d28;s20s25;s10;s7d31;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.210;  4.750,4.98,0.23,0.23,2.0,4.98,0.23
-SDPXNKGYSRXIBE_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198999,c1cc2c(cc1)c1c(c[n+](CCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SDPXNKGYSRXIBE,SDPXNKGYSRXIBE-UHFFFAOYSA-P,"InChI=1S/C29H28N4/c1(2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32)3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33/h4-7,10-15,18-21H,1-3,8-9,16-17H2/p+2","""AuxInfo=1/5/N:14,13,15,6,28,1,27,12,16,5,29,2,26,32,22,11,17,31,23,9,19,4,24,7,21,3,25,8,20,33,30,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33CCCCCCCCCN+CCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s21;d24;s25;d26;s27;s24d28;s20s25;s10;s7d31;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.210,5.21,0.0,0.0,1.0,5.21,0.0
-SDPXNKGYSRXIBE_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198999,c1cc2c(cc1)c1c(c[n+](CCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SDPXNKGYSRXIBE,SDPXNKGYSRXIBE-UHFFFAOYSA-P,"InChI=1S/C29H28N4/c1(2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32)3-9-17-33-19-15-25-23-11-5-7-13-27(23)31-29(25)21-33/h4-7,10-15,18-21H,1-3,8-9,16-17H2/p+2","""AuxInfo=1/5/N:14,13,15,6,28,1,27,12,16,5,29,2,26,32,22,11,17,31,23,9,19,4,24,7,21,3,25,8,20,33,30,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/rA:33CCCCCCCCCN+CCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s21;d24;s25;d26;s27;s24d28;s20s25;s10;s7d31;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-SDQDZNLBAAYACJ_on_Q14416_WT,High,ChEMBL30,CHEMBL595991,FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3c(cccc3)[nH]2)CC1,SDQDZNLBAAYACJ,SDQDZNLBAAYACJ-UHFFFAOYSA-N,"InChI=1S/C18H17ClF3N5/c19-15-6-5-12(18(20,21)22)17(25-15)27-9-7-26(8-10-27)11-16-23-13-3-1-2-4-14(13)24-16/h1-6H,7-11H2,(H,23,24)","""AuxInfo=1/1/N:22,23,21,24,6,7,14,26,13,27,16,5,20,19,8,17,11,2,9,1,3,4,25,18,10,15,12/E:(1,2)(3,4)(7,8)(9,10)(13,14)(20,21,22)(23,24)/rA:27FCFFCCCCClNCNCCNCCNCCCCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s8;s5d10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s19d23;s17s20;s15;s12s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-SDQFFYDDYUONBU_on_O15399_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_O60391_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDQFFYDDYUONBU_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365803,N#Cc1cccc(C=NNC(=N)N)c1,SDQFFYDDYUONBU,SDQFFYDDYUONBU-UHFFFAOYSA-N,"InChI=1S/C9H9N5/c10-5-7-2-1-3-8(4-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","""AuxInfo=1/1/N:5,4,6,14,2,8,3,7,11,1,12,13,9,10/E:(11,12)/rA:14NCCCCCCCNNCNNC/rB:t1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s3d7;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.360,4.36,0.0,0.0,1.0,4.36,0.0
-SDRIEHGRECQMCB_on_Q14416_WT,High,ChEMBL30,CHEMBL3885072,Clc1c(OC2CCc3c(cccc3)C2)ccn2c(CC3CC3)nnc12,SDRIEHGRECQMCB,SDRIEHGRECQMCB-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O/c21-19-17(25-16-8-7-14-3-1-2-4-15(14)12-16)9-10-24-18(11-13-5-6-13)22-23-20(19)24/h1-4,9-10,13,16H,5-8,11-12H2","""AuxInfo=1/0/N:12,11,13,10,21,22,7,6,15,16,19,14,20,8,9,5,3,18,2,25,1,23,24,17,4/E:(5,6)/rA:25ClCCOCCCCCCCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s3;d15;s16;s17;s18;s19;s20;s20s21;d18;s23;s2s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-SDTKBVWSPHTXKM_on_Q14416_WT,High,ChEMBL30,CHEMBL3764173,Cn1c(=O)n(CC(C)(C)C)c2c1cc(OCc1cc(-c3cc(F)cc(C(=O)O)c3)ccc1)cc2,SDTKBVWSPHTXKM,SDTKBVWSPHTXKM-UHFFFAOYSA-N,"InChI=1S/C27H27FN2O4/c1-27(2,3)16-30-23-9-8-22(14-24(23)29(4)26(30)33)34-15-17-6-5-7-18(10-17)19-11-20(25(31)32)13-21(28)12-19/h5-14H,15-16H2,1-4H3,(H,31,32)","""AuxInfo=1/1/N:8,9,10,1,31,32,30,33,34,18,29,21,24,13,16,6,17,19,20,25,22,14,11,12,26,3,7,23,2,5,27,28,4,15/E:(1,2,3)(31,32)/rA:34CNCONCCCCCCCCCOCCCCCCCFCCCOOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;d17;s18;s19;d20;s21;s22;d22;s24;s25;d26;s26;s20d25;d19;s30;s17d31;s14;s11d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-SDWRMYSXYWCWKJ_on_Q14833_WT,High,ChEMBL30,CHEMBL1921854,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)C1CCCCC1,SDWRMYSXYWCWKJ,SDWRMYSXYWCWKJ-UHFFFAOYSA-N,"InChI=1S/C19H20N2O5S2/c22-19(14-6-2-1-3-7-14)20-15-10-12-16(13-11-15)21-27(23,24)17-8-4-5-9-18(17)28(21,25)26/h4-5,8-14H,1-3,6-7H2,(H,20,22)","""AuxInfo=1/1/N:26,25,27,15,16,24,28,14,17,5,22,6,21,23,4,7,13,12,2,3,8,1,19,20,10,11,18,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SDWUPSHVUBKGKN_on_O00591_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_O14764_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P14867_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P18505_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P18507_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P28472_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P31644_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P34903_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P47869_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P47870_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P48169_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_P78334_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_Q16445_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWUPSHVUBKGKN_on_Q99928_WT,Low,ChEMBL30,CHEMBL38465,Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1,SDWUPSHVUBKGKN,SDWUPSHVUBKGKN-UHFFFAOYSA-N,"InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,11,10,12,9,13,4,14,17,2,8,3,7,5,18,16,6,15/E:(3,4)(5,6)/rA:18CCCCCNCCCCCCCCSNCN/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL652512,PMID:2213824,1990.0,PMID:2213824,1990,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SDWVHCXUMZTZQN_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3961017,O=C(Nc1cn(S(=O)(=O)c2cc(Cl)ccc2F)nc1)c1ccccn1,SDWVHCXUMZTZQN,SDWVHCXUMZTZQN-UHFFFAOYSA-N,"InChI=1S/C15H10ClFN4O3S/c16-10-4-5-12(17)14(7-10)25(23,24)21-9-11(8-19-21)20-15(22)13-3-1-2-6-18-13/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,14,15,24,11,19,5,12,4,16,20,10,2,13,17,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCClCCCFNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;s12;d12;s14;s10d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-SDXSBFPZQBICAJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3897160,COC1C(=O)N(c2ccc(C#Cc3cccc(C)c3)cn2)CC1(C)C,SDXSBFPZQBICAJ,SDXSBFPZQBICAJ-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c1-15-6-5-7-16(12-15)8-9-17-10-11-18(22-13-17)23-14-21(2,3)19(25-4)20(23)24/h5-7,10-13,19H,14H2,1-4H3","""AuxInfo=1/0/N:18,24,25,1,15,16,14,12,11,9,8,19,20,22,17,13,10,7,3,4,23,21,6,5,2/E:(2,3)/rA:25COCCONCCCCCCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-SDZQVBINCZNKCZ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3932737,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1,SDZQVBINCZNKCZ,SDZQVBINCZNKCZ-UHFFFAOYSA-N,"InChI=1S/C19H15ClFN3O3S2/c20-13-7-6-12(14(21)9-13)10-29(26,27)18-16(11-4-5-11)23-19(28-18)24-17(25)15-3-1-2-8-22-15/h1-3,6-9,11H,4-5,10H2,(H,23,24,25)","""AuxInfo=1/1/N:26,27,25,8,9,16,17,28,20,14,7,15,18,21,24,6,2,10,4,19,22,29,5,3,1,12,13,23,11/E:(4,5)(26,27)/CRV:29.6/rA:29OCNCNCCCCCSOOCCCCCClCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;d17;s18;s18;s15d20;s21;s4s10;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-SEANYVJLSLSZBM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3933898,Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ncccn1,SEANYVJLSLSZBM,SEANYVJLSLSZBM-UHFFFAOYSA-N,"InChI=1S/C16H11ClN6O/c17-11-9-10(4-5-13(11)24-16-19-7-2-8-20-16)21-15-14-12(22-23-15)3-1-6-18-14/h1-9H,(H2,21,22,23)","""AuxInfo=1/1/N:10,22,11,15,16,9,21,23,3,4,2,12,17,7,6,19,1,8,20,24,5,13,14,18/E:(7,8)(19,20)/rA:24ClCCCNCCNCCCCNNCCCOCNCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-SECGPKGEFXVRQQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL201939;11550377,C#Cc1nc(C#Cc2cccc(F)c2)cs1,SECGPKGEFXVRQQ,SECGPKGEFXVRQQ-UHFFFAOYSA-N,"InChI=1S/C13H6FNS/c1-2-13-15-12(9-16-13)7-6-10-4-3-5-11(14)8-10/h1,3-5,8-9H","""AuxInfo=1/0/N:1,2,10,9,11,7,6,14,15,8,12,5,3,13,4,16/rA:16CCCNCCCCCCCCFCCS/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;s12;s8d12;d5;s3s15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  5.540;  5.535,5.537000000000001,0.002,0.002,2.0,5.537000000000001,0.002
-SEDWHGQHPRCHHV_on_P41594_WT,High,ChEMBL30,CHEMBL3655645,CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(C#N)c2)c1,SEDWHGQHPRCHHV,SEDWHGQHPRCHHV-UHFFFAOYSA-N,"InChI=1S/C18H14N6O/c1-24(16-10-20-12-21-11-16)15-5-6-22-17(8-15)23-18(25)14-4-2-3-13(7-14)9-19/h2-8,10-12H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,19,20,18,10,11,24,25,22,4,8,6,21,17,9,3,13,15,23,5,7,12,14,2,16/E:(10,11)(20,21)/rA:25CNCCNCNCCCCNCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;t22;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-SEFMYTDKPUKFPP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954035,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cccnc2N)c3)c(F)c1,SEFMYTDKPUKFPP,SEFMYTDKPUKFPP-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O2/c1-31-16-7-9-17(20(25)12-16)19-13-22(24(27)30)29-21-11-14(5-8-18(19)21)4-6-15-3-2-10-28-23(15)26/h2-3,5,7-13H,4,6H2,1H3,(H2,26,28)(H2,27,30)","""AuxInfo=1/1/N:1,23,22,19,17,20,4,16,5,24,28,31,8,18,21,3,6,15,7,29,14,9,26,10,30,27,11,25,13,12,2/rA:31COCCCCCCCCNONCCCCCCCCCCCNCNCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s26;s14d18;s6;s29;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-SEGANYYDWCNERD_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL185602;10318576,CCC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1,SEGANYYDWCNERD,SEGANYYDWCNERD-UHFFFAOYSA-N,"InChI=1S/C21H24N4O4/c1-3-18(26)17-10-11-19(14(2)20(17)27)29-13-5-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)","""AuxInfo=1/1/N:1,9,2,14,13,19,26,18,27,29,28,15,12,8,20,17,5,3,10,6,21,22,25,23,24,4,7,16,11/E:(6,7)(8,9)(22,23)(24,25)/rA:29CCCOCCOCCCOCCCCOCCCCCNNNNCCCC/rB:s1;s2;d3;s3;d5;s6;s6;s8;d8;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;d21;s22;s23;s21d24;s20;s17d26;s10;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  6.420;  6.420,6.42,0.0,0.0,2.0,6.42,0.0
-SEHUTCGJEJEBDP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408563;57389059,CC1(C)CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2,SEHUTCGJEJEBDP,SEHUTCGJEJEBDP-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O/c1-16(2)7-13-12(14(21)8-16)9-18-15(20-13)19-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,3,15,18,14,19,9,4,21,16,13,7,8,5,11,2,17,20,12,10,6/E:(1,2)(3,4)(5,6)/rA:21CCCCCOCCCNCNCCCCClCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s2s8;s8;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  6.610;  6.611,6.611000000000001,0.0,0.0,2.0,6.611000000000001,0.0
-SEHZMIJPUHLHJS_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3930733,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1,SEHZMIJPUHLHJS,SEHZMIJPUHLHJS-UHFFFAOYSA-N,"InChI=1S/C14H12N4O3S2/c1-10-2-4-12(5-3-10)23(20,21)18-9-11(8-16-18)17-13(19)14-15-6-7-22-14/h2-9H,1H3,(H,17,19)","""AuxInfo=1/1/N:1,3,23,4,22,17,18,20,10,2,11,5,13,15,16,21,12,9,14,7,8,19,6/E:(2,3)(4,5)(20,21)/CRV:23.6/rA:23CCCCCSOONCCNCOCNCCSCNCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s15s18;s11;s9d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-SEILVPFGLWFQSN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921842,CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1,SEILVPFGLWFQSN,SEILVPFGLWFQSN-UHFFFAOYSA-N,"InChI=1S/C19H16F2N2O2/c1-19(2)9-10-23(18(24)25-19)17-8-4-13(12-22-17)3-5-14-11-15(20)6-7-16(14)21/h4,6-8,11-12H,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,11,9,12,17,18,8,4,5,14,21,10,13,15,19,7,23,2,16,20,22,6,24,25/E:(1,2)/rA:25CCCCCNCCCCCCCCCFCCCFCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;s15;d15;s17;s13d18;s19;s10;s7d21;s6;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-SELOANINQSRULN_on_P41594_WT,High,ChEMBL30,CHEMBL592958,CC1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)C1,SELOANINQSRULN,SELOANINQSRULN-UHFFFAOYSA-N,"InChI=1S/C17H19ClN4O/c1-12-3-2-8-22(11-12)16(23)13-9-19-17(20-10-13)21-15-6-4-14(18)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,4,3,16,19,15,20,5,10,22,23,2,9,17,14,7,12,18,11,21,13,6,8/E:(4,5)(6,7)(9,10)(19,20)/rA:23CCCCCNCOCCNCNCCCCClCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s9d21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-SENYYMQSVXMKIL_on_Q14416_WT,High,ChEMBL30,CHEMBL594011,CCn1c(CN2CCN(c3nc(C(F)(F)F)ccc3Cl)CC2)nc2c1cccc2,SENYYMQSVXMKIL,SENYYMQSVXMKIL-UHFFFAOYSA-N,"InChI=1S/C20H21ClF3N5/c1-2-29-16-6-4-3-5-15(16)25-18(29)13-27-9-11-28(12-10-27)19-14(21)7-8-17(26-19)20(22,23)24/h3-8H,2,9-13H2,1H3","""AuxInfo=1/0/N:1,2,28,27,29,26,18,17,7,22,8,21,5,19,24,25,12,4,10,13,20,14,15,16,23,11,6,9,3/E:(9,10)(11,12)(22,23,24)/rA:29CCNCCNCCNCNCCFFFCCCClCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s13;s13;s13;d12;s17;s10d18;s19;s9;s6s21;d4;s23;s3d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-SEUKIVWIQMZCJE_on_P14867_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-SEUKIVWIQMZCJE_on_P18507_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.240;  6.750;  7.570;  6.510,6.768,0.49700000000000005,0.287,4.0,6.63,0.255
-SEUKIVWIQMZCJE_on_P28472_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.750;  6.510;  7.570;  6.240,6.768,0.49700000000000005,0.287,4.0,6.63,0.255
-SEUKIVWIQMZCJE_on_P31644_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-SEUKIVWIQMZCJE_on_P34903_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-SEUKIVWIQMZCJE_on_P47869_WT,Low,ChEMBL30,CHEMBL179048,Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,SEUKIVWIQMZCJE,SEUKIVWIQMZCJE-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-17-10-8-16(9-11-17)21-26-27-22-19-14-4-6-15(7-5-14)20(19)23(28-29(21)22)30-13-18-3-1-2-12-25-18/h1-3,8-12,14-15H,4-7,13H2","""AuxInfo=1/0/N:19,18,20,25,27,24,28,4,29,3,30,17,14,26,23,5,2,15,10,11,6,9,12,1,16,7,8,21,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:30FCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-SEWPIHHWIJFHPE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3895775,CC(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1,SEWPIHHWIJFHPE,SEWPIHHWIJFHPE-UHFFFAOYSA-N,"InChI=1S/C24H27FN4O/c1-15(2)23-14-29(10-9-27-23)13-16-3-8-19-20(17-4-6-18(25)7-5-17)12-22(24(26)30)28-21(19)11-16/h3-8,11-12,15,23,27H,9-10,13-14H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,3,9,14,19,15,18,10,29,28,27,20,7,5,2,8,13,16,11,12,26,21,4,22,17,23,30,25,6,24/E:(1,2)(4,5)(6,7)/rA:30CCCCCNCCCCCCCCCCFCCCCCNONCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s6;s28;s4s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-SEWXZWMBVGJJPG_on_P14867_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-SEWXZWMBVGJJPG_on_P18507_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL683045;CHEMBL682251;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.400;  6.640;  8.940;  8.680;  8.810,8.494,0.958,0.479,5.0,8.81,0.13
-SEWXZWMBVGJJPG_on_P28472_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL683045;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.940;  8.680;  6.640;  9.400;  8.810,8.494,0.958,0.479,5.0,8.81,0.13
-SEWXZWMBVGJJPG_on_P31644_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.810,8.81,0.0,0.0,1.0,8.81,0.0
-SEWXZWMBVGJJPG_on_P34903_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.940,8.94,0.0,0.0,1.0,8.94,0.0
-SEWXZWMBVGJJPG_on_P47869_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-SEWXZWMBVGJJPG_on_Q16445_WT,Low,ChEMBL30,CHEMBL307202,CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1,SEWXZWMBVGJJPG,SEWXZWMBVGJJPG-UHFFFAOYSA-N,"InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3","""AuxInfo=1/0/N:1,3,11,17,18,16,9,22,2,19,15,8,14,7,6,4,12,20,23,5,24,10,21,13,25/E:(1,2)/rA:25CCCCNCCCCNCCOCCCCCCClNCNNO/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s14d18;s19;s8s15;s21;s7d22;d6;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-SEYPTDWWMFLLKF_on_Q05586_WT,Medium,ChEMBL30,CHEMBL162435,CCN1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O,SEYPTDWWMFLLKF,SEYPTDWWMFLLKF-UHFFFAOYSA-N,"InChI=1S/C15H13Cl2N3O4/c1-2-20-11(21)6-19(15(20)24)5-8-12-9(17)3-7(16)4-10(12)18-13(8)14(22)23/h3-4,18H,2,5-6H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,2,19,16,8,6,17,9,20,15,4,22,10,11,23,18,21,14,7,3,5,12,13,24/E:(22,23)/rA:24CCNCOCNCCCCOONCCCClCCClCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;s11;s10;s14;d15;s16;s17;d17;s19;s20;s9s15d20;s3s7;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SFBLMCASPNSIRO_on_Q05586_WT,Low,ChEMBL30,CHEMBL4217661,O=C(Cn1cc(F)c2ncc(-c3cccc(Cl)c3)cc21)N1CC(F)C1,SFBLMCASPNSIRO,SFBLMCASPNSIRO-UHFFFAOYSA-N,"InChI=1S/C18H14ClF2N3O/c19-13-3-1-2-11(4-13)12-5-16-18(22-6-12)15(21)9-23(16)10-17(25)24-7-14(20)8-24/h1-6,9,14H,7-8,10H2","""AuxInfo=1/0/N:14,13,15,18,19,10,22,25,5,3,12,11,16,23,6,20,2,8,17,24,7,9,4,21,1/E:(7,8)/rA:25OCCNCCFCNCCCCCCCClCCCNCCFC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s16;s12d16;s11;s4s8d19;s2;s21;s22;s23;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-SFBLMCASPNSIRO_on_Q13224_WT,Low,ChEMBL30,CHEMBL4217661,O=C(Cn1cc(F)c2ncc(-c3cccc(Cl)c3)cc21)N1CC(F)C1,SFBLMCASPNSIRO,SFBLMCASPNSIRO-UHFFFAOYSA-N,"InChI=1S/C18H14ClF2N3O/c19-13-3-1-2-11(4-13)12-5-16-18(22-6-12)15(21)9-23(16)10-17(25)24-7-14(20)8-24/h1-6,9,14H,7-8,10H2","""AuxInfo=1/0/N:14,13,15,18,19,10,22,25,5,3,12,11,16,23,6,20,2,8,17,24,7,9,4,21,1/E:(7,8)/rA:25OCCNCCFCNCCCCCCCClCCCNCCFC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s16;s12d16;s11;s4s8d19;s2;s21;s22;s23;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-SFCDAKWBZXPGLA_on_Q14833_WT,High,ChEMBL30,CHEMBL568252,CCCNC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,SFCDAKWBZXPGLA,SFCDAKWBZXPGLA-UHFFFAOYSA-N,"InChI=1S/C17H22Cl2N2O2/c1-2-7-20-16(22)14-5-3-4-6-15(14)17(23)21-13-9-11(18)8-12(19)10-13/h8-10,14-15H,2-7H2,1H3,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:1,2,9,10,8,11,3,20,17,23,18,21,16,7,12,5,13,19,22,4,15,6,14/E:(9,10)(11,12)(18,19)/rA:23CCCNCOCCCCCCCONCCCClCCClC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s13;s15;d16;s17;s18;d18;s20;s21;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-SFCUSEWZEGWALW_on_Q05586_WT,Low,ChEMBL30,CHEMBL161332,N=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1,SFCUSEWZEGWALW,SFCUSEWZEGWALW-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,11,4,7,10,3,13,5,14,8,2,9,1,12/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCClCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SFCUSEWZEGWALW_on_Q13224_WT,Low,ChEMBL30,CHEMBL161332,N=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1,SFCUSEWZEGWALW,SFCUSEWZEGWALW-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,11,4,7,10,3,13,5,14,8,2,9,1,12/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCClCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SFEBOGPWHLPAMA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3978788,CN1C(=O)C(c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C,SFEBOGPWHLPAMA,SFEBOGPWHLPAMA-UHFFFAOYSA-N,"InChI=1S/C20H19ClN2O/c1-20(2)12-17(19(24)23(20)3)18-10-9-15(13-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-11,13,17H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,21,19,12,9,16,5,6,3,22,17,20,2,4/E:(1,2)/rA:24CNCOCCCCCCCCCCCCClCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-SFFXXTXYSRSGGB_on_P18507_WT,Low,ChEMBL30,CHEMBL192900,CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,SFFXXTXYSRSGGB,SFFXXTXYSRSGGB-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-SFFXXTXYSRSGGB_on_P47869_WT,Low,ChEMBL30,CHEMBL192900,CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,SFFXXTXYSRSGGB,SFFXXTXYSRSGGB-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-SFFXXTXYSRSGGB_on_P47870_WT,Low,ChEMBL30,CHEMBL192900,CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,SFFXXTXYSRSGGB,SFFXXTXYSRSGGB-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)16-11-22(15-9-7-14(20)8-10-15)17(21-16)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,18,23,19,22,11,14,10,15,7,17,20,12,9,6,16,4,21,13,24,8,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCOCOCCNCCCCClCCCCCCCClCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s16;d17;s18;d19;s20;s20;s17d22;s6d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-SFMBSTDZGRMBDU_on_P14867_WT,Medium,ChEMBL30,CHEMBL146356,COc1cccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)c1,SFMBSTDZGRMBDU,SFMBSTDZGRMBDU-UHFFFAOYSA-N,"InChI=1S/C23H22N4O2/c1-29-18-9-5-8-17(12-18)21-15-27-22(24-21)19-14-26(11-10-20(19)25-23(27)28)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,22,21,23,5,20,24,6,4,26,25,29,18,16,9,19,7,3,15,14,8,27,11,28,13,17,10,12,2/E:(3,4)(6,7)/rA:29COCCCCCCCNCONCCCNCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;d11;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;s10s15;s8d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-SFMBSTDZGRMBDU_on_P47869_WT,Medium,ChEMBL30,CHEMBL146356,COc1cccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)c1,SFMBSTDZGRMBDU,SFMBSTDZGRMBDU-UHFFFAOYSA-N,"InChI=1S/C23H22N4O2/c1-29-18-9-5-8-17(12-18)21-15-27-22(24-21)19-14-26(11-10-20(19)25-23(27)28)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,22,21,23,5,20,24,6,4,26,25,29,18,16,9,19,7,3,15,14,8,27,11,28,13,17,10,12,2/E:(3,4)(6,7)/rA:29COCCCCCCCNCONCCCNCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;d11;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;s10s15;s8d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-SFOGUIVHNCTJNB_on_Q13255_WT,High,ChEMBL30,CHEMBL177043,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1I,SFOGUIVHNCTJNB,SFOGUIVHNCTJNB-UHFFFAOYSA-N,"InChI=1S/C19H22INO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3","""AuxInfo=1/0/N:1,17,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,22,23,21,11,16/E:(4,5)(7,8)/rA:23CCCCCCCCCCOCCCCOCCCCNCI/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-SFPHLFHZUAYDLI_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71561198;CHEMBL2338563;CHEMBL2338563,N#Cc1c(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)nccc1,SFPHLFHZUAYDLI,SFPHLFHZUAYDLI-UHFFFAOYSA-N,"InChI=1S/C20H19ClN4O2/c21-15-6-1-4-13(10-15)19(26)24-16-7-2-8-17(11-16)25-20(27)18-14(12-22)5-3-9-23-18/h1,3-6,9-10,16-17H,2,7-8,11H2,(H,24,26)(H,25,27)","""AuxInfo=1/1/N:21,10,26,22,27,20,11,9,25,17,23,2,16,3,18,12,8,4,14,5,19,1,24,13,7,15,6/rA:27NCCCCONCCCCCNCOCCCClCCCCNCCC/rB:t1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;s18;d18;s20;s16d21;s8s12;s4;d24;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:729738;CHEMBL2343304;CHEMBL2343303,PMID:23357634,2013.0,PubChemAID:729738;PMID:23357634;PMID:23357634,2013,0;1;0,0,0,0;0;1,1;0;0,,=,  6.173;  6.170;  5.900,6.081,0.128,0.091,3.0,6.17,0.003
-SFQDQVWLPSONMD_on_P14867_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-SFQDQVWLPSONMD_on_P18507_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682711;CHEMBL677036;CHEMBL680672;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.240;  7.040;  8.590;  7.440,7.577999999999999,0.601,0.34700000000000003,4.0,7.34,0.2
-SFQDQVWLPSONMD_on_P28472_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680434;CHEMBL682711;CHEMBL677036;CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.440;  7.240;  7.040;  8.590,7.577999999999999,0.601,0.34700000000000003,4.0,7.34,0.2
-SFQDQVWLPSONMD_on_P31644_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-SFQDQVWLPSONMD_on_P34903_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-SFQDQVWLPSONMD_on_P47869_WT,Low,ChEMBL30,CHEMBL95760,CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1,SFQDQVWLPSONMD,SFQDQVWLPSONMD-UHFFFAOYSA-N,"InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,15,16,12,13,8,3,21,19,2,20,9,7,4,17,6,10,11,22,24,23,5,14,18/rA:24CCCCOCCCCCNCCSCCCSCCCNNN/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;s9;d10;s11;d12;s10s13;d9;s15;s6d16;s17;s18;s19;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-SFQKRQZNZFEVLS_on_P41594_WT,High,ChEMBL30,CHEMBL3980257,N#Cc1c(C2CC2)c2c(-c3cc(Cl)c(F)cc3)[nH]nc2nc1-c1ccccc1,SFQKRQZNZFEVLS,SFQKRQZNZFEVLS-UHFFFAOYSA-N,"InChI=1S/C22H14ClFN4/c23-16-10-14(8-9-17(16)24)21-19-18(12-6-7-12)15(11-25)20(26-22(19)28-27-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,26,27,28)","""AuxInfo=1/1/N:26,25,27,24,28,6,7,17,16,11,2,5,23,10,3,12,14,4,8,22,9,20,13,15,1,21,18,19/E:(2,3)(4,5)(6,7)/rA:28NCCCCCCCCCCCClCFCCNNCNCCCCCCC/rB:t1;s2;d3;s4;s5;s5s6;s4;d8;s9;d10;s11;s12;d12;s14;s14;s10d16;s9;s18;s8d19;s20;s3d21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-SFUKVLFFWBOXAK_on_Q14833_WT,High,ExCAPE-DB,56587874,CC(C)N(C(=O)c1ccccn1)c1cc(Cl)ccc1,SFUKVLFFWBOXAK,SFUKVLFFWBOXAK-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O/c1-11(2)18(13-7-5-6-12(16)10-13)15(19)14-8-3-4-9-17-14/h3-11H,1-2H3","""AuxInfo=1/0/N:1,3,9,10,18,17,19,8,11,14,2,15,13,7,5,16,12,4,6/E:(1,2)/rA:19CCCNCOCCCCCNCCCClCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s7d11;s4;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SGAMWPHZFACGBU_on_P41594_WT,High,ChEMBL30,CHEMBL227200,Cc1cccc(C#Cc2nncc(C)n2)c1,SGAMWPHZFACGBU,SGAMWPHZFACGBU-UHFFFAOYSA-N,"InChI=1S/C13H11N3/c1-10-4-3-5-12(8-10)6-7-13-15-11(2)9-14-16-13/h3-5,8-9H,1-2H3","""AuxInfo=1/0/N:1,14,4,3,5,7,8,16,12,2,13,6,9,11,15,10/rA:16CCCCCCCCCNNCCCNC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s13;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-SGCNJDYPITVHEN_on_Q14416_WT,High,ChEMBL30,CHEMBL3979475,NC1(C(=O)O)C(OCc2c(Cl)ccc(Cl)c2)C(O)C2C(C(=O)O)C21,SGCNJDYPITVHEN,SGCNJDYPITVHEN-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-1-2-7(17)5(3-6)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,16,8,9,14,10,19,20,24,17,6,21,3,2,15,11,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCClCCCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s10;d12;s13;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-SGCNJDYPITVHEN_on_Q14832_WT,High,ChEMBL30,CHEMBL3979475,NC1(C(=O)O)C(OCc2c(Cl)ccc(Cl)c2)C(O)C2C(C(=O)O)C21,SGCNJDYPITVHEN,SGCNJDYPITVHEN-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-1-2-7(17)5(3-6)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,12,16,8,9,14,10,19,20,24,17,6,21,3,2,15,11,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCClCCCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s10;d12;s13;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-SGEGZJBPVJESCW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3968220,O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)c(F)c2C1,SGEGZJBPVJESCW,SGEGZJBPVJESCW-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-8-6-14(7-9-15)20(26)24-10-11-25-18(12-24)19(22)17(23-25)13-27-16-4-2-1-3-5-16/h1-9H,10-13H2","""AuxInfo=1/0/N:21,20,22,19,23,4,9,5,8,11,12,27,16,3,6,18,15,26,24,2,7,25,14,10,13,1,17/E:(2,3)(4,5)(6,7)(8,9)/rA:27OCCCCCFCCNCCNNCCOCCCCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s24;s13d24;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-SGFQVPARKZCZOT_on_P14867_WT,Low,ChEMBL30,CHEMBL2315213,NCc1cn(O)nc1,SGFQVPARKZCZOT,SGFQVPARKZCZOT-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2","""AuxInfo=1/0/N:2,8,4,3,1,7,5,6/rA:8NCCCNONC/rB:s1;s2;d3;s4;s5;s5;s3d7;/rC:;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989;CHEMBL2317993;CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.890;  4.720;  4.890,4.833,0.08,0.057,3.0,4.89,0.0
-SGFQVPARKZCZOT_on_P18507_WT,Low,ChEMBL30,CHEMBL2315213,NCc1cn(O)nc1,SGFQVPARKZCZOT,SGFQVPARKZCZOT-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2","""AuxInfo=1/0/N:2,8,4,3,1,7,5,6/rA:8NCCCNONC/rB:s1;s2;d3;s4;s5;s5;s3d7;/rC:;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2318267;CHEMBL2317989;CHEMBL2318266;CHEMBL2318267;CHEMBL2318266;CHEMBL2317993;CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  5.250;  4.890;  5.350;  5.250;  5.350;  4.720;  4.890,5.1,0.24,0.098,7.0,5.25,0.1
-SGFQVPARKZCZOT_on_P34903_WT,Low,ChEMBL30,CHEMBL2315213,NCc1cn(O)nc1,SGFQVPARKZCZOT,SGFQVPARKZCZOT-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2","""AuxInfo=1/0/N:2,8,4,3,1,7,5,6/rA:8NCCCNONC/rB:s1;s2;d3;s4;s5;s5;s3d7;/rC:;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2318267,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  5.250;  5.250,5.25,0.0,0.0,2.0,5.25,0.0
-SGFQVPARKZCZOT_on_P47869_WT,Low,ChEMBL30,CHEMBL2315213,NCc1cn(O)nc1,SGFQVPARKZCZOT,SGFQVPARKZCZOT-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2","""AuxInfo=1/0/N:2,8,4,3,1,7,5,6/rA:8NCCCNONC/rB:s1;s2;d3;s4;s5;s5;s3d7;/rC:;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2318266,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  5.350;  5.350,5.35,0.0,0.0,2.0,5.35,0.0
-SGFQVPARKZCZOT_on_P47870_WT,Low,ChEMBL30,CHEMBL2315213,NCc1cn(O)nc1,SGFQVPARKZCZOT,SGFQVPARKZCZOT-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2","""AuxInfo=1/0/N:2,8,4,3,1,7,5,6/rA:8NCCCNONC/rB:s1;s2;d3;s4;s5;s5;s3d7;/rC:;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989;CHEMBL2318266;CHEMBL2318266;CHEMBL2317989;CHEMBL2317993;CHEMBL2318267;CHEMBL2318267,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.890;  5.350;  5.350;  4.890;  4.720;  5.250;  5.250,5.1,0.24,0.098,7.0,5.25,0.1
-SGFWEBFPYCWAOB_on_Q13255_WT,High,ChEMBL30,CHEMBL3422897,COc1cc(CNc2c(C#N)c3c(CN(C(=O)c4ccc(F)cc4)CC3)s2)ccc1,SGFWEBFPYCWAOB,SGFWEBFPYCWAOB-UHFFFAOYSA-N,"InChI=1S/C23H20FN3O2S/c1-29-18-4-2-3-15(11-18)13-26-22-20(12-25)19-9-10-27(14-21(19)30-22)23(28)16-5-7-17(24)8-6-16/h2-8,11,26H,9-10,13-14H2,1H3","""AuxInfo=1/0/N:1,29,28,30,19,24,20,23,26,25,4,10,6,14,5,18,21,3,12,9,13,8,16,22,11,7,15,17,2,27/E:(5,6)(7,8)/rA:30COCCCCNCCCNCCCNCOCCCCFCCCCSCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;t10;s9;d12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s21;s18d23;s15;s12s25;s8s13;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-SGGNQTJRZANWCP_on_P41594_WT,High,ChEMBL30,CHEMBL2346735,Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1,SGGNQTJRZANWCP,SGGNQTJRZANWCP-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN4O/c1-10-16(17(24)22-13-7-8-20-15(18)9-13)21-11(2)23(10)14-5-3-12(19)4-6-14/h3-9H,1-2H3,(H,20,22,24)","""AuxInfo=1/1/N:16,1,20,23,19,24,9,10,14,15,2,21,8,18,12,4,5,13,22,11,3,7,17,6/E:(3,4)(5,6)/rA:24CCNCCONCCCNCClCCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;s8d12;d4;s15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-SGIKDIUCJAUSRD_on_Q13255_WT,High,ChEMBL30,CHEMBL94631,Cc1c(C(N)C(=O)O)ccc(C(=O)O)c1,SGIKDIUCJAUSRD,SGIKDIUCJAUSRD-UHFFFAOYSA-N,"InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,10,9,15,2,11,3,4,12,6,5,13,14,7,8/E:(12,13)(14,15)/rA:15CCCCNCOOCCCCOOC/rB:s1;d2;s3;s4;s4;d6;s6;s3;d9;s10;s11;d12;s12;s2d11;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3590964,DOI:10.1016/S0960-894X(97)10071-3,1997.0,PMID:25638496,2015,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-SGLNKRGDFVBCET_on_P18505_WT,Low,ChEMBL30,CHEMBL4238634,CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1,SGLNKRGDFVBCET,SGLNKRGDFVBCET-UHFFFAOYSA-N,"InChI=1S/C24H23F2NO3/c1-23(2,3)30-22(29)27-20(17-10-5-4-6-11-17)24(25,26)21(28)19-14-13-16-9-7-8-12-18(16)15-19/h4-15,20H,1-3H3,(H,27,29)","""AuxInfo=1/1/N:1,3,4,13,12,14,26,27,25,11,15,28,23,22,30,24,10,29,21,9,19,6,2,16,17,18,8,20,7,5/E:(1,2,3)(5,6)(10,11)(25,26)/rA:30CCCCOCONCCCCCCCCFFCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s16;s16;d19;s19;d21;s22;d23;s24;d25;s26;d27;s24s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-SGLNKRGDFVBCET_on_P47870_WT,Low,ChEMBL30,CHEMBL4238634,CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1,SGLNKRGDFVBCET,SGLNKRGDFVBCET-UHFFFAOYSA-N,"InChI=1S/C24H23F2NO3/c1-23(2,3)30-22(29)27-20(17-10-5-4-6-11-17)24(25,26)21(28)19-14-13-16-9-7-8-12-18(16)15-19/h4-15,20H,1-3H3,(H,27,29)","""AuxInfo=1/1/N:1,3,4,13,12,14,26,27,25,11,15,28,23,22,30,24,10,29,21,9,19,6,2,16,17,18,8,20,7,5/E:(1,2,3)(5,6)(10,11)(25,26)/rA:30CCCCOCONCCCCCCCCFFCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s16;s16;d19;s19;d21;s22;d23;s24;d25;s26;d27;s24s28;s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.710,4.71,0.0,0.0,1.0,4.71,0.0
-SGQQJEBYGVTMRA_on_P18507_WT,Low,ChEMBL30,CHEMBL212273,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F,SGQQJEBYGVTMRA,SGQQJEBYGVTMRA-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-8-12(22)6-7-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,17,18,14,23,7,4,15,26,13,31,19,24,6,25,12,9,16,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCFCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-SGQQJEBYGVTMRA_on_P28472_WT,Low,ChEMBL30,CHEMBL212273,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F,SGQQJEBYGVTMRA,SGQQJEBYGVTMRA-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-8-12(22)6-7-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,17,18,14,23,7,4,15,26,13,31,19,24,6,25,12,9,16,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCFCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-SGQQJEBYGVTMRA_on_P34903_WT,Low,ChEMBL30,CHEMBL212273,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F,SGQQJEBYGVTMRA,SGQQJEBYGVTMRA-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-8-12(22)6-7-16(14)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,30,17,18,14,23,7,4,15,26,13,31,19,24,6,25,12,9,16,32,20,5,22,3,21,10,2,11,8/rA:32CNNCNCCOCNNCCCCFCCCFNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s13d18;s19;d12;s21;d22;s11s23;s9d24;s25;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-SGRJLTOOQLQDRH_on_Q14832_WT,Medium,ChEMBL30,CHEMBL134749;CHEMBL351166;CHEMBL134749;CHEMBL134749,O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O,SGRJLTOOQLQDRH,SGRJLTOOQLQDRH-UHFFFAOYSA-N,"InChI=1S/C12H19O10P/c13-9(14)3-1-7(11(17)18)5-23(21,22)6-8(12(19)20)2-4-10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:5,13,4,14,7,11,6,12,2,15,21,18,1,3,16,17,22,23,19,20,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22)/gE:(1,2)(3,4)/rA:23OCOCCCCPOOCCCCCOOCOOCOO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s8;s11;s12;s13;s14;d15;s15;s12;d18;s18;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL714800,PMID:10715144,2000.0,PMID:10715144,2000,0,1,0,0,0,,=,  4.350;  4.480;  4.410;  4.290,4.383,0.07,0.040999999999999995,4.0,4.38,0.06
-SGRKNZRNXRITCT_on_P41594_WT,High,ChEMBL30,CHEMBL2151493,Cc1cc(-c2noc(C3CN(C(=O)C4CCC(F)(F)CC4)C3)n2)ccc1,SGRKNZRNXRITCT,SGRKNZRNXRITCT-UHFFFAOYSA-N,"InChI=1S/C19H21F2N3O2/c1-12-3-2-4-14(9-12)16-22-17(26-23-16)15-10-24(11-15)18(25)13-5-7-19(20,21)8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,25,26,24,15,21,16,20,3,10,22,2,14,4,9,5,8,12,17,18,19,23,6,11,13,7/E:(5,6)(7,8)(10,11)(20,21)/rA:26CCCCCNOCCCNCOCCCCFFCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s17;s17;s14s20;s9s11;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-SGVYZSLDFHARFK_on_P14867_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-SGVYZSLDFHARFK_on_P18507_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.320;  7.110;  8.020;  6.700,7.037000000000001,0.632,0.365,4.0,6.905,0.395
-SGVYZSLDFHARFK_on_P28472_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.320;  6.700;  7.110;  8.020,7.037000000000001,0.632,0.365,4.0,6.905,0.395
-SGVYZSLDFHARFK_on_P31644_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-SGVYZSLDFHARFK_on_P34903_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-SGVYZSLDFHARFK_on_P47869_WT,Low,ChEMBL30,CHEMBL178188,c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1,SGVYZSLDFHARFK,SGVYZSLDFHARFK-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,19,20,18,3,32,21,28,30,27,31,22,23,13,17,29,26,4,14,16,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s17;s14d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-SGYGRQNNQWTBRU_on_P14867_WT,Low,ChEMBL30,CHEMBL4063081,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(CC)no3)ncn-21,SGYGRQNNQWTBRU,SGYGRQNNQWTBRU-UHFFFAOYSA-N,"InChI=1S/C22H16N6O/c1-3-14-8-9-17-15(11-14)20(16-7-5-6-10-23-16)24-12-18-21(25-13-28(17)18)22-26-19(4-2)27-29-22/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,28,3,7,10,6,18,22,9,19,20,15,16,27,21,25,29,26/rA:29CCCCCCCCCCCCCCNNCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;s23;d22;s20s25;s19;d27;s6s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4042554,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-SGYGRQNNQWTBRU_on_P18507_WT,Low,ChEMBL30,CHEMBL4063081,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(CC)no3)ncn-21,SGYGRQNNQWTBRU,SGYGRQNNQWTBRU-UHFFFAOYSA-N,"InChI=1S/C22H16N6O/c1-3-14-8-9-17-15(11-14)20(16-7-5-6-10-23-16)24-12-18-21(25-13-28(17)18)22-26-19(4-2)27-29-22/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,28,3,7,10,6,18,22,9,19,20,15,16,27,21,25,29,26/rA:29CCCCCCCCCCCCCCNNCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;s23;d22;s20s25;s19;d27;s6s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-SGYGRQNNQWTBRU_on_P28472_WT,Low,ChEMBL30,CHEMBL4063081,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(CC)no3)ncn-21,SGYGRQNNQWTBRU,SGYGRQNNQWTBRU-UHFFFAOYSA-N,"InChI=1S/C22H16N6O/c1-3-14-8-9-17-15(11-14)20(16-7-5-6-10-23-16)24-12-18-21(25-13-28(17)18)22-26-19(4-2)27-29-22/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,28,3,7,10,6,18,22,9,19,20,15,16,27,21,25,29,26/rA:29CCCCCCCCCCCCCCNNCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;s23;d22;s20s25;s19;d27;s6s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-SGYGRQNNQWTBRU_on_P34903_WT,Low,ChEMBL30,CHEMBL4063081,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(CC)no3)ncn-21,SGYGRQNNQWTBRU,SGYGRQNNQWTBRU-UHFFFAOYSA-N,"InChI=1S/C22H16N6O/c1-3-14-8-9-17-15(11-14)20(16-7-5-6-10-23-16)24-12-18-21(25-13-28(17)18)22-26-19(4-2)27-29-22/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,28,3,7,10,6,18,22,9,19,20,15,16,27,21,25,29,26/rA:29CCCCCCCCCCCCCCNNCCCCNCCCNONCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s21;s22;s23;d22;s20s25;s19;d27;s6s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4042549,PMID:27933953,2016.0,PMID:27933953,2016,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-SGZWAYKETLHZDB_on_P41594_WT,Medium,ChEMBL30,CHEMBL493776,Cc1nc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1,SGZWAYKETLHZDB,SGZWAYKETLHZDB-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c1-14-6-5-9-18(20-14)21-19(22)15-10-12-17(13-11-15)23-16-7-3-2-4-8-16/h2-13H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,16,15,17,22,23,14,18,21,9,20,10,19,2,8,13,11,4,6,3,5,7,12/E:(3,4)(7,8)(10,11)(12,13)/rA:23CCNCNCOCCCCOCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s11;s8d19;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-SHBDYYCOXQPNIW_on_P41594_WT,High,ChEMBL30,CHEMBL270399,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cscc3)c2)n1,SHBDYYCOXQPNIW,SHBDYYCOXQPNIW-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2S/c1-14-11-26-12-18(21(22,23)24)10-20(26)19(25-14)6-5-15-3-2-4-16(9-15)17-7-8-27-13-17/h2-4,7-13H,1H3","""AuxInfo=1/0/N:1,18,17,19,15,14,25,24,26,11,3,5,22,2,16,20,21,6,13,12,7,8,9,10,27,4,23/E:(22,23,24)/rA:27CCCNCCCFFFCCCCCCCCCCCCSCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s23;s21d24;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-SHBRNDUJRSMILW_on_P41594_WT,Medium,ChEMBL30,CHEMBL4110817;CHEMBL3915888,Cc1nccc(C(=O)NC23CCCC(C#Cc4ccccn4)(CC2)C3)n1,SHBRNDUJRSMILW,SHBRNDUJRSMILW-UHFFFAOYSA-N,"InChI=1S/C21H22N4O/c1-16-22-14-7-18(24-16)19(26)25-21-9-4-8-20(15-21,11-12-21)10-6-17-5-2-3-13-23-17/h2-3,5,7,13-14H,4,8-9,11-12,15H2,1H3,(H,25,26)","""AuxInfo=1/1/N:1,19,20,12,18,16,5,13,11,15,23,24,21,4,25,2,17,6,7,14,10,3,22,26,9,8/rA:26CCNCCCCONCCCCCCCCCCCCNCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s10s23;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  7.770;  8.000,7.885,0.115,0.115,2.0,7.885,0.115
-SHBZCBBTFHWIIY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114982;CHEMBL3896344,CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1,SHBZCBBTFHWIIY,SHBZCBBTFHWIIY-UHFFFAOYSA-N,"InChI=1S/C20H23N5O2/c1-13-10-25(5-6-27-13)11-14-3-4-16-17(15-9-22-24(2)12-15)8-19(20(21)26)23-18(16)7-14/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,21,26)","""AuxInfo=1/1/N:1,14,7,8,25,26,24,17,16,3,5,12,2,6,11,9,10,23,18,19,20,15,22,13,4,21,27/rA:27CCCNCCCCCCCCNCNCCCCNONCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s13;s11d15;d10;s17;s18;s19;d19;d18;s9s22;s6d23;s4;s25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.780;  6.600,6.69,0.09,0.09,2.0,6.69,0.09
-SHCDJPPVFXPBFQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3940264;CHEMBL3892865,Fc1ccc(C2CCC(NCc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)c(F)c1,SHCDJPPVFXPBFQ,SHCDJPPVFXPBFQ-UHFFFAOYSA-N,"InChI=1S/C24H25F5N4/c25-17-5-8-19(20(26)12-17)15-3-6-18(7-4-15)30-13-16-9-10-33-21(11-14-1-2-14)31-32-23(33)22(16)24(27,28)29/h5,8-10,12,14-15,18,30H,1-4,6-7,11,13H2","""AuxInfo=1/0/N:24,25,7,30,3,8,29,4,28,27,22,33,11,23,6,12,2,9,5,31,21,13,18,14,1,32,15,16,17,10,20,19,26/E:(1,2)(3,4)(6,7)(27,28,29)/rA:33FCCCCCCCCNCCCCFFFCNNCCCCCNCCCCCFC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s14;s14;s13;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s12d27;s9;s6s29;s5;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.080;  7.420,7.25,0.17,0.17,2.0,7.25,0.17
-SHCJTBXDCMEPIX_on_P41594_WT,Low,ChEMBL30,CHEMBL1783872,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,SHCJTBXDCMEPIX,SHCJTBXDCMEPIX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3S/c1-12(2)10-23-14-5-6-22-20-17(14)18-19(29-20)21(26)25(11-24-18)13-3-4-15-16(9-13)28-8-7-27-15/h3-6,9,11H,1,7-8,10H2,2H3,(H,22,23)","""AuxInfo=1/1/N:1,3,19,20,11,10,23,24,27,4,16,2,18,6,21,26,7,14,13,8,28,9,5,15,17,29,22,25,12/rA:29CCCCNCCCNCCSCCNCNCCCCOCCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s24;s21s25;s18d26;s13s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-SHCJTBXDCMEPIX_on_Q13255_WT,High,ChEMBL30,CHEMBL1783872,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,SHCJTBXDCMEPIX,SHCJTBXDCMEPIX-UHFFFAOYSA-N,"InChI=1S/C21H18N4O3S/c1-12(2)10-23-14-5-6-22-20-17(14)18-19(29-20)21(26)25(11-24-18)13-3-4-15-16(9-13)28-8-7-27-15/h3-6,9,11H,1,7-8,10H2,2H3,(H,22,23)","""AuxInfo=1/1/N:1,3,19,20,11,10,23,24,27,4,16,2,18,6,21,26,7,14,13,8,28,9,5,15,17,29,22,25,12/rA:29CCCCNCCCNCCSCCNCNCCCCOCCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s24;s21s25;s18d26;s13s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-SHDDCJBORQFLIZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,685051;CHEMBL2408581,Fc1ccc(Nc2nc3c(CCCC3)s2)cc1,SHDDCJBORQFLIZ,SHDDCJBORQFLIZ-UHFFFAOYSA-N,"InChI=1S/C13H13FN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h5-8H,1-4H2,(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,3,17,4,16,2,5,9,10,7,1,6,8,15/E:(5,6)(7,8)/rA:17FCCCCNCNCCCCCCSCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s7s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  5.590;  5.590,5.59,0.0,0.0,2.0,5.59,0.0
-SHDDCJBORQFLIZ_on_Q13255_WT,High,ChEMBL30,CHEMBL2408581,Fc1ccc(Nc2nc3c(CCCC3)s2)cc1,SHDDCJBORQFLIZ,SHDDCJBORQFLIZ-UHFFFAOYSA-N,"InChI=1S/C13H13FN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h5-8H,1-4H2,(H,15,16)","""AuxInfo=1/1/N:13,12,14,11,3,17,4,16,2,5,9,10,7,1,6,8,15/E:(5,6)(7,8)/rA:17FCCCCNCNCCCCCCSCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s7s10;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2410484,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  4.190,4.19,0.0,0.0,1.0,4.19,0.0
-SHFFOVLMRJGETL_on_P41594_WT,High,ChEMBL30,CHEMBL2349545,Cc1nc(NC(=O)c2nn(C)c(-c3ccncc3)c2C)ccc1,SHFFOVLMRJGETL,SHFFOVLMRJGETL-UHFFFAOYSA-N,"InChI=1S/C17H17N5O/c1-11-5-4-6-14(19-11)20-17(23)15-12(2)16(22(3)21-15)13-7-9-18-10-8-13/h4-10H,1-3H3,(H,19,20,23)","""AuxInfo=1/1/N:1,20,11,22,23,21,14,18,15,17,2,19,13,4,8,12,6,16,3,5,9,10,7/E:(7,8)(9,10)/rA:23CCNCNCOCNNCCCCCNCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s13d17;s8d12;s19;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-SHHPYNVQBLHDPA_on_P14867_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-SHHPYNVQBLHDPA_on_P18507_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960;  7.180;  7.800;  6.850,7.197,0.368,0.212,4.0,7.07,0.165
-SHHPYNVQBLHDPA_on_P28472_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL830420;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.800;  6.850;  7.180;  6.960,7.197,0.368,0.212,4.0,7.07,0.165
-SHHPYNVQBLHDPA_on_P31644_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SHHPYNVQBLHDPA_on_P34903_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-SHHPYNVQBLHDPA_on_P47869_WT,Low,ChEMBL30,CHEMBL179513,Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1,SHHPYNVQBLHDPA,SHHPYNVQBLHDPA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-12-22-16(26-29-12)11-28-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(27(20)25-21)15-5-3-2-4-6-15/h2-6,13-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,24,26,23,27,5,2,25,22,11,4,20,21,10,19,7,3,17,18,8,28,9,6,29/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCNCCOCNNCCCCCCCNNCCCCCCCCCNO/rB:s1;d2;s3;s4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;d4;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-SHLDVKDWAHEGPN_on_P41594_WT,Low,ChEMBL30,CHEMBL257033,Cc1cn2cc(C)nc(C#Cc3ccc(Cl)cc3)c2c1,SHLDVKDWAHEGPN,SHLDVKDWAHEGPN-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2/c1-12-9-17-16(19-13(2)11-20(17)10-12)8-5-14-3-6-15(18)7-4-14/h3-4,6-7,9-11H,1-2H3","""AuxInfo=1/0/N:1,7,13,18,11,14,17,10,20,3,5,2,6,12,15,9,19,16,8,4/E:(3,4)(6,7)/rA:20CCCNCCCNCCCCCCCClCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s4s9;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-SHRBHTPWEAXAMR_on_Q13255_WT,High,ChEMBL30,CHEMBL3759289,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)nco1,SHRBHTPWEAXAMR,SHRBHTPWEAXAMR-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(21)7-11)24-18(26)12-4-2-10(20)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,18,24,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCClCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.270;  7.260,7.265,0.005,0.005,2.0,7.265,0.005
-SHRBHTPWEAXAMR_on_Q14833_WT,High,ChEMBL30,CHEMBL3759289,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)nco1,SHRBHTPWEAXAMR,SHRBHTPWEAXAMR-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(21)7-11)24-18(26)12-4-2-10(20)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,18,24,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCClCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SHRIOHIVCFTIJL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44416002;CHEMBL215748,Cc1nc(C#CCNC(=O)c2cc(Cl)ccc2)ccc1,SHRIOHIVCFTIJL,SHRIOHIVCFTIJL-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-12-5-2-8-15(19-12)9-4-10-18-16(20)13-6-3-7-14(17)11-13/h2-3,5-8,11H,10H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,19,16,6,20,17,15,18,5,7,12,2,11,13,4,9,14,8,3,10/rA:20CCNCCCCNCOCCCClCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s9;d11;s12;s13;d13;s15;s11d16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270780;CHEMBL856303,PMID:16837196,2006.0,PubChemAID:270780;PMID:16837196,2010;2006,0;1,0,0,0,1;0,,=,  5.583;  5.580,5.582000000000001,0.002,0.002,2.0,5.582000000000001,0.002
-SHVYQGGWFJHSCU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013206,Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1ccco1,SHVYQGGWFJHSCU,SHVYQGGWFJHSCU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-5-1-4-12(17(14)21)19-23-15-6-7-16(25)13(18(15)24-19)10-22-9-11-3-2-8-26-11/h1-8,22,25H,9-10H2,(H,23,24)","""AuxInfo=1/1/N:14,24,23,15,13,4,3,25,21,19,22,8,18,11,5,2,9,17,7,12,10,20,6,16,1,26/rA:26OCCCCNCCCFCFCCCNCCCNCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s9;s11;d11;s13;s8d14;d7;s5s16;s2d17;s18;s19;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-SHVYQGGWFJHSCU_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013206;70687463,Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1ccco1,SHVYQGGWFJHSCU,SHVYQGGWFJHSCU-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-14-5-1-4-12(17(14)21)19-23-15-6-7-16(25)13(18(15)24-19)10-22-9-11-3-2-8-26-11/h1-8,22,25H,9-10H2,(H,23,24)","""AuxInfo=1/1/N:14,24,23,15,13,4,3,25,21,19,22,8,18,11,5,2,9,17,7,12,10,20,6,16,1,26/rA:26OCCCCNCCCFCFCCCNCCCNCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s9;s11;d11;s13;s8d14;d7;s5s16;s2d17;s18;s19;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  6.100;  6.100,6.1,0.0,0.0,2.0,6.1,0.0
-SHZUGBYEPDMAPC_on_O15399_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_O60391_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_Q05586_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_Q12879_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_Q13224_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SHZUGBYEPDMAPC_on_Q14957_WT,Low,ChEMBL30,CHEMBL296577,O=[N+]([O-])c1c(O)c2c(cccc2)nc1O,SHZUGBYEPDMAPC,SHZUGBYEPDMAPC-UHFFFAOYSA-N,"InChI=1S/C9H6N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4H,(H2,10,12,13)","""AuxInfo=1/1/N:11,10,12,9,7,8,4,5,14,13,2,6,15,1,3/E:(14,15)/CRV:11.5/rA:15ON+O-CCOCCCCCCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s8;s4d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-SIBRGSBVGDWJAF_on_O00591_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_O14764_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P14867_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P18505_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P18507_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P28472_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P31644_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P34903_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P47869_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P47870_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P48169_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_P78334_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_Q16445_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SIBRGSBVGDWJAF_on_Q99928_WT,Low,ChEMBL30,CHEMBL445138,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1,SIBRGSBVGDWJAF,SIBRGSBVGDWJAF-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-5-3-4-6-11(9)14-16(24)26(25-17(14)27-2)15-12(19)7-10(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:23,1,25,26,24,27,9,15,22,10,21,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;s22;d24;s25;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-SICBNSXYDXXPGG_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779879;CHEMBL1779879;54580600,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccs1)cc2,SICBNSXYDXXPGG,SICBNSXYDXXPGG-UHFFFAOYSA-N,"InChI=1S/C19H18N2OS/c22-19-17-10-8-14(7-9-16-6-3-13-23-16)20-18(17)11-12-21(19)15-4-1-2-5-15/h3,6,8,10,13,15H,1-2,4-5,11-12H2","""AuxInfo=1/0/N:10,11,19,9,12,18,15,22,16,23,5,6,20,14,8,17,3,4,2,13,7,1,21/E:(1,2)(4,5)/rA:23OCCCCCNCCCCCNCCCCCCCSCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s17s20;s14;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598492,2011;2011;2012,0,1;0;0,0,0;1;0,0;0;1,,=,  7.920;  5.550;  7.921,7.13,1.117,0.79,3.0,7.92,0.001
-SIMRHOCKDXANLH_on_P41594_WT,High,ChEMBL30,CHEMBL4249547,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCOCCOCCOCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1,SIMRHOCKDXANLH,SIMRHOCKDXANLH-UHFFFAOYSA-N,"InChI=1S/C43H52N8O8S/c1-33-46-36(32-60-33)10-8-34-24-38(27-44-26-34)58-31-43(52)45-12-18-55-20-22-57-23-21-56-19-17-51-29-37(47-48-51)30-59-41-11-9-35(25-42(41)54-3)28-49-13-15-50(16-14-49)39-6-4-5-7-40(39)53-2/h4-7,9,11,24-27,29,32H,12-23,28,30-31H2,1-3H3,(H,45,52)","""AuxInfo=1/1/N:54,14,1,17,16,18,15,48,21,49,22,39,8,20,9,19,29,38,30,36,32,35,33,46,4,56,58,6,27,25,43,51,53,47,5,50,26,45,11,12,23,3,41,57,40,55,60,59,7,10,28,42,13,2,37,31,34,44,24,52/E:(13,14)(15,16)/rA:60COCCCCNCCNCCOCCCCCCCCCCOCCCNCCOCCOCCOCCNCOCOCCCCCCCSCCNCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;d41;s41;s43;s44;d45;s46;s47;t48;s49;d50;s51;s52;s53;s50d53;d47;s56;s45d57;s28;s26d59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-SINAJPKUKOSXOT_on_O00591_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.670;  7.160,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_O14764_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.160;  6.670,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_P14867_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427536;CHEMBL3427527;CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0;1;0,0;1;1;0;1,0,0,0,,=,  7.160;  6.410;  5.670;  6.670;  5.660,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P18505_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527;CHEMBL3427536;CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  7.160;  6.670;  5.660;  6.410;  5.670,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P18507_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.160;  6.670,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_P28472_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427536;CHEMBL3427527;CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;1;1,1;1;1;0;0,0,0,0,,=,  5.660;  6.410;  5.670;  6.670;  7.160,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P31644_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536;CHEMBL3427536;CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  6.670;  7.160;  5.660;  5.670;  6.410,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P34903_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527;CHEMBL3427536;CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0;0;1,0;1;1;1;0,0,0,0,,=,  7.160;  5.670;  6.410;  5.660;  6.670,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P47869_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527;CHEMBL3427536;CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  7.160;  6.670;  5.660;  5.670;  6.410,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P47870_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536;CHEMBL3427527;CHEMBL3427536;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  6.670;  7.160;  5.670;  6.410;  5.660,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P48169_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536;CHEMBL3427536;CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0,0;0;1;1;1,0,0,0,,=,  6.670;  7.160;  5.660;  5.670;  6.410,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_P78334_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.670;  7.160,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.160;  6.670,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.160;  6.670,6.915,0.245,0.245,2.0,6.915,0.245
-SINAJPKUKOSXOT_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427527;CHEMBL3427536;CHEMBL3427527;CHEMBL3427536;CHEMBL3427536,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3427980;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0,1;1;0;0;1,0,0,0,,=,  5.670;  6.410;  6.670;  7.160;  5.660,6.314,0.5820000000000001,0.29100000000000004,5.0,6.41,0.74
-SINAJPKUKOSXOT_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427536;CHEMBL3427527,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1,SINAJPKUKOSXOT,SINAJPKUKOSXOT-UHFFFAOYSA-N,"InChI=1S/C22H34N4O2/c1-21(28)9-7-15-14(11-21)3-4-17-16(15)8-10-22(2)18(17)5-6-19(22)20(27)12-26-13-23-24-25-26/h13-19,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,21,7,6,11,10,27,16,17,2,14,22,23,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.160;  6.670,6.915,0.245,0.245,2.0,6.915,0.245
-SINNKSZURBXUGH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3633387,NCC1COCC(c2ccccc2)(c2ccccc2)O1,SINNKSZURBXUGH,SINNKSZURBXUGH-UHFFFAOYSA-N,"InChI=1S/C17H19NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2","""AuxInfo=1/0/N:11,17,10,12,16,18,9,13,15,19,2,4,6,8,14,3,7,1,5,20/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)/rA:20NCCCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3636231,PMID:26430967,2015.0,PMID:26430967,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-SINNKSZURBXUGH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3633387,NCC1COCC(c2ccccc2)(c2ccccc2)O1,SINNKSZURBXUGH,SINNKSZURBXUGH-UHFFFAOYSA-N,"InChI=1S/C17H19NO2/c18-11-16-12-19-13-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2","""AuxInfo=1/0/N:11,17,10,12,16,18,9,13,15,19,2,4,6,8,14,3,7,1,5,20/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)/rA:20NCCCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s15;d16;s17;s14d18;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3636231,PMID:26430967,2015.0,PMID:26430967,2015,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-SINSISHOQIDCEP_on_P41594_WT,High,ChEMBL30,CHEMBL380626,CN1CCCC1=NC(=O)Nc1cccc(Cl)c1,SINSISHOQIDCEP,SINSISHOQIDCEP-UHFFFAOYSA-N,"InChI=1S/C12H14ClN3O/c1-16-7-3-6-11(16)15-12(17)14-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)","""AuxInfo=1/1/N:1,13,4,14,12,5,3,17,15,11,6,8,16,10,7,2,9/rA:17CNCCCCNCONCCCCCClC/rB:s1;s2;s3;s4;s2s5;w?6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-SIPHVHFVEKBHKT_on_P14867_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-SIPHVHFVEKBHKT_on_P18507_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273619;CHEMBL1273618;CHEMBL1273617;CHEMBL1273615;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.480;  6.720;  6.000;  7.370;  8.000;  5.700,6.877999999999999,0.821,0.36700000000000005,6.0,7.045,0.695
-SIPHVHFVEKBHKT_on_P28472_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273620;CHEMBL1273618;CHEMBL1273616;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.720;  8.000;  5.700;  6.000;  7.480;  7.370,6.877999999999999,0.821,0.36700000000000005,6.0,7.045,0.695
-SIPHVHFVEKBHKT_on_P31644_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SIPHVHFVEKBHKT_on_P34903_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-SIPHVHFVEKBHKT_on_P47869_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SIPHVHFVEKBHKT_on_P48169_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SIPHVHFVEKBHKT_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270639,O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1,SIPHVHFVEKBHKT,SIPHVHFVEKBHKT-UHFFFAOYSA-N,"InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCClClClCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-SISOFUCTXZKSOQ_on_O00222_WT,Low,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SISOFUCTXZKSOQ_on_O15303_WT,Low,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SISOFUCTXZKSOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712;CHEMBL711710;CHEMBL715726;CHEMBL715727,PMID:10639281,1999.0,PMID:10893301;PMID:11814808;PMID:10639281;PMID:11814808,2000;2002;1999;2002,0;1;1;1,0,0,1;0;0;0,0,,=,  6.540;  5.960;  6.540;  5.520,6.14,0.429,0.248,4.0,6.25,0.29
-SISOFUCTXZKSOQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SISOFUCTXZKSOQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SISOFUCTXZKSOQ_on_Q14832_WT,Low,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SISOFUCTXZKSOQ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL88612,Cc1cccc(C=Cc2ccccc2)n1,SISOFUCTXZKSOQ,SISOFUCTXZKSOQ-UHFFFAOYSA-N,"InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,8,7,2,9,6,15/E:(3,4)(7,8)/rA:15CCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-SJAGJFDQMIAULO_on_P14867_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.160,8.16,0.0,0.0,1.0,8.16,0.0
-SJAGJFDQMIAULO_on_P18507_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.640;  9.120;  8.160;  8.250,8.542,0.379,0.21899999999999997,4.0,8.445,0.24
-SJAGJFDQMIAULO_on_P28472_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.160;  8.640;  8.250;  9.120,8.543,0.379,0.21899999999999997,4.0,8.445,0.24
-SJAGJFDQMIAULO_on_P31644_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.120,9.12,0.0,0.0,1.0,9.12,0.0
-SJAGJFDQMIAULO_on_P34903_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-SJAGJFDQMIAULO_on_P47869_WT,Low,ChEMBL30,CHEMBL179558,c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1,SJAGJFDQMIAULO,SJAGJFDQMIAULO-UHFFFAOYSA-N,"InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2","""AuxInfo=1/0/N:1,2,34,17,3,33,18,23,24,29,31,28,32,16,21,13,22,30,27,4,14,19,9,10,5,8,11,15,6,7,25,26,20,12/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34CCCCCNNCCCCOCCNCCCCOCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s22s23;d11;s5s8s25;s10;s27;s28;s9s29;s30;s27s31;s4;s1d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.250,8.25,0.0,0.0,1.0,8.25,0.0
-SJAWBUCODUVBSE_on_O15303_WT,Low,ChEMBL30,CHEMBL3806137,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2,SJAWBUCODUVBSE,SJAWBUCODUVBSE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3/c1-22(2,3)13-28-17-7-8-18(23-19(17)25(4)21(28)30)26-11-15-6-5-14(26)12-27(15)20(29)16-9-10-31-24-16/h7-10,14-15H,5-6,11-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,29,28,16,21,6,20,17,25,11,14,12,23,3,7,13,26,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SJAWBUCODUVBSE_on_P41594_WT,Low,ChEMBL30,CHEMBL3806137,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2,SJAWBUCODUVBSE,SJAWBUCODUVBSE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3/c1-22(2,3)13-28-17-7-8-18(23-19(17)25(4)21(28)30)26-11-15-6-5-14(26)12-27(15)20(29)16-9-10-31-24-16/h7-10,14-15H,5-6,11-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,29,28,16,21,6,20,17,25,11,14,12,23,3,7,13,26,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SJAWBUCODUVBSE_on_Q14416_WT,High,ChEMBL30,CHEMBL3806137,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2,SJAWBUCODUVBSE,SJAWBUCODUVBSE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3/c1-22(2,3)13-28-17-7-8-18(23-19(17)25(4)21(28)30)26-11-15-6-5-14(26)12-27(15)20(29)16-9-10-31-24-16/h7-10,14-15H,5-6,11-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,29,28,16,21,6,20,17,25,11,14,12,23,3,7,13,26,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550;CHEMBL3807551,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  7.540;  6.170,6.855,0.685,0.685,2.0,6.855,0.685
-SJAWBUCODUVBSE_on_Q14832_WT,Low,ChEMBL30,CHEMBL3806137,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2,SJAWBUCODUVBSE,SJAWBUCODUVBSE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3/c1-22(2,3)13-28-17-7-8-18(23-19(17)25(4)21(28)30)26-11-15-6-5-14(26)12-27(15)20(29)16-9-10-31-24-16/h7-10,14-15H,5-6,11-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,29,28,16,21,6,20,17,25,11,14,12,23,3,7,13,26,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SJAWBUCODUVBSE_on_Q14833_WT,Low,ChEMBL30,CHEMBL3806137,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2,SJAWBUCODUVBSE,SJAWBUCODUVBSE-UHFFFAOYSA-N,"InChI=1S/C22H28N6O3/c1-22(2,3)13-28-17-7-8-18(23-19(17)25(4)21(28)30)26-11-15-6-5-14(26)12-27(15)20(29)16-9-10-31-24-16/h7-10,14-15H,5-6,11-13H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,29,28,16,21,6,20,17,25,11,14,12,23,3,7,13,26,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SJDDUFOMLKNPQT_on_P41594_WT,High,ChEMBL30,CHEMBL3746604,Cc1ccc(OCc2nn3CCN(c4ccc(F)cc4)C(=O)c3c2)cc1,SJDDUFOMLKNPQT,SJDDUFOMLKNPQT-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3","""AuxInfo=1/0/N:1,3,26,16,19,15,20,4,25,12,11,24,7,2,17,8,14,5,23,21,18,9,13,10,22,6/E:(2,3)(4,5)(6,7)(8,9)/rA:26CCCCCOCCNNCCNCCCCFCCCOCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s17;s14d19;s13;d21;s10s21;s8d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.520;  6.520,6.52,0.0,0.0,2.0,6.52,0.0
-SJHOBQFHMCXFIG_on_P41594_WT,Low,ChEMBL30,CHEMBL395645,COc1c(OC)c2c(cc1)C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O,SJHOBQFHMCXFIG,SJHOBQFHMCXFIG-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3O5/c1-31-18-9-7-15-19(20(18)32-2)23(30)27(22(15)29)12-13-11-14(24)6-8-16(13)26-21(28)17-5-3-4-10-25-17/h3-11H,12H2,1-2H3,(H,26,28)","""AuxInfo=1/1/N:1,6,27,28,26,19,9,20,10,29,16,14,15,17,8,21,25,3,7,4,23,11,31,18,30,22,13,24,12,32,2,5/rA:32COCCOCCCCCCONCCCCClCCCNCOCCCCCNCO/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s8;d11;s11;s13;s14;d15;s16;s17;d17;s19;s15d20;s21;s22;d23;s23;d25;s26;d27;s28;s25d29;s7s13;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SJJSHLRFCBWELS_on_P41594_WT,High,ChEMBL30,CHEMBL202277,CCc1c(C#Cc2cnccc2)nc(C)s1,SJJSHLRFCBWELS,SJJSHLRFCBWELS-UHFFFAOYSA-N,"InChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3","""AuxInfo=1/0/N:1,15,2,11,12,6,5,10,8,14,7,4,3,9,13,16/rA:16CCCCCCCCNCCCNCCS/rB:s1;s2;d3;s4;t5;s6;d7;s8;d9;s10;s7d11;s4;d13;s14;s3s14;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  5.910,5.91,0.0,0.0,1.0,5.91,0.0
-SJMODLKLFYLWBR_on_Q14416_WT,High,ChEMBL30,CHEMBL3764005,Cc1ccccc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C,SJMODLKLFYLWBR,SJMODLKLFYLWBR-UHFFFAOYSA-N,"InChI=1S/C19H23N3O/c1-13-8-6-7-9-14(13)15-10-11-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:1,21,22,23,15,4,5,3,6,9,10,19,2,7,8,11,12,16,20,13,14,18,17/E:(2,3,4)/rA:23CCCCCCCCCCCCNNCCONCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;d10;s11;s8d12;s12;s14;s14;d16;s11s16;s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-SJRZFXNANSEKHZ_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023473,O=C(COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCOCC1,SJRZFXNANSEKHZ,SJRZFXNANSEKHZ-UHFFFAOYSA-N,"InChI=1S/C24H22N4O3/c29-24(27-10-12-30-13-11-27)17-31-20-6-7-22-21(8-9-25-23(22)14-20)18-15-26-28(16-18)19-4-2-1-3-5-19/h1-9,14-16H,10-13,17H2","""AuxInfo=1/0/N:16,15,17,14,18,6,7,21,22,27,31,28,30,25,20,11,3,10,13,5,9,8,24,2,23,19,26,12,1,29,4/E:(2,3)(4,5)(10,11)(12,13)/rA:31OCCOCCCCCCCNCCCCCCNCCCNCCNCCOCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s12;s10d19;d9;s21;d22;s8s23;s5d24;s2;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SJTAQJTXNNWMAB_on_Q14416_WT,High,ChEMBL30,CHEMBL3894283,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)c(F)c1,SJTAQJTXNNWMAB,SJTAQJTXNNWMAB-UHFFFAOYSA-N,"InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29)","""AuxInfo=1/1/N:1,17,4,16,5,23,24,27,30,8,19,18,3,6,15,7,28,14,9,21,25,10,29,11,13,20,22,26,12,2/E:(6,7)(20,21)(27,28)/rA:30COCCCCCCCCNONCCCCCCNCOCCCOCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;s14d18;s6;s28;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4310442,PATENT:US9278960B2,2016.0,PMID:30350962,2018,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-SJTAQJTXNNWMAB_on_Q14832_WT,Low,ChEMBL30,CHEMBL3894283,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)c(F)c1,SJTAQJTXNNWMAB,SJTAQJTXNNWMAB-UHFFFAOYSA-N,"InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29)","""AuxInfo=1/1/N:1,17,4,16,5,23,24,27,30,8,19,18,3,6,15,7,28,14,9,21,25,10,29,11,13,20,22,26,12,2/E:(6,7)(20,21)(27,28)/rA:30COCCCCCCCCNONCCCCCCNCOCCCOCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;s14d18;s6;s28;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4310444,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SJXOZJKKJMDSIT_on_Q14833_WT,High,ChEMBL30,CHEMBL4245306,Cn1nc(CC(F)(F)F)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,SJXOZJKKJMDSIT,SJXOZJKKJMDSIT-UHFFFAOYSA-N,"InChI=1S/C16H13F3N6/c1-25-13-7-9(4-5-10(13)12(24-25)8-16(17,18)19)21-15-14-11(22-23-15)3-2-6-20-14/h2-7H,8H2,1H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,19,20,24,25,18,12,5,13,10,21,4,11,16,15,6,7,8,9,17,14,22,23,3,2/E:(17,18,19)/rA:25CNNCCCFFFCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s6;s6;s6;s4;s2d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s16s20;d21;s15s22;s13;s10d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SJYPGLAXMLBTJM_on_Q14416_WT,High,ChEMBL30,CHEMBL3980125,CCCc1c(OCc2cccc(Oc3ncccc3-c3n[nH]nn3)c2)ccc(C(C)=O)c1O,SJYPGLAXMLBTJM,SJYPGLAXMLBTJM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-6-19-21(11-10-18(15(2)30)22(19)31)32-14-16-7-4-8-17(13-16)33-24-20(9-5-12-25-24)23-26-28-29-27-23/h4-5,7-13,31H,3,6,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,10,17,3,9,11,18,27,26,16,25,7,29,8,12,28,4,19,5,32,20,14,15,21,24,22,23,31,33,6,13/E:(26,27)(28,29)/rA:33CCCCCOCCCCCCOCNCCCCCNNNNCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;s22;s20d23;s8d12;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-SJZCGJQBEHEFKY_on_P41594_WT,High,ChEMBL30,CHEMBL3702397,Cn1cc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)cn1,SJZCGJQBEHEFKY,SJZCGJQBEHEFKY-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-10-13(8-20-21)16-7-17-15-4-2-3-12(11-23)14(15)5-6-22(17)18(24)9-19-16/h2-4,7-8,10,23H,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,22,23,7,3,19,18,4,13,14,5,21,8,6,24,2,10,20,9/rA:24CNCCCNCCONCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s10s14;s5w?21;s4;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-SJZCGJQBEHEFKY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702397,Cn1cc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)cn1,SJZCGJQBEHEFKY,SJZCGJQBEHEFKY-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-21-10-13(8-20-21)16-7-17-15-4-2-3-12(11-23)14(15)5-6-22(17)18(24)9-19-16/h2-4,7-8,10,23H,5-6,9,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,22,23,7,3,19,18,4,13,14,5,21,8,6,24,2,10,20,9/rA:24CNCCCNCCONCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s10s14;s5w?21;s4;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-SKAZIBNTPHMTSW_on_Q14416_WT,High,ChEMBL30,CHEMBL424998,CCCc1c2nnn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,SKAZIBNTPHMTSW,SKAZIBNTPHMTSW-UHFFFAOYSA-N,"InChI=1S/C25H33N7O2/c1-5-8-20-22(14-13-21-23(20)26-31-32(21)17-25(2,3)4)34-16-7-6-15-33-19-11-9-18(10-12-19)24-27-29-30-28-24/h9-14H,5-8,15-17H2,1-4H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,22,19,9,27,24,4,14,17,5,28,10,6,29,32,30,31,7,8,23,18/E:(2,3,4)(9,10)(11,12)(27,28)(29,30)/rA:34CCCCCNNNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL831817;CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  6.030;  6.730,6.38,0.35,0.35,2.0,6.38,0.35
-SKDVTITYKQZQFL_on_P41594_WT,Medium,ChEMBL30,CHEMBL361516,FC(F)(F)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,SKDVTITYKQZQFL,SKDVTITYKQZQFL-UHFFFAOYSA-N,"InChI=1S/C19H12F3N5/c20-19(21,22)16-9-2-1-8-15(16)13-6-5-7-14(12-13)27-25-18(24-26-27)17-10-3-4-11-23-17/h1-12H","""AuxInfo=1/0/N:25,26,20,19,9,8,10,24,27,21,18,23,7,11,6,5,16,15,2,1,3,4,17,14,22,13,12/E:(20,21,22)/rA:27FCFFCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s7d11;s6;d24;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-SKFQPYCEHCUNAV_on_P41594_WT,Low,ChEMBL30,CHEMBL1783982,O=C(Cc1cccs1)N1CCCC2(CCCCC2)C1,SKFQPYCEHCUNAV,SKFQPYCEHCUNAV-UHFFFAOYSA-N,"InChI=1S/C16H23NOS/c18-15(12-14-6-4-11-19-14)17-10-5-9-16(13-17)7-2-1-3-8-16/h4,6,11H,1-3,5,7-10,12-13H2","""AuxInfo=1/0/N:16,15,17,6,11,5,14,18,12,10,7,3,19,4,2,13,9,1,8/E:(2,3)(7,8)/rA:19OCCCCCCSNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s4s7;s2;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9s13;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SKGULNXKJSHPGF_on_Q14416_WT,Low,ChEMBL30,CHEMBL1288411,NC(Cc1cn(CC(=O)O)nn1)C(=O)O,SKGULNXKJSHPGF,SKGULNXKJSHPGF-UHFFFAOYSA-N,"InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,5,7,4,2,8,13,1,12,11,6,9,10,14,15/E:(12,13)(14,15)/rA:15NCCCCNCCOONNCOO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s8;s6;s4d11;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1292356,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SKGULNXKJSHPGF_on_Q14833_WT,Low,ChEMBL30,CHEMBL1288411,NC(Cc1cn(CC(=O)O)nn1)C(=O)O,SKGULNXKJSHPGF,SKGULNXKJSHPGF-UHFFFAOYSA-N,"InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:3,5,7,4,2,8,13,1,12,11,6,9,10,14,15/E:(12,13)(14,15)/rA:15NCCCCNCCOONNCOO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s8;s6;s4d11;s2;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1292357,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SKINSHNFPWBOIP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114464,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)ccn1,SKINSHNFPWBOIP,SKINSHNFPWBOIP-UHFFFAOYSA-N,"InChI=1S/C20H18Cl2FN3O/c1-12-8-13(4-6-24-12)19-18-5-7-27-15(10-23)11-26(18)20(25-19)14-2-3-16(21)17(22)9-14/h2-4,6,8-9,15H,5,7,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,25,7,26,8,3,23,11,13,2,4,16,10,19,21,6,5,15,20,22,12,27,24,14,9/rA:27CCCCCCCCOCCFCNCCCCCClCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-SKLUJWCJEMDWKZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3936409,CN1C(=O)C(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C,SKLUJWCJEMDWKZ,SKLUJWCJEMDWKZ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-9-8-15(13-21-17)7-6-14-5-4-10-20-12-14/h4-5,8-10,12-13,16H,11H2,1-3H3","""AuxInfo=1/0/N:22,23,1,14,13,11,10,8,7,15,20,17,18,12,9,5,6,3,21,16,19,2,4/E:(1,2)/rA:23CNCOCCCCCCCCCCCNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-SKRJSCVZKOXECU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3930079,CC1CN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)OC1(C)C,SKRJSCVZKOXECU,SKRJSCVZKOXECU-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O2/c1-12-11-24(18(25)26-19(12,2)3)17-22-9-13(10-23-17)4-5-14-8-15(20)6-7-16(14)21/h6-10,12H,11H2,1-3H3","""AuxInfo=1/0/N:1,25,26,9,10,15,16,12,7,19,3,2,8,11,13,17,5,21,24,14,18,6,20,4,22,23/E:(2,3)(9,10)(22,23)/rA:26CCCNCNCCCCCCCFCCCFCNCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;s13;d13;s15;s11d16;s17;s8;s5d19;s4;d21;s21;s2s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-SKTPNSULHIIWFC_on_P41594_WT,High,ChEMBL30,CHEMBL1290330,O=C(COCc1ncccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,SKTPNSULHIIWFC,SKTPNSULHIIWFC-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O2/c18-13-2-3-15(14(19)10-13)22-6-8-23(9-7-22)17(24)12-25-11-16-20-4-1-5-21-16/h1-5,10H,6-9,11-12H2","""AuxInfo=1/0/N:9,18,17,8,10,14,24,13,25,21,5,3,19,22,16,6,2,20,23,7,11,15,12,1,4/E:(4,5)(6,7)(8,9)(20,21)/rA:25OCCOCCNCCCNNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  4.750,4.75,0.0,0.0,1.0,4.75,0.0
-SKUYXOKSSJNXTL_on_Q13255_WT,High,ChEMBL30,CHEMBL3422882,N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccc(F)cc1)C2,SKUYXOKSSJNXTL,SKUYXOKSSJNXTL-UHFFFAOYSA-N,"InChI=1S/C22H18FN3OS/c23-17-8-6-16(7-9-17)22(27)26-11-10-18-19(12-24)21(28-20(18)14-26)25-13-15-4-2-1-3-5-15/h1-9,25H,10-11,13-14H2","""AuxInfo=1/0/N:10,9,11,8,12,22,27,23,26,16,17,2,6,28,7,21,24,15,3,14,4,19,25,1,5,18,20,13/E:(2,3)(4,5)(6,7)(8,9)/rA:28NCCCNCCCCCCCSCCCCNCOCCCCFCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s3d14;s15;s16;s17;s18;d19;s19;d21;s22;d23;s24;s24;s21d26;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-SKVOKOBNKUHBFT_on_Q14416_WT,High,ChEMBL30,CHEMBL3985987,Fc1cc(F)c(N2CCCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,SKVOKOBNKUHBFT,SKVOKOBNKUHBFT-UHFFFAOYSA-N,"InChI=1S/C23H24F5N5/c24-17-4-5-19(18(25)13-17)32-8-1-7-31(10-11-32)14-16-6-9-33-20(12-15-2-3-15)29-30-22(33)21(16)23(26,27)28/h4-6,9,13,15H,1-3,7-8,10-12,14H2","""AuxInfo=1/0/N:9,25,26,33,32,29,10,8,28,30,31,23,3,12,24,13,2,4,6,22,14,19,15,1,5,16,17,18,21,20,11,7,27/E:(2,3)(26,27,28)/rA:33FCCCFCNCCCNCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s11;s7s30;s6;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-SKWHGYKYQAGZNU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771693,O=C(C1CCC1)N1CCCC1c1nc(-c2ccc(F)cc2)no1,SKWHGYKYQAGZNU,SKWHGYKYQAGZNU-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O2/c18-13-8-6-11(7-9-13)15-19-16(23-20-15)14-5-2-10-21(14)17(22)12-3-1-4-12/h6-9,12,14H,1-5,10H2","""AuxInfo=1/0/N:5,9,4,6,10,16,21,17,20,8,15,3,18,11,14,12,2,19,13,22,7,1,23/E:(3,4)(6,7)(8,9)/rA:23OCCCCCNCCCCCNCCCCCFCCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s7s10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-SKXHDGSZNSAVDC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1199054,COc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(OC)c2)[nH]3)c1,SKXHDGSZNSAVDC,SKXHDGSZNSAVDC-UHFFFAOYSA-P,"InChI=1S/C29H28N4O2/c1-34-20-6-8-26-24(16-20)22-10-14-32(18-28(22)30-26)12-4-3-5-13-33-15-11-23-25-17-21(35-2)7-9-27(25)31-29(23)19-33/h6-11,14-19H,3-5,12-13H2,1-2H3/p+2","""AuxInfo=1/5/N:1,32,17,16,18,8,29,7,28,12,24,15,19,13,25,4,33,35,21,3,30,11,23,5,26,6,27,10,22,9,34,14,20,2,31/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35COCCCCCCNCCCCN+CCCCCN+CCCCCCCCCCOCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s5d10;s11;d12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s23;d26;s27;d28;s29;s30;s31;s26d30;s22s27;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.530,4.53,0.0,0.0,1.0,4.53,0.0
-SKXHDGSZNSAVDC_on_Q12879_WT,Low,ChEMBL30,CHEMBL1199054,COc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(OC)c2)[nH]3)c1,SKXHDGSZNSAVDC,SKXHDGSZNSAVDC-UHFFFAOYSA-P,"InChI=1S/C29H28N4O2/c1-34-20-6-8-26-24(16-20)22-10-14-32(18-28(22)30-26)12-4-3-5-13-33-15-11-23-25-17-21(35-2)7-9-27(25)31-29(23)19-33/h6-11,14-19H,3-5,12-13H2,1-2H3/p+2","""AuxInfo=1/5/N:1,32,17,16,18,8,29,7,28,12,24,15,19,13,25,4,33,35,21,3,30,11,23,5,26,6,27,10,22,9,34,14,20,2,31/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35COCCCCCCNCCCCN+CCCCCN+CCCCCCCCCCOCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s5d10;s11;d12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s23;d26;s27;d28;s29;s30;s31;s26d30;s22s27;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.530,4.53,0.0,0.0,1.0,4.53,0.0
-SKXVAJDVDHIALR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3940380,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1,SKXVAJDVDHIALR,SKXVAJDVDHIALR-UHFFFAOYSA-N,"InChI=1S/C20H19Cl2N3O/c1-12-9-15(10-13(2)23-12)19-18-5-7-26-8-6-25(18)20(24-19)14-3-4-16(21)17(22)11-14/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,25,15,16,7,11,8,10,3,23,21,2,24,14,4,17,19,6,5,13,18,20,26,22,12,9/E:(1,2)(9,10)(12,13)/rA:26CCCCCCCCOCCNCCCCCClCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s14d19;s5d13;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-SKYLPCRARVLFIM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70683431;CHEMBL2022162,N#Cc1cc(NC(=O)NC2=NC(=O)CCN2)ccc1,SKYLPCRARVLFIM,SKYLPCRARVLFIM-UHFFFAOYSA-N,"InChI=1S/C12H11N5O2/c13-7-8-2-1-3-9(6-8)15-12(19)17-11-14-5-4-10(18)16-11/h1-3,6H,4-5H2,(H3,14,15,16,17,18,19)","""AuxInfo=1/1/N:18,19,17,14,15,4,2,3,5,12,10,7,1,16,6,11,9,13,8/rA:19NCCCCNCONCNCOCCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;d12;s12;s14;s10s15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  5.398;  5.400,5.399,0.001,0.001,2.0,5.399,0.001
-SLCSULUHRPNZMU_on_O15399_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_O60391_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_P41594_WT,High,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-SLCSULUHRPNZMU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_Q05586_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_Q12879_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_Q13224_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLCSULUHRPNZMU_on_Q14957_WT,Low,ChEMBL30,CHEMBL4166199,Cc1ccc(-n2nc(C)c3conc3c2=O)cc1,SLCSULUHRPNZMU,SLCSULUHRPNZMU-UHFFFAOYSA-N,"InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3","""AuxInfo=1/0/N:1,9,3,18,4,17,11,2,8,5,10,14,15,7,13,6,16,12/E:(3,4)(5,6)/rA:18CCCCCNNCCCCONCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s10d13;s6s14;d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SLFBHONCPFNHGU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,9881352;CHEMBL189389,N#Cc1cc(-n2cc(-c3ccccn3)cn2)ccc1,SLFBHONCPFNHGU,SLFBHONCPFNHGU-UHFFFAOYSA-N,"InChI=1S/C15H10N4/c16-9-12-4-3-5-14(8-12)19-11-13(10-18-19)15-6-1-2-7-17-15/h1-8,10-11H","""AuxInfo=1/0/N:11,12,18,19,17,10,13,4,2,15,7,3,8,5,9,1,14,16,6/rA:19NCCCCNCCCCCCCNCNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s6d15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:248415;CHEMBL833257,PMID:15341479,2004.0,PubChemAID:248415;PMID:15341479,2010;2004,0;1,0,0,0,1;0,,=,  6.854;  6.850,6.852,0.002,0.002,2.0,6.852,0.002
-SLFPJYVFAIGEKQ_on_O15399_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_O60391_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLFPJYVFAIGEKQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365779,N=C(N)NN=Cc1cc2c(cccc2)[nH]1,SLFPJYVFAIGEKQ,SLFPJYVFAIGEKQ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-13-6-8-5-7-3-1-2-4-9(7)14-8/h1-6,14H,(H4,11,12,15)","""AuxInfo=1/1/N:13,12,14,11,8,6,9,7,10,2,1,3,5,15,4/E:(11,12)/rA:15NCNNNCCCCCCCCCN/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SLIPPDWMEGYOAJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3759705,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)nco1,SLIPPDWMEGYOAJ,SLIPPDWMEGYOAJ-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O4/c1-9-14(21-8-27-9)16(24)22-10-4-5-13(12(19)7-10)23-17(25)11-3-2-6-20-15(11)18(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,8,9,17,24,26,2,7,14,22,10,3,15,4,12,20,23,16,25,6,11,5,13,21,27/rA:27CCCCONCCCCNCOCCNCCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.770;  5.770,5.77,0.0,0.0,2.0,5.77,0.0
-SLIPPDWMEGYOAJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3759705,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)nco1,SLIPPDWMEGYOAJ,SLIPPDWMEGYOAJ-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O4/c1-9-14(21-8-27-9)16(24)22-10-4-5-13(12(19)7-10)23-17(25)11-3-2-6-20-15(11)18(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,8,9,17,24,26,2,7,14,22,10,3,15,4,12,20,23,16,25,6,11,5,13,21,27/rA:27CCCCONCCCCNCOCCNCCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-SLIVCTPEVFGRBS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107291,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CC4)c3)n2)cc(C)n1,SLIVCTPEVFGRBS,SLIVCTPEVFGRBS-UHFFFAOYSA-N,"InChI=1S/C25H28FN3O2/c1-15-10-20(11-16(2)27-15)24-22-8-9-30-17(3)13-29(22)25(28-24)19-6-7-21(26)23(12-19)31-14-18-4-5-18/h6-7,10-12,17-18H,4-5,8-9,13-14H2,1-3H3","""AuxInfo=1/0/N:1,30,11,24,25,16,17,7,8,3,28,26,12,22,2,29,10,23,15,4,18,6,20,5,14,19,31,27,13,9,21/E:(1,2)(4,5)(10,11)(15,16)/rA:31CCCCCCCCOCCCNCCCCCFCOCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s23s24;s15d20;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-SLJUBBDNWOFUGZ_on_P41594_WT,High,ChEMBL30,CHEMBL3672914,CC(C)c1nc2c(CCN(C(=O)c3nn4cc(Cl)cnc4c3)CC2)s1,SLJUBBDNWOFUGZ,SLJUBBDNWOFUGZ-UHFFFAOYSA-N,"InChI=1S/C17H18ClN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,3,24,8,23,9,22,19,16,2,17,6,13,7,21,4,11,18,20,5,14,10,15,12,25/E:(1,2)/rA:25CCCCNCCCCNCOCNNCCClCNCCCCS/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;s17;d19;s15s20;s13d21;s10;s6s23;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-SLLMZMSYBFFSLX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL202116;11701860,Cc1nc(C#Cc2cncc(Br)c2)cs1,SLLMZMSYBFFSLX,SLLMZMSYBFFSLX-UHFFFAOYSA-N,"InChI=1S/C11H7BrN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,13,8,10,14,2,7,11,4,12,9,3,15/rA:15CCNCCCCCNCCBrCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  7.220;  7.222,7.221,0.001,0.001,2.0,7.221,0.001
-SLNCMJYPLFSUGO_on_O00591_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_O14764_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P14867_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P18505_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P18507_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P28472_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P31644_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P34903_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P47869_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P47870_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P48169_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_P78334_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_Q16445_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNCMJYPLFSUGO_on_Q99928_WT,Low,ChEMBL30,CHEMBL55550,O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2,SLNCMJYPLFSUGO,SLNCMJYPLFSUGO-UHFFFAOYSA-N,InChI=1S/C15H8F2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCFCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-SLNJFRDFDZTYFR_on_Q13255_WT,High,ChEMBL30,CHEMBL2205368,COc1ccc(-n2cnc3c(sc4c3c(Nc3cccc(F)c3)ncn4)c2=O)cc1,SLNJFRDFDZTYFR,SLNJFRDFDZTYFR-UHFFFAOYSA-N,"InChI=1S/C21H14FN5O2S/c1-29-15-7-5-14(6-8-15)27-11-25-17-16-19(26-13-4-2-3-12(22)9-13)23-10-24-20(16)30-18(17)21(27)28/h2-11H,1H3,(H,23,24,26)","""AuxInfo=1/1/N:1,19,20,18,5,29,4,30,23,25,8,21,17,6,3,14,10,11,15,13,27,22,24,26,9,16,7,28,2,12/E:(5,6)(7,8)/rA:30COCCCCNCNCCSCCCNCCCCCFCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;d15;s24;s13d25;s7s11;d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SLPBDBMICWVAFZ_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647540,CC(C)S(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1,SLPBDBMICWVAFZ,SLPBDBMICWVAFZ-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O2S/c1-14(2)33(31,32)18-6-7-19(16(9-18)11-26)20-10-15(3-8-22(20)25)21-12-28-29-24-23(21)27-13-30(24)17-4-5-17/h3,6-10,12-14,17H,4-5H2,1-2H3","""AuxInfo=1/0/N:1,3,26,24,25,8,9,27,33,12,31,15,21,2,13,30,23,7,10,11,14,28,19,18,29,32,20,16,17,22,5,6,4/E:(1,2)(4,5)(31,32)/CRV:33.6/rA:33CCCSOOCCCCCCCCCNNCCNCNCCCCCCFCCNC/rB:s1;s2;s2;d4;d4;s4;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s18s21;s22;s23;s23s24;d13;s26;s11d27;s28;s10;s30;t31;s7d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-SLSRIELIUCLTJB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946016,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2)c3)cc1,SLSRIELIUCLTJB,SLSRIELIUCLTJB-UHFFFAOYSA-N,"InChI=1S/C25H23N3O2/c1-16(12-17-4-3-11-27-15-17)19-7-10-21-22(18-5-8-20(30-2)9-6-18)14-24(25(26)29)28-23(21)13-19/h3-11,13-16H,12H2,1-2H3,(H2,26,29)","""AuxInfo=1/1/N:20,1,24,23,5,29,17,4,30,16,25,21,28,8,27,19,22,6,18,3,15,7,14,9,10,11,26,13,12,2/E:(5,6)(8,9)/rA:30COCCCCCCCCNONCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s22d26;s14d18;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  8.300,8.15,0.15,0.15,2.0,8.15,0.15
-SMALKIPNDRHPDW_on_P14867_WT,Low,ChEMBL30,CHEMBL1091275,Cc1cccc(-c2nn(O)cc2C2CCNCC2)c1,SMALKIPNDRHPDW,SMALKIPNDRHPDW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-3-2-4-13(9-11)15-14(10-18(19)17-15)12-5-7-16-8-6-12/h2-4,9-10,12,16,19H,5-8H2,1H3","""AuxInfo=1/0/N:1,4,3,5,14,18,15,17,19,11,2,13,6,12,7,16,8,9,10/E:(5,6)(7,8)/rA:19CCCCCCCNNOCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s9;s7d11;s12;s13;s14;s15;s16;s13s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.720,5.72,0.0,0.0,2.0,5.72,0.0
-SMALKIPNDRHPDW_on_P18507_WT,Low,ChEMBL30,CHEMBL1091275,Cc1cccc(-c2nn(O)cc2C2CCNCC2)c1,SMALKIPNDRHPDW,SMALKIPNDRHPDW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-3-2-4-13(9-11)15-14(10-18(19)17-15)12-5-7-16-8-6-12/h2-4,9-10,12,16,19H,5-8H2,1H3","""AuxInfo=1/0/N:1,4,3,5,14,18,15,17,19,11,2,13,6,12,7,16,8,9,10/E:(5,6)(7,8)/rA:19CCCCCCCNNOCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s9;s7d11;s12;s13;s14;s15;s16;s13s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.720,5.72,0.0,0.0,2.0,5.72,0.0
-SMALKIPNDRHPDW_on_P47870_WT,Low,ChEMBL30,CHEMBL1091275,Cc1cccc(-c2nn(O)cc2C2CCNCC2)c1,SMALKIPNDRHPDW,SMALKIPNDRHPDW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-3-2-4-13(9-11)15-14(10-18(19)17-15)12-5-7-16-8-6-12/h2-4,9-10,12,16,19H,5-8H2,1H3","""AuxInfo=1/0/N:1,4,3,5,14,18,15,17,19,11,2,13,6,12,7,16,8,9,10/E:(5,6)(7,8)/rA:19CCCCCCCNNOCCCCCNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s9;s7d11;s12;s13;s14;s15;s16;s13s17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.720;  5.720,5.72,0.0,0.0,2.0,5.72,0.0
-SMCQZJFACKZUDB_on_O15399_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_O60391_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_Q05586_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.957;  4.970,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_Q12879_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_Q13224_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMCQZJFACKZUDB_on_Q14957_WT,Low,ChEMBL30,CHEMBL1185849,CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N,SMCQZJFACKZUDB,SMCQZJFACKZUDB-UHFFFAOYSA-N,"InChI=1S/C16H28N6O/c1-3-5-21(15(17)18)10-12-7-13(9-14(23)8-12)11-22(6-4-2)16(19)20/h7-9,23H,3-6,10-11H2,1-2H3,(H3,17,18)(H3,19,20)","""AuxInfo=1/1/N:1,13,2,12,3,11,7,20,17,5,9,6,8,18,21,14,22,23,15,16,4,10,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23CCCNCCCCCNCCCCNNCCOCCNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s12;s10;d14;s14;d8;s17;s18;s6d18;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.970;  3.957,4.463,0.506,0.506,2.0,4.463,0.506
-SMDCSNKFFKCUDO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,9837457;CHEMBL256455,Cc1nc(C#Cc2cc(F)ccc2)c(N)cc1,SMDCSNKFFKCUDO,SMDCSNKFFKCUDO-UHFFFAOYSA-N,"InChI=1S/C14H11FN2/c1-10-5-7-13(16)14(17-10)8-6-11-3-2-4-12(15)9-11/h2-5,7,9H,16H2,1H3","""AuxInfo=1/0/N:1,12,13,11,17,6,16,5,8,2,7,9,14,4,10,15,3/rA:17CCNCCCCCCFCCCCNCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s14;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  7.500;  7.500,7.5,0.0,0.0,2.0,7.5,0.0
-SMHNDWSKYPQLNK_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797378,CCN(Cc1cc(=O)n2c(C(C)(C)O)c(C)sc2n1)c1ccc(F)cc1,SMHNDWSKYPQLNK,SMHNDWSKYPQLNK-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2S/c1-5-22(15-8-6-13(20)7-9-15)11-14-10-16(24)23-17(19(3,4)25)12(2)26-18(23)21-14/h6-10,25H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,16,12,13,2,22,25,21,26,6,4,15,23,5,20,7,10,18,11,24,19,3,9,8,14,17/E:(3,4)(6,7)(8,9)/rA:26CCNCCCCONCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;s11;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-SMHNDWSKYPQLNK_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797378,CCN(Cc1cc(=O)n2c(C(C)(C)O)c(C)sc2n1)c1ccc(F)cc1,SMHNDWSKYPQLNK,SMHNDWSKYPQLNK-UHFFFAOYSA-N,"InChI=1S/C19H22FN3O2S/c1-5-22(15-8-6-13(20)7-9-15)11-14-10-16(24)23-17(19(3,4)25)12(2)26-18(23)21-14/h6-10,25H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,16,12,13,2,22,25,21,26,6,4,15,23,5,20,7,10,18,11,24,19,3,9,8,14,17/E:(3,4)(6,7)(8,9)/rA:26CCNCCCCONCCCCOCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;s11;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-SMMOCGCMCMONGA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3908070,CC1(C)CC(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)C1,SMMOCGCMCMONGA,SMMOCGCMCMONGA-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O/c1-18(2)9-17(23)22(12-18)16-11-20-15(10-21-16)7-6-13-4-3-5-14(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,20,4,21,9,23,14,18,11,8,5,2,19,10,22,7,6/E:(1,2)/rA:23CCCCCONCCNCCCCCCCCFCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-SMRBJTWWHGZDHF_on_P41594_WT,High,ChEMBL30,CHEMBL1289575,CC1(c2ccc(Cl)cc2)CCN(C(=O)COCc2ccncc2)CC1,SMRBJTWWHGZDHF,SMRBJTWWHGZDHF-UHFFFAOYSA-N,"InChI=1S/C20H23ClN2O2/c1-20(17-2-4-18(21)5-3-17)8-12-23(13-9-20)19(24)15-25-14-16-6-10-22-11-7-16/h2-7,10-11H,8-9,12-15H2,1H3","""AuxInfo=1/0/N:1,4,9,5,8,19,23,10,25,20,22,11,24,17,15,18,3,6,13,2,7,21,12,14,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCClCCCCNCOCOCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s18d22;s12;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-SMSDGZOOYOAPBR_on_P31644_WT,High,ChEMBL30,CHEMBL3676556,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(F)cc2)no1,SMSDGZOOYOAPBR,SMSDGZOOYOAPBR-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,20,25,8,21,24,7,16,4,13,2,19,9,22,3,6,18,10,23,17,12,26,11,5,27/E:(1,2)(4,5)(7,8)/rA:27CCCCOCCCCCONCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-SMVRQKDHIRRQCD_on_Q14833_WT,Low,ChEMBL30,CHEMBL4160779,COc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC,SMVRQKDHIRRQCD,SMVRQKDHIRRQCD-UHFFFAOYSA-N,"InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,25,5,14,15,4,22,11,20,18,6,12,10,16,3,23,7,13,19,21,9,17,8,2,24/rA:25COCCCCCONCCCClCCCNCNCNCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s16;s17;d18;s19;s17d20;s6;s3d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4136726,PMID:29259756,2017.0,PMID:29259756,2017,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SMXXSFKEFCYSEY_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171707,Cc1nc(C(=O)Nc2ncc(F)cc2)c(Nc2cncnc2)s1,SMXXSFKEFCYSEY,SMXXSFKEFCYSEY-UHFFFAOYSA-N,"InChI=1S/C14H11FN6OS/c1-8-19-12(13(22)21-11-3-2-9(15)4-18-11)14(23-8)20-10-5-16-7-17-6-10/h2-7,20H,1H3,(H,18,21,22)","""AuxInfo=1/1/N:1,13,14,10,18,22,20,2,11,17,8,4,5,15,12,19,21,9,3,16,7,6,23/E:(5,6)(16,17)/rA:23CCNCCONCNCCFCCCNCCNCNCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s11;s8d13;d4;s15;s16;d17;s18;d19;s20;s17d21;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-SMZPBLBOSDOZFR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3904730,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(CF)nc2)c3)cc1,SMZPBLBOSDOZFR,SMZPBLBOSDOZFR-UHFFFAOYSA-N,"InChI=1S/C26H24FN3O2/c1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31)","""AuxInfo=1/1/N:20,1,23,5,31,17,24,4,32,16,21,30,8,26,29,19,22,6,18,25,3,15,7,14,9,10,27,11,28,13,12,2/E:(4,5)(8,9)/rA:32COCCCCCCCCNONCCCCCCCCCCCCCFNCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s26;s25;s22d28;s14d18;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100;  8.000,8.05,0.05,0.05,2.0,8.05,0.05
-SNBBNIBMHQGUBE_on_P14867_WT,Medium,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9767648,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-SNBBNIBMHQGUBE_on_P18507_WT,Low,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL683045;CHEMBL681480;CHEMBL678329;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.320;  7.220;  6.750;  8.590;  7.080;  6.750;  7.080;  7.220;  8.590;  7.320,7.392,0.629,0.21,10.0,7.22,0.14
-SNBBNIBMHQGUBE_on_P28472_WT,Low,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL683045;CHEMBL678329;CHEMBL683047;CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  8.590;  7.320;  7.220;  6.750;  7.080;  6.750;  8.590;  7.320;  7.220;  7.080,7.392,0.629,0.21,10.0,7.22,0.14
-SNBBNIBMHQGUBE_on_P31644_WT,Medium,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9767648,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-SNBBNIBMHQGUBE_on_P34903_WT,Low,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-SNBBNIBMHQGUBE_on_P47869_WT,Low,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.220;  7.220,7.22,0.0,0.0,2.0,7.22,0.0
-SNBBNIBMHQGUBE_on_Q16445_WT,Low,ChEMBL30,CHEMBL130416,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,SNBBNIBMHQGUBE,SNBBNIBMHQGUBE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,17,16,9,19,10,20,25,27,18,14,15,8,6,7,12,4,28,11,26,13,5,3,21/E:(2,3,4)/rA:28CCOCOCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;t19;s20;s21;s21;s21;s14d18;s7s15;s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.750;  6.750,6.75,0.0,0.0,2.0,6.75,0.0
-SNDLXDNVZFYFQU_on_O00222_WT,Medium,ChEMBL30,CHEMBL95868,CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,SNDLXDNVZFYFQU,SNDLXDNVZFYFQU-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,2,3,17,25,18,26,4,16,24,19,27,13,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(4,5)(6,7)(9,10)(11,12)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-SNDLXDNVZFYFQU_on_P41594_WT,Low,ChEMBL30,CHEMBL95868,CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,SNDLXDNVZFYFQU,SNDLXDNVZFYFQU-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,2,3,17,25,18,26,4,16,24,19,27,13,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(4,5)(6,7)(9,10)(11,12)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SNDLXDNVZFYFQU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL95868,CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,SNDLXDNVZFYFQU,SNDLXDNVZFYFQU-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,2,3,17,25,18,26,4,16,24,19,27,13,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(4,5)(6,7)(9,10)(11,12)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.240,4.24,0.0,0.0,1.0,4.24,0.0
-SNDLXDNVZFYFQU_on_Q14831_WT,Medium,ChEMBL30,CHEMBL95868,CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,SNDLXDNVZFYFQU,SNDLXDNVZFYFQU-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,2,3,17,25,18,26,4,16,24,19,27,13,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(4,5)(6,7)(9,10)(11,12)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-SNDLXDNVZFYFQU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL95868,CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,SNDLXDNVZFYFQU,SNDLXDNVZFYFQU-UHFFFAOYSA-N,"InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)","""AuxInfo=1/1/N:1,2,3,17,25,18,26,4,16,24,19,27,13,15,23,5,14,20,22,6,10,7,28,11,12,8,9,29,30,21/E:(4,5)(6,7)(9,10)(11,12)(14,15)(18,19)(26,27)(28,29)/rA:30CCCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s14d22;s23;d24;s25;s22d26;s11;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SNEWVMXJSABDSK_on_O00591_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_O14764_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P14867_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P18505_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P18507_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P28472_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P31644_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P34903_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P47869_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P47870_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P48169_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_P78334_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_Q16445_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNEWVMXJSABDSK_on_Q99928_WT,Low,ChEMBL30,CHEMBL75306,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1,SNEWVMXJSABDSK,SNEWVMXJSABDSK-UHFFFAOYSA-N,"InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)","""AuxInfo=1/1/N:1,5,25,18,4,26,17,23,7,14,6,19,3,24,13,16,11,9,15,8,20,12,10,21,22,2/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26COCCCCCNCOCOCCNCCCCN+OO-CCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s20;s19;s13s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-SNHMMEQARDQQGD_on_P31644_WT,High,ChEMBL30,CHEMBL3676443,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(C2CCCNC2)no1,SNHMMEQARDQQGD,SNHMMEQARDQQGD-UHFFFAOYSA-N,"InChI=1S/C20H26N4O5S/c1-14-17(19(23-29-14)15-3-2-6-21-11-15)13-28-18-5-4-16(12-22-18)20(25)24-7-9-30(26,27)10-8-24/h4-5,12,15,21H,2-3,6-11,13H2,1H3","""AuxInfo=1/0/N:1,25,24,8,7,26,13,19,14,18,28,20,4,2,23,9,3,6,22,10,27,21,29,12,11,16,17,5,30,15/E:(7,8)(9,10)(26,27)/CRV:30.6/rA:30CCCCOCCCCCONCCSOOCCCNCCCCCNCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;s23;s24;s25;s26;s23s27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-SNHRPGDMXPLCKG_on_O15399_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_O60391_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_Q05586_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_Q12879_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_Q13224_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNHRPGDMXPLCKG_on_Q14957_WT,Low,ChEMBL30,CHEMBL417710,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1,SNHRPGDMXPLCKG,SNHRPGDMXPLCKG-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-8-3-1-7(2-4-8)11-13(19)12-10(18-14(11)20)5-9(16)6-17-12/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:15,20,16,19,10,7,14,17,8,4,13,5,11,2,18,9,6,3,12,1/E:(1,2)(3,4)/rA:20OCNCCNCCClCCOCCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-SNJMEUDNDRSJAS_on_O15399_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_O60391_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_Q05586_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_Q12879_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_Q13224_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNJMEUDNDRSJAS_on_Q14957_WT,Low,ChEMBL30,CHEMBL341013,NCCC12CC3CC(CC(C3)C1)C2,SNJMEUDNDRSJAS,SNJMEUDNDRSJAS-UHFFFAOYSA-N,"InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2","""AuxInfo=1/0/N:3,2,7,9,11,13,5,12,8,6,10,4,1/E:(3,4,5)(6,7,8)(9,10,11)/rA:13NCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SNSMAGVPYWZYSK_on_P41594_WT,Medium,ChEMBL30,CHEMBL187320,c1ccc(-c2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,SNSMAGVPYWZYSK,SNSMAGVPYWZYSK-UHFFFAOYSA-N,InChI=1S/C24H17N5/c1-2-9-18(10-3-1)21-13-4-5-14-22(21)19-11-8-12-20(17-19)29-27-24(26-28-29)23-15-6-7-16-25-23/h1-17H,"""AuxInfo=1/0/N:1,2,29,7,8,24,23,13,3,28,12,14,6,9,25,22,27,4,11,15,5,10,20,19,21,18,26,17,16/E:(2,3)(9,10)/rA:29CCCCCCCCCCCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;s16d19;s11d15;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-SNVZCVVNVLIROS_on_P14867_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-SNVZCVVNVLIROS_on_P18507_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.370;  8.150;  9.350;  7.720,8.397,0.598,0.345,4.0,8.26,0.325
-SNVZCVVNVLIROS_on_P28472_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.350;  8.370;  8.150;  7.720,8.397,0.598,0.345,4.0,8.26,0.325
-SNVZCVVNVLIROS_on_P31644_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-SNVZCVVNVLIROS_on_P34903_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-SNVZCVVNVLIROS_on_P47869_WT,Low,ChEMBL30,CHEMBL366537,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,SNVZCVVNVLIROS,SNVZCVVNVLIROS-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,26,28,25,29,4,3,7,27,24,13,6,22,23,12,21,9,5,19,20,10,2,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-SNZTVJGFDRVAJO_on_P41594_WT,Medium,ChEMBL30,CHEMBL187417,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2-c2ccccc2)c1,SNZTVJGFDRVAJO,SNZTVJGFDRVAJO-UHFFFAOYSA-N,InChI=1S/C24H16FN5/c25-19-14-18(22-11-5-4-10-21(22)17-8-2-1-3-9-17)15-20(16-19)30-28-24(27-29-30)23-12-6-7-13-26-23/h1-16H,"""AuxInfo=1/0/N:27,26,28,21,20,13,12,25,29,22,19,14,11,30,16,3,24,17,2,4,23,18,9,8,1,10,7,15,6,5/E:(2,3)(8,9)/rA:30FCCCNNNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s25;d26;s27;s24d28;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SOAUMAWBZBMEON_on_P41594_WT,High,ChEMBL30,CHEMBL1682835,CN1CCOc2c1ncc(C=Cc1ccccc1)c2,SOAUMAWBZBMEON,SOAUMAWBZBMEON-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,12,11,3,4,19,9,13,10,6,7,8,2,5/E:(3,4)(5,6)/rA:19CNCCOCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;w?11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.160;  6.160,6.16,0.0,0.0,2.0,6.16,0.0
-SOCJQMROXJKCQV_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681886,Clc1ccc(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cc1,SOCJQMROXJKCQV,SOCJQMROXJKCQV-UHFFFAOYSA-N,"InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2","""AuxInfo=1/0/N:15,25,16,24,14,26,17,23,3,29,4,28,20,12,13,2,5,27,9,18,22,8,10,1,19,21,7,6,11/E:(9,10)(11,12)/rA:29ClCCCCNNCCCOCCCCCCCClCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s9;d20;s21;d22;s23;d24;s25;s8s22d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-SOCJQMROXJKCQV_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681886,Clc1ccc(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cc1,SOCJQMROXJKCQV,SOCJQMROXJKCQV-UHFFFAOYSA-N,"InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2","""AuxInfo=1/0/N:15,25,16,24,14,26,17,23,3,29,4,28,20,12,13,2,5,27,9,18,22,8,10,1,19,21,7,6,11/E:(9,10)(11,12)/rA:29ClCCCCNNCCCOCCCCCCCClCNCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s9;d20;s21;d22;s23;d24;s25;s8s22d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SOCRPAQCLKSSLO_on_O15399_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_O60391_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_Q05586_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_Q12879_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_Q13224_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SOCRPAQCLKSSLO_on_Q14957_WT,Low,ChEMBL30,CHEMBL291148,Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2,SOCRPAQCLKSSLO,SOCRPAQCLKSSLO-UHFFFAOYSA-N,"InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCFNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-SODSBJHVKSGOIZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL28259,NC(C(=O)O)C(O)C(O)C(=O)O,SODSBJHVKSGOIZ,SODSBJHVKSGOIZ-UHFFFAOYSA-N,"InChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:2,6,8,3,10,1,7,9,4,5,11,12/E:(9,10)(11,12)/rA:12NCCOOCOCOCOO/rB:s1;s2;d3;s3;s2;s6;s6;s8;s8;d10;s10;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL717930,PMID:10673095,2000.0,PMID:10673095,2000,0,1,0,0,0,,=,  3.590,3.59,0.0,0.0,1.0,3.59,0.0
-SOFHJXSQCMUXKH_on_O15399_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_O60391_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_Q05586_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_Q12879_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_Q13224_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOFHJXSQCMUXKH_on_Q14957_WT,Low,ChEMBL30,CHEMBL168262,c1cnc(N2CCc3c(cccc3)C2)cc1,SOFHJXSQCMUXKH,SOFHJXSQCMUXKH-UHFFFAOYSA-N,"InChI=1S/C14H14N2/c1-2-6-13-11-16(10-8-12(13)5-1)14-7-3-4-9-15-14/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:12,11,16,1,13,10,15,7,2,6,14,8,9,4,3,5/rA:16CCNCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;s4;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-SOLFHEZOCDBPSQ_on_P14867_WT,Low,ChEMBL30,CHEMBL206196,CC(C)(O)c1cc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,SOLFHEZOCDBPSQ,SOLFHEZOCDBPSQ-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,6,20,9,11,19,5,14,13,22,10,7,2,23,21,8,26,4/E:(1,2)/rA:28CCCOCCCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864376,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-SOLFHEZOCDBPSQ_on_P18507_WT,Low,ChEMBL30,CHEMBL206196,CC(C)(O)c1cc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,SOLFHEZOCDBPSQ,SOLFHEZOCDBPSQ-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,6,20,9,11,19,5,14,13,22,10,7,2,23,21,8,26,4/E:(1,2)/rA:28CCCOCCCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864376;CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  8.360;  8.290,8.325,0.035,0.035,2.0,8.325,0.035
-SOLFHEZOCDBPSQ_on_P28472_WT,Low,ChEMBL30,CHEMBL206196,CC(C)(O)c1cc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,SOLFHEZOCDBPSQ,SOLFHEZOCDBPSQ-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,6,20,9,11,19,5,14,13,22,10,7,2,23,21,8,26,4/E:(1,2)/rA:28CCCOCCCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864376;CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  8.360;  8.290,8.325,0.035,0.035,2.0,8.325,0.035
-SOLFHEZOCDBPSQ_on_P34903_WT,Low,ChEMBL30,CHEMBL206196,CC(C)(O)c1cc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,SOLFHEZOCDBPSQ,SOLFHEZOCDBPSQ-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c1-23(2,28)17-9-10-27-21(14-26-22(27)12-17)15-7-8-20(24)19(11-15)18-6-4-3-5-16(18)13-25/h3-12,14,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,6,20,9,11,19,5,14,13,22,10,7,2,23,21,8,26,4/E:(1,2)/rA:28CCCOCCCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-SOLNXGKKSRKZTH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798041,CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1,SOLNXGKKSRKZTH,SOLNXGKKSRKZTH-UHFFFAOYSA-N,"InChI=1S/C20H23FN4O2S/c1-4-10-24(16-8-6-14(21)7-9-16)12-15-11-17(26)25-18(19(27)22-5-2)13(3)28-20(25)23-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,27)","""AuxInfo=1/1/N:1,16,18,2,15,24,27,23,28,3,7,5,17,25,6,22,8,11,12,20,26,14,21,4,10,9,13,19/E:(6,7)(8,9)/rA:28CCCNCCCCONCCONCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d11;s17;s17;s10s19;s6d20;s4;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-SOLNXGKKSRKZTH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798041,CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1,SOLNXGKKSRKZTH,SOLNXGKKSRKZTH-UHFFFAOYSA-N,"InChI=1S/C20H23FN4O2S/c1-4-10-24(16-8-6-14(21)7-9-16)12-15-11-17(26)25-18(19(27)22-5-2)13(3)28-20(25)23-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,27)","""AuxInfo=1/1/N:1,16,18,2,15,24,27,23,28,3,7,5,17,25,6,22,8,11,12,20,26,14,21,4,10,9,13,19/E:(6,7)(8,9)/rA:28CCCNCCCCONCCONCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d11;s17;s17;s10s19;s6d20;s4;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-SONLNLJEFBMKGV_on_P41594_WT,High,ExCAPE-DB;ExCAPE-DB;ChEMBL30;ChEMBL30,72545306;76309855;CHEMBL3349197;CHEMBL3087511,COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2,SONLNLJEFBMKGV,SONLNLJEFBMKGV-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-13-4-3-5-14(10-13)8-9-18(21)11-15-6-7-16(12-18)19(15)17(20)22-2/h3-5,10,15-16,21H,6-7,11-12H2,1-2H3","""AuxInfo=1/0/N:20,1,17,18,16,7,8,14,13,21,22,10,19,15,6,9,3,11,5,4,12,2/E:(6,7)(11,12)(15,16)/rA:22COCONCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;PubChemAID:1054272;CHEMBL3089425;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PubChemAID:1054272;PMID:24125886;PMID:24125886,2014;2014;2013;2013,0;0;1;1,0,0,0,1;1;0;0,,=,  7.332;  7.295;  7.290;  7.330,7.312,0.019,0.011000000000000001,4.0,7.312,0.018000000000000002
-SONPUYUNALZLLZ_on_P41594_WT,Low,ChEMBL30,CHEMBL1630073,O=C(Nc1ccccc1)OCc1cn2ncnc2s1,SONPUYUNALZLLZ,SONPUYUNALZLLZ-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c17-12(15-9-4-2-1-3-5-9)18-7-10-6-16-11(19-10)13-8-14-16/h1-6,8H,7H2,(H,15,17)","""AuxInfo=1/1/N:7,6,8,5,9,13,11,16,4,12,18,2,17,15,3,14,1,10,19/E:(2,3)(4,5)/rA:19OCNCCCCCCOCCCNNCNCS/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;d12;s13;s14;d15;s16;s14d17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-SORFJJLWLIZXPN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,67103662;CHEMBL2365401,CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1,SORFJJLWLIZXPN,SORFJJLWLIZXPN-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-12(2)17-5-4-6-19(25-17)20-21(14-7-8-18-15(10-14)11-24-27-18)28-30-23(20)26-22(29)16-9-13(16)3/h4-8,10-13,16H,9H2,1-3H3,(H,24,27)(H,26,29)","""AuxInfo=1/1/N:1,3,15,29,30,28,20,21,13,27,25,2,14,19,26,12,4,22,6,7,18,10,8,24,5,9,23,17,11,16/E:(1,2)/rA:30CCCCNCCCNCOCCCCSNCCCCCNNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;d24;s22s25;s19d26;d6;s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:733654;CHEMBL2344546,PMID:23374867,2013.0,PubChemAID:733654;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  7.347;  7.350,7.348,0.001,0.001,2.0,7.348,0.001
-SORFJJLWLIZXPN_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2365401;67103662,CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1,SORFJJLWLIZXPN,SORFJJLWLIZXPN-UHFFFAOYSA-N,"InChI=1S/C23H23N5OS/c1-12(2)17-5-4-6-19(25-17)20-21(14-7-8-18-15(10-14)11-24-27-18)28-30-23(20)26-22(29)16-9-13(16)3/h4-8,10-13,16H,9H2,1-3H3,(H,24,27)(H,26,29)","""AuxInfo=1/1/N:1,3,15,29,30,28,20,21,13,27,25,2,14,19,26,12,4,22,6,7,18,10,8,24,5,9,23,17,11,16/E:(1,2)/rA:30CCCCNCCCNCOCCCCSNCCCCCNNCCCCCC/rB:s1;s2;s2;d4;s5;s6;d7;s8;s9;d10;s10;s12;s12s13;s14;s8;s16;s7d17;s18;d19;s20;d21;s22;s23;d24;s22s25;s19d26;d6;s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545;PubChemAID:733653,PMID:23374867,2013.0,PMID:23374867;PubChemAID:733653,2013,1;0,0,0,0,0;1,,=,  5.340;  5.340,5.34,0.0,0.0,2.0,5.34,0.0
-SOSSXRFTYYNKND_on_P41594_WT,Low,ChEMBL30,CHEMBL3911669,O=C(c1ncccc1Cl)N1CCn2nc(COc3ccccc3)cc2C1,SOSSXRFTYYNKND,SOSSXRFTYYNKND-UHFFFAOYSA-N,"InChI=1S/C19H17ClN4O2/c20-17-7-4-8-21-18(17)19(25)23-9-10-24-15(12-23)11-14(22-24)13-26-16-5-2-1-3-6-16/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:21,20,22,6,19,23,7,5,11,12,24,26,16,15,25,18,8,3,2,9,4,14,10,13,1,17/E:(2,3)(5,6)/rA:26OCCNCCCCClNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s13d24;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SOTRPBHTXCSDMF_on_Q14416_WT,High,ChEMBL30,CHEMBL4074421,OC1CCC(Nc2c(Cl)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)CC1,SOTRPBHTXCSDMF,SOTRPBHTXCSDMF-UHFFFAOYSA-N,"InChI=1S/C22H24Cl2N4O/c23-18-12-14(3-8-19(18)25-15-4-6-16(29)7-5-15)17-9-10-28-20(11-13-1-2-13)26-27-22(28)21(17)24/h3,8-10,12-13,15-16,25,29H,1-2,4-7,11H2","""AuxInfo=1/0/N:21,22,26,4,28,3,29,27,25,24,19,10,20,11,5,2,12,8,7,18,13,15,9,14,6,17,16,23,1/E:(1,2)(4,5)(6,7)/rA:29OCCCCNCCClCCCCClCNNCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s12d24;s11;s7d26;s5;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040507;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;1;0,0;0;1,0,,=,  7.480;  7.900;  8.520,7.9670000000000005,0.42700000000000005,0.302,3.0,7.9,0.42
-SOUDJAGEISDWBV_on_O00222_WT,High,ChEMBL30,CHEMBL4091029,NC(CCP(=O)(O)C(O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O,SOUDJAGEISDWBV,SOUDJAGEISDWBV-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493;CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.890;  6.180,6.035,0.145,0.145,2.0,6.035,0.145
-SOUDJAGEISDWBV_on_O15303_WT,High,ChEMBL30,CHEMBL4091029,NC(CCP(=O)(O)C(O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O,SOUDJAGEISDWBV,SOUDJAGEISDWBV-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500;CHEMBL4037496,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.400;  4.600,5.0,0.4,0.4,2.0,5.0,0.4
-SOUDJAGEISDWBV_on_Q14831_WT,Low,ChEMBL30,CHEMBL4091029,NC(CCP(=O)(O)C(O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O,SOUDJAGEISDWBV,SOUDJAGEISDWBV-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SOUDJAGEISDWBV_on_Q14833_WT,High,ChEMBL30,CHEMBL4091029,NC(CCP(=O)(O)C(O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O,SOUDJAGEISDWBV,SOUDJAGEISDWBV-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)","""AuxInfo=1/1/N:11,12,3,4,19,10,13,2,15,20,8,14,1,16,21,22,9,17,18,6,7,5/E:(15,16)(18,19)(20,21)/CRV:14.5/rA:22NCCCPOOCOCCCCFCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;s13;s15;d16;s16;s10d15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498;CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.360;  6.220,6.29,0.07,0.07,2.0,6.29,0.07
-SOULTXIXJUMFDK_on_P41594_WT,Low,ChEMBL30,CHEMBL1784066,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,SOULTXIXJUMFDK,SOULTXIXJUMFDK-UHFFFAOYSA-N,"InChI=1S/C20H17N5O3S/c1-11(2)8-21-18-15-16-17(29-19(15)23-9-22-18)20(26)25(10-24-16)12-3-4-13-14(7-12)28-6-5-27-13/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,19,20,23,24,27,4,10,16,2,18,21,26,7,14,13,6,8,28,5,11,9,15,17,29,22,25,12/rA:29CCCCNCCCNCNSCCNCNCCCCOCCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s24;s21s25;s18d26;s13s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-SOULTXIXJUMFDK_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1784066;54580947,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O,SOULTXIXJUMFDK,SOULTXIXJUMFDK-UHFFFAOYSA-N,"InChI=1S/C20H17N5O3S/c1-11(2)8-21-18-15-16-17(29-19(15)23-9-22-18)20(26)25(10-24-16)12-3-4-13-14(7-12)28-6-5-27-13/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,19,20,23,24,27,4,10,16,2,18,21,26,7,14,13,6,8,28,5,11,9,15,17,29,22,25,12/rA:29CCCCNCCCNCNSCCNCNCCCCOCCOCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s23;s24;s21s25;s18d26;s13s17;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.480;  7.481,7.481,0.0,0.0,2.0,7.481,0.0
-SOVZWPDZKUHDRE_on_P41594_WT,High,ChEMBL30,CHEMBL3758266,N#Cc1nccnc1N1CCN2C(CCC2c2nn(-c3cc(Cl)ccc3)nn2)C1,SOVZWPDZKUHDRE,SOVZWPDZKUHDRE-UHFFFAOYSA-N,"InChI=1S/C19H18ClN9/c20-13-2-1-3-14(10-13)29-25-18(24-26-29)17-5-4-15-12-27(8-9-28(15)17)19-16(11-21)22-6-7-23-19/h1-3,6-7,10,15,17H,4-5,8-9,12H2","""AuxInfo=1/0/N:25,24,26,14,15,5,6,10,11,21,2,29,22,20,13,3,16,17,8,23,1,4,7,28,18,27,9,12,19/rA:29NCCNCCNCNCCNCCCCCNNCCCClCCCNNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;s13;s14;s12s15;s16;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s19;s17d27;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3761228,PMID:26706173,2016.0,PMID:26706173,2016,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-SOYLQKABEIPXGF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3925341,O=C(Nc1nc(C(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1,SOYLQKABEIPXGF,SOYLQKABEIPXGF-UHFFFAOYSA-N,"InChI=1S/C17H11F4N3O3S2/c18-10-4-3-5-11(19)9(10)8-29(26,27)16-13(14(20)21)23-17(28-16)24-15(25)12-6-1-2-7-22-12/h1-7,14H,8H2,(H,23,24,25)","""AuxInfo=1/1/N:26,27,19,18,20,25,28,14,15,16,21,24,6,7,2,10,4,17,22,8,9,29,5,3,1,12,13,23,11/E:(4,5)(10,11)(18,19)(20,21)(26,27)/CRV:29.6/rA:29OCNCNCCFFCSOOCCCFCCCCFSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;d6;s10;d11;d11;s11;s14;d15;s16;s16;d18;s19;s15d20;s21;s4s10;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-SOYRXCGRSSKEAM_on_P14867_WT,Medium,ChEMBL30,CHEMBL461925,Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1cccc2,SOYRXCGRSSKEAM,SOYRXCGRSSKEAM-UHFFFAOYSA-N,"InChI=1S/C15H10ClNOS/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2","""AuxInfo=1/0/N:17,18,16,19,7,12,8,11,6,9,15,14,2,4,3,10,1,5,13/E:(5,6)(7,8)/rA:19NCCCOCCCCClCCSCCCCCC/rB:s1;d2;s3;d4;s4;d6;s7;d8;s9;s9;s6d11;s3;s13;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SOYRXCGRSSKEAM_on_P31644_WT,Medium,ChEMBL30,CHEMBL461925,Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1cccc2,SOYRXCGRSSKEAM,SOYRXCGRSSKEAM-UHFFFAOYSA-N,"InChI=1S/C15H10ClNOS/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2","""AuxInfo=1/0/N:17,18,16,19,7,12,8,11,6,9,15,14,2,4,3,10,1,5,13/E:(5,6)(7,8)/rA:19NCCCOCCCCClCCSCCCCCC/rB:s1;d2;s3;d4;s4;d6;s7;d8;s9;s9;s6d11;s3;s13;s2d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SOZYFGBGAZBIQO_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830701;53387561,c1ccc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cc1,SOZYFGBGAZBIQO,SOZYFGBGAZBIQO-UHFFFAOYSA-N,"InChI=1S/C14H12N4S/c1-2-4-9(5-3-1)16-14-17-13-10-8-15-18-11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H,15,18)(H,16,17)","""AuxInfo=1/1/N:1,2,19,3,18,11,10,15,4,16,12,9,8,6,14,5,7,13,17/E:(2,3)(4,5)/rA:19CCCCNCNCCCCCNNCCSCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;s8s12d15;s6s9;s4;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  5.660;  5.658,5.659,0.001,0.001,2.0,5.659,0.001
-SPANKRVWSHQPRS_on_Q14416_WT,High,ChEMBL30,CHEMBL593300,Cn1c(CN2CCN(c3ccccc3)CC2)nc2c1cccc2,SPANKRVWSHQPRS,SPANKRVWSHQPRS-UHFFFAOYSA-N,"InChI=1S/C19H22N4/c1-21-18-10-6-5-9-17(18)20-19(21)15-22-11-13-23(14-12-22)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3","""AuxInfo=1/0/N:1,12,11,13,22,21,10,14,23,20,6,16,7,15,4,9,18,19,3,17,2,5,8/E:(3,4)(7,8)(11,12)(13,14)/rA:23CNCCNCCNCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;d3;s17;s2d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-SPCRQCDPMDWYSK_on_P41594_WT,High,ChEMBL30,CHEMBL3601910,C=CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,SPCRQCDPMDWYSK,SPCRQCDPMDWYSK-UHFFFAOYSA-N,"InChI=1S/C19H18ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h3,5-11,16H,1,4H2,2H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,21,20,10,11,14,27,25,22,13,19,15,4,17,6,8,16,9,24,26,18,5,7,12/rA:27CCCCNCOCNCCSCCCClCNCCCCCNCNC/rB:d1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-SPIIEWMQSJAYAN_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684114,COc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1,SPIIEWMQSJAYAN,SPIIEWMQSJAYAN-UHFFFAOYSA-N,"InChI=1S/C18H15NO2/c1-21-16-4-2-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-18(17)20/h2-4,7-8,11-12H,9-10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,20,19,21,6,7,9,10,16,15,18,4,5,8,17,3,11,12,14,13,2/rA:21COCCCCCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s11s16;s8d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-SPJBUJAONVMOSK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3910105,CC(C)N1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C,SPJBUJAONVMOSK,SPJBUJAONVMOSK-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O/c1-14(2)25-19(26)24(13-20(25,3)4)18-22-11-16(12-23-18)9-8-15-6-5-7-17(21)10-15/h5-7,10-12,14H,13H2,1-4H3","""AuxInfo=1/0/N:1,3,25,26,16,15,17,13,12,20,10,21,23,2,14,11,18,8,5,24,19,9,22,7,4,6/E:(1,2)(3,4)(11,12)(22,23)/rA:26CCCNCONCNCCCCCCCCCFCCNCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s7;s4s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-SPMCKXBBTCMYNZ_on_Q14416_WT,High,ChEMBL30,CHEMBL1095703,CCCCC1CN(c2ccccc2)C(=O)O1,SPMCKXBBTCMYNZ,SPMCKXBBTCMYNZ-UHFFFAOYSA-N,"InChI=1S/C13H17NO2/c1-2-3-9-12-10-14(13(15)16-12)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3","""AuxInfo=1/0/N:1,2,3,11,10,12,9,13,4,6,8,5,14,7,15,16/E:(5,6)(7,8)/rA:16CCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s7;d14;s5s14;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-SPMJVLCJVJYAIN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2179328;71450118,CCc1cnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,SPMJVLCJVJYAIN,SPMJVLCJVJYAIN-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-2-18-15-23-21-19(14-22)20(10-13-25(18)21)24-11-8-17(9-12-24)16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,13,21,23,12,22,24,8,4,15,14,3,7,10,6,9,5,11,25/E:(4,5)(6,7)(8,9)(11,12)/rA:25CCCCNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;t8;d7;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;d23;s3s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482;PubChemAID:711294,PMID:23072213,2012.0,PMID:23072213;PubChemAID:711294,2012;2013,0,1;0,0,0,0;1,,=,  6.300;  6.300,6.3,0.0,0.0,2.0,6.3,0.0
-SPUDBCPXWITYDE_on_P18507_WT,Low,ChEMBL30,CHEMBL569010,C#Cc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)OCC)ncn-21,SPUDBCPXWITYDE,SPUDBCPXWITYDE-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,11,23,3,7,6,15,16,9,17,10,22,12,24,13,18,19/rA:24CCCCCCCCCNCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-SPUDBCPXWITYDE_on_P28472_WT,Low,ChEMBL30,CHEMBL569010,C#Cc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)OCC)ncn-21,SPUDBCPXWITYDE,SPUDBCPXWITYDE-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,11,23,3,7,6,15,16,9,17,10,22,12,24,13,18,19/rA:24CCCCCCCCCNCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-SPUDBCPXWITYDE_on_P31644_WT,Low,ChEMBL30,CHEMBL569010,C#Cc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)OCC)ncn-21,SPUDBCPXWITYDE,SPUDBCPXWITYDE-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,11,23,3,7,6,15,16,9,17,10,22,12,24,13,18,19/rA:24CCCCCCCCCNCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-SPWZXWDPAWDKQE_on_O00591_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_O14764_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P14867_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P18505_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P18507_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P28472_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P31644_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P34903_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P47869_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P47870_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P48169_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_P78334_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_Q16445_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPWZXWDPAWDKQE_on_Q99928_WT,Low,ChEMBL30,CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,SPWZXWDPAWDKQE,SPWZXWDPAWDKQE-UHFFFAOYSA-N,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,26,25,27,16,15,7,24,28,6,8,17,14,12,29,11,30,31,22,2,23,5,9,18,4,13,10,3,20,21,19/E:(3,4)(8,9)(14,15)(16,17)(29,30)/CRV:31.6/rA:31CCONCCCCCNCCNCCCCNSOOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;d19;s19;s22;s23;s24;s25;s26;s23s27;s13;s10s29;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL859045,PMID:16722631,2006.0,PMID:16722631,2006,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SPXQSYJYZYXNHW_on_Q14833_WT,High,ChEMBL30,CHEMBL3797777,Nc1c(C(=O)Nc2cc(Cl)c(N3CC(c4c(F)cccc4Cl)CC3=O)cc2)nccc1,SPXQSYJYZYXNHW,SPXQSYJYZYXNHW-UHFFFAOYSA-N,"InChI=1S/C22H17Cl2FN4O2/c23-14-3-1-4-16(25)20(14)12-9-19(30)29(11-12)18-7-6-13(10-15(18)24)28-22(31)21-17(26)5-2-8-27-21/h1-8,10,12H,9,11,26H2,(H,28,31)","""AuxInfo=1/1/N:19,30,20,18,31,27,26,29,23,8,13,14,7,21,9,16,2,11,24,15,3,4,22,10,17,1,28,6,12,25,5/rA:31NCCCONCCCClCNCCCCFCCCCClCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;s16;d18;s19;s15d20;s21;s14;s12s23;d24;s11;s7d26;s3;d28;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  8.730;  5.730,7.23,1.5,1.5,2.0,7.23,1.5
-SPZWQXRRNLTPRA_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL189516;11951271,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCOc1ccc(-c2n[nH]nn2)cc1,SPZWQXRRNLTPRA,SPZWQXRRNLTPRA-UHFFFAOYSA-N,"InChI=1S/C26H33N5O2/c1-5-7-22-21-14-15-31(18-26(2,3)4)23(21)12-13-24(22)33-17-6-16-32-20-10-8-19(9-11-20)25-27-29-30-28-25/h8-15H,5-7,16-18H2,1-4H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,11,12,13,2,20,3,25,32,24,33,15,16,6,7,21,19,9,26,23,5,4,14,17,27,10,28,31,29,30,8,22,18/E:(2,3,4)(8,9)(10,11)(27,28)(29,30)/rA:33CCCCCCCNCCCCCCCCCOCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  5.450;  5.451,5.45,0.0,0.0,2.0,5.45,0.0
-SQALNDKGODGXJT_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799878,Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,SQALNDKGODGXJT,SQALNDKGODGXJT-UHFFFAOYSA-N,"InChI=1S/C16H11ClF3N5OS/c1-7-14(10-2-8(10)5-21)25-13(26)3-9(22-15(25)27-7)6-24-12(17)4-11(23-24)16(18,19)20/h3-4,8,10H,2,6H2,1H3","""AuxInfo=1/0/N:1,5,12,22,7,14,2,6,13,4,17,23,10,3,26,18,24,19,20,21,8,25,16,15,9,11,27/E:(18,19,20)/rA:27CCCCCCCNNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s6;t7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160;CHEMBL3801515,PMID:26919761,2016.0,PMID:28105280;PMID:26919761,2017;2016,0,1,0,0,0,,=,  7.520;  7.530,7.525,0.005,0.005,2.0,7.525,0.005
-SQALNDKGODGXJT_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799878,Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,SQALNDKGODGXJT,SQALNDKGODGXJT-UHFFFAOYSA-N,"InChI=1S/C16H11ClF3N5OS/c1-7-14(10-2-8(10)5-21)25-13(26)3-9(22-15(25)27-7)6-24-12(17)4-11(23-24)16(18,19)20/h3-4,8,10H,2,6H2,1H3","""AuxInfo=1/0/N:1,5,12,22,7,14,2,6,13,4,17,23,10,3,26,18,24,19,20,21,8,25,16,15,9,11,27/E:(18,19,20)/rA:27CCCCCCCNNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s6;t7;s3;s9;d10;s10;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s15d22;s23;s13;s9d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515;CHEMBL3871160,PMID:26919761,2016.0,PMID:26919761;PMID:28105280,2016;2017,0,1,0,0,0,,=,  7.530;  7.520,7.525,0.005,0.005,2.0,7.525,0.005
-SQDRYTCIPUCPHK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672444;25101881,CCCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cccc2,SQDRYTCIPUCPHK,SQDRYTCIPUCPHK-UHFFFAOYSA-N,"InChI=1S/C22H22ClN5/c1-3-4-11-28-20-8-6-5-7-19(20)27-22(28)16-12-18(23)21(25-13-16)26-17-10-9-15(2)24-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,17,2,3,27,26,28,25,18,19,4,8,21,14,16,7,13,9,23,24,11,6,10,15,20,12,22,5/rA:28CCCCNCCCCClCNCCNCCCCNCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s7d20;d6;s22;s5d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466;PubChemAID:570020,PMID:24900255,2011.0,PMID:24900255;PubChemAID:570020,2011,1;0,0,0,0,0;1,,=,  6.440;  6.444,6.442,0.002,0.002,2.0,6.442,0.002
-SQFHCJNYGPVTHZ_on_P18507_WT,Low,ChEMBL30,CHEMBL199170,N#Cc1cc(-c2cc(OCc3ccccc3)nnc2)ccc1,SQFHCJNYGPVTHZ,SQFHCJNYGPVTHZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2","""AuxInfo=1/0/N:14,13,15,21,12,16,22,20,4,7,2,19,10,11,3,5,6,8,1,18,17,9/E:(2,3)(5,6)/rA:22NCCCCCCCOCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.220;  7.770,7.495,0.275,0.275,2.0,7.495,0.275
-SQFHCJNYGPVTHZ_on_P28472_WT,Low,ChEMBL30,CHEMBL199170,N#Cc1cc(-c2cc(OCc3ccccc3)nnc2)ccc1,SQFHCJNYGPVTHZ,SQFHCJNYGPVTHZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2","""AuxInfo=1/0/N:14,13,15,21,12,16,22,20,4,7,2,19,10,11,3,5,6,8,1,18,17,9/E:(2,3)(5,6)/rA:22NCCCCCCCOCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.770;  7.220,7.495,0.275,0.275,2.0,7.495,0.275
-SQFHCJNYGPVTHZ_on_P31644_WT,Low,ChEMBL30,CHEMBL199170,N#Cc1cc(-c2cc(OCc3ccccc3)nnc2)ccc1,SQFHCJNYGPVTHZ,SQFHCJNYGPVTHZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2","""AuxInfo=1/0/N:14,13,15,21,12,16,22,20,4,7,2,19,10,11,3,5,6,8,1,18,17,9/E:(2,3)(5,6)/rA:22NCCCCCCCOCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-SQFHCJNYGPVTHZ_on_P34903_WT,Low,ChEMBL30,CHEMBL199170,N#Cc1cc(-c2cc(OCc3ccccc3)nnc2)ccc1,SQFHCJNYGPVTHZ,SQFHCJNYGPVTHZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c19-11-15-7-4-8-16(9-15)17-10-18(21-20-12-17)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2","""AuxInfo=1/0/N:14,13,15,21,12,16,22,20,4,7,2,19,10,11,3,5,6,8,1,18,17,9/E:(2,3)(5,6)/rA:22NCCCCCCCOCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-SQFXBMYLXGOZEU_on_P41594_WT,High,ChEMBL30,CHEMBL2022165,CN1CCC(=O)N=C1NC(=O)Nc1cccc(F)c1,SQFXBMYLXGOZEU,SQFXBMYLXGOZEU-UHFFFAOYSA-N,"InChI=1S/C12H13FN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-4,7H,5-6H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,15,16,14,4,3,19,17,13,5,8,10,18,12,7,9,2,6,11/rA:19CNCCCONCNCONCCCCCFC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194,PMID:22523618,2011.0,PMID:22523618,2011,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-SQKPTEWYIPLZTB_on_P14867_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-SQKPTEWYIPLZTB_on_P18507_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111451;CHEMBL1111449;CHEMBL1111450;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.920;  5.500;  5.970;  6.840,6.058,0.48700000000000004,0.281,4.0,5.945,0.235
-SQKPTEWYIPLZTB_on_P28472_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111451;CHEMBL1111450;CHEMBL1111449;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.920;  5.970;  5.500;  6.840,6.058,0.48700000000000004,0.281,4.0,5.945,0.235
-SQKPTEWYIPLZTB_on_P31644_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-SQKPTEWYIPLZTB_on_P34903_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-SQKPTEWYIPLZTB_on_P47869_WT,Low,ChEMBL30,CHEMBL1080396,Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1,SQKPTEWYIPLZTB,SQKPTEWYIPLZTB-UHFFFAOYSA-N,"InChI=1S/C17H18BrN5/c1-10-14-8-23-15(20-16(21-23)17(2,3)4)12-7-11(18)5-6-13(12)22(14)9-19-10/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:1,9,10,11,17,16,20,4,22,2,18,14,15,3,13,7,8,19,23,12,6,21,5/E:(2,3,4)/rA:23CCCCNNCCCCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s8;s7;s5d12;s13;d14;s15;d16;s17;s18;s14d18;s3s15;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-SQNMRYKNNMMHDM_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,25101880;CHEMBL1672441,CCCn1c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)nc2c1cccc2,SQNMRYKNNMMHDM,SQNMRYKNNMMHDM-UHFFFAOYSA-N,"InChI=1S/C21H18Cl2N4/c1-2-11-27-19-6-4-3-5-18(19)26-21(27)14-12-17(23)20(24-13-14)25-16-9-7-15(22)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,2,26,25,27,24,14,17,13,18,3,7,20,6,15,12,8,22,23,10,5,16,9,19,11,21,4/E:(7,8)(9,10)/rA:27CCCNCCCCClCNCCCCClCCNCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;d5;s21;s4d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:570020;CHEMBL1680466,PMID:24900255,2011.0,PubChemAID:570020;PMID:24900255,2011,0;1,0,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-SQNOKDZFZRJKEY_on_Q14416_WT,High,ChEMBL30,CHEMBL4288731,Cc1cccc(-c2ccc(OCC3Cn4ccc(=O)nc4O3)cc2)c1C,SQNOKDZFZRJKEY,SQNOKDZFZRJKEY-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,26,4,3,5,8,24,9,23,17,16,14,12,2,25,7,10,13,6,18,21,20,15,19,11,22/E:(6,7)(8,9)/rA:26CCCCCCCCCCOCCCNCCCONCOCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s18;s15d20;s13s21;s10;s7d23;s2d6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4266966,PMID:30146095,2018.0,PMID:30146095,2018,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-SQOAMFJWMWCWLP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44408384;CHEMBL380672,Cc1cc(NC(=O)NC2=NC(=O)C(c3ccccc3)N2C)ccc1,SQOAMFJWMWCWLP,SQOAMFJWMWCWLP-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-12-7-6-10-14(11-12)19-18(24)21-17-20-16(23)15(22(17)2)13-8-4-3-5-9-13/h3-11,15H,1-2H3,(H2,19,20,21,23,24)","""AuxInfo=1/1/N:1,21,17,16,18,23,24,15,19,22,3,2,14,4,13,11,9,6,5,10,8,20,12,7/E:(4,5)(8,9)/rA:24CCCCNCONCNCOCCCCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;w?9;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;s9s13;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:261160;CHEMBL860564,PMID:16380255,2006.0,PubChemAID:261160;PMID:16380255,2010;2006,0;1,0,0,0,1;0,,=,  5.854;  5.850,5.852,0.002,0.002,2.0,5.852,0.002
-SQPWTARSPNZNEI_on_O00591_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_O14764_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P14867_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P18505_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P18507_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P28472_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P31644_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P34903_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P47869_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P47870_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P48169_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_P78334_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_Q16445_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQPWTARSPNZNEI_on_Q99928_WT,Low,ChEMBL30,CHEMBL88114,CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1,SQPWTARSPNZNEI,SQPWTARSPNZNEI-UHFFFAOYSA-N,"InChI=1S/C19H26OS2/c1-19(2,3)17-13-21-18(22-14-17)16-10-8-15(9-11-16)7-5-4-6-12-20/h8-11,17-18,20H,4,6,12-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,14,16,13,11,19,10,20,17,6,22,12,9,5,8,2,18,7,21/E:(1,2,3)(8,9)(10,11)(13,14)(21,22)/rA:22CCCCCCSCCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s17;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-SQRKOAHICBTYND_on_Q14833_WT,High,ChEMBL30,CHEMBL571063,N#CC1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,SQRKOAHICBTYND,SQRKOAHICBTYND-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2N2O/c15-10-5-11(16)7-12(6-10)18-14(19)13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4H2,(H,18,19)","""AuxInfo=1/1/N:5,6,4,7,16,13,19,2,3,14,17,12,8,9,15,18,1,11,10/E:(6,7)(10,11)(15,16)/rA:19NCCCCCCCCONCCCClCCClC/rB:t1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-SRAWBNFSMIHBEM_on_P14867_WT,High,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2327952,PMID:15026049,2004.0,PMID:23121096,2013,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-SRAWBNFSMIHBEM_on_P18507_WT,Low,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.300;  8.890,9.095,0.205,0.205,2.0,9.095,0.205
-SRAWBNFSMIHBEM_on_P28472_WT,Low,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.890;  9.300,9.095,0.205,0.205,2.0,9.095,0.205
-SRAWBNFSMIHBEM_on_P31644_WT,Medium,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680331,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SRAWBNFSMIHBEM_on_P34903_WT,High,ExCAPE-DB;ChEMBL30,10221761;CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,PubChemAID:726246;CHEMBL2327956,PMID:15026049,2004.0,PubChemAID:726246;PMID:23121096,2013,0,0,0,0;1,1;0,,=,  9.301;  9.300,9.3,0.0,0.0,2.0,9.3,0.0
-SRAWBNFSMIHBEM_on_P47869_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL45198;10221761,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2327955;PubChemAID:726245,PMID:23121096,2013.0,PMID:23121096;PubChemAID:726245,2013,0,0,0,1;0,0;1,,=,  9.220;  9.222,9.221,0.001,0.001,2.0,9.221,0.001
-SRAWBNFSMIHBEM_on_P48169_WT,High,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL646569,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-SRAWBNFSMIHBEM_on_Q16445_WT,High,ChEMBL30,CHEMBL45198,Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,SRAWBNFSMIHBEM,SRAWBNFSMIHBEM-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,23,22,10,14,18,11,13,19,24,7,21,3,2,17,9,8,6,16,15,5,26,12,20,28,25,27,4/E:(4,5)(7,8)/rA:28CCCSCCCCCCCNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678892,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-SRBCTNONXWSPGY_on_P41594_WT,High,ChEMBL30,CHEMBL3644411,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncc(F)nc1)ccc3,SRBCTNONXWSPGY,SRBCTNONXWSPGY-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c23-19-10-24-17(9-25-19)15-2-1-3-16-14(15)6-7-29-18(16)8-20(26-11-21(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,8-10,12-13H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,28,24,3,7,10,17,21,16,22,15,25,5,2,9,26,23,27,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-SRBCTNONXWSPGY_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644411,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncc(F)nc1)ccc3,SRBCTNONXWSPGY,SRBCTNONXWSPGY-UHFFFAOYSA-N,"InChI=1S/C22H18FN7O/c23-19-10-24-17(9-25-19)15-2-1-3-16-14(15)6-7-29-18(16)8-20(26-11-21(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,8-10,12-13H,4-7,11H2","""AuxInfo=1/0/N:30,29,31,11,12,18,19,14,28,24,3,7,10,17,21,16,22,15,25,5,2,9,26,23,27,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCNCCFNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SRERJMKNAVYTHG_on_P41594_WT,High,ChEMBL30,CHEMBL3600424,CCCC(NC(=O)c1cocn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1,SRERJMKNAVYTHG,SRERJMKNAVYTHG-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5O2/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)","""AuxInfo=1/1/N:1,23,2,3,21,20,14,27,25,9,11,22,13,19,15,4,8,17,6,16,24,26,12,18,5,7,10/rA:27CCCCNCOCCOCNCCCClCNCCCCCNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.630,7.63,0.0,0.0,1.0,7.63,0.0
-SRGKMBLOTCYGBS_on_O00222_WT,Low,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3610759,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRGKMBLOTCYGBS_on_O15303_WT,Low,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3610758,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRGKMBLOTCYGBS_on_P41594_WT,Low,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3610757,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRGKMBLOTCYGBS_on_Q13255_WT,Low,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3610665,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRGKMBLOTCYGBS_on_Q14416_WT,Low,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3610756,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRGKMBLOTCYGBS_on_Q14833_WT,High,ChEMBL30,CHEMBL3609741,O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1,SRGKMBLOTCYGBS,SRGKMBLOTCYGBS-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)","""AuxInfo=1/1/N:18,17,19,13,12,16,5,8,4,10,14,6,2,11,9,15,3,1,7/rA:19OCNCCCOCFCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s10;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.490;  8.490;  8.490;  8.490,8.49,0.0,0.0,4.0,8.49,0.0
-SRJOCJYGOFTFLH_on_O00591_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.300;  6.290,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_O14764_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.300;  6.290,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_P14867_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL678325,PMID:11412984,2001.0,PMID:25038482;PMID:25038482;PMID:11412984,2014;2014;2001,0,0;0;1,0,1;1;0,0,,=,  6.290;  6.300;  3.208,5.266,1.455,1.0290000000000001,3.0,6.29,0.01
-SRJOCJYGOFTFLH_on_P18505_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.290;  6.300,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_P18507_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL679474;CHEMBL3370257;CHEMBL3370259;CHEMBL3370257;CHEMBL3370259;CHEMBL682418;CHEMBL3370250;CHEMBL3370250;CHEMBL678325;CHEMBL682824;CHEMBL681094;CHEMBL682715,PMID:11412984,2001.0,PMID:11412984;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:11412984;PMID:25038482;PMID:25038482;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984,2001;2014;2014;2014;2014;2001;2014;2014;2001;2001;2001;2001,0,1;1;1;1;1;1;0;0;1;1;1;1,0,0;0;0;0;0;0;1;1;0;0;0;0,0,,=,  3.161;  4.620;  4.770;  4.620;  4.770;  3.796;  6.300;  6.290;  3.208;  3.432;  3.523;  3.377,4.322,1.063,0.32,12.0,4.208,0.731
-SRJOCJYGOFTFLH_on_P28472_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678325;CHEMBL682824;CHEMBL682715;CHEMBL682418;CHEMBL681094;CHEMBL679474;CHEMBL3370250;CHEMBL3370250,PMID:11412984,2001.0,PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:11412984;PMID:25038482;PMID:25038482,2001;2001;2001;2001;2001;2001;2014;2014,0,1;1;1;1;1;1;0;0,0,0;0;0;0;0;0;1;1,0,,=,  3.208;  3.432;  3.377;  3.796;  3.523;  3.161;  6.290;  6.300,4.136,1.26,0.47600000000000003,8.0,3.478,0.293
-SRJOCJYGOFTFLH_on_P31644_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679474;CHEMBL3370250;CHEMBL3370250,PMID:11412984,2001.0,PMID:11412984;PMID:25038482;PMID:25038482,2001;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.161;  6.300;  6.290,5.25,1.4769999999999999,1.045,3.0,6.29,0.01
-SRJOCJYGOFTFLH_on_P34903_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL682824;CHEMBL3370259;CHEMBL3370259,PMID:11412984,2001.0,PMID:25038482;PMID:25038482;PMID:11412984;PMID:25038482;PMID:25038482,2014;2014;2001;2014;2014,0,0;0;1;1;1,0,1;1;0;0;0,0,,=,  6.290;  6.300;  3.432;  4.770;  4.770,5.112,1.082,0.541,5.0,4.77,1.338
-SRJOCJYGOFTFLH_on_P47869_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250;CHEMBL682715;CHEMBL3370250;CHEMBL3370257;CHEMBL3370257,PMID:11412984,2001.0,PMID:25038482;PMID:11412984;PMID:25038482;PMID:25038482;PMID:25038482,2014;2001;2014;2014;2014,0,0;1;0;1;1,0,1;0;1;0;0,0,,=,  6.300;  3.377;  6.290;  4.620;  4.620,5.041,1.12,0.56,5.0,4.62,1.2429999999999999
-SRJOCJYGOFTFLH_on_P47870_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL3370259;CHEMBL3370257;CHEMBL3370259;CHEMBL3370257,PMID:25038482,2014.0,PMID:25038482,2014,0,0;0;1;1;1;1,0,1;1;0;0;0;0,0,,=,  6.300;  6.290;  4.770;  4.620;  4.770;  4.620,5.228,0.757,0.33799999999999997,6.0,4.77,0.15
-SRJOCJYGOFTFLH_on_P48169_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL681094,PMID:11412984,2001.0,PMID:25038482;PMID:25038482;PMID:11412984,2014;2014;2001,0,0;0;1,0,1;1;0,0,,=,  6.290;  6.300;  3.523,5.371,1.307,0.924,3.0,6.29,0.01
-SRJOCJYGOFTFLH_on_P78334_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.300;  6.290,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.290;  6.300,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.290;  6.300,6.295,0.005,0.005,2.0,6.295,0.005
-SRJOCJYGOFTFLH_on_Q16445_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418;CHEMBL3370250;CHEMBL3370250,PMID:11412984,2001.0,PMID:11412984;PMID:25038482;PMID:25038482,2001;2014;2014,0,1;0;0,0,0;1;1,0,,=,  3.796;  6.290;  6.300,5.462000000000001,1.178,0.833,3.0,6.29,0.01
-SRJOCJYGOFTFLH_on_Q99928_WT,Low,ChEMBL30,CHEMBL279998,O=C(O)C1CCNCC1,SRJOCJYGOFTFLH,SRJOCJYGOFTFLH-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)","""AuxInfo=1/1/N:5,9,6,8,4,2,7,1,3/E:(1,2)(3,4)(8,9)/rA:9OCOCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  6.300;  6.290,6.295,0.005,0.005,2.0,6.295,0.005
-SRKNVVBVQPCTIB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786584,Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(cccc4)C3=O)cc2)occ1,SRKNVVBVQPCTIB,SRKNVVBVQPCTIB-UHFFFAOYSA-N,"InChI=1S/C20H14Cl2N2O3/c1-11-8-9-27-18(11)19(25)23-14-6-7-15(17(22)16(14)21)24-10-12-4-2-3-5-13(12)20(24)26/h2-9H,10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,18,20,17,24,23,27,26,14,2,15,16,7,12,8,10,3,4,21,9,11,6,13,5,22,25/rA:27CCCCONCCClCClCNCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;s10;d10;s12;s13;s14;d15;s16;d17;s18;s15d19;s13s16;d21;s12;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-SRNBHNOJBBCKMK_on_P41594_WT,Medium,ChEMBL30,CHEMBL360208,c1ccc(COc2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,SRNBHNOJBBCKMK,SRNBHNOJBBCKMK-UHFFFAOYSA-N,"InChI=1S/C25H19N5O/c1-2-9-19(10-3-1)18-31-24-15-5-4-13-22(24)20-11-8-12-21(17-20)30-28-25(27-29-30)23-14-6-7-16-26-23/h1-17H,18H2","""AuxInfo=1/0/N:1,2,31,10,9,26,25,15,3,30,14,16,11,27,8,24,29,5,4,13,17,12,22,7,21,23,20,28,19,18,6/E:(2,3)(9,10)/rA:31CCCCCOCCCCCCCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s18d21;s13d17;s4;s1d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-SRPGAFOTMPKSDP_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830696,Cc1c(-c2c(C)sc(Nc3ncccc3)n2)cn[nH]1,SRPGAFOTMPKSDP,SRPGAFOTMPKSDP-UHFFFAOYSA-N,"InChI=1S/C13H13N5S/c1-8-10(7-15-18-8)12-9(2)19-13(17-12)16-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17)","""AuxInfo=1/1/N:1,6,14,13,15,12,17,2,5,3,10,4,8,11,18,9,16,19,7/rA:19CCCCCCSCNCNCCCCNCNN/rB:s1;d2;s3;d4;s5;s5;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s3;d17;s2s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SRRVIQONNOJEKU_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606061,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,SRRVIQONNOJEKU,SRRVIQONNOJEKU-UHFFFAOYSA-N,"InChI=1S/C31H34N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3/q+2","""AuxInfo=1/0/N:1,34,18,17,19,12,26,11,25,16,20,13,27,10,24,4,31,15,21,3,32,7,35,8,28,6,29,9,23,5,30,2,33,14,22/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/CRV:32+1,33+1/rA:35CN+CCCCCCCCCCCNCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s28;s22d29;s30;d31;s32;s33;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608120;CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.420;  5.140,5.28,0.14,0.14,2.0,5.28,0.14
-SRRVIQONNOJEKU_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606061,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,SRRVIQONNOJEKU,SRRVIQONNOJEKU-UHFFFAOYSA-N,"InChI=1S/C31H34N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3/q+2","""AuxInfo=1/0/N:1,34,18,17,19,12,26,11,25,16,20,13,27,10,24,4,31,15,21,3,32,7,35,8,28,6,29,9,23,5,30,2,33,14,22/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/CRV:32+1,33+1/rA:35CN+CCCCCCCCCCCNCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s28;s22d29;s30;d31;s32;s33;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-SRRVIQONNOJEKU_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606061,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,SRRVIQONNOJEKU,SRRVIQONNOJEKU-UHFFFAOYSA-N,"InChI=1S/C31H34N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3/q+2","""AuxInfo=1/0/N:1,34,18,17,19,12,26,11,25,16,20,13,27,10,24,4,31,15,21,3,32,7,35,8,28,6,29,9,23,5,30,2,33,14,22/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/CRV:32+1,33+1/rA:35CN+CCCCCCCCCCCNCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s28;s22d29;s30;d31;s32;s33;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-SRSBZXPZLJWCJD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71712436;CHEMBL2403661,O=C1NCCc2c1sc(C#Cc1cc(Cl)ccc1)n2,SRSBZXPZLJWCJD,SRSBZXPZLJWCJD-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2OS/c15-10-3-1-2-9(8-10)4-5-12-17-11-6-7-16-14(18)13(11)19-12/h1-3,8H,6-7H2,(H,16,18)","""AuxInfo=1/1/N:17,18,16,11,10,5,4,13,12,14,6,9,7,2,15,3,19,1,8/rA:19OCNCCCCSCCCCCCClCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s6d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  5.602;  5.600,5.601,0.001,0.001,2.0,5.601,0.001
-SRSOXFDMBKXWTF_on_P18507_WT,Low,ChEMBL30,CHEMBL370211,CCOc1nncc(-c2cccc(C#N)c2)c1,SRSOXFDMBKXWTF,SRSOXFDMBKXWTF-UHFFFAOYSA-N,"InChI=1S/C13H11N3O/c1-2-17-13-7-12(9-15-16-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,6,5,3/rA:17CCOCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.140;  7.440,7.29,0.15,0.15,2.0,7.29,0.15
-SRSOXFDMBKXWTF_on_P28472_WT,Low,ChEMBL30,CHEMBL370211,CCOc1nncc(-c2cccc(C#N)c2)c1,SRSOXFDMBKXWTF,SRSOXFDMBKXWTF-UHFFFAOYSA-N,"InChI=1S/C13H11N3O/c1-2-17-13-7-12(9-15-16-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,6,5,3/rA:17CCOCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.440;  7.140,7.29,0.15,0.15,2.0,7.29,0.15
-SRSOXFDMBKXWTF_on_P31644_WT,Low,ChEMBL30,CHEMBL370211,CCOc1nncc(-c2cccc(C#N)c2)c1,SRSOXFDMBKXWTF,SRSOXFDMBKXWTF-UHFFFAOYSA-N,"InChI=1S/C13H11N3O/c1-2-17-13-7-12(9-15-16-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,6,5,3/rA:17CCOCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-SRSOXFDMBKXWTF_on_P34903_WT,Low,ChEMBL30,CHEMBL370211,CCOc1nncc(-c2cccc(C#N)c2)c1,SRSOXFDMBKXWTF,SRSOXFDMBKXWTF-UHFFFAOYSA-N,"InChI=1S/C13H11N3O/c1-2-17-13-7-12(9-15-16-13)11-5-3-4-10(6-11)8-14/h3-7,9H,2H2,1H3","""AuxInfo=1/0/N:1,2,11,12,10,16,17,14,7,13,9,8,4,15,6,5,3/rA:17CCOCNNCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;t14;s9d13;s4d8;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-SRURFJYQBQJYRA_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209665,Cc1ccccc1C=Cc1nc(N)ncc1,SRURFJYQBQJYRA,SRURFJYQBQJYRA-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-10-4-2-3-5-11(10)6-7-12-8-9-15-13(14)16-12/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,4,5,3,6,8,9,16,15,2,7,10,12,13,14,11/rA:16CCCCCCCCCCNCNNCC/rB:s1;d2;s3;d4;s5;s2d6;s7;w?8;s9;d10;s11;s12;d12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SRURFOIYHUOUAQ_on_P41594_WT,High,ChEMBL30,CHEMBL404101,Cc1cn2cccc2c(C#Cc2cncnc2)n1,SRURFOIYHUOUAQ,SRURFOIYHUOUAQ-UHFFFAOYSA-N,"InChI=1S/C14H10N4/c1-11-9-18-6-2-3-14(18)13(17-11)5-4-12-7-15-10-16-8-12/h2-3,6-10H,1H3","""AuxInfo=1/0/N:1,6,7,11,10,5,13,17,3,15,2,12,9,8,14,16,18,4/E:(7,8)(15,16)/rA:18CCCNCCCCCCCCCNCNCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s2d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-SRVHJDODNPSAAA_on_Q05586_WT,Medium,ChEMBL30,CHEMBL116223,Sc1nc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)[nH]1,SRVHJDODNPSAAA,SRVHJDODNPSAAA-UHFFFAOYSA-N,"InChI=1S/C22H23N3S/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)","""AuxInfo=1/1/N:20,19,21,10,18,22,9,7,6,14,23,11,13,24,16,25,17,8,15,5,4,2,26,3,12,1/E:(2,3)(5,6)(10,11)(13,14)/rA:26SCNCCCCCCCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747069;CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.600;  7.800,6.2,1.6,1.6,2.0,6.2,1.6
-SRVYWMPHAPBHFJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894815,CC(C)(C)OC(=O)NCc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,SRVYWMPHAPBHFJ,SRVYWMPHAPBHFJ-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O3/c1-22(2,3)29-21(28)25-12-13-4-9-16-17(14-5-7-15(23)8-6-14)11-19(20(24)27)26-18(16)10-13/h4-11H,12H2,1-3H3,(H2,24,27)(H,25,28)","""AuxInfo=1/1/N:1,3,4,11,16,21,17,20,12,29,22,9,10,15,18,13,14,28,23,24,6,2,19,25,8,27,26,7,5/E:(1,2,3)(5,6)(7,8)/rA:29CCCCOCONCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-SRWWMRVOWRSOIO_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003236;CHEMBL1672237,COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl,SRWWMRVOWRSOIO,SRWWMRVOWRSOIO-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O3/c1-27-19-13-15(23-20(25)14-7-3-2-4-8-14)11-12-18(19)24-21(26)16-9-5-6-10-17(16)22/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,12,11,13,23,24,10,14,22,25,15,16,4,9,5,21,26,17,3,7,19,27,6,18,8,20,2/E:(3,4)(7,8)/rA:27COCCCNCOCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  5.951;  5.950,5.95,0.0,0.0,2.0,5.95,0.0
-SRXXXPYJRYRCQG_on_P41594_WT,Low,ChEMBL30,CHEMBL1951660,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(F)cc2)c1=O,SRXXXPYJRYRCQG,SRXXXPYJRYRCQG-UHFFFAOYSA-N,"InChI=1S/C18H14FN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-SRXXXPYJRYRCQG_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951660;16118681,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(F)cc2)c1=O,SRXXXPYJRYRCQG,SRXXXPYJRYRCQG-UHFFFAOYSA-N,"InChI=1S/C18H14FN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.280;  8.284,8.282,0.002,0.002,2.0,8.282,0.002
-SSFZWHHWBFSYKR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,56660088;CHEMBL1808897;CHEMBL1808897,Cc1c(C2CC(O)CN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1,SSFZWHHWBFSYKR,SSFZWHHWBFSYKR-UHFFFAOYSA-N,"InChI=1S/C21H23ClN2O2/c1-13-8-19(15-6-3-7-16(22)9-15)23-11-18(13)20-10-17(25)12-24(20)21(26)14-4-2-5-14/h3,6-9,11,14,17,20,25H,2,4-5,10,12H2,1H3","""AuxInfo=1/0/N:1,14,24,13,15,25,23,26,20,5,16,8,2,12,19,21,6,3,18,4,10,22,17,9,7,11/E:(4,5)/rA:26CCCCCCOCNCOCCCCCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s6;s4s8;s9;d10;s10;s12;s13;s12s14;s3;d16;s17;s18;d19;s20;s21;d21;s23;s19d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609897;CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PubChemAID:609897;PMID:21757343;PMID:21757343,2012;2011;2011,0;1;0,0,0,0;0;1,1;0;0,,=,  6.495;  6.500;  6.240,6.412000000000001,0.121,0.086,3.0,6.495,0.005
-SSHCLMNCTDQOJT_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155538;CHEMBL1094134,CCCCCCC1CN(c2cc(F)ccc2)C(=O)O1,SSHCLMNCTDQOJT,SSHCLMNCTDQOJT-UHFFFAOYSA-N,"InChI=1S/C15H20FNO2/c1-2-3-4-5-9-14-11-17(15(18)19-14)13-8-6-7-12(16)10-13/h6-8,10,14H,2-5,9,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,15,14,16,6,11,8,12,10,7,17,13,9,18,19/rA:19CCCCCCCCNCCCFCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;d12;s14;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.194;  6.190,6.192,0.002,0.002,2.0,6.192,0.002
-SSHWOKRQORBNKB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3893133,CC1CN(c2ncc(C#Cc3ccc(F)cc3)cn2)C(=O)OC1(C)C,SSHWOKRQORBNKB,SSHWOKRQORBNKB-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O2/c1-13-12-23(18(24)25-19(13,2)3)17-21-10-15(11-22-17)5-4-14-6-8-16(20)9-7-14/h6-11,13H,12H2,1-3H3","""AuxInfo=1/0/N:1,24,25,10,9,12,17,13,16,7,18,3,2,11,8,14,5,20,23,15,6,19,4,21,22/E:(2,3)(6,7)(8,9)(10,11)(21,22)/rA:25CCCNCNCCCCCCCCFCCCNCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s14;s11d16;s8;s5d18;s4;d20;s20;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-SSIRFNFODSJSNY_on_P31644_WT,High,ChEMBL30,CHEMBL3676447,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(C2CNCC(F)C2)no1,SSIRFNFODSJSNY,SSIRFNFODSJSNY-UHFFFAOYSA-N,"InChI=1S/C20H25FN4O5S/c1-13-17(19(24-30-13)15-8-16(21)11-22-9-15)12-29-18-3-2-14(10-23-18)20(26)25-4-6-31(27,28)7-5-25/h2-3,10,15-16,22H,4-9,11-12H2,1H3","""AuxInfo=1/0/N:1,8,7,13,19,14,18,29,24,20,26,4,2,9,23,27,3,6,22,10,28,25,21,30,12,11,16,17,5,31,15/E:(4,5)(6,7)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCNCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;s23;s24;s25;s26;s27;s23s27;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-SSJXJXJUHUAOQL_on_P14867_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-SSJXJXJUHUAOQL_on_P18507_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.160;  8.120;  7.540;  8.350,8.293,0.581,0.336,4.0,8.235,0.405
-SSJXJXJUHUAOQL_on_P28472_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.350;  9.160;  7.540;  8.120,8.293,0.581,0.336,4.0,8.235,0.405
-SSJXJXJUHUAOQL_on_P31644_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.160,9.16,0.0,0.0,1.0,9.16,0.0
-SSJXJXJUHUAOQL_on_P34903_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-SSJXJXJUHUAOQL_on_P47869_WT,Low,ChEMBL30,CHEMBL178783,c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1,SSJXJXJUHUAOQL,SSJXJXJUHUAOQL-UHFFFAOYSA-N,"InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2","""AuxInfo=1/0/N:1,2,33,20,21,19,3,32,22,28,30,27,31,17,16,13,18,29,26,4,23,14,9,10,5,8,11,15,6,7,24,25,12/E:(2,3)(7,8)(10,11)(12,13)/rA:33CCCCCNNCCCCOCCNCCCCCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s21;s14s18d22;d11;s5s8s24;s10;s26;s27;s9s28;s29;s26s30;s4;s1d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-SSLKSUNHZPSNNP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3955656,Clc1cccc(CNc2c3ncccc3n[nH]2)c1,SSLKSUNHZPSNNP,SSLKSUNHZPSNNP-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-16-13-12-11(17-18-13)5-2-6-15-12/h1-7H,8H2,(H2,16,17,18)","""AuxInfo=1/1/N:4,13,5,3,14,12,18,7,6,2,15,10,9,1,11,8,16,17/rA:18ClCCCCCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-SSRKNFYHFNHSFG_on_Q13255_WT,Low,ChEMBL30,CHEMBL576043,CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1,SSRKNFYHFNHSFG,SSRKNFYHFNHSFG-UHFFFAOYSA-N,"InChI=1S/C17H12F3N3O2S/c1-23(16-22-14(10-26-16)11-6-8-21-9-7-11)15(24)12-2-4-13(5-3-12)25-17(18,19)20/h2-10H,1H3","""AuxInfo=1/0/N:1,6,15,7,14,20,24,21,23,25,19,5,8,18,3,16,10,11,12,13,22,17,2,4,9,26/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:26CNCOCCCCOCFFFCCCNCCCCNCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;s10;s10;s8;s5d14;s2;d16;s17;s18;d19;s20;d21;s22;s19d23;d18;s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SSRPLRCCFPBHQD_on_Q05586_WT,Low,ChEMBL30,CHEMBL4288091,c1ccc(CCCCNC2CCc3c(CC2)nccc3)cc1,SSRPLRCCFPBHQD,SSRPLRCCFPBHQD-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-2-7-17(8-3-1)9-4-5-15-21-19-12-11-18-10-6-16-22-20(18)14-13-19/h1-3,6-8,10,16,19,21H,4-5,9,11-15H2","""AuxInfo=1/0/N:1,2,22,6,7,19,3,21,5,20,12,11,16,15,8,18,4,13,10,14,9,17/E:(2,3)(7,8)/rA:22CCCCCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s10s15;s14;d17;s18;s13d19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-SSRPLRCCFPBHQD_on_Q13224_WT,Low,ChEMBL30,CHEMBL4288091,c1ccc(CCCCNC2CCc3c(CC2)nccc3)cc1,SSRPLRCCFPBHQD,SSRPLRCCFPBHQD-UHFFFAOYSA-N,"InChI=1S/C20H26N2/c1-2-7-17(8-3-1)9-4-5-15-21-19-12-11-18-10-6-16-22-20(18)14-13-19/h1-3,6-8,10,16,19,21H,4-5,9,11-15H2","""AuxInfo=1/0/N:1,2,22,6,7,19,3,21,5,20,12,11,16,15,8,18,4,13,10,14,9,17/E:(2,3)(7,8)/rA:22CCCCCCCCNCCCCCCCNCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s10s15;s14;d17;s18;s13d19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-SSSIEHWNKPXIHQ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11535796;CHEMBL202331,Cc1nc(C#Cc2cccs2)cs1,SSSIEHWNKPXIHQ,SSSIEHWNKPXIHQ-UHFFFAOYSA-N,"InChI=1S/C10H7NS2/c1-8-11-9(7-13-8)4-5-10-3-2-6-12-10/h2-3,6-7H,1H3","""AuxInfo=1/0/N:1,9,8,5,6,10,12,2,4,7,3,11,13/rA:13CCNCCCCCCCSCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s7s10;d4;s2s12;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.323;  6.320,6.322,0.002,0.002,2.0,6.322,0.002
-SSSNPJKQBYVHBV_on_O00222_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4310449,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_O15303_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4310447,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_P41594_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4310446,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_Q13255_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL4310443,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_Q14416_WT,High,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4310442,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-SSSNPJKQBYVHBV_on_Q14831_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4310448,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_Q14832_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4310444,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSNPJKQBYVHBV_on_Q14833_WT,Low,ChEMBL30,CHEMBL4168094,Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1,SSSNPJKQBYVHBV,SSSNPJKQBYVHBV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","""AuxInfo=1/1/N:1,18,23,19,22,4,3,15,9,6,17,20,5,16,11,8,12,21,13,10,24,2,14,7/E:(2,3)(4,5)/rA:24CNCCCCOCCNCCNOCCCCCCFCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d12;s11;s8d15;s16;d17;s18;d19;s20;s20;s17d22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4310445,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-SSSRWURHRSXSDC_on_P18507_WT,Low,ChEMBL30,CHEMBL1078986,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,SSSRWURHRSXSDC,SSSRWURHRSXSDC-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-20-13(16-6-18-20)9-3-8(4-15)1-2-10(9)19(11)7-17-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,18,10,3,5,6,14,12,20,13,1,19,11,17,9,16/rA:20NCCCCCCCNCNCClCCNNCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-SSSRWURHRSXSDC_on_P28472_WT,Low,ChEMBL30,CHEMBL1078986,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,SSSRWURHRSXSDC,SSSRWURHRSXSDC-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-20-13(16-6-18-20)9-3-8(4-15)1-2-10(9)19(11)7-17-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,18,10,3,5,6,14,12,20,13,1,19,11,17,9,16/rA:20NCCCCCCCNCNCClCCNNCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-SSSRWURHRSXSDC_on_P31644_WT,Low,ChEMBL30,CHEMBL1078986,N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21,SSSRWURHRSXSDC,SSSRWURHRSXSDC-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-12-11-5-20-13(16-6-18-20)9-3-8(4-15)1-2-10(9)19(11)7-17-12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:8,7,4,2,15,18,10,3,5,6,14,12,20,13,1,19,11,17,9,16/rA:20NCCCCCCCNCNCClCCNNCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;s9d12;s14;s15;s16;d17;s18;s5s16d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-SSUOKTCXFYPRMV_on_Q13255_WT,High,ChEMBL30,CHEMBL572145,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1,SSUOKTCXFYPRMV,SSUOKTCXFYPRMV-UHFFFAOYSA-N,"InChI=1S/C15H10FN3OS/c16-11-6-4-10(5-7-11)14(20)19-15-18-13(9-21-15)12-3-1-2-8-17-12/h1-9H,(H,18,19,20)","""AuxInfo=1/1/N:9,10,8,16,21,17,20,11,13,15,18,7,6,2,4,19,12,5,3,1,14/E:(4,5)(6,7)/rA:21OCNCNCCCCCCNCSCCCCFCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s2;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-SSWMKRVJWBQMQY_on_P31644_WT,High,ChEMBL30,CHEMBL3676448,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(C2CNCC(Cl)C2)no1,SSWMKRVJWBQMQY,SSWMKRVJWBQMQY-UHFFFAOYSA-N,"InChI=1S/C20H25ClN4O5S/c1-13-17(19(24-30-13)15-8-16(21)11-22-9-15)12-29-18-3-2-14(10-23-18)20(26)25-4-6-31(27,28)7-5-25/h2-3,10,15-16,22H,4-9,11-12H2,1H3","""AuxInfo=1/0/N:1,8,7,13,19,14,18,29,24,20,26,4,2,9,23,27,3,6,22,10,28,25,21,30,12,11,16,17,5,31,15/E:(4,5)(6,7)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCNCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;s23;s24;s25;s26;s27;s23s27;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-SSYCWZNSAIARNS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198991,c1cc2c(cc1)c1c(c[n+](CCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SSYCWZNSAIARNS,SSYCWZNSAIARNS-UHFFFAOYSA-P,"InChI=1S/C27H24N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-13,16-19H,1,6-7,14-15H2/p+2","""AuxInfo=1/5/N:13,6,26,1,25,12,14,5,27,2,24,30,20,11,15,29,21,9,17,4,22,7,19,3,23,8,18,31,28,10,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/rA:31CCCCCCCCCN+CCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s10;s7d29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.690;  4.790,4.74,0.05,0.05,2.0,4.74,0.05
-SSYCWZNSAIARNS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198991,c1cc2c(cc1)c1c(c[n+](CCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SSYCWZNSAIARNS,SSYCWZNSAIARNS-UHFFFAOYSA-P,"InChI=1S/C27H24N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-13,16-19H,1,6-7,14-15H2/p+2","""AuxInfo=1/5/N:13,6,26,1,25,12,14,5,27,2,24,30,20,11,15,29,21,9,17,4,22,7,19,3,23,8,18,31,28,10,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/rA:31CCCCCCCCCN+CCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s10;s7d29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.690,4.69,0.0,0.0,1.0,4.69,0.0
-SSYCWZNSAIARNS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198991,c1cc2c(cc1)c1c(c[n+](CCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,SSYCWZNSAIARNS,SSYCWZNSAIARNS-UHFFFAOYSA-P,"InChI=1S/C27H24N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-13,16-19H,1,6-7,14-15H2/p+2","""AuxInfo=1/5/N:13,6,26,1,25,12,14,5,27,2,24,30,20,11,15,29,21,9,17,4,22,7,19,3,23,8,18,31,28,10,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/rA:31CCCCCCCCCN+CCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s10;s7d29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.790,4.79,0.0,0.0,1.0,4.79,0.0
-SSZUHZABDOLUMK_on_O14764_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-SSZUHZABDOLUMK_on_P14867_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-SSZUHZABDOLUMK_on_P18507_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-SSZUHZABDOLUMK_on_P28472_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-SSZUHZABDOLUMK_on_P47870_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-SSZUHZABDOLUMK_on_P48169_WT,Low,ChEMBL30,CHEMBL4073679,Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,SSZUHZABDOLUMK,SSZUHZABDOLUMK-UHFFFAOYSA-N,"InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:1,18,27,14,13,10,9,21,24,20,25,16,29,3,5,2,15,22,23,12,11,8,6,17,26,28,4,7,19/rA:29CCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s17;s20;s15s21;s12s22;s23;s24;s8s11s25;s26;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-STAFRSGTRKNXHF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72551298;CHEMBL2431212,CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1,STAFRSGTRKNXHF,STAFRSGTRKNXHF-UHFFFAOYSA-N,"InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)","""AuxInfo=1/1/N:1,3,12,11,9,8,14,18,15,17,19,2,13,10,7,5,16,20,4,6/E:(1,2)(7,8)(9,10)/rA:20CCCNCOCCCCCCCCCNCCCN/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:773852;CHEMBL2433924,PMID:24050755,2013.0,PubChemAID:773852;PMID:24050755,2014;2013,0,0;1,0,0,1;0,,=,  7.481;  7.480,7.481,0.0,0.0,2.0,7.481,0.0
-STCVFKBRXOEQRF_on_P41594_WT,Low,ChEMBL30,CHEMBL305406,Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1,STCVFKBRXOEQRF,STCVFKBRXOEQRF-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:15,16,14,17,22,13,18,21,23,5,9,7,12,19,2,4,3,20,1,8,10,6,11/E:(1,2)(3,4)(6,7)(8,9)(14,15)(18,19)/rA:23ClCCCCNCNCNOCCCCCCCCClCCC/rB:s1;d2;s3;w?4;s5;s6;d7;s8;s6d9;s4;s11;s12;s13;s14;s15;s16;s12s17;s3;s19;d19;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-STCVFKBRXOEQRF_on_Q13255_WT,Low,ChEMBL30,CHEMBL305406,Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1,STCVFKBRXOEQRF,STCVFKBRXOEQRF-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:15,16,14,17,22,13,18,21,23,5,9,7,12,19,2,4,3,20,1,8,10,6,11/E:(1,2)(3,4)(6,7)(8,9)(14,15)(18,19)/rA:23ClCCCCNCNCNOCCCCCCCCClCCC/rB:s1;d2;s3;w?4;s5;s6;d7;s8;s6d9;s4;s11;s12;s13;s14;s15;s16;s12s17;s3;s19;d19;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-STCVFKBRXOEQRF_on_Q14416_WT,High,ChEMBL30,CHEMBL305406,Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1,STCVFKBRXOEQRF,STCVFKBRXOEQRF-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:15,16,14,17,22,13,18,21,23,5,9,7,12,19,2,4,3,20,1,8,10,6,11/E:(1,2)(3,4)(6,7)(8,9)(14,15)(18,19)/rA:23ClCCCCNCNCNOCCCCCCCCClCCC/rB:s1;d2;s3;w?4;s5;s6;d7;s8;s6d9;s4;s11;s12;s13;s14;s15;s16;s12s17;s3;s19;d19;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3137095,PMID:10893301,2000.0,DOI:10.1039/C3MD00110E,2013,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-STCVFKBRXOEQRF_on_Q14832_WT,Low,ChEMBL30,CHEMBL305406,Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1,STCVFKBRXOEQRF,STCVFKBRXOEQRF-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:15,16,14,17,22,13,18,21,23,5,9,7,12,19,2,4,3,20,1,8,10,6,11/E:(1,2)(3,4)(6,7)(8,9)(14,15)(18,19)/rA:23ClCCCCNCNCNOCCCCCCCCClCCC/rB:s1;d2;s3;w?4;s5;s6;d7;s8;s6d9;s4;s11;s12;s13;s14;s15;s16;s12s17;s3;s19;d19;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-STCVFKBRXOEQRF_on_Q14833_WT,Low,ChEMBL30,CHEMBL305406,Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1,STCVFKBRXOEQRF,STCVFKBRXOEQRF-UHFFFAOYSA-N,"InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:15,16,14,17,22,13,18,21,23,5,9,7,12,19,2,4,3,20,1,8,10,6,11/E:(1,2)(3,4)(6,7)(8,9)(14,15)(18,19)/rA:23ClCCCCNCNCNOCCCCCCCCClCCC/rB:s1;d2;s3;w?4;s5;s6;d7;s8;s6d9;s4;s11;s12;s13;s14;s15;s16;s12s17;s3;s19;d19;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-STCYQGMPJYRSFX_on_P41594_WT,High,ChEMBL30,CHEMBL271005,Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1,STCYQGMPJYRSFX,STCYQGMPJYRSFX-UHFFFAOYSA-N,"InChI=1S/C23H21F3N4O/c1-16-14-30-15-18(22(31)29-10-8-28(2)9-11-29)13-21(30)20(27-16)7-6-17-4-3-5-19(12-17)23(24,25)26/h3-5,12-15H,8-11H2,1-2H3","""AuxInfo=1/0/N:1,13,29,30,28,20,19,11,14,10,15,22,16,3,5,2,21,6,23,18,17,7,24,25,26,27,31,12,9,4,8/E:(8,9)(10,11)(24,25,26)/rA:31CCCNCCCONCCNCCCCCCCCCCCCFFFCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s14;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s24;s24;s24;d23;s28;s21d29;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-STDHINPODVHROK_on_P41594_WT,High,ChEMBL30,CHEMBL332397,COc1cc(C#Cc2nc(C)ccc2)ccc1,STDHINPODVHROK,STDHINPODVHROK-UHFFFAOYSA-N,"InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3","""AuxInfo=1/0/N:11,1,13,16,12,15,14,17,6,7,4,10,5,8,3,9,2/rA:17COCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;s10;d10;s12;s8d13;d5;s15;s3d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL914082,PMID:17110115,2007.0,PMID:17110115,2007,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-STECEBJXYKEXJS_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3974630,CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1,STECEBJXYKEXJS,STECEBJXYKEXJS-UHFFFAOYSA-N,"InChI=1S/C17H16N4O3S/c1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16/h3-12H,2H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,2,18,19,17,4,25,5,24,20,22,11,3,12,6,16,14,21,23,13,10,15,8,9,7/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25CCCCCCSOONCCNCOCCCCCNCNCC/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s10d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-STGQCZPVHDLHAH_on_P18507_WT,Low,ChEMBL30,CHEMBL377533,Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F,STGQCZPVHDLHAH,STGQCZPVHDLHAH-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,27,16,28,14,26,17,29,22,7,4,13,25,18,30,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCClNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-STGQCZPVHDLHAH_on_P28472_WT,Low,ChEMBL30,CHEMBL377533,Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F,STGQCZPVHDLHAH,STGQCZPVHDLHAH-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,27,16,28,14,26,17,29,22,7,4,13,25,18,30,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCClNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-STGQCZPVHDLHAH_on_P34903_WT,Low,ChEMBL30,CHEMBL377533,Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F,STGQCZPVHDLHAH,STGQCZPVHDLHAH-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(14-7-3-5-9-16(14)23)17-10-25-27-20(30(17)28-21)13-6-2-4-8-15(13)22/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,27,16,28,14,26,17,29,22,7,4,13,25,18,30,23,6,24,12,9,19,31,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCClNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-STKPMHFXZTXLIG_on_P41594_WT,High,ChEMBL30,CHEMBL201727,Cc1nc(C#Cc2cnc(F)cc2)cs1,STKPMHFXZTXLIG,STKPMHFXZTXLIG-UHFFFAOYSA-N,"InChI=1S/C11H7FN2S/c1-8-14-10(7-15-8)4-2-9-3-5-11(12)13-6-9/h3,5-7H,1H3","""AuxInfo=1/0/N:1,6,13,5,12,8,14,2,7,4,10,11,9,3,15/rA:15CCNCCCCCNCFCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-STMDBOXTMRTNMA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3891360,CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21,STMDBOXTMRTNMA,STMDBOXTMRTNMA-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20/h3-12H,13-15H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,26,9,14,10,13,17,15,19,4,8,11,18,16,21,6,2,12,27,5,28,7,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28CCCCNCOCCCCFCCCCCCCOCCCCCCNN/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;s11;s8d13;s5;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;d18;s2s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-STQRBUUKFGQBAK_on_P41594_WT,High,ChEMBL30,CHEMBL3702454,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,STQRBUUKFGQBAK,STQRBUUKFGQBAK-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-24-19(5-2-9-26-24)16-3-1-4-18-17(16)8-10-30-21(18)11-22(27-12-23(30)31)29-13-20(28-14-29)15-6-7-15/h1-5,9,11,13-15H,6-8,10,12H2","""AuxInfo=1/0/N:30,24,29,31,23,11,12,18,25,19,14,3,13,7,10,21,17,16,22,9,15,5,2,27,28,26,4,8,6,20,1/E:(6,7)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-STQRBUUKFGQBAK_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702454,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3,STQRBUUKFGQBAK,STQRBUUKFGQBAK-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-24-19(5-2-9-26-24)16-3-1-4-18-17(16)8-10-30-21(18)11-22(27-12-23(30)31)29-13-20(28-14-29)15-6-7-15/h1-5,9,11,13-15H,6-8,10,12H2","""AuxInfo=1/0/N:30,24,29,31,23,11,12,18,25,19,14,3,13,7,10,21,17,16,22,9,15,5,2,27,28,26,4,8,6,20,1/E:(6,7)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCNCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-STQWWORVIGBLOE_on_O00591_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_O14764_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P14867_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P18505_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P18507_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P28472_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P31644_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P34903_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P47869_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P47870_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P48169_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_P78334_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_Q16445_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQWWORVIGBLOE_on_Q99928_WT,Low,ChEMBL30,CHEMBL306310,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,STQWWORVIGBLOE,STQWWORVIGBLOE-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,19,18,20,17,5,22,4,23,7,14,6,3,21,13,16,11,9,15,8,12,10,2/E:(6,7)(8,9)/rA:23COCCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s13s16d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-STQXWDBOYPUUFM_on_O15399_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_O60391_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STQXWDBOYPUUFM_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192167,N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2,STQXWDBOYPUUFM,STQXWDBOYPUUFM-UHFFFAOYSA-N,"InChI=1S/C25H31N3/c26-24(28-25-15-19-12-20(16-25)14-21(13-19)17-25)27-23-9-5-4-8-22(23)11-10-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H3,26,27,28)","""AuxInfo=1/1/N:15,14,16,7,6,13,17,8,5,11,10,22,24,26,28,20,27,12,23,21,25,9,4,2,19,1,3,18/E:(2,3)(6,7)(12,13,14)(15,16,17)(19,20,21)/rA:28NCNCCCCCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s2;s18;s19;s20;s21;s22;s23;s24;s21s25;s19s25;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-STUBYIKVLVKLBI_on_Q13255_WT,High,ChEMBL30,CHEMBL2205924,CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(F)cc2)c1=O,STUBYIKVLVKLBI,STUBYIKVLVKLBI-UHFFFAOYSA-N,"InChI=1S/C16H12FN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,8,14,19,16,5,12,11,4,6,23,20,9,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCNSCCNCNCCCCFCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-STUYYHSINKTBAG_on_P41594_WT,High,ChEMBL30,CHEMBL2403673,CCCCN1CCc2c(C1)sc(C#Cc1ccccc1)n2,STUYYHSINKTBAG,STUYYHSINKTBAG-UHFFFAOYSA-N,"InChI=1S/C18H20N2S/c1-2-3-12-20-13-11-16-17(14-20)21-18(19-16)10-9-15-7-5-4-6-8-15/h4-8H,2-3,11-14H2,1H3","""AuxInfo=1/0/N:1,2,3,18,17,19,16,20,14,13,7,4,6,10,15,8,9,12,21,5,11/E:(5,6)(7,8)/rA:21CCCCNCCCCCSCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s9;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-STVUDYCSQHUKDE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580232;CHEMBL2346718,Cc1cc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccn1,STVUDYCSQHUKDE,STVUDYCSQHUKDE-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-11-10-15(8-9-20-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,21,11,14,19,15,18,22,23,3,2,20,13,16,4,8,12,6,17,24,5,9,10,7/E:(4,5)(6,7)/rA:24CCCCNCOCNNCCCCCCFCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s8d12;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.025;  7.030,7.027,0.003,0.003,2.0,7.027,0.002
-STWLDQPTELSTDF_on_Q13224_WT,Medium,ChEMBL30,CHEMBL348360,N=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1,STWLDQPTELSTDF,STWLDQPTELSTDF-UHFFFAOYSA-N,"InChI=1S/C16H12F6N2/c17-15(18,19)12-6-4-11(5-7-12)14(23)24-9-10-2-1-3-13(8-10)16(20,21)22/h1-8H,9H2,(H2,23,24)","""AuxInfo=1/1/N:7,6,8,16,24,17,23,14,4,5,15,18,9,2,19,10,20,21,22,11,12,13,1,3/E:(4,5)(6,7)(17,18,19)(20,21,22)/rA:24NCNCCCCCCCFFFCCCCCCFFFCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s10;s10;s5d9;s2;d15;s16;d17;s18;s19;s19;s19;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749390,PMID:12639561,2003.0,PMID:12639561,2003,0;1,0,0,1;0,0,,=,  6.160;  6.180,6.17,0.01,0.01,2.0,6.17,0.01
-STYTUKPCJDSQIN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3937038,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1,STYTUKPCJDSQIN,STYTUKPCJDSQIN-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O2/c24-17-4-2-16(3-5-17)20-12-22(23(25)29)27-21-11-14(1-6-19(20)21)9-15-7-8-26-18(10-15)13-28/h1-8,10-12,28H,9,13H2,(H2,25,29)","""AuxInfo=1/1/N:16,8,13,9,12,15,20,21,18,26,27,5,24,17,19,7,10,23,14,6,28,4,2,11,1,22,29,25,3/E:(2,3)(4,5)/rA:29NCOCCCCCCCFCCCCCCCCCCNCCOCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;d19;s20;d21;s22;s23;s24;s19d23;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-SUAJAUUXLLZLDU_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784102,Cc1cc(C)c2c(N)c(C(=O)c3c(F)cc(F)cc3)oc2n1,SUAJAUUXLLZLDU,SUAJAUUXLLZLDU-UHFFFAOYSA-N,"InChI=1S/C16H12F2N2O2/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)10-4-3-9(17)6-11(10)18/h3-6H,19H2,1-2H3","""AuxInfo=1/0/N:5,1,18,19,3,15,4,2,16,12,13,6,7,10,9,21,17,14,8,22,11,20/rA:22CCCCCCCNCCOCCFCCFCCOCN/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;d12;s13;s13;d15;s16;s16;s12d18;s9;s6s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-SUBCTDHFKBVAQE_on_P18507_WT,Low,ChEMBL30,CHEMBL1783266,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCCC5)C4=O)nc23)c1,SUBCTDHFKBVAQE,SUBCTDHFKBVAQE-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-29-15-10-11-20(30-2)18(12-15)16-8-5-9-17-22(25)21-19(26-23(16)17)13-27(24(21)28)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,23,24,12,22,25,11,13,4,5,30,19,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(3,4)(6,7)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s24;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-SUBCTDHFKBVAQE_on_P28472_WT,Low,ChEMBL30,CHEMBL1783266,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCCC5)C4=O)nc23)c1,SUBCTDHFKBVAQE,SUBCTDHFKBVAQE-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-29-15-10-11-20(30-2)18(12-15)16-8-5-9-17-22(25)21-19(26-23(16)17)13-27(24(21)28)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,23,24,12,22,25,11,13,4,5,30,19,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(3,4)(6,7)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s24;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-SUBCTDHFKBVAQE_on_P47869_WT,Low,ChEMBL30,CHEMBL1783266,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCCC5)C4=O)nc23)c1,SUBCTDHFKBVAQE,SUBCTDHFKBVAQE-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-29-15-10-11-20(30-2)18(12-15)16-8-5-9-17-22(25)21-19(26-23(16)17)13-27(24(21)28)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H2,25,26)","""AuxInfo=1/1/N:1,8,23,24,12,22,25,11,13,4,5,30,19,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(3,4)(6,7)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s24;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-SUBNOKFHGUEIMG_on_Q14416_WT,High,ChEMBL30,CHEMBL123847,NC(CCc1cc(C(F)(F)F)ccc1)(C(=O)O)C1CC1C(=O)O,SUBNOKFHGUEIMG,SUBNOKFHGUEIMG-UHFFFAOYSA-N,"InChI=1S/C15H16F3NO4/c16-15(17,18)9-3-1-2-8(6-9)4-5-14(19,13(22)23)11-7-10(11)12(20)21/h1-3,6,10-11H,4-5,7,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,4,3,6,19,5,7,20,18,21,15,2,8,9,10,11,1,22,23,16,17/E:(16,17,18)(20,21)(22,23)/rA:23NCCCCCCCFFFCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s5d13;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-SUBNOKFHGUEIMG_on_Q14832_WT,High,ChEMBL30,CHEMBL123847,NC(CCc1cc(C(F)(F)F)ccc1)(C(=O)O)C1CC1C(=O)O,SUBNOKFHGUEIMG,SUBNOKFHGUEIMG-UHFFFAOYSA-N,"InChI=1S/C15H16F3NO4/c16-15(17,18)9-3-1-2-8(6-9)4-5-14(19,13(22)23)11-7-10(11)12(20)21/h1-3,6,10-11H,4-5,7,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,4,3,6,19,5,7,20,18,21,15,2,8,9,10,11,1,22,23,16,17/E:(16,17,18)(20,21)(22,23)/rA:23NCCCCCCCFFFCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;s8;d7;s12;s5d13;s2;d15;s15;s2;s18;s18s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-SUCNRFFYZAMZJS_on_P18507_WT,Low,ChEMBL30,CHEMBL1079344,CCC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SUCNRFFYZAMZJS,SUCNRFFYZAMZJS-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O/c1-2-13(22)14-12-6-21-15(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,16,15,19,7,10,21,17,13,14,6,3,5,12,18,11,22,9,20,8,4/rA:22CCCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-SUCNRFFYZAMZJS_on_P28472_WT,Low,ChEMBL30,CHEMBL1079344,CCC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SUCNRFFYZAMZJS,SUCNRFFYZAMZJS-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O/c1-2-13(22)14-12-6-21-15(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,16,15,19,7,10,21,17,13,14,6,3,5,12,18,11,22,9,20,8,4/rA:22CCCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-SUCNRFFYZAMZJS_on_P31644_WT,Low,ChEMBL30,CHEMBL1079344,CCC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SUCNRFFYZAMZJS,SUCNRFFYZAMZJS-UHFFFAOYSA-N,"InChI=1S/C15H12ClN5O/c1-2-13(22)14-12-6-21-15(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-14/h3-5,7-8H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,16,15,19,7,10,21,17,13,14,6,3,5,12,18,11,22,9,20,8,4/rA:22CCCOCCCNNCNCCCCCCClCNCN/rB:s1;s2;d3;s3;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.590,8.59,0.0,0.0,1.0,8.59,0.0
-SUCUNCCEKWWUHL_on_Q13255_WT,High,ChEMBL30,CHEMBL556070,O=C(C1CC1c1cnc(N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2,SUCUNCCEKWWUHL,SUCUNCCEKWWUHL-UHFFFAOYSA-N,"InChI=1S/C23H30N2O2/c26-22(23-11-15-7-16(12-23)9-17(8-15)13-23)20-10-19(20)18-1-2-21(24-14-18)25-3-5-27-6-4-25/h1-2,14-17,19-20H,3-13H2","""AuxInfo=1/0/N:17,16,11,15,12,14,21,23,25,4,27,19,26,7,22,20,24,6,5,3,9,2,18,8,10,1,13/E:(3,4)(5,6)(7,8,9)(11,12,13)(15,16,17)/rA:27OCCCCCCNCNCCOCCCCCCCCCCCCCC/rB:d1;s2;s3;s3s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s10s14;s9;s6d16;s2;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1063423,PMID:19574055,2009.0,PMID:19574055,2009,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-SUIITPIUKORVAN_on_Q14416_WT,High,ChEMBL30,CHEMBL2206448,COc1c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cccc1F,SUIITPIUKORVAN,SUIITPIUKORVAN-UHFFFAOYSA-N,"InChI=1S/C23H24F4N4O/c1-32-21-16(3-2-4-17(21)24)15-7-10-30(11-8-15)18-9-12-31-19(13-14-5-6-14)28-29-22(31)20(18)23(25,26)27/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3","""AuxInfo=1/0/N:1,29,28,30,21,22,6,27,25,7,26,24,19,20,5,4,31,9,18,10,3,15,11,32,12,13,14,17,16,8,23,2/E:(5,6)(7,8)(10,11)(25,26,27)/rA:32COCCCCCNCCCFFFCNNCCCCCNCCCCCCCCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;d15;s16;d17;s18;s19;s20;s20s21;s15s18;s23;s9d24;s8;s5s26;s4;d28;s29;s3d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-SUJOVYPQNKHIBN_on_Q13255_WT,High,ChEMBL30,CHEMBL2418362,O=C(N1CC2CCC(C2)C1)N1CC2CN(c3ccccn3)CC2C1,SUJOVYPQNKHIBN,SUJOVYPQNKHIBN-UHFFFAOYSA-N,"InChI=1S/C19H26N4O/c24-19(22-8-14-4-5-15(7-14)9-22)23-12-16-10-21(11-17(16)13-23)18-3-1-2-6-20-18/h1-3,6,14-17H,4-5,7-13H2","""AuxInfo=1/0/N:18,19,17,6,7,20,9,4,10,14,22,12,24,5,8,13,23,16,2,21,15,3,11,1/E:(4,5)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:24OCNCCCCCCCNCCCNCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s3s8;s2;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s13s22;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  5.290;  5.290,5.29,0.0,0.0,2.0,5.29,0.0
-SUNBRFIRXOYWAE_on_O15399_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-SUNBRFIRXOYWAE_on_O60391_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-SUNBRFIRXOYWAE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-SUNBRFIRXOYWAE_on_Q05586_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.000;  8.220,8.11,0.11,0.11,2.0,8.11,0.11
-SUNBRFIRXOYWAE_on_Q12879_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-SUNBRFIRXOYWAE_on_Q13224_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.000;  8.220,8.11,0.11,0.11,2.0,8.11,0.11
-SUNBRFIRXOYWAE_on_Q14957_WT,Low,ChEMBL30,CHEMBL126929,O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1,SUNBRFIRXOYWAE,SUNBRFIRXOYWAE-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2","""AuxInfo=1/0/N:22,21,23,20,24,16,25,15,26,18,7,10,4,19,17,8,5,6,3,11,2,13,14,9,12,1/E:(2,3)(4,5)(6,7)(8,9)/rA:26OCCCCCCCOCCONNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s11;s3s6;s2;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-SUNLPMUQEHZMDD_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779854;CHEMBL1779854;54585487,COc1cc(C#Cc2ccc3C(=O)N(C)CCc3n2)ccc1,SUNLPMUQEHZMDD,SUNLPMUQEHZMDD-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-20-11-10-17-16(18(20)21)9-8-14(19-17)7-6-13-4-3-5-15(12-13)22-2/h3-5,8-9,12H,10-11H2,1-2H3","""AuxInfo=1/0/N:15,1,21,20,22,6,7,9,10,17,16,4,5,8,3,11,18,12,19,14,13,2/rA:22COCCCCCCCCCCONCCCCNCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s14;s16;s11s17;s8d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498;PubChemAID:598490,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598490,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  6.530;  5.440;  6.533,6.167999999999999,0.515,0.364,3.0,6.53,0.003
-SUONVKFDJJYYME_on_O00591_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_O14764_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P14867_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P18505_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P18507_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P28472_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P31644_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P34903_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P47869_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P47870_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P48169_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_P78334_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_Q16445_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUONVKFDJJYYME_on_Q99928_WT,Low,ChEMBL30,CHEMBL431597,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2,SUONVKFDJJYYME,SUONVKFDJJYYME-UHFFFAOYSA-N,"InChI=1S/C40H39N7O3/c1-46-17-7-10-30(46)18-27-22-42-35-15-14-31(21-33(27)35)47-25-43-36-20-29(13-16-38(36)47)44-37(19-28-23-41-34-12-6-5-11-32(28)34)39(48)45-40(49)50-24-26-8-3-2-4-9-26/h2-6,8-9,11-16,20-23,25,30,37,41-42,44H,7,10,17-19,24H2,1H3,(H,45,48,49)","""AuxInfo=1/1/N:1,45,44,46,32,31,4,43,47,5,33,30,21,49,50,20,3,7,25,48,13,9,27,41,16,42,8,26,22,6,14,34,12,29,11,18,24,19,35,38,28,10,17,23,37,2,15,36,39,40/E:(3,4)(8,9)/rA:50CNCCCCCCCNCCCCNCNCCCCCNCCCCNCCCCCCCONCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;s15d18;s19;d20;s21;s22;s23;s24;s25;d26;s27;s28;d29;s30;d31;s32;s26s29d33;s24;d35;s35;s37;d38;s38;s40;s41;d42;s43;d44;s45;s42d46;s18d22;s14;s11d49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-SUUOKLVCMLONGL_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152114;46215708,N#Cc1c(-c2cc3c(cc2)n(C2CCOCC2)cc3)ccn2c(CC(F)(F)F)cnc12,SUUOKLVCMLONGL,SUUOKLVCMLONGL-UHFFFAOYSA-N,"InChI=1S/C23H19F3N4O/c24-23(25,26)12-18-14-28-22-20(13-27)19(4-8-30(18)22)15-1-2-21-16(11-15)3-7-29(21)17-5-9-31-10-6-17/h1-4,7-8,11,14,17H,5-6,9-10,12H2","""AuxInfo=1/0/N:10,9,19,20,13,17,18,21,14,16,6,24,2,29,5,7,12,23,4,3,8,31,25,26,27,28,1,30,11,22,15/E:(5,6)(9,10)(24,25,26)/rA:31NCCCCCCCCCNCCCOCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s12s16;s11;s7d18;s4;d20;s21;s22;s23;s24;s25;s25;s25;d23;s29;s3s22d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  6.300;  6.300,6.3,0.0,0.0,2.0,6.3,0.0
-SUUUWZXPEXVKGX_on_O15399_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SUUUWZXPEXVKGX_on_O60391_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SUUUWZXPEXVKGX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SUUUWZXPEXVKGX_on_Q05586_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL828708;CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.510;  7.800,7.655,0.145,0.145,2.0,7.655,0.145
-SUUUWZXPEXVKGX_on_Q12879_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SUUUWZXPEXVKGX_on_Q13224_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800;  7.510,7.655,0.145,0.145,2.0,7.655,0.145
-SUUUWZXPEXVKGX_on_Q14957_WT,Low,ChEMBL30,CHEMBL360373,O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1,SUUUWZXPEXVKGX,SUUUWZXPEXVKGX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)","""AuxInfo=1/1/N:21,20,22,19,23,5,10,6,9,15,24,14,25,17,18,16,4,7,2,11,3,13,8,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNCCCCOCCCONCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-SUVNEFNZAWETBP_on_O15399_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_O60391_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_Q05586_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_Q12879_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_Q13224_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUVNEFNZAWETBP_on_Q14957_WT,Low,ChEMBL30,CHEMBL341050,CCC12CC3CC(N)(C1)CC(CC)(C3)C2,SUVNEFNZAWETBP,SUVNEFNZAWETBP-UHFFFAOYSA-N,"InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3","""AuxInfo=1/0/N:1,13,2,12,4,14,6,15,9,10,5,3,11,7,8/E:(1,2)(3,4)(5,6)(9,10)(12,13)/rA:15CCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s3s7;s7;s10;s11;s12;s5s11;s3s11;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-SUWFNJNGGZUBSG_on_O15399_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_O60391_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_Q05586_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_Q12879_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_Q13224_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUWFNJNGGZUBSG_on_Q14957_WT,Low,ChEMBL30,CHEMBL310729,COc1c(NC(=N)Nc2c(OC)cccc2)cccc1,SUWFNJNGGZUBSG,SUWFNJNGGZUBSG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,12,18,15,19,14,17,16,20,13,4,9,3,10,6,7,5,8,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)/rA:20COCCNCNNCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s10;d13;s14;s9d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-SUYUTNCKIOLMAJ_on_O15303_WT,High,ExCAPE-DB,836002,O=C(Nc1cc(Cl)ccc1)c1ccccn1,SUYUTNCKIOLMAJ,SUYUTNCKIOLMAJ-UHFFFAOYSA-N,"InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)","""AuxInfo=1/1/N:13,14,9,8,10,12,15,5,6,4,11,2,7,16,3,1/rA:16OCNCCCClCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:2191,PubChemAID:2191,2009.0,PubChemAID:2191,2009,0,0,0,0,1,,=,  5.903,5.903,0.0,0.0,1.0,5.903,0.0
-SUYUTNCKIOLMAJ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL556667;836002;CHEMBL556667,O=C(Nc1cc(Cl)ccc1)c1ccccn1,SUYUTNCKIOLMAJ,SUYUTNCKIOLMAJ-UHFFFAOYSA-N,"InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)","""AuxInfo=1/1/N:13,14,9,8,10,12,15,5,6,4,11,2,7,16,3,1/rA:16OCNCCCClCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470;PubChemAID:2180;CHEMBL3610660,PMID:19469556,2009.0,PMID:29958762;PubChemAID:2180;PMID:26231155,2018;2009;2015,0,1;0;1,0,0,0;1;0,,=,  5.960; 12.221;  5.920,8.033999999999999,2.9610000000000003,2.094,3.0,5.96,0.04
-SUZNBZLSOXCXCA_on_P41594_WT,High,ChEMBL30,CHEMBL3702364,CCc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1,SUZNBZLSOXCXCA,SUZNBZLSOXCXCA-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2/c1-3-15-11-14(7-9-22-15)18-12-19-16-5-4-6-20(26-2)17(16)8-10-24(19)21(25)13-23-18/h4-7,9,11-12H,3,8,10,13H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,16,18,24,13,25,12,4,23,8,5,3,15,14,6,22,19,9,26,7,11,10,20/rA:26CCCCCCNCCONCCCCCCCCOCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-SUZNBZLSOXCXCA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702364,CCc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1,SUZNBZLSOXCXCA,SUZNBZLSOXCXCA-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2/c1-3-15-11-14(7-9-22-15)18-12-19-16-5-4-6-20(26-2)17(16)8-10-24(19)21(25)13-23-18/h4-7,9,11-12H,3,8,10,13H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,16,18,24,13,25,12,4,23,8,5,3,15,14,6,22,19,9,26,7,11,10,20/rA:26CCCCCCNCCONCCCCCCCCOCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SVDUTEHSNVPABA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771620;CHEMBL1771619,O=C(C1CCC1)N1CCCC(c2nc(-c3cc(Cl)ccc3)no2)C1,SVDUTEHSNVPABA,SVDUTEHSNVPABA-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c19-15-8-2-6-13(10-15)16-20-17(24-21-16)14-7-3-9-22(11-14)18(23)12-4-1-5-12/h2,6,8,10,12,14H,1,3-5,7,9,11H2","""AuxInfo=1/0/N:5,20,9,4,6,21,10,19,8,16,24,3,15,11,17,14,12,2,18,13,22,7,1,23/E:(4,5)/rA:24OCCCCCNCCCCCNCCCCClCCCNOC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.510;  6.700,6.105,0.595,0.595,2.0,6.105,0.595
-SVFAUFCIEMCAAH_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799438,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12,SVFAUFCIEMCAAH,SVFAUFCIEMCAAH-UHFFFAOYSA-N,"InChI=1S/C16H16F3N5O2S/c1-4-20-14(26)13-9(3)27-15-21-10(6-12(25)24(13)15)7-23-8(2)5-11(22-23)16(17,18)19/h5-6H,4,7H2,1-3H3,(H,20,26)","""AuxInfo=1/1/N:1,23,8,2,21,24,13,22,7,12,16,25,6,4,10,17,18,19,20,3,11,15,14,27,26,5,9/E:(17,18,19)/rA:27CCNCOCCCSCNCCNNCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-SVFAUFCIEMCAAH_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799438,CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12,SVFAUFCIEMCAAH,SVFAUFCIEMCAAH-UHFFFAOYSA-N,"InChI=1S/C16H16F3N5O2S/c1-4-20-14(26)13-9(3)27-15-21-10(6-12(25)24(13)15)7-23-8(2)5-11(22-23)16(17,18)19/h5-6H,4,7H2,1-3H3,(H,20,26)","""AuxInfo=1/1/N:1,23,8,2,21,24,13,22,7,12,16,25,6,4,10,17,18,19,20,3,11,15,14,27,26,5,9/E:(17,18,19)/rA:27CCNCOCCCSCNCCNNCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;s17;s17;s17;s16;s14d21;s22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.310,5.31,0.0,0.0,1.0,5.31,0.0
-SVFQABDCTYOIGR_on_P18505_WT,Low,ChEMBL30,CHEMBL4246158,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)c1ccc(Cl)cc1,SVFQABDCTYOIGR,SVFQABDCTYOIGR-UHFFFAOYSA-N,"InChI=1S/C19H21ClF2O2/c20-15-3-1-14(2-4-15)16(23)19(21,22)17(24)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,16,23H,5-10H2","""AuxInfo=1/0/N:19,24,20,23,6,8,10,12,4,11,7,5,9,18,21,16,2,3,13,22,14,15,17,1/E:(1,2)(3,4)(5,6,7)(8,9,10)(11,12,13)(21,22)/rA:24OCCCCCCCCCCCCFFCOCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SVFQABDCTYOIGR_on_P47870_WT,Low,ChEMBL30,CHEMBL4246158,O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)C(O)c1ccc(Cl)cc1,SVFQABDCTYOIGR,SVFQABDCTYOIGR-UHFFFAOYSA-N,"InChI=1S/C19H21ClF2O2/c20-15-3-1-14(2-4-15)16(23)19(21,22)17(24)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13,16,23H,5-10H2","""AuxInfo=1/0/N:19,24,20,23,6,8,10,12,4,11,7,5,9,18,21,16,2,3,13,22,14,15,17,1/E:(1,2)(3,4)(5,6,7)(8,9,10)(11,12,13)(21,22)/rA:24OCCCCCCCCCCCCFFCOCCCCClCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;s2;s13;s13;s13;s16;s16;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-SVHKPEJITHDSLI_on_P41594_WT,High,ChEMBL30,CHEMBL3644413,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-n1nccn1)ccc3,SVHKPEJITHDSLI,SVHKPEJITHDSLI-UHFFFAOYSA-N,"InChI=1S/C21H19N7O/c29-21-11-22-20(26-12-17(23-13-26)14-4-5-14)10-19-15-2-1-3-18(28-24-7-8-25-28)16(15)6-9-27(19)21/h1-3,7-8,10,12-14H,4-6,9,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,25,19,14,3,13,7,10,16,17,9,21,15,5,2,4,8,23,26,6,20,22,1/E:(4,5)(7,8)(24,25)/rA:29OCCNCNCNCCCCCCCCCCCNCNNCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;d23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-SVHKPEJITHDSLI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644413,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-n1nccn1)ccc3,SVHKPEJITHDSLI,SVHKPEJITHDSLI-UHFFFAOYSA-N,"InChI=1S/C21H19N7O/c29-21-11-22-20(26-12-17(23-13-26)14-4-5-14)10-19-15-2-1-3-18(28-24-7-8-25-28)16(15)6-9-27(19)21/h1-3,7-8,10,12-14H,4-6,9,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,25,19,14,3,13,7,10,16,17,9,21,15,5,2,4,8,23,26,6,20,22,1/E:(4,5)(7,8)(24,25)/rA:29OCCNCNCNCCCCCCCCCCCNCNNCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;d23;s24;s22d25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-SVHVIYUNIUNCIS_on_P31644_WT,High,ChEMBL30,CHEMBL3676509,Cc1c(COc2cc(C(=O)NC3CCOCC3)ccn2)c(-c2ccccc2)no1,SVHVIYUNIUNCIS,SVHVIYUNIUNCIS-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-15-19(21(25-29-15)16-5-3-2-4-6-16)14-28-20-13-17(7-10-23-20)22(26)24-18-8-11-27-12-9-18/h2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,24,26,23,27,18,13,17,19,14,16,7,4,2,22,8,12,3,6,21,9,20,11,28,10,15,5,29/E:(3,4)(5,6)(8,9)(11,12)/rA:29CCCCOCCCCONCCCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;d8;s18;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-SVJYOJMDXZDNFH_on_P41594_WT,High,ChEMBL30,CHEMBL3644430,O=C1CN=C(n2cnc(COC(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,SVJYOJMDXZDNFH,SVJYOJMDXZDNFH-UHFFFAOYSA-N,"InChI=1S/C21H19F3N4O2/c22-21(23,24)30-11-14-10-27(12-26-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-28(18)20(29)9-25-19/h1-3,8,10,12-13H,4-7,9,11H2","""AuxInfo=1/0/N:29,28,30,26,27,21,22,17,3,16,10,7,25,9,24,20,19,18,5,2,12,13,14,15,4,8,6,23,1,11/E:(4,5)(22,23,24)/rA:30OCCNCNCNCCOCFFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s12;s12;s12;s6d9;s5;w?17;s18;d19;s20;s21;s2s18s22;s20;s24;s25;s25s26;d24;s28;s19d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-SVJYOJMDXZDNFH_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644430,O=C1CN=C(n2cnc(COC(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,SVJYOJMDXZDNFH,SVJYOJMDXZDNFH-UHFFFAOYSA-N,"InChI=1S/C21H19F3N4O2/c22-21(23,24)30-11-14-10-27(12-26-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-28(18)20(29)9-25-19/h1-3,8,10,12-13H,4-7,9,11H2","""AuxInfo=1/0/N:29,28,30,26,27,21,22,17,3,16,10,7,25,9,24,20,19,18,5,2,12,13,14,15,4,8,6,23,1,11/E:(4,5)(22,23,24)/rA:30OCCNCNCNCCOCFFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s12;s12;s12;s6d9;s5;w?17;s18;d19;s20;s21;s2s18s22;s20;s24;s25;s25s26;d24;s28;s19d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-SVLJXHFTHQDAFA_on_P18507_WT,Low,ChEMBL30,CHEMBL1078368,N#Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SVLJXHFTHQDAFA,SVLJXHFTHQDAFA-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-8-1-2-11-9(3-8)13-16-6-18-20(13)5-12-10(4-15)17-7-19(11)12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:14,13,17,2,5,8,19,15,11,3,12,4,10,16,1,9,20,7,18,6/rA:20NCCCCNNCNCCCCCCClCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-SVLJXHFTHQDAFA_on_P28472_WT,Low,ChEMBL30,CHEMBL1078368,N#Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SVLJXHFTHQDAFA,SVLJXHFTHQDAFA-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-8-1-2-11-9(3-8)13-16-6-18-20(13)5-12-10(4-15)17-7-19(11)12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:14,13,17,2,5,8,19,15,11,3,12,4,10,16,1,9,20,7,18,6/rA:20NCCCCNNCNCCCCCCClCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-SVLJXHFTHQDAFA_on_P31644_WT,Low,ChEMBL30,CHEMBL1078368,N#Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1,SVLJXHFTHQDAFA,SVLJXHFTHQDAFA-UHFFFAOYSA-N,"InChI=1S/C13H7ClN6/c14-8-1-2-11-9(3-8)13-16-6-18-20(13)5-12-10(4-15)17-7-19(11)12/h1-3,6-7H,5H2","""AuxInfo=1/0/N:14,13,17,2,5,8,19,15,11,3,12,4,10,16,1,9,20,7,18,6/rA:20NCCCCNNCNCCCCCCClCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-SVOFTAUVVZYYNS_on_P18507_WT,Low,ChEMBL30,CHEMBL199169,Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,SVOFTAUVVZYYNS,SVOFTAUVVZYYNS-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2","""AuxInfo=1/0/N:17,16,18,4,15,19,5,3,21,20,8,13,14,6,7,2,11,1,9,10,12/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.200;  6.520,6.86,0.34,0.34,2.0,6.86,0.34
-SVOFTAUVVZYYNS_on_P28472_WT,Low,ChEMBL30,CHEMBL199169,Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,SVOFTAUVVZYYNS,SVOFTAUVVZYYNS-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2","""AuxInfo=1/0/N:17,16,18,4,15,19,5,3,21,20,8,13,14,6,7,2,11,1,9,10,12/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.200;  6.520,6.86,0.34,0.34,2.0,6.86,0.34
-SVOFTAUVVZYYNS_on_P31644_WT,Low,ChEMBL30,CHEMBL199169,Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,SVOFTAUVVZYYNS,SVOFTAUVVZYYNS-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2","""AuxInfo=1/0/N:17,16,18,4,15,19,5,3,21,20,8,13,14,6,7,2,11,1,9,10,12/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-SVOFTAUVVZYYNS_on_P34903_WT,Low,ChEMBL30,CHEMBL199169,Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1,SVOFTAUVVZYYNS,SVOFTAUVVZYYNS-UHFFFAOYSA-N,"InChI=1S/C17H13BrN2O/c18-16-8-4-7-14(9-16)15-10-17(20-19-11-15)21-12-13-5-2-1-3-6-13/h1-11H,12H2","""AuxInfo=1/0/N:17,16,18,4,15,19,5,3,21,20,8,13,14,6,7,2,11,1,9,10,12/E:(2,3)(5,6)/rA:21BrCCCCCCCNNCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-SVZDAICDMQHCIX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628101,CN(C)Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,SVZDAICDMQHCIX,SVZDAICDMQHCIX-UHFFFAOYSA-N,"InChI=1S/C22H18ClN3O4/c1-25(2)12-14-8-10-19(30-14)20(27)24-13-7-9-18(17(23)11-13)26-21(28)15-5-3-4-6-16(15)22(26)29/h3-11H,12H2,1-2H3,(H,24,27)","""AuxInfo=1/1/N:1,3,22,23,21,24,13,6,14,7,29,4,12,5,20,19,27,15,8,9,25,17,28,11,2,16,10,26,18,30/E:(1,2)(3,4)(5,6)(15,16)(21,22)(28,29)/rA:30CNCCCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;s2;s2;s4;d5;s6;d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s16s20;d25;s15;s27;s12d27;s5s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-SVZUWWWSKWCPJK_on_P41594_WT,High,ChEMBL30,CHEMBL404283,Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cscc2)n1,SVZUWWWSKWCPJK,SVZUWWWSKWCPJK-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-15-12-24-13-17(20(25)23-8-6-22(2)7-9-23)11-19(24)18(21-15)4-3-16-5-10-26-14-16/h5,10-14H,6-9H2,1-2H3","""AuxInfo=1/0/N:1,13,20,19,25,11,14,10,15,24,16,3,5,22,2,21,6,18,17,7,26,12,9,4,8,23/E:(6,7)(8,9)/rA:26CCCNCCCONCCNCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s12;s9s14;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-SWDFZDHXQCXDGL_on_P41594_WT,High,ChEMBL30,CHEMBL2208405,CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(C(F)(F)F)ccc1Cl,SWDFZDHXQCXDGL,SWDFZDHXQCXDGL-UHFFFAOYSA-N,"InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,12,13,21,22,15,10,6,11,16,23,14,7,17,24,18,19,20,9,5,8,3,4,2/E:(2,3)(16,17,18)(22,23)/CRV:24.6/rA:24CSOONCCONCCCCCCCCFFFCCCCl/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;s10;s11;s11s12;s5;d14;s15;s16;s17;s17;s17;d16;s21;s14d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2215796,PMID:23142615,2012.0,PMID:23142615,2012,0,1,0,0,0,,=,  5.350,5.35,0.0,0.0,1.0,5.35,0.0
-SWFCJKHDIXMXHI_on_P41594_WT,High,ChEMBL30,CHEMBL1779849,Cc1cc(C#Cc2ccc3C(=O)N(C)CCc3n2)ccc1,SWFCJKHDIXMXHI,SWFCJKHDIXMXHI-UHFFFAOYSA-N,"InChI=1S/C18H16N2O/c1-13-4-3-5-14(12-13)6-7-15-8-9-16-17(19-15)10-11-20(2)18(16)21/h3-5,8-9,12H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,14,20,21,19,5,6,8,9,16,15,3,2,4,7,10,17,11,18,13,12/rA:21CCCCCCCCCCCONCCCCNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s11;s13;s13;s15;s10s16;s7d17;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,1;0,0,0,0;1,0,,=,  8.540;  6.090,7.315,1.225,1.225,2.0,7.315,1.225
-SWFKXMNJMPJPOU_on_Q05586_WT,High,ChEMBL30,CHEMBL248438,CS(=O)(=O)N(CC1CCCO1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12,SWFKXMNJMPJPOU,SWFKXMNJMPJPOU-UHFFFAOYSA-N,"InChI=1S/C14H15Cl2N3O5S/c1-25(22,23)19(6-7-3-2-4-24-7)12-10(16)8(15)5-9-11(12)18-14(21)13(20)17-9/h5,7H,2-4,6H2,1H3,(H,17,20)(H,18,21)","""AuxInfo=1/1/N:1,9,8,10,17,6,7,15,18,13,25,12,20,22,16,14,19,24,5,21,23,3,4,11,2/E:(22,23)/CRV:25.6/rA:25CSOONCCCCCOCCClCClCCNCOCONC/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s7s10;s5;d12;s13;s13;s15;d15;s17;d18;s19;s20;d20;s22;s22;s12s18d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-SWHBBBIQFUCYSU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628087,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccno1,SWHBBBIQFUCYSU,SWHBBBIQFUCYSU-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O4/c19-13-9-10(21-16(23)15-7-8-20-26-15)5-6-14(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,23,24,21,4,12,11,19,7,22,2,17,9,20,25,3,8,1,18,10,26/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCCNO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-SWLVOEWTHNCIDF_on_P18507_WT,Low,ChEMBL30,CHEMBL235187,CCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,SWLVOEWTHNCIDF,SWLVOEWTHNCIDF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-20(19-18-8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,10,16,5,11,4,8,17,7,12,9,18,13,14,15,20,19,6/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-SWLVOEWTHNCIDF_on_P47869_WT,Low,ChEMBL30,CHEMBL235187,CCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,SWLVOEWTHNCIDF,SWLVOEWTHNCIDF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-20(19-18-8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,10,16,5,11,4,8,17,7,12,9,18,13,14,15,20,19,6/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-SWLVOEWTHNCIDF_on_P47870_WT,Low,ChEMBL30,CHEMBL235187,CCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,SWLVOEWTHNCIDF,SWLVOEWTHNCIDF-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3/c1-2-3-8-6-20(19-18-8)11-9(13)4-7(5-10(11)14)12(15,16)17/h4-6H,2-3H2,1H3","""AuxInfo=1/0/N:1,2,3,10,16,5,11,4,8,17,7,12,9,18,13,14,15,20,19,6/E:(4,5)(9,10)(13,14)(15,16,17)/rA:20CCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s12;s12;s11;s7d16;s17;s6;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-SWLXVHJNQLQVLL_on_Q14832_WT,Low,ChEMBL30,CHEMBL164896,O=C(O)CCC(CC(=O)CC(CCC(=O)O)C(=O)O)C(=O)O,SWLXVHJNQLQVLL,SWLXVHJNQLQVLL-UHFFFAOYSA-N,"InChI=1S/C13H18O9/c14-9(5-7(12(19)20)1-3-10(15)16)6-8(13(21)22)2-4-11(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:5,12,4,13,7,10,6,11,8,2,14,20,17,9,1,3,15,16,21,22,18,19/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(15,16,17,18)(19,20,21,22)/gE:(1,2)(3,4)/rA:22OCOCCCCCOCCCCCOOCOOCOO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s14;s11;d17;s17;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL714800,PMID:10715144,2000.0,PMID:10715144,2000,0,1,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-SWPVFHZSTTYORI_on_Q05586_WT,Low,ChEMBL30,CHEMBL1270621,CCCC(=O)NC(CC1CCCCC1)C(=O)NCCCNCCCCNCCCN,SWPVFHZSTTYORI,SWPVFHZSTTYORI-UHFFFAOYSA-N,"InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:1,2,12,11,13,24,23,28,19,3,10,14,29,25,22,27,20,18,8,9,7,4,15,30,26,21,17,6,5,16/E:(4,5)(11,12)/rA:30CCCCONCCCCCCCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-SWPVFHZSTTYORI_on_Q12879_WT,Low,ChEMBL30,CHEMBL1270621,CCCC(=O)NC(CC1CCCCC1)C(=O)NCCCNCCCCNCCCN,SWPVFHZSTTYORI,SWPVFHZSTTYORI-UHFFFAOYSA-N,"InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:1,2,12,11,13,24,23,28,19,3,10,14,29,25,22,27,20,18,8,9,7,4,15,30,26,21,17,6,5,16/E:(4,5)(11,12)/rA:30CCCCONCCCCCCCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-SWPVFHZSTTYORI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1270621,CCCC(=O)NC(CC1CCCCC1)C(=O)NCCCNCCCCNCCCN,SWPVFHZSTTYORI,SWPVFHZSTTYORI-UHFFFAOYSA-N,"InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:1,2,12,11,13,24,23,28,19,3,10,14,29,25,22,27,20,18,8,9,7,4,15,30,26,21,17,6,5,16/E:(4,5)(11,12)/rA:30CCCCONCCCCCCCCCONCCCNCCCCNCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s7;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-SWQIKTNOUZVUAP_on_P18507_WT,Low,ChEMBL30,CHEMBL210631,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1C(F)(F)F,SWQIKTNOUZVUAP,SWQIKTNOUZVUAP-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-6-2-4-8-15(13)22(24,25)26)17-10-28-30-20(33(17)31-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,15,28,16,26,14,29,17,22,7,4,25,13,30,18,23,6,24,12,9,31,19,32,33,34,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCCFFF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-SWQIKTNOUZVUAP_on_P28472_WT,Low,ChEMBL30,CHEMBL210631,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1C(F)(F)F,SWQIKTNOUZVUAP,SWQIKTNOUZVUAP-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-6-2-4-8-15(13)22(24,25)26)17-10-28-30-20(33(17)31-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,15,28,16,26,14,29,17,22,7,4,25,13,30,18,23,6,24,12,9,31,19,32,33,34,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCCFFF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-SWQIKTNOUZVUAP_on_P34903_WT,Low,ChEMBL30,CHEMBL210631,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1C(F)(F)F,SWQIKTNOUZVUAP,SWQIKTNOUZVUAP-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-6-2-4-8-15(13)22(24,25)26)17-10-28-30-20(33(17)31-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,27,15,28,16,26,14,29,17,22,7,4,25,13,30,18,23,6,24,12,9,31,19,32,33,34,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCCFFF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-SWRQYCULPAMFSV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930820,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1,SWRQYCULPAMFSV,SWRQYCULPAMFSV-UHFFFAOYSA-N,"InChI=1S/C24H18F2N4O/c25-17-6-3-14(4-7-17)19-10-20(23(27)31)30-22-18(19)8-5-16(21(22)26)9-13-11-28-24(29-12-13)15-1-2-15/h3-8,10-12,15H,1-2,9H2,(H2,27,31)","""AuxInfo=1/1/N:24,25,8,13,16,9,12,15,18,5,20,27,19,7,23,17,10,14,6,4,28,30,2,22,11,29,1,21,26,31,3/E:(1,2)(3,4)(6,7)(11,12)(28,29)/rA:31NCOCCCCCCCFCCCCCCCCCNCCCCNCCFCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;d19;s20;d21;s22;s23;s23s24;s22;s19d26;d17;s28;s14s28;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-SWSTUEFSLLHHRJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3357578,Cc1c2C(=O)N(c3ccc(NC(=O)c4ncccc4)cc3Br)C(=O)c2ccc1,SWSTUEFSLLHHRJ,SWSTUEFSLLHHRJ-UHFFFAOYSA-N,"InChI=1S/C21H14BrN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)","""AuxInfo=1/1/N:1,18,17,27,28,26,19,9,8,16,20,2,10,25,21,14,7,3,12,23,4,22,15,11,6,13,24,5/rA:28CCCCONCCCCNCOCNCCCCCCBrCOCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s10;s7d20;s21;s6;d23;s3s23;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3385816,PMID:25330258,2014.0,PMID:25330258,2014,1;0,0;1,0,0,0,,=,  7.920;  7.000,7.46,0.46,0.46,2.0,7.46,0.46
-SWTAQIBKNCOQHJ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2112967;11461116,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1N,SWTAQIBKNCOQHJ,SWTAQIBKNCOQHJ-UHFFFAOYSA-N,"InChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:1,17,2,13,19,8,14,18,7,4,20,3,12,9,5,15,6,10,22,23,21,11,16/E:(4,5)(7,8)/rA:23CCCCCCCCCCOCCCCOCCCCNCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  9.000;  9.000,9.0,0.0,0.0,2.0,9.0,0.0
-SWTLXBNFAVZGCX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713022;CHEMBL2403693,O=C(C1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,SWTLXBNFAVZGCX,SWTLXBNFAVZGCX-UHFFFAOYSA-N,"InChI=1S/C20H20N2OS/c23-20(16-8-4-5-9-16)22-13-12-17-18(14-22)24-19(21-17)11-10-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-9,12-14H2","""AuxInfo=1/0/N:21,20,22,5,6,19,23,4,7,17,16,10,9,13,18,3,11,12,15,2,24,8,1,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24OCCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  7.721;  7.720,7.72,0.0,0.0,2.0,7.72,0.001
-SWXBGQYIGJODGL_on_P41594_WT,High,ChEMBL30,CHEMBL2151480,Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(C)c4)no3)C2)cc1,SWXBGQYIGJODGL,SWXBGQYIGJODGL-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3S/c1-13-6-8-17(9-7-13)26(23,24)22-11-16(12-22)19-20-18(21-25-19)15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,20,17,18,16,3,26,4,25,21,10,24,2,19,15,11,5,14,12,13,22,9,7,8,23,6/E:(6,7)(8,9)(11,12)(23,24)/CRV:26.6/rA:26CCCCCSOONCCCNCCCCCCCCNOCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-SWXIPAFGVDTBHX_on_P41594_WT,High,ChEMBL30,CHEMBL3919241,Cn1nc(-c2ccccc2)c2c1nc(-c1ccccc1)c(C#N)c2-c1ccccc1,SWXIPAFGVDTBHX,SWXIPAFGVDTBHX-UHFFFAOYSA-N,"InChI=1S/C26H18N4/c1-30-26-23(25(29-30)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)21(17-27)24(28-26)19-13-7-3-8-14-19/h2-16H,1H3","""AuxInfo=1/0/N:1,28,18,8,27,29,17,19,7,9,26,30,16,20,6,10,22,25,15,5,21,24,11,14,4,12,23,13,3,2/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30CNNCCCCCCCCCNCCCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s14;s21;t22;s11d21;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-SXEVSULQSFBBQR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3957842,Cc1c(-c2cc(C(N)=O)nc3c2cccc3)cnn1-c1ccccc1,SXEVSULQSFBBQR,SXEVSULQSFBBQR-UHFFFAOYSA-N,"InChI=1S/C20H16N4O/c1-13-17(12-22-24(13)14-7-3-2-4-8-14)16-11-19(20(21)25)23-18-10-6-5-9-15(16)18/h2-12H,1H3,(H2,21,25)","""AuxInfo=1/1/N:1,23,22,24,14,15,21,25,13,16,5,17,2,20,12,4,3,11,6,7,8,18,10,19,9/E:(3,4)(7,8)/rA:25CCCCCCCNONCCCCCCCNNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d7;d6;s10;s4d11;s12;d13;s14;s11d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-SXHQNAYNRIKCLU_on_P41594_WT,High,ChEMBL30,CHEMBL3633953,O=C(c1cccc(F)c1)N1CCCn2nc(COc3ccccc3)cc12,SXHQNAYNRIKCLU,SXHQNAYNRIKCLU-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-16-7-4-6-15(12-16)20(25)23-10-5-11-24-19(23)13-17(22-24)14-26-18-8-2-1-3-9-18/h1-4,6-9,12-13H,5,10-11,14H2","""AuxInfo=1/0/N:22,21,23,5,12,4,6,20,24,11,13,9,25,17,3,7,16,19,26,2,8,15,10,14,1,18/E:(2,3)(8,9)/rA:26OCCCCCCFCNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s10s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.230;  6.230,6.23,0.0,0.0,2.0,6.23,0.0
-SXMKKNTZYSBWMK_on_P41594_WT,Low,ChEMBL30,CHEMBL609873,Cc1nc(Nc2ccc(C(=O)N3CCCCC3)cn2)ccc1,SXMKKNTZYSBWMK,SXMKKNTZYSBWMK-UHFFFAOYSA-N,"InChI=1S/C17H20N4O/c1-13-6-5-7-16(19-13)20-15-9-8-14(12-18-15)17(22)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,15,14,16,21,22,20,8,7,13,17,18,2,9,6,4,10,19,3,5,12,11/E:(3,4)(10,11)/rA:22CCNCNCCCCCONCCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SXNMCTHYWIVXTR_on_O00591_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_O14764_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P14867_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P18505_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P18507_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P28472_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P31644_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P34903_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P47869_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P47870_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P48169_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_P78334_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_Q16445_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXNMCTHYWIVXTR_on_Q99928_WT,Low,ChEMBL30,CHEMBL314046,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2,SXNMCTHYWIVXTR,SXNMCTHYWIVXTR-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2S/c1-11-17-16(20-10-22(17)9-12-2-3-12)15-13-4-5-19(23-6-7-24-19)8-14(13)25-18(15)21-11/h10,12H,2-9H2,1H3","""AuxInfo=1/0/N:1,22,23,11,10,13,14,8,20,24,2,21,6,7,5,17,18,4,9,25,3,19,12,15,16/E:(2,3)(6,7)(23,24)/rA:25CCNCCCCCCCCOCCOSCCNCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s21s22;s19;s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-SXOLJLOTQLZXOS_on_P41594_WT,Medium,ChEMBL30,CHEMBL365065,c1cnc(-c2nn(-c3cc(Oc4cnccc4)ccc3)nn2)cc1,SXOLJLOTQLZXOS,SXOLJLOTQLZXOS-UHFFFAOYSA-N,InChI=1S/C17H12N6O/c1-2-10-19-16(8-1)17-20-22-23(21-17)13-5-3-6-14(11-13)24-15-7-4-9-18-12-15/h1-12H,"""AuxInfo=1/0/N:24,1,19,16,20,18,17,23,15,2,9,13,8,10,12,4,5,14,3,22,6,21,7,11/rA:24CCNCCNNCCCOCCNCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s8d19;s7;s5d21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-SXOUOEOFPBGVPK_on_P41594_WT,Low,ChEMBL30,CHEMBL1784058,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,SXOUOEOFPBGVPK,SXOUOEOFPBGVPK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O2S/c1-10(2)7-21-17-14-15-16(28-18(14)23-8-22-17)19(26)25(9-24-15)11-4-5-13(27-3)12(20)6-11/h4-6,8-9H,1,7H2,2-3H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,23,19,20,26,4,10,16,2,18,24,21,7,14,13,6,8,27,25,5,11,9,15,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCOCCFCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s24;s18d24;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-SXOUOEOFPBGVPK_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54584889;CHEMBL1784058,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,SXOUOEOFPBGVPK,SXOUOEOFPBGVPK-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O2S/c1-10(2)7-21-17-14-15-16(28-18(14)23-8-22-17)19(26)25(9-24-15)11-4-5-13(27-3)12(20)6-11/h4-6,8-9H,1,7H2,2-3H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,23,19,20,26,4,10,16,2,18,24,21,7,14,13,6,8,27,25,5,11,9,15,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCOCCFCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s24;s18d24;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  7.143;  7.140,7.141,0.002,0.002,2.0,7.141,0.002
-SXUHCQDWEZBCFS_on_P18507_WT,Low,ChEMBL30,CHEMBL576522,Cc1c2Cn3ccnc3-c3c(ccc(Br)c3)-n2cn1,SXUHCQDWEZBCFS,SXUHCQDWEZBCFS-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-13-7-18-5-4-16-14(18)11-6-10(15)2-3-12(11)19(13)8-17-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,7,6,16,4,18,2,14,10,11,3,9,15,8,19,5,17/rA:19CCCCNCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-SXUHCQDWEZBCFS_on_P28472_WT,Low,ChEMBL30,CHEMBL576522,Cc1c2Cn3ccnc3-c3c(ccc(Br)c3)-n2cn1,SXUHCQDWEZBCFS,SXUHCQDWEZBCFS-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-13-7-18-5-4-16-14(18)11-6-10(15)2-3-12(11)19(13)8-17-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,7,6,16,4,18,2,14,10,11,3,9,15,8,19,5,17/rA:19CCCCNCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-SXUHCQDWEZBCFS_on_P31644_WT,Low,ChEMBL30,CHEMBL576522,Cc1c2Cn3ccnc3-c3c(ccc(Br)c3)-n2cn1,SXUHCQDWEZBCFS,SXUHCQDWEZBCFS-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-13-7-18-5-4-16-14(18)11-6-10(15)2-3-12(11)19(13)8-17-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,7,6,16,4,18,2,14,10,11,3,9,15,8,19,5,17/rA:19CCCCNCCNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-SXVNXZWIJVJYDK_on_Q14833_WT,High,ChEMBL30,CHEMBL3609900,O=C(Nc1cc(OCF)ccc1)c1ncccc1,SXVNXZWIJVJYDK,SXVNXZWIJVJYDK-UHFFFAOYSA-N,"InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)","""AuxInfo=1/1/N:17,16,11,12,10,18,15,5,8,4,6,13,2,9,14,3,1,7/rA:18OCNCCCOCFCCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s8;d6;s10;s4d11;s2;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.430;  8.430,8.43,0.0,0.0,2.0,8.43,0.0
-SXXDXKRJLWPSJZ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1779863;53248879;CHEMBL1779863,CC(C)N1CCc2c(ccc(C#Cc3cccc(Cl)c3)n2)C1=O,SXXDXKRJLWPSJZ,SXXDXKRJLWPSJZ-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O/c1-13(2)22-11-10-18-17(19(22)23)9-8-16(21-18)7-6-14-4-3-5-15(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,10,9,6,5,20,2,14,18,11,8,7,22,19,21,4,23/E:(1,2)/rA:23CCCNCCCCCCCCCCCCCCClCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s7d11;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;PubChemAID:598490;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137;PubChemAID:598490;PMID:21531137,2011;2012;2011,0;0;1,0,0,1;0;0,0;1;0,,=,  7.000;  8.244;  8.240,7.827999999999999,0.585,0.414,3.0,8.24,0.004
-SXYMVBQECMWEMV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3758298,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1,SXYMVBQECMWEMV,SXYMVBQECMWEMV-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(13(21)7-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,28,3,2,10,17,21,26,13,18,6,7,15,19,22,27,4,9,5,14,8,16,20/rA:28CCCNNCCONCCCCNCOCCCOCClCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-SXYMVBQECMWEMV_on_Q14833_WT,Low,ChEMBL30,CHEMBL3758298,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1,SXYMVBQECMWEMV,SXYMVBQECMWEMV-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2N4O3/c1-9-8-22-24-16(9)17(26)23-10-5-6-14(13(21)7-10)25-18(27)11-3-2-4-12(20)15(11)19(25)28/h2-8H,1H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,24,25,23,11,12,28,3,2,10,17,21,26,13,18,6,7,15,19,22,27,4,9,5,14,8,16,20/rA:28CCCNNCCONCCCCNCOCCCOCClCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s14s18;d19;s18;s21;d21;s23;s17d24;s13;s26;s10d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SYCPILSKZWDGPU_on_O15399_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_O60391_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_Q05586_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_Q12879_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_Q13224_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYCPILSKZWDGPU_on_Q14957_WT,Low,ChEMBL30,CHEMBL170163,CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1,SYCPILSKZWDGPU,SYCPILSKZWDGPU-UHFFFAOYSA-N,"InChI=1S/C19H21N3O3/c1-3-25-19(24)18(23)21-16-10-13(2)20-17(11-16)22-9-8-14-6-4-5-7-15(14)12-22/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21,23)","""AuxInfo=1/1/N:1,24,2,19,18,20,17,14,13,25,10,21,23,15,16,9,11,6,4,22,8,12,7,5,3/rA:25CCOCOCONCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;d9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d11;s22;s23;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-SYDRNVGYRADSCS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3918696,O=C(c1ncc(F)cc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1,SYDRNVGYRADSCS,SYDRNVGYRADSCS-UHFFFAOYSA-N,"InChI=1S/C19H15F3N4O2/c20-12-2-1-3-16(6-12)28-11-14-8-15-10-25(4-5-26(15)24-14)19(27)18-17(22)7-13(21)9-23-18/h1-3,6-9H,4-5,10-11H2","""AuxInfo=1/0/N:24,23,25,12,13,20,8,26,5,28,17,21,6,16,27,19,9,3,2,22,7,10,4,15,11,14,1,18/rA:28OCCNCCFCCFNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s9;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s16;s14d26;s11s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-SYERUNLOOWZXMI_on_P41594_WT,Medium,ChEMBL30,CHEMBL3982559,CN1C(=O)C(O)(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,SYERUNLOOWZXMI,SYERUNLOOWZXMI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-19(2)14-20(24,18(23)22(19)3)17-12-11-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-13,24H,14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,16,15,17,14,18,12,11,9,8,19,21,13,10,7,3,22,5,20,2,4,6/E:(1,2)(5,6)(7,8)/rA:24CNCOCOCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;s5;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-SYKYOLFOQONDPT_on_Q14416_WT,High,ChEMBL30,CHEMBL3884075,Clc1c(COc2c(Cl)c3nnc(CC4CC4)n3cc2)cccc1,SYKYOLFOQONDPT,SYKYOLFOQONDPT-UHFFFAOYSA-N,"InChI=1S/C17H15Cl2N3O/c18-13-4-2-1-3-12(13)10-23-14-7-8-22-15(9-11-5-6-11)20-21-17(22)16(14)19/h1-4,7-8,11H,5-6,9-10H2","""AuxInfo=1/0/N:21,22,20,23,15,16,19,18,13,4,14,3,2,6,12,7,9,1,8,11,10,17,5/E:(5,6)/rA:23ClCCCOCCClCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s10;d11;s12;s13;s14;s14s15;s9s12;s17;s6d18;s3;d20;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-SYQYWNICFHQASD_on_P31644_WT,High,ChEMBL30,CHEMBL3676536,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccccc2F)no1,SYQYWNICFHQASD,SYQYWNICFHQASD-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O3/c1-12(2)23-20(25)14-8-9-18(22-10-14)26-11-16-13(3)27-24-19(16)15-6-4-5-7-17(15)21/h4-10,12H,11H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:14,15,1,21,22,20,23,8,7,16,4,13,2,9,19,3,24,6,18,10,25,17,12,26,11,5,27/E:(1,2)/rA:27CCCCOCCCCCONCCCCNCCCCCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;s24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-SYTGZUMODGDAOP_on_P31644_WT,High,ChEMBL30,CHEMBL3676554,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)cc2)no1,SYTGZUMODGDAOP,SYTGZUMODGDAOP-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O3/c1-11-15(17(26-29-11)12-2-5-14(20)6-3-12)9-28-16-7-4-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,22,27,8,23,26,7,18,4,13,2,21,9,24,3,6,20,10,14,25,15,16,17,19,12,28,11,5,29/E:(2,3)(5,6)(21,22,23)/rA:29CCCCOCCCCCONCCFFFCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-SYYCVTWAHZNFIF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11514153;CHEMBL372532,COc1ncc(C#Cc2csc(C)n2)cc1,SYYCVTWAHZNFIF,SYYCVTWAHZNFIF-UHFFFAOYSA-N,"InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)5-3-10-4-6-12(15-2)13-7-10/h4,6-8H,1-2H3","""AuxInfo=1/0/N:13,1,7,15,8,16,5,10,12,6,9,3,4,14,2,11/rA:16COCNCCCCCCSCCNCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;s11;s12;s9d12;s6;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  6.371;  6.370,6.37,0.0,0.0,2.0,6.37,0.001
-SZAGWSQZJBUCOS_on_P41594_WT,High,ChEMBL30,CHEMBL3122211,Cc1cccnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12,SZAGWSQZJBUCOS,SZAGWSQZJBUCOS-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-12-6-5-9-20-15(12)16-17-18(24(2)23-16)22-14(10-21-17)25-11-13-7-3-4-8-19-13/h3-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,11,19,20,4,3,18,21,5,23,16,2,17,14,7,8,25,12,22,6,24,13,9,10,15/rA:25CCCCCNCCNNCCNCOCCCCCCNCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s23;s8s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-SZBLGDZLRKZIKN_on_O15399_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_O60391_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZBLGDZLRKZIKN_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193174,Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1,SZBLGDZLRKZIKN,SZBLGDZLRKZIKN-UHFFFAOYSA-N,"InChI=1S/C35H55N3/c1-23(2)10-9-12-24(3)29-16-17-30-28-15-14-26-22-27(37-33(36)38-32-13-8-7-11-25(32)4)18-20-34(26,5)31(28)19-21-35(29,30)6/h7-8,11,13-14,23-24,27-31H,9-10,12,15-22H2,1-6H3,(H3,36,37,38)","""AuxInfo=1/1/N:29,30,24,1,12,21,37,36,26,27,38,25,35,14,15,31,32,9,18,10,19,34,28,23,2,13,8,16,22,33,17,3,5,11,20,6,7,4/E:(1,2)/rA:38CCCNCNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;w?5;s7;s8;s9;s10;s11;s11;w?13;s14;s15;s11s16;s17;s18;s19;s20;s20;s22;s23;s23;s25;s26;s27;s28;s28;s22;s31;s16s20s32;s8s13;s3;d35;s36;s2d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZCNAPWYKOMUEO_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182715;44392645,Cc1c(OCc2cc(Sc3ccncc3)ccc2)ccc(C(=O)CC(C)C)c1O,SZCNAPWYKOMUEO,SZCNAPWYKOMUEO-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16(2)13-22(26)21-7-8-23(17(3)24(21)27)28-15-18-5-4-6-20(14-18)29-19-9-11-25-12-10-19/h4-12,14,16,27H,13,15H2,1-3H3","""AuxInfo=1/0/N:26,27,1,17,18,16,20,19,11,15,12,14,24,7,5,25,2,6,10,8,21,22,3,28,13,23,29,4,9/E:(1,2)(9,10)(11,12)/rA:29CCCOCCCCSCCCNCCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d8;s16;s6d17;s3;d19;s20;s21;d22;s22;s24;s25;s25;s2d21;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  6.050;  6.051,6.05,0.001,0.001,2.0,6.05,0.001
-SZDYQTCZTLGXBX_on_P14867_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-SZDYQTCZTLGXBX_on_P18507_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL829006;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960;  7.120;  6.280;  7.360,7.18,0.603,0.348,4.0,7.24,0.42
-SZDYQTCZTLGXBX_on_P28472_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.360;  7.960;  6.280;  7.120,7.18,0.603,0.348,4.0,7.24,0.42
-SZDYQTCZTLGXBX_on_P31644_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-SZDYQTCZTLGXBX_on_P34903_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-SZDYQTCZTLGXBX_on_P47869_WT,Low,ChEMBL30,CHEMBL179737,OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,SZDYQTCZTLGXBX,SZDYQTCZTLGXBX-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-27-26-23(29(24)28-25)20-4-2-1-3-5-20/h1-9,18-19,30H,10-15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,19,20,10,11,1,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31OCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-SZEKUJJHXBCXRB_on_P41594_WT,High,ChEMBL30,CHEMBL3655608,Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1,SZEKUJJHXBCXRB,SZEKUJJHXBCXRB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2/c1-13-5-3-6-15(11-13)19(23)22-17-7-4-8-18(21-17)24-16-10-9-14(2)20-12-16/h3-12H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,20,4,12,3,5,11,13,18,17,24,22,2,19,6,16,10,14,7,21,23,9,8,15/rA:24CCCCCCCONCCCCCOCCCCCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-SZGKTGVROKLYCT_on_O00222_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2426819,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZGKTGVROKLYCT_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2426621;53235518,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PubChemAID:770257,2013;2014,0,1;0,0,0,0;1,,=,  7.480;  7.481,7.481,0.0,0.0,2.0,7.481,0.0
-SZGKTGVROKLYCT_on_Q13255_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2426825,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZGKTGVROKLYCT_on_Q14416_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2426824,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZGKTGVROKLYCT_on_Q14831_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2426820,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZGKTGVROKLYCT_on_Q14832_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2426822,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZGKTGVROKLYCT_on_Q14833_WT,Low,ChEMBL30,CHEMBL2426621,O=C1CCCc2c1sc(C#Cc1ccccc1)n2,SZGKTGVROKLYCT,SZGKTGVROKLYCT-UHFFFAOYSA-N,"InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","""AuxInfo=1/0/N:15,14,16,4,13,17,5,3,11,10,12,6,2,9,7,18,1,8/E:(2,3)(5,6)/rA:18OCCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2426823,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-SZHSENNQOQSFEA_on_O00591_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_O14764_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P14867_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P18505_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P18507_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P28472_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P31644_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P34903_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P47869_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P47870_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P48169_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_P78334_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_Q16445_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZHSENNQOQSFEA_on_Q99928_WT,Low,ChEMBL30,CHEMBL1177985,CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1,SZHSENNQOQSFEA,SZHSENNQOQSFEA-UHFFFAOYSA-N,"InChI=1S/C16H13Cl3N2O2/c1-21(14(22)8-20)13-6-5-9(17)7-10(13)16(23)15-11(18)3-2-4-12(15)19/h2-7H,8,20H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,23,19,5,20,8,12,17,7,3,11,9,21,13,18,6,2,4,10/E:(3,4)(11,12)(18,19)/rA:23CNCOCNCCCOCCClCCCCClCCClCC/rB:s1;s2;d3;s3;s5;s2;d7;s8;d9;s9;d11;s12;s12;d14;s15;s11d16;s17;s8;d19;s20;s20;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-SZIOQXJSQLZZSF_on_P41594_WT,Medium,ChEMBL30,CHEMBL4112933,O=C1OCC2CCCC2N1c1ccc(C#Cc2cc(F)ccc2F)cn1,SZIOQXJSQLZZSF,SZIOQXJSQLZZSF-UHFFFAOYSA-N,"InChI=1S/C20H16F2N2O2/c21-16-7-8-17(22)14(10-16)6-4-13-5-9-19(23-11-13)24-18-3-1-2-15(18)12-26-20(24)25/h5,7-11,15,18H,1-3,12H2","""AuxInfo=1/0/N:7,6,8,15,13,16,21,22,12,18,25,4,14,17,5,19,23,9,11,2,20,24,26,10,1,3/rA:26OCOCCCCCCNCCCCCCCCCFCCCFCN/rB:d1;s2;s3;s4;s5;s6;s7;s5s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;s19;d19;s21;s17d22;s23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887765,PATENT:US9221802B2,2015.0,PATENT:US9221802B2,2015,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-SZKPLMQIJGQOIN_on_P41594_WT,High,ChEMBL30,CHEMBL3746294,Cc1c2C(=O)N(c3ccc(F)cc3)CCn2nc1COc1ccccc1,SZKPLMQIJGQOIN,SZKPLMQIJGQOIN-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-24-12-11-23(20(25)19(14)24)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,9,12,8,13,14,15,19,2,10,7,21,18,3,4,11,17,6,16,5,20/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCCCONCCCCFCCCCNNCCOCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s10;s7d12;s6;s14;s3s15;s16;s2d17;s18;s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-SZMPZIGCFVGKAJ_on_P41594_WT,High,ExCAPE-DB,53321026,Oc1coc2c1ccc(C#Cc1ccccc1)c2,SZMPZIGCFVGKAJ,SZMPZIGCFVGKAJ-UHFFFAOYSA-N,"InChI=1S/C16H10O2/c17-15-11-18-16-10-13(8-9-14(15)16)7-6-12-4-2-1-3-5-12/h1-5,8-11,17H","""AuxInfo=1/0/N:15,14,16,13,17,11,10,8,7,18,3,12,9,6,2,5,1,4/E:(2,3)(4,5)/rA:18OCCOCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858,PubChemAID:579858,2011.0,PubChemAID:579858,2011,0,0,0,0,1,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-SZQABRYIHGNCIB_on_Q14416_WT,High,ChEMBL30,CHEMBL4076786,COc1ncc(COc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1,SZQABRYIHGNCIB,SZQABRYIHGNCIB-UHFFFAOYSA-N,"InChI=1S/C24H21F3N4O2/c1-32-21-9-4-16(13-28-21)14-33-18-7-5-17(6-8-18)19-10-11-31-20(12-15-2-3-15)29-30-23(31)22(19)24(25,26)27/h4-11,13,15H,2-3,12,14H2,1H3","""AuxInfo=1/0/N:1,25,26,32,11,30,10,31,33,29,28,23,5,7,24,6,12,9,13,22,3,14,19,15,16,17,18,4,21,20,27,2,8/E:(2,3)(5,6)(7,8)(25,26,27)/rA:33COCNCCCOCCCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s9d30;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.060;  7.240;  8.060,7.787000000000001,0.387,0.273,3.0,8.06,0.0
-SZSNAHWJFCIUBV_on_O00591_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654255;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_O14764_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P14867_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P18505_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P18507_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654255;CHEMBL654251,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00417-R;DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P28472_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P31644_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P34903_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P47869_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P47870_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P48169_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_P78334_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_Q16445_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZSNAHWJFCIUBV_on_Q99928_WT,Low,ChEMBL30,CHEMBL80189,CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,SZSNAHWJFCIUBV,SZSNAHWJFCIUBV-UHFFFAOYSA-N,"InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,22,23,5,19,4,11,7,14,6,12,10,9,16,21,20,8,15,2,13/E:(1,2)/rA:23CNCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s13s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251;CHEMBL654255,DOI:10.1016/0960-894X(95)00417-R,1995.0,DOI:10.1016/0960-894X(95)00418-S;DOI:10.1016/0960-894X(95)00417-R,1995,1,0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-SZTSAJHGMRUJJW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,23725540;CHEMBL593848;CHEMBL593848,CCCC1CCCN(C(=O)c2cc(Cl)c(Nc3cnc(C)cc3)nc2)C1,SZTSAJHGMRUJJW,SZTSAJHGMRUJJW-UHFFFAOYSA-N,"InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,21,2,6,3,5,22,23,7,12,25,18,26,20,4,11,17,13,15,9,14,19,24,16,8,10/rA:26CCCCCCCNCOCCCClCNCCNCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;d11;s12;s13;d13;s15;s16;d17;s18;d19;s20;s20;s17d22;s15;s11d24;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451780;CHEMBL1065281;CHEMBL1065282,PMID:19931453,2010.0,PubChemAID:451780;PMID:19931453;PMID:19931453,2010,0;1;1,0,0,0,1;0;0,,=,  6.854;  6.720;  6.850,6.808,0.062,0.044000000000000004,3.0,6.85,0.004
-SZUBXJLWPFYTPT_on_P41594_WT,High,ChEMBL30,CHEMBL2349529,Cc1nc(NC(=O)c2nn(C)c3c2CCCC3)ccc1,SZUBXJLWPFYTPT,SZUBXJLWPFYTPT-UHFFFAOYSA-N,"InChI=1S/C15H18N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)19(2)18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)","""AuxInfo=1/1/N:1,11,15,16,19,20,14,17,18,2,13,12,4,8,6,3,5,9,10,7/rA:20CCNCNCOCNNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s8d12;s13;s14;s15;s12s16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-TTYIEQPWSVCGEY_on_P41594_WT,Low,ChEMBL30,CHEMBL2408578,CCCC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2,TTYIEQPWSVCGEY,TTYIEQPWSVCGEY-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c1-2-3-11-8-15-14(16(22)9-11)10-19-17(21-15)20-13-6-4-12(18)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,2,3,16,19,15,20,10,5,22,4,17,14,8,9,6,12,18,21,13,11,7/E:(4,5)(6,7)/rA:22CCCCCCOCCCNCNCCCCClCCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s4s9;s9;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s12;s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TTYVSZBWMRTHCE_on_P41594_WT,High,ChEMBL30,CHEMBL561430,O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCSCC1,TTYVSZBWMRTHCE,TTYVSZBWMRTHCE-UHFFFAOYSA-N,"InChI=1S/C18H16N2OS/c21-18(20-10-12-22-13-11-20)16-7-9-17(19-14-16)8-6-15-4-2-1-3-5-15/h1-5,7,9,14H,10-13H2","""AuxInfo=1/0/N:12,11,13,10,14,8,4,7,5,18,22,19,21,16,9,3,6,2,15,17,1,20/E:(2,3)(4,5)(10,11)(12,13)/rA:22OCCCCCCCCCCCCCNCNCCSCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756,PMID:19443216,2009.0,PMID:19443216,2009,0,1,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-TTZRFUZXVJEIQI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3899883,NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccccc2n1,TTZRFUZXVJEIQI,TTZRFUZXVJEIQI-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN2O/c17-13-7-9(18)5-6-10(13)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)","""AuxInfo=1/1/N:17,18,16,19,9,8,12,5,10,7,15,6,13,20,4,2,14,11,1,21,3/rA:21NCOCCCCCCCFCCClCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;s13;d6;s15;d16;s17;d18;s15s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-TUENOOLCQKCDDB_on_Q14416_WT,High,ChEMBL30,CHEMBL3933829,[N-]=[N+]=NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,TUENOOLCQKCDDB,TUENOOLCQKCDDB-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2N4O5/c16-6-2-1-5(3-7(6)17)4-26-12-11(20-21-19)8-9(13(22)23)10(8)15(12,18)14(24)25/h1-3,8-12H,4,18H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,21,26,18,19,22,24,5,6,10,4,16,7,13,11,23,25,12,1,3,2,8,9,14,15,17/E:(22,23)(24,25)/CRV:21.5/rA:26N-N+NCCCCOOCCNCOOCOCCCCCClCClC/rB:d1;d2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;d13;s13;s4s11;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-TUENOOLCQKCDDB_on_Q14832_WT,High,ChEMBL30,CHEMBL3933829,[N-]=[N+]=NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,TUENOOLCQKCDDB,TUENOOLCQKCDDB-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2N4O5/c16-6-2-1-5(3-7(6)17)4-26-12-11(20-21-19)8-9(13(22)23)10(8)15(12,18)14(24)25/h1-3,8-12H,4,18H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:20,21,26,18,19,22,24,5,6,10,4,16,7,13,11,23,25,12,1,3,2,8,9,14,15,17/E:(22,23)(24,25)/CRV:21.5/rA:26N-N+NCCCCOOCCNCOOCOCCCCCClCClC/rB:d1;d2;s3;s4;s5;s6;d7;s7;s5s6;s10;s11;s11;d13;s13;s4s11;s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-TUHCVTFMRNMPPI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL421406,CCS(=O)(=O)N(Cc1cnccc1)c1cc(Oc2ccccc2)ccc1,TUHCVTFMRNMPPI,TUHCVTFMRNMPPI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-8-7-13-21-15-17)18-9-6-12-20(14-18)25-19-10-4-3-5-11-19/h3-15H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,25,12,13,26,19,23,24,11,15,9,7,8,14,18,16,10,6,4,5,17,3/E:(4,5)(10,11)(23,24)/CRV:26.6/rA:26CCSOONCCCNCCCCCCOCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-TUHOWSFYISVYNX_on_P14867_WT,Low,ChEMBL30,CHEMBL2315218,NCc1cn(O)nc1I,TUHOWSFYISVYNX,TUHOWSFYISVYNX-UHFFFAOYSA-N,"InChI=1S/C4H6IN3O/c5-4-3(1-6)2-8(9)7-4/h2,9H,1,6H2","""AuxInfo=1/0/N:2,4,3,8,9,1,7,5,6/rA:9NCCCNONCI/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-TUHOWSFYISVYNX_on_P18507_WT,Low,ChEMBL30,CHEMBL2315218,NCc1cn(O)nc1I,TUHOWSFYISVYNX,TUHOWSFYISVYNX-UHFFFAOYSA-N,"InChI=1S/C4H6IN3O/c5-4-3(1-6)2-8(9)7-4/h2,9H,1,6H2","""AuxInfo=1/0/N:2,4,3,8,9,1,7,5,6/rA:9NCCCNONCI/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-TUHOWSFYISVYNX_on_P47870_WT,Low,ChEMBL30,CHEMBL2315218,NCc1cn(O)nc1I,TUHOWSFYISVYNX,TUHOWSFYISVYNX-UHFFFAOYSA-N,"InChI=1S/C4H6IN3O/c5-4-3(1-6)2-8(9)7-4/h2,9H,1,6H2","""AuxInfo=1/0/N:2,4,3,8,9,1,7,5,6/rA:9NCCCNONCI/rB:s1;s2;d3;s4;s5;s5;s3d7;s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,<,  3.301,3.301,0.0,0.0,1.0,3.301,0.0
-TUKBLRJBXIQJPU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,744275;CHEMBL223496,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,TUKBLRJBXIQJPU,TUKBLRJBXIQJPU-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL916420,PMID:16279797,2005.0,PubChemAID:282966;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.051;  6.050,6.05,0.0,0.0,2.0,6.05,0.001
-TUKBLRJBXIQJPU_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL223496;744275,Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,TUKBLRJBXIQJPU,TUKBLRJBXIQJPU-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  8.300;  8.301,8.3,0.001,0.001,2.0,8.3,0.0
-TULUCHBLMYPOAA_on_Q13255_WT,High,ChEMBL30,CHEMBL568450,Cc1c(-c2ccc(C(=O)c3ccccc3)cc2)nnn1-c1cccnc1,TULUCHBLMYPOAA,TULUCHBLMYPOAA-UHFFFAOYSA-N,"InChI=1S/C21H16N4O/c1-15-20(23-24-25(15)19-8-5-13-22-14-19)16-9-11-18(12-10-16)21(26)17-6-3-2-4-7-17/h2-14H,1H3","""AuxInfo=1/0/N:1,13,12,14,23,11,15,22,5,17,6,16,24,26,2,4,10,7,21,3,8,25,18,19,20,9/E:(3,4)(6,7)(9,10)(11,12)/rA:26CCCCCCCCOCCCCCCCCNNNCCCCNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;d10;s11;d12;s13;s10d14;s7;s4d16;s3;d18;s2s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-TUMBRQYLINUHAB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL22136,NC1(C(=O)O)CC(=CP(=O)(O)O)C1,TUMBRQYLINUHAB,TUMBRQYLINUHAB-UHFFFAOYSA-N,"InChI=1S/C6H10NO5P/c7-6(5(8)9)1-4(2-6)3-13(10,11)12/h3H,1-2,7H2,(H,8,9)(H2,10,11,12)","""AuxInfo=1/1/N:6,13,8,7,3,2,1,4,5,10,11,12,9/E:(1,2)(8,9)(10,11,12)/rA:13NCCOOCCCPOOOC/rB:s1;s2;d3;s3;s2;s6;w?7;s8;d9;s9;s9;s2s7;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715495,PMID:10888329,2000.0,PMID:10888329,2000,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-TUMXYGIWQHAHFZ_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL576231;45484850,Cc1nc2c(ccc(-c3c(C)n(-c4cnccc4)nn3)c2)s1,TUMXYGIWQHAHFZ,TUMXYGIWQHAHFZ-UHFFFAOYSA-N,"InChI=1S/C16H13N5S/c1-10-16(19-20-21(10)13-4-3-7-17-9-13)12-5-6-15-14(8-12)18-11(2)22-15/h3-9H,1-2H3","""AuxInfo=1/0/N:11,1,17,18,7,6,16,21,14,10,2,8,13,4,5,9,15,3,20,19,12,22/rA:22CCNCCCCCCCCNCCNCCCNNCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283;PubChemAID:446923,PMID:19692242,2009.0,PMID:19692242;PubChemAID:446923,2009;2010,1;0,0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-TUQKPEKCBXAHHP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3954735,CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)N1,TUQKPEKCBXAHHP,TUQKPEKCBXAHHP-UHFFFAOYSA-N,"InChI=1S/C18H17N3O/c1-18(2)13-21(17(22)20-18)16-11-10-15(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,13H2,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,15,14,16,13,17,11,10,8,7,18,4,12,9,6,20,2,19,22,5,21/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCCNCON/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-TURYLHZSPSMWRS_on_Q14833_WT,High,ChEMBL30,CHEMBL568440,CNC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,TURYLHZSPSMWRS,TURYLHZSPSMWRS-UHFFFAOYSA-N,"InChI=1S/C15H18Cl2N2O2/c1-18-14(20)12-4-2-3-5-13(12)15(21)19-11-7-9(16)6-10(17)8-11/h6-8,12-13H,2-5H2,1H3,(H,18,20)(H,19,21)","""AuxInfo=1/1/N:1,7,8,6,9,18,15,21,16,19,14,5,10,3,11,17,20,2,13,4,12/E:(7,8)(9,10)(16,17)/rA:21CNCOCCCCCCCONCCCClCCClC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s10;d11;s11;s13;d14;s15;s16;d16;s18;s19;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TUSSXAVLJHYIML_on_P41594_WT,Medium,ChEMBL30,CHEMBL3906688,CC1(C)CN(c2ccc(C#Cc3ccccc3)nn2)C(=O)O1,TUSSXAVLJHYIML,TUSSXAVLJHYIML-UHFFFAOYSA-N,"InChI=1S/C17H15N3O2/c1-17(2)12-20(16(21)22-17)15-11-10-14(18-19-15)9-8-13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,8,7,4,12,9,6,20,2,18,19,5,21,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCNNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-TUTUFABMXLXQMU_on_Q14416_WT,High,ChEMBL30,CHEMBL2179316,FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12,TUTUFABMXLXQMU,TUTUFABMXLXQMU-UHFFFAOYSA-N,"InChI=1S/C19H17ClF4N4/c20-16-14(6-9-28-15(12-19(22,23)24)25-26-17(16)28)27-10-7-18(21,8-11-27)13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2","""AuxInfo=1/0/N:21,20,22,19,23,26,15,24,27,14,25,5,18,12,6,10,9,16,2,11,17,1,3,4,7,8,13,28/E:(2,3)(4,5)(7,8)(10,11)(22,23,24)/rA:28FCFFCCNNCCClCNCCCFCCCCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;d10;s12;s13;s14;s15;s16;s16;d18;s19;d20;s21;s18d22;s16;s13s24;s12;d26;s6s9s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-TUUJENJRJNDIPB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11708662;CHEMBL202051,CC(=O)Nc1cc(C#Cc2csc(C)n2)ccc1,TUUJENJRJNDIPB,TUUJENJRJNDIPB-UHFFFAOYSA-N,"InChI=1S/C14H12N2OS/c1-10(17)15-13-5-3-4-12(8-13)6-7-14-9-18-11(2)16-14/h3-5,8-9H,1-2H3,(H,15,17)","""AuxInfo=1/1/N:1,14,17,16,18,8,9,6,11,2,13,7,5,10,4,15,3,12/rA:18CCONCCCCCCCSCCNCCC/rB:s1;d2;s2;s4;d5;s6;s7;t8;s9;d10;s11;s12;s13;s10d13;d7;s16;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  5.695;  5.700,5.697,0.003,0.003,2.0,5.697,0.002
-TUWCJQPBWXKMFA_on_Q14833_WT,High,ChEMBL30,CHEMBL4105462,CC(=O)N1CCC(COc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)CC1,TUWCJQPBWXKMFA,TUWCJQPBWXKMFA-UHFFFAOYSA-N,"InChI=1S/C24H23N3O4S/c1-15(28)27-7-4-16(5-8-27)14-30-18-2-3-22-19(10-18)20(26-29)11-23(31-22)21-12-24-17(13-25-21)6-9-32-24/h2-3,6,9-13,16,29H,4-5,7-8,14H2,1H3","""AuxInfo=1/0/N:1,11,12,6,31,20,5,32,21,30,25,24,18,8,2,7,19,10,29,26,16,13,15,23,17,27,4,3,28,9,14,22/E:(4,5)(7,8)/rA:32CCONCCCCOCCCCOCCNCCCCSCCCCNOCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s19s22;s16d23;d15;s25;w?26;s27;s13s26;s10d29;s7;s4s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-TUWFZAWPLYDRPS_on_Q13255_WT,High,ChEMBL30,CHEMBL238090,Cn1cnc2c1c1c(nc2)sc2c1ncn(-c1ccc(Cl)cc1)c2=O,TUWFZAWPLYDRPS,TUWFZAWPLYDRPS-UHFFFAOYSA-N,"InChI=1S/C17H10ClN5OS/c1-22-7-20-11-6-19-16-12(14(11)22)13-15(25-16)17(24)23(8-21-13)10-4-2-9(18)3-5-10/h2-8H,1H3","""AuxInfo=1/0/N:1,19,22,18,23,10,3,15,20,17,5,7,13,6,12,8,24,21,9,4,14,2,16,25,11/E:(2,3)(4,5)/rA:25CNCNCCCCNCSCCNCNCCCCClCCCO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-TUYGGVAJDAZCIC_on_P14867_WT,Low,ChEMBL30,CHEMBL469477,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,TUYGGVAJDAZCIC,TUYGGVAJDAZCIC-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,21,4,13,12,15,22,24,16,14,10,7,11,5,8,23,6,9/E:(5,6)(7,8)/rA:24CCCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-TUYGGVAJDAZCIC_on_P18507_WT,Low,ChEMBL30,CHEMBL469477,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,TUYGGVAJDAZCIC,TUYGGVAJDAZCIC-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,21,4,13,12,15,22,24,16,14,10,7,11,5,8,23,6,9/E:(5,6)(7,8)/rA:24CCCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-TUYGGVAJDAZCIC_on_P47870_WT,Low,ChEMBL30,CHEMBL469477,CCCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,TUYGGVAJDAZCIC,TUYGGVAJDAZCIC-UHFFFAOYSA-N,"InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,2,3,19,18,20,17,21,4,13,12,15,22,24,16,14,10,7,11,5,8,23,6,9/E:(5,6)(7,8)/rA:24CCCCCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s11;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.920,9.92,0.0,0.0,1.0,9.92,0.0
-TUYNCXNLDTZQCP_on_P41594_WT,High,ChEMBL30,CHEMBL4068928,O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1,TUYNCXNLDTZQCP,TUYNCXNLDTZQCP-UHFFFAOYSA-N,"InChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-17-2-1-3-18(25)21(17)26-11-19(20)29(27,28)16-9-14(23)8-15(24)10-16/h1-11H","""AuxInfo=1/0/N:19,20,18,24,29,25,28,8,5,11,13,23,26,6,9,4,21,16,12,22,15,27,7,10,17,14,1,3,2/E:(4,5)(6,7)(9,10)(14,15)(23,24)(27,28)/CRV:29.6/rA:29OSOCCCFCCFCCCNCCFCCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;s16;d16;s18;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-TVAGYXZVJAXQPR_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205929;57559552,CN(C)c1c2c(ncn1)sc1c2ncn(-c2cnccc2)c1=O,TVAGYXZVJAXQPR,TVAGYXZVJAXQPR-UHFFFAOYSA-N,"InChI=1S/C15H12N6OS/c1-20(2)13-10-11-12(23-14(10)18-7-17-13)15(22)21(8-19-11)9-4-3-5-16-6-9/h3-8H,1-2H3","""AuxInfo=1/0/N:1,3,20,21,19,17,8,14,16,5,12,11,4,6,22,18,9,7,13,2,15,23,10/E:(1,2)/rA:23CNCCCCNCNSCCNCNCCNCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  6.690;  6.690,6.69,0.0,0.0,2.0,6.69,0.0
-TVBMAKDCTVEZHT_on_P41594_WT,High,ChEMBL30,CHEMBL198180,CCOc1cc(-c2c(C#N)nccc2)cnc1Nc1nc(C)ccc1,TVBMAKDCTVEZHT,TVBMAKDCTVEZHT-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c1-3-25-17-10-14(15-7-5-9-21-16(15)11-20)12-22-19(17)24-18-8-4-6-13(2)23-18/h4-10,12H,3H2,1-2H3,(H,22,23,24)","""AuxInfo=1/1/N:1,22,2,24,13,23,14,25,12,5,9,15,21,6,7,8,4,19,17,10,11,16,20,18,3/rA:25CCOCCCCCCNNCCCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;t9;s8;d11;s12;s7d13;d6;s15;s4d16;s17;s18;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-TVCILYMEQCWTGP_on_Q14416_WT,High,ChEMBL30,CHEMBL1095705,O=C1OC(COc2ccccc2)CN1c1ccccc1,TVCILYMEQCWTGP,TVCILYMEQCWTGP-UHFFFAOYSA-N,"InChI=1S/C16H15NO3/c18-16-17(13-7-3-1-4-8-13)11-15(20-16)12-19-14-9-5-2-6-10-14/h1-10,15H,11-12H2","""AuxInfo=1/0/N:18,10,17,19,9,11,16,20,8,12,13,5,15,7,4,2,14,1,6,3/E:(3,4)(5,6)(7,8)(9,10)/rA:20OCOCCOCCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s2s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-TVDSOZVAHQCSKS_on_P41594_WT,High,ChEMBL30,CHEMBL214236,Cc1cccc(C#CC(Sc2cc(Cl)ccc2)C(C)C)n1,TVDSOZVAHQCSKS,TVDSOZVAHQCSKS-UHFFFAOYSA-N,"InChI=1S/C18H18ClNS/c1-13(2)18(21-17-9-5-7-15(19)12-17)11-10-16-8-4-6-14(3)20-16/h4-9,12-13,18H,1-3H3","""AuxInfo=1/0/N:19,20,1,4,16,3,15,5,17,7,8,12,18,2,13,6,11,9,14,21,10/E:(1,2)/rA:21CCCCCCCCCSCCCClCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s9;s18;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-TVGGDSDCPKZAMT_on_P31644_WT,High,ChEMBL30,CHEMBL3676555,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccc(F)cc2)no1,TVGGDSDCPKZAMT,TVGGDSDCPKZAMT-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-13-18(20(25-28-13)15-4-7-17(22)8-5-15)12-27-19-9-6-16(11-23-19)21(26)24-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,15,16,21,26,8,22,25,7,13,17,4,2,14,20,9,23,3,6,19,10,24,18,12,27,11,5,28/E:(2,3)(4,5)(7,8)/rA:28CCCCOCCCCCONCCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-TVHHSACXCLHCRT_on_P41594_WT,High,ChEMBL30,CHEMBL3702378,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)c1,TVHHSACXCLHCRT,TVHHSACXCLHCRT-UHFFFAOYSA-N,"InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,5,19,6,4,18,20,15,14,28,27,10,7,3,16,17,21,8,26,11,22,9,13,12,25,2/E:(1,2)/rA:28COCCCCCCNCCONCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s22;s22;s13s17;s8w?26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-TVHHSACXCLHCRT_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702378,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)c1,TVHHSACXCLHCRT,TVHHSACXCLHCRT-UHFFFAOYSA-N,"InChI=1S/C23H24N2O3/c1-23(2,27)19-9-5-8-18-17(19)10-11-25-21(18)13-20(24-14-22(25)26)15-6-4-7-16(12-15)28-3/h4-9,12-13,27H,10-11,14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,5,19,6,4,18,20,15,14,28,27,10,7,3,16,17,21,8,26,11,22,9,13,12,25,2/E:(1,2)/rA:28COCCCCCCNCCONCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s22;s22;s13s17;s8w?26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TVIGPFLXIMDSMB_on_Q14416_WT,High,ChEMBL30,CHEMBL1669394,CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4cccnc4)nc3)c2)c1=O,TVIGPFLXIMDSMB,TVIGPFLXIMDSMB-UHFFFAOYSA-N,"InChI=1S/C23H20ClN3O2/c1-2-9-27-10-7-17-11-19(12-20(24)22(17)23(27)28)18-5-6-21(26-14-18)29-15-16-4-3-8-25-13-16/h3-8,10-14H,2,9,15H2,1H3","""AuxInfo=1/0/N:1,2,21,20,14,15,6,22,3,5,27,11,24,26,18,19,7,13,12,9,16,8,28,10,23,25,4,29,17/rA:29CCCNCCCCCClCCCCCCOCCCCCNCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;s7d12;s4s8;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-TVIKRNLSTSDXOX_on_Q14416_WT,High,ChEMBL30,CHEMBL2029817,CCCCn1ccc(-c2cc(Cl)c(Oc3c(C)nccc3)cc2)c(C#N)c1=O,TVIKRNLSTSDXOX,TVIKRNLSTSDXOX-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O2/c1-3-4-11-26-12-9-17(18(14-24)22(26)27)16-7-8-21(19(23)13-16)28-20-6-5-10-25-15(20)2/h5-10,12-13H,3-4,11H2,1-2H3","""AuxInfo=1/0/N:1,17,2,3,20,21,23,22,7,19,4,6,10,25,16,9,8,24,11,15,13,27,12,26,18,5,28,14/rA:28CCCCNCCCCCCClCOCCCNCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;d15;s16;s16;d18;s19;s15d20;s13;s9d22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-TVMWJBZCHSROEX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11381681;CHEMBL366242,CCOc1cc(Oc2cnccc2)cnc1Nc1cccc(C)n1,TVMWJBZCHSROEX,TVMWJBZCHSROEX-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-3-23-16-10-15(24-14-7-5-9-19-11-14)12-20-18(16)22-17-8-4-6-13(2)21-17/h4-12H,3H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,23,2,20,12,21,13,19,11,5,9,14,22,8,6,4,18,16,10,15,24,17,3,7/rA:24CCOCCCOCCNCCCCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d6;s14;s4d15;s16;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  7.745;  7.750,7.747999999999999,0.002,0.002,2.0,7.747999999999999,0.002
-TVPVWMGKTICQNO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108163,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F,TVPVWMGKTICQNO,TVPVWMGKTICQNO-UHFFFAOYSA-N,"InChI=1S/C23H22F5N3O2/c1-13-7-15(8-16(10-24)29-13)21-19-5-6-33-17(11-25)12-31(19)22(30-21)14-3-4-18(23(26,27)28)20(9-14)32-2/h3-4,7-9,17H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:12,1,27,28,19,20,10,17,4,15,23,25,11,5,9,14,22,29,18,3,8,6,30,16,24,31,32,33,13,7,26,2,21/E:(26,27,28)/rA:33COCCCCNCCCCCNCCFCCCCOCCFCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s23;s22;s6s18s25;d5;s27;s3d28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-TVQBBUXMWAXFBW_on_O00591_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_O14764_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P14867_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P18505_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P18507_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P28472_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P31644_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P34903_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P47869_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P47870_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P48169_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_P78334_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_Q16445_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQBBUXMWAXFBW_on_Q99928_WT,Low,ChEMBL30,CHEMBL328284,O=C1NC2CCCCC2N1c1nc2c(cccn2)o1,TVQBBUXMWAXFBW,TVQBBUXMWAXFBW-UHFFFAOYSA-N,"InChI=1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)","""AuxInfo=1/1/N:6,7,16,5,8,15,17,4,9,14,13,2,11,18,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCNO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TVQMFXVAQGMUTC_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010888,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1,TVQMFXVAQGMUTC,TVQMFXVAQGMUTC-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c19-15-6-7-16-17(14(15)12-22-8-10-23-11-9-22)21-18(20-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,20,21)","""AuxInfo=1/1/N:11,10,12,9,13,3,4,19,23,20,22,17,8,16,2,5,15,7,1,6,14,18,21/E:(2,3)(4,5)(8,9)(10,11)/rA:23FCCCCNCCCCCCCNCCCNCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-TVQMFXVAQGMUTC_on_Q13224_WT,High,ChEMBL30,CHEMBL2010888,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1,TVQMFXVAQGMUTC,TVQMFXVAQGMUTC-UHFFFAOYSA-N,"InChI=1S/C18H18FN3O/c19-15-6-7-16-17(14(15)12-22-8-10-23-11-9-22)21-18(20-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,20,21)","""AuxInfo=1/1/N:11,10,12,9,13,3,4,19,23,20,22,17,8,16,2,5,15,7,1,6,14,18,21/E:(2,3)(4,5)(8,9)(10,11)/rA:23FCCCCNCCCCCCCNCCCNCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-TVRQUBWQNLCNIH_on_O15399_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_O60391_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_Q05586_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_Q12879_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_Q13224_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVRQUBWQNLCNIH_on_Q14957_WT,Low,ChEMBL30,CHEMBL42694,Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1,TVRQUBWQNLCNIH,TVRQUBWQNLCNIH-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c1-8-3-2-4-9(5-8)12-14(19)13-11(18-15(12)20)6-10(16)7-17-13/h2-7H,1H3,(H2,18,19,20)","""AuxInfo=1/1/N:1,4,3,5,20,12,15,2,6,13,11,7,10,8,18,14,16,17,9,19/rA:20CCCCCCCCOCCCCClCNNCOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s13;s10d15;s11;s7d17;s18;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-TVTAFNGTDKKYNE_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403671;71712727,CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2,TVTAFNGTDKKYNE,TVTAFNGTDKKYNE-UHFFFAOYSA-N,"InChI=1S/C16H16N2S/c1-2-18-11-10-14-15(12-18)19-16(17-14)9-8-13-6-4-3-5-7-13/h3-7H,2,10-12H2,1H3","""AuxInfo=1/0/N:1,2,16,15,17,14,18,12,11,5,4,8,13,6,7,10,19,3,9/E:(4,5)(6,7)/rA:19CCNCCCCCSCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s3s7;s7;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252;PubChemAID:759035,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759035,2013;2014,1;0,0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-TVTRAZFYBFPXFI_on_P41594_WT,High,ChEMBL30,CHEMBL3603909,N#Cc1cccc(-c2cc(-n3cccn3)ncn2)c1,TVTRAZFYBFPXFI,TVTRAZFYBFPXFI-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-3-1-4-12(7-11)13-8-14(17-10-16-13)19-6-2-5-18-19/h1-8,10H","""AuxInfo=1/0/N:5,13,4,6,14,12,19,9,2,17,3,7,8,10,1,18,16,15,11/rA:19NCCCCCCCCCNCCCNNCNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;d12;s13;s11d14;d10;s16;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,0,0,0,1,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-TVUGVLXZOFJBCZ_on_Q13255_WT,High,ChEMBL30,CHEMBL568241,Cc1c(-c2cccc(C(=O)OC(C)C)c2)nnn1-c1cnccc1,TVUGVLXZOFJBCZ,TVUGVLXZOFJBCZ-UHFFFAOYSA-N,"InChI=1S/C18H18N4O2/c1-12(2)24-18(23)15-7-4-6-14(10-15)17-13(3)22(21-20-17)16-8-5-9-19-11-16/h4-12H,1-3H3","""AuxInfo=1/0/N:13,14,1,6,23,5,7,24,22,15,20,12,2,4,8,19,3,9,21,16,17,18,10,11/E:(1,2)/rA:24CCCCCCCCCOOCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s12;s4d8;s3;d16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-TVVKRRYSXWSDJT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3957006,CC1(C)COCCN1C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1,TVVKRRYSXWSDJT,TVVKRRYSXWSDJT-UHFFFAOYSA-N,"InChI=1S/C20H19ClN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,16,15,13,12,7,6,23,24,4,17,14,21,11,9,2,22,25,8,10,5/E:(1,2)/rA:25CCCCOCCNCOCCCCCCCCCCCClCCN/rB:s1;s2;s2;s4;s5;s6;s2s7;s8;d9;s9;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887807,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TVXWVEJQIZOHDS_on_P31644_WT,High,ChEMBL30,CHEMBL3681435,CCNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,TVXWVEJQIZOHDS,TVXWVEJQIZOHDS-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O3/c1-2-23-18(26)13-8-9-15(24-10-13)27-11-14-16(12-6-4-3-5-7-12)25-28-17(14)19(20,21)22/h3-10H,2,11H2,1H3,(H,23,26)","""AuxInfo=1/1/N:1,2,24,23,25,22,26,7,8,28,11,21,6,12,9,20,13,4,14,15,16,17,3,27,19,5,10,18/E:(4,5)(6,7)(20,21,22)/rA:28CCNCOCCCCOCCCCFFFONCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;s14;s14;s13;s18;s12d19;s20;d21;s22;d23;s24;s21d25;s9;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-TVYLWJFICSYNFD_on_P14867_WT,Low,ChEMBL30,CHEMBL204110,Cc1c(C2CCNCC2)snc1O,TVYLWJFICSYNFD,TVYLWJFICSYNFD-UHFFFAOYSA-N,"InChI=1S/C9H14N2OS/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)","""AuxInfo=1/1/N:1,5,9,6,8,2,4,3,12,7,11,13,10/E:(2,3)(4,5)/rA:13CCCCCCNCCSNCO/rB:s1;d2;s3;s4;s5;s6;s7;s4s8;s3;s10;s2d11;s12;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-TVYLWJFICSYNFD_on_P18507_WT,Low,ChEMBL30,CHEMBL204110,Cc1c(C2CCNCC2)snc1O,TVYLWJFICSYNFD,TVYLWJFICSYNFD-UHFFFAOYSA-N,"InChI=1S/C9H14N2OS/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)","""AuxInfo=1/1/N:1,5,9,6,8,2,4,3,12,7,11,13,10/E:(2,3)(4,5)/rA:13CCCCCCNCCSNCO/rB:s1;d2;s3;s4;s5;s6;s7;s4s8;s3;s10;s2d11;s12;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-TVYLWJFICSYNFD_on_P28472_WT,Low,ChEMBL30,CHEMBL204110,Cc1c(C2CCNCC2)snc1O,TVYLWJFICSYNFD,TVYLWJFICSYNFD-UHFFFAOYSA-N,"InChI=1S/C9H14N2OS/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)","""AuxInfo=1/1/N:1,5,9,6,8,2,4,3,12,7,11,13,10/E:(2,3)(4,5)/rA:13CCCCCCNCCSNCO/rB:s1;d2;s3;s4;s5;s6;s7;s4s8;s3;s10;s2d11;s12;/rC:;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-TWDISXDNMABOAR_on_Q14416_WT,High,ChEMBL30,CHEMBL2206441,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cc(F)cc1,TWDISXDNMABOAR,TWDISXDNMABOAR-UHFFFAOYSA-N,"InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,28,29,6,24,22,7,23,21,16,25,17,5,26,4,9,3,15,10,12,11,27,14,13,8,20,2/E:(2,3)(6,7)(9,10)/rA:29COCCCCCNCCClCNNCCCCCNCCCCCCFCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;d25;s26;s26;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215921;CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,1;0,0;1,0,0,0,,=,  7.950;  8.090,8.02,0.07,0.07,2.0,8.02,0.07
-TWEHBUVPUDVXNR_on_P41594_WT,High,ChEMBL30,CHEMBL2151623,O=C(N1CCC(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,TWEHBUVPUDVXNR,TWEHBUVPUDVXNR-UHFFFAOYSA-N,"InChI=1S/C17H18ClFN4O2/c18-13-3-1-2-11(8-13)15-20-16(25-21-15)12-9-23(10-12)17(24)22-6-4-14(19)5-7-22/h1-3,8,12,14H,4-7,9-10H2","""AuxInfo=1/0/N:18,17,19,5,8,4,9,22,11,25,16,12,20,6,15,13,2,21,7,14,23,3,10,1,24/E:(4,5)(6,7)(9,10)/rA:25OCNCCCFCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s6;s3s8;s2;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-TWPFFXACUSHVTJ_on_P41594_WT,High,ChEMBL30,CHEMBL2346721,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(Cl)n1,TWPFFXACUSHVTJ,TWPFFXACUSHVTJ-UHFFFAOYSA-N,"InChI=1S/C16H13ClFN5O/c1-9-13(15(24)20-12-7-8-19-16(17)21-12)22-23(2)14(9)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,6,9,19,20,2,4,7,18,14,3,15,22,23,8,21,17,24,13,11,16/E:(3,4)(5,6)/rA:24CCCCCCCFCCNCNCCONCCCNCClN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-TWPMETSQTAHQLU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110690,CC1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1,TWPMETSQTAHQLU,TWPMETSQTAHQLU-UHFFFAOYSA-N,"InChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30)","""AuxInfo=1/1/N:1,7,8,25,18,15,12,3,5,26,2,6,9,10,24,19,11,27,14,20,28,16,29,30,31,21,13,23,4,22,32,17/E:(23,24,25)/rA:32CCCNCCCCCCCCNCCFSCCCNONCCCCCFFFO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s11s14;d10;s18;s19;s20;d20;d19;s9s23;s6d24;s4;s26;s27;s28;s28;s28;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-TWQDMCPDTPVCQP_on_O00591_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_O14764_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P14867_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P18505_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P18507_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P28472_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P31644_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P34903_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P47869_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P47870_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P48169_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_P78334_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_Q16445_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWQDMCPDTPVCQP_on_Q99928_WT,Low,ChEMBL30,CHEMBL89215,CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1,TWQDMCPDTPVCQP,TWQDMCPDTPVCQP-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-9-7-13(8-10-14)5-4-6-16(19)20/h7-10,15,17H,6,11-12H2,1-3H3,(H,19,20)","""AuxInfo=1/1/N:1,3,4,14,13,15,11,19,10,20,6,22,12,9,5,16,8,2,17,18,7,21/E:(1,2,3)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:22CCCCCCSCCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;d16;s16;s12;s9d19;s8;s5s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-TWSNBRCTNUIBRT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3965291,O=C(Nc1cn(S(=O)(=O)c2ccc(F)cc2F)nc1)c1ccccn1,TWSNBRCTNUIBRT,TWSNBRCTNUIBRT-UHFFFAOYSA-N,"InChI=1S/C15H10F2N4O3S/c16-10-4-5-14(12(17)7-10)25(23,24)21-9-11(8-19-21)20-15(22)13-3-1-2-6-18-13/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,12,11,24,15,19,5,13,4,16,20,10,2,14,17,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCFCCFNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.790,5.79,0.0,0.0,1.0,5.79,0.0
-TWSSCEDFIRFLNF_on_P31644_WT,High,ChEMBL30,CHEMBL3681608;CHEMBL3681609,O=C(NC1CCCC1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,TWSSCEDFIRFLNF,TWSSCEDFIRFLNF-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-16-7-4-13(5-8-16)20-15(12-29-25-20)11-28-19-9-6-14(10-23-19)21(27)24-17-2-1-3-18(17)26/h4-10,12,17-18,26H,1-3,11H2,(H,24,27)","""AuxInfo=1/1/N:6,5,7,22,27,11,23,26,12,29,15,17,21,10,16,24,4,8,13,20,2,25,28,3,19,9,1,14,18/E:(4,5)(7,8)/rA:29OCNCCCCCOCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.750;  7.650,7.7,0.05,0.05,2.0,7.7,0.05
-TWSTVDPXWQPIIM_on_P18507_WT,Low,ChEMBL30,CHEMBL1631466,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1,TWSTVDPXWQPIIM,TWSTVDPXWQPIIM-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-9,11H,1,4-5,10H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,23,8,10,16,18,22,24,11,7,15,19,12,3,2,14,20,4,1,21,25,13,6,5/E:(4,5)(8,9)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1638617;CHEMBL1638616;CHEMBL1638618;CHEMBL1638615;CHEMBL1638614,PMID:20980155,2010.0,PMID:20980155,2010,0,0;1;0;1;1,0,1;0;1;0;0,0,,=,  7.850;  6.690;  8.080;  7.110;  7.470,7.44,0.5,0.25,5.0,7.47,0.38
-TWSTVDPXWQPIIM_on_P28472_WT,Low,ChEMBL30,CHEMBL1631466,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1,TWSTVDPXWQPIIM,TWSTVDPXWQPIIM-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-9,11H,1,4-5,10H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,23,8,10,16,18,22,24,11,7,15,19,12,3,2,14,20,4,1,21,25,13,6,5/E:(4,5)(8,9)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1638617;CHEMBL1638618;CHEMBL1638616;CHEMBL1638614;CHEMBL1638615,PMID:20980155,2010.0,PMID:20980155,2010,0,0;0;1;1;1,0,1;1;0;0;0,0,,=,  7.850;  8.080;  6.690;  7.470;  7.110,7.44,0.5,0.25,5.0,7.47,0.38
-TWSTVDPXWQPIIM_on_P31644_WT,Low,ChEMBL30,CHEMBL1631466,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1,TWSTVDPXWQPIIM,TWSTVDPXWQPIIM-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-9,11H,1,4-5,10H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,23,8,10,16,18,22,24,11,7,15,19,12,3,2,14,20,4,1,21,25,13,6,5/E:(4,5)(8,9)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1638617;CHEMBL1638616,PMID:20980155,2010.0,PMID:20980155,2010,0,0;1,0,1;0,0,,=,  7.850;  6.690,7.27,0.58,0.58,2.0,7.27,0.58
-TWSTVDPXWQPIIM_on_P34903_WT,Low,ChEMBL30,CHEMBL1631466,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1,TWSTVDPXWQPIIM,TWSTVDPXWQPIIM-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-9,11H,1,4-5,10H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,23,8,10,16,18,22,24,11,7,15,19,12,3,2,14,20,4,1,21,25,13,6,5/E:(4,5)(8,9)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1638615,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-TWSTVDPXWQPIIM_on_P47869_WT,Low,ChEMBL30,CHEMBL1631466,Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1,TWSTVDPXWQPIIM,TWSTVDPXWQPIIM-UHFFFAOYSA-N,"InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-9,11H,1,4-5,10H2,(H2,20,23)","""AuxInfo=1/1/N:9,17,23,8,10,16,18,22,24,11,7,15,19,12,3,2,14,20,4,1,21,25,13,6,5/E:(4,5)(8,9)(21,22)/rA:25NCCCONCCCCCCNCCCCCCCNCCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s7s9;s6;s3s11;d12;s13;s2d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1638618;CHEMBL1638614,PMID:20980155,2010.0,PMID:20980155,2010,0,0;1,0,1;0,0,,=,  8.080;  7.470,7.775,0.305,0.305,2.0,7.775,0.305
-TWWYTHKALZPAEZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681562,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2cc(F)ccc2F)no1,TWWYTHKALZPAEZ,TWWYTHKALZPAEZ-UHFFFAOYSA-N,"InChI=1S/C20H19F2N3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-8-14(21)5-6-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:14,15,1,8,23,24,7,20,16,4,13,2,9,21,19,3,25,6,18,10,22,26,17,12,27,11,5,28/E:(1,2)/rA:28CCCCOCCCCCONCCCCNCCCCFCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;s21;d21;s23;s19d24;s25;d18;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-TWXFCHIWVYOCEG_on_P41594_WT,High,ChEMBL30,CHEMBL4064010,N#Cc1cc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)ccc1,TWXFCHIWVYOCEG,TWXFCHIWVYOCEG-UHFFFAOYSA-N,"InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2","""AuxInfo=1/0/N:23,22,24,27,21,25,28,26,4,19,9,2,6,17,15,20,3,5,18,13,8,10,1,14,12,11,16,7/E:(2,3)(5,6)/rA:28NCCCCCOCCCONCNCOCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s12s17;s18;s19;d20;s21;d22;s23;s20d24;d5;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-TXBHFYXLZAIJFF_on_P31644_WT,High,ChEMBL30,CHEMBL3676527,Cc1c(COc2ccc(C(=O)NCC3CCOC3)cn2)c(-c2ccccc2)no1,TXBHFYXLZAIJFF,TXBHFYXLZAIJFF-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-15-19(21(25-29-15)17-5-3-2-4-6-17)14-28-20-8-7-18(12-23-20)22(26)24-11-16-9-10-27-13-16/h2-8,12,16H,9-11,13-14H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,25,24,26,23,27,8,7,15,16,13,19,18,4,2,14,22,9,3,6,21,10,20,12,28,11,17,5,29/E:(3,4)(5,6)/rA:29CCCCOCCCCCONCCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-TXDFXGVIEUTVON_on_P18507_WT,Low,ChEMBL30,CHEMBL577279,Cc1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,TXDFXGVIEUTVON,TXDFXGVIEUTVON-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-19-7-14-10(2)17-8-20(14)13-4-3-11(16)5-12(13)15(19)18-9/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:1,8,17,18,14,3,5,10,2,7,15,13,12,6,19,16,9,20,4,11/rA:20CCCNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-TXDFXGVIEUTVON_on_P28472_WT,Low,ChEMBL30,CHEMBL577279,Cc1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,TXDFXGVIEUTVON,TXDFXGVIEUTVON-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-19-7-14-10(2)17-8-20(14)13-4-3-11(16)5-12(13)15(19)18-9/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:1,8,17,18,14,3,5,10,2,7,15,13,12,6,19,16,9,20,4,11/rA:20CCCNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-TXDFXGVIEUTVON_on_P31644_WT,Low,ChEMBL30,CHEMBL577279,Cc1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,TXDFXGVIEUTVON,TXDFXGVIEUTVON-UHFFFAOYSA-N,"InChI=1S/C15H13BrN4/c1-9-6-19-7-14-10(2)17-8-20(14)13-4-3-11(16)5-12(13)15(19)18-9/h3-6,8H,7H2,1-2H3","""AuxInfo=1/0/N:1,8,17,18,14,3,5,10,2,7,15,13,12,6,19,16,9,20,4,11/rA:20CCCNCCCCNCNCCCCBrCCCN/rB:s1;d2;s3;s4;s5;d6;s7;s7;d9;s6s10;s11;d12;s13;d14;s15;s15;s12d17;s4s13;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-TXDZPPOTQGXVDR_on_P41594_WT,High,ChEMBL30,CHEMBL3970189,O=C1NC(c2cncc(C#CC3COC3)c2)C(c2cccc(F)c2)O1,TXDZPPOTQGXVDR,TXDZPPOTQGXVDR-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O3/c20-16-3-1-2-14(7-16)18-17(22-19(23)25-18)15-6-12(8-21-9-15)4-5-13-10-24-11-13/h1-3,6-9,13,17-18H,10-11H2,(H,22,23)","""AuxInfo=1/1/N:20,19,21,10,11,16,24,8,6,13,15,9,12,18,5,22,4,17,2,23,7,3,1,14,25/E:(10,11)/rA:25OCNCCCNCCCCCCOCCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s12s14;s5d9;s4;s17;d18;s19;d20;s21;s22;s18d22;s2s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-TXGGVBSAKFDBNT_on_P41594_WT,High,ChEMBL30,CHEMBL3603920,N#Cc1cc(Cl)c(F)c(-c2cc(-c3ncccc3)ncn2)c1,TXGGVBSAKFDBNT,TXGGVBSAKFDBNT-UHFFFAOYSA-N,"InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H","""AuxInfo=1/0/N:17,16,18,15,22,4,11,2,20,3,9,5,13,10,12,7,6,8,1,14,21,19/rA:22NCCCCClCFCCCCCNCCCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s7;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s10d20;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  8.800;  8.900,8.85,0.05,0.05,2.0,8.85,0.05
-TXIAGDTYGRTGNY_on_P41594_WT,High,ChEMBL30,CHEMBL179387,CNc1ncc(Cl)nc1C(=O)Nc1ncccc1,TXIAGDTYGRTGNY,TXIAGDTYGRTGNY-UHFFFAOYSA-N,"InChI=1S/C11H10ClN5O/c1-13-10-9(16-7(12)6-15-10)11(18)17-8-4-2-3-5-14-8/h2-6H,1H3,(H,13,15)(H,14,17,18)","""AuxInfo=1/1/N:1,17,16,18,15,5,6,13,9,3,10,7,2,14,4,8,12,11/rA:18CNCNCCClNCCONCNCCCC/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-TXJLIIKLVOSACS_on_P31644_WT,High,ChEMBL30,CHEMBL3676460,CNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,TXJLIIKLVOSACS,TXJLIIKLVOSACS-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-12-15(17(21-24-12)13-6-4-3-5-7-13)11-23-16-9-8-14(10-20-16)18(22)19-2/h3-10H,11H2,1-2H3,(H,19,22)","""AuxInfo=1/1/N:13,1,20,19,21,18,22,6,7,24,10,12,17,5,11,8,16,3,2,23,15,4,9,14/E:(4,5)(6,7)/rA:24CNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-TXMQCTWFGCLXEB_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL183541;11625861,CCCC1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,TXMQCTWFGCLXEB,TXMQCTWFGCLXEB-UHFFFAOYSA-N,"InChI=1S/C20H18Cl2N4O2/c1-2-3-13-8-14-9-15(17(21)18(22)16(14)19(13)27)28-10-11-4-6-12(7-5-11)20-23-25-26-24-20/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,2,3,18,27,19,26,5,28,16,17,20,4,6,14,7,12,10,8,21,13,11,22,25,23,24,9,15/E:(4,5)(6,7)(23,24)(25,26)/rA:28CCCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;s12;s14;s15;s16;d17;s18;d19;s20;d21;s22;s23;s21d24;s20;s17d26;s6d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.550;  6.550,6.55,0.0,0.0,2.0,6.55,0.0
-TXNDLRUNCXZKOT_on_P41594_WT,High,ChEMBL30,CHEMBL2365366,CC1CC1C(=O)Nc1c(-c2ccccn2)c(-c2cc3cn(C)nc3cc2)ns1,TXNDLRUNCXZKOT,TXNDLRUNCXZKOT-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-12-9-15(12)20(27)23-21-18(17-5-3-4-8-22-17)19(25-28-21)13-6-7-16-14(10-13)11-26(2)24-16/h3-8,10-12,15H,9H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,22,12,13,11,26,25,14,3,18,20,2,17,19,4,24,10,9,16,5,8,15,7,23,27,21,6,28/rA:28CCCCCONCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s16;d17;s18;d19;s20;s21;s21;s19d23;s24;s17d25;d16;s8s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-TXNDLRUNCXZKOT_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67103556;CHEMBL2365366,CC1CC1C(=O)Nc1c(-c2ccccn2)c(-c2cc3cn(C)nc3cc2)ns1,TXNDLRUNCXZKOT,TXNDLRUNCXZKOT-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-12-9-15(12)20(27)23-21-18(17-5-3-4-8-22-17)19(25-28-21)13-6-7-16-14(10-13)11-26(2)24-16/h3-8,10-12,15H,9H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,22,12,13,11,26,25,14,3,18,20,2,17,19,4,24,10,9,16,5,8,15,7,23,27,21,6,28/rA:28CCCCCONCCCCCCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s16;d17;s18;d19;s20;s21;s21;s19d23;s24;s17d25;d16;s8s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  6.623;  6.620,6.622000000000001,0.002,0.002,2.0,6.622000000000001,0.002
-TXODBIOSWNNKJM_on_P14867_WT,Low,ChEMBL30,CHEMBL32991,Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br,TXODBIOSWNNKJM,TXODBIOSWNNKJM-UHFFFAOYSA-N,"InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H","""AuxInfo=1/0/N:12,13,9,16,10,14,4,3,7,17,5,2,11,15,8,18,6,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18OCCCCOCBrCCBrCCCBrCCBr/rB:s1;d2;s3;d4;s5;s5;s7;d7;s9;s10;s4d10;s3;d13;s14;s14;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4219573;CHEMBL4219574,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  6.500;  6.140,6.32,0.18,0.18,2.0,6.32,0.18
-TXODBIOSWNNKJM_on_P18505_WT,Low,ChEMBL30,CHEMBL32991,Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br,TXODBIOSWNNKJM,TXODBIOSWNNKJM-UHFFFAOYSA-N,"InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H","""AuxInfo=1/0/N:12,13,9,16,10,14,4,3,7,17,5,2,11,15,8,18,6,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18OCCCCOCBrCCBrCCCBrCCBr/rB:s1;d2;s3;d4;s5;s5;s7;d7;s9;s10;s4d10;s3;d13;s14;s14;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4219573,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-TXODBIOSWNNKJM_on_P18507_WT,Low,ChEMBL30,CHEMBL32991,Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br,TXODBIOSWNNKJM,TXODBIOSWNNKJM-UHFFFAOYSA-N,"InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H","""AuxInfo=1/0/N:12,13,9,16,10,14,4,3,7,17,5,2,11,15,8,18,6,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18OCCCCOCBrCCBrCCCBrCCBr/rB:s1;d2;s3;d4;s5;s5;s7;d7;s9;s10;s4d10;s3;d13;s14;s14;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4219574;CHEMBL4219575;CHEMBL4219573,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  6.140;  5.970;  6.500,6.202999999999999,0.221,0.156,3.0,6.14,0.17
-TXODBIOSWNNKJM_on_P47869_WT,Low,ChEMBL30,CHEMBL32991,Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br,TXODBIOSWNNKJM,TXODBIOSWNNKJM-UHFFFAOYSA-N,"InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H","""AuxInfo=1/0/N:12,13,9,16,10,14,4,3,7,17,5,2,11,15,8,18,6,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18OCCCCOCBrCCBrCCCBrCCBr/rB:s1;d2;s3;d4;s5;s5;s7;d7;s9;s10;s4d10;s3;d13;s14;s14;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4219575,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-TXODBIOSWNNKJM_on_P47870_WT,Low,ChEMBL30,CHEMBL32991,Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br,TXODBIOSWNNKJM,TXODBIOSWNNKJM-UHFFFAOYSA-N,"InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H","""AuxInfo=1/0/N:12,13,9,16,10,14,4,3,7,17,5,2,11,15,8,18,6,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18OCCCCOCBrCCBrCCCBrCCBr/rB:s1;d2;s3;d4;s5;s5;s7;d7;s9;s10;s4d10;s3;d13;s14;s14;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4219574;CHEMBL4219575,PMID:28606760,2017.0,PMID:28606760,2017,0,1,0,0,0,,=,  6.140;  5.970,6.055,0.085,0.085,2.0,6.055,0.085
-TXPKEBVGMYWHJR_on_P14867_WT,Low,ChEMBL30,CHEMBL1783216;CHEMBL1783217,CC(C#N)=C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,TXPKEBVGMYWHJR,TXPKEBVGMYWHJR-UHFFFAOYSA-N,"InChI=1S/C22H31NO2/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h14-16,18,20,24H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,19,25,11,10,6,7,16,17,13,23,3,2,12,14,9,5,8,21,20,18,24,4,15,22/rA:25CCCNCCCCCCCCCCOCCCCCCOCCC/rB:s1;s2;t3;w?2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s14;s16;s12s17;s18;s9s18;s20;d21;s21;s5s8s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.200;  5.740,5.97,0.23,0.23,2.0,5.97,0.23
-TXPKEBVGMYWHJR_on_P18507_WT,Low,ChEMBL30,CHEMBL1783216;CHEMBL1783217,CC(C#N)=C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,TXPKEBVGMYWHJR,TXPKEBVGMYWHJR-UHFFFAOYSA-N,"InChI=1S/C22H31NO2/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h14-16,18,20,24H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,19,25,11,10,6,7,16,17,13,23,3,2,12,14,9,5,8,21,20,18,24,4,15,22/rA:25CCCNCCCCCCCCCCOCCCCCCOCCC/rB:s1;s2;t3;w?2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s14;s16;s12s17;s18;s9s18;s20;d21;s21;s5s8s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.200;  5.740,5.97,0.23,0.23,2.0,5.97,0.23
-TXPKEBVGMYWHJR_on_P47870_WT,Low,ChEMBL30,CHEMBL1783216;CHEMBL1783217,CC(C#N)=C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,TXPKEBVGMYWHJR,TXPKEBVGMYWHJR-UHFFFAOYSA-N,"InChI=1S/C22H31NO2/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h14-16,18,20,24H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,19,25,11,10,6,7,16,17,13,23,3,2,12,14,9,5,8,21,20,18,24,4,15,22/rA:25CCCNCCCCCCCCCCOCCCCCCOCCC/rB:s1;s2;t3;w?2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s14;s16;s12s17;s18;s9s18;s20;d21;s21;s5s8s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.200;  5.740,5.97,0.23,0.23,2.0,5.97,0.23
-TXPKVAPIGMNWBO_on_Q13255_WT,High,ChEMBL30,CHEMBL2418370,CC1(C(=O)N2CC3CN(c4ccccn4)CC3C2)CCCCC1,TXPKVAPIGMNWBO,TXPKVAPIGMNWBO-UHFFFAOYSA-N,"InChI=1S/C19H27N3O/c1-19(8-4-2-5-9-19)18(23)22-13-15-11-21(12-16(15)14-22)17-7-3-6-10-20-17/h3,6-7,10,15-16H,2,4-5,8-9,11-14H2,1H3","""AuxInfo=1/0/N:1,21,12,20,22,13,11,19,23,14,8,16,6,18,7,17,10,3,2,15,9,5,4/E:(4,5)(8,9)(11,12)(13,14)(15,16)/rA:23CCCONCCCNCCCCCNCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;s5s17;s2;s19;s20;s21;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  5.290;  5.290,5.29,0.0,0.0,2.0,5.29,0.0
-TXPXZBKJODPCTK_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109391;CHEMBL221605,O=C(OCc1ccccc1F)N1CCC(CNc2ncccn2)CC1,TXPXZBKJODPCTK,TXPXZBKJODPCTK-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c19-16-5-2-1-4-15(16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-3-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)","""AuxInfo=1/1/N:7,8,21,6,9,14,24,20,22,13,25,16,4,15,5,10,18,2,11,19,23,17,12,1,3/E:(6,7)(8,9)(10,11)(20,21)/rA:25OCOCCCCCCCFNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  7.745;  7.750,7.747999999999999,0.002,0.002,2.0,7.747999999999999,0.002
-TXZSFSUQFBGDQY_on_P31644_WT,High,ChEMBL30,CHEMBL3681514,Cc1c(COc2ccc(C(=O)NCCN3CCNC3=O)cn2)c(-c2ccccc2)no1,TXZSFSUQFBGDQY,TXZSFSUQFBGDQY-UHFFFAOYSA-N,"InChI=1S/C22H23N5O4/c1-15-18(20(26-31-15)16-5-3-2-4-6-16)14-30-19-8-7-17(13-25-19)21(28)23-9-11-27-12-10-24-22(27)29/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29)","""AuxInfo=1/1/N:1,27,26,28,25,29,8,7,13,17,14,16,21,4,2,24,9,3,6,23,10,19,12,18,22,30,15,11,20,5,31/E:(3,4)(5,6)/rA:31CCCCOCCCCCONCCNCCNCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s15s18;d19;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;d23;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-TYCBGPBQBPMPFI_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46225407;CHEMBL593532,Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cc(F)cc2,TYCBGPBQBPMPFI,TYCBGPBQBPMPFI-UHFFFAOYSA-N,"InChI=1S/C19H18ClF4N5/c1-27-15-10-12(21)2-4-14(15)25-17(27)11-28-6-8-29(9-7-28)18-13(19(22,23)24)3-5-16(20)26-18/h2-5,10H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,28,14,29,13,6,21,7,20,25,4,26,15,23,24,11,3,9,16,12,27,17,18,19,22,10,2,5,8/E:(6,7)(8,9)(22,23,24)/rA:29CNCCNCCNCNCClCCCCFFFCCNCCCCFCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s15;s16;s16;s16;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:453995;CHEMBL1071915,PMID:20005096,2010.0,PubChemAID:453995;PMID:20005096,2010,0,0;1,0,0,1;0,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-TYDSNTMUQPPTLL_on_O15399_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_O60391_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_Q05586_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_Q12879_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_Q13224_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYDSNTMUQPPTLL_on_Q14957_WT,Low,ChEMBL30,CHEMBL28651,CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1,TYDSNTMUQPPTLL,TYDSNTMUQPPTLL-UHFFFAOYSA-N,"InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,18,17,5,23,4,24,19,9,21,8,22,13,11,12,6,3,16,15,20,14,10,7,2/E:(4,5)(6,7)(9,10)(11,12)/rA:24CSCCCCNCCNCCCNCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s18;s15d19;s10;s7s21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751684,PMID:11378358,2001.0,PMID:11378358,2001,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYNJJSYEYSSCMU_on_P41594_WT,High,ChEMBL30,CHEMBL3644370,CCc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,TYNJJSYEYSSCMU,TYNJJSYEYSSCMU-UHFFFAOYSA-N,"InChI=1S/C22H19FN6O/c1-2-20-26-13-29(27-20)21-10-18-17-5-3-4-15(14-6-7-19(23)24-11-14)16(17)8-9-28(18)22(30)12-25-21/h3-7,10-11,13H,2,8-9,12H2,1H3","""AuxInfo=1/0/N:1,2,17,18,16,21,22,13,12,28,26,8,29,20,19,14,15,27,23,3,6,9,24,25,7,30,4,11,5,10/rA:30CCCNNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-TYNJJSYEYSSCMU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644370,CCc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1,TYNJJSYEYSSCMU,TYNJJSYEYSSCMU-UHFFFAOYSA-N,"InChI=1S/C22H19FN6O/c1-2-20-26-13-29(27-20)21-10-18-17-5-3-4-15(14-6-7-19(23)24-11-14)16(17)8-9-28(18)22(30)12-25-21/h3-7,10-11,13H,2,8-9,12H2,1H3","""AuxInfo=1/0/N:1,2,17,18,16,21,22,13,12,28,26,8,29,20,19,14,15,27,23,3,6,9,24,25,7,30,4,11,5,10/rA:30CCCNNCNCCONCCCCCCCCCCCCFNCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s23;s20d25;s11s15;s6w?27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TYNRSAJVNXKENV_on_Q14833_WT,High,ChEMBL30,CHEMBL475801,Cc1c(NN=Cc2ccccc2)nc2ccccc2n1,TYNRSAJVNXKENV,TYNRSAJVNXKENV-UHFFFAOYSA-N,"InChI=1S/C16H14N4/c1-12-16(19-15-10-6-5-9-14(15)18-12)20-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,10,9,11,17,16,8,12,18,15,6,2,7,19,14,3,5,20,13,4/E:(3,4)(7,8)/rA:20CCCNNCCCCCCCNCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;s3;d13;s14;d15;s16;d17;s14s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL948800,PMID:19097893,2009.0,PMID:19097893,2009,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-TYOPHGCCSXAFDA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3935571,COc1cc(C)c(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(C)c1,TYOPHGCCSXAFDA,TYOPHGCCSXAFDA-UHFFFAOYSA-N,"InChI=1S/C26H26N4O2/c1-15-9-20(32-4)10-16(2)25(15)22-12-24(26(27)31)30-23-11-18(7-8-21(22)23)5-6-19-13-28-17(3)29-14-19/h7-14H,5-6H2,1-4H3,(H2,27,31)","""AuxInfo=1/1/N:6,31,26,1,20,21,18,17,4,32,29,9,23,28,5,30,25,19,22,3,16,8,15,10,7,11,12,24,27,14,13,2/E:(1,2)(9,10)(13,14)(15,16)(28,29)/rA:32COCCCCCCCCCNONCCCCCCCCCNCCNCCCCC/rB:s1;s2;d3;s4;s5;d5;s7;d8;s9;s10;s11;d11;d10;s14;s8d15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s25;s22d27;s15d19;s7;s30;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-TYQALPRXQVNVCP_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010885,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1,TYQALPRXQVNVCP,TYQALPRXQVNVCP-UHFFFAOYSA-N,"InChI=1S/C20H22FN3/c21-17-10-11-18-19(16(17)14-24-12-6-1-2-7-13-24)23-20(22-18)15-8-4-3-5-9-15/h3-5,8-11H,1-2,6-7,12-14H2,(H,22,23)","""AuxInfo=1/1/N:21,22,11,10,12,20,23,9,13,3,4,19,24,17,8,16,2,5,15,7,1,6,14,18/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:24FCCCCNCCCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-TYQALPRXQVNVCP_on_Q13224_WT,High,ChEMBL30,CHEMBL2010885,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1,TYQALPRXQVNVCP,TYQALPRXQVNVCP-UHFFFAOYSA-N,"InChI=1S/C20H22FN3/c21-17-10-11-18-19(16(17)14-24-12-6-1-2-7-13-24)23-20(22-18)15-8-4-3-5-9-15/h3-5,8-11H,1-2,6-7,12-14H2,(H,22,23)","""AuxInfo=1/1/N:21,22,11,10,12,20,23,9,13,3,4,19,24,17,8,16,2,5,15,7,1,6,14,18/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:24FCCCCNCCCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-TYRNWWPPNWABJI_on_Q13255_WT,High,ChEMBL30,CHEMBL3634441,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c3ccccc23)occ1,TYRNWWPPNWABJI,TYRNWWPPNWABJI-UHFFFAOYSA-N,"InChI=1S/C24H16N2O4/c1-14-12-13-30-21(14)22(27)25-19-10-11-20(16-7-3-2-6-15(16)19)26-23(28)17-8-4-5-9-18(17)24(26)29/h2-13H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,25,24,17,18,26,23,16,19,8,9,30,29,2,27,22,15,14,7,10,3,4,20,12,6,11,5,21,13,28/E:(4,5)(8,9)(17,18)(23,24)(28,29)/rA:30CCCCONCCCCNCOCCCCCCCOCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;d22;s23;d24;s25;s7s22d26;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.700;  7.690,7.695,0.005,0.005,2.0,7.695,0.005
-TYRNWWPPNWABJI_on_Q14833_WT,High,ChEMBL30,CHEMBL3634441,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c3ccccc23)occ1,TYRNWWPPNWABJI,TYRNWWPPNWABJI-UHFFFAOYSA-N,"InChI=1S/C24H16N2O4/c1-14-12-13-30-21(14)22(27)25-19-10-11-20(16-7-3-2-6-15(16)19)26-23(28)17-8-4-5-9-18(17)24(26)29/h2-13H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,25,24,17,18,26,23,16,19,8,9,30,29,2,27,22,15,14,7,10,3,4,20,12,6,11,5,21,13,28/E:(4,5)(8,9)(17,18)(23,24)(28,29)/rA:30CCCCONCCCCNCOCCCCCCCOCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;d22;s23;d24;s25;s7s22d26;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-TYRVSFQDVZAMBW_on_P41594_WT,High,ChEMBL30,CHEMBL3898720,CC(Oc1nnc(-c2cc(=O)n(C)cc2)n1C)c1noc(-c2cc(Cl)ccc2)c1,TYRVSFQDVZAMBW,TYRVSFQDVZAMBW-UHFFFAOYSA-N,"InChI=1S/C20H18ClN5O3/c1-12(16-11-17(29-24-16)13-5-4-6-15(21)9-13)28-20-23-22-19(26(20)3)14-7-8-25(2)18(27)10-14/h4-12H,1-3H3","""AuxInfo=1/0/N:1,13,17,27,28,26,15,14,23,9,29,2,22,8,24,18,21,10,7,4,25,6,5,19,12,16,11,3,20/rA:29CCOCNNCCCCONCCCNCCNOCCCCClCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s10;s12;s12;s8d14;s4s7;s16;s2;d18;s19;s20;s21;d22;s23;s24;d24;s26;s22d27;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-TYWLMLPPMXWFPX_on_Q13224_WT,High,ChEMBL30,CHEMBL3936854,Cn1cc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1,TYWLMLPPMXWFPX,TYWLMLPPMXWFPX-UHFFFAOYSA-N,"InChI=1S/C15H13ClF2N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3","""AuxInfo=1/0/N:1,10,11,19,22,20,3,5,7,4,9,8,12,14,16,13,17,18,23,21,2,6,15/E:(17,18)/rA:23CNCCCNCCCCCCClCOCFFCCNCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s12;s14;s15;s16;s16;s9d14;s8;s6d20;s4;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-TYYBKQGONXRWMK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL196343;44403641,C(#Cc1ncccc1)C1=CC(Sc2cc3c(cccc3)cc2)CCC1,TYYBKQGONXRWMK,TYYBKQGONXRWMK-UHFFFAOYSA-N,"InChI=1S/C23H19NS/c1-2-8-20-17-23(14-12-19(20)7-1)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-4,7-9,12,14-17,22H,5-6,10H2","""AuxInfo=1/0/N:18,19,7,6,24,25,17,20,8,23,1,21,2,22,5,10,14,9,16,15,3,11,13,4,12/rA:25CCCNCCCCCCCSCCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;d13;s14;d15;s16;d17;s18;s15d19;s16;s13d21;s11;s23;s9s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882;PubChemAID:255928,PMID:16115767,2005.0,PMID:16115767;PubChemAID:255928,2005;2010,1;0,0,0,0,0;1,,=,  6.670;  6.672,6.671,0.001,0.001,2.0,6.671,0.001
-TZAVGKNCJLWMIC_on_P18507_WT,Low,ChEMBL30,CHEMBL381987,Cc1cc2ncc(-c3cccc(-c4cccnc4)c3)n2cc1,TZAVGKNCJLWMIC,TZAVGKNCJLWMIC-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-14-7-9-22-18(13-21-19(22)10-14)16-5-2-4-15(11-16)17-6-3-8-20-12-17/h2-13H,1H3","""AuxInfo=1/0/N:1,10,15,11,9,14,22,16,21,3,19,18,6,2,12,8,13,7,4,17,5,20/rA:22CCCCNCCCCCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s4s7;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-TZAVGKNCJLWMIC_on_P28472_WT,Low,ChEMBL30,CHEMBL381987,Cc1cc2ncc(-c3cccc(-c4cccnc4)c3)n2cc1,TZAVGKNCJLWMIC,TZAVGKNCJLWMIC-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-14-7-9-22-18(13-21-19(22)10-14)16-5-2-4-15(11-16)17-6-3-8-20-12-17/h2-13H,1H3","""AuxInfo=1/0/N:1,10,15,11,9,14,22,16,21,3,19,18,6,2,12,8,13,7,4,17,5,20/rA:22CCCCNCCCCCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s4s7;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-TZAVGKNCJLWMIC_on_P34903_WT,Low,ChEMBL30,CHEMBL381987,Cc1cc2ncc(-c3cccc(-c4cccnc4)c3)n2cc1,TZAVGKNCJLWMIC,TZAVGKNCJLWMIC-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-14-7-9-22-18(13-21-19(22)10-14)16-5-2-4-15(11-16)17-6-3-8-20-12-17/h2-13H,1H3","""AuxInfo=1/0/N:1,10,15,11,9,14,22,16,21,3,19,18,6,2,12,8,13,7,4,17,5,20/rA:22CCCCNCCCCCCCCCCCNCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s4s7;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-TZDSOJZCVDBJCT_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155643;CHEMBL1097053,CCCCCCC1CN(c2ccc(Cl)cc2)C(=O)O1,TZDSOJZCVDBJCT,TZDSOJZCVDBJCT-UHFFFAOYSA-N,"InChI=1S/C15H20ClNO2/c1-2-3-4-5-6-14-11-17(15(18)19-14)13-9-7-12(16)8-10-13/h7-10,14H,2-6,11H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,12,15,11,16,8,13,10,7,17,14,9,18,19/E:(7,8)(9,10)/rA:19CCCCCCCCNCCCCClCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  5.352;  5.350,5.351,0.001,0.001,2.0,5.351,0.001
-TZLOPLLRZZZJJH_on_O15399_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_O60391_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_Q05586_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_Q12879_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_Q13224_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLOPLLRZZZJJH_on_Q14957_WT,Low,ChEMBL30,CHEMBL41538,O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O,TZLOPLLRZZZJJH,TZLOPLLRZZZJJH-UHFFFAOYSA-N,"InChI=1S/C9H2F4N2O4/c10-2-1-6(5(13)4(12)3(2)11)14-9(17)7(8(1)16)15(18)19/h(H2,14,16,17)","""AuxInfo=1/1/N:17,15,13,11,9,8,4,18,5,16,14,12,10,7,2,19,6,1,3/E:(18,19)/CRV:15.5/rA:19ON+O-CCONCCFCFCFCFCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;s11;s13;d13;s15;s8s15;s4d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-TZLXIJXUFJJEGC_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647549,CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1,TZLXIJXUFJJEGC,TZLXIJXUFJJEGC-UHFFFAOYSA-N,"InChI=1S/C21H20FN5O2S/c1-13(2)27-12-24-20-18(11-25-26-21(20)27)15-6-9-19(22)17(10-15)14-4-7-16(8-5-14)30(28,29)23-3/h4-13,23H,1-3H3","""AuxInfo=1/0/N:23,24,1,8,29,25,7,30,26,11,14,20,22,9,12,6,10,13,27,18,17,28,2,19,15,16,21,4,5,3/E:(1,2)(4,5)(7,8)(28,29)/CRV:30.6/rA:30CNSOOCCCCCCCCCNNCCNCNCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;d12;s25;s10d26;s27;s9;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-TZNABLTWXNAXSI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3952753,Cc1c(S(=O)(=O)C(C)c2ccccc2Cl)sc(NC(=O)c2ccccn2)n1,TZNABLTWXNAXSI,TZNABLTWXNAXSI-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O3S2/c1-11-17(27(24,25)12(2)13-7-3-4-8-14(13)19)26-18(21-11)22-16(23)15-9-5-6-10-20-15/h3-10,12H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,8,11,12,23,24,10,13,22,25,2,7,9,14,21,19,3,17,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCCCCClSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;s7;d9;s10;d11;s12;s9d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.490,5.49,0.0,0.0,1.0,5.49,0.0
-TZNIMYAKTXVPNF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3928501,Clc1ccc(Nc2c3ncccc3n[nH]2)cn1,TZNIMYAKTXVPNF,TZNIMYAKTXVPNF-UHFFFAOYSA-N,"InChI=1S/C11H8ClN5/c12-9-4-3-7(6-14-9)15-11-10-8(16-17-11)2-1-5-13-10/h1-6H,(H2,15,16,17)","""AuxInfo=1/1/N:11,12,4,3,10,16,5,13,2,8,7,1,9,17,6,14,15/rA:17ClCCCCNCCNCCCCNNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.260,5.26,0.0,0.0,1.0,5.26,0.0
-TZRKMUVCDFRYEQ_on_P41594_WT,High,ChEMBL30,CHEMBL2205930,COc1ncc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,TZRKMUVCDFRYEQ,TZRKMUVCDFRYEQ-UHFFFAOYSA-N,"InChI=1S/C16H14N6O2S/c1-21(2)14-11-12-13(25-15(11)19-7-18-14)16(23)22(8-20-12)9-4-5-10(24-3)17-6-9/h4-8H,1-3H3","""AuxInfo=1/0/N:17,18,1,24,25,5,20,8,6,3,14,10,11,15,13,22,4,19,21,9,16,7,23,2,12/E:(1,2)/rA:25COCNCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-TZRKMUVCDFRYEQ_on_Q13255_WT,High,ChEMBL30,CHEMBL2205930,COc1ncc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,TZRKMUVCDFRYEQ,TZRKMUVCDFRYEQ-UHFFFAOYSA-N,"InChI=1S/C16H14N6O2S/c1-21(2)14-11-12-13(25-15(11)19-7-18-14)16(23)22(8-20-12)9-4-5-10(24-3)17-6-9/h4-8H,1-3H3","""AuxInfo=1/0/N:17,18,1,24,25,5,20,8,6,3,14,10,11,15,13,22,4,19,21,9,16,7,23,2,12/E:(1,2)/rA:25COCNCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-TZWRDBPOCJQISB_on_P41594_WT,High,ChEMBL30,CHEMBL3672910,O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nccc2,TZWRDBPOCJQISB,TZWRDBPOCJQISB-UHFFFAOYSA-N,"InChI=1S/C16H14BrN5O/c17-12-9-19-15-8-14(20-22(15)10-12)16(23)21-6-3-11-2-1-5-18-13(11)4-7-21/h1-2,5,8-10H,3-4,6-7H2","""AuxInfo=1/0/N:22,23,15,18,21,14,19,12,9,6,16,7,17,3,11,2,8,20,10,4,13,5,1/rA:23OCCNNCCBrCNCCNCCCCCCNCCC/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;d20;s21;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-TZWSJNFDGNIKAZ_on_P41594_WT,High,ChEMBL30,CHEMBL371884,Cc1nc(C#Cc2cnccn2)cs1,TZWSJNFDGNIKAZ,TZWSJNFDGNIKAZ-UHFFFAOYSA-N,"InChI=1S/C10H7N3S/c1-8-13-10(7-14-8)3-2-9-6-11-4-5-12-9/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,10,11,8,13,2,7,4,9,12,3,14/rA:14CCNCCCCCNCCNCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-TZZLIARCVQOPQS_on_O00591_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_O14764_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P14867_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.850;  5.870,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P18505_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P18507_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P28472_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P31644_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P34903_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.850;  5.870,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P47869_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.850;  5.870,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P47870_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P48169_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_P78334_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-TZZLIARCVQOPQS_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322870,Cc1nc(N)ccc1C(=O)O,TZZLIARCVQOPQS,TZZLIARCVQOPQS-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:1,7,6,2,8,4,9,5,3,10,11/E:(10,11)/rA:11CCNCNCCCCOO/rB:s1;d2;s3;s4;d4;s6;s2d7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.870;  5.850,5.86,0.01,0.01,2.0,5.86,0.01
-UAAIQSPXJGDBGK_on_O15399_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_O60391_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_Q05586_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_Q12879_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_Q13224_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UAAIQSPXJGDBGK_on_Q14957_WT,Low,ChEMBL30,CHEMBL269683,O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1,UAAIQSPXJGDBGK,UAAIQSPXJGDBGK-UHFFFAOYSA-N,"InChI=1S/C9H8ClN2O5P/c10-5-1-4(3-18(15,16)17)7-6(2-5)11-8(13)9(14)12-7/h1-2H,3H2,(H,11,13)(H,12,14)(H2,15,16,17)","""AuxInfo=1/1/N:18,15,5,6,16,14,7,11,9,17,13,8,12,10,1,3,4,2/E:(15,16,17)/rA:18OPOOCCCNCOCONCCCClC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s16;s6d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-UABZQKMEEGMSSO_on_P41594_WT,High,ChEMBL30,CHEMBL2151483,Cc1cc(-c2noc(C3CN(S(=O)(=O)c4cccc(C)c4)C3)n2)ccc1,UABZQKMEEGMSSO,UABZQKMEEGMSSO-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3S/c1-13-5-3-7-15(9-13)18-20-19(25-21-18)16-11-22(12-16)26(23,24)17-8-4-6-14(2)10-17/h3-10,16H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,20,25,17,26,18,24,16,3,21,10,22,2,19,4,9,15,5,8,23,6,11,13,14,7,12/E:(11,12)(23,24)/CRV:26.6/rA:26CCCCCNOCCCNSOOCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;d12;s12;d15;s16;d17;s18;s19;s15d19;s9s11;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-UACRBNZRULBVDY_on_P41594_WT,Low,ChEMBL30,CHEMBL1783861,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,UACRBNZRULBVDY,UACRBNZRULBVDY-UHFFFAOYSA-N,"InChI=1S/C18H13BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-UACRBNZRULBVDY_on_Q13255_WT,High,ChEMBL30,CHEMBL1783861,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,UACRBNZRULBVDY,UACRBNZRULBVDY-UHFFFAOYSA-N,"InChI=1S/C18H13BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-UADKFXNLQXRAQV_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2426612;CHEMBL2426612;53247350,O=C1c2c(CCN1c1c(F)cccn1)nc(COc1ccccc1)s2,UADKFXNLQXRAQV,UADKFXNLQXRAQV-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2S/c19-13-7-4-9-20-17(13)22-10-8-14-16(18(22)23)25-15(21-14)11-24-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2","""AuxInfo=1/0/N:22,21,23,12,20,24,11,5,13,6,17,19,9,4,16,3,8,2,10,14,15,7,1,18,25/E:(2,3)(5,6)/rA:25OCCCCCNCCFCCCNNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;s9;d11;s12;s8d13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PMID:23947773;PubChemAID:770257,2013;2013;2014,0,1;1;0,0,0,0;0;1,,=,  6.100;  6.100;  6.102,6.101,0.001,0.001,3.0,6.1,0.0
-UALUJHNEBPFGTC_on_P41594_WT,Low,ChEMBL30,CHEMBL203713,Cc1cc(NC(=O)NC2=NC(=O)C3CCCN23)c(C)cc1,UALUJHNEBPFGTC,UALUJHNEBPFGTC-UHFFFAOYSA-N,"InChI=1S/C15H18N4O2/c1-9-5-6-10(2)11(8-9)16-15(21)18-14-17-13(20)12-4-3-7-19(12)14/h5-6,8,12H,3-4,7H2,1-2H3,(H2,16,17,18,20,21)","""AuxInfo=1/1/N:1,19,15,14,21,20,16,3,2,18,4,13,11,9,6,5,10,8,17,12,7/rA:21CCCCNCONCNCOCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;w?9;s10;d11;s11;s13;s14;s15;s9s13s16;d4;s18;s18;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UAMKOJOCURZQFS_on_P41594_WT,Low,ChEMBL30,CHEMBL1783987,O=C(N1CCN(c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2,UAMKOJOCURZQFS,UAMKOJOCURZQFS-UHFFFAOYSA-N,"InChI=1S/C20H27N3O/c24-19(20-11-15-8-16(12-20)10-17(9-15)13-20)23-6-4-22(5-7-23)18-2-1-3-21-14-18/h1-3,14-17H,4-13H2","""AuxInfo=1/0/N:9,8,10,5,13,4,14,18,20,22,24,16,23,12,19,17,21,7,2,15,11,6,3,1/E:(4,5)(6,7)(8,9,10)(11,12,13)(15,16,17)/rA:24OCNCCNCCCCNCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s6;s3s13;s2;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UAPQZSLRWRGQMX_on_Q14833_WT,High,ChEMBL30,CHEMBL4062968,COCCOc1ccc2oc(-c3cc4cccn4cn3)cc(=NO)c2c1,UAPQZSLRWRGQMX,UAPQZSLRWRGQMX-UHFFFAOYSA-N,"InChI=1S/C19H17N3O4/c1-24-7-8-25-14-4-5-18-15(10-14)16(21-23)11-19(26-18)17-9-13-3-2-6-22(13)12-20-17/h2-6,9-12,23H,7-8H2,1H3","""AuxInfo=1/0/N:1,16,15,7,8,17,3,4,13,26,21,19,14,6,25,22,12,9,11,20,23,18,24,2,5,10/rA:26COCCOCCCCOCCCCCCCNCNCCNOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;d16;s14s17;s18;s12d19;d11;s21;w?22;s23;s9s22;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-UARANHFODNNFBS_on_Q14833_WT,High,ChEMBL30,CHEMBL4082167,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCC(F)(F)CC1)cc2,UARANHFODNNFBS,UARANHFODNNFBS-UHFFFAOYSA-N,"InChI=1S/C24H23F2N3O2S/c25-24(26)6-9-29(10-7-24)8-1-2-16-3-4-21-18(12-16)19(28-30)13-22(31-21)20-14-23-17(15-27-20)5-11-32-23/h3-5,11-15,30H,1-2,6-10H2","""AuxInfo=1/0/N:21,20,31,32,10,25,29,22,24,30,11,18,4,14,8,19,9,17,3,6,16,5,13,26,27,28,7,2,23,1,15,12/E:(6,7)(9,10)(25,26)/rA:32ONCCCCNCCCCSCCOCCCCCCCNCCCFFCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s26;s26;s23s29;s19;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-UARMCWOWRLFTFP_on_O00591_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_O14764_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_P14867_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL1273615;CHEMBL650075;CHEMBL822162,PMID:9435905,1997.0,PMID:10633039;PMID:20888240;PMID:9435905;PMID:9651158,2000;2010;1997;1998,0;0;1;0,0,0,1;1;0;1,0,,=,  7.430;  7.430;  7.010;  7.430,7.325,0.182,0.105,4.0,7.43,0.0
-UARMCWOWRLFTFP_on_P18505_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_P18507_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL824294;CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL1273620;CHEMBL1273617;CHEMBL822162;CHEMBL1273619;CHEMBL1273616;CHEMBL1273615;CHEMBL650075;CHEMBL685337;CHEMBL823761,PMID:9435905,1997.0,PMID:10633039;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:20888240;PMID:20888240;PMID:9651158;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9435905;PMID:9651158;PMID:9651158,2000;1998;2000;2000;2000;2010;2010;1998;2010;2010;2010;1997;1998;1998,0;0;0;0;0;0;0;0;0;0;0;1;0;0,0,0,1;1;1;1;1;1;1;1;1;1;1;0;1;1,0,,=,  6.710;  6.710;  6.000;  6.610;  7.430;  6.000;  6.610;  7.430;  6.000;  6.710;  7.430;  7.010;  6.000;  6.610,6.6610000000000005,0.511,0.142,14.0,6.66,0.505
-UARMCWOWRLFTFP_on_P28472_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL682251;CHEMBL1273617;CHEMBL1273616;CHEMBL681480;CHEMBL1273620;CHEMBL685337;CHEMBL1273619;CHEMBL824294;CHEMBL823761;CHEMBL681248;CHEMBL822162;CHEMBL678329;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:10633039;PMID:20888240;PMID:20888240;PMID:10633039;PMID:20888240;PMID:9651158;PMID:20888240;PMID:9651158;PMID:9651158;PMID:10633039;PMID:9651158;PMID:10633039;PMID:9435905,2010;2000;2010;2010;2000;2010;1998;2010;1998;1998;2000;1998;2000;1997,0;0;0;0;0;0;0;0;0;0;0;0;0;1,0,0,1;1;1;1;1;1;1;1;1;1;1;1;1;0,0,,=,  7.430;  6.610;  6.610;  6.710;  6.000;  6.000;  6.000;  6.000;  6.710;  6.610;  6.710;  7.430;  7.430;  7.010,6.6610000000000005,0.511,0.142,14.0,6.66,0.505
-UARMCWOWRLFTFP_on_P31644_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075;CHEMBL685337;CHEMBL681480;CHEMBL1273619,PMID:9435905,1997.0,PMID:9435905;PMID:9651158;PMID:10633039;PMID:20888240,1997;1998;2000;2010,1;0;0;0,0,0,0;1;1;1,0,,=,  7.010;  6.000;  6.000;  6.000,6.252999999999999,0.43700000000000006,0.253,4.0,6.0,0.0
-UARMCWOWRLFTFP_on_P34903_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL823761;CHEMBL1273617;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:9651158;PMID:20888240;PMID:10633039,1997;1998;2010;2000,1;0;0;0,0,0,0;1;1;1,0,,=,  7.010;  6.610;  6.610;  6.610,6.71,0.17300000000000001,0.1,4.0,6.61,0.0
-UARMCWOWRLFTFP_on_P47869_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248;CHEMBL650075;CHEMBL1273616,PMID:9435905,1997.0,PMID:9651158;PMID:10633039;PMID:9435905;PMID:20888240,1998;2000;1997;2010,0;0;1;0,0,0,1;1;0;1,0,,=,  6.710;  6.710;  7.010;  6.710,6.785,0.13,0.075,4.0,6.71,0.0
-UARMCWOWRLFTFP_on_P47870_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_P48169_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_P78334_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UARMCWOWRLFTFP_on_Q16445_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  6.000;  7.010,6.505,0.505,0.505,2.0,6.505,0.505
-UARMCWOWRLFTFP_on_Q99928_WT,Low,ChEMBL30,CHEMBL66902,CCCCOc1ncc2[nH]c3c(cccc3)c2c1,UARMCWOWRLFTFP,UARMCWOWRLFTFP-UHFFFAOYSA-N,"InChI=1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,2,3,14,15,13,16,4,18,8,12,17,11,9,6,7,10,5/rA:18CCCCOCNCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-UAVPSICJASWJLP_on_P14867_WT,High,ChEMBL30,CHEMBL3659674,COc1ncccc1-c1cc(-n2cnc3cc(C(C)(C)O)ccc32)ccn1,UAVPSICJASWJLP,UAVPSICJASWJLP-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2/c1-21(2,26)14-6-7-19-18(11-14)24-13-25(19)15-8-10-22-17(12-15)16-5-4-9-23-20(16)27-3/h4-13,26H,1-3H3","""AuxInfo=1/0/N:19,20,1,6,7,22,23,25,5,26,16,10,13,17,11,8,9,15,24,3,18,27,4,14,12,21,2/E:(1,2)/rA:27COCNCCCCCCCNCNCCCCCCOCCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s17;s18;s18;s18;d17;s22;s12s15d23;d11;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3705279,PATENT:US8492408B2,2013.0,PATENT:US8492408B2,2013,1,0,0,0,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-UAVQBIRHLQKQEF_on_P41594_WT,High,ChEMBL30,CHEMBL3655621,N#Cc1cc(C(=O)Nc2cncc(Oc3cccnc3)c2)ccc1,UAVQBIRHLQKQEF,UAVQBIRHLQKQEF-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2/c19-9-13-3-1-4-14(7-13)18(23)22-15-8-17(12-21-10-15)24-16-5-2-6-20-11-16/h1-8,10-12H,(H,22,23)","""AuxInfo=1/1/N:23,17,24,22,16,18,4,21,2,10,20,12,3,5,9,15,13,6,1,19,11,8,7,14/rA:24NCCCCCONCCNCCOCCCCNCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-UAVZWWNZULFVNJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209590,Nc1nccc(CCc2ccccc2)n1,UAVZWWNZULFVNJ,UAVZWWNZULFVNJ-UHFFFAOYSA-N,"InChI=1S/C12H13N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15)","""AuxInfo=1/1/N:12,11,13,10,14,8,7,5,4,9,6,2,1,3,15/E:(2,3)(4,5)/rA:15NCNCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UAZAFDBTOFCZMD_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830710,c1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cn1,UAZAFDBTOFCZMD,UAZAFDBTOFCZMD-UHFFFAOYSA-N,"InChI=1S/C13H12N6S/c1-2-9-8(6-16-19-9)12-10(3-1)20-13(18-12)17-11-7-14-4-5-15-11/h4-7H,1-3H2,(H,16,19)(H,15,17,18)","""AuxInfo=1/1/N:11,12,10,1,2,15,19,14,13,9,4,8,6,20,3,16,5,7,17,18/rA:20CCNCNCNCCCCCCCCNNSCN/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UBBUIIAEFUPFIG_on_P41594_WT,High,ChEMBL30,CHEMBL3759977,Cc1cccc(-n2nnc(C(C)Oc3nnc(-c4cnnc(O)c4)n3C)n2)c1,UBBUIIAEFUPFIG,UBBUIIAEFUPFIG-UHFFFAOYSA-N,"InChI=1S/C17H17N9O2/c1-10-5-4-6-13(7-10)26-23-15(20-24-26)11(2)28-17-22-21-16(25(17)3)12-8-14(27)19-18-9-12/h4-9,11H,1-3H3,(H,19,27)","""AuxInfo=1/1/N:1,12,26,4,3,5,28,24,19,2,11,18,6,22,10,17,14,20,21,9,16,15,27,8,25,7,23,13/rA:28CCCCCCNNNCCCOCNNCCCNNCOCNCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;s11;s13;d14;s15;d16;s17;d18;s19;d20;s21;s22;s18d22;s14s17;s25;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3761222,PATENT:US20080125436A1,2008.0,PMID:26706173,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UBHMURHHZMUYIG_on_P41594_WT,High,ChEMBL30,CHEMBL2151470,Cc1cccc(-c2noc(C3CN(C(=O)c4c(F)cccc4)C3)n2)c1,UBHMURHHZMUYIG,UBHMURHHZMUYIG-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-5-4-6-13(9-12)17-21-18(25-22-17)14-10-23(11-14)19(24)15-7-2-3-8-16(15)20/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,21,20,4,3,5,22,19,25,12,23,2,6,11,16,17,7,10,14,18,24,8,13,15,9/E:(10,11)/rA:25CCCCCCCNOCCCNCOCCFCCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;s17;d19;s20;s16d21;s11s13;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-UBJXTDHRKPNRTF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71720844;CHEMBL2349532,Cc1nc(NC(=O)c2nn(C)c(-c3ccccc3)c2)ccc1,UBJXTDHRKPNRTF,UBJXTDHRKPNRTF-UHFFFAOYSA-N,"InChI=1S/C17H16N4O/c1-12-7-6-10-16(18-12)19-17(22)14-11-15(21(2)20-14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,18,19,22)","""AuxInfo=1/1/N:1,11,16,15,17,21,22,14,18,20,19,2,13,8,12,4,6,3,5,9,10,7/E:(4,5)(8,9)/rA:22CCNCNCOCNNCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s13d17;s8d12;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.022;  7.020,7.021,0.001,0.001,2.0,7.021,0.001
-UBKLKAVCOFMUAX_on_P41594_WT,Low,ChEMBL30,CHEMBL1783866,C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,UBKLKAVCOFMUAX,UBKLKAVCOFMUAX-UHFFFAOYSA-N,"InChI=1S/C19H15BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-UBKLKAVCOFMUAX_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1783866;54586362,C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,UBKLKAVCOFMUAX,UBKLKAVCOFMUAX-UHFFFAOYSA-N,"InChI=1S/C19H15BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743;PubChemAID:599762,PMID:19433355,2009.0,PMID:19433355;PubChemAID:599762,2009;2012,1;0,0,0,0,0;1,,=,  7.180;  7.180,7.18,0.0,0.0,2.0,7.18,0.0
-UBMPPNBPDAFAEE_on_P41594_WT,High,ChEMBL30,CHEMBL2338596,O=C(NC1CCCC(NC(=O)c2cc(F)ccc2)C1)c1cc(F)ccc1,UBMPPNBPDAFAEE,UBMPPNBPDAFAEE-UHFFFAOYSA-N,"InChI=1S/C20H20F2N2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:17,25,6,18,26,16,24,7,5,13,21,19,12,20,14,22,8,4,10,2,15,23,9,3,11,1/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26OCNCCCCCNCOCCCFCCCCCCCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-UBOUWUOIJSJJIT_on_Q14416_WT,High,ChEMBL30,CHEMBL124483,NC(CCc1cc(O)ccc1)(C(=O)O)C1CC1C(=O)O,UBOUWUOIJSJJIT,UBOUWUOIJSJJIT-UHFFFAOYSA-N,"InChI=1S/C14H17NO5/c15-14(13(19)20,11-7-10(11)12(17)18)5-4-8-2-1-3-9(16)6-8/h1-3,6,10-11,16H,4-5,7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:10,11,9,4,3,6,16,5,7,17,15,18,12,2,1,8,19,20,13,14/E:(17,18)(19,20)/rA:20NCCCCCCOCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UBOUWUOIJSJJIT_on_Q14832_WT,High,ChEMBL30,CHEMBL124483,NC(CCc1cc(O)ccc1)(C(=O)O)C1CC1C(=O)O,UBOUWUOIJSJJIT,UBOUWUOIJSJJIT-UHFFFAOYSA-N,"InChI=1S/C14H17NO5/c15-14(13(19)20,11-7-10(11)12(17)18)5-4-8-2-1-3-9(16)6-8/h1-3,6,10-11,16H,4-5,7,15H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:10,11,9,4,3,6,16,5,7,17,15,18,12,2,1,8,19,20,13,14/E:(17,18)(19,20)/rA:20NCCCCCCOCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-UBPRWPMYKSNHOG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115237,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)ccn1,UBPRWPMYKSNHOG,UBPRWPMYKSNHOG-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-9-16(3-4-19(13)30-22(24)25)21-27-20(15-5-7-26-14(2)10-15)18-6-8-29-17(11-23)12-28(18)21/h3-5,7,9-10,17,22H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:25,1,17,18,28,7,29,8,26,3,11,13,24,2,4,16,10,6,19,5,15,21,12,22,23,30,27,14,9,20/E:(24,25)/rA:30CCCCCCCCOCCFCNCCCCCOCFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-UBPYLMGYIGLNCM_on_O15399_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_O60391_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_Q05586_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_Q12879_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_Q13224_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBPYLMGYIGLNCM_on_Q14957_WT,Low,ChEMBL30,CHEMBL40193,Oc1nc2c(nccc2)c(O)c1-c1ccccc1,UBPYLMGYIGLNCM,UBPYLMGYIGLNCM-UHFFFAOYSA-N,"InChI=1S/C14H10N2O2/c17-13-11(9-5-2-1-3-6-9)14(18)16-10-7-4-8-15-12(10)13/h1-8H,(H2,16,17,18)","""AuxInfo=1/1/N:16,15,17,8,14,18,9,7,13,4,12,5,10,2,6,3,11,1/E:(2,3)(5,6)/rA:18OCNCCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s5;s10;s2d10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UBRMZMFBOXCPPA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1808892;56677266;CHEMBL1808892,Cc1cc(-c2cc(Cl)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1,UBRMZMFBOXCPPA,UBRMZMFBOXCPPA-UHFFFAOYSA-N,"InChI=1S/C20H17ClFN3OS/c1-12-5-17(13-6-14(21)8-15(22)7-13)24-9-16(12)18-3-2-4-25(18)20(26)19-10-23-11-27-19/h5-11,18H,2-4H2,1H3","""AuxInfo=1/0/N:1,18,17,19,3,6,12,9,14,24,26,2,5,7,10,15,4,16,23,21,8,11,25,13,20,22,27/rA:27CCCCCCCClCCFCNCCCCCCNCOCCNCS/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;d4;s13;s2d14;s15;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;PubChemAID:609897;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343;PubChemAID:609897;PMID:21757343,2011;2012;2011,0;0;1,0,0,1;0;0,0;1;0,,=,  6.820;  7.131;  7.130,7.027,0.146,0.10400000000000001,3.0,7.13,0.001
-UBSLYLLGPZUUQE_on_P41594_WT,High,ChEMBL30,CHEMBL3746540,O=C1c2cc(COc3ccccc3)nn2CCN1c1c(F)cc(F)cc1,UBSLYLLGPZUUQE,UBSLYLLGPZUUQE-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-13-6-7-17(16(21)10-13)23-8-9-24-18(19(23)25)11-14(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","""AuxInfo=1/0/N:11,10,12,9,13,25,26,17,16,22,4,6,23,5,8,20,19,3,2,24,21,14,18,15,1,7/E:(2,3)(4,5)/rA:26OCCCCCOCCCCCCNNCCNCCFCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;s20;d22;s23;s23;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  7.000;  7.000,7.0,0.0,0.0,2.0,7.0,0.0
-UBTOWYFKXVFQIF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545551;CHEMBL3087220,COC(=O)N1C2CCC1CC(O)(C#Cc1cc(OC(F)F)ccc1)C2,UBTOWYFKXVFQIF,UBTOWYFKXVFQIF-UHFFFAOYSA-N,"InChI=1S/C18H19F2NO4/c1-24-17(22)21-13-5-6-14(21)11-18(23,10-13)8-7-12-3-2-4-15(9-12)25-16(19)20/h2-4,9,13-14,16,23H,5-6,10-11H2,1H3","""AuxInfo=1/0/N:1,23,24,22,7,8,14,13,16,25,10,15,6,9,17,19,3,11,20,21,5,4,12,2,18/E:(5,6)(10,11)(13,14)(19,20)/rA:25COCONCCCCCCOCCCCCOCFFCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;s17;s18;s19;s19;d17;s22;s15d23;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  7.141;  7.140,7.14,0.0,0.0,2.0,7.14,0.001
-UBZGCHSBAOJHLE_on_P14867_WT,Low,ChEMBL30,CHEMBL487867,CCCCC(=O)c1nc2c(CCCC2)c(O)c1,UBZGCHSBAOJHLE,UBZGCHSBAOJHLE-UHFFFAOYSA-N,"InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,12,13,11,14,4,17,10,9,7,5,15,8,6,16/rA:17CCCCCOCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UBZGCHSBAOJHLE_on_P18507_WT,Low,ChEMBL30,CHEMBL487867,CCCCC(=O)c1nc2c(CCCC2)c(O)c1,UBZGCHSBAOJHLE,UBZGCHSBAOJHLE-UHFFFAOYSA-N,"InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,12,13,11,14,4,17,10,9,7,5,15,8,6,16/rA:17CCCCCOCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UBZGCHSBAOJHLE_on_P47870_WT,Low,ChEMBL30,CHEMBL487867,CCCCC(=O)c1nc2c(CCCC2)c(O)c1,UBZGCHSBAOJHLE,UBZGCHSBAOJHLE-UHFFFAOYSA-N,"InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)","""AuxInfo=1/1/N:1,2,3,12,13,11,14,4,17,10,9,7,5,15,8,6,16/rA:17CCCCCOCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UBZQMNGVBPUKCE_on_P14867_WT,Low,ChEMBL30,CHEMBL380715,FC(F)(F)c1nc2ncc(-c3ncccc3)n2cc1,UBZQMNGVBPUKCE,UBZQMNGVBPUKCE-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-12(14,15)10-4-6-19-9(7-17-11(19)18-10)8-3-1-2-5-16-8/h1-7H","""AuxInfo=1/0/N:15,14,16,19,13,18,9,11,10,5,7,2,1,3,4,12,8,6,17/E:(13,14,15)/rA:19FCFFCNCNCCCNCCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-UBZQMNGVBPUKCE_on_P18507_WT,Low,ChEMBL30,CHEMBL380715,FC(F)(F)c1nc2ncc(-c3ncccc3)n2cc1,UBZQMNGVBPUKCE,UBZQMNGVBPUKCE-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-12(14,15)10-4-6-19-9(7-17-11(19)18-10)8-3-1-2-5-16-8/h1-7H","""AuxInfo=1/0/N:15,14,16,19,13,18,9,11,10,5,7,2,1,3,4,12,8,6,17/E:(13,14,15)/rA:19FCFFCNCNCCCNCCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.040;  7.960,8.0,0.04,0.04,2.0,8.0,0.04
-UBZQMNGVBPUKCE_on_P28472_WT,Low,ChEMBL30,CHEMBL380715,FC(F)(F)c1nc2ncc(-c3ncccc3)n2cc1,UBZQMNGVBPUKCE,UBZQMNGVBPUKCE-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-12(14,15)10-4-6-19-9(7-17-11(19)18-10)8-3-1-2-5-16-8/h1-7H","""AuxInfo=1/0/N:15,14,16,19,13,18,9,11,10,5,7,2,1,3,4,12,8,6,17/E:(13,14,15)/rA:19FCFFCNCNCCCNCCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.960;  8.040,8.0,0.04,0.04,2.0,8.0,0.04
-UBZQMNGVBPUKCE_on_P34903_WT,Low,ChEMBL30,CHEMBL380715,FC(F)(F)c1nc2ncc(-c3ncccc3)n2cc1,UBZQMNGVBPUKCE,UBZQMNGVBPUKCE-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-12(14,15)10-4-6-19-9(7-17-11(19)18-10)8-3-1-2-5-16-8/h1-7H","""AuxInfo=1/0/N:15,14,16,19,13,18,9,11,10,5,7,2,1,3,4,12,8,6,17/E:(13,14,15)/rA:19FCFFCNCNCCCNCCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s7s10;s17;s5d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UBZYCCRHIRZFEK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3928235,CC1(C)CN(C(=O)c2ccc(C#Cc3cccc(F)c3)cn2)CCO1,UBZYCCRHIRZFEK,UBZYCCRHIRZFEK-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,10,9,23,24,20,21,4,14,11,18,8,6,2,19,22,5,7,25/E:(1,2)/rA:25CCCCNCOCCCCCCCCCCCFCCNCCO/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s5;s23;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887807;CHEMBL3887806,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,0;1,0,1;0,0,,=,  6.700;  7.340,7.02,0.32,0.32,2.0,7.02,0.32
-UCKIGOYFVWRZFL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL390805;16736017,Cc1nc(C#Cc2cc(C#N)ccc2)nnc1,UCKIGOYFVWRZFL,UCKIGOYFVWRZFL-UHFFFAOYSA-N,"InChI=1S/C13H8N4/c1-10-9-15-17-13(16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3","""AuxInfo=1/0/N:1,13,14,12,6,5,8,10,17,2,7,9,4,11,16,3,15/rA:17CCNCCCCCCCNCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;t10;d9;s12;s7d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663;PubChemAID:291521,PMID:17569516,2007.0,PMID:17569516;PubChemAID:291521,2007;2010,1;0,0,0,0,0;1,,=,  7.280;  7.284,7.282,0.002,0.002,2.0,7.282,0.002
-UCRLHHOMEJDACY_on_P18507_WT,Low,ChEMBL30,CHEMBL197559,COC(=O)c1cc(-c2cc(-c3ccccc3)nnc2)ccc1,UCRLHHOMEJDACY,UCRLHHOMEJDACY-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)15-9-5-8-14(10-15)16-11-17(20-19-12-16)13-6-3-2-4-7-13/h2-12H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,12,16,20,22,6,9,19,11,7,5,8,10,3,18,17,4,2/E:(3,4)(6,7)/rA:22COCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;d7;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.540;  7.960,7.75,0.21,0.21,2.0,7.75,0.21
-UCRLHHOMEJDACY_on_P28472_WT,Low,ChEMBL30,CHEMBL197559,COC(=O)c1cc(-c2cc(-c3ccccc3)nnc2)ccc1,UCRLHHOMEJDACY,UCRLHHOMEJDACY-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)15-9-5-8-14(10-15)16-11-17(20-19-12-16)13-6-3-2-4-7-13/h2-12H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,12,16,20,22,6,9,19,11,7,5,8,10,3,18,17,4,2/E:(3,4)(6,7)/rA:22COCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;d7;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.540;  7.960,7.75,0.21,0.21,2.0,7.75,0.21
-UCRLHHOMEJDACY_on_P31644_WT,Low,ChEMBL30,CHEMBL197559,COC(=O)c1cc(-c2cc(-c3ccccc3)nnc2)ccc1,UCRLHHOMEJDACY,UCRLHHOMEJDACY-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)15-9-5-8-14(10-15)16-11-17(20-19-12-16)13-6-3-2-4-7-13/h2-12H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,12,16,20,22,6,9,19,11,7,5,8,10,3,18,17,4,2/E:(3,4)(6,7)/rA:22COCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;d7;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UCRLHHOMEJDACY_on_P34903_WT,Low,ChEMBL30,CHEMBL197559,COC(=O)c1cc(-c2cc(-c3ccccc3)nnc2)ccc1,UCRLHHOMEJDACY,UCRLHHOMEJDACY-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c1-22-18(21)15-9-5-8-14(10-15)16-11-17(20-19-12-16)13-6-3-2-4-7-13/h2-12H,1H3","""AuxInfo=1/0/N:1,14,13,15,21,12,16,20,22,6,9,19,11,7,5,8,10,3,18,17,4,2/E:(3,4)(6,7)/rA:22COCOCCCCCCCCCCCCNNCCCC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;d7;s20;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-UCSADJSYXSUUQV_on_P41594_WT,High,ChEMBL30,CHEMBL4239573,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCOCCOCCOCCOCCOCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1,UCSADJSYXSUUQV,UCSADJSYXSUUQV-UHFFFAOYSA-N,"InChI=1S/C47H60N8O10S/c1-37-50-40(36-66-37)10-8-38-28-42(31-48-30-38)64-35-47(56)49-12-18-59-20-22-61-24-26-63-27-25-62-23-21-60-19-17-55-33-41(51-52-55)34-65-45-11-9-39(29-46(45)58-3)32-53-13-15-54(16-14-53)43-6-4-5-7-44(43)57-2/h4-7,9,11,28-31,33,36H,12-27,32,34-35H2,1-3H3,(H,49,56)","""AuxInfo=1/1/N:60,14,1,17,16,18,15,54,21,55,22,45,8,20,9,19,29,44,30,42,32,41,33,39,35,38,36,52,4,62,64,6,27,25,49,57,59,53,5,56,26,51,11,12,23,3,47,63,46,61,66,65,7,10,28,48,13,2,43,31,40,34,37,50,24,58/E:(13,14)(15,16)/rA:66COCCCCNCCNCCOCCCCCCCCCCOCCCNCCOCCOCCOCCOCCOCCNCOCOCCCCCCCSCCNCNCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s42;s43;s44;s45;s46;d47;s47;s49;s50;d51;s52;s53;t54;s55;d56;s57;s58;s59;s56d59;d53;s62;s51d63;s28;s26d65;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-UCWDXVNBJQGZMP_on_Q13224_WT,Low,ChEMBL30,CHEMBL374658,Cc1ccc(COC(=O)N2CCC(Nc3ncccn3)CC2)cc1,UCWDXVNBJQGZMP,UCWDXVNBJQGZMP-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)13-24-18(23)22-11-7-16(8-12-22)21-17-19-9-2-10-20-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,18,3,24,4,23,12,21,17,19,11,22,6,2,5,13,15,8,16,20,14,10,9,7/E:(3,4)(5,6)(7,8)(9,10)(11,12)(19,20)/rA:24CCCCCCOCONCCCNCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-UCYCJYJSMSDBIV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3950536,CC1(C)CCCN(C(=O)c2ncc(C#Cc3ccccc3)cn2)C1,UCYCJYJSMSDBIV,UCYCJYJSMSDBIV-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-20(2)11-6-12-23(15-20)19(24)18-21-13-17(14-22-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,11-12,15H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,5,17,21,15,14,4,6,12,22,24,16,13,10,8,2,11,23,7,9/E:(1,2)(4,5)(7,8)(13,14)(21,22)/rA:24CCCCCCNCOCNCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887806;CHEMBL3887807,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,1;0,0,0;1,0,,=,  7.300;  6.500,6.9,0.4,0.4,2.0,6.9,0.4
-UCZUTGUMYWCUCY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL318309,C=C(c1ccccc1)c1cccc(N(Cc2cnccc2)S(=O)(=O)CC)c1,UCZUTGUMYWCUCY,UCZUTGUMYWCUCY-UHFFFAOYSA-N,"InChI=1S/C22H22N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16H,2-3,17H2,1H3","""AuxInfo=1/0/N:26,1,25,6,5,7,11,20,21,4,8,10,12,19,27,17,15,2,16,3,9,13,18,14,23,24,22/E:(5,6)(10,11)(25,26)/CRV:27.6/rA:27CCCCCCCCCCCCCNCCCNCCCSOOCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;d22;d22;s22;s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-UDDKMAVCHONARO_on_P41594_WT,High,ChEMBL30,CHEMBL1257503,N#Cc1cc(N2CC3N=C(c4ccccn4)OC3C2)ccc1,UDDKMAVCHONARO,UDDKMAVCHONARO-UHFFFAOYSA-N,"InChI=1S/C17H14N4O/c18-9-12-4-3-5-13(8-12)21-10-15-16(11-21)22-17(20-15)14-6-1-2-7-19-14/h1-8,15-16H,10-11H2","""AuxInfo=1/0/N:13,14,21,22,20,12,15,4,2,7,19,3,5,11,8,18,10,1,16,9,6,17/rA:22NCCCCNCCNCCCCCCNOCCCCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;w?9;s10;d11;s12;d13;s14;s11d15;s10;s8s17;s6s18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-UDEPNGDKRHIBAV_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779874;CHEMBL1779874;54582603,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccc(Cl)c1)cc2,UDEPNGDKRHIBAV,UDEPNGDKRHIBAV-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O/c22-16-5-3-4-15(14-16)8-9-17-10-11-19-20(23-17)12-13-24(21(19)25)18-6-1-2-7-18/h3-5,10-11,14,18H,1-2,6-7,12-13H2","""AuxInfo=1/0/N:10,11,19,18,20,9,12,16,15,24,25,5,6,23,17,21,14,8,3,4,2,22,13,7,1/E:(1,2)(6,7)/rA:25OCCCCCNCCCCCNCCCCCCCCClCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s14;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780496;PubChemAID:598492,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598492,2011;2011;2012,0,0;1;0,0,1;0;0,0;0;1,,=,  5.280;  7.480;  7.481,6.747000000000001,1.037,0.7340000000000001,3.0,7.48,0.001
-UDGOBDSFWBJVTE_on_P31644_WT,High,ChEMBL30,CHEMBL3681510;CHEMBL3681500;CHEMBL3681511;CHEMBL3681513;CHEMBL3681512,Cc1c(COc2ccc(C(=O)NC3CCCC3O)cn2)c(-c2ccccc2)no1,UDGOBDSFWBJVTE,UDGOBDSFWBJVTE-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-14-17(21(25-29-14)15-6-3-2-4-7-15)13-28-20-11-10-16(12-23-20)22(27)24-18-8-5-9-19(18)26/h2-4,6-7,10-12,18-19,26H,5,8-9,13H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,25,24,26,15,23,27,14,16,8,7,19,4,2,22,9,3,13,17,6,21,10,20,12,28,18,11,5,29/E:(3,4)(6,7)/rA:29CCCCOCCCCCONCCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s13s16;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.300;  8.410;  8.570;  8.800;  8.700,8.556000000000001,0.183,0.091,5.0,8.57,0.16
-UDJGBCGYRNFSMS_on_Q14833_WT,Low,ChEMBL30,CHEMBL1223163,COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,UDJGBCGYRNFSMS,UDJGBCGYRNFSMS-UHFFFAOYSA-N,"InChI=1S/C15H17N3O4S/c1-22-11-10-17-23(20,21)13-7-5-12(6-8-13)18-15(19)14-4-2-3-9-16-14/h2-9,17H,10-11H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,18,19,17,11,22,10,23,20,4,3,12,9,16,14,21,5,13,15,7,8,2,6/E:(5,6)(7,8)(20,21)/CRV:23.6/rA:23COCCNSOOCCCCNCOCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;d9;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s9d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UDLTUJYBFNCMJX_on_P14867_WT,Medium,ChEMBL30,CHEMBL518197,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9767648,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-UDLTUJYBFNCMJX_on_P18507_WT,Low,ChEMBL30,CHEMBL129855,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058330;CHEMBL3058328;CHEMBL3058327;CHEMBL3058332;CHEMBL3058331;CHEMBL678329;CHEMBL683047;CHEMBL685338;CHEMBL683045;CHEMBL681248;CHEMBL822165;CHEMBL682251;CHEMBL824296;CHEMBL681480;CHEMBL823916,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648,2004;2004;2004;2004;2004;2000;1998;1998;2000;2000;1998;2000;1998;2000;1998,0,0,0,1,0,,=,  7.100;  8.400;  6.470;  6.700;  6.910;  6.700;  6.470;  8.400;  6.470;  6.910;  6.700;  7.100;  6.910;  8.400;  7.100,7.1160000000000005,0.6759999999999999,0.18100000000000002,15.0,6.91,0.21
-UDLTUJYBFNCMJX_on_P28472_WT,Low,ChEMBL30,CHEMBL129855,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058328;CHEMBL3058331;CHEMBL3058332;CHEMBL683045;CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL824296;CHEMBL822165;CHEMBL3058327;CHEMBL678329;CHEMBL823916;CHEMBL3058330;CHEMBL685338;CHEMBL683047,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;DOI:10.1007/s00044-004-0033-7;PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:9767648,2004;2004;2004;2000;2000;2000;2000;1998;1998;2004;2000;1998;2004;1998;1998,0,0,0,1,0,,=,  8.400;  6.910;  6.700;  6.470;  6.910;  7.100;  8.400;  6.910;  6.700;  6.470;  6.700;  7.100;  7.100;  8.400;  6.470,7.1160000000000005,0.6759999999999999,0.18100000000000002,15.0,6.91,0.21
-UDLTUJYBFNCMJX_on_P31644_WT,Medium,ChEMBL30,CHEMBL518197,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9767648,1998.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UDLTUJYBFNCMJX_on_P34903_WT,Low,ChEMBL30,CHEMBL129855,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916;CHEMBL3058330,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7,2000;1998;2004,0,0,0,1,0,,=,  7.100;  7.100;  7.100,7.1,0.0,0.0,3.0,7.1,0.0
-UDLTUJYBFNCMJX_on_P47869_WT,Low,ChEMBL30,CHEMBL129855,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296;CHEMBL3058331,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7,2000;1998;2004,0,0,0,1,0,,=,  6.910;  6.910;  6.910,6.91,0.0,0.0,3.0,6.91,0.0
-UDLTUJYBFNCMJX_on_Q16445_WT,Low,ChEMBL30,CHEMBL129855,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1,UDLTUJYBFNCMJX,UDLTUJYBFNCMJX-UHFFFAOYSA-N,"InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3","""AuxInfo=1/0/N:1,23,24,25,2,10,9,18,17,20,11,21,26,28,19,15,16,8,6,7,13,4,29,12,27,14,5,3,22/E:(2,3,4)/rA:29CCOCOCCCCCCNCOCCCCCCCSiCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;t20;s21;s22;s22;s22;s15d19;s7s16;s27;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047;CHEMBL3058327,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;DOI:10.1007/s00044-004-0033-7,2000;1998;2004,0,0,0,1,0,,=,  6.470;  6.470;  6.470,6.47,0.0,0.0,3.0,6.47,0.0
-UDNFRXCDPYGWRA_on_P41594_WT,High,ChEMBL30,CHEMBL3122209,Cn1nc(-c2cnccc2)c2c1nc(OCc1ccccn1)cc2,UDNFRXCDPYGWRA,UDNFRXCDPYGWRA-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-23-18-15(17(22-23)13-5-4-9-19-11-13)7-8-16(21-18)24-12-14-6-2-3-10-20-14/h2-11H,12H2,1H3","""AuxInfo=1/0/N:1,19,20,9,10,18,24,23,8,21,6,16,5,17,11,14,4,12,7,22,13,3,2,15/rA:24CNNCCCNCCCCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-UDOWVKSGYVJYKH_on_P31644_WT,High,ChEMBL30,CHEMBL3676551,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2cccc(Cl)c2)no1,UDOWVKSGYVJYKH,UDOWVKSGYVJYKH-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O5S/c1-14-18(20(24-30-14)15-3-2-4-17(22)11-15)13-29-19-6-5-16(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h2-6,11-12H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,25,24,26,8,7,13,19,14,18,29,20,4,2,23,9,27,3,6,22,10,28,21,30,12,11,16,17,5,31,15/E:(7,8)(9,10)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s27;s23d27;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-UDQWWLXMUBQWGT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913233,c1cc2n[nH]c(Nc3nccs3)c2nc1,UDQWWLXMUBQWGT,UDQWWLXMUBQWGT-UHFFFAOYSA-N,"InChI=1S/C9H7N5S/c1-2-6-7(10-3-1)8(14-13-6)12-9-11-4-5-15-9/h1-5H,(H2,11,12,13,14)","""AuxInfo=1/1/N:1,2,15,10,11,3,13,6,8,14,9,7,4,5,12/rA:15CCCNNCNCNCCSCNC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s8s11;s3d6;s13;s1d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UDRVXLPNOJASJZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3952745,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)cc(C)n1,UDRVXLPNOJASJZ,UDRVXLPNOJASJZ-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(10-14(2)27-13)20-18-5-7-30-8-6-29(18)21(28-20)15-3-4-19(17(11-15)12-23)31-22(24,25)26/h3-4,9-11H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,7,11,8,10,3,28,26,24,2,29,14,4,23,6,17,5,13,19,25,20,21,22,31,27,12,9,18/E:(1,2)(9,10)(13,14)(24,25,26)/rA:31CCCCCCCCOCCNCCCCCOCFFFCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;s24;s14d23;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-UDTHRJKOOCPAOZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3900589,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OC(F)(F)F)c3)n2)cc(C)n1,UDTHRJKOOCPAOZ,UDTHRJKOOCPAOZ-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O2/c1-12-9-15(10-13(2)26-12)19-17-5-7-29-8-6-28(17)20(27-19)14-3-4-16(22)18(11-14)30-21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,2,28,14,4,17,6,19,5,13,21,18,22,23,24,30,26,12,9,20/E:(1,2)(9,10)(12,13)(23,24,25)/rA:30CCCCCCCCOCCNCCCCCClCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s21;s21;s14d19;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-UDWSIQSDTWFRQU_on_Q14416_WT,High,ChEMBL30,CHEMBL3961306,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(F)C2C(C(=O)O)C21,UDWSIQSDTWFRQU,UDWSIQSDTWFRQU-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2FNO5/c16-6-2-1-5(3-7(6)17)4-24-12-11(18)8-9(13(20)21)10(8)15(12,19)14(22)23/h1-3,8-12H,4,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,18,1,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-UDWSIQSDTWFRQU_on_Q14832_WT,High,ChEMBL30,CHEMBL3961306,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(F)C2C(C(=O)O)C21,UDWSIQSDTWFRQU,UDWSIQSDTWFRQU-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2FNO5/c16-6-2-1-5(3-7(6)17)4-24-12-11(18)8-9(13(20)21)10(8)15(12,19)14(22)23/h1-3,8-12H,4,19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,18,1,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-UDXUQALABLDFJJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3942033,O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccc3OCOc3c1)cs2,UDXUQALABLDFJJ,UDXUQALABLDFJJ-UHFFFAOYSA-N,"InChI=1S/C19H11ClN2O3S/c20-12-2-4-13(5-3-12)22-9-21-17-14(8-26-18(17)19(22)23)11-1-6-15-16(7-11)25-10-24-15/h1-9H,10H2","""AuxInfo=1/0/N:17,10,13,9,14,18,24,25,6,21,16,11,8,15,19,23,4,3,2,12,5,7,1,20,22,26/E:(2,3)(4,5)/rA:26OCCCNCNCCCCClCCCCCCCOCOCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;s15;d16;s17;d18;s19;s20;s21;s19s22;s16d23;d15;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-UDZMIXHTMJAVCK_on_P31644_WT,High,ChEMBL30,CHEMBL3675676,Cc1c(COc2nn(C)c(C(=O)NC3CCOCC3)c2)n(-c2ccc(F)cc2)nn1,UDZMIXHTMJAVCK,UDZMIXHTMJAVCK-UHFFFAOYSA-N,"InChI=1S/C20H23FN6O3/c1-13-18(27(25-23-13)16-5-3-14(21)4-6-16)12-30-19-11-17(26(2)24-19)20(28)22-15-7-9-29-10-8-15/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,9,24,27,23,28,15,19,16,18,20,4,2,25,14,22,10,3,6,11,26,13,30,7,29,8,21,12,17,5/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCOCNNCCCONCCCOCCCNCCCCFCCNN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s6d10;s3;s21;d22;s23;d24;s25;s25;s22d27;s21;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-UEARDZJPUVJQDY_on_P31644_WT,High,ChEMBL30,CHEMBL3675675,Cn1nc(OCc2c(-c3ccc(F)cc3)nnn2C)cc1C(=O)NC1CCOCC1,UEARDZJPUVJQDY,UEARDZJPUVJQDY-UHFFFAOYSA-N,"InChI=1S/C20H23FN6O3/c1-26-16(20(28)22-15-7-9-29-10-8-15)11-18(24-26)30-12-17-19(23-25-27(17)2)13-3-5-14(21)6-4-13/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,28)","""AuxInfo=1/1/N:1,19,10,15,11,14,26,30,27,29,20,6,9,12,25,21,7,4,8,22,13,24,16,3,17,2,18,23,28,5/E:(3,4)(5,6)(7,8)(9,10)/rA:30CNNCOCCCCCCCFCCNNNCCCCONCCCOCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s7s17;s18;s4;s2d20;s21;d22;s22;s24;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705192,PATENT:US8697696B2,2014.0,PATENT:US8697696B2,2014,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-UEBDAHFOLOMMDI_on_P14867_WT,Low,ChEMBL30,CHEMBL297370,Cc1csc(-c2cc(-c3nnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,UEBDAHFOLOMMDI,UEBDAHFOLOMMDI-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(24-13)16-10-15(18-5-2-7-23-25-18)19-17-11-22-8-6-14(17)4-3-9-26(19)21(16)27/h2,5-8,10-12H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,13,23,22,14,18,12,19,24,7,21,3,2,17,8,6,16,9,15,5,26,20,11,28,10,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-UEBDAHFOLOMMDI_on_P18507_WT,Low,ChEMBL30,CHEMBL297370,Cc1csc(-c2cc(-c3nnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,UEBDAHFOLOMMDI,UEBDAHFOLOMMDI-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(24-13)16-10-15(18-5-2-7-23-25-18)19-17-11-22-8-6-14(17)4-3-9-26(19)21(16)27/h2,5-8,10-12H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,13,23,22,14,18,12,19,24,7,21,3,2,17,8,6,16,9,15,5,26,20,11,28,10,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.580;  7.760,7.67,0.09,0.09,2.0,7.67,0.09
-UEBDAHFOLOMMDI_on_P28472_WT,Low,ChEMBL30,CHEMBL297370,Cc1csc(-c2cc(-c3nnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,UEBDAHFOLOMMDI,UEBDAHFOLOMMDI-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(24-13)16-10-15(18-5-2-7-23-25-18)19-17-11-22-8-6-14(17)4-3-9-26(19)21(16)27/h2,5-8,10-12H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,13,23,22,14,18,12,19,24,7,21,3,2,17,8,6,16,9,15,5,26,20,11,28,10,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.760;  7.580,7.67,0.09,0.09,2.0,7.67,0.09
-UEBDAHFOLOMMDI_on_P34903_WT,Low,ChEMBL30,CHEMBL297370,Cc1csc(-c2cc(-c3nnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,UEBDAHFOLOMMDI,UEBDAHFOLOMMDI-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(24-13)16-10-15(18-5-2-7-23-25-18)19-17-11-22-8-6-14(17)4-3-9-26(19)21(16)27/h2,5-8,10-12H,3-4,9H2,1H3","""AuxInfo=1/0/N:1,13,23,22,14,18,12,19,24,7,21,3,2,17,8,6,16,9,15,5,26,20,11,28,10,25,27,4/rA:28CCCSCCCCCNNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-UEBWKQKQZBKEIH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3966945,Cc1c(S(=O)(=O)Cc2cc(F)ccc2F)sc(NC(=O)c2ccccn2)n1,UEBWKQKQZBKEIH,UEBWKQKQZBKEIH-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S2/c1-10-16(27(24,25)9-11-8-12(18)5-6-13(11)19)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,12,13,25,9,7,2,8,10,14,21,19,3,17,11,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCFCCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;s10;d10;s12;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-UEBZANDYSXODPF_on_P41594_WT,Low,ChEMBL30,CHEMBL248210,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC(F)(F)F)cc1,UEBZANDYSXODPF,UEBZANDYSXODPF-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O2/c1-12-24-17-16(11-23-26(17)14-5-3-2-4-6-14)18(27)25(12)13-7-9-15(10-8-13)28-19(20,21)22/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,28,20,27,6,2,18,9,21,5,4,15,23,24,25,26,7,3,17,8,16,22/E:(3,4)(5,6)(7,8)(9,10)(20,21,22)/rA:28CCNCCCNNCCCCCCCONCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s22;s23;s23;s23;s21;s18d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UEBZANDYSXODPF_on_Q13255_WT,Low,ChEMBL30,CHEMBL248210,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC(F)(F)F)cc1,UEBZANDYSXODPF,UEBZANDYSXODPF-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O2/c1-12-24-17-16(11-23-26(17)14-5-3-2-4-6-14)18(27)25(12)13-7-9-15(10-8-13)28-19(20,21)22/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,19,28,20,27,6,2,18,9,21,5,4,15,23,24,25,26,7,3,17,8,16,22/E:(3,4)(5,6)(7,8)(9,10)(20,21,22)/rA:28CCNCCCNNCCCCCCCONCCCCOCFFFCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s22;s23;s23;s23;s21;s18d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UEJDZDZICOULPN_on_Q14416_WT,High,ChEMBL30,CHEMBL3884936,CC(C)(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(Cl)cc1,UEJDZDZICOULPN,UEJDZDZICOULPN-UHFFFAOYSA-N,"InChI=1S/C21H21ClF3N3O/c1-20(2,14-5-7-15(22)8-6-14)12-29-16-9-10-28-17(11-13-3-4-13)26-27-19(28)18(16)21(23,24)25/h5-10,13H,3-4,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,18,19,24,29,25,28,22,21,16,4,17,23,26,6,15,7,12,2,8,27,9,10,11,14,13,20,5/E:(1,2)(3,4)(5,6)(7,8)(23,24,25)/rA:29CCCCOCCCFFFCNNCCCCCNCCCCCCClCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s8;s8;s7;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s6d21;s2;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-UEKJWQSMBUORNB_on_P41594_WT,Low,ChEMBL30,CHEMBL255749,CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(C(F)(F)F)cc3)c2c1,UEKJWQSMBUORNB,UEKJWQSMBUORNB-UHFFFAOYSA-N,"InChI=1S/C20H15F3N2O2/c1-3-27-19(26)15-10-18-17(24-13(2)11-25(18)12-15)9-6-14-4-7-16(8-5-14)20(21,22)23/h4-5,7-8,10-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,17,25,15,18,24,14,27,9,7,10,16,6,19,13,26,4,20,21,22,23,12,8,5,3/E:(4,5)(7,8)(21,22,23)/rA:27CCOCOCCNCCCNCCCCCCCCFFFCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s8s13;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-UEKPAIMMZMCKSL_on_P41594_WT,High,ChEMBL30,CHEMBL596589,CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1,UEKPAIMMZMCKSL,UEKPAIMMZMCKSL-UHFFFAOYSA-N,"InChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,5,2,4,9,15,18,14,19,10,21,8,16,13,11,6,17,20,12,3,7/E:(1,2)(3,4)(6,7)(8,9)/rA:21CCNCCCOCCCCNCCCCClCCNC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s8d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-UELFYHQXZBSMTA_on_Q14416_WT,High,ChEMBL30,CHEMBL3805718,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1ccccc1)cc2,UELFYHQXZBSMTA,UELFYHQXZBSMTA-UHFFFAOYSA-N,"InChI=1S/C25H31N5O2/c1-25(2,3)16-30-20-12-13-21(26-22(20)27(4)24(30)32)28-14-19-11-10-18(28)15-29(19)23(31)17-8-6-5-7-9-17/h5-9,12-13,18-19H,10-11,14-16H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,28,27,29,26,30,19,18,32,31,16,21,6,25,20,17,11,14,12,23,3,7,13,2,15,22,5,24,4/E:(1,2,3)(6,7)(8,9)/rA:32CNCONCCCCCCCNCNCCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;d27;s28;s25d29;s14;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-UELNGFMXPALPOW_on_P41594_WT,High,ChEMBL30,CHEMBL379140,Clc1ccc(Sc2ccnc(-c3ncccc3)c2)cc1Cl,UELNGFMXPALPOW,UELNGFMXPALPOW-UHFFFAOYSA-N,InChI=1S/C16H10Cl2N2S/c17-13-5-4-11(9-14(13)18)21-12-6-8-20-16(10-12)15-3-1-2-7-19-15/h1-10H,"""AuxInfo=1/0/N:16,15,17,4,3,8,14,9,19,18,5,7,2,20,12,11,1,21,13,10,6/rA:21ClCCCCSCCCNCCNCCCCCCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s5;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-UENHWLHPOKTWPL_on_P18505_WT,Low,ChEMBL30,CHEMBL4238712,O=C(c1ccc2ccccc2c1)C(F)(F)C(NS(=O)(=O)c1ccccc1)c1ccccc1,UENHWLHPOKTWPL,UENHWLHPOKTWPL-UHFFFAOYSA-N,"InChI=1S/C25H19F2NO3S/c26-25(27,24(29)21-16-15-18-9-7-8-12-20(18)17-21)23(19-10-3-1-4-11-19)28-32(30,31)22-13-5-2-6-14-22/h1-17,23,28H","""AuxInfo=1/0/N:30,24,29,31,23,25,8,9,7,28,32,10,22,26,5,4,12,6,27,11,3,21,16,2,13,14,15,17,1,19,20,18/E:(3,4)(5,6)(10,11)(13,14)(26,27)(30,31)/CRV:32.6/rA:32OCCCCCCCCCCCCFFCNSOOCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s6s10;s3d11;s2;s13;s13;s13;s16;s17;d18;d18;s18;d21;s22;d23;s24;s21d25;s16;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-UENHWLHPOKTWPL_on_P47870_WT,Low,ChEMBL30,CHEMBL4238712,O=C(c1ccc2ccccc2c1)C(F)(F)C(NS(=O)(=O)c1ccccc1)c1ccccc1,UENHWLHPOKTWPL,UENHWLHPOKTWPL-UHFFFAOYSA-N,"InChI=1S/C25H19F2NO3S/c26-25(27,24(29)21-16-15-18-9-7-8-12-20(18)17-21)23(19-10-3-1-4-11-19)28-32(30,31)22-13-5-2-6-14-22/h1-17,23,28H","""AuxInfo=1/0/N:30,24,29,31,23,25,8,9,7,28,32,10,22,26,5,4,12,6,27,11,3,21,16,2,13,14,15,17,1,19,20,18/E:(3,4)(5,6)(10,11)(13,14)(26,27)(30,31)/CRV:32.6/rA:32OCCCCCCCCCCCCFFCNSOOCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s6s10;s3d11;s2;s13;s13;s13;s16;s17;d18;d18;s18;d21;s22;d23;s24;s21d25;s16;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,=,  4.490,4.49,0.0,0.0,1.0,4.49,0.0
-UENOGSSQXGNAAF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3911499,CN1C(=O)C(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,UENOGSSQXGNAAF,UENOGSSQXGNAAF-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)10-16(18(24)23(19)3)17-21-11-14(12-22-17)5-4-13-6-8-15(20)9-7-13/h6-9,11-12,16H,10H2,1-3H3","""AuxInfo=1/0/N:23,24,1,11,10,13,18,14,17,21,8,19,12,9,15,5,6,3,22,16,7,20,2,4/E:(1,2)(6,7)(8,9)(11,12)(21,22)/rA:24CNCOCCNCCCCCCCCFCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-UEOOCEWTSIQATM_on_P41594_WT,High,ChEMBL30,CHEMBL3805652,COc1cccc(C2OC(=O)NC2c2cc(C#Cc3ccccc3)ccc2)c1,UEOOCEWTSIQATM,UEOOCEWTSIQATM-UHFFFAOYSA-N,"InChI=1S/C24H19NO3/c1-27-21-12-6-11-20(16-21)23-22(25-24(26)28-23)19-10-5-9-18(15-19)14-13-17-7-3-2-4-8-17/h2-12,15-16,22-23H,1H3,(H,25,26)","""AuxInfo=1/1/N:1,22,21,23,26,5,20,24,25,27,6,4,18,17,15,28,19,16,14,7,3,13,8,10,12,11,2,9/E:(3,4)(7,8)/rA:28COCCCCCCOCONCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s8s12;s13;d14;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;d16;s25;s14d26;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807498;CHEMBL3807497,PMID:26985317,2016.0,PMID:26985317,2016,0,0;1,0,1;0,0,,=,  7.890;  7.540,7.715,0.175,0.175,2.0,7.715,0.175
-UEUKQZXLBISYPI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3902752,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1,UEUKQZXLBISYPI,UEUKQZXLBISYPI-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c24-17-8-6-16(7-9-17)20-14-22(23(25)28)27-21-13-15(5-11-19(20)21)4-10-18-3-1-2-12-26-18/h1-3,5-9,11-14H,4,10H2,(H2,25,28)","""AuxInfo=1/1/N:22,23,21,18,16,8,13,9,12,19,15,24,26,5,17,7,10,20,14,6,27,4,2,11,1,25,28,3/E:(6,7)(8,9)/rA:28NCOCCCCCCCFCCCCCCCCCCCCCNCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-UEUUWJVQGWZIJY_on_P41594_WT,High,ChEMBL30,CHEMBL3314850,O=C(Nc1cncc(Oc2cncnc2)n1)c1nccc(Cl)c1,UEUUWJVQGWZIJY,UEUUWJVQGWZIJY-UHFFFAOYSA-N,"InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)","""AuxInfo=1/1/N:20,19,23,11,15,5,7,13,21,10,17,4,8,2,22,6,12,14,18,16,3,1,9/E:(4,5)(17,18)/rA:23OCNCCNCCOCCNCNCNCNCCCClC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;d19;s20;s21;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3363398,PMID:24969015,2014.0,PMID:24969015,2014,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-UEWJNCQNAKADLG_on_P41594_WT,High,ChEMBL30,CHEMBL3655657,CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1,UEWJNCQNAKADLG,UEWJNCQNAKADLG-UHFFFAOYSA-N,"InChI=1S/C19H16N6O/c1-2-25(18-11-22-13-23-12-18)17-7-16(9-21-10-17)24-19(26)15-5-3-4-14(6-15)8-20/h3-7,9-13H,2H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,2,20,21,19,25,26,23,13,11,5,9,7,22,18,14,10,4,16,24,12,6,8,15,3,17/E:(11,12)(22,23)/rA:26CCNCCNCNCCCNCCNCOCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s3;d10;s11;d12;s13;s14;s15;d16;s16;d18;s19;d20;s21;s22;t23;s18d22;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-UEWSJGMYAPQKKT_on_O00591_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_O14764_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P14867_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P18505_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P18507_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P28472_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P31644_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P34903_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P47869_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P47870_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P48169_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_P78334_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_Q16445_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEWSJGMYAPQKKT_on_Q99928_WT,Low,ChEMBL30,CHEMBL191978,O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12,UEWSJGMYAPQKKT,UEWSJGMYAPQKKT-UHFFFAOYSA-N,"InChI=1S/C15H8ClFN4O2/c16-9-3-6-11-12(7-9)20-14(22)13(19-21(20)15(23)18-11)8-1-4-10(17)5-2-8/h1-7H,(H,18,23)","""AuxInfo=1/1/N:16,21,9,17,20,10,6,15,7,18,4,5,14,12,2,8,19,3,22,11,23,13,1/E:(1,2)(4,5)/rA:23OCNCCCCClCCNCOCCCCCFCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s5;s11;d12;s12;s14;d15;s16;d17;s18;s18;s15d20;d14;s2s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UEZKLVJCHCGFOJ_on_P41594_WT,High,ChEMBL30,CHEMBL1808884,COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1,UEZKLVJCHCGFOJ,UEZKLVJCHCGFOJ-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2S/c1-26-18-9-16(13-4-2-5-14(21)8-13)23-10-15(18)17-6-3-7-24(17)20(25)19-11-22-12-27-19/h2,4-5,8-12,17H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,8,18,7,9,17,19,12,4,14,24,26,6,10,15,5,16,3,23,21,11,25,13,20,22,2,27/rA:27COCCCCCCCCClCNCCCCCCNCOCCNCS/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s6d10;d5;s13;s3d14;s15;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  8.100;  7.700,7.9,0.2,0.2,2.0,7.9,0.2
-UFAAMQPUYKMGBY_on_P14867_WT,Medium,ChEMBL30,CHEMBL458317,CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)n1,UFAAMQPUYKMGBY,UFAAMQPUYKMGBY-UHFFFAOYSA-N,"InChI=1S/C15H12ClN3O2S3/c1-22-15-17-9-8-12(18-15)13-6-7-14(23-13)24(20,21)19-11-4-2-10(16)3-5-11/h2-9,19H,1H3","""AuxInfo=1/0/N:1,18,21,17,22,9,10,6,5,19,16,7,8,11,3,20,4,24,15,13,14,2,23,12/E:(2,3)(4,5)(20,21)/CRV:24.6/rA:24CSCNCCCCCCCSOONCCCCClCCSN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;d12;s12;s15;d16;s17;d18;s19;s19;s16d21;s8s11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991888,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-UFAAMQPUYKMGBY_on_P31644_WT,Low,ChEMBL30,CHEMBL458317,CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)n1,UFAAMQPUYKMGBY,UFAAMQPUYKMGBY-UHFFFAOYSA-N,"InChI=1S/C15H12ClN3O2S3/c1-22-15-17-9-8-12(18-15)13-6-7-14(23-13)24(20,21)19-11-4-2-10(16)3-5-11/h2-9,19H,1H3","""AuxInfo=1/0/N:1,18,21,17,22,9,10,6,5,19,16,7,8,11,3,20,4,24,15,13,14,2,23,12/E:(2,3)(4,5)(20,21)/CRV:24.6/rA:24CSCNCCCCCCCSOONCCCCClCCSN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;d12;s12;s15;d16;s17;d18;s19;s19;s16d21;s8s11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991889,PMID:18537233,2008.0,PMID:18537233,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UFBHHFPCEQVCFD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11379364;CHEMBL214875,Cc1nc(C#CCN(C)c2ccccc2)ccc1,UFBHHFPCEQVCFD,UFBHHFPCEQVCFD-UHFFFAOYSA-N,"InChI=1S/C16H16N2/c1-14-8-6-9-15(17-14)10-7-13-18(2)16-11-4-3-5-12-16/h3-6,8-9,11-12H,13H2,1-2H3","""AuxInfo=1/0/N:1,9,13,12,14,17,6,18,16,5,11,15,7,2,4,10,3,8/E:(4,5)(11,12)/rA:18CCNCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;s8;d10;s11;d12;s13;s10d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:270780;CHEMBL856303,PMID:16837196,2006.0,PubChemAID:270780;PMID:16837196,2010;2006,0;1,0,0,0,1;0,,=,  5.172;  5.170,5.171,0.001,0.001,2.0,5.171,0.001
-UFCNJVJACAZTTK_on_Q13255_WT,High,ChEMBL30,CHEMBL3759573,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)ncs1,UFCNJVJACAZTTK,UFCNJVJACAZTTK-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O3S/c1-9-14(21-8-27-9)16(24)22-10-4-5-13(12(19)7-10)23-17(25)11-3-2-6-20-15(11)18(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,8,9,17,24,26,2,7,14,22,10,3,15,4,12,20,23,16,25,6,11,5,13,21,27/rA:27CCCCONCCCCNCOCCNCCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.720;  6.720,6.72,0.0,0.0,2.0,6.72,0.0
-UFCNJVJACAZTTK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759573,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)ncs1,UFCNJVJACAZTTK,UFCNJVJACAZTTK-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O3S/c1-9-14(21-8-27-9)16(24)22-10-4-5-13(12(19)7-10)23-17(25)11-3-2-6-20-15(11)18(23)26/h2-8H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,8,9,17,24,26,2,7,14,22,10,3,15,4,12,20,23,16,25,6,11,5,13,21,27/rA:27CCCCONCCCCNCOCCNCCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UFFWAFAEVCQASF_on_P31644_WT,High,ChEMBL30,CHEMBL3676535,Cc1c(COc2ccc(C(=O)NCC(F)(F)C(F)(F)F)cn2)c(-c2ccccc2F)no1,UFFWAFAEVCQASF,UFFWAFAEVCQASF-UHFFFAOYSA-N,"InChI=1S/C20H15F6N3O3/c1-11-14(17(29-32-11)13-4-2-3-5-15(13)21)9-31-16-7-6-12(8-27-16)18(30)28-10-19(22,23)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30)","""AuxInfo=1/1/N:1,26,27,25,28,8,7,21,4,13,2,9,24,3,29,6,23,10,14,17,30,15,16,18,19,20,22,12,31,11,5,32/E:(22,23)(24,25,26)/rA:32CCCCOCCCCCONCCFFCFFFCNCCCCCCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s17;s17;s17;s9;s6d21;s3;s23;d24;s25;d26;s27;s24d28;s29;d23;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-UFGGNIMGPVLCJZ_on_O00591_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_O14764_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P14867_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P18505_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P18507_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P28472_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P31644_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P34903_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P47869_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P47870_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P48169_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_P78334_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFGGNIMGPVLCJZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL54228,COc1ncc2[nH]c3c(cccc3)c2c1,UFGGNIMGPVLCJZ,UFGGNIMGPVLCJZ-UHFFFAOYSA-N,"InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3","""AuxInfo=1/0/N:1,11,12,10,13,15,5,9,14,8,6,3,4,7,2/rA:15COCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;s6s9;s3d14;/rC:;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-UFINAPSFMGVQKV_on_P41594_WT,High,ChEMBL30,CHEMBL3702370,COc1ccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)cc1,UFINAPSFMGVQKV,UFINAPSFMGVQKV-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-25-15-8-6-14(7-9-15)18-12-19-16-4-3-5-20(26-2)17(16)10-11-23(19)21(24)13-22-18/h3-9,12H,10-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,18,17,19,5,25,4,26,14,13,24,9,6,3,16,15,7,23,20,10,8,12,11,2,21/E:(6,7)(8,9)/rA:26COCCCCCNCCONCCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s12s16;s7w?23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-UFINAPSFMGVQKV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702370,COc1ccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)cc1,UFINAPSFMGVQKV,UFINAPSFMGVQKV-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3/c1-25-15-8-6-14(7-9-15)18-12-19-16-4-3-5-20(26-2)17(16)10-11-23(19)21(24)13-22-18/h3-9,12H,10-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,18,17,19,5,25,4,26,14,13,24,9,6,3,16,15,7,23,20,10,8,12,11,2,21/E:(6,7)(8,9)/rA:26COCCCCCNCCONCCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s12s16;s7w?23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UFLGFAJSQNVAES_on_P31644_WT,High,ChEMBL30,CHEMBL3676530,Cc1c(COc2ccc(C(=O)NCc3cc(C(C)C)no3)cn2)c(-c2ccccc2)no1,UFLGFAJSQNVAES,UFLGFAJSQNVAES-UHFFFAOYSA-N,"InChI=1S/C24H24N4O4/c1-15(2)21-11-19(32-27-21)13-26-24(29)18-9-10-22(25-12-18)30-14-20-16(3)31-28-23(20)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,26,29)","""AuxInfo=1/1/N:18,19,1,28,27,29,26,30,8,7,15,22,13,4,17,2,25,9,14,3,16,6,24,10,23,12,20,31,11,5,32,21/E:(1,2)(5,6)(7,8)/rA:32CCCCOCCCCCONCCCCCCCNOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;s16;s17;s17;d16;s14s20;s9;s6d22;s3;s24;d25;s26;d27;s28;s25d29;d24;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-UFMSTJBWDWHPDG_on_Q13255_WT,High,ChEMBL30,CHEMBL1951687,COc1ccc(-n2ccc3c(sc4c3c(N(C)CCO)ccn4)c2=O)cc1,UFMSTJBWDWHPDG,UFMSTJBWDWHPDG-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3S/c1-22(11-12-24)16-7-9-21-19-17(16)15-8-10-23(20(25)18(15)27-19)13-3-5-14(26-2)6-4-13/h3-10,24H,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,5,26,4,27,21,9,22,8,18,19,6,3,10,15,14,11,13,24,23,16,7,20,25,2,12/E:(3,4)(5,6)/rA:27COCCCCNCCCCSCCCNCCCOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;s18;s19;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-UFOUABRZSDGGAZ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30,9931205;CHEMBL366217;CHEMBL366217;CHEMBL366217,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1O,UFOUABRZSDGGAZ,UFOUABRZSDGGAZ-UHFFFAOYSA-N,"InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)","""AuxInfo=1/1/N:18,19,25,26,17,20,24,27,6,5,9,11,10,7,16,15,23,4,28,2,21,13,8,3,12,29,1,22,14/E:(1,2)(5,6)(15,16)(21,22)(28,29)/rA:29OCNCCCCClCCCNCOCCCCCCCOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:773852;CHEMBL829868;CHEMBL2433924;CHEMBL903194,PMID:15537338,2004.0,PubChemAID:773852;PMID:15537338;PMID:24050755;PMID:17210250,2014;2004;2013;2007,0,0;1;1;1,0,0,1;0;0;0,,=,  6.824;  6.520;  6.820;  6.600,6.691,0.134,0.077,4.0,6.71,0.11199999999999999
-UFTKNTUWDMJOIX_on_O00591_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_O14764_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_P14867_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075;CHEMBL678329,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  8.400;  8.960,8.68,0.28,0.28,2.0,8.68,0.28
-UFTKNTUWDMJOIX_on_P18505_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_P18507_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075;CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL678329,PMID:9435905,1997.0,PMID:9435905;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1997;2000;2000;2000;2000,1;0;0;0;0,0,0,0;1;1;1;1,0,,=,  8.400;  8.960;  8.920;  7.390;  8.960,8.526,0.606,0.303,5.0,8.92,0.04
-UFTKNTUWDMJOIX_on_P28472_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL650075,PMID:9435905,1997.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9435905,2000;2000;2000;2000;1997,0;0;0;0;1,0,0,1;1;1;1;0,0,,=,  7.390;  8.920;  8.960;  8.960;  8.400,8.526,0.606,0.303,5.0,8.92,0.04
-UFTKNTUWDMJOIX_on_P31644_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075;CHEMBL681480,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  8.400;  7.390,7.895,0.505,0.505,2.0,7.895,0.505
-UFTKNTUWDMJOIX_on_P34903_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL682251,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  8.400;  8.960,8.68,0.28,0.28,2.0,8.68,0.28
-UFTKNTUWDMJOIX_on_P47869_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075;CHEMBL681248,PMID:9435905,1997.0,PMID:9435905;PMID:10633039,1997;2000,1;0,0,0,0;1,0,,=,  8.400;  8.920,8.66,0.26,0.26,2.0,8.66,0.26
-UFTKNTUWDMJOIX_on_P47870_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_P48169_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_P78334_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_Q16445_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UFTKNTUWDMJOIX_on_Q99928_WT,Low,ChEMBL30,CHEMBL301605,c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1,UFTKNTUWDMJOIX,UFTKNTUWDMJOIX-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H","""AuxInfo=1/0/N:18,6,19,1,17,5,20,2,12,16,4,15,3,11,10,7,8,13,14,9/rA:20CCCCCCCCNCCCNNCCCCCC/rB:d1;s2;d3;s4;s1d5;s4;d7;s3s8;s8;d10;s11;s7d12;s11;s14;s10d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UGBJGGRINDTHIH_on_P14867_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678325,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-UGBJGGRINDTHIH_on_P18507_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681094;CHEMBL682825;CHEMBL682715;CHEMBL679474;CHEMBL682418;CHEMBL678325,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.699;  4.190;  4.580;  4.700;  4.700;  4.400,4.378,0.35200000000000004,0.158,6.0,4.49,0.21
-UGBJGGRINDTHIH_on_P28472_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL679474;CHEMBL682418;CHEMBL682825;CHEMBL678325;CHEMBL682715;CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.700;  4.700;  4.190;  4.400;  4.580;  3.699,4.378,0.35200000000000004,0.158,6.0,4.49,0.21
-UGBJGGRINDTHIH_on_P31644_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL679474,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-UGBJGGRINDTHIH_on_P34903_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682825,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.190,4.19,0.0,0.0,1.0,4.19,0.0
-UGBJGGRINDTHIH_on_P47869_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682715,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.580,4.58,0.0,0.0,1.0,4.58,0.0
-UGBJGGRINDTHIH_on_P48169_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681094,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  3.699,3.699,0.0,0.0,1.0,3.699,0.0
-UGBJGGRINDTHIH_on_Q16445_WT,Low,ChEMBL30,CHEMBL34155,O=S(=O)(O)C1CCNCC1,UGBJGGRINDTHIH,UGBJGGRINDTHIH-UHFFFAOYSA-N,"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)","""AuxInfo=1/1/N:6,10,7,9,5,8,1,3,4,2/E:(1,2)(3,4)(7,8,9)/CRV:10.6/rA:10OSOOCCCNCC/rB:d1;d2;s2;s2;s5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL682418,PMID:11412984,2001.0,PMID:11412984,2001,0,1,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-UGHWRPXZRCYTTI_on_P14867_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.000;  8.000,8.0,0.0,0.0,2.0,8.0,0.0
-UGHWRPXZRCYTTI_on_P18507_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL678329;CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  7.720;  7.350;  8.220;  8.000;  8.000;  7.350;  8.220;  7.720,7.822,0.325,0.12300000000000001,8.0,7.86,0.25
-UGHWRPXZRCYTTI_on_P28472_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL682251;CHEMBL678329;CHEMBL685338;CHEMBL823916;CHEMBL824296;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  8.220;  7.350;  7.720;  8.000;  8.220;  7.720;  7.350;  8.000,7.822,0.325,0.12300000000000001,8.0,7.86,0.25
-UGHWRPXZRCYTTI_on_P31644_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-UGHWRPXZRCYTTI_on_P34903_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.720;  7.720,7.72,0.0,0.0,2.0,7.72,0.0
-UGHWRPXZRCYTTI_on_P47869_WT,Low,ChEMBL30,CHEMBL132529,CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1,UGHWRPXZRCYTTI,UGHWRPXZRCYTTI-UHFFFAOYSA-N,"InChI=1S/C16H14N4O3/c1-3-23-16(22)14-13-8-19(2)15(21)11-6-10(7-17)4-5-12(11)20(13)9-18-14/h4-6,9H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,10,2,16,15,20,18,8,22,17,13,14,7,6,11,4,19,23,9,21,12,5,3/rA:23CCOCOCCCNCCOCCCCCCNCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;t18;s13d17;s7s14;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.350;  7.350,7.35,0.0,0.0,2.0,7.35,0.0
-UGNGYXRNKAYWJE_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL272069;44453345,Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2)n1,UGNGYXRNKAYWJE,UGNGYXRNKAYWJE-UHFFFAOYSA-N,"InChI=1S/C21H19N3O/c1-16-14-24-15-18(21(25)23-11-5-6-12-23)13-20(24)19(22-16)10-9-17-7-3-2-4-8-17/h2-4,7-8,13-15H,5-6,11-12H2,1H3","""AuxInfo=1/0/N:1,22,21,23,11,12,20,24,18,17,10,13,14,3,5,2,19,6,16,15,7,25,9,4,8/E:(3,4)(5,6)(7,8)(11,12)/rA:25CCCNCCCONCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s6;s4d14;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-UGOYQGZFKZQDAH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3919896,CCN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C,UGOYQGZFKZQDAH,UGOYQGZFKZQDAH-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,14,13,15,11,10,8,7,18,19,12,9,16,6,4,21,17,20,3,5/E:(2,3,4)/rA:24CCNCOCCCCCCCCCCCClCCNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544,PATENT:US9359301B2,2016.0,PATENT:US9359301B2,2016,0,1;0,0,0;1,0,,=,  7.620;  7.620,7.62,0.0,0.0,2.0,7.62,0.0
-UGPKILZIIJMWGQ_on_O15399_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_O60391_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPKILZIIJMWGQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL41291,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1,UGPKILZIIJMWGQ,UGPKILZIIJMWGQ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3/c21-13-10-16-18(22-11-13)19(24)17(20(25)23-16)12-5-4-8-15(9-12)26-14-6-2-1-3-7-14/h1-11H,(H2,23,24,25)","""AuxInfo=1/1/N:21,20,22,25,26,19,23,24,15,10,7,14,8,18,16,4,13,5,11,2,9,6,3,12,1,17/E:(2,3)(6,7)/rA:26OCNCCNCCClCCOCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UGPSKGCPOSSSRI_on_P41594_WT,High,ChEMBL30,CHEMBL3702391,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C#N)C3=C2)n1,UGPSKGCPOSSSRI,UGPSKGCPOSSSRI-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-22-7-6-15(21-22)16-9-17-14-4-2-3-12(10-19)13(14)5-8-23(17)18(24)11-20-16/h2-4,6-7,9H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,13,4,3,12,23,20,8,19,14,15,5,6,22,9,21,7,24,2,11,10/rA:24CNCCCCNCCONCCCCCCCCCNCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;s11s15;s6w?22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-UGPSKGCPOSSSRI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702391,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C#N)C3=C2)n1,UGPSKGCPOSSSRI,UGPSKGCPOSSSRI-UHFFFAOYSA-N,"InChI=1S/C18H15N5O/c1-22-7-6-15(21-22)16-9-17-14-4-2-3-12(10-19)13(14)5-8-23(17)18(24)11-20-16/h2-4,6-7,9H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,13,4,3,12,23,20,8,19,14,15,5,6,22,9,21,7,24,2,11,10/rA:24CNCCCCNCCONCCCCCCCCCNCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;s11s15;s6w?22;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UGPTWQKBGHJFKJ_on_P41594_WT,High,ChEMBL30,CHEMBL3644363,COC(C)c1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,UGPTWQKBGHJFKJ,UGPTWQKBGHJFKJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-15-5-6-17(23)22(14-3-4-14)16(15)7-8-27(19)21(28)10-24-20/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3","""AuxInfo=1/0/N:4,1,24,25,18,19,15,14,27,10,6,28,3,23,17,16,20,5,26,8,11,22,21,9,29,7,13,12,2/E:(3,4)/rA:29COCCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s22;s23;s23s24;s13s17;s8w?26;s7;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-UGPTWQKBGHJFKJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644363,COC(C)c1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1,UGPTWQKBGHJFKJ,UGPTWQKBGHJFKJ-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-15-5-6-17(23)22(14-3-4-14)16(15)7-8-27(19)21(28)10-24-20/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3","""AuxInfo=1/0/N:4,1,24,25,18,19,15,14,27,10,6,28,3,23,17,16,20,5,26,8,11,22,21,9,29,7,13,12,2/E:(3,4)/rA:29COCCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s22;s23;s23s24;s13s17;s8w?26;s7;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-UGSGONUQALTCTR_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647571,CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1,UGSGONUQALTCTR,UGSGONUQALTCTR-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O2S/c1-23-30(28,29)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-25-26-21-20(18)24-12-27(21)15-5-6-15/h2-4,7-12,15,23H,5-6H2,1H3","""AuxInfo=1/0/N:1,8,29,25,23,24,7,30,26,11,14,20,9,12,22,6,10,13,27,18,17,28,2,19,15,16,21,4,5,3/E:(2,3)(5,6)(7,8)(28,29)/CRV:30.6/rA:30CNSOOCCCCCCCCCNNCCNCNCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22s23;d12;s25;s10d26;s27;s9;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UGSUFDXXEFPHSA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112663,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1Cl,UGSUFDXXEFPHSA,UGSUFDXXEFPHSA-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O2/c1-13-7-15(8-16(10-24)26-13)21-19-5-6-30-17(11-25)12-28(19)22(27-21)14-3-4-18(23)20(9-14)29-2/h3-4,7-9,17H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:12,1,27,28,19,20,10,17,4,15,23,25,11,5,9,14,22,29,18,3,8,6,30,16,24,13,7,26,2,21/rA:30COCCCCNCCCCCNCCFCCCCOCCFCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s23;s22;s6s18s25;d5;s27;s3d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-UGTWYGSNMUJMKL_on_P14867_WT,Low,ChEMBL30,CHEMBL146075,O=C(OCc1ccccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UGTWYGSNMUJMKL,UGTWYGSNMUJMKL-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c24-18-9-5-4-8-16(18)20-13-28-21(25-20)17-12-27(11-10-19(17)26-22(28)29)23(30)31-14-15-6-2-1-3-7-15/h1-9,13H,10-12,14H2,(H,26,29)","""AuxInfo=1/1/N:8,7,9,25,24,6,10,26,23,13,12,16,27,4,5,20,15,21,14,19,17,29,2,22,18,31,11,28,30,1,3/E:(2,3)(6,7)/rA:31OCOCCCCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,>,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-UGTWYGSNMUJMKL_on_P31644_WT,Medium,ChEMBL30,CHEMBL146075,O=C(OCc1ccccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UGTWYGSNMUJMKL,UGTWYGSNMUJMKL-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c24-18-9-5-4-8-16(18)20-13-28-21(25-20)17-12-27(11-10-19(17)26-22(28)29)23(30)31-14-15-6-2-1-3-7-15/h1-9,13H,10-12,14H2,(H,26,29)","""AuxInfo=1/1/N:8,7,9,25,24,6,10,26,23,13,12,16,27,4,5,20,15,21,14,19,17,29,2,22,18,31,11,28,30,1,3/E:(2,3)(6,7)/rA:31OCOCCCCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UGTWYGSNMUJMKL_on_P47869_WT,Low,ChEMBL30,CHEMBL146075,O=C(OCc1ccccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UGTWYGSNMUJMKL,UGTWYGSNMUJMKL-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c24-18-9-5-4-8-16(18)20-13-28-21(25-20)17-12-27(11-10-19(17)26-22(28)29)23(30)31-14-15-6-2-1-3-7-15/h1-9,13H,10-12,14H2,(H,26,29)","""AuxInfo=1/1/N:8,7,9,25,24,6,10,26,23,13,12,16,27,4,5,20,15,21,14,19,17,29,2,22,18,31,11,28,30,1,3/E:(2,3)(6,7)/rA:31OCOCCCCCCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,>,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-UGWWNQSCHADXMJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL442701,COc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,UGWWNQSCHADXMJ,UGWWNQSCHADXMJ-UHFFFAOYSA-N,"InChI=1S/C19H15N5O/c1-25-18-11-3-2-9-16(18)14-7-6-8-15(13-14)24-22-19(21-23-24)17-10-4-5-12-20-17/h2-13H,1H3","""AuxInfo=1/0/N:1,23,24,18,17,7,6,8,22,19,25,16,21,5,9,4,14,3,13,15,12,20,11,10,2/rA:25COCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;s4;d22;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-UGYUKHCPVLGRRG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL254573,Cc1c(C2=CCC(C(=O)N(C)C(C)C)CC2)nnn1-c1c(F)nccc1,UGYUKHCPVLGRRG,UGYUKHCPVLGRRG-UHFFFAOYSA-N,"InChI=1S/C19H24FN5O/c1-12(2)24(4)19(26)15-9-7-14(8-10-15)17-13(3)25(23-22-17)16-6-5-11-21-18(16)20/h5-7,11-12,15H,8-10H2,1-4H3","""AuxInfo=1/0/N:13,14,1,11,25,26,5,16,6,15,24,12,2,4,7,20,3,21,8,22,23,17,18,10,19,9/E:(1,2)/rA:26CCCCCCCCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;w?4;s5;s6;s7;d8;s8;s10;s10;s12;s12;s7;s4s15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:17489573,2007.0,PMID:17489573,2007,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-UGZFYEMQFOUSJI_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,71451227;CHEMBL2152115,N#Cc1c(-c2ccc3c(c2)ccn3C2CCC(O)CC2)ccn2c(CC(F)(F)F)cnc12,UGZFYEMQFOUSJI,UGZFYEMQFOUSJI-UHFFFAOYSA-N,"InChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2","""AuxInfo=1/0/N:6,15,20,16,19,7,11,21,12,22,10,25,2,30,5,9,14,24,17,4,3,8,32,26,27,28,29,1,31,13,23,18/E:(2,3)(4,5)(25,26,27)/rA:32NCCCCCCCCCCCNCCCCOCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s9;d11;s8s12;s13;s14;s15;s16;s17;s17;s14s19;s4;d21;s22;s23;s24;s25;s26;s26;s26;d24;s30;s3s23d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:691032;CHEMBL2156244,PMID:22352782,2012.0,PubChemAID:691032;PMID:22352782,2013;2012,0,0;1,0,0,1;0,,=,  6.481;  6.480,6.481,0.0,0.0,2.0,6.481,0.0
-UHCAVFLNPSPQFM_on_P41594_WT,Low,ChEMBL30,CHEMBL2338583,O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1cccnc1,UHCAVFLNPSPQFM,UHCAVFLNPSPQFM-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O2/c21-16-6-1-4-14(10-16)19-23-13-20(26-19)8-2-7-17(11-20)24-18(25)15-5-3-9-22-12-15/h1,3-6,9-10,12,17H,2,7-8,11,13H2,(H,24,25)","""AuxInfo=1/1/N:17,6,23,18,22,16,5,7,24,13,20,26,9,12,21,14,4,2,11,8,15,25,10,3,1,19/rA:26OCNCCCCCCNCCCCClCCCOCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;w?10;s11;d12;s13;s14;d14;s16;s12d17;s8s11;s4s8;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UHDMAEPGMOIEHH_on_O15399_WT,Low,ChEMBL30,CHEMBL357426;CHEMBL145728,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.190;  6.160,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_O60391_WT,Low,ChEMBL30,CHEMBL145728;CHEMBL357426,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.160;  6.190,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL357426;CHEMBL145728,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.190;  6.160,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_Q05586_WT,Low,ChEMBL30,CHEMBL357426;CHEMBL145728,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.190;  6.160,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_Q12879_WT,Low,ChEMBL30,CHEMBL145728;CHEMBL357426,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.160;  6.190,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_Q13224_WT,Low,ChEMBL30,CHEMBL357426;CHEMBL145728,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.190;  6.160,6.175,0.015,0.015,2.0,6.175,0.015
-UHDMAEPGMOIEHH_on_Q14957_WT,Low,ChEMBL30,CHEMBL357426;CHEMBL145728,NC(Cc1n[nH]nn1)C(=O)O,UHDMAEPGMOIEHH,UHDMAEPGMOIEHH-UHFFFAOYSA-N,"InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)","""AuxInfo=1/1/N:3,2,4,9,1,5,8,6,7,10,11/E:(6,7)(8,9)(10,11)/rA:11NCCCNNNNCOO/rB:s1;s2;s3;d4;s5;s6;s4d7;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.190;  6.160,6.175,0.015,0.015,2.0,6.175,0.015
-UHEYIOPHTBWBQN_on_P14867_WT,Low,ChEMBL30,CHEMBL1093534,On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1,UHEYIOPHTBWBQN,UHEYIOPHTBWBQN-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:21,20,22,15,19,23,16,14,7,11,8,10,24,4,18,6,17,13,5,12,9,3,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONNCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4481484;CHEMBL1117063;CHEMBL1117063,PMID:20355712,2010.0,PMID:30763084;PMID:20355712;PMID:20355712,2019;2010;2010,1,0,0,0,0,,=,  7.620;  7.620;  7.620,7.62,0.0,0.0,3.0,7.62,0.0
-UHEYIOPHTBWBQN_on_P18507_WT,Low,ChEMBL30,CHEMBL1093534,On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1,UHEYIOPHTBWBQN,UHEYIOPHTBWBQN-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:21,20,22,15,19,23,16,14,7,11,8,10,24,4,18,6,17,13,5,12,9,3,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONNCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063;CHEMBL1117063;CHEMBL4481484,PMID:20355712,2010.0,PMID:20355712;PMID:20355712;PMID:30763084,2010;2010;2019,1,0,0,0,0,,=,  7.620;  7.620;  7.620,7.62,0.0,0.0,3.0,7.62,0.0
-UHEYIOPHTBWBQN_on_P47870_WT,Low,ChEMBL30,CHEMBL1093534,On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1,UHEYIOPHTBWBQN,UHEYIOPHTBWBQN-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:21,20,22,15,19,23,16,14,7,11,8,10,24,4,18,6,17,13,5,12,9,3,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONNCCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063;CHEMBL1117063;CHEMBL4481484,PMID:20355712,2010.0,PMID:20355712;PMID:20355712;PMID:30763084,2010;2010;2019,1,0,0,0,0,,=,  7.620;  7.620;  7.620,7.62,0.0,0.0,3.0,7.62,0.0
-UHJAHSBEQHHGBD_on_P14867_WT,Low,ChEMBL30,CHEMBL3289482,CC(C)N(C(=O)c1cc(-c2ccc3OCOc3c2)ccc1)C(C)C,UHJAHSBEQHHGBD,UHJAHSBEQHHGBD-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-13(2)21(14(3)4)20(22)17-7-5-6-15(10-17)16-8-9-18-19(11-16)24-12-23-18/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,23,24,20,19,21,11,12,8,18,15,2,22,9,10,7,13,17,5,4,6,14,16/E:(1,2,3,4)(13,14)/rA:24CCCNCOCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s13;s14;s15;s13s16;s10d17;d9;s19;s7d20;s4;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-UHJAHSBEQHHGBD_on_P18507_WT,Low,ChEMBL30,CHEMBL3289482,CC(C)N(C(=O)c1cc(-c2ccc3OCOc3c2)ccc1)C(C)C,UHJAHSBEQHHGBD,UHJAHSBEQHHGBD-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-13(2)21(14(3)4)20(22)17-7-5-6-15(10-17)16-8-9-18-19(11-16)24-12-23-18/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,23,24,20,19,21,11,12,8,18,15,2,22,9,10,7,13,17,5,4,6,14,16/E:(1,2,3,4)(13,14)/rA:24CCCNCOCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s13;s14;s15;s13s16;s10d17;d9;s19;s7d20;s4;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-UHJAHSBEQHHGBD_on_P47870_WT,Low,ChEMBL30,CHEMBL3289482,CC(C)N(C(=O)c1cc(-c2ccc3OCOc3c2)ccc1)C(C)C,UHJAHSBEQHHGBD,UHJAHSBEQHHGBD-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-13(2)21(14(3)4)20(22)17-7-5-6-15(10-17)16-8-9-18-19(11-16)24-12-23-18/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,23,24,20,19,21,11,12,8,18,15,2,22,9,10,7,13,17,5,4,6,14,16/E:(1,2,3,4)(13,14)/rA:24CCCNCOCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s13;s14;s15;s13s16;s10d17;d9;s19;s7d20;s4;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-UHMKDOILYUOVOR_on_P14867_WT,Low,ChEMBL30,CHEMBL359853,c1ccc(-c2nnc3c4c(c(OCc5cscc5)nn23)C2CCC4CC2)cc1,UHMKDOILYUOVOR,UHMKDOILYUOVOR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-4-17(5-3-1)20-23-24-21-18-15-6-8-16(9-7-15)19(18)22(25-26(20)21)27-12-14-10-11-28-13-14/h1-5,10-11,13,15-16H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,18,17,13,15,14,24,21,4,9,10,5,8,11,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-UHMKDOILYUOVOR_on_P31644_WT,Low,ChEMBL30,CHEMBL359853,c1ccc(-c2nnc3c4c(c(OCc5cscc5)nn23)C2CCC4CC2)cc1,UHMKDOILYUOVOR,UHMKDOILYUOVOR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-4-17(5-3-1)20-23-24-21-18-15-6-8-16(9-7-15)19(18)22(25-26(20)21)27-12-14-10-11-28-13-14/h1-5,10-11,13,15-16H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,18,17,13,15,14,24,21,4,9,10,5,8,11,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-UHMKDOILYUOVOR_on_P34903_WT,Low,ChEMBL30,CHEMBL359853,c1ccc(-c2nnc3c4c(c(OCc5cscc5)nn23)C2CCC4CC2)cc1,UHMKDOILYUOVOR,UHMKDOILYUOVOR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-4-17(5-3-1)20-23-24-21-18-15-6-8-16(9-7-15)19(18)22(25-26(20)21)27-12-14-10-11-28-13-14/h1-5,10-11,13,15-16H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,18,17,13,15,14,24,21,4,9,10,5,8,11,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-UHMKDOILYUOVOR_on_P47869_WT,Low,ChEMBL30,CHEMBL359853,c1ccc(-c2nnc3c4c(c(OCc5cscc5)nn23)C2CCC4CC2)cc1,UHMKDOILYUOVOR,UHMKDOILYUOVOR-UHFFFAOYSA-N,"InChI=1S/C22H20N4OS/c1-2-4-17(5-3-1)20-23-24-21-18-15-6-8-16(9-7-15)19(18)22(25-26(20)21)27-12-14-10-11-28-13-14/h1-5,10-11,13,15-16H,6-9,12H2","""AuxInfo=1/0/N:1,2,28,3,27,23,25,22,26,18,17,13,15,14,24,21,4,9,10,5,8,11,6,7,19,20,12,16/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCNNCCCCOCCCSCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-UHOGUADOCQXGIA_on_Q14833_WT,High,ChEMBL30,CHEMBL1223083,O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ccccn1,UHOGUADOCQXGIA,UHOGUADOCQXGIA-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O3S/c19-15-5-1-2-6-16(15)22-26(24,25)14-10-8-13(9-11-14)21-18(23)17-7-3-4-12-20-17/h1-12,22H,(H,21,23)","""AuxInfo=1/1/N:16,17,23,24,15,18,22,5,20,6,19,25,4,7,13,12,21,2,14,26,3,11,1,9,10,8/E:(8,9)(10,11)(24,25)/CRV:26.6/rA:26OCNCCCCSOONCCClCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s12d17;s7;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;CHEMBL3810871,PMID:20667732,2010.0,PMID:20667732;PMID:27234146,2010;2016,0,1,0,0,0,,=,  7.570;  6.790,7.18,0.39,0.39,2.0,7.18,0.39
-UHQRWNGTIRKPSP_on_Q14416_WT,High,ChEMBL30,CHEMBL3337521,N#Cc1c(N2CCC(c3c(F)cc(F)cc3)CC2)ccn(CC2CC2)c1=O,UHQRWNGTIRKPSP,UHQRWNGTIRKPSP-UHFFFAOYSA-N,"InChI=1S/C21H21F2N3O/c22-16-3-4-17(19(23)11-16)15-5-8-25(9-6-15)20-7-10-26(13-14-1-2-14)21(27)18(20)12-24/h3-4,7,10-11,14-15H,1-2,5-6,8-9,13H2","""AuxInfo=1/0/N:24,25,15,16,7,17,19,6,18,20,12,2,22,23,8,13,9,3,10,4,26,14,11,1,5,21,27/E:(1,2)(5,6)(8,9)/rA:27NCCCNCCCCCFCCFCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s5s17;s4;d19;s20;s21;s22;s23;s23s24;s3s21;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-UHSJOANGEBDQLX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580333;CHEMBL2346728,COc1ccc(-n2c(C)nc(C(=O)Nc3cccc(C)n3)c2C)cc1,UHSJOANGEBDQLX,UHSJOANGEBDQLX-UHFFFAOYSA-N,"InChI=1S/C19H20N4O2/c1-12-6-5-7-17(20-12)22-19(24)18-13(2)23(14(3)21-18)15-8-10-16(25-4)11-9-15/h5-11H,1-4H3,(H,20,22,24)","""AuxInfo=1/1/N:20,23,9,1,17,18,16,5,24,4,25,19,22,8,6,3,15,11,12,21,10,14,7,13,2/E:(8,9)(10,11)/rA:25COCCCCNCCNCCONCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;s10;s11;d12;s12;s14;d15;s16;d17;s18;s19;s15d19;s7d11;s22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  6.833;  6.830,6.832000000000001,0.002,0.002,2.0,6.832000000000001,0.002
-UHUFBNVEMLJTKS_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76328952;CHEMBL3122213,Cn1nc(-c2cnccc2C(F)(F)F)c2c1nc(OCc1ccccn1)cn2,UHUFBNVEMLJTKS,UHUFBNVEMLJTKS-UHFFFAOYSA-N,"InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,23,24,22,9,25,8,6,27,20,21,5,10,18,4,15,16,11,12,13,14,7,26,28,17,3,2,19/E:(19,20,21)/rA:28CNNCCCNCCCCFFFCCNCOCCCCCCNCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s10;s11;s11;s11;s4;s2d15;s16;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s18;s15d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1071426;CHEMBL3124717,PMID:24392688,2014.0,PubChemAID:1071426;PMID:24392688,2014,0,0,0,0;1,1;0,,=,  8.553;  8.550,8.552,0.002,0.002,2.0,8.552,0.002
-UHUIHZUAXXSBKE_on_O00591_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_O14764_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P14867_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P18505_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P18507_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P28472_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P31644_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P34903_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P47869_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P47870_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P48169_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_P78334_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_Q16445_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHUIHZUAXXSBKE_on_Q99928_WT,Low,ChEMBL30,CHEMBL294873,Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1,UHUIHZUAXXSBKE,UHUIHZUAXXSBKE-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c1-7-10(14(18)19)12(15)11-8-5-3-4-6-9(8)17(2)13(11)16-7/h3-6H,1-2H3,(H2,15,16)(H,18,19)","""AuxInfo=1/1/N:1,17,14,13,15,12,2,10,11,3,9,7,18,4,8,19,16,5,6/E:(18,19)/rA:19CCCCOOCNCCCCCCCNCCN/rB:s1;d2;s3;d4;s4;s3;s7;d7;s9;d10;s11;d12;s13;s10d14;s11;s16;s9s16;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UHZPZHBQBGJIMR_on_P41594_WT,High,ChEMBL30,CHEMBL2153790,Cc1nc(NC(=O)c2nccc3c2[nH]cc3-c2ccccn2)ccc1,UHZPZHBQBGJIMR,UHZPZHBQBGJIMR-UHFFFAOYSA-N,"InChI=1S/C19H15N5O/c1-12-5-4-7-16(23-12)24-19(25)18-17-13(8-10-21-18)14(11-22-17)15-6-2-3-9-20-15/h2-11,22H,1H3,(H,23,24,25)","""AuxInfo=1/1/N:1,19,20,24,25,18,23,11,21,10,15,2,12,16,17,4,13,8,6,22,9,14,3,5,7/rA:25CCNCNCOCNCCCCNCCCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;s14;s12d15;s16;d17;s18;d19;s20;s17d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-UIEAPAOHCIQRQL_on_P14867_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-UIEAPAOHCIQRQL_on_P18507_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL680669;CHEMBL677034;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.420;  8.050;  6.830;  7.470,7.442,0.43200000000000005,0.249,4.0,7.445,0.315
-UIEAPAOHCIQRQL_on_P28472_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL680432;CHEMBL677034;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.050;  7.470;  6.830;  7.420,7.442,0.43200000000000005,0.249,4.0,7.445,0.315
-UIEAPAOHCIQRQL_on_P31644_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-UIEAPAOHCIQRQL_on_P34903_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-UIEAPAOHCIQRQL_on_P47869_WT,Low,ChEMBL30,CHEMBL334138,Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1,UIEAPAOHCIQRQL,UIEAPAOHCIQRQL-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,17,4,3,5,26,25,18,28,7,2,16,27,24,6,13,22,23,12,21,9,29,19,20,10,14,11,8,15/rA:29CCCCCCCOCNNCCNOCCCNNCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s13d16;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s24s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-UIESIDBIPPSKRK_on_P31644_WT,High,ChEMBL30,CHEMBL3681580,COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1,UIESIDBIPPSKRK,UIESIDBIPPSKRK-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O4/c1-10-13(16(21-25-10)14-5-4-12(18)8-19-14)9-24-15-6-3-11(7-20-15)17(22)23-2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:13,1,6,19,18,7,25,22,10,12,5,20,11,17,8,16,3,21,23,24,15,4,2,9,14/rA:25COCOCCCCOCCCCONCCCCCClCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s20;s17d22;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-UIKALQCPWORKLG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3936023,CC1(C)CCN(c2cnc(C#Cc3cccc(F)c3)cn2)C(=O)C1,UIKALQCPWORKLG,UIKALQCPWORKLG-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)8-9-23(18(24)11-19)17-13-21-16(12-22-17)7-6-14-4-3-5-15(20)10-14/h3-5,10,12-13H,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,12,11,4,5,19,24,20,8,13,17,10,7,22,2,18,9,21,6,23/E:(1,2)/rA:24CCCCCNCCNCCCCCCCCFCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-UIKBGXQYPASMTB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53317121;CHEMBL1682823;CHEMBL1682823,O=C1CCOc2c1ccc(C#CC1CCCCC1)n2,UIKBGXQYPASMTB,UIKBGXQYPASMTB-UHFFFAOYSA-N,"InChI=1S/C16H17NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h8-9,12H,1-5,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,12,11,9,8,3,4,13,10,7,2,6,19,1,5/E:(2,3)(4,5)/rA:19OCCCOCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;s13;s14;s15;s16;s13s17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858;CHEMBL1685174;CHEMBL1685174,PMID:21295468,2011.0,PubChemAID:579858;PMID:21295468;PMID:21295468,2011,0,0;1;1,0,0,1;0;0,,=,  6.690;  6.680;  6.690,6.687,0.005,0.003,3.0,6.69,0.0
-UIKKAIWVKIQNBO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115497,COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1Cl,UIKKAIWVKIQNBO,UIKKAIWVKIQNBO-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-13-9-17(10-14(2)24-13)21-19-7-8-28-15(3)12-26(19)22(25-21)16-5-6-20(27-4)18(23)11-16/h5-6,9-11,15H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:13,16,23,1,5,4,19,20,11,17,26,24,12,15,22,6,10,27,18,3,9,7,28,14,8,25,2,21/E:(1,2)(9,10)(13,14)/rA:28COCCCCCNCCCCCNCCCCCCOCCCNCCCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s22;s7s18s24;s6;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UIKTZQCQKHUZHT_on_P18507_WT,Low,ChEMBL30,CHEMBL566188,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C)c3)-n2cn1,UIKTZQCQKHUZHT,UIKTZQCQKHUZHT-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,11,22,18,14,15,7,6,13,4,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UIKTZQCQKHUZHT_on_P28472_WT,Low,ChEMBL30,CHEMBL566188,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C)c3)-n2cn1,UIKTZQCQKHUZHT,UIKTZQCQKHUZHT-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,11,22,18,14,15,7,6,13,4,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UIKTZQCQKHUZHT_on_P31644_WT,Low,ChEMBL30,CHEMBL566188,CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C)c3)-n2cn1,UIKTZQCQKHUZHT,UIKTZQCQKHUZHT-UHFFFAOYSA-N,"InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,19,2,17,16,20,8,11,22,18,14,15,7,6,13,4,12,23,10,21,9,5,3/rA:23CCOCOCCCNNCNCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UIOINPHYMCOKNA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL181610;44389261,Nc1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1,UIOINPHYMCOKNA,UIOINPHYMCOKNA-UHFFFAOYSA-N,"InChI=1S/C10H9ClN6O/c11-7-9(13)17-8(12)6(16-7)10(18)15-5-3-1-2-4-14-5/h1-4H,(H4,12,13,17)(H,14,15,18)","""AuxInfo=1/1/N:14,13,15,12,10,6,3,16,2,7,4,17,1,11,9,5,18,8/rA:18NCCClNCCONCNCCCCCNN/rB:s1;d2;s3;s3;d5;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s6;s16;s2d16;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  5.420;  5.420,5.42,0.0,0.0,2.0,5.42,0.0
-UIPGLQFPZVUUQW_on_O00591_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_O14764_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P14867_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P18505_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P18507_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P28472_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P31644_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P34903_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P47869_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P47870_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P48169_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_P78334_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_Q16445_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIPGLQFPZVUUQW_on_Q99928_WT,Low,ChEMBL30,CHEMBL54878,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2,UIPGLQFPZVUUQW,UIPGLQFPZVUUQW-UHFFFAOYSA-N,InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-UIRHDTFCRZTYRF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3916790,O=C1CC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1,UIRHDTFCRZTYRF,UIRHDTFCRZTYRF-UHFFFAOYSA-N,"InChI=1S/C21H20N2O/c24-20-14-21(12-4-5-13-21)16-23(20)19-11-10-18(15-22-19)9-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,15H,4-5,12-14,16H2","""AuxInfo=1/0/N:20,19,21,6,7,18,22,16,15,13,12,5,8,3,23,9,17,14,11,2,4,24,10,1/E:(2,3)(4,5)(6,7)(12,13)/rA:24OCCCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s4s7;s4;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-UIRLZQOOEREZMZ_on_P18507_WT,Low,ChEMBL30,CHEMBL569040,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(cccc3)-n2cn1,UIRLZQOOEREZMZ,UIRLZQOOEREZMZ-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-4-26-20(25)18-16-9-13-10-21-19(12(2)3)23-17(13)14-7-5-6-8-15(14)24(16)11-22-18/h5-8,10-12H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,22,21,23,20,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(2,3)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-UIRLZQOOEREZMZ_on_P28472_WT,Low,ChEMBL30,CHEMBL569040,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(cccc3)-n2cn1,UIRLZQOOEREZMZ,UIRLZQOOEREZMZ-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-4-26-20(25)18-16-9-13-10-21-19(12(2)3)23-17(13)14-7-5-6-8-15(14)24(16)11-22-18/h5-8,10-12H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,22,21,23,20,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(2,3)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-UIRLZQOOEREZMZ_on_P31644_WT,Low,ChEMBL30,CHEMBL569040,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(cccc3)-n2cn1,UIRLZQOOEREZMZ,UIRLZQOOEREZMZ-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c1-4-26-20(25)18-16-9-13-10-21-19(12(2)3)23-17(13)14-7-5-6-8-15(14)24(16)11-22-18/h5-8,10-12H,4,9H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,22,21,23,20,8,17,25,13,9,18,19,7,10,6,12,4,16,26,11,24,5,3/E:(2,3)/rA:26CCOCOCCCCCNCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-UIRMNVOEQMAKFM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1270719,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CCCCC1,UIRMNVOEQMAKFM,UIRMNVOEQMAKFM-UHFFFAOYSA-N,"InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)","""AuxInfo=1/1/N:22,31,21,23,30,32,7,8,3,12,20,24,29,33,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)/rA:33NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-UIRMNVOEQMAKFM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1270719,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CCCCC1,UIRMNVOEQMAKFM,UIRMNVOEQMAKFM-UHFFFAOYSA-N,"InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)","""AuxInfo=1/1/N:22,31,21,23,30,32,7,8,3,12,20,24,29,33,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)/rA:33NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-UIRMNVOEQMAKFM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1270719,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CCCCC1,UIRMNVOEQMAKFM,UIRMNVOEQMAKFM-UHFFFAOYSA-N,"InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)","""AuxInfo=1/1/N:22,31,21,23,30,32,7,8,3,12,20,24,29,33,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)/rA:33NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-UIRWBZFLHDMTCS_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3927279,Cc1c(S(=O)(=O)Cc2cc(F)c(F)cc2F)sc(NC(=O)c2ccccn2)n1,UIRWBZFLHDMTCS,UIRWBZFLHDMTCS-UHFFFAOYSA-N,"InChI=1S/C17H12F3N3O3S2/c1-9-16(27-17(22-9)23-15(24)14-4-2-3-5-21-14)28(25,26)8-10-6-12(19)13(20)7-11(10)18/h2-7H,8H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,24,25,23,26,9,14,7,2,8,15,10,12,22,20,3,18,16,11,13,27,28,19,21,5,6,17,4/E:(25,26)/CRV:28.6/rA:28CCCSOOCCCCFCFCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;s10;d10;s12;s12;s8d14;s15;s3;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-UISOVRMNRPVABO_on_P41594_WT,High,ChEMBL30,CHEMBL208781,Clc1cc(Sc2ccnc(-c3ccccn3)n2)ccc1,UISOVRMNRPVABO,UISOVRMNRPVABO-UHFFFAOYSA-N,InChI=1S/C15H10ClN3S/c16-11-4-3-5-12(10-11)20-14-7-9-18-15(19-14)13-6-1-2-8-17-13/h1-10H,"""AuxInfo=1/0/N:13,14,19,20,18,12,7,15,8,3,2,4,11,6,10,1,16,9,17,5/rA:20ClCCCSCCCNCCCCCCNNCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s6d10;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-UIUNHCNUHMKBER_on_P41594_WT,Medium,ChEMBL30,CHEMBL365236,Cc1cccc(C)c1-c1cccc(-n2nnc(-c3ncccc3)n2)c1,UIUNHCNUHMKBER,UIUNHCNUHMKBER-UHFFFAOYSA-N,"InChI=1S/C20H17N5/c1-14-7-5-8-15(2)19(14)16-9-6-10-17(13-16)25-23-20(22-24-25)18-11-3-4-12-21-18/h3-13H,1-2H3","""AuxInfo=1/0/N:1,7,22,21,4,11,3,5,10,12,23,20,25,2,6,9,13,18,8,17,19,16,24,15,14/E:(1,2)(7,8)(14,15)/rA:25CCCCCCCCCCCCCNNNCCNCCCCNC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s10;d11;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s14d17;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-UIVLQAWXTZCEKE_on_Q13255_WT,Low,ChEMBL30,CHEMBL3634448,Cc1c(C(=O)Nc2c(C(F)(F)F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,UIVLQAWXTZCEKE,UIVLQAWXTZCEKE-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-16-7-6-12(10-15(16)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,21,22,20,23,26,27,30,29,13,2,14,19,18,8,7,3,4,24,16,9,10,11,12,6,15,5,25,17,28/E:(2,3)(4,5)(13,14)(19,20)(22,23,24)(28,29)/rA:30CCCCONCCCFFFCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;s9;s9;s8;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s15s19;d24;s14;s7d26;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-UIVLQAWXTZCEKE_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634448,Cc1c(C(=O)Nc2c(C(F)(F)F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,UIVLQAWXTZCEKE,UIVLQAWXTZCEKE-UHFFFAOYSA-N,"InChI=1S/C21H13F3N2O4/c1-11-8-9-30-17(11)18(27)25-16-7-6-12(10-15(16)21(22,23)24)26-19(28)13-4-2-3-5-14(13)20(26)29/h2-10H,1H3,(H,25,27)","""AuxInfo=1/1/N:1,21,22,20,23,26,27,30,29,13,2,14,19,18,8,7,3,4,24,16,9,10,11,12,6,15,5,25,17,28/E:(2,3)(4,5)(13,14)(19,20)(22,23,24)(28,29)/rA:30CCCCONCCCFFFCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;s9;s9;s8;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s15s19;d24;s14;s7d26;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UIWGHRBZCGLTEA_on_P31644_WT,High,ChEMBL30,CHEMBL3681436,O=C(NCCO)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,UIWGHRBZCGLTEA,UIWGHRBZCGLTEA-UHFFFAOYSA-N,"InChI=1S/C19H16F3N3O4/c20-19(21,22)17-14(16(25-29-17)12-4-2-1-3-5-12)11-28-15-7-6-13(10-24-15)18(27)23-8-9-26/h1-7,10,26H,8-9,11H2,(H,23,27)","""AuxInfo=1/1/N:25,24,26,23,27,8,9,4,5,29,12,22,7,13,10,21,14,2,15,16,17,18,3,28,20,6,1,11,19/E:(2,3)(4,5)(20,21,22)/rA:29OCNCCOCCCCOCCCCFFFONCCCCCCCNC/rB:d1;s2;s3;s4;s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s22d26;s10;s7d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-UJAVKJSDILLJIC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3893630,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1,UJAVKJSDILLJIC,UJAVKJSDILLJIC-UHFFFAOYSA-N,"InChI=1S/C21H20F3N3O2/c1-13-11-16(3-4-18(13)29-21(22,23)24)20-26-19(15-5-7-25-14(2)12-15)17-6-9-28-10-8-27(17)20/h3-5,7,11-12H,6,8-10H2,1-2H3","""AuxInfo=1/0/N:24,1,15,16,27,7,28,11,8,10,25,3,23,2,4,14,6,17,5,13,19,20,21,22,29,26,12,9,18/E:(22,23,24)/rA:29CCCCCCCCOCCNCCCCCOCFFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s19;s17;s23;s14d23;s5d13;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UJBKNFOPANURFJ_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11710164;CHEMBL185046,Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccncc1,UJBKNFOPANURFJ,UJBKNFOPANURFJ-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-15(2)14-19(23)18-6-7-20(16(3)21(18)24)26-13-5-4-12-25-17-8-10-22-11-9-17/h6-11,15,24H,4-5,12-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,18,17,12,13,22,26,23,25,19,16,8,9,2,21,5,6,14,3,24,7,4,20,15/E:(1,2)(8,9)(10,11)/rA:26CCCOCCOCCCCCCCOCCCCOCCCNCC/rB:s1;d2;s3;s3;s5;d6;s6;s8;s9;s9;d5;s12;s2d13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240156;CHEMBL829721,PMID:15501058,2004.0,PubChemAID:240156;PMID:15501058,2010;2004,0,0;1,0,0,1;0,,=,  5.414;  5.410,5.412000000000001,0.002,0.002,2.0,5.412000000000001,0.002
-UJBOQYCZTOTBAN_on_P18507_WT,Low,ChEMBL30,CHEMBL206479,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)cccc1,UJBOQYCZTOTBAN,UJBOQYCZTOTBAN-UHFFFAOYSA-N,InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H,"""AuxInfo=1/0/N:25,26,16,24,27,17,8,9,15,20,5,21,7,6,3,12,2,10,18,4,13,1,11,19,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL865019;CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.050;  9.300,9.175,0.125,0.125,2.0,9.175,0.125
-UJBOQYCZTOTBAN_on_P28472_WT,Low,ChEMBL30,CHEMBL206479,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)cccc1,UJBOQYCZTOTBAN,UJBOQYCZTOTBAN-UHFFFAOYSA-N,InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H,"""AuxInfo=1/0/N:25,26,16,24,27,17,8,9,15,20,5,21,7,6,3,12,2,10,18,4,13,1,11,19,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL865020;CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300;  9.050,9.175,0.125,0.125,2.0,9.175,0.125
-UJBOQYCZTOTBAN_on_P31644_WT,Low,ChEMBL30,CHEMBL206479,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)cccc1,UJBOQYCZTOTBAN,UJBOQYCZTOTBAN-UHFFFAOYSA-N,InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H,"""AuxInfo=1/0/N:25,26,16,24,27,17,8,9,15,20,5,21,7,6,3,12,2,10,18,4,13,1,11,19,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL865020,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UJBOQYCZTOTBAN_on_P34903_WT,Low,ChEMBL30,CHEMBL206479,Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)cccc1,UJBOQYCZTOTBAN,UJBOQYCZTOTBAN-UHFFFAOYSA-N,InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H,"""AuxInfo=1/0/N:25,26,16,24,27,17,8,9,15,20,5,21,7,6,3,12,2,10,18,4,13,1,11,19,14,22,23/rA:27FCCCCCCCCCFCCNCCCCFCCNNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s18;s7d12;d6;s21;s4d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL865019,PMID:16610803,2006.0,PMID:16610803,2006,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-UJEXESQYZPLJHO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114602;CHEMBL3893351,CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1,UJEXESQYZPLJHO,UJEXESQYZPLJHO-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O/c1-14-12-27(9-8-25-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)28)26-20(18)10-15/h2-7,10-11,14,25H,8-9,12-13H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,7,12,17,13,16,8,27,26,25,18,3,5,2,6,11,14,9,10,24,19,20,15,21,28,23,4,22/E:(3,4)(5,6)/rA:28CCCNCCCCCCCCCCFCCCCCNONCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;d10;s18;s19;s20;d20;d19;s9s23;s6d24;s4;s26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.940;  6.920,6.93,0.01,0.01,2.0,6.93,0.01
-UJGHRDRHQVZDMD_on_P41594_WT,High,ChEMBL30,CHEMBL3747717,O=C1c2cc(COc3ccccc3)nn2CCN1c1ccncc1,UJGHRDRHQVZDMD,UJGHRDRHQVZDMD-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c23-18-17-12-14(13-24-16-4-2-1-3-5-16)20-22(17)11-10-21(18)15-6-8-19-9-7-15/h1-9,12H,10-11,13H2","""AuxInfo=1/0/N:11,10,12,9,13,20,24,21,23,17,16,4,6,5,19,8,3,2,22,14,18,15,1,7/E:(2,3)(4,5)(6,7)(8,9)/rA:24OCCCCCOCCCCCCNNCCNCCCNCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.680;  5.680,5.68,0.0,0.0,2.0,5.68,0.0
-UJKKFDSFUWHUFH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115388,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)cc(C)n1,UJKKFDSFUWHUFH,UJKKFDSFUWHUFH-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O/c1-12-8-16(9-13(2)27-12)20-19-6-7-30-14(3)11-29(19)21(28-20)15-4-5-17(18(23)10-15)22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,18,23,6,5,14,19,24,20,21,22,30,26,13,9/E:(1,2)(8,9)(12,13)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCCFFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-UJLTZVKIWIVYFJ_on_P41594_WT,Low,ChEMBL30,CHEMBL1784065,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O,UJLTZVKIWIVYFJ,UJLTZVKIWIVYFJ-UHFFFAOYSA-N,"InChI=1S/C20H15N5OS2/c1-11(2)8-21-18-15-16-17(28-19(15)23-9-22-18)20(26)25(10-24-16)13-3-4-14-12(7-13)5-6-27-14/h3-7,9-10H,1,8H2,2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,19,20,24,23,26,4,10,16,2,25,18,21,7,14,13,6,8,27,5,11,9,15,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCSCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-UJLTZVKIWIVYFJ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54584890;CHEMBL1784065,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O,UJLTZVKIWIVYFJ,UJLTZVKIWIVYFJ-UHFFFAOYSA-N,"InChI=1S/C20H15N5OS2/c1-11(2)8-21-18-15-16-17(28-19(15)23-9-22-18)20(26)25(10-24-16)13-3-4-14-12(7-13)5-6-27-14/h3-7,9-10H,1,8H2,2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,3,19,20,24,23,26,4,10,16,2,25,18,21,7,14,13,6,8,27,5,11,9,15,17,28,22,12/rA:28CCCCNCCCNCNSCCNCNCCCCSCCCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;d23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.051;  8.050,8.05,0.0,0.0,2.0,8.05,0.0
-UJMXYQQZHKHKJK_on_P18505_WT,Low,ChEMBL30,CHEMBL4250786,CCc1ccc(C(O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1,UJMXYQQZHKHKJK,UJMXYQQZHKHKJK-UHFFFAOYSA-N,"InChI=1S/C21H26F2O2/c1-2-13-3-5-17(6-4-13)18(24)21(22,23)19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16,18,24H,2,7-12H2,1H3","""AuxInfo=1/0/N:1,2,4,25,5,24,17,19,21,23,15,22,3,18,16,20,6,7,12,14,9,10,11,8,13/E:(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)(22,23)/rA:25CCCCCCCOCFFCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s9;s9;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UJMXYQQZHKHKJK_on_P47870_WT,Low,ChEMBL30,CHEMBL4250786,CCc1ccc(C(O)C(F)(F)C(=O)C23CC4CC(CC(C4)C2)C3)cc1,UJMXYQQZHKHKJK,UJMXYQQZHKHKJK-UHFFFAOYSA-N,"InChI=1S/C21H26F2O2/c1-2-13-3-5-17(6-4-13)18(24)21(22,23)19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16,18,24H,2,7-12H2,1H3","""AuxInfo=1/0/N:1,2,4,25,5,24,17,19,21,23,15,22,3,18,16,20,6,7,12,14,9,10,11,8,13/E:(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)(22,23)/rA:25CCCCCCCOCFFCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s7;s9;s9;s9;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UJOOGJJUIWXZJP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114150,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)cc(C)n1,UJOOGJJUIWXZJP,UJOOGJJUIWXZJP-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c1-12-8-16(9-13(2)27-12)20-18-6-7-30-14(3)11-29(18)21(28-20)15-4-5-19(17(23)10-15)31-22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,12,2,29,10,15,4,24,6,18,5,14,20,25,21,22,23,31,27,13,9,19/E:(1,2)(8,9)(12,13)(24,25,26)/rA:31CCCCCCCCOCCCNCCCCCOCFFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s15d24;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-UJPMBFOKDTUWGG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109709,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1Cl,UJPMBFOKDTUWGG,UJPMBFOKDTUWGG-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O2/c1-13-8-16(9-17(11-24)25-13)21-19-6-7-29-14(2)12-27(19)22(26-21)15-4-5-18(23)20(10-15)28-3/h4-5,8-10,14H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,23,1,26,27,19,20,10,17,4,15,24,11,22,5,9,14,28,18,3,8,6,29,16,13,7,25,2,21/rA:29COCCCCNCCCCCNCCFCCCCOCCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s22;s6s18s24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-UJUZRMBAWBBJKR_on_Q13255_WT,High,ChEMBL30,CHEMBL3422873,CC(C)c1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)c1,UJUZRMBAWBBJKR,UJUZRMBAWBBJKR-UHFFFAOYSA-N,"InChI=1S/C22H23N5OS/c1-14(2)18-10-19(26-25-18)22(28)27-9-8-16-17(11-23)21(29-20(16)13-27)24-12-15-6-4-3-5-7-15/h3-7,10,14,24H,8-9,12-13H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,3,23,22,24,21,25,12,11,29,27,19,15,2,20,13,26,4,7,14,17,8,28,18,5,6,10,9,16/E:(1,2)(4,5)(6,7)/rA:29CCCCNNCCONCCCCCSCNCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s10s14;s14;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;s26;t27;s4d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  4.370,4.37,0.0,0.0,1.0,4.37,0.0
-UJXARZKVVMYUID_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,23725862;CHEMBL594767;CHEMBL594767,CCCCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1,UJXARZKVVMYUID,UJXARZKVVMYUID-UHFFFAOYSA-N,"InChI=1S/C21H27ClN4O/c1-3-4-7-18-8-5-6-11-26(18)21(27)16-12-19(22)20(24-13-16)25-17-10-9-15(2)23-14-17/h9-10,12-14,18H,3-8,11H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,23,2,3,7,8,4,6,24,25,9,14,27,20,22,13,19,5,15,17,11,16,21,26,18,10,12/rA:27CCCCCCCCCNCOCCCClCNCCNCCCCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s10;d11;s11;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:451780;CHEMBL1065282;CHEMBL1065281,PMID:19931453,2010.0,PubChemAID:451780;PMID:19931453;PMID:19931453,2010,0;1;1,0,0,0,1;0;0,,=,  8.301;  8.300;  6.870,7.824,0.674,0.47700000000000004,3.0,8.3,0.001
-UJZIFJHTLHNZBN_on_Q05586_WT,Low,ChEMBL30,CHEMBL348727,N=C(C=Cc1ccc(F)cc1)NCc1ccccc1,UJZIFJHTLHNZBN,UJZIFJHTLHNZBN-UHFFFAOYSA-N,"InChI=1S/C16H15FN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,11,4,7,10,3,13,5,14,8,2,9,1,12/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCFCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-UJZIFJHTLHNZBN_on_Q13224_WT,Low,ChEMBL30,CHEMBL348727,N=C(C=Cc1ccc(F)cc1)NCc1ccccc1,UJZIFJHTLHNZBN,UJZIFJHTLHNZBN-UHFFFAOYSA-N,"InChI=1S/C16H15FN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,15,19,6,11,4,7,10,3,13,5,14,8,2,9,1,12/E:(2,3)(4,5)(6,7)(9,10)/rA:19NCCCCCCCFCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-UKAJWUIHQGXPJH_on_Q14416_WT,High,ChEMBL30,CHEMBL185490,Cc1c(OCCCCOc2cnccc2)ccc(C(=O)CC(C)C)c1O,UKAJWUIHQGXPJH,UKAJWUIHQGXPJH-UHFFFAOYSA-N,"InChI=1S/C21H27NO4/c1-15(2)13-19(23)18-8-9-20(16(3)21(18)24)26-12-5-4-11-25-17-7-6-10-22-14-17/h6-10,14-15,24H,4-5,11-13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,7,6,14,15,17,16,13,8,5,21,11,22,2,10,18,19,3,25,12,20,26,9,4/E:(1,2)/rA:26CCCOCCCCOCCNCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s3;d16;s17;s18;d19;s19;s21;s22;s22;s2d18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-UKBDRNRXKCKGJM_on_P41594_WT,High,ChEMBL30,CHEMBL255958,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(F)cc2)n1,UKBDRNRXKCKGJM,UKBDRNRXKCKGJM-UHFFFAOYSA-N,"InChI=1S/C17H10F4N2/c1-11-9-23-10-13(17(19,20)21)8-16(23)15(22-11)7-4-12-2-5-14(18)6-3-12/h2-3,5-6,8-10H,1H3","""AuxInfo=1/0/N:1,17,22,15,18,21,14,11,3,5,2,16,6,19,13,12,7,20,8,9,10,23,4/E:(2,3)(5,6)(19,20,21)/rA:23CCCNCCCFFFCCCCCCCCCFCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s19;s16d21;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-UKHFPVCOXBJPIN_on_O00591_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_O14764_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P14867_WT,Medium,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-UKHFPVCOXBJPIN_on_P18505_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P18507_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P28472_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P31644_WT,Medium,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-UKHFPVCOXBJPIN_on_P34903_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P47869_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P47870_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P48169_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_P78334_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_Q16445_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKHFPVCOXBJPIN_on_Q99928_WT,Low,ChEMBL30,CHEMBL453066,COC(=O)c1cc2c(cn1)[nH]c1c2cccc1,UKHFPVCOXBJPIN,UKHFPVCOXBJPIN-UHFFFAOYSA-N,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3","""AuxInfo=1/0/N:1,15,16,14,17,6,9,13,7,12,5,8,3,10,11,4,2/rA:17COCOCCCCCNNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5d9;s8;s11;s7d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UKIQVCFHWAXEOH_on_P41594_WT,Low,ChEMBL30,CHEMBL396918,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1,UKIQVCFHWAXEOH,UKIQVCFHWAXEOH-UHFFFAOYSA-N,"InChI=1S/C22H15ClN2O3/c23-16-10-11-19(24-20(26)14-6-2-1-3-7-14)15(12-16)13-25-21(27)17-8-4-5-9-18(17)22(25)28/h1-12H,13H2,(H,24,26)","""AuxInfo=1/1/N:26,25,27,18,19,24,28,17,20,6,5,9,11,23,10,7,16,15,4,2,21,13,8,3,12,1,22,14/E:(2,3)(4,5)(6,7)(8,9)(17,18)(21,22)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UKNUBBFPEZZLLU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114609,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1C(F)F,UKNUBBFPEZZLLU,UKNUBBFPEZZLLU-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-12-8-15(9-17(28-12)22(26)27)20-18-6-7-32-13(2)11-30(18)23(29-20)14-4-5-16(21(24)25)19(10-14)31-3/h4-5,8-10,13,21-22H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:12,24,1,27,28,20,21,10,18,4,25,11,23,5,9,29,14,19,3,8,30,15,6,31,32,16,17,13,7,26,2,22/E:(24,25)(26,27)/rA:32COCCCCNCCCCCNCCFFCCCCOCCCNCCCCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s23;s6s19s25;d5;s27;s3d28;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-UKPPGFGGYZRPPL_on_Q13255_WT,High,ChEMBL30,CHEMBL1951885,CCNc1c2c(ncn1)sc1c2ccn(-c2ccc(OC)cc2)c1=O,UKPPGFGGYZRPPL,UKPPGFGGYZRPPL-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2S/c1-3-19-16-14-13-8-9-22(11-4-6-12(24-2)7-5-11)18(23)15(13)25-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,21,2,17,23,18,22,13,14,8,16,19,12,5,11,4,6,24,3,9,7,15,25,20,10/E:(4,5)(6,7)/rA:25CCNCCCNCNSCCCCNCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s19;s16d22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-UKROXZGERLZVFO_on_P41594_WT,High,ChEMBL30,CHEMBL1257395,N#Cc1cc(N2CCn3cc(-c4ccccn4)nc3C2)cc(F)c1,UKROXZGERLZVFO,UKROXZGERLZVFO-UHFFFAOYSA-N,"InChI=1S/C18H14FN5/c19-14-7-13(10-20)8-15(9-14)23-5-6-24-11-17(22-18(24)12-23)16-3-1-2-4-21-16/h1-4,7-9,11H,5-6,12H2","""AuxInfo=1/0/N:14,15,13,16,7,8,24,4,21,2,10,20,3,22,5,12,11,19,23,1,17,18,6,9/rA:24NCCCCNCCNCCCCCCCNNCCCCFC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;s6s19;d5;s21;s22;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400,PMID:20809633,2010.0,PMID:20809633,2010,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-UKTKKTVGDZERNW_on_Q13255_WT,Low,ChEMBL30,CHEMBL443753,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1,UKTKKTVGDZERNW,UKTKKTVGDZERNW-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O/c1-12-21-17-16(11-20-23(17)14-7-3-2-4-8-14)18(24)22(12)15-9-5-6-13(19)10-15/h2-11H,1H3","""AuxInfo=1/0/N:1,12,11,13,20,21,10,14,19,24,6,2,22,9,18,5,4,15,23,7,3,17,8,16/E:(3,4)(7,8)/rA:24CCNCCCNNCCCCCCCONCCCCCClC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UKXDLKBYAPSHDL_on_P14867_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-UKXDLKBYAPSHDL_on_P18507_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682709;CHEMBL680432;CHEMBL677034;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.470;  7.680;  6.770;  8.460,7.595,0.602,0.348,4.0,7.575,0.455
-UKXDLKBYAPSHDL_on_P28472_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.460;  6.770;  7.470;  7.680,7.595,0.602,0.348,4.0,7.575,0.455
-UKXDLKBYAPSHDL_on_P31644_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-UKXDLKBYAPSHDL_on_P34903_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-UKXDLKBYAPSHDL_on_P47869_WT,Low,ChEMBL30,CHEMBL332893,CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1,UKXDLKBYAPSHDL,UKXDLKBYAPSHDL-UHFFFAOYSA-N,"InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3","""AuxInfo=1/0/N:1,19,2,21,20,22,27,29,26,30,15,18,28,25,16,3,11,12,10,7,13,6,17,31,9,8,23,4,24,14,5/E:(7,8)(9,10)/rA:31CCCNOCCNNCCCCOCCNCCCCCNNCCCCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;d13;s7s10s23;s12;s25;s26;s11s27;s28;s25s29;s3d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-UKYDOJGJKMRCNF_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205367,COc1ccc(-n2cnc3c(sc4c3c(Nc3cccnc3)ncn4)c2=O)cc1,UKYDOJGJKMRCNF,UKYDOJGJKMRCNF-UHFFFAOYSA-N,"InChI=1S/C20H14N6O2S/c1-28-14-6-4-13(5-7-14)26-11-24-16-15-18(25-12-3-2-8-21-9-12)22-10-23-19(15)29-17(16)20(26)27/h2-11H,1H3,(H,22,23,25)","""AuxInfo=1/1/N:1,19,18,5,28,4,29,20,22,24,8,17,6,3,14,10,11,15,13,26,21,23,25,9,16,7,27,2,12/E:(4,5)(6,7)/rA:29COCCCCNCNCCSCCCNCCCCNCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s17d21;d15;s23;s13d24;s7s11;d26;s6;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UKYYPMIATFNGSH_on_P41594_WT,High,ChEMBL30,CHEMBL235977,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1,UKYYPMIATFNGSH,UKYYPMIATFNGSH-UHFFFAOYSA-N,"InChI=1S/C19H16N4O2S/c1-10-3-5-12(6-4-10)23-9-22-16-14-15-13(25-11(2)7-20-15)8-21-18(14)26-17(16)19(23)24/h3-6,8-9,11,20H,7H2,1-2H3","""AuxInfo=1/0/N:1,20,3,26,4,25,21,16,7,2,19,5,15,13,14,9,10,12,23,22,17,8,6,24,18,11/E:(3,4)(5,6)/rA:26CCCCCNCNCCSCCCCCNOCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s19;s14s21;s6s10;d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL899860,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-UKYYPMIATFNGSH_on_Q13255_WT,High,ChEMBL30,CHEMBL235977,Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1,UKYYPMIATFNGSH,UKYYPMIATFNGSH-UHFFFAOYSA-N,"InChI=1S/C19H16N4O2S/c1-10-3-5-12(6-4-10)23-9-22-16-14-15-13(25-11(2)7-20-15)8-21-18(14)26-17(16)19(23)24/h3-6,8-9,11,20H,7H2,1-2H3","""AuxInfo=1/0/N:1,20,3,26,4,25,21,16,7,2,19,5,15,13,14,9,10,12,23,22,17,8,6,24,18,11/E:(3,4)(5,6)/rA:26CCCCCNCNCCSCCCCCNOCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;d14;s15;s12d16;s15;s18;s19;s19;s14s21;s6s10;d23;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL899859,PMID:17929793,2007.0,PMID:17929793,2007,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-ULBZCHWIVHJEHY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901986,N#Cc1ccc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)cc1F,ULBZCHWIVHJEHY,ULBZCHWIVHJEHY-UHFFFAOYSA-N,"InChI=1S/C21H16F2N4O2/c22-16-2-1-3-19(9-16)29-13-17-10-18-12-26(6-7-27(18)25-17)21(28)14-4-5-15(11-24)20(23)8-14/h1-5,8-10H,6-7,12-13H2","""AuxInfo=1/0/N:22,21,23,5,4,10,11,27,18,24,2,26,15,6,3,19,14,25,17,28,7,20,29,1,13,9,12,8,16/rA:29NCCCCCCONCCNNCCOCCCFCCCCCCCCF/rB:t1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s14;s12d24;s9s25;s6;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ULDBOWIRGDMZPF_on_P14867_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL676825;CHEMBL822165,PMID:8627617,1996.0,PMID:10633039;PMID:8627617;PMID:9767648,2000;1996;1998,0,0,0,1,0,,=,  7.830;  7.830;  7.830,7.83,0.0,0.0,3.0,7.83,0.0
-ULDBOWIRGDMZPF_on_P18507_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676825;CHEMBL681840;CHEMBL678740;CHEMBL824296;CHEMBL822165;CHEMBL683045;CHEMBL678329;CHEMBL681248;CHEMBL681480;CHEMBL682251;CHEMBL677845;CHEMBL683047;CHEMBL685338;CHEMBL823916,PMID:8627617,1996.0,PMID:8627617;PMID:8627617;PMID:8627617;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:8627617;PMID:9767648;PMID:9767648;PMID:9767648,1996;1996;1996;1998;1998;2000;2000;2000;2000;2000;1996;1998;1998;1998,0,0,0,1,0,,=,  7.830;  7.250;  7.600;  7.250;  7.830;  7.640;  7.830;  7.250;  8.760;  7.600;  7.640;  7.640;  8.760;  7.600,7.749,0.456,0.127,14.0,7.64,0.19
-ULDBOWIRGDMZPF_on_P28472_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822165;CHEMBL824296;CHEMBL685338;CHEMBL823916;CHEMBL683047;CHEMBL678329;CHEMBL681480;CHEMBL681248;CHEMBL682251;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.830;  7.250;  8.760;  7.600;  7.640;  7.830;  8.760;  7.250;  7.600;  7.640,7.816,0.508,0.16899999999999998,10.0,7.64,0.19
-ULDBOWIRGDMZPF_on_P31644_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.760;  8.760,8.76,0.0,0.0,2.0,8.76,0.0
-ULDBOWIRGDMZPF_on_P34903_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL678740;CHEMBL682251,PMID:8627617,1996.0,PMID:9767648;PMID:8627617;PMID:10633039,1998;1996;2000,0,0,0,1,0,,=,  7.600;  7.600;  7.600,7.6,0.0,0.0,3.0,7.6,0.0
-ULDBOWIRGDMZPF_on_P47869_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248;CHEMBL681840,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:8627617,1998;2000;1996,0,0,0,1,0,,=,  7.250;  7.250;  7.250,7.25,0.0,0.0,3.0,7.25,0.0
-ULDBOWIRGDMZPF_on_P47870_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL676825;CHEMBL681840;CHEMBL678740;CHEMBL677845,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  7.830;  7.250;  7.600;  7.640,7.58,0.209,0.121,4.0,7.62,0.115
-ULDBOWIRGDMZPF_on_Q16445_WT,Low,ChEMBL30,CHEMBL58570,CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O,ULDBOWIRGDMZPF,ULDBOWIRGDMZPF-UHFFFAOYSA-N,"InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3","""AuxInfo=1/0/N:1,17,18,19,23,2,8,7,4,21,10,3,5,6,20,12,24,13,16,11,22,9,25,14,15/E:(2,3,4)/rA:25CCCCCCCCNCNCCOOCCCCCCNCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;d10;s11;s12;d13;s13;s15;s16;s16;s16;s9d12;s20;s21;s22;s5s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047;CHEMBL677845,PMID:8627617,1996.0,PMID:10633039;PMID:9767648;PMID:8627617,2000;1998;1996,0,0,0,1,0,,=,  7.640;  7.640;  7.640,7.64,0.0,0.0,3.0,7.64,0.0
-ULDTZSMFIMQBSA_on_P14867_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822162,PMID:9651158,1998.0,PMID:10633039;PMID:9651158,2000;1998,0,0,0,1,0,,=,  7.680;  7.680,7.68,0.0,0.0,2.0,7.68,0.0
-ULDTZSMFIMQBSA_on_P18507_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL685337;CHEMBL822162;CHEMBL824294;CHEMBL681248;CHEMBL681480;CHEMBL823761,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:9651158,2000;2000;1998;1998;1998;2000;2000;1998,0,0,0,1,0,,=,  7.680;  7.230;  7.170;  7.680;  7.110;  7.110;  7.170;  7.230,7.297000000000001,0.225,0.085,8.0,7.2,0.06
-ULDTZSMFIMQBSA_on_P28472_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL681248;CHEMBL823761;CHEMBL822162;CHEMBL685337;CHEMBL824294;CHEMBL682251;CHEMBL678329,PMID:9651158,1998.0,PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039,2000;2000;1998;1998;1998;1998;2000;2000,0,0,0,1,0,,=,  7.170;  7.110;  7.230;  7.680;  7.170;  7.110;  7.230;  7.680,7.297999999999999,0.225,0.085,8.0,7.2,0.06
-ULDTZSMFIMQBSA_on_P31644_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.170;  7.170,7.17,0.0,0.0,2.0,7.17,0.0
-ULDTZSMFIMQBSA_on_P34903_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.230;  7.230,7.23,0.0,0.0,2.0,7.23,0.0
-ULDTZSMFIMQBSA_on_P47869_WT,Low,ChEMBL30,CHEMBL273464,CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC,ULDTZSMFIMQBSA,ULDTZSMFIMQBSA-UHFFFAOYSA-N,"InChI=1S/C23H22N2O3/c1-3-17-21-18-12-16(28-14-15-8-6-5-7-9-15)10-11-19(18)25-20(21)13-24-22(17)23(26)27-4-2/h5-13,25H,3-4,14H2,1-2H3","""AuxInfo=1/0/N:28,1,27,2,20,19,21,18,22,23,24,13,8,16,17,14,26,12,11,9,25,6,4,7,10,5,3,15/E:(6,7)(8,9)/rA:28CCOCOCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;s9s12;s6d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.110;  7.110,7.11,0.0,0.0,2.0,7.11,0.0
-ULEYGJIHXNKGIJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113466,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(C)C)c(Cl)c3)n2)cc(C)n1,ULEYGJIHXNKGIJ,ULEYGJIHXNKGIJ-UHFFFAOYSA-N,"InChI=1S/C24H28ClN3O2/c1-14(2)30-22-7-6-18(12-20(22)25)24-27-23(19-10-15(3)26-16(4)11-19)21-8-9-29-17(5)13-28(21)24/h6-7,10-12,14,17H,8-9,13H2,1-5H3","""AuxInfo=1/0/N:21,22,1,29,11,16,17,7,8,3,27,25,12,20,2,28,10,15,4,23,6,18,5,14,24,30,26,13,9,19/E:(1,2)(3,4)(10,11)(15,16)/rA:30CCCCCCCCOCCCNCCCCCOCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-ULFXKGMWUZEZPT_on_P14867_WT,Low,ChEMBL30,CHEMBL3289204,CC1CCN(C(=O)C=CC=Cc2cc3c(cc2)OCO3)CC1,ULFXKGMWUZEZPT,ULFXKGMWUZEZPT-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-14-8-10-19(11-9-14)18(20)5-3-2-4-15-6-7-16-17(12-15)22-13-21-16/h2-7,12,14H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,8,17,16,3,22,4,21,13,19,2,12,15,14,6,5,7,18,20/E:(8,9)(10,11)/rA:22CCCCNCOCCCCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;d6;s6;w?8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14s19;s5;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-ULFXKGMWUZEZPT_on_P18507_WT,Low,ChEMBL30,CHEMBL3289204,CC1CCN(C(=O)C=CC=Cc2cc3c(cc2)OCO3)CC1,ULFXKGMWUZEZPT,ULFXKGMWUZEZPT-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-14-8-10-19(11-9-14)18(20)5-3-2-4-15-6-7-16-17(12-15)22-13-21-16/h2-7,12,14H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,8,17,16,3,22,4,21,13,19,2,12,15,14,6,5,7,18,20/E:(8,9)(10,11)/rA:22CCCCNCOCCCCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;d6;s6;w?8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14s19;s5;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-ULFXKGMWUZEZPT_on_P47870_WT,Low,ChEMBL30,CHEMBL3289204,CC1CCN(C(=O)C=CC=Cc2cc3c(cc2)OCO3)CC1,ULFXKGMWUZEZPT,ULFXKGMWUZEZPT-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-14-8-10-19(11-9-14)18(20)5-3-2-4-15-6-7-16-17(12-15)22-13-21-16/h2-7,12,14H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,10,9,11,8,17,16,3,22,4,21,13,19,2,12,15,14,6,5,7,18,20/E:(8,9)(10,11)/rA:22CCCCNCOCCCCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;d6;s6;w?8;s9;w?10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14s19;s5;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-ULGOEAHHQNZHTC_on_P41594_WT,High,ChEMBL30,CHEMBL195944,Cc1cccc(S(=O)(=O)N2CC=C(C#Cc3ncccc3)CC2)c1,ULGOEAHHQNZHTC,ULGOEAHHQNZHTC-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2S/c1-16-5-4-7-19(15-16)24(22,23)21-13-10-17(11-14-21)8-9-18-6-2-3-12-20-18/h2-7,10,12,15H,11,13-14H2,1H3","""AuxInfo=1/0/N:1,20,19,4,3,21,5,14,15,12,22,18,11,23,24,2,13,16,6,17,10,8,9,7/E:(22,23)/CRV:24.6/rA:24CCCCCCSOONCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;d7;s7;s10;s11;w?12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10s22;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ULKFRFBFKYUUPL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485175,CC1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)O1,ULKFRFBFKYUUPL,ULKFRFBFKYUUPL-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-14-11-19(18(20)22-14)12-15-7-9-17(10-8-15)21-13-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,7,19,8,18,3,5,11,2,6,12,9,20,4,21,10,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCCNCCCCCOCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-ULKVTWZZSYMWKM_on_O15399_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_O60391_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_Q13224_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULKVTWZZSYMWKM_on_Q14957_WT,Low,ChEMBL30,CHEMBL1196454,CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2,ULKVTWZZSYMWKM,ULKVTWZZSYMWKM-UHFFFAOYSA-N,"InChI=1S/C27H33N3/c1-25-14-21-15-26(2,17-25)19-27(16-21,18-25)30-24(28)29-23-11-7-6-10-22(23)13-12-20-8-4-3-5-9-20/h3-13,21H,14-19H2,1-2H3,(H3,28,29,30)","""AuxInfo=1/1/N:1,7,26,25,27,18,17,24,28,19,16,22,21,3,5,29,8,30,9,23,4,20,15,12,2,6,10,13,14,11/E:(1,2)(4,5)(8,9)(14,15)(18,19)(25,26)/rA:30CCCCCCCCCCNCNNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s6;s9;s10;w?11;s12;s12;s14;d15;s16;d17;s18;s15d19;s20;w?21;s22;d23;s24;d25;s26;s23d27;s4s10;s2s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ULMKSNRBNFFOJQ_on_O00591_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_O14764_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P14867_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P18505_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P18507_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P28472_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P31644_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P34903_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P47869_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P47870_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P48169_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_P78334_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMKSNRBNFFOJQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL420066,COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,ULMKSNRBNFFOJQ,ULMKSNRBNFFOJQ-UHFFFAOYSA-N,"InChI=1S/C16H19N3O3/c1-21-10-7-8-14-12(9-10)18-16(22-14)19-13-6-4-2-3-5-11(13)17-15(19)20/h7-9,11,13H,2-6H2,1H3,(H,17,20)","""AuxInfo=1/1/N:1,16,15,17,14,18,4,5,22,3,13,21,19,6,10,8,12,20,9,11,2,7/rA:22COCCCCOCNCONCCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s9s13s18;d8;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ULMLVGYYGWVNSC_on_P14867_WT,Low,ChEMBL30,CHEMBL488284,CCCCC(=O)c1c(O)c2c(ccc(CCc3ccccc3)c2)nc1,ULMLVGYYGWVNSC,ULMLVGYYGWVNSC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,3,20,19,21,18,22,4,16,15,13,12,23,25,17,14,10,7,11,5,8,24,6,9/E:(5,6)(7,8)/rA:25CCCCCOCCOCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s11;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-ULMLVGYYGWVNSC_on_P18507_WT,Low,ChEMBL30,CHEMBL488284,CCCCC(=O)c1c(O)c2c(ccc(CCc3ccccc3)c2)nc1,ULMLVGYYGWVNSC,ULMLVGYYGWVNSC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,3,20,19,21,18,22,4,16,15,13,12,23,25,17,14,10,7,11,5,8,24,6,9/E:(5,6)(7,8)/rA:25CCCCCOCCOCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s11;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-ULMLVGYYGWVNSC_on_P47870_WT,Low,ChEMBL30,CHEMBL488284,CCCCC(=O)c1c(O)c2c(ccc(CCc3ccccc3)c2)nc1,ULMLVGYYGWVNSC,ULMLVGYYGWVNSC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,3,20,19,21,18,22,4,16,15,13,12,23,25,17,14,10,7,11,5,8,24,6,9/E:(5,6)(7,8)/rA:25CCCCCOCCOCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s11;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  9.280,9.28,0.0,0.0,1.0,9.28,0.0
-ULOSWQLZXFWNJV_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70687764;CHEMBL2023460,c1ccc(COc2ccc3c(-c4cn(-c5ccccc5)nc4)ccnc3c2)cc1,ULOSWQLZXFWNJV,ULOSWQLZXFWNJV-UHFFFAOYSA-N,"InChI=1S/C25H19N3O/c1-3-7-19(8-4-1)18-29-22-11-12-24-23(13-14-26-25(24)15-22)20-16-27-28(17-20)21-9-5-2-6-10-21/h1-17H,18H2","""AuxInfo=1/0/N:1,18,2,29,17,19,3,28,16,20,8,9,23,24,27,22,13,5,4,12,15,7,11,10,26,25,21,14,6/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCCCOCCCCCCCNCCCCCCNCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;d11;s23;d24;s10s25;s7d26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  6.194;  6.190,6.192,0.002,0.002,2.0,6.192,0.002
-ULUNDIYSXXKVCL_on_P41594_WT,High,ChEMBL30,CHEMBL3702382,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1,ULUNDIYSXXKVCL,ULUNDIYSXXKVCL-UHFFFAOYSA-N,"InChI=1S/C20H17IN2O2/c1-25-14-5-2-4-13(10-14)18-11-19-16-6-3-7-17(21)15(16)8-9-23(19)20(24)12-22-18/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,25,24,10,7,3,16,17,21,8,23,11,22,9,13,12,2/rA:25COCCCCCCNCCONCCCCCCCCICCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-ULUNDIYSXXKVCL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702382,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1,ULUNDIYSXXKVCL,ULUNDIYSXXKVCL-UHFFFAOYSA-N,"InChI=1S/C20H17IN2O2/c1-25-14-5-2-4-13(10-14)18-11-19-16-6-3-7-17(21)15(16)8-9-23(19)20(24)12-22-18/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,20,15,14,25,24,10,7,3,16,17,21,8,23,11,22,9,13,12,2/rA:25COCCCCCCNCCONCCCCCCCCICCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s13s17;s8w?23;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-ULVJJZXZCOTFDK_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45271257;CHEMBL551894,O=C(NCc1ccco1)c1cnc(C#Cc2ccccc2)cc1,ULVJJZXZCOTFDK,ULVJJZXZCOTFDK-UHFFFAOYSA-N,"InChI=1S/C19H14N2O2/c22-19(21-14-18-7-4-12-23-18)16-9-11-17(20-13-16)10-8-15-5-2-1-3-6-15/h1-7,9,11-13H,14H2,(H,21,22)","""AuxInfo=1/1/N:19,18,20,7,17,21,6,15,23,14,22,8,11,4,16,10,13,5,2,12,3,1,9/E:(2,3)(5,6)/rA:23OCNCCCCCOCCNCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:420101;CHEMBL1032756,PMID:19443216,2009.0,PubChemAID:420101;PMID:19443216,2010;2009,0,0;1,0,0,1;0,,=,  6.745;  6.750,6.747999999999999,0.002,0.002,2.0,6.747999999999999,0.002
-ULYYZPXBZRDUFF_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594106,CCC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,ULYYZPXBZRDUFF,ULYYZPXBZRDUFF-UHFFFAOYSA-N,"""InChI=1S/C21H36O4S.C5H5N/c1-4-14-6-8-18-17-7-5-15-13-16(25-26(22,23)24)9-11-21(15,3)19(17)10-12-20(14,18)2;1-2-4-6-5-3-1/h14-19H,4-13H2,1-3H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,26,21,2,9,4,8,5,18,23,19,24,11,3,10,12,7,6,22,25,20,15,16,17,13,14;27,28,32,29,31,30/E:(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s23;s3s6s24;s25;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ULYYZPXBZRDUFF_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594106,CCC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,ULYYZPXBZRDUFF,ULYYZPXBZRDUFF-UHFFFAOYSA-N,"""InChI=1S/C21H36O4S.C5H5N/c1-4-14-6-8-18-17-7-5-15-13-16(25-26(22,23)24)9-11-21(15,3)19(17)10-12-20(14,18)2;1-2-4-6-5-3-1/h14-19H,4-13H2,1-3H3,(H,22,23,24);1-5H""","""AuxInfo=1/1/N:1,26,21,2,9,4,8,5,18,23,19,24,11,3,10,12,7,6,22,25,20,15,16,17,13,14;27,28,32,29,31,30/E:(22,23,24);(2,3)(4,5)/CRV:26.6;/rA:32CCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s20;s7s20;s22;s23;s3s6s24;s25;;d27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-UMAUILYMGJQSCQ_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209667,Cc1ccc(C=Cc2nc(N)ncc2)cc1,UMAUILYMGJQSCQ,UMAUILYMGJQSCQ-UHFFFAOYSA-N,"InChI=1S/C13H13N3/c1-10-2-4-11(5-3-10)6-7-12-8-9-15-13(14)16-12/h2-9H,1H3,(H2,14,15,16)","""AuxInfo=1/1/N:1,3,16,4,15,6,7,14,13,2,5,8,10,11,12,9/E:(2,3)(4,5)/rA:16CCCCCCCCNCNNCCCC/rB:s1;d2;s3;d4;s5;w?6;s7;d8;s9;s10;d10;s12;s8d13;s5;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UMBHXQNJEMMKIG_on_P18507_WT,Low,ChEMBL30,CHEMBL1783283,CCCNC(=O)c1nnc2c(-c3c(OC)cc(OC)cc3)c(F)ccc2c1N,UMBHXQNJEMMKIG,UMBHXQNJEMMKIG-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)13-7-8-14(21)16(18(13)24-25-19)12-6-5-11(27-2)10-15(12)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,19,15,2,20,21,25,24,3,16,17,12,26,22,13,11,27,10,7,5,23,28,4,9,8,6,18,14/rA:28CCCNCOCNNCCCCOCCCOCCCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.390,9.39,0.0,0.0,1.0,9.39,0.0
-UMBHXQNJEMMKIG_on_P28472_WT,Low,ChEMBL30,CHEMBL1783283,CCCNC(=O)c1nnc2c(-c3c(OC)cc(OC)cc3)c(F)ccc2c1N,UMBHXQNJEMMKIG,UMBHXQNJEMMKIG-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)13-7-8-14(21)16(18(13)24-25-19)12-6-5-11(27-2)10-15(12)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,19,15,2,20,21,25,24,3,16,17,12,26,22,13,11,27,10,7,5,23,28,4,9,8,6,18,14/rA:28CCCNCOCNNCCCCOCCCOCCCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.390,9.39,0.0,0.0,1.0,9.39,0.0
-UMBHXQNJEMMKIG_on_P47869_WT,Low,ChEMBL30,CHEMBL1783283,CCCNC(=O)c1nnc2c(-c3c(OC)cc(OC)cc3)c(F)ccc2c1N,UMBHXQNJEMMKIG,UMBHXQNJEMMKIG-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)13-7-8-14(21)16(18(13)24-25-19)12-6-5-11(27-2)10-15(12)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,19,15,2,20,21,25,24,3,16,17,12,26,22,13,11,27,10,7,5,23,28,4,9,8,6,18,14/rA:28CCCNCOCNNCCCCOCCCOCCCCFCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s18;s17;s12d20;d11;s22;s22;d24;s10s25;s7d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  9.390,9.39,0.0,0.0,1.0,9.39,0.0
-UMDKBGDQXHBTGM_on_P41594_WT,Low,ChEMBL30,CHEMBL1951667,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)c(F)c1,UMDKBGDQXHBTGM,UMDKBGDQXHBTGM-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-22(2)15-6-8-21-18-16(15)12-7-9-23(19(24)17(12)26-18)14-5-4-11(25-3)10-13(14)20/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,4,5,19,9,20,8,26,3,10,24,6,15,14,11,13,22,25,21,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCCCCSCCCNCCCCNCOCFC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s24;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UMDKBGDQXHBTGM_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118813;CHEMBL1951667,COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)c(F)c1,UMDKBGDQXHBTGM,UMDKBGDQXHBTGM-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2S/c1-22(2)15-6-8-21-18-16(15)12-7-9-23(19(24)17(12)26-18)14-5-4-11(25-3)10-13(14)20/h4-10H,1-3H3","""AuxInfo=1/0/N:17,18,1,4,5,19,9,20,8,26,3,10,24,6,15,14,11,13,22,25,21,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCCCCSCCCNCCCCNCOCFC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s24;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.854;  7.850,7.852,0.002,0.002,2.0,7.852,0.002
-UMMILIJIYFWZHO_on_P18507_WT,Low,ChEMBL30,CHEMBL236209,CCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UMMILIJIYFWZHO,UMMILIJIYFWZHO-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-20-21-22(10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,20,7,15,6,12,21,11,16,13,22,17,18,19,8,9,10/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UMMILIJIYFWZHO_on_P47869_WT,Low,ChEMBL30,CHEMBL236209,CCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UMMILIJIYFWZHO,UMMILIJIYFWZHO-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-20-21-22(10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,20,7,15,6,12,21,11,16,13,22,17,18,19,8,9,10/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UMMILIJIYFWZHO_on_P47870_WT,Low,ChEMBL30,CHEMBL236209,CCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UMMILIJIYFWZHO,UMMILIJIYFWZHO-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-20-21-22(10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,14,20,7,15,6,12,21,11,16,13,22,17,18,19,8,9,10/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;d11;s12;s12;d14;s15;s16;s16;s16;s15;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UMNMVUGGTKAKKC_on_P14867_WT,Low,ChEMBL30,CHEMBL372340,CC(C)Nc1nncc(-c2cc(Br)ccc2)c1,UMNMVUGGTKAKKC,UMNMVUGGTKAKKC-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,4,6/E:(1,2)/rA:17CCCNCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-UMNMVUGGTKAKKC_on_P18507_WT,Low,ChEMBL30,CHEMBL372340,CC(C)Nc1nncc(-c2cc(Br)ccc2)c1,UMNMVUGGTKAKKC,UMNMVUGGTKAKKC-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,4,6/E:(1,2)/rA:17CCCNCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL882867;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140;  7.660;  8.140,7.98,0.226,0.16,3.0,8.14,0.0
-UMNMVUGGTKAKKC_on_P28472_WT,Low,ChEMBL30,CHEMBL372340,CC(C)Nc1nncc(-c2cc(Br)ccc2)c1,UMNMVUGGTKAKKC,UMNMVUGGTKAKKC-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,4,6/E:(1,2)/rA:17CCCNCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140;  8.140;  7.660,7.98,0.226,0.16,3.0,8.14,0.0
-UMNMVUGGTKAKKC_on_P31644_WT,Low,ChEMBL30,CHEMBL372340,CC(C)Nc1nncc(-c2cc(Br)ccc2)c1,UMNMVUGGTKAKKC,UMNMVUGGTKAKKC-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,4,6/E:(1,2)/rA:17CCCNCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-UMNMVUGGTKAKKC_on_P34903_WT,Low,ChEMBL30,CHEMBL372340,CC(C)Nc1nncc(-c2cc(Br)ccc2)c1,UMNMVUGGTKAKKC,UMNMVUGGTKAKKC-UHFFFAOYSA-N,"InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)","""AuxInfo=1/1/N:1,3,15,16,14,11,17,8,2,10,9,12,5,13,7,4,6/E:(1,2)/rA:17CCCNCNNCCCCCBrCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s10d15;s5d9;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-UMNXTSDMDWDOJW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939979,Cn1cc(-c2cc(C(N)=O)nc3c2cccc3)cn1,UMNXTSDMDWDOJW,UMNXTSDMDWDOJW-UHFFFAOYSA-N,"InChI=1S/C14H12N4O/c1-18-8-9(7-16-18)11-6-13(14(15)19)17-12-5-3-2-4-10(11)12/h2-8H,1H3,(H2,15,19)","""AuxInfo=1/1/N:1,15,16,14,17,6,18,3,4,13,5,12,7,8,9,19,11,2,10/rA:19CNCCCCCCNONCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s12d16;s4;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-UMPZWCCEDPZVQK_on_P41594_WT,High,ChEMBL30,CHEMBL3655643,N#Cc1cc(C(=O)Nc2cc(Oc3cncnc3)ccn2)ccc1,UMPZWCCEDPZVQK,UMPZWCCEDPZVQK-UHFFFAOYSA-N,"InChI=1S/C17H11N5O2/c18-8-12-2-1-3-13(6-12)17(23)22-16-7-14(4-5-21-16)24-15-9-19-11-20-10-15/h1-7,9-11H,(H,21,22,23)","""AuxInfo=1/1/N:23,24,22,19,20,4,10,2,14,18,16,3,5,11,13,9,6,1,15,17,21,8,7,12/E:(9,10)(19,20)/rA:24NCCCCCONCCCOCCNCNCCCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s19;s9d20;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-UMQUUXLLUHJNGK_on_P18507_WT,Low,ChEMBL30,CHEMBL1078958,Cc1c2Cn3ncnc3-c3c(cccc3Cl)-n2cn1,UMQUUXLLUHJNGK,UMQUUXLLUHJNGK-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCClNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-UMQUUXLLUHJNGK_on_P28472_WT,Low,ChEMBL30,CHEMBL1078958,Cc1c2Cn3ncnc3-c3c(cccc3Cl)-n2cn1,UMQUUXLLUHJNGK,UMQUUXLLUHJNGK-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCClNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-UMQUUXLLUHJNGK_on_P31644_WT,Low,ChEMBL30,CHEMBL1078958,Cc1c2Cn3ncnc3-c3c(cccc3Cl)-n2cn1,UMQUUXLLUHJNGK,UMQUUXLLUHJNGK-UHFFFAOYSA-N,"InChI=1S/C13H10ClN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,14,12,4,7,18,2,15,11,3,10,9,16,8,19,6,17,5/rA:19CCCCNNCNCCCCCCCClNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s10d14;s15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-UMTYPARMVQQFES_on_Q14416_WT,High,ChEMBL30,CHEMBL3221846,CCCn1ccc2c(cccc2N(Cl)Cc2ccccc2)c1=O,UMTYPARMVQQFES,UMTYPARMVQQFES-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-2-12-21-13-11-16-17(19(21)23)9-6-10-18(16)22(20)14-15-7-4-3-5-8-15/h3-11,13H,2,12,14H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,10,17,21,9,11,6,3,5,15,16,7,8,12,22,14,4,13,23/E:(4,5)(7,8)/rA:23CCCNCCCCCCCCNClCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s13;s15;d16;s17;d18;s19;s16d20;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-UMXLXVYFNNQMDB_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2029807;25002587,CCCCn1ccc(-c2ccc(Oc3cc(C)ncc3)cc2)c(C#N)c1=O,UMXLXVYFNNQMDB,UMXLXVYFNNQMDB-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-3-4-12-25-13-10-20(21(15-23)22(25)26)17-5-7-18(8-6-17)27-19-9-11-24-16(2)14-19/h5-11,13-14H,3-4,12H2,1-2H3","""AuxInfo=1/0/N:1,17,2,3,10,22,11,21,20,7,19,4,6,15,24,16,9,12,14,8,23,26,25,18,5,27,13/E:(5,6)(7,8)/rA:27CCCCNCCCCCCCOCCCCNCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;s16;d16;s18;s14d19;s12;s9d21;d8;s23;t24;s5s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868;PubChemAID:663068,PMID:22364337,2012.0,PMID:22364337;PubChemAID:663068,2012;2013,0,1;0,0,0,0;1,,=,  6.400;  6.400,6.4,0.0,0.0,2.0,6.4,0.0
-UMYHTSFSQDURMB_on_P41594_WT,High,ChEMBL30,CHEMBL3660259,O=C(Nc1nc(Cl)ccc1)c1cc(Oc2cncnc2)ccn1,UMYHTSFSQDURMB,UMYHTSFSQDURMB-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)","""AuxInfo=1/1/N:9,8,10,21,22,12,16,20,18,13,15,11,6,4,2,7,17,19,23,5,3,1,14/E:(7,8)(17,18)/rA:23OCNCNCClCCCCCCOCCNCNCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-UMYWGMKUCZAQJO_on_O00591_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_O14764_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P14867_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P18505_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P18507_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P28472_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P31644_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P34903_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P47869_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P47870_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P48169_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_P78334_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_Q16445_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMYWGMKUCZAQJO_on_Q99928_WT,Low,ChEMBL30,CHEMBL153252,O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1,UMYWGMKUCZAQJO,UMYWGMKUCZAQJO-UHFFFAOYSA-N,"InChI=1S/C17H12Cl2N4O3/c18-11-5-6-13-14(8-11)22-17(21-23(13)25)10(9-20-22)7-16(24)26-15-4-2-1-3-12(15)19/h1-6,8-10,17H,7H2","""AuxInfo=1/0/N:24,25,23,26,11,10,3,14,5,4,12,21,9,8,20,2,18,13,22,6,17,7,15,1,16,19/CRV:23.5/rA:26OCCCCNNCCCCCClCN+O-NCOCCClCCCC/rB:d1;s2;s3;s4;w?5;s6;s7;d8;s9;d10;s11;s12;s8d12;s9;s15;w?15;s4s7s17;s2;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UMZSZTYINWHYPR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3959064,O=C(c1cc(F)cc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1,UMZSZTYINWHYPR,UMZSZTYINWHYPR-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-8-14(9-16(22)10-15)20(26)24-6-7-25-18(12-24)11-17(23-25)13-27-19-4-2-1-3-5-19/h1-5,8-11H,6-7,12-13H2","""AuxInfo=1/0/N:22,21,23,20,24,12,13,4,10,7,25,27,17,3,5,8,16,26,19,2,6,9,15,11,14,1,18/E:(2,3)(4,5)(8,9)(15,16)(21,22)/rA:27OCCCCFCCFCNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;s5;d5;s7;s8;s3d8;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s14d25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-UNBIVDPTRGTTPR_on_P41594_WT,High,ChEMBL30,CHEMBL3672906,O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)scn2,UNBIVDPTRGTTPR,UNBIVDPTRGTTPR-UHFFFAOYSA-N,"InChI=1S/C14H12ClN5OS/c15-9-6-16-13-5-11(18-20(13)7-9)14(21)19-3-1-10-12(2-4-19)22-8-17-10/h5-8H,1-4H2","""AuxInfo=1/0/N:15,18,14,19,12,9,6,21,7,16,3,17,11,2,8,10,22,4,13,5,1,20/rA:22OCCNNCCClCNCCNCCCCCCSCN/rB:d1;s2;d3;s4;s5;d6;s7;s7;d9;s5s10;s3d11;s2;s13;s14;s15;d16;s17;s13s18;s17;s20;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  7.230,7.23,0.0,0.0,1.0,7.23,0.0
-UNBQMUNNSLPLLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL392036,CCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UNBQMUNNSLPLLQ,UNBQMUNNSLPLLQ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,5,11,17,12,9,18,3,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s5;s4;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-UNBQMUNNSLPLLQ_on_P28472_WT,High,ChEMBL30,CHEMBL392036,CCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UNBQMUNNSLPLLQ,UNBQMUNNSLPLLQ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,5,11,17,12,9,18,3,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s5;s4;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-UNBQMUNNSLPLLQ_on_P47869_WT,Low,ChEMBL30,CHEMBL392036,CCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UNBQMUNNSLPLLQ,UNBQMUNNSLPLLQ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,5,11,17,12,9,18,3,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s5;s4;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-UNBQMUNNSLPLLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL392036,CCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UNBQMUNNSLPLLQ,UNBQMUNNSLPLLQ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,5,11,17,12,9,18,3,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(8,9)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;d3;s4;s5;s4;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-UNBRFNPIVCHRLQ_on_Q14416_WT,High,ChEMBL30,CHEMBL3963034,Fc1cc(F)c(OC2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1,UNBRFNPIVCHRLQ,UNBRFNPIVCHRLQ-UHFFFAOYSA-N,"InChI=1S/C23H23F5N4O/c24-16-3-4-19(18(25)12-16)33-17-6-8-31(9-7-17)13-15-5-10-32-20(11-14-1-2-14)29-30-22(32)21(15)23(26,27)28/h3-5,10,12,14,17H,1-2,6-9,11,13H2","""AuxInfo=1/0/N:25,26,33,32,29,9,31,10,30,28,23,3,12,24,13,2,8,4,6,22,14,19,15,1,5,16,17,18,21,20,11,27,7/E:(1,2)(6,7)(8,9)(26,27,28)/rA:33FCCCFCOCCCNCCCCFFFCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s11;s8s30;s6;s2d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-UNDUSVBXIVZGOQ_on_O15399_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_O60391_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNDUSVBXIVZGOQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL311074,NC1=Nc2c3c(cccc3ccc2)N1,UNDUSVBXIVZGOQ,UNDUSVBXIVZGOQ-UHFFFAOYSA-N,"InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)","""AuxInfo=1/1/N:8,12,9,11,7,13,10,6,4,5,2,1,14,3/E:(1,2)(3,4)(5,6)(8,9)(13,14)/rA:14NCNCCCCCCCCCCN/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s5s9;d10;s11;s4d12;s2s6;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763610,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNEVLWUUXBQMAX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3898608,CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C,UNEVLWUUXBQMAX,UNEVLWUUXBQMAX-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-18(2)13-22(17(23)21(18)3)16-19-11-15(12-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-12H,13H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,8,18,20,12,9,6,3,21,7,19,2,5,4/E:(1,2)(5,6)(7,8)(11,12)(19,20)/rA:23CNCONCNCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UNIDAFCQFPGYJJ_on_P41594_WT,Low,ChEMBL30,CHEMBL345498,NC(C(=O)O)c1c(Cl)ccc(O)c1,UNIDAFCQFPGYJJ,UNIDAFCQFPGYJJ-UHFFFAOYSA-N,"InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)","""AuxInfo=1/1/N:10,9,13,11,6,7,2,3,8,1,12,4,5/E:(12,13)/rA:13NCCOOCCClCCCOC/rB:s1;s2;d3;s3;s2;d6;s7;s7;d9;s10;s11;s6d11;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL709915,PMID:10639281,1999.0,PMID:10639281,1999,0,1,0,0,0,,=,  3.125,3.125,0.0,0.0,1.0,3.125,0.0
-UNJFTNACNPGPEC_on_P14867_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.040,8.04,0.0,0.0,1.0,8.04,0.0
-UNJFTNACNPGPEC_on_P18507_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273616;CHEMBL1273615;CHEMBL1273618;CHEMBL1273620;CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.350;  7.890;  8.040;  5.700;  5.700;  7.140,6.803,0.9540000000000001,0.42700000000000005,6.0,6.745,1.045
-UNJFTNACNPGPEC_on_P28472_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273618;CHEMBL1273616;CHEMBL1273620;CHEMBL1273617;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.040;  5.700;  7.890;  5.700;  7.140;  6.350,6.803,0.9540000000000001,0.42700000000000005,6.0,6.745,1.045
-UNJFTNACNPGPEC_on_P31644_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-UNJFTNACNPGPEC_on_P34903_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-UNJFTNACNPGPEC_on_P47869_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-UNJFTNACNPGPEC_on_P48169_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-UNJFTNACNPGPEC_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270442,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,UNJFTNACNPGPEC,UNJFTNACNPGPEC-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,3,22/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCSCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-UNKXYDTXEVFSAG_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53247219;CHEMBL2426601;CHEMBL2426601,O=C1c2c(CCN1CC1CC1)nc(COc1ccccc1)s2,UNKXYDTXEVFSAG,UNKXYDTXEVFSAG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2S/c20-17-16-14(8-9-19(17)10-12-6-7-12)18-15(22-16)11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2","""AuxInfo=1/0/N:19,18,20,17,21,10,11,5,6,8,14,9,16,4,13,3,2,12,7,1,15,22/E:(2,3)(4,5)(6,7)/rA:22OCCCCCNCCCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s9s10;s4;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:770257;CHEMBL2426830;CHEMBL2426830,PMID:23947773,2013.0,PubChemAID:770257;PMID:23947773;PMID:23947773,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  6.602;  6.600;  6.600,6.601,0.001,0.001,3.0,6.6,0.0
-UNOLYCWUAKOIGH_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,56670441;CHEMBL1808894;CHEMBL1808894,Cc1cc(-c2ncc(C3CCCN3C(=O)c3cncs3)c(C)c2)ccn1,UNOLYCWUAKOIGH,UNOLYCWUAKOIGH-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-13-8-17(15-5-6-22-14(2)9-15)23-10-16(13)18-4-3-7-24(18)20(25)19-11-21-12-26-19/h5-6,8-12,18H,3-4,7H2,1-2H3","""AuxInfo=1/0/N:22,1,11,10,24,25,12,23,3,7,17,19,21,2,4,8,5,9,16,14,18,26,6,13,15,20/rA:26CCCCCNCCCCCCNCOCCNCSCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s9s12;s13;d14;s14;d16;s17;d18;s16s19;s8;s21;s5d21;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609897;CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PubChemAID:609897;PMID:21757343;PMID:21757343,2012;2011;2011,0;1;0,0,0,0;0;1,1;0;0,,=,  6.921;  6.920;  6.080,6.64,0.396,0.28,3.0,6.92,0.001
-UNTJFEAIYBLWEL_on_P31644_WT,High,ChEMBL30,CHEMBL3686271,CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1,UNTJFEAIYBLWEL,UNTJFEAIYBLWEL-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3/c1-12(2)21-18(23)13-6-7-16(20-9-13)24-10-14-11-25-22-17(14)15-5-3-4-8-19-15/h3-9,11-12H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,3,20,21,19,8,9,22,25,12,14,2,7,13,18,10,17,5,23,24,4,16,6,11,15/E:(1,2)/rA:25CCCNCOCCCCOCCCONCCCCCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s18d22;s10;s7d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-UNVLQEQCDAGLMK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408408;57388814,Clc1cccc(Nc2ncc3CCCCc3n2)c1,UNVLQEQCDAGLMK,UNVLQEQCDAGLMK-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3/c15-11-5-3-6-12(8-11)17-14-16-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9H,1-2,4,7H2,(H,16,17,18)","""AuxInfo=1/1/N:13,14,4,12,3,5,15,18,10,11,2,6,16,8,1,9,7,17/rA:18ClCCCCCNCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s11s15;s8d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  6.340;  6.345,6.3420000000000005,0.003,0.003,2.0,6.3420000000000005,0.002
-UNVWZDQOCAEGMW_on_Q14833_WT,High,ExCAPE-DB,56587911,COc1c(Cl)cc2nc(-c3ccccn3)[nH]c2c1,UNVWZDQOCAEGMW,UNVWZDQOCAEGMW-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O/c1-18-12-7-11-10(6-8(12)14)16-13(17-11)9-4-2-3-5-15-9/h2-7H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,12,13,11,14,6,18,4,10,7,17,3,9,5,15,8,16,2/rA:18COCCClCCNCCCCCCNNCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UNVYDSCXINFREZ_on_Q13224_WT,High,ChEMBL30,CHEMBL3892956,Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)C3)C2=O)cc1,UNVYDSCXINFREZ,UNVYDSCXINFREZ-UHFFFAOYSA-N,"InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3","""AuxInfo=1/0/N:1,3,28,4,27,16,21,17,20,13,9,12,8,6,24,2,5,15,18,14,22,10,25,23,11,7,19,26/E:(2,3)(4,5)(6,7)(8,9)/rA:28CCCCCCNCCCNCCCCCCCOCCCFCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;s22;s11s22;s7s10;d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4149901;CHEMBL4149864,PMID:29795762,2018.0,PMID:29795762,2018,0;1,0,0,1;0,0,,=,  8.200;  7.620,7.91,0.29,0.29,2.0,7.91,0.29
-UNXZNHBCTMVLPT_on_P41594_WT,High,ChEMBL30,CHEMBL3603917,Cc1cc(-c2cc(-n3cccn3)ncc2)cc(C#N)c1,UNXZNHBCTMVLPT,UNXZNHBCTMVLPT-UHFFFAOYSA-N,"InChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3","""AuxInfo=1/0/N:1,10,15,11,14,9,20,3,16,6,18,2,17,5,4,7,19,13,12,8/rA:20CCCCCCCNCCCNNCCCCCNC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;d7;s13;s5d14;d4;s16;s17;t18;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566;CHEMBL3606567,PMID:26225459,2015.0,PMID:26225459,2015,0;1,0,0,1;0,0,,=,  7.700;  7.700,7.7,0.0,0.0,2.0,7.7,0.0
-UNYGEWZQPSIPIP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3943225,COc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1Cl,UNYGEWZQPSIPIP,UNYGEWZQPSIPIP-UHFFFAOYSA-N,"InChI=1S/C16H13ClN4O4S/c1-25-15-6-5-12(8-13(15)17)26(23,24)21-10-11(9-19-21)20-16(22)14-4-2-3-7-18-14/h2-10H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,19,17,5,4,20,24,22,11,12,6,25,16,3,14,26,21,23,13,10,15,8,9,2,7/E:(23,24)/CRV:26.6/rA:26COCCCCSOONCCNCOCCCCCNCNCCCl/rB:s1;s2;d3;s4;d5;s6;d7;d7;s7;s10;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s10d22;s6;s3d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-UNZLVAUDWGXALA_on_O15399_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_O60391_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_Q05586_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_Q12879_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_Q13224_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZLVAUDWGXALA_on_Q14957_WT,Low,ChEMBL30,CHEMBL132511,CC(C)C12CC3CC(CC(N)(C3)C1)C2,UNZLVAUDWGXALA,UNZLVAUDWGXALA-UHFFFAOYSA-N,"InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3","""AuxInfo=1/0/N:1,3,7,5,14,12,9,13,2,6,8,4,10,11/E:(1,2)(4,5)(6,7)(10,11)/rA:14CCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s6s10;s4s10;s4s8;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.140,5.14,0.0,0.0,1.0,5.14,0.0
-UNZVWDNHNBIRAA_on_P41594_WT,High,ChEMBL30,CHEMBL197692,CCOc1cc(-c2c(C)ccnc2)cnc1Nc1nc(C)ccc1,UNZVWDNHNBIRAA,UNZVWDNHNBIRAA-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-4-24-17-10-15(16-12-20-9-8-13(16)2)11-21-19(17)23-18-7-5-6-14(3)22-18/h5-12H,4H2,1-3H3,(H,21,22,23)","""AuxInfo=1/1/N:1,9,21,2,23,22,24,10,11,5,14,13,8,20,6,7,4,18,16,12,15,19,17,3/rA:24CCOCCCCCCCCNCCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s7d12;d6;s14;s4d15;s16;s17;d18;s19;s20;d20;s22;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-UOBHJFUATAHTKA_on_Q14416_WT,High,ChEMBL30,CHEMBL2029813,Cc1nc(C)c(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)cc1,UOBHJFUATAHTKA,UOBHJFUATAHTKA-UHFFFAOYSA-N,"InChI=1S/C24H25N3O2/c1-16(2)11-13-27-14-12-21(22(15-25)24(27)28)19-6-8-20(9-7-19)29-23-10-5-17(3)26-18(23)4/h5-10,12,14,16H,11,13H2,1-4H3","""AuxInfo=1/0/N:22,23,1,5,29,10,26,9,27,28,20,25,19,24,14,21,2,4,11,8,12,13,6,16,15,3,18,17,7/E:(1,2)(6,7)(8,9)/rA:29CCNCCCOCCCCCCCNCONCCCCCCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s21;s21;s18;s12d24;s11;s8d26;s6;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-UOFQETXIPKMWEY_on_P41594_WT,High,ChEMBL30,CHEMBL2071572,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1cccc(Cl)c1,UOFQETXIPKMWEY,UOFQETXIPKMWEY-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O2/c19-13-4-1-3-11(7-13)17-21-18(25-22-17)12-8-16(24)23(10-12)15-6-2-5-14(20)9-15/h1-7,9,12H,8,10H2","""AuxInfo=1/0/N:10,21,9,11,22,20,14,3,25,17,8,4,12,23,19,2,7,5,13,24,6,15,18,1,16/rA:25OCCCCNCCCCCCClCNOCNCCCCCClC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s23;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-UOGUAODRHCJVGQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL161772,N=C(NCc1ccccc1)c1cc2c(cccc2)cc1,UOGUAODRHCJVGQ,UOGUAODRHCJVGQ-UHFFFAOYSA-N,"InChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,16,17,6,10,15,18,19,20,12,4,5,14,13,11,2,1,3/E:(2,3)(6,7)/rA:20NCNCCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;d15;s16;s13d17;s14;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-UOGUAODRHCJVGQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL161772,N=C(NCc1ccccc1)c1cc2c(cccc2)cc1,UOGUAODRHCJVGQ,UOGUAODRHCJVGQ-UHFFFAOYSA-N,"InChI=1S/C18H16N2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2,(H2,19,20)","""AuxInfo=1/1/N:8,7,9,16,17,6,10,15,18,19,20,12,4,5,14,13,11,2,1,3/E:(2,3)(6,7)/rA:20NCNCCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;d15;s16;s13d17;s14;s11d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-UOGUKNHTULIFIH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106741,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CO)c3)n2)ccn1,UOGUKNHTULIFIH,UOGUKNHTULIFIH-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O3/c1-13-9-15(5-7-25-13)20-18-6-8-29-14(2)11-27(18)21(26-20)16-3-4-19(30-22(23)24)17(10-16)12-28/h3-5,7,9-10,14,22,28H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,28,7,29,8,3,26,12,24,2,10,4,15,23,6,18,5,14,20,21,22,30,27,13,25,9,19/E:(23,24)/rA:30CCCCCCCCOCCCNCCCCCOCFFCCOCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s24;s15d23;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-UOJKSVVDYDTODM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11690041;CHEMBL182138,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCc1n[nH]nn1)c2,UOJKSVVDYDTODM,UOJKSVVDYDTODM-UHFFFAOYSA-N,"InChI=1S/C19H22Cl2N4O2/c1-19(12-5-2-3-6-12)10-11-9-13(16(20)17(21)15(11)18(19)26)27-8-4-7-14-22-24-25-23-14/h9,12H,2-8,10H2,1H3,(H,22,23,24,25)","""AuxInfo=1/1/N:1,5,6,20,4,7,21,19,27,8,9,3,17,22,10,15,13,11,2,16,14,23,26,24,25,12,18/E:(2,3)(5,6)(22,23)(24,25)/rA:27CCCCCCCCCCCOCClCClCOCCCCNNNNC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;s20;s21;d22;s23;s24;s22d25;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  5.301;  5.300,5.3,0.0,0.0,2.0,5.3,0.001
-UOLNZJKLKAYSAD_on_P41594_WT,High,ChEMBL30,CHEMBL3633950,O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12,UOLNZJKLKAYSAD,UOLNZJKLKAYSAD-UHFFFAOYSA-N,"InChI=1S/C21H21N3O2/c25-21(14-17-8-3-1-4-9-17)23-12-7-13-24-20(23)15-18(22-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2","""AuxInfo=1/0/N:7,22,6,8,21,23,12,5,9,20,24,11,13,3,25,17,4,16,19,26,2,15,10,14,1,18/E:(3,4)(5,6)(8,9)(10,11)/rA:26OCCCCCCCCNCCCNNCCOCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s10s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.430;  6.420,6.425,0.005,0.005,2.0,6.425,0.005
-UONDMYJWYPWEDY_on_Q14416_WT,High,ChEMBL30,CHEMBL3764544,Cc1cc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)ccc1,UONDMYJWYPWEDY,UONDMYJWYPWEDY-UHFFFAOYSA-N,"InChI=1S/C19H23N3O/c1-13-7-6-8-14(11-13)15-9-10-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4/h6-11H,12H2,1-5H3","""AuxInfo=1/0/N:1,18,19,20,12,22,23,21,6,7,3,16,2,4,5,8,9,13,17,10,11,15,14/E:(2,3,4)/rA:23CCCCCCCCCNNCCONCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s9;s11;s11;d13;s8s13;s15;s16;s17;s17;s17;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-UONRYRYMQQXRNL_on_P18507_WT,Low,ChEMBL30,CHEMBL569008,C#Cc1ccc2c(c1)-c1nncn1Cc1c(C(=O)OCC)ncn-21,UONRYRYMQQXRNL,UONRYRYMQQXRNL-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-20-19-10-21(16)8-14-15(17(23)24-4-2)18-9-22(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,23,12,3,7,6,15,16,9,17,22,11,10,13,24,18,19/rA:24CCCCCCCCCNNCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-UONRYRYMQQXRNL_on_P28472_WT,Low,ChEMBL30,CHEMBL569008,C#Cc1ccc2c(c1)-c1nncn1Cc1c(C(=O)OCC)ncn-21,UONRYRYMQQXRNL,UONRYRYMQQXRNL-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-20-19-10-21(16)8-14-15(17(23)24-4-2)18-9-22(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,23,12,3,7,6,15,16,9,17,22,11,10,13,24,18,19/rA:24CCCCCCCCCNNCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-UONRYRYMQQXRNL_on_P31644_WT,Low,ChEMBL30,CHEMBL569008,C#Cc1ccc2c(c1)-c1nncn1Cc1c(C(=O)OCC)ncn-21,UONRYRYMQQXRNL,UONRYRYMQQXRNL-UHFFFAOYSA-N,"InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-20-19-10-21(16)8-14-15(17(23)24-4-2)18-9-22(13)14/h1,5-7,9-10H,4,8H2,2H3","""AuxInfo=1/0/N:1,21,2,20,4,5,8,14,23,12,3,7,6,15,16,9,17,22,11,10,13,24,18,19/rA:24CCCCCCCCCNNCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;s17;s19;s20;s16;d22;s6s15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-UOSWBJFZJZMDQY_on_Q14416_WT,Medium,ChEMBL30,CHEMBL503572,CC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1,UOSWBJFZJZMDQY,UOSWBJFZJZMDQY-UHFFFAOYSA-N,"InChI=1S/C17H23NO3/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,7,18,8,17,3,5,2,6,11,9,19,4,20,21,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21CCCNCCCCCOCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s11s15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-UOTHEUCAUHMAHR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3929594,N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)ccc1,UOTHEUCAUHMAHR,UOTHEUCAUHMAHR-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2/c22-13-16-5-4-6-17(11-16)21(26)24-9-10-25-19(14-24)12-18(23-25)15-27-20-7-2-1-3-8-20/h1-8,11-12H,9-10,14-15H2","""AuxInfo=1/0/N:19,18,20,26,27,25,17,21,9,10,4,22,2,24,14,3,5,13,23,16,6,1,12,8,11,7,15/E:(2,3)(7,8)/rA:27NCCCCCONCCNNCCOCCCCCCCCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s11d22;s8s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-UOTRSHLLNCIVCX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112588,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)ccn1,UOTRSHLLNCIVCX,UOTRSHLLNCIVCX-UHFFFAOYSA-N,"InChI=1S/C25H28FN3O2/c1-16-12-19(8-10-27-16)24-22-9-11-30-17(2)14-29(22)25(28-24)20-6-7-21(26)23(13-20)31-15-18-4-3-5-18/h6-8,10,12-13,17-18H,3-5,9,11,14-15H2,1-2H3","""AuxInfo=1/0/N:1,11,25,24,26,16,17,29,7,30,8,3,27,12,22,2,10,23,4,15,18,6,20,5,14,19,31,28,13,9,21/E:(4,5)/rA:31CCCCCCCCOCCCNCCCCCFCOCCCCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s24;s23s25;s15d20;s5d14;d4;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-UOUAHARLYWMUJP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL2338599;71718341;CHEMBL2338599,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccncc1,UOUAHARLYWMUJP,UOUAHARLYWMUJP-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-15-4-1-3-14(11-15)19(25)23-17-6-2-5-16(12-17)22-18(24)13-7-9-21-10-8-13/h1,3-4,7-11,16-17H,2,5-6,12H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:17,6,18,16,5,7,21,25,22,24,13,19,20,12,14,4,8,2,10,15,23,3,9,1,11/E:(7,8)(9,10)/rA:25OCNCCCCCNCOCCCClCCCCCCCNCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;PubChemAID:729738;CHEMBL2343303,PMID:23357634,2013.0,PMID:23357634;PubChemAID:729738;PMID:23357634,2013,1;0;0,0,0,0;0;1,0;1;0,,=,  6.520;  6.523;  6.350,6.4639999999999995,0.081,0.057,3.0,6.52,0.003
-UOUKYVXLCNTITF_on_P31644_WT,High,ChEMBL30,CHEMBL3681565,Cc1c(COc2ccc(C(=O)NCC(C)(C)CO)cn2)c(-c2ccc(F)c(F)c2)no1,UOUKYVXLCNTITF,UOUKYVXLCNTITF-UHFFFAOYSA-N,"InChI=1S/C22H23F2N3O4/c1-13-16(20(27-31-13)14-4-6-17(23)18(24)8-14)10-30-19-7-5-15(9-25-19)21(29)26-11-22(2,3)12-28/h4-9,28H,10-12H2,1-3H3,(H,26,29)","""AuxInfo=1/1/N:1,15,16,23,8,24,7,29,19,4,13,17,2,22,9,3,25,27,6,21,10,14,26,28,20,12,30,18,11,5,31/E:(2,3)/rA:31CCCCOCCCCCONCCCCCOCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s27;s22d27;d21;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-UOVHUSUBZVIFIM_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647558,CCn1cnc2c1nncc2-c1ccc(O)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1,UOVHUSUBZVIFIM,UOVHUSUBZVIFIM-UHFFFAOYSA-N,"InChI=1S/C22H22N4O4S/c1-4-26-13-23-21-18(12-24-25-22(21)26)14-6-9-19(27)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13,27H,4-5H2,1-3H3","""AuxInfo=1/0/N:1,26,30,2,25,13,20,19,14,31,27,10,4,12,21,18,17,11,15,28,6,7,5,9,8,3,16,23,24,29,22/E:(28,29)/CRV:31.6/rA:31CCNCNCCNNCCCCCCOCCCCCSOOCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s28;s29;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-UOVSWXXYJMEQAH_on_P41594_WT,Low,ChEMBL30,CHEMBL204116,Cn1ccnc1NC(=O)Nc1cccc(Cl)c1,UOVSWXXYJMEQAH,UOVSWXXYJMEQAH-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O/c1-16-6-5-13-10(16)15-11(17)14-9-4-2-3-8(12)7-9/h2-7H,1H3,(H2,13,14,15,17)","""AuxInfo=1/1/N:1,13,14,12,4,3,17,15,11,6,8,16,5,10,7,2,9/rA:17CNCCNCNCONCCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UOWQRZUQLCFLQH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109916,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)cc(C)n1,UOWQRZUQLCFLQH,UOWQRZUQLCFLQH-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O/c1-12-8-16(9-13(2)27-12)20-19-6-7-30-14(3)11-29(19)21(28-20)15-4-5-18(23)17(10-15)22(24,25)26/h4-5,8-10,14H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,20,18,6,5,14,21,19,22,23,24,30,26,13,9/E:(1,2)(8,9)(12,13)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCFCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s21;s21;s15d20;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-UOXLZWIVCQPQKL_on_P41594_WT,Low,ChEMBL30,CHEMBL3633958,O=C(c1ccco1)N1CCCn2nc(COc3ccccc3)cc12,UOXLZWIVCQPQKL,UOXLZWIVCQPQKL-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c22-18(16-8-4-11-23-16)20-9-5-10-21-17(20)12-14(19-21)13-24-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13H2","""AuxInfo=1/0/N:20,19,21,5,10,18,22,4,9,11,6,23,15,14,17,3,24,2,13,8,12,1,7,16/E:(2,3)(6,7)/rA:24OCCCCCONCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s8s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-UOYBEURVYWDNBS_on_P14867_WT,Low,ChEMBL30,CHEMBL197883,CCNc1cc(-c2cc(Br)ccc2)cnn1,UOYBEURVYWDNBS,UOYBEURVYWDNBS-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)","""AuxInfo=1/1/N:1,2,12,13,11,8,5,14,7,6,9,4,10,3,15,16/rA:16CCNCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-UOYBEURVYWDNBS_on_P18507_WT,Low,ChEMBL30,CHEMBL197883,CCNc1cc(-c2cc(Br)ccc2)cnn1,UOYBEURVYWDNBS,UOYBEURVYWDNBS-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)","""AuxInfo=1/1/N:1,2,12,13,11,8,5,14,7,6,9,4,10,3,15,16/rA:16CCNCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882866;CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.460;  8.140;  8.420,8.34,0.142,0.10099999999999999,3.0,8.42,0.04
-UOYBEURVYWDNBS_on_P28472_WT,Low,ChEMBL30,CHEMBL197883,CCNc1cc(-c2cc(Br)ccc2)cnn1,UOYBEURVYWDNBS,UOYBEURVYWDNBS-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)","""AuxInfo=1/1/N:1,2,12,13,11,8,5,14,7,6,9,4,10,3,15,16/rA:16CCNCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.460;  8.420;  8.140,8.34,0.142,0.10099999999999999,3.0,8.42,0.04
-UOYBEURVYWDNBS_on_P31644_WT,Low,ChEMBL30,CHEMBL197883,CCNc1cc(-c2cc(Br)ccc2)cnn1,UOYBEURVYWDNBS,UOYBEURVYWDNBS-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)","""AuxInfo=1/1/N:1,2,12,13,11,8,5,14,7,6,9,4,10,3,15,16/rA:16CCNCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-UOYBEURVYWDNBS_on_P34903_WT,Low,ChEMBL30,CHEMBL197883,CCNc1cc(-c2cc(Br)ccc2)cnn1,UOYBEURVYWDNBS,UOYBEURVYWDNBS-UHFFFAOYSA-N,"InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)","""AuxInfo=1/1/N:1,2,12,13,11,8,5,14,7,6,9,4,10,3,15,16/rA:16CCNCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-UOYREAVBKXAAFN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937757,CC1(C)COCCN1C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1,UOYREAVBKXAAFN,UOYREAVBKXAAFN-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O2/c1-19(2)13-25-9-8-23(19)18(24)17-21-11-15(12-22-17)7-6-14-4-3-5-16(20)10-14/h3-5,10-12H,8-9,13H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,16,15,7,6,23,13,24,4,17,14,21,11,9,2,22,12,25,8,10,5/E:(1,2)(11,12)(21,22)/rA:25CCCCOCCNCOCNCCCCCCCCCClCCN/rB:s1;s2;s2;s4;s5;s6;s2s7;s8;d9;s9;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887807,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-UOZUJQGSHJMDSB_on_O15399_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_O60391_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_Q05586_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_Q12879_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_Q13224_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UOZUJQGSHJMDSB_on_Q14957_WT,Low,ChEMBL30,CHEMBL276708,O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1,UOZUJQGSHJMDSB,UOZUJQGSHJMDSB-UHFFFAOYSA-N,"InChI=1S/C9H9N2O5P/c12-8-9(13)11-7-5(4-17(14,15)16)2-1-3-6(7)10-8/h1-3H,4H2,(H,10,12)(H,11,13)(H2,14,15,16)","""AuxInfo=1/1/N:16,17,15,5,6,14,7,11,9,13,8,12,10,1,3,4,2/E:(14,15,16)/rA:17OPOOCCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;d6;s7;d8;s9;s9;s11;d11;s7s13;d14;s15;s6d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747276,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-UPANNIALYTYSSG_on_Q13255_WT,High,ChEMBL30,CHEMBL3758587,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2c1,UPANNIALYTYSSG,UPANNIALYTYSSG-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O4/c1-10-3-5-13-14(7-10)20(27)24(19(13)26)16-6-4-12(8-15(16)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,20,2,17,12,5,27,23,9,16,14,6,25,24,21,13,8,15,7,26,19/rA:28CCCCCCONCCCCNCOCCCOCNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;s19;s16d20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.380;  7.390,7.385,0.005,0.005,2.0,7.385,0.005
-UPANNIALYTYSSG_on_Q14833_WT,High,ChEMBL30,CHEMBL3758587,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2c1,UPANNIALYTYSSG,UPANNIALYTYSSG-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O4/c1-10-3-5-13-14(7-10)20(27)24(19(13)26)16-6-4-12(8-15(16)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,20,2,17,12,5,27,23,9,16,14,6,25,24,21,13,8,15,7,26,19/rA:28CCCCCCONCCCCNCOCCCOCNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;s19;s16d20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-UPBDZILZTPVMPX_on_O15399_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_O60391_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_Q05586_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_Q12879_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_Q13224_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPBDZILZTPVMPX_on_Q14957_WT,Low,ChEMBL30,CHEMBL356688,CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1,UPBDZILZTPVMPX,UPBDZILZTPVMPX-UHFFFAOYSA-N,"InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3","""AuxInfo=1/0/N:1,18,19,17,20,12,11,4,16,21,3,13,14,6,5,9,7,10,8,2,15/E:(2,3)(4,5)(9,10)/rA:21CNCCCCCClCClCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;s13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763613,PMID:1310114,1992.0,PMID:1310114,1992,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UPDNOLJVPHHECL_on_P41594_WT,High,ChEMBL30,CHEMBL3603915,N#Cc1cc(Cl)c(F)c(-c2cc(-n3cccn3)ncn2)c1,UPDNOLJVPHHECL,UPDNOLJVPHHECL-UHFFFAOYSA-N,"InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H","""AuxInfo=1/0/N:15,16,14,21,4,11,2,19,3,9,5,10,12,7,6,8,1,20,18,17,13/rA:21NCCCCClCFCCCCNCCCNNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s7;s9;d10;s11;s12;s13;d14;s15;s13d16;d12;s18;s10d19;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566;CHEMBL3606567,PMID:26225459,2015.0,PMID:26225459,2015,0;1,0,0,1;0,0,,=,  9.300;  8.600,8.95,0.35,0.35,2.0,8.95,0.35
-UPFHEVQMWVMOST_on_O15399_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_O60391_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_Q05586_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_Q12879_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_Q13224_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPFHEVQMWVMOST_on_Q14957_WT,Low,ChEMBL30,CHEMBL55970,N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2,UPFHEVQMWVMOST,UPFHEVQMWVMOST-UHFFFAOYSA-N,"InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)","""AuxInfo=1/1/N:8,9,7,10,15,17,19,21,13,20,16,14,18,5,4,2,12,6,1,3,11/E:(5,6,7)(8,9,10)(11,12,13)/rA:21NCNCCICCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPHLMRJPWCHFCX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936936,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(F)c3)n2)ccn1,UPHLMRJPWCHFCX,UPHLMRJPWCHFCX-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3O2/c1-12-10-13(4-6-24-12)18-16-5-8-27-9-7-26(16)19(25-18)14-2-3-17(15(21)11-14)28-20(22)23/h2-4,6,10-11,20H,5,7-9H2,1H3","""AuxInfo=1/0/N:1,15,16,26,7,27,11,8,10,3,24,2,4,14,22,6,17,5,13,19,23,20,21,28,25,12,9,18/E:(22,23)/rA:28CCCCCCCCOCCNCCCCCOCFFCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s19;s17;s22;s14d22;s5d13;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-UPHRVLGBWYCCHQ_on_P41594_WT,High,ChEMBL30,CHEMBL3633951,O=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc12,UPHRVLGBWYCCHQ,UPHRVLGBWYCCHQ-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c24-20(16-8-3-1-4-9-16)22-12-7-13-23-19(22)14-17(21-23)15-25-18-10-5-2-6-11-18/h1-6,8-11,14H,7,12-13,15H2","""AuxInfo=1/0/N:6,21,5,7,20,22,11,4,8,19,23,10,12,24,16,3,15,18,25,2,14,9,13,1,17/E:(3,4)(5,6)(8,9)(10,11)/rA:25OCCCCCCCNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s9s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.210;  6.210,6.21,0.0,0.0,2.0,6.21,0.0
-UPJQLLBDSATFCN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112623,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)ccn1,UPJQLLBDSATFCN,UPJQLLBDSATFCN-UHFFFAOYSA-N,"InChI=1S/C23H24ClN3O2/c1-14-11-16(7-9-25-14)22-20-8-10-28-15(2)13-27(20)23(26-22)17-3-6-21(19(24)12-17)29-18-4-5-18/h3,6-7,9,11-12,15,18H,4-5,8,10,13H2,1-2H3","""AuxInfo=1/0/N:1,11,16,21,22,17,27,7,28,8,3,25,12,2,10,4,15,20,23,6,18,5,14,24,29,26,13,9,19/E:(4,5)/rA:29CCCCCCCCOCCCNCCCCCOCCCCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-UPMDLTAPSSWEPU_on_P14867_WT,Low,ChEMBL30,CHEMBL382173,CC(C)(O)c1nc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,UPMDLTAPSSWEPU,UPMDLTAPSSWEPU-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,20,9,11,19,14,13,22,10,5,7,2,23,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864376,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-UPMDLTAPSSWEPU_on_P18507_WT,Low,ChEMBL30,CHEMBL382173,CC(C)(O)c1nc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,UPMDLTAPSSWEPU,UPMDLTAPSSWEPU-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,20,9,11,19,14,13,22,10,5,7,2,23,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL862582;CHEMBL864376,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.330;  9.150,9.24,0.09,0.09,2.0,9.24,0.09
-UPMDLTAPSSWEPU_on_P28472_WT,Low,ChEMBL30,CHEMBL382173,CC(C)(O)c1nc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,UPMDLTAPSSWEPU,UPMDLTAPSSWEPU-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,20,9,11,19,14,13,22,10,5,7,2,23,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864376;CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.150;  9.330,9.24,0.09,0.09,2.0,9.24,0.09
-UPMDLTAPSSWEPU_on_P34903_WT,Low,ChEMBL30,CHEMBL382173,CC(C)(O)c1nc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1,UPMDLTAPSSWEPU,UPMDLTAPSSWEPU-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,25,24,28,27,12,20,9,11,19,14,13,22,10,5,7,2,23,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCCCCCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL862582,PMID:16386901,2006.0,PMID:16386901,2006,0,0,0,1,0,,=,  9.330,9.33,0.0,0.0,1.0,9.33,0.0
-UPPLJERIZONGME_on_P14867_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPPLJERIZONGME_on_P18507_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273615;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.900;  7.380;  8.520;  7.610,7.603,0.588,0.34,4.0,7.495,0.355
-UPPLJERIZONGME_on_P28472_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273619;CHEMBL1273617;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.520;  6.900;  7.380;  7.610,7.603,0.588,0.34,4.0,7.495,0.355
-UPPLJERIZONGME_on_P31644_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-UPPLJERIZONGME_on_P34903_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-UPPLJERIZONGME_on_P47869_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-UPPLJERIZONGME_on_P48169_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-UPPLJERIZONGME_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270637,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1,UPPLJERIZONGME,UPPLJERIZONGME-UHFFFAOYSA-N,"InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2","""AuxInfo=1/0/N:17,18,16,19,21,11,4,15,20,14,9,12,2,5,6,7,8,10,13,1,3/E:(15,16,17)/rA:21OCOCCFFFCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-UPQHIBNVSRBIKE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3942548,Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1cc(C(F)(F)F)ccn1,UPQHIBNVSRBIKE,UPQHIBNVSRBIKE-UHFFFAOYSA-N,"InChI=1S/C18H11F4N5O/c19-12-9-11(25-17-16-13(26-27-17)2-1-6-24-16)3-4-14(12)28-15-8-10(5-7-23-15)18(20,21)22/h1-9H,(H2,25,26,27)","""AuxInfo=1/1/N:10,11,15,16,26,9,27,20,3,21,4,2,12,17,19,7,6,22,1,23,24,25,28,8,5,13,14,18/E:(20,21,22)/rA:28FCCCNCCNCCCCNNCCCOCCCCFFFCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;s21;s22;s22;s22;d21;s26;s19d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-UPSXYNJDCKOCFD_on_Q14416_WT,Low,ChEMBL30,CHEMBL1189257,CC(N)C(=O)NC1(C(=O)O)CCC2C(C(=O)O)C21,UPSXYNJDCKOCFD,UPSXYNJDCKOCFD-UHFFFAOYSA-N,"InChI=1S/C11H16N2O5/c1-4(12)8(14)13-11(10(17)18)3-2-5-6(7(5)11)9(15)16/h4-7H,2-3,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)","""AuxInfo=1/1/N:1,12,11,2,13,14,18,4,15,8,7,3,6,5,16,17,9,10/E:(15,16)(17,18)/rA:18CCNCONCCOOCCCCCOOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s15;s7s13s14;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL838847,PMID:16078848,2005.0,PMID:16078848,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPSXYNJDCKOCFD_on_Q14832_WT,Low,ChEMBL30,CHEMBL1189257,CC(N)C(=O)NC1(C(=O)O)CCC2C(C(=O)O)C21,UPSXYNJDCKOCFD,UPSXYNJDCKOCFD-UHFFFAOYSA-N,"InChI=1S/C11H16N2O5/c1-4(12)8(14)13-11(10(17)18)3-2-5-6(7(5)11)9(15)16/h4-7H,2-3,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)","""AuxInfo=1/1/N:1,12,11,2,13,14,18,4,15,8,7,3,6,5,16,17,9,10/E:(15,16)(17,18)/rA:18CCNCONCCOOCCCCCOOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s7;s11;s12;s13;s14;d15;s15;s7s13s14;/rC:;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL838848,PMID:16078848,2005.0,PMID:16078848,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UPULRKLCQHPGKM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922089,CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C)O1,UPULRKLCQHPGKM,UPULRKLCQHPGKM-UHFFFAOYSA-N,"InChI=1S/C23H24FN3O2/c1-14-11-27(12-15(2)29-14)13-16-3-8-19-20(17-4-6-18(24)7-5-17)10-22(23(25)28)26-21(19)9-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,28)","""AuxInfo=1/1/N:1,28,7,12,17,13,16,8,25,18,3,26,5,2,27,6,11,14,9,10,24,19,20,15,21,23,4,22,29/E:(1,2)(4,5)(6,7)(11,12)(14,15)/rA:29CCCNCCCCCCCCCCFCCCCCNONCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;d10;s18;s19;s20;d20;d19;s9s23;s6d24;s4;s26;s27;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-UPUZEZAWKYBLBL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258795,CN(C)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,UPUZEZAWKYBLBL,UPUZEZAWKYBLBL-UHFFFAOYSA-N,"InChI=1S/C18H22F3N5O2S/c1-25(2)7-10-8-26(24-15(10)18(19,20)21)9-13(27)23-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8H,3-7,9H2,1-2H3,(H2,22,28)(H,23,27)","""AuxInfo=1/1/N:1,3,21,20,22,19,4,6,8,5,17,18,9,13,25,14,12,26,27,28,29,15,11,24,2,7,10,16,23/E:(1,2)(19,20,21)/rA:29CNCCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s2;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s7;s5d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-UPVLWBQZHWZOGU_on_Q13255_WT,High,ChEMBL30,CHEMBL3634428,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(C(F)(F)F)c2)occ1,UPVLWBQZHWZOGU,UPVLWBQZHWZOGU-UHFFFAOYSA-N,"InChI=1S/C21H12ClF3N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,22,20,8,9,31,30,28,2,7,14,23,18,10,15,3,4,12,16,24,19,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCClCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  6.980;  6.970,6.975,0.005,0.005,2.0,6.975,0.005
-UPVLWBQZHWZOGU_on_Q14833_WT,High,ChEMBL30,CHEMBL3634428,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(C(F)(F)F)c2)occ1,UPVLWBQZHWZOGU,UPVLWBQZHWZOGU-UHFFFAOYSA-N,"InChI=1S/C21H12ClF3N2O4/c1-10-7-8-31-17(10)18(28)26-11-5-6-15(13(9-11)21(23,24)25)27-19(29)12-3-2-4-14(22)16(12)20(27)30/h2-9H,1H3,(H,26,28)","""AuxInfo=1/1/N:1,21,22,20,8,9,31,30,28,2,7,14,23,18,10,15,3,4,12,16,24,19,25,26,27,6,11,5,13,17,29/E:(23,24,25)/rA:31CCCCONCCCCNCOCCCOCClCCCCCFFFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s24;s24;s24;s7d23;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  5.610,5.61,0.0,0.0,1.0,5.61,0.0
-UPWCCXZYHXYHRR_on_O15399_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_O60391_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_Q05586_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_Q12879_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_Q13224_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWCCXZYHXYHRR_on_Q14957_WT,Low,ChEMBL30,CHEMBL166935,CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1,UPWCCXZYHXYHRR,UPWCCXZYHXYHRR-UHFFFAOYSA-N,"InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)","""AuxInfo=1/1/N:1,2,16,15,17,14,11,10,4,7,18,12,13,5,3,8,6,19,9/rA:19CCCCCNCCNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s9s13;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UPWDXNIJQRMIJY_on_P14867_WT,Medium,ChEMBL30,CHEMBL147590,O=C(c1cc(F)c(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UPWDXNIJQRMIJY,UPWDXNIJQRMIJY-UHFFFAOYSA-N,"InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)","""AuxInfo=1/1/N:25,24,26,23,10,9,13,12,4,16,27,3,20,15,21,7,5,14,19,17,2,29,22,8,6,18,31,11,28,1,30/rA:31OCCCCFCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s7;s3d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-UPWDXNIJQRMIJY_on_P31644_WT,Medium,ChEMBL30,CHEMBL147590,O=C(c1cc(F)c(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UPWDXNIJQRMIJY,UPWDXNIJQRMIJY-UHFFFAOYSA-N,"InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)","""AuxInfo=1/1/N:25,24,26,23,10,9,13,12,4,16,27,3,20,15,21,7,5,14,19,17,2,29,22,8,6,18,31,11,28,1,30/rA:31OCCCCFCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s7;s3d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UPWDXNIJQRMIJY_on_P34903_WT,Medium,ChEMBL30,CHEMBL147590,O=C(c1cc(F)c(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UPWDXNIJQRMIJY,UPWDXNIJQRMIJY-UHFFFAOYSA-N,"InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)","""AuxInfo=1/1/N:25,24,26,23,10,9,13,12,4,16,27,3,20,15,21,7,5,14,19,17,2,29,22,8,6,18,31,11,28,1,30/rA:31OCCCCFCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s7;s3d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-UPWDXNIJQRMIJY_on_P47869_WT,Medium,ChEMBL30,CHEMBL147590,O=C(c1cc(F)c(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,UPWDXNIJQRMIJY,UPWDXNIJQRMIJY-UHFFFAOYSA-N,"InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)","""AuxInfo=1/1/N:25,24,26,23,10,9,13,12,4,16,27,3,20,15,21,7,5,14,19,17,2,29,22,8,6,18,31,11,28,1,30/rA:31OCCCCFCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;s5;d5;s7;s7;s3d9;s2;s11;s12;s13;d14;s11s15;s15;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s17s27;s28;s29;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-UPXSOIKTRIGNGR_on_P14867_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-UPXSOIKTRIGNGR_on_P18507_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.340;  6.580;  6.120;  7.000,6.51,0.326,0.188,4.0,6.46,0.23
-UPXSOIKTRIGNGR_on_P28472_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000;  6.340;  6.120;  6.580,6.51,0.326,0.188,4.0,6.46,0.23
-UPXSOIKTRIGNGR_on_P31644_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-UPXSOIKTRIGNGR_on_P34903_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-UPXSOIKTRIGNGR_on_P47869_WT,Low,ChEMBL30,CHEMBL180215,CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1,UPXSOIKTRIGNGR,UPXSOIKTRIGNGR-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-28-13-5-6-16(14-28)15-30-24-21-18-11-9-17(10-12-18)20(21)23-26-25-22(29(23)27-24)19-7-3-2-4-8-19/h2-4,7-8,16-18H,5-6,9-15H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,14,18,26,28,25,29,3,30,7,6,27,24,13,22,23,12,21,9,19,20,10,2,11,8/E:(3,4)(7,8)(9,10)(11,12)/rA:30CNCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-UPZWINBEAHDTLA_on_O00591_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_O14764_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P14867_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P18505_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P18507_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P28472_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P31644_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P34903_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P41594_WT,High,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  8.150;  7.440,7.795,0.355,0.355,2.0,7.795,0.355
-UPZWINBEAHDTLA_on_P47869_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P47870_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P48169_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_P78334_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_Q16445_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UPZWINBEAHDTLA_on_Q99928_WT,Low,ChEMBL30,CHEMBL3301626,Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,UPZWINBEAHDTLA,UPZWINBEAHDTLA-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3","""AuxInfo=1/0/N:15,1,6,19,22,18,23,5,13,12,8,14,2,7,20,17,4,9,10,21,11,3,16/E:(4,5)(6,7)/rA:23CCNCCCCCCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2s14;s16;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-UQCVDDWVSFSTNQ_on_P41594_WT,High,ChEMBL30,CHEMBL3664796,Cc1c(F)sc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1,UQCVDDWVSFSTNQ,UQCVDDWVSFSTNQ-UHFFFAOYSA-N,"InChI=1S/C14H10FN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,20,21,11,15,19,17,2,12,14,10,3,8,6,4,16,18,22,23,7,9,13,5/E:(5,6)(16,17)/rA:23CCCFSCNCOCCCOCCNCNCCCNN/rB:s1;d2;s3;s3;s5;s6;s7;d8;s8;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d12;s20;s10d21;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-UQDADRXMEZPYID_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912111,CCc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1,UQDADRXMEZPYID,UQDADRXMEZPYID-UHFFFAOYSA-N,"InChI=1S/C21H21F3N4O2S/c1-2-19-26-9-17(31-19)14-8-16(20(25)29)27-15-7-12(3-4-13(14)15)10-28-5-6-30-18(11-28)21(22,23)24/h3-4,7-9,18H,2,5-6,10-11H2,1H3,(H2,25,29)","""AuxInfo=1/1/N:1,2,17,16,21,22,30,8,5,19,29,18,15,7,14,9,6,24,3,10,25,26,27,28,11,4,13,20,12,23,31/E:(22,23,24)/rA:31CCCNCCCCCCNONCCCCCCNCCOCCFFFCCS/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;s14d18;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-UQFURWWVDJVTGD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104541,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(Cc2ccccc2)cc1,UQFURWWVDJVTGD,UQFURWWVDJVTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c1-2-26(24,25)23(17-20-9-6-14-22-16-20)21-12-10-19(11-13-21)15-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,12,20,24,13,16,25,15,26,11,18,9,7,19,17,8,14,10,6,4,5,3/E:(4,5)(7,8)(10,11)(12,13)(24,25)/CRV:26.6/rA:26CCSOONCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s17;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-UQGBBQTUUWZZFY_on_P41594_WT,Medium,ChEMBL30,CHEMBL65886,C(#Cc1nccs1)c1ccccc1,UQGBBQTUUWZZFY,UQGBBQTUUWZZFY-UHFFFAOYSA-N,"InChI=1S/C11H7NS/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,8-9H","""AuxInfo=1/0/N:11,10,12,9,13,1,2,5,6,8,3,4,7/E:(2,3)(4,5)/rA:13CCCNCCSCCCCCC/rB:t1;s2;d3;s4;d5;s3s6;s1;d8;s9;d10;s11;s8d12;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711709,PMID:12519057,2003.0,PMID:12519057,2003,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-UQHRWUGOFGOOMR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL214823;11218324,Cc1nc(C#CCNc2ccccc2)ccc1,UQHRWUGOFGOOMR,UQHRWUGOFGOOMR-UHFFFAOYSA-N,"InChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3","""AuxInfo=1/0/N:1,12,11,13,16,6,17,10,14,15,5,7,2,9,4,8,3/E:(3,4)(8,9)/rA:17CCNCCCCNCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s9d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303;PubChemAID:270780,PMID:16837196,2006.0,PMID:16837196;PubChemAID:270780,2006;2010,1;0,0,0,0,0;1,,=,  6.650;  6.652,6.651,0.001,0.001,2.0,6.651,0.001
-UQILZUNDEHUPRM_on_Q05586_WT,Low,ChEMBL30,CHEMBL401806,C=C(CN1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1,UQILZUNDEHUPRM,UQILZUNDEHUPRM-UHFFFAOYSA-N,"InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3","""AuxInfo=1/0/N:1,24,12,11,13,10,14,20,26,21,25,6,15,5,16,8,3,2,9,7,19,22,17,4,18,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26CCCNCCCCCCCCCCCCCOCCCCOCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;d17;s17;d19;s20;d21;s22;s23;s22;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL933581,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  4.160,4.16,0.0,0.0,1.0,4.16,0.0
-UQILZUNDEHUPRM_on_Q12879_WT,Low,ChEMBL30,CHEMBL401806,C=C(CN1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1,UQILZUNDEHUPRM,UQILZUNDEHUPRM-UHFFFAOYSA-N,"InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3","""AuxInfo=1/0/N:1,24,12,11,13,10,14,20,26,21,25,6,15,5,16,8,3,2,9,7,19,22,17,4,18,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26CCCNCCCCCCCCCCCCCOCCCCOCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;d17;s17;d19;s20;d21;s22;s23;s22;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL933583,PMID:18434149,2008.0,PMID:18434149,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQILZUNDEHUPRM_on_Q13224_WT,Low,ChEMBL30,CHEMBL401806,C=C(CN1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1,UQILZUNDEHUPRM,UQILZUNDEHUPRM-UHFFFAOYSA-N,"InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3","""AuxInfo=1/0/N:1,24,12,11,13,10,14,20,26,21,25,6,15,5,16,8,3,2,9,7,19,22,17,4,18,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26CCCNCCCCCCCCCCCCCOCCCCOCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;d17;s17;d19;s20;d21;s22;s23;s22;s19d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL933581,PMID:18434149,2008.0,PMID:18434149,2008,1,0,0,0,0,,=,  4.160,4.16,0.0,0.0,1.0,4.16,0.0
-UQKMOMDFIHGQGP_on_O15399_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_O60391_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_Q05586_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_Q12879_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_Q13224_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKMOMDFIHGQGP_on_Q14957_WT,Low,ChEMBL30,CHEMBL288855,O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O,UQKMOMDFIHGQGP,UQKMOMDFIHGQGP-UHFFFAOYSA-N,"InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:8,9,7,15,11,13,3,16,4,10,12,14,6,2,17,5,1/rA:17ONCCONCCCClCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s13;s7s13;s3d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-UQKOMQWXYNDRGB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113300,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)ccn1,UQKOMQWXYNDRGB,UQKOMQWXYNDRGB-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O2/c1-12-9-14(5-7-26-12)19-17-6-8-29-13(2)11-28(17)20(27-19)15-3-4-18(16(22)10-15)30-21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,28,7,29,8,3,26,12,2,10,4,15,24,6,18,5,14,20,25,21,22,23,30,27,13,9,19/E:(23,24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFFCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s15d24;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-UQLQUSZPLYNDEH_on_P41594_WT,Low,ChEMBL30,CHEMBL202619,Cc1nc(C#Cc2cnc3ccccc3c2)cs1,UQLQUSZPLYNDEH,UQLQUSZPLYNDEH-UHFFFAOYSA-N,"InChI=1S/C15H10N2S/c1-11-17-14(10-18-11)7-6-12-8-13-4-2-3-5-15(13)16-9-12/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,13,12,14,11,6,5,16,8,17,2,7,15,4,10,9,3,18/rA:18CCNCCCCCNCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s10s14;s7d15;d4;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UQNAFPHGVPVTAL_on_O15303_WT,High,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-UQNAFPHGVPVTAL_on_O15399_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_O60391_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_Q05586_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_Q12879_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_Q13224_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNAFPHGVPVTAL_on_Q14957_WT,Low,ChEMBL30,CHEMBL222519,NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1,UQNAFPHGVPVTAL,UQNAFPHGVPVTAL-UHFFFAOYSA-N,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)","""AuxInfo=1/1/N:22,21,23,11,20,12,7,5,6,13,17,15,1,19,14,8,18,16,9,10,3,4,2/E:(19,20)(21,22)/CRV:16.5,23.6/rA:23NSOOCCCN+OO-CCCNCOCONCCCC/rB:s1;d2;d2;s2;d5;s6;s7;d8;s8;d7;s11;d12;s13;d14;s15;s15;s17;s12d17;s6s13;d20;s21;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UQNIKTWWOSENPX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289173,OC1CN(Cc2ccc(N3CCCCC3)cc2)CCc2c1ccc(OCc1ccccc1)c2,UQNIKTWWOSENPX,UQNIKTWWOSENPX-UHFFFAOYSA-N,"InChI=1S/C29H34N2O2/c32-29-21-30(20-23-9-11-26(12-10-23)31-16-5-2-6-17-31)18-15-25-19-27(13-14-28(25)29)33-22-24-7-3-1-4-8-24/h1,3-4,7-14,19,29,32H,2,5-6,15-18,20-22H2","""AuxInfo=1/0/N:30,13,29,31,12,14,28,32,7,17,8,16,23,22,19,11,15,18,33,5,3,26,6,27,20,9,24,21,2,4,10,1,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)/rA:33OCCNCCCCCNCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s10s14;s9;s6d16;s4;s18;s19;s2d20;s21;d22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-UQNIKTWWOSENPX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289173,OC1CN(Cc2ccc(N3CCCCC3)cc2)CCc2c1ccc(OCc1ccccc1)c2,UQNIKTWWOSENPX,UQNIKTWWOSENPX-UHFFFAOYSA-N,"InChI=1S/C29H34N2O2/c32-29-21-30(20-23-9-11-26(12-10-23)31-16-5-2-6-17-31)18-15-25-19-27(13-14-28(25)29)33-22-24-7-3-1-4-8-24/h1,3-4,7-14,19,29,32H,2,5-6,15-18,20-22H2","""AuxInfo=1/0/N:30,13,29,31,12,14,28,32,7,17,8,16,23,22,19,11,15,18,33,5,3,26,6,27,20,9,24,21,2,4,10,1,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)/rA:33OCCNCCCCCNCCCCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s10s14;s9;s6d16;s4;s18;s19;s2d20;s21;d22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-UQTVAGCWRJSYCG_on_P41594_WT,High,ChEMBL30,CHEMBL3955421,CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1nn(-c2cc(Cl)ccc2)nn1,UQTVAGCWRJSYCG,UQTVAGCWRJSYCG-UHFFFAOYSA-N,"InChI=1S/C16H14ClN9O2/c1-9(14-20-24-26(23-14)12-5-3-4-11(17)7-12)28-16-22-21-15(25(16)2)10-6-13(27)19-18-8-10/h3-9H,1-2H3,(H,19,27)","""AuxInfo=1/1/N:1,16,25,24,26,14,21,9,2,8,22,20,12,17,7,4,23,10,11,28,6,5,18,27,15,19,13,3/rA:28CCOCNNCCCNNCOCNCCNNCCCClCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;s19;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-UQUHPRWAZACJMV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408577;57388981,CCC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2,UQUHPRWAZACJMV,UQUHPRWAZACJMV-UHFFFAOYSA-N,"InChI=1S/C16H16ClN3O/c1-2-10-7-14-13(15(21)8-10)9-18-16(20-14)19-12-5-3-11(17)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,2,15,18,14,19,9,4,21,3,16,13,7,8,5,11,17,20,12,10,6/E:(3,4)(5,6)/rA:21CCCCCOCCCNCNCCCCClCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s3s8;s8;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;s11;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  5.950;  5.951,5.95,0.0,0.0,2.0,5.95,0.0
-UQVYMHBNVXRQRW_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11271167;CHEMBL185994,CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,UQVYMHBNVXRQRW,UQVYMHBNVXRQRW-UHFFFAOYSA-N,"InChI=1S/C27H35N5O2/c1-5-8-23-22-15-16-32(19-27(2,3)4)24(22)13-14-25(23)34-18-7-6-17-33-21-11-9-20(10-12-21)26-28-30-31-29-26/h9-16H,5-8,17-19H2,1-4H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,6,7,22,19,9,27,24,5,4,14,17,28,10,29,32,30,31,8,23,18/E:(2,3,4)(9,10)(11,12)(28,29)(30,31)/rA:34CCCCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:16005222,2005.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  6.253;  6.250,6.252000000000001,0.002,0.002,2.0,6.252000000000001,0.002
-UQXPONWWSBAXMI_on_P14867_WT,High,ChEMBL30,CHEMBL3586473,COc1cccc(F)c1C1=NCc2c(nc(Nc3ccc(C(=O)O)cc3)nc2)-c2c1cc(Cl)cc2,UQXPONWWSBAXMI,UQXPONWWSBAXMI-UHFFFAOYSA-N,"InChI=1S/C26H18ClFN4O3/c1-35-21-4-2-3-20(28)22(21)24-19-11-16(27)7-10-18(19)23-15(12-29-24)13-30-26(32-23)31-17-8-5-14(6-9-17)25(33)34/h2-11,13H,12H2,1H3,(H,33,34)(H,30,31,32)","""AuxInfo=1/1/N:1,5,6,4,20,25,34,19,26,35,31,12,28,21,13,32,18,29,30,7,3,9,14,10,22,16,33,8,11,27,17,15,23,24,2/E:(5,6)(8,9)(33,34)/rA:35COCCCCCFCCNCCCNCNCCCCCOOCCNCCCCCClCC/rB:s1;s2;d3;s4;d5;s6;s7;s3d7;s9;w?10;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s16;s13d27;s14;s10d29;s30;d31;s32;s32;s29d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3586973,PMID:26101564,2015.0,PMID:26101564,2015,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-URBDXYIYBBMUSZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110033,COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1OC(F)F,URBDXYIYBBMUSZ,URBDXYIYBBMUSZ-UHFFFAOYSA-N,"InChI=1S/C23H22F5N3O3/c1-12-7-14(8-16(29-12)21(25)26)20-17-5-6-33-15(10-24)11-31(17)22(30-20)13-3-4-18(34-23(27)28)19(9-13)32-2/h3-4,7-9,15,21,23H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:12,1,28,29,20,21,10,18,4,24,26,11,5,9,23,14,19,30,3,8,15,6,32,25,16,17,33,34,13,7,27,2,22,31/E:(25,26)(27,28)/rA:34COCCCCNCCCCCNCCFFCCCCOCCFCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s15;s9d14;d8;s19;s20;s21;s22;s23;s24;s23;s6s19s26;d5;s28;s3d29;s30;s31;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-UREGXXRMIPYPFN_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361570;11656255,CCCCC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,UREGXXRMIPYPFN,UREGXXRMIPYPFN-UHFFFAOYSA-N,"InChI=1S/C26H28Cl2N4O2/c1-2-3-12-26(19-6-4-5-7-19)14-18-13-20(22(27)23(28)21(18)24(26)33)34-15-16-8-10-17(11-9-16)25-29-31-32-30-25/h8-11,13,19H,2-7,12,14-15H2,1H3,(H,29,30,31,32)","""AuxInfo=1/1/N:1,2,3,8,9,7,10,24,33,25,32,4,34,11,22,23,26,12,6,20,13,18,16,14,27,5,19,17,28,31,29,30,15,21/E:(4,5)(6,7)(8,9)(10,11)(29,30)(31,32)/rA:34CCCCCCCCCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s6s9;s5;s11;d12;s5s13;d14;s13;s16;d16;s18;s18;s20;s21;s22;d23;s24;d25;s26;d27;s28;s29;s27d30;s26;s23d32;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  5.960;  5.963,5.962000000000001,0.002,0.002,2.0,5.962000000000001,0.002
-URHIENDQMYJNAW_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109392;CHEMBL374865,O=C(OCc1cc(F)ccc1)N1CCC(CNc2ncccn2)CC1,URHIENDQMYJNAW,URHIENDQMYJNAW-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c19-16-4-1-3-15(11-16)13-25-18(24)23-9-5-14(6-10-23)12-22-17-20-7-2-8-21-17/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,20,21,22)","""AuxInfo=1/1/N:10,21,11,9,14,24,20,22,13,25,6,16,4,15,5,7,18,2,8,19,23,17,12,1,3/E:(5,6)(7,8)(9,10)(20,21)/rA:25OCOCCCCFCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  6.824;  6.820,6.822,0.002,0.002,2.0,6.822,0.002
-URIJSKQEDHOILM_on_O15399_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_O60391_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_Q05586_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_Q12879_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_Q13224_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URIJSKQEDHOILM_on_Q14957_WT,Low,ChEMBL30,CHEMBL81824,Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1,URIJSKQEDHOILM,URIJSKQEDHOILM-UHFFFAOYSA-N,"InChI=1S/C15H16N4O2/c1-10-5-3-4-6-13(10)17-15(16)18-14-8-7-12(19(20)21)9-11(14)2/h3-9H,1-2H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,10,20,19,21,18,16,17,11,2,9,12,3,8,5,6,4,7,13,14,15/E:(20,21)/CRV:19.5/rA:21CCCNCNNCCCCCN+OO-CCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;d13;s13;s12;s8d16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-URJRCICJSDOPRN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3786488;CHEMBL3787043;CHEMBL3786488;CHEMBL3787043,Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)C4CCCCC4C3=O)cc2)occ1,URJRCICJSDOPRN,URJRCICJSDOPRN-UHFFFAOYSA-N,"InChI=1S/C20H19ClN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h6-10,13-14H,2-5H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,24,23,27,26,8,2,7,15,20,9,11,3,4,13,21,10,6,12,5,14,22,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCCClCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s12s20;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000;  5.000;  5.000,5.0,0.0,0.0,4.0,5.0,0.0
-URKVDFYYMYUBAI_on_Q14416_WT,High,ChEMBL30,CHEMBL3337500,CC(C)CCn1ccc(N(C)Cc2ccccc2)c(C#N)c1=O,URKVDFYYMYUBAI,URKVDFYYMYUBAI-UHFFFAOYSA-N,"InChI=1S/C19H23N3O/c1-15(2)9-11-22-12-10-18(17(13-20)19(22)23)21(3)14-16-7-5-4-6-8-16/h4-8,10,12,15H,9,11,14H2,1-3H3","""AuxInfo=1/0/N:1,3,11,16,15,17,14,18,4,8,5,7,20,12,2,13,19,9,22,21,10,6,23/E:(1,2)(5,6)(7,8)/rA:23CCCCCNCCCNCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s10;s12;d13;s14;d15;s16;s13d17;d9;s19;t20;s6s19;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-URMNROOZTOLUHQ_on_O00591_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_O14764_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P14867_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P18505_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P18507_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P28472_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P31644_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P34903_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P47869_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P47870_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P48169_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_P78334_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-URMNROOZTOLUHQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL405206,Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1,URMNROOZTOLUHQ,URMNROOZTOLUHQ-UHFFFAOYSA-N,"InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)","""AuxInfo=1/1/N:8,17,7,16,9,18,6,15,4,13,5,14,2,11,3,12,10,1,19/rA:19OCNCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;s5;s6;s7;s4s8;s2s5;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-UROLFLUBHQHCOI_on_P31644_WT,High,ChEMBL30,CHEMBL3681581,Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(Cl)cn2)no1,UROLFLUBHQHCOI,UROLFLUBHQHCOI-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O4/c1-9-12(8-23-14-5-2-10(6-19-14)16(21)22)15(20-24-9)13-4-3-11(17)7-18-13/h2-7H,8H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,8,18,17,7,13,21,4,2,9,19,3,16,6,15,10,20,22,14,23,11,12,5,24/E:(21,22)/rA:24CCCCOCCCCCOOCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s19;s16d21;d15;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-URPILZHDNHGJFA_on_Q14416_WT,High,ChEMBL30,CHEMBL4060567,NC1(C(=O)O)CC(NC(=O)C2CCCCC2)C2C(C(=O)O)C21,URPILZHDNHGJFA,URPILZHDNHGJFA-UHFFFAOYSA-N,"InChI=1S/C15H22N2O5/c16-15(14(21)22)6-8(9-10(11(9)15)13(19)20)17-12(18)7-4-2-1-3-5-7/h7-11H,1-6,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,6,11,7,17,18,22,9,19,3,2,1,8,10,20,21,4,5/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCOOCCNCOCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023222;CHEMBL4023220;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,1;0;0,0;1;0,0,0;0;1,0,,=,  4.920;  5.470;  5.820,5.403,0.37,0.262,3.0,5.47,0.35
-URPILZHDNHGJFA_on_Q14832_WT,High,ChEMBL30,CHEMBL4060567,NC1(C(=O)O)CC(NC(=O)C2CCCCC2)C2C(C(=O)O)C21,URPILZHDNHGJFA,URPILZHDNHGJFA-UHFFFAOYSA-N,"InChI=1S/C15H22N2O5/c16-15(14(21)22)6-8(9-10(11(9)15)13(19)20)17-12(18)7-4-2-1-3-5-7/h7-11H,1-6,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,6,11,7,17,18,22,9,19,3,2,1,8,10,20,21,4,5/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCOOCCNCOCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023226,PMID:29350927,2018.0,PMID:29350927,2018,0;1,0,0,1;0,0,,=,  6.120;  5.000,5.56,0.56,0.56,2.0,5.56,0.56
-URSPQVYFZHQLIN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11418750;CHEMBL397393,COc1cc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3c(cccc3)C2=O)ccc1,URSPQVYFZHQLIN,URSPQVYFZHQLIN-UHFFFAOYSA-N,"InChI=1S/C23H17ClN2O4/c1-30-17-6-4-5-14(12-17)21(27)25-20-10-9-16(24)11-15(20)13-26-22(28)18-7-2-3-8-19(18)23(26)29/h2-12H,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,24,29,28,30,22,25,11,10,14,4,16,5,15,12,3,21,20,9,6,26,18,13,8,17,7,27,19,2/E:(2,3)(7,8)(18,19)(22,23)(28,29)/rA:30COCCCCONCCCCClCCCNCOCCCCCCCOCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s12;s9d14;s15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17s21;d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:305981;CHEMBL903194,PMID:17210250,2007.0,PubChemAID:305981;PMID:17210250,2010;2007,0,0;1,0,0,1;0,,=,  5.824;  5.820,5.822,0.002,0.002,2.0,5.822,0.002
-USDXVADJZXMZPG_on_O15399_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_O60391_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_Q05586_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_Q12879_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_Q13224_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USDXVADJZXMZPG_on_Q14957_WT,Low,ChEMBL30,CHEMBL306899,Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1,USDXVADJZXMZPG,USDXVADJZXMZPG-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2","""AuxInfo=1/0/N:18,17,19,16,20,4,23,3,24,12,21,8,11,22,9,14,15,13,5,2,6,10,1,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:24OCCCCCOCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-USGILMBYCWJAQO_on_P18507_WT,Low,ChEMBL30,CHEMBL1078298,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(Cl)c4)-n3cn2)ccc1,USGILMBYCWJAQO,USGILMBYCWJAQO-UHFFFAOYSA-N,"InChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,15,19,7,10,21,2,17,13,4,14,6,5,12,18,11,22,9,3,20,8/rA:25CCNCCCCNNCNCCCCCCClCNCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-USGILMBYCWJAQO_on_P28472_WT,Low,ChEMBL30,CHEMBL1078298,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(Cl)c4)-n3cn2)ccc1,USGILMBYCWJAQO,USGILMBYCWJAQO-UHFFFAOYSA-N,"InChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,15,19,7,10,21,2,17,13,4,14,6,5,12,18,11,22,9,3,20,8/rA:25CCNCCCCNNCNCCCCCCClCNCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-USGILMBYCWJAQO_on_P31644_WT,Low,ChEMBL30,CHEMBL1078298,Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(Cl)c4)-n3cn2)ccc1,USGILMBYCWJAQO,USGILMBYCWJAQO-UHFFFAOYSA-N,"InChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3","""AuxInfo=1/0/N:1,24,25,23,16,15,19,7,10,21,2,17,13,4,14,6,5,12,18,11,22,9,3,20,8/rA:25CCNCCCCNNCNCCCCCCClCNCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;d9;s10;s8d11;s12;d13;s14;d15;s16;s17;s13d17;s6s14;s20;s5d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-USGOUABIEQPQLW_on_Q14416_WT,High,ChEMBL30,CHEMBL3337522,N#Cc1c(N2CCC(c3c(F)cccc3F)CC2)ccn(CC2CC2)c1=O,USGOUABIEQPQLW,USGOUABIEQPQLW-UHFFFAOYSA-N,"InChI=1S/C21H21F2N3O/c22-17-2-1-3-18(23)20(17)15-6-9-25(10-7-15)19-8-11-26(13-14-4-5-14)21(27)16(19)12-24/h1-3,8,11,14-15H,4-7,9-10,13H2","""AuxInfo=1/0/N:13,12,14,24,25,7,17,19,6,18,20,2,22,23,8,3,10,15,4,9,26,11,16,1,5,21,27/E:(2,3)(4,5)(6,7)(9,10)(17,18)(22,23)/rA:27NCCCNCCCCCFCCCCFCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s9d14;s15;s8;s5s17;s4;d19;s20;s21;s22;s23;s23s24;s3s21;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-USOOWRCOYYNZPU_on_Q05586_WT,Low,ChEMBL30,CHEMBL2419157,CC(CCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,USOOWRCOYYNZPU,USOOWRCOYYNZPU-UHFFFAOYSA-N,"InChI=1S/C26H44O2/c1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5/h6,17,19-23,27-28H,7-16H2,1-5H3","""AuxInfo=1/0/N:1,6,7,23,28,15,14,10,11,3,20,25,4,21,26,17,2,16,18,13,9,12,24,5,22,27,19,8/E:(2,3)/rA:28CCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s5;s2;s9;s10;s11;s12;s13;s14;w?15;s16;s17;s18;s18;s20;s16s21;s22;s13s22;s24;s25;s9s12s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4408248;CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  6.750;  6.390,6.57,0.18,0.18,2.0,6.57,0.18
-USOOWRCOYYNZPU_on_Q12879_WT,Low,ChEMBL30,CHEMBL2419157,CC(CCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,USOOWRCOYYNZPU,USOOWRCOYYNZPU-UHFFFAOYSA-N,"InChI=1S/C26H44O2/c1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5/h6,17,19-23,27-28H,7-16H2,1-5H3","""AuxInfo=1/0/N:1,6,7,23,28,15,14,10,11,3,20,25,4,21,26,17,2,16,18,13,9,12,24,5,22,27,19,8/E:(2,3)/rA:28CCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s5;s2;s9;s10;s11;s12;s13;s14;w?15;s16;s17;s18;s18;s20;s16s21;s22;s13s22;s24;s25;s9s12s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4408248,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-USOOWRCOYYNZPU_on_Q13224_WT,Low,ChEMBL30,CHEMBL2419157,CC(CCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,USOOWRCOYYNZPU,USOOWRCOYYNZPU-UHFFFAOYSA-N,"InChI=1S/C26H44O2/c1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5/h6,17,19-23,27-28H,7-16H2,1-5H3","""AuxInfo=1/0/N:1,6,7,23,28,15,14,10,11,3,20,25,4,21,26,17,2,16,18,13,9,12,24,5,22,27,19,8/E:(2,3)/rA:28CCCCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s5;s2;s9;s10;s11;s12;s13;s14;w?15;s16;s17;s18;s18;s20;s16s21;s22;s13s22;s24;s25;s9s12s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-USPCVYGSUNDFSN_on_Q13255_WT,Medium,ChEMBL30,CHEMBL2111943;CHEMBL2111944;CHEMBL138082;CHEMBL434064,COC(=O)C(Cc1ccccc1)NC(=O)C12CC1C(=NO)c1c(cccc1)O2,USPCVYGSUNDFSN,USPCVYGSUNDFSN-UHFFFAOYSA-N,"InChI=1S/C21H20N2O5/c1-27-19(24)16(11-13-7-3-2-4-8-13)22-20(25)21-12-15(21)18(23-26)14-9-5-6-10-17(14)28-21/h2-10,15-16,26H,11-12H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,10,9,11,26,25,8,12,27,24,6,17,7,22,18,5,23,19,3,14,16,13,20,4,15,21,2,28/E:(3,4)(7,8)/rA:28COCOCCCCCCCCNCOCCCCNOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5;s13;d14;s14;s16;s16s17;s18;w?19;s20;s19;d22;s23;d24;s25;s22d26;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL710047;CHEMBL710045;CHEMBL710045;CHEMBL710045,PMID:11087567,2000.0,PMID:11087567,2000,1,0,0,0,0,,=,  6.030;  6.370;  5.920;  5.850,6.042000000000001,0.2,0.115,4.0,5.975,0.09
-USUBDEASZCSAFD_on_Q05586_WT,Low,ChEMBL30,CHEMBL159416,COc1c(CN=C(N)c2cc3c(cccc3)cc2)cccc1,USUBDEASZCSAFD,USUBDEASZCSAFD-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,20,21,13,16,19,22,17,18,10,5,12,11,9,4,3,7,8,6,2/rA:22COCCCNCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;d13;s14;s11d15;s12;s9d17;s4;d19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-USUBDEASZCSAFD_on_Q13224_WT,Low,ChEMBL30,CHEMBL159416,COc1c(CN=C(N)c2cc3c(cccc3)cc2)cccc1,USUBDEASZCSAFD,USUBDEASZCSAFD-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)","""AuxInfo=1/1/N:1,14,15,20,21,13,16,19,22,17,18,10,5,12,11,9,4,3,7,8,6,2/rA:22COCCCNCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s7;d9;s10;d11;s12;d13;s14;s11d15;s12;s9d17;s4;d19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-USUFLSWNPAKSOX_on_P41594_WT,High,ChEMBL30,CHEMBL2431428,COc1ccnc(N2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)c1,USUFLSWNPAKSOX,USUFLSWNPAKSOX-UHFFFAOYSA-N,"InChI=1S/C28H28FN5O2/c1-20-16-22(8-9-24(20)29)25-18-34(28(31-25)21-6-4-3-5-7-21)19-27(35)33-14-12-32(13-15-33)26-17-23(36-2)10-11-30-26/h3-11,16-18H,12-15,19H2,1-2H3","""AuxInfo=1/0/N:21,1,31,30,32,29,33,25,24,4,5,9,35,10,34,19,36,16,14,20,28,18,3,22,17,7,12,27,23,6,26,8,11,15,13,2/E:(4,5)(6,7)(12,13)(14,15)/rA:36COCCCNCNCCNCOCNCCCCCCCFCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;s19;s20;d20;s22;s22;s18d24;s17;s15d26;s27;d28;s29;d30;s31;s28d32;s11;s8s34;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-USUMQEZUENCWOG_on_O00591_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_O14764_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P14867_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P18505_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P18507_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P28472_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P31644_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P34903_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P47869_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P47870_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P48169_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_P78334_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USUMQEZUENCWOG_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322874,Nc1ccc(C(=O)O)c(Cl)n1,USUMQEZUENCWOG,USUMQEZUENCWOG-UHFFFAOYSA-N,"InChI=1S/C6H5ClN2O2/c7-5-3(6(10)11)1-2-4(8)9-5/h1-2H,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:4,3,5,2,9,6,10,1,11,7,8/E:(10,11)/rA:11NCCCCCOOCClN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s2d9;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-USYDGTLOPLIFMI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30;ChEMBL30,CHEMBL365797;11463475;CHEMBL365797;CHEMBL365797,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1,USYDGTLOPLIFMI,USYDGTLOPLIFMI-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)","""AuxInfo=1/1/N:18,19,25,26,17,20,24,6,5,27,9,11,10,7,16,15,4,23,2,21,13,8,28,3,12,1,22,14/E:(1,2)(5,6)(15,16)(20,21)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;PubChemAID:240173;CHEMBL903194;CHEMBL903194,PMID:15537338,2004.0,PMID:15537338;PubChemAID:240173;PMID:17210250;PMID:17210250,2004;2010;2007;2007,0,1;0;1;1,0,0,0;1;0;0,,=,  6.610;  6.611;  6.600;  6.600,6.605,0.005,0.003,4.0,6.605,0.005
-USYKHBHKAMATSI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3976663,CC(C)c1c(S(=O)(=O)Cc2ccc(F)cc2F)sc(NC(=O)c2ccccn2)n1,USYKHBHKAMATSI,USYKHBHKAMATSI-UHFFFAOYSA-N,"InChI=1S/C19H17F2N3O3S2/c1-11(2)16-18(29(26,27)10-12-6-7-13(20)9-14(12)21)28-19(23-16)24-17(25)15-5-3-4-8-22-15/h3-9,11H,10H2,1-2H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,25,26,24,11,12,27,15,9,2,10,13,16,23,4,21,5,19,14,17,28,29,20,22,7,8,18,6/E:(1,2)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCCCFCCFSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;d12;s13;s13;s10d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-USYOKDAUVHERQP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44404893;CHEMBL199193,CCOc1cc(-c2ccccc2)cnc1Nc1cccc(C)n1,USYOKDAUVHERQP,USYOKDAUVHERQP-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-3-23-17-12-16(15-9-5-4-6-10-15)13-20-19(17)22-18-11-7-8-14(2)21-18/h4-13H,3H2,1-2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,10,9,11,19,20,8,12,18,5,13,21,7,6,4,17,15,14,23,16,3/E:(5,6)(9,10)/rA:23CCOCCCCCCCCCCNCNCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;s4d14;s15;s16;d17;s18;d19;s20;s21;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:255952;CHEMBL873552,PMID:16039855,2005.0,PubChemAID:255952;PMID:16039855,2010;2005,0;1,0,0,0,1;0,,=,  6.573;  6.570,6.572,0.002,0.002,2.0,6.572,0.002
-USZPQRMQYJIDII_on_P41594_WT,Low,ChEMBL30,CHEMBL1438160,Cc1cc(Nc2ncc3C(=O)CCCc3n2)cc(C)c1,USZPQRMQYJIDII,USZPQRMQYJIDII-UHFFFAOYSA-N,"InChI=1S/C16H17N3O/c1-10-6-11(2)8-12(7-10)18-16-17-9-13-14(19-16)4-3-5-15(13)20/h6-9H,3-5H2,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,19,13,14,12,20,3,17,8,2,18,4,9,15,10,6,7,5,16,11/E:(1,2)(7,8)(10,11)/rA:20CCCCNCNCCCOCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s9s14;s6d15;d4;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UTAFYYODHNXNBD_on_P14867_WT,Low,ChEMBL30,CHEMBL307218,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccccc2)s1,UTAFYYODHNXNBD,UTAFYYODHNXNBD-UHFFFAOYSA-N,"InChI=1S/C17H18OS2/c1-17(2)9-12-14(13(18)10-17)16(19-3)20-15(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3","""AuxInfo=1/0/N:9,10,1,17,16,18,15,19,11,7,14,12,5,4,13,3,8,6,2,20/E:(1,2)(5,6)(7,8)/rA:20CSCCCOCCCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-UTAFYYODHNXNBD_on_P31644_WT,Low,ChEMBL30,CHEMBL307218,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccccc2)s1,UTAFYYODHNXNBD,UTAFYYODHNXNBD-UHFFFAOYSA-N,"InChI=1S/C17H18OS2/c1-17(2)9-12-14(13(18)10-17)16(19-3)20-15(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3","""AuxInfo=1/0/N:9,10,1,17,16,18,15,19,11,7,14,12,5,4,13,3,8,6,2,20/E:(1,2)(5,6)(7,8)/rA:20CSCCCOCCCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-UTAFYYODHNXNBD_on_P34903_WT,Low,ChEMBL30,CHEMBL307218,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccccc2)s1,UTAFYYODHNXNBD,UTAFYYODHNXNBD-UHFFFAOYSA-N,"InChI=1S/C17H18OS2/c1-17(2)9-12-14(13(18)10-17)16(19-3)20-15(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3","""AuxInfo=1/0/N:9,10,1,17,16,18,15,19,11,7,14,12,5,4,13,3,8,6,2,20/E:(1,2)(5,6)(7,8)/rA:20CSCCCOCCCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-UTAFYYODHNXNBD_on_P47869_WT,Low,ChEMBL30,CHEMBL307218,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccccc2)s1,UTAFYYODHNXNBD,UTAFYYODHNXNBD-UHFFFAOYSA-N,"InChI=1S/C17H18OS2/c1-17(2)9-12-14(13(18)10-17)16(19-3)20-15(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3","""AuxInfo=1/0/N:9,10,1,17,16,18,15,19,11,7,14,12,5,4,13,3,8,6,2,20/E:(1,2)(5,6)(7,8)/rA:20CSCCCOCCCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-UTAIQGDGWVABPF_on_Q14416_WT,High,ChEMBL30,CHEMBL1669384,CCCn1ccc2c(c(Cl)cc(OCc3cnccc3)c2)c1=O,UTAIQGDGWVABPF,UTAIQGDGWVABPF-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2O2/c1-2-7-21-8-5-14-9-15(10-16(19)17(14)18(21)22)23-12-13-4-3-6-20-11-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,19,20,6,18,3,5,21,11,16,14,15,7,12,9,8,22,10,17,4,23,13/rA:23CCCNCCCCCClCCOCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s7d12;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-UTAOHGBTBQAGJG_on_P31644_WT,High,ChEMBL30,CHEMBL3681478,Cc1c(CNc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccc(F)cc2)no1,UTAOHGBTBQAGJG,UTAOHGBTBQAGJG-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-13-18(20(26-28-13)15-4-7-17(22)8-5-15)12-24-19-9-6-16(11-23-19)21(27)25-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,24)(H,25,27)","""AuxInfo=1/1/N:1,15,16,21,26,8,22,25,7,13,17,4,2,14,20,9,23,3,6,19,10,24,18,5,12,27,11,28/E:(2,3)(4,5)(7,8)/rA:28CCCCNCCCCCONCCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-UTDCZGDLGDVTAF_on_P41594_WT,Low,ChEMBL30,CHEMBL2011872,Cc1c(NC(=O)C2CC2C)snc1-c1ccccc1,UTDCZGDLGDVTAF,UTDCZGDLGDVTAF-UHFFFAOYSA-N,"InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)","""AuxInfo=1/1/N:10,1,17,16,18,15,19,8,9,2,14,7,13,5,3,4,12,6,11/E:(4,5)(6,7)/rA:19CCCNCOCCCCSNCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-UTDCZGDLGDVTAF_on_Q13255_WT,High,ChEMBL30,CHEMBL2011872,Cc1c(NC(=O)C2CC2C)snc1-c1ccccc1,UTDCZGDLGDVTAF,UTDCZGDLGDVTAF-UHFFFAOYSA-N,"InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)","""AuxInfo=1/1/N:10,1,17,16,18,15,19,8,9,2,14,7,13,5,3,4,12,6,11/E:(4,5)(6,7)/rA:19CCCNCOCCCCSNCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2016180,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-UTDUPZRTTJVHAB_on_Q14416_WT,High,ChEMBL30,CHEMBL3337525,O=c1c(C(F)(F)F)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1,UTDUPZRTTJVHAB,UTDUPZRTTJVHAB-UHFFFAOYSA-N,"InChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2","""AuxInfo=1/0/N:16,15,17,14,18,26,27,11,19,21,10,20,22,24,25,13,12,8,3,2,4,5,6,7,9,23,1/E:(2,3)(4,5)(6,7)(8,9)(11,12)(22,23,24)/rA:27OCCCFFFCNCCCCCCCCCCCCCNCCCC/rB:d1;s2;s3;s4;s4;s4;d3;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;s9s19;s8;d21;s2s22;s23;s24;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-UTGCEMUVCISALH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3937068,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1,UTGCEMUVCISALH,UTGCEMUVCISALH-UHFFFAOYSA-N,"InChI=1S/C21H19FN4O2/c22-15-4-2-14(3-5-15)17-10-19(21(23)28)25-18-9-13(1-6-16(17)18)11-26-8-7-24-20(27)12-26/h1-6,9-10H,7-8,11-12H2,(H2,23,28)(H,24,27)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,26,5,18,25,17,7,10,14,6,27,4,23,2,11,1,22,28,19,24,3/E:(2,3)(4,5)/rA:28NCOCCCCCCCFCCCCCCCNCCNCOCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;d23;s19s23;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-UTPGRZGMQVAYAA_on_O15399_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_O60391_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P14867_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P18505_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P28472_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P31644_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P34903_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,16660294;CHEMBL569270;CHEMBL569270,CNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,13,17,22,18,21,24,9,5,16,19,7,8,3,14,11,20,2,6,4,23,12,15,10/E:(3,4)(5,6)/rA:24CNCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;s12;s12;d14;s14;d16;s17;d18;s19;s19;s16d21;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:449313;CHEMBL3090346;CHEMBL1046438,PMID:19674894,2009.0,PubChemAID:449313;PMID:24147864;PMID:19674894,2010;2013;2009,0;0;1,0,0,0;1;0,1;0;0,,=,  5.102;  5.100;  5.100,5.101,0.001,0.001,3.0,5.1,0.0
-UTPGRZGMQVAYAA_on_P47869_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P47870_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_P48169_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q05586_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q12879_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q13224_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16660294;CHEMBL569270,CNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,13,17,22,18,21,24,9,5,16,19,7,8,3,14,11,20,2,6,4,23,12,15,10/E:(3,4)(5,6)/rA:24CNCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;s11;s12;s12;d14;s14;d16;s17;d18;s19;s19;s16d21;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:449312;CHEMBL1046437,PMID:19674894,2009.0,PubChemAID:449312;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  8.745;  8.740,8.742,0.002,0.002,2.0,8.742,0.002
-UTPGRZGMQVAYAA_on_Q14957_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3090306,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTPGRZGMQVAYAA_on_Q16445_WT,Low,ChEMBL30,CHEMBL569270,CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,UTPGRZGMQVAYAA,UTPGRZGMQVAYAA-UHFFFAOYSA-N,"InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,11,15,20,16,19,4,7,23,14,17,5,6,3,12,9,18,2,22,24,21,10,13,8/E:(3,4)(5,6)/rA:24CNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s10;s10;d12;s12;d14;s15;d16;s17;s17;s14d19;s6d9;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3090317,PMID:24147864,2013.0,PMID:24147864,2013,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UTRYCWQCSOJNAJ_on_P41594_WT,Low,ChEMBL30,CHEMBL375439,CCc1ccccc1-n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,UTRYCWQCSOJNAJ,UTRYCWQCSOJNAJ-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,19,20,2,5,6,4,7,21,22,10,3,8,17,16,12,13,15,24,23,11,18,9,25,14/E:(2,3)/rA:25CCCCCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;d12;s13;s14;s12d15;s16;s17;s18;s18;d17;s21;s15d22;s9s13;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UTRYCWQCSOJNAJ_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11501188;CHEMBL375439,CCc1ccccc1-n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O,UTRYCWQCSOJNAJ,UTRYCWQCSOJNAJ-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,19,20,2,5,6,4,7,21,22,10,3,8,17,16,12,13,15,24,23,11,18,9,25,14/E:(2,3)/rA:25CCCCCCCCNCNCCSCCCNCCCCNCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;d12;s13;s14;s12d15;s16;s17;s18;s18;d17;s21;s15d22;s9s13;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.600;  6.600,6.6,0.0,0.0,2.0,6.6,0.0
-UTVLFQJTGRGDDM_on_P41594_WT,High,ChEMBL30,CHEMBL1487967,COc1cccc(-c2nc(-c3ncccc3)no2)c1,UTVLFQJTGRGDDM,UTVLFQJTGRGDDM-UHFFFAOYSA-N,"InChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3","""AuxInfo=1/0/N:1,15,14,5,6,4,16,13,19,7,3,11,10,8,12,9,17,2,18/rA:19COCCCCCCNCCNCCCCNOC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s8s17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-UTZDAUNSQCXFPR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3964668,O=C1N(c2ccc(C#Cc3cccnc3)cn2)CC2CCCCN12,UTZDAUNSQCXFPR,UTZDAUNSQCXFPR-UHFFFAOYSA-N,"InChI=1S/C19H18N4O/c24-19-22-11-2-1-5-17(22)14-23(19)18-9-8-16(13-21-18)7-6-15-4-3-10-20-12-15/h3-4,8-10,12-13,17H,1-2,5,11,14H2","""AuxInfo=1/0/N:21,22,12,11,20,9,8,6,5,13,23,15,16,18,10,7,19,4,2,14,17,24,3,1/rA:24OCNCCCCCCCCCCNCCNCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;s3;s18;s19;s20;s21;s22;s2s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-UUAPOCHYLSFNHQ_on_P41594_WT,High,ChEMBL30,CHEMBL1779852,CN1CCc2c(ccc(C#Cc3cccc(Cl)c3)n2)C1=O,UUAPOCHYLSFNHQ,UUAPOCHYLSFNHQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O/c1-20-10-9-16-15(17(20)21)8-7-14(19-16)6-5-12-3-2-4-13(18)11-12/h2-4,7-8,11H,9-10H2,1H3","""AuxInfo=1/0/N:1,14,13,15,11,10,8,7,4,3,18,12,16,9,6,5,20,17,19,2,21/rA:21CNCCCCCCCCCCCCCCClCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s5d9;s2s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  6.600;  7.660,7.13,0.53,0.53,2.0,7.13,0.53
-UUAXAWBUWCTZMF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54584542;CHEMBL1779864;CHEMBL1779864,CC(C)N1CCc2c(ccc(C#Cc3ccc(Cl)cc3)n2)C1=O,UUAXAWBUWCTZMF,UUAXAWBUWCTZMF-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O/c1-13(2)22-12-11-18-17(19(22)23)10-9-16(21-18)8-5-14-3-6-15(20)7-4-14/h3-4,6-7,9-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:1,3,15,20,13,16,19,12,10,9,6,5,2,14,17,11,8,7,22,18,21,4,23/E:(1,2)(3,4)(6,7)/rA:23CCCNCCCCCCCCCCCCCClCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s17;s14d19;s7d11;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137;PMID:21531137,2012;2011;2011,0;0;1,0,0,0;1;0,1;0;0,,=,  5.374;  4.570;  5.370,5.105,0.37799999999999995,0.267,3.0,5.37,0.004
-UUBWTXAAXQMDJM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL234972,CCCOC(=O)c1c(C)c(C(=O)OC(C)C(C)(C)C)c[nH]1,UUBWTXAAXQMDJM,UUBWTXAAXQMDJM-UHFFFAOYSA-N,"InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(9-17-13)14(18)21-11(3)16(4,5)6/h9,11,17H,7-8H2,1-6H3","""AuxInfo=1/0/N:1,9,15,17,18,19,2,3,20,8,14,10,7,11,5,16,21,12,6,4,13/E:(4,5,6)/rA:21CCCOCOCCCCCOOCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;s10;d11;s11;s13;s14;s14;s16;s16;s16;d10;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-UUBXQAQLUVZNFP_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830896,Cc1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nn1,UUBXQAQLUVZNFP,UUBXQAQLUVZNFP-UHFFFAOYSA-N,"InChI=1S/C14H14N6S/c1-8-5-6-12(20-18-8)16-14-17-13-9-7-15-19-10(9)3-2-4-11(13)21-14/h5-7H,2-4H2,1H3,(H,15,19)(H,16,17,20)","""AuxInfo=1/1/N:1,12,13,11,3,4,16,2,15,14,10,5,9,7,17,6,8,21,18,20,19/rA:21CCCCCNCNCCCCCCCCNNSNN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UUDAMDVQRQNNHZ_on_O15303_WT,Low,ChEMBL30,CHEMBL276815,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL712389,PMID:8759641,1996.0,PMID:8759641,1996,0,1,0,0,0,,=,  3.658,3.658,0.0,0.0,1.0,3.658,0.0
-UUDAMDVQRQNNHZ_on_O15399_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_O60391_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUDAMDVQRQNNHZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL13378,Cc1c(CC(N)C(=O)O)c(O)no1,UUDAMDVQRQNNHZ,UUDAMDVQRQNNHZ-UHFFFAOYSA-N,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,4,2,3,5,10,7,6,12,11,8,9,13/E:(11,12)/rA:13CCCCCNCOOCONO/rB:s1;d2;s3;s4;s5;s5;d7;s7;s3;s10;d10;s2s12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUEUFEHEKXFNOU_on_P14867_WT,Low,ChEMBL30,CHEMBL203652,Fc1cc(-c2nccc(-c3cnc4nc(C(F)(F)F)ccn34)c2)ccc1,UUEUFEHEKXFNOU,UUEUFEHEKXFNOU-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-3-1-2-11(8-13)14-9-12(4-6-23-14)15-10-24-17-25-16(18(20,21)22)5-7-26(15)17/h1-10H","""AuxInfo=1/0/N:25,24,26,8,20,7,21,3,23,11,4,9,2,5,10,15,13,16,1,17,18,19,6,12,14,22/E:(20,21,22)/rA:26FCCCCNCCCCCNCNCCFFFCCNCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-UUEUFEHEKXFNOU_on_P34903_WT,Low,ChEMBL30,CHEMBL203652,Fc1cc(-c2nccc(-c3cnc4nc(C(F)(F)F)ccn34)c2)ccc1,UUEUFEHEKXFNOU,UUEUFEHEKXFNOU-UHFFFAOYSA-N,"InChI=1S/C18H10F4N4/c19-13-3-1-2-11(8-13)14-9-12(4-6-23-14)15-10-24-17-25-16(18(20,21)22)5-7-26(15)17/h1-10H","""AuxInfo=1/0/N:25,24,26,8,20,7,21,3,23,11,4,9,2,5,10,15,13,16,1,17,18,19,6,12,14,22/E:(20,21,22)/rA:26FCCCCNCCCCCNCNCCFFFCCNCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s16;s16;s15;d20;s10s13s21;s5d9;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-UUFPWPUPPVEDSS_on_Q13224_WT,High,ChEMBL30,CHEMBL247115,FC(F)(F)Oc1c(Cl)cc(C2=NC(c3ccccc3OC(F)(F)F)CN2)cc1,UUFPWPUPPVEDSS,UUFPWPUPPVEDSS-UHFFFAOYSA-N,"InChI=1S/C17H11ClF6N2O2/c18-11-7-9(5-6-14(11)28-17(22,23)24)15-25-8-12(26-15)10-3-1-2-4-13(10)27-16(19,20)21/h1-7,12H,8H2,(H,25,26)","""AuxInfo=1/1/N:16,17,15,18,27,28,9,25,10,14,7,13,19,6,11,21,2,8,22,23,24,1,3,4,26,12,20,5/E:(19,20,21)(22,23,24)/rA:28FCFFOCCClCCCNCCCCCCCOCFFFCNCC/rB:s1;s2;s2;s2;s5;d6;s7;s7;d9;s10;w?11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s21;s21;s13;s11s25;s10;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887786;CHEMBL887787,PMID:17498948,2007.0,PMID:17498948,2007,0;1,0,0,1;0,0,,=,  6.300;  5.460,5.88,0.42,0.42,2.0,5.88,0.42
-UUHFNCYJQAKUCG_on_P41594_WT,Medium,ChEMBL30,CHEMBL245606,CN1CC(=O)N=C1NC(=O)Nc1ncccc1Cl,UUHFNCYJQAKUCG,UUHFNCYJQAKUCG-UHFFFAOYSA-N,"InChI=1S/C10H10ClN5O2/c1-16-5-7(17)13-9(16)15-10(18)14-8-6(11)3-2-4-12-8/h2-4H,5H2,1H3,(H2,12,13,14,15,17,18)","""AuxInfo=1/1/N:1,15,16,14,3,17,4,12,7,9,18,13,6,11,8,2,5,10/rA:18CNCCONCNCONCNCCCCCl/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-UUHYJYZVUFBGMW_on_P18507_WT,Low,ChEMBL30,CHEMBL235577,CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UUHYJYZVUFBGMW,UUHYJYZVUFBGMW-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-21-22-23(11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,15,21,8,16,7,13,22,12,17,14,23,18,19,20,9,10,11/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UUHYJYZVUFBGMW_on_P47869_WT,Low,ChEMBL30,CHEMBL235577,CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UUHYJYZVUFBGMW,UUHYJYZVUFBGMW-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-21-22-23(11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,15,21,8,16,7,13,22,12,17,14,23,18,19,20,9,10,11/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UUHYJYZVUFBGMW_on_P47870_WT,Low,ChEMBL30,CHEMBL235577,CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl,UUHYJYZVUFBGMW,UUHYJYZVUFBGMW-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-2-3-4-5-6-11-9-21-22-23(11)14-12(16)7-10(8-13(14)17)15(18,19)20/h7-9H,2-6H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,6,15,21,8,16,7,13,22,12,17,14,23,18,19,20,9,10,11/E:(7,8)(12,13)(16,17)(18,19,20)/rA:23CCCCCCCCNNNCCClCCCFFFCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s13;d15;s16;s17;s17;s17;s16;s12d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-UUINECAPKISUQC_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3970411,Fc1ccc(Nc2c3ncncc3n[nH]2)cc1Cl,UUINECAPKISUQC,UUINECAPKISUQC-UHFFFAOYSA-N,"InChI=1S/C11H7ClFN5/c12-7-3-6(1-2-8(7)13)16-11-10-9(17-18-11)4-14-5-15-10/h1-5H,(H2,16,17,18)","""AuxInfo=1/1/N:4,3,16,12,10,5,17,2,13,8,7,18,1,11,9,6,14,15/rA:18FCCCCNCCNCNCCNNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s8s12;d13;s7s14;s5;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-UUKQDEMVLZEXPO_on_P41594_WT,High,ChEMBL30,CHEMBL202125,Cc1nc(C#Cc2ccc(F)cc2)cs1,UUKQDEMVLZEXPO,UUKQDEMVLZEXPO-UHFFFAOYSA-N,"InChI=1S/C12H8FNS/c1-9-14-12(8-15-9)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8H,1H3","""AuxInfo=1/0/N:1,8,13,6,9,12,5,14,2,7,10,4,11,3,15/E:(2,3)(5,6)/rA:15CCNCCCCCCCFCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-UUMNEKCJEIUIFP_on_Q14833_WT,High,ChEMBL30,CHEMBL3608323,COc1c(Cl)ccc(NC(=O)c2nc(F)ccc2)c1,UUMNEKCJEIUIFP,UUMNEKCJEIUIFP-UHFFFAOYSA-N,"InChI=1S/C13H10ClFN2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)","""AuxInfo=1/1/N:1,17,18,16,7,6,19,8,4,12,3,14,10,5,15,9,13,11,2/rA:19COCCClCCCNCOCNCFCCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s3d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3610662,PMID:26231155,2015.0,PMID:26231155,2015,1,0,0,0,0,,=,  8.130;  8.140,8.135,0.005,0.005,2.0,8.135,0.005
-UUNCSSVBRBKVQA_on_Q13255_WT,Low,ChEMBL30,CHEMBL3759846,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1,UUNCSSVBRBKVQA,UUNCSSVBRBKVQA-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5O3/c1-9-8-21-23-14(9)16(25)22-10-4-5-13(12(19)7-10)24-17(26)11-3-2-6-20-15(11)18(24)27/h2-8H,1H3,(H,21,23)(H,22,25)","""AuxInfo=1/1/N:1,21,22,11,12,20,27,3,2,10,17,25,13,6,18,7,15,23,26,19,4,9,5,14,8,16,24/rA:27CCCNNCCONCCCCNCOCCNCCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-UUNCSSVBRBKVQA_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759846,Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1,UUNCSSVBRBKVQA,UUNCSSVBRBKVQA-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5O3/c1-9-8-21-23-14(9)16(25)22-10-4-5-13(12(19)7-10)24-17(26)11-3-2-6-20-15(11)18(24)27/h2-8H,1H3,(H,21,23)(H,22,25)","""AuxInfo=1/1/N:1,21,22,11,12,20,27,3,2,10,17,25,13,6,18,7,15,23,26,19,4,9,5,14,8,16,24/rA:27CCCNNCCONCCCCNCOCCNCCCCOCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UUOVGXMBILZJEO_on_P41594_WT,High,ChEMBL30,CHEMBL1630063,Cc1c(C(C)OC(=O)Nc2cc(Cl)c(Cl)cc2)oc2ncnn12,UUOVGXMBILZJEO,UUOVGXMBILZJEO-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2N4O3/c1-7-12(23-13-17-6-18-20(7)13)8(2)22-14(21)19-9-3-4-10(15)11(16)5-9/h3-6,8H,1-2H3,(H,19,21)","""AuxInfo=1/1/N:1,5,17,16,11,21,2,4,10,14,12,3,19,7,15,13,20,22,9,23,8,6,18/rA:23CCCCCOCONCCCClCClCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;s12;d12;s14;s14;s10d16;s3;s18;d19;s20;d21;s2s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-UUPRDNMOMBWQCQ_on_P41594_WT,Low,ChEMBL30,CHEMBL3943440,Cn1c(OCc2noc(-c3cc(Cl)ccc3)c2)nnc1-c1ccnc(O)c1,UUPRDNMOMBWQCQ,UUPRDNMOMBWQCQ-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5O3/c1-24-17(12-5-6-20-16(25)8-12)21-22-18(24)26-10-14-9-15(27-23-14)11-3-2-4-13(19)7-11/h2-9H,10H2,1H3,(H,20,25)","""AuxInfo=1/1/N:1,15,16,14,22,23,11,27,17,5,10,21,12,6,9,25,20,3,13,24,19,18,7,2,26,4,8/rA:27CNCOCCNOCCCCClCCCCNNCCCCNCOC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;s12;d12;s14;s10d15;s6d9;d3;s18;s2d19;s20;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,<=,  5.802,5.8020000000000005,0.0,0.0,1.0,5.8020000000000005,0.0
-UURDWXDYXFMWFB_on_P41594_WT,High,ChEMBL30,CHEMBL2151621,CC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1,UURDWXDYXFMWFB,UURDWXDYXFMWFB-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O2/c1-12-5-7-22(8-6-12)18(24)23-10-14(11-23)17-20-16(21-25-17)13-3-2-4-15(19)9-13/h2-4,9,12,14H,5-8,10-11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,3,25,4,24,20,9,23,2,14,10,18,13,11,6,19,12,21,5,8,7,22/E:(5,6)(7,8)(10,11)/rA:25CCCCNCONCCCNCCCCCCClCNOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s14d18;d13;s11s21;s8s10;s5;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-UUVODZHTLGIYBH_on_P18507_WT,Low,ChEMBL30,CHEMBL578395,CCOc1c2Cn3nccc3-c3c(ccc(Cl)c3)-n2cn1,UUVODZHTLGIYBH,UUVODZHTLGIYBH-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O/c1-2-21-15-14-8-20-13(5-6-18-20)11-7-10(16)3-4-12(11)19(14)9-17-15/h3-7,9H,2,8H2,1H3","""AuxInfo=1/0/N:1,2,15,14,10,9,18,6,20,16,12,13,11,5,4,17,21,8,19,7,3/rA:21CCOCCCNNCCCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-UUVODZHTLGIYBH_on_P28472_WT,Low,ChEMBL30,CHEMBL578395,CCOc1c2Cn3nccc3-c3c(ccc(Cl)c3)-n2cn1,UUVODZHTLGIYBH,UUVODZHTLGIYBH-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O/c1-2-21-15-14-8-20-13(5-6-18-20)11-7-10(16)3-4-12(11)19(14)9-17-15/h3-7,9H,2,8H2,1H3","""AuxInfo=1/0/N:1,2,15,14,10,9,18,6,20,16,12,13,11,5,4,17,21,8,19,7,3/rA:21CCOCCCNNCCCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-UUVODZHTLGIYBH_on_P31644_WT,Low,ChEMBL30,CHEMBL578395,CCOc1c2Cn3nccc3-c3c(ccc(Cl)c3)-n2cn1,UUVODZHTLGIYBH,UUVODZHTLGIYBH-UHFFFAOYSA-N,"InChI=1S/C15H13ClN4O/c1-2-21-15-14-8-20-13(5-6-18-20)11-7-10(16)3-4-12(11)19(14)9-17-15/h3-7,9H,2,8H2,1H3","""AuxInfo=1/0/N:1,2,15,14,10,9,18,6,20,16,12,13,11,5,4,17,21,8,19,7,3/rA:21CCOCCCNNCCCCCCCCClCNCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;d14;s15;s16;s12d16;s5s13;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-UUXCLBWETQQWIE_on_P18505_WT,Low,ChEMBL30,CHEMBL4241188,CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2OCOc2c1,UUXCLBWETQQWIE,UUXCLBWETQQWIE-UHFFFAOYSA-N,"InChI=1S/C21H21F2NO5/c1-20(2,3)29-19(26)24-17(13-7-5-4-6-8-13)21(22,23)18(25)14-9-10-15-16(11-14)28-12-27-15/h4-11,17H,12H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:1,3,4,13,12,14,11,15,22,23,29,26,10,21,24,28,9,19,6,2,16,17,18,8,20,7,25,27,5/E:(1,2,3)(5,6)(7,8)(22,23)/rA:29CCCCOCONCCCCCCCCFFCOCCCCOCOCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s16;s16;d19;s19;d21;s22;d23;s24;s25;s26;s24s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUXCLBWETQQWIE_on_P47870_WT,Low,ChEMBL30,CHEMBL4241188,CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2OCOc2c1,UUXCLBWETQQWIE,UUXCLBWETQQWIE-UHFFFAOYSA-N,"InChI=1S/C21H21F2NO5/c1-20(2,3)29-19(26)24-17(13-7-5-4-6-8-13)21(22,23)18(25)14-9-10-15-16(11-14)28-12-27-15/h4-11,17H,12H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:1,3,4,13,12,14,11,15,22,23,29,26,10,21,24,28,9,19,6,2,16,17,18,8,20,7,25,27,5/E:(1,2,3)(5,6)(7,8)(22,23)/rA:29CCCCOCONCCCCCCCCFFCOCCCCOCOCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s9;s16;s16;s16;d19;s19;d21;s22;d23;s24;s25;s26;s24s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4232519,PMID:29657102,2018.0,PMID:29657102,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UUYKOGNLETXYOL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL183864;44392969,Cc1nc(C#Cc2cc(-c3cnccc3)cnc2)cs1,UUYKOGNLETXYOL,UUYKOGNLETXYOL-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-16(11-20-12)5-4-13-7-15(10-18-8-13)14-3-2-6-17-9-14/h2-3,6-11H,1H3","""AuxInfo=1/0/N:1,14,15,6,5,13,8,18,11,16,19,2,7,10,9,4,12,17,3,20/rA:20CCNCCCCCCCCNCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431;PubChemAID:242195,PMID:15225713,2004.0,PMID:15225713;PubChemAID:242195,2004;2010,1;0,0,0,0,0;1,,=,  8.520;  8.523,8.521,0.002,0.002,2.0,8.521,0.002
-UUYQFOSWDVZCAB_on_P41594_WT,High,ChEMBL30,CHEMBL1451902,CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1)c1c(Cl)cccc1,UUYQFOSWDVZCAB,UUYQFOSWDVZCAB-UHFFFAOYSA-N,"InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)","""AuxInfo=1/1/N:1,21,22,15,14,16,20,23,11,6,12,10,18,17,7,13,19,9,5,8,3,4,2/E:(21,22)/CRV:23.6/rA:23CSOONCCONCCCClCCCCCClCCCC/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;d10;s11;s12;d12;s14;s10d15;s5;d17;s18;s18;d20;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2215796,PMID:23142615,2012.0,PMID:23142615,2012,0,1,0,0,0,,=,  6.110;  6.110,6.11,0.0,0.0,2.0,6.11,0.0
-UVAJWKRKGKQRLL_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094734,Cc1ccccc1OCC1CN(c2ccccc2)C(=O)O1,UVAJWKRKGKQRLL,UVAJWKRKGKQRLL-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-13-7-5-6-10-16(13)20-12-15-11-18(17(19)21-15)14-8-3-2-4-9-14/h2-10,15H,11-12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,4,5,3,14,18,6,11,9,2,13,10,7,19,12,20,8,21/E:(3,4)(8,9)/rA:21CCCCCCCOCCCNCCCCCCCOO/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s10s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UVAKOLFADYFKAQ_on_P41594_WT,High,ChEMBL30,CHEMBL2403683,CC1CC1C(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,UVAKOLFADYFKAQ,UVAKOLFADYFKAQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2OS/c1-13-11-15(13)19(22)21-10-9-16-17(12-21)23-18(20-16)8-7-14-5-3-2-4-6-14/h2-6,13,15H,9-12H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,16,15,9,8,3,12,2,17,4,10,11,14,5,23,7,6,13/E:(3,4)(5,6)/rA:23CCCCCONCCCCCSCCCCCCCCCN/rB:s1;s2;s2s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-UVCMGUHYKUSYEI_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937578,O=C(c1ccc(F)cc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1,UVCMGUHYKUSYEI,UVCMGUHYKUSYEI-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O2/c21-13-2-1-3-17(8-13)28-12-15-10-16-11-25(6-7-26(16)24-15)20(27)18-5-4-14(22)9-19(18)23/h1-5,8-10H,6-7,11-12H2","""AuxInfo=1/0/N:24,23,25,5,4,12,13,20,8,26,28,17,21,6,16,27,19,3,9,2,22,7,10,15,11,14,1,18/rA:28OCCCCCFCCFNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s9;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;s21;d21;s23;s19d24;s16;s14d26;s11s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-UVCYFWFPMMOFLV_on_P31644_WT,High,ChEMBL30,CHEMBL3676511,Cc1c(COc2cc(C(F)(F)F)c(C(=O)O)cn2)c(-c2ccccc2)no1,UVCYFWFPMMOFLV,UVCYFWFPMMOFLV-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2O4/c1-10-13(16(23-27-10)11-5-3-2-4-6-11)9-26-15-7-14(18(19,20)21)12(8-22-15)17(24)25/h2-8H,9H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,23,22,24,21,25,7,17,4,2,20,13,3,8,6,19,14,9,10,11,12,18,26,15,16,5,27/E:(3,4)(5,6)(19,20,21)(24,25)/rA:27CCCCOCCCCFFFCCOOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s9;s9;d8;s13;d14;s14;s13;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.740,7.74,0.0,0.0,1.0,7.74,0.0
-UVDMQAIODUGIPH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290725,OC1CN(C2COC(c3ccccc3)OC2)CCc2c1ccc(OCc1ccccc1)c2,UVDMQAIODUGIPH,UVDMQAIODUGIPH-UHFFFAOYSA-N,"InChI=1S/C27H29NO4/c29-26-16-28(23-18-31-27(32-19-23)21-9-5-2-6-10-21)14-13-22-15-24(11-12-25(22)26)30-17-20-7-3-1-4-8-20/h1-12,15,23,26-27,29H,13-14,16-19H2","""AuxInfo=1/0/N:29,12,28,30,11,13,27,31,10,14,22,21,18,17,32,3,25,6,16,26,9,19,5,23,20,2,8,4,1,24,7,15/E:(3,4)(5,6)(7,8)(9,10)(18,19)(31,32)/rA:32OCCNCCOCCCCCCCOCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;s17;s18;s2d19;s20;d21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UVDMQAIODUGIPH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290725,OC1CN(C2COC(c3ccccc3)OC2)CCc2c1ccc(OCc1ccccc1)c2,UVDMQAIODUGIPH,UVDMQAIODUGIPH-UHFFFAOYSA-N,"InChI=1S/C27H29NO4/c29-26-16-28(23-18-31-27(32-19-23)21-9-5-2-6-10-21)14-13-22-15-24(11-12-25(22)26)30-17-20-7-3-1-4-8-20/h1-12,15,23,26-27,29H,13-14,16-19H2","""AuxInfo=1/0/N:29,12,28,30,11,13,27,31,10,14,22,21,18,17,32,3,25,6,16,26,9,19,5,23,20,2,8,4,1,24,7,15/E:(3,4)(5,6)(7,8)(9,10)(18,19)(31,32)/rA:32OCCNCCOCCCCCCCOCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;s17;s18;s2d19;s20;d21;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UVDUHADZLZCIGC_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799814,CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12,UVDUHADZLZCIGC,UVDUHADZLZCIGC-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2S/c1-3-23-20(27)19-12(2)28-21-24-16(10-18(26)25(19)21)9-15-8-13(11-22)4-7-17(15)14-5-6-14/h4,7-8,10,14H,3,5-6,9H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,8,2,19,23,24,20,15,13,25,17,7,16,22,14,12,21,26,6,4,10,18,3,11,28,27,5,9/E:(5,6)/rA:28CCNCOCCCSCNCCCCCCNCCCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;t17;d16;s19;s14d20;s21;s22;s22s23;d12;s25;d26;s6s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-UVDUHADZLZCIGC_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799814,CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12,UVDUHADZLZCIGC,UVDUHADZLZCIGC-UHFFFAOYSA-N,"InChI=1S/C21H20N4O2S/c1-3-23-20(27)19-12(2)28-21-24-16(10-18(26)25(19)21)9-15-8-13(11-22)4-7-17(15)14-5-6-14/h4,7-8,10,14H,3,5-6,9H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,8,2,19,23,24,20,15,13,25,17,7,16,22,14,12,21,26,6,4,10,18,3,11,28,27,5,9/E:(5,6)/rA:28CCNCOCCCSCNCCCCCCNCCCCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s16;t17;d16;s19;s14d20;s21;s22;s22s23;d12;s25;d26;s6s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-UVDVHLGCTQPUHY_on_P41594_WT,High,ChEMBL30,CHEMBL2338600,Cc1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)n1,UVDVHLGCTQPUHY,UVDVHLGCTQPUHY-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O2/c1-13-5-2-10-18(22-13)20(26)24-17-9-4-8-16(12-17)23-19(25)14-6-3-7-15(21)11-14/h2-3,5-7,10-11,16-17H,4,8-9,12H2,1H3,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:1,4,23,12,3,24,22,13,11,5,19,25,2,18,20,14,10,6,16,7,21,26,15,9,17,8/rA:26CCCCCCCONCCCCCNCOCCCClCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;d18;s19;s20;d20;s22;s18d23;s10s14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;CHEMBL2343303,PMID:23357634,2013.0,PMID:23357634,2013,1;0,0,0,0;1,0,,=,  6.540;  6.240,6.39,0.15,0.15,2.0,6.39,0.15
-UVGSGGRQOUHBMK_on_P14867_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-UVGSGGRQOUHBMK_on_P18507_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960;  6.960;  7.370;  6.310,7.15,0.601,0.34700000000000003,4.0,7.165,0.5
-UVGSGGRQOUHBMK_on_P28472_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370;  6.960;  7.960;  6.310,7.15,0.601,0.34700000000000003,4.0,7.165,0.5
-UVGSGGRQOUHBMK_on_P31644_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-UVGSGGRQOUHBMK_on_P34903_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-UVGSGGRQOUHBMK_on_P47869_WT,Low,ChEMBL30,CHEMBL360113,OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1,UVGSGGRQOUHBMK,UVGSGGRQOUHBMK-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c30-14-16-5-4-6-17(13-16)15-31-25-22-19-11-9-18(10-12-19)21(22)24-27-26-23(29(24)28-25)20-7-2-1-3-8-20/h1-8,13,18-19,30H,9-12,14-15H2","""AuxInfo=1/0/N:17,16,18,5,4,6,15,19,27,29,26,30,31,2,8,3,7,28,25,14,23,24,13,22,10,20,21,11,12,1,9/E:(2,3)(7,8)(9,10)(11,12)/rA:31OCCCCCCCOCNNCCCCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-UVQBVTGQRSXVAW_on_P41594_WT,High,ChEMBL30,CHEMBL550624,O=C(NC1CCCCC1)c1ccc(C#Cc2ccccc2)nc1,UVQBVTGQRSXVAW,UVQBVTGQRSXVAW-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c23-20(22-19-9-5-2-6-10-19)17-12-14-18(21-15-17)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,12,14-15,19H,2,5-6,9-10H2,(H,22,23)","""AuxInfo=1/1/N:19,7,18,20,6,8,17,21,5,9,15,11,14,12,23,16,10,13,4,2,22,3,1/E:(3,4)(5,6)(7,8)(9,10)/rA:23OCNCCCCCCCCCCCCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756,PMID:19443216,2009.0,PMID:19443216,2009,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-UVRWFRQITDYELC_on_O15399_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_O60391_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVRWFRQITDYELC_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193760,O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2,UVRWFRQITDYELC,UVRWFRQITDYELC-UHFFFAOYSA-N,"InChI=1S/C22H23NO2/c24-21-17-20(19-9-5-2-6-10-19)25-22(21)12-15-23(16-13-22)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2","""AuxInfo=1/0/N:21,8,20,22,7,9,19,23,6,10,17,13,25,16,14,24,3,18,5,4,2,12,15,1,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25OCCCCCCCCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s4;s2s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVSBTRVDVBPUOS_on_Q05586_WT,Low,ChEMBL30,CHEMBL3357783,COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2O,UVSBTRVDVBPUOS,UVSBTRVDVBPUOS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,17,21,15,9,10,4,5,13,8,22,16,7,11,3,6,23,12,24,2/E:(3,4)(6,7)/rA:24COCCCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s6s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-UVSBTRVDVBPUOS_on_Q13224_WT,High,ChEMBL30,CHEMBL4294561;CHEMBL4287203;CHEMBL4287203;CHEMBL3357783,COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2O,UVSBTRVDVBPUOS,UVSBTRVDVBPUOS-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-24-19-11-12-20-17(14-19)9-10-18(15-21(20)23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,18,21-23H,5,8-10,13,15H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,17,21,15,9,10,4,5,13,8,22,16,7,11,3,6,23,12,24,2/E:(3,4)(6,7)/rA:24COCCCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s6s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4254520;CHEMBL4610803;CHEMBL4261996;CHEMBL3390297,PMID:25458498,2014.0,PMID:29289890;PMID:31843460;PMID:30108812;PMID:25458498,2018;2020;2017;2014,0;0;1;0,0,0,1;1;0;1,0,,=,  7.800;  7.800;  7.920;  7.800,7.83,0.052000000000000005,0.03,4.0,7.8,0.0
-UVTIJQDSGQQUDX_on_P14867_WT,Low,ChEMBL30,CHEMBL382005,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1,UVTIJQDSGQQUDX,UVTIJQDSGQQUDX-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O/c1-20(2,28)17-5-6-27-16(10-25-19(27)26-17)11-3-4-14(22)13(7-11)18-15(23)8-12(21)9-24-18/h3-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,28,27,12,17,20,9,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.750,8.75,0.0,0.0,1.0,8.75,0.0
-UVTIJQDSGQQUDX_on_P18507_WT,Low,ChEMBL30,CHEMBL382005,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1,UVTIJQDSGQQUDX,UVTIJQDSGQQUDX-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O/c1-20(2,28)17-5-6-27-16(10-25-19(27)26-17)11-3-4-14(22)13(7-11)18-15(23)8-12(21)9-24-18/h3-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,28,27,12,17,20,9,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL862572;CHEMBL863772;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.950;  8.750;  8.430,8.71,0.214,0.151,3.0,8.75,0.2
-UVTIJQDSGQQUDX_on_P28472_WT,Low,ChEMBL30,CHEMBL382005,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1,UVTIJQDSGQQUDX,UVTIJQDSGQQUDX-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O/c1-20(2,28)17-5-6-27-16(10-25-19(27)26-17)11-3-4-14(22)13(7-11)18-15(23)8-12(21)9-24-18/h3-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,28,27,12,17,20,9,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.750;  8.430;  8.950,8.71,0.214,0.151,3.0,8.75,0.2
-UVTIJQDSGQQUDX_on_P31644_WT,Low,ChEMBL30,CHEMBL382005,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1,UVTIJQDSGQQUDX,UVTIJQDSGQQUDX-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O/c1-20(2,28)17-5-6-27-16(10-25-19(27)26-17)11-3-4-14(22)13(7-11)18-15(23)8-12(21)9-24-18/h3-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,28,27,12,17,20,9,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.950,8.95,0.0,0.0,1.0,8.95,0.0
-UVTIJQDSGQQUDX_on_P34903_WT,Low,ChEMBL30,CHEMBL382005,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1,UVTIJQDSGQQUDX,UVTIJQDSGQQUDX-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O/c1-20(2,28)17-5-6-27-16(10-25-19(27)26-17)11-3-4-14(22)13(7-11)18-15(23)8-12(21)9-24-18/h3-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,28,27,12,17,20,9,11,18,13,22,15,10,5,14,7,2,19,23,16,21,8,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCFCCFCNCFCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s18;s14d20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-UVWURBJBVZRMKJ_on_Q14416_WT,High,ChEMBL30,CHEMBL4070866,NC1(C(=O)O)CC(NC(=O)c2ccc(O)cc2)C2C(C(=O)O)C21,UVWURBJBVZRMKJ,UVWURBJBVZRMKJ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-8(9-10(11(9)15)13(20)21)17-12(19)6-1-3-7(18)4-2-6/h1-4,8-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,1,8,15,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  7.260;  8.200,7.73,0.47,0.47,2.0,7.73,0.47
-UVWURBJBVZRMKJ_on_Q14832_WT,High,ChEMBL30,CHEMBL4070866,NC1(C(=O)O)CC(NC(=O)c2ccc(O)cc2)C2C(C(=O)O)C21,UVWURBJBVZRMKJ,UVWURBJBVZRMKJ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O6/c16-15(14(22)23)5-8(9-10(11(9)15)13(20)21)17-12(19)6-1-3-7(18)4-2-6/h1-4,8-11,18H,5,16H2,(H,17,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,1,8,15,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  8.030;  8.670,8.35,0.32,0.32,2.0,8.35,0.32
-UVXYVSZVIGUGKP_on_P41594_WT,High,ChEMBL30,CHEMBL1808891,Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1,UVXYVSZVIGUGKP,UVXYVSZVIGUGKP-UHFFFAOYSA-N,"InChI=1S/C21H18F2N4O/c1-13-7-18(14-8-15(22)10-16(23)9-14)26-11-17(13)20-3-2-6-27(20)21(28)19-12-24-4-5-25-19/h4-5,7-12,20H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,18,17,26,27,19,3,6,12,9,14,24,2,5,7,10,15,4,23,16,21,8,11,25,28,13,20,22/E:(8,9)(15,16)(22,23)/rA:28CCCCCCCFCCFCNCCCCCCNCOCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s9;s10;s5d10;d4;s13;s2d14;s15;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  5.700;  5.620,5.66,0.04,0.04,2.0,5.66,0.04
-UVZBMQWKNASQMI_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647544,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)cc1,UVZBMQWKNASQMI,UVZBMQWKNASQMI-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O2S/c1-2-31(29,30)18-9-6-15(7-10-18)19-12-16(8-11-21(19)24)20-13-26-27-23-22(20)25-14-28(23)17-4-3-5-17/h6-14,17H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,24,23,25,8,30,26,7,31,27,11,14,20,9,12,22,6,10,13,28,18,17,29,19,15,16,21,4,5,3/E:(4,5)(6,7)(9,10)(29,30)/CRV:31.6/rA:31CCSOOCCCCCCCCCNNCCNCNCCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s23;s22s24;d12;s26;s10d27;s28;s9;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-UVZKDPGRNWICJT_on_O15399_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_O60391_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_Q13224_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZKDPGRNWICJT_on_Q14957_WT,Low,ChEMBL30,CHEMBL1195367,O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2,UVZKDPGRNWICJT,UVZKDPGRNWICJT-UHFFFAOYSA-N,"InChI=1S/C21H20FNO2/c22-18-8-6-17(7-9-18)19-15-25-21(20(19)24)10-12-23(13-11-21)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2","""AuxInfo=1/0/N:21,20,22,19,23,5,10,6,9,14,25,15,24,17,11,18,4,7,3,2,13,8,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCCCCCCFCCCOCCCNCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;w?3;s11;s2s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UVZLSWUNCANUPD_on_P41594_WT,Medium,ChEMBL30,CHEMBL2021372,NC(C(=O)O)C12C3C4C1C1C2C3C41C(=O)O,UVZLSWUNCANUPD,UVZLSWUNCANUPD-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:7,9,11,8,12,10,2,3,14,6,13,1,4,5,15,16/E:(1,2,3)(4,5,6)(13,14)(15,16)/rA:16NCCOOCCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s8;s9;s6s10;s7s11;s8s10s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885337,PMID:9873392,1998.0,PMID:9873392,1998,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UVZLSWUNCANUPD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL2021372,NC(C(=O)O)C12C3C4C1C1C2C3C41C(=O)O,UVZLSWUNCANUPD,UVZLSWUNCANUPD-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:7,9,11,8,12,10,2,3,14,6,13,1,4,5,15,16/E:(1,2,3)(4,5,6)(13,14)(15,16)/rA:16NCCOOCCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s8;s9;s6s10;s7s11;s8s10s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2208615,PMID:9873392,1998.0,PMID:21413808,2011,1,0,0,0,0,,=,  4.120,4.12,0.0,0.0,1.0,4.12,0.0
-UVZLSWUNCANUPD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2021372,NC(C(=O)O)C12C3C4C1C1C2C3C41C(=O)O,UVZLSWUNCANUPD,UVZLSWUNCANUPD-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:7,9,11,8,12,10,2,3,14,6,13,1,4,5,15,16/E:(1,2,3)(4,5,6)(13,14)(15,16)/rA:16NCCOOCCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s8;s9;s6s10;s7s11;s8s10s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL818771;CHEMBL718220,PMID:9873392,1998.0,PMID:9873392;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  5.000;  4.260,4.63,0.37,0.37,2.0,4.63,0.37
-UVZLSWUNCANUPD_on_Q14833_WT,Medium,ChEMBL30,CHEMBL2021372,NC(C(=O)O)C12C3C4C1C1C2C3C41C(=O)O,UVZLSWUNCANUPD,UVZLSWUNCANUPD-UHFFFAOYSA-N,"InChI=1S/C11H11NO4/c12-7(8(13)14)10-1-4-2(10)6-3(10)5(1)11(4,6)9(15)16/h1-7H,12H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:7,9,11,8,12,10,2,3,14,6,13,1,4,5,15,16/E:(1,2,3)(4,5,6)(13,14)(15,16)/rA:16NCCOOCCCCCCCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s6s8;s9;s6s10;s7s11;s8s10s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL818791,PMID:9873392,1998.0,PMID:9873392,1998,0,1,0,0,0,,=,  4.700,4.7,0.0,0.0,1.0,4.7,0.0
-UWASDHOKGCWWPG_on_O15399_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_O60391_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_Q05586_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_Q12879_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_Q13224_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWASDHOKGCWWPG_on_Q14957_WT,Low,ChEMBL30,CHEMBL78928,N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1,UWASDHOKGCWWPG,UWASDHOKGCWWPG-UHFFFAOYSA-N,"InChI=1S/C21H18IN3/c22-18-11-5-7-13-20(18)25-21(23)24-19-12-6-4-10-17(19)15-14-16-8-2-1-3-9-16/h1-15H,(H3,23,24,25)","""AuxInfo=1/1/N:23,22,24,15,8,14,9,21,25,16,7,13,10,19,18,20,17,5,12,4,2,6,1,11,3/E:(2,3)(8,9)/rA:25NCNCCICCCCNCCCCCCCCCCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s4d9;s2;s11;d12;s13;d14;s15;s12d16;s17;w?18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UWKTUBAIUVAJLH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL323080,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(COc2ccccc2)cc1,UWKTUBAIUVAJLH,UWKTUBAIUVAJLH-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-7-6-14-22-15-19)20-12-10-18(11-13-20)17-26-21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3","""AuxInfo=1/0/N:1,2,23,22,24,12,13,21,25,16,26,15,27,11,9,7,18,17,8,14,20,10,6,4,5,19,3/E:(4,5)(8,9)(10,11)(12,13)(24,25)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-UWUIDVWACVYKRE_on_Q14833_WT,High,ChEMBL30,CHEMBL4082331,ON=c1cc(-c2ccc3ncccc3c2)oc2c1cccc2,UWUIDVWACVYKRE,UWUIDVWACVYKRE-UHFFFAOYSA-N,"InChI=1S/C18H12N2O2/c21-20-16-11-18(22-17-6-2-1-5-14(16)17)13-7-8-15-12(10-13)4-3-9-19-15/h1-11,21H","""AuxInfo=1/0/N:20,21,12,13,19,22,7,8,11,15,4,14,6,18,9,3,17,5,10,2,1,16/rA:22ONCCCCCCCNCCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-UWUIVVCHGRIVSE_on_P14867_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-UWUIVVCHGRIVSE_on_P18507_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681641;CHEMBL681405;CHEMBL682253;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.620;  7.410;  7.550;  8.850,7.857,0.578,0.33399999999999996,4.0,7.585,0.105
-UWUIVVCHGRIVSE_on_P28472_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339;CHEMBL681641;CHEMBL682253;CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.850;  7.620;  7.550;  7.410,7.857,0.578,0.33399999999999996,4.0,7.585,0.105
-UWUIVVCHGRIVSE_on_P31644_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-UWUIVVCHGRIVSE_on_P34903_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-UWUIVVCHGRIVSE_on_P47869_WT,Low,ChEMBL30,CHEMBL73486,CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1,UWUIVVCHGRIVSE,UWUIVVCHGRIVSE-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,12,20,13,23,4,22,5,7,16,17,8,10,2,18,11,6,21,14,15,9/E:(1,2)/rA:23CCCCCOCCSCNCCSSCCNCCSCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;d19;s17s20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-UWXAQZGCSSYTJL_on_P14867_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.290,9.29,0.0,0.0,1.0,9.29,0.0
-UWXAQZGCSSYTJL_on_P18507_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.150;  9.290;  9.660;  9.770,9.467,0.255,0.147,4.0,9.475,0.24
-UWXAQZGCSSYTJL_on_P28472_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.770;  9.660;  9.290;  9.150,9.467,0.255,0.147,4.0,9.475,0.24
-UWXAQZGCSSYTJL_on_P31644_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-UWXAQZGCSSYTJL_on_P34903_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.660,9.66,0.0,0.0,1.0,9.66,0.0
-UWXAQZGCSSYTJL_on_P47869_WT,Low,ChEMBL30,CHEMBL299210,Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2,UWXAQZGCSSYTJL,UWXAQZGCSSYTJL-UHFFFAOYSA-N,"InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,14,18,27,24,4,3,7,13,22,23,6,12,21,9,5,19,20,10,2,11,8/E:(3,4)(7,8)/rA:27CNCCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-UWXNJOLTSYOLIS_on_P31644_WT,High,ChEMBL30,CHEMBL3681607,O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,UWXNJOLTSYOLIS,UWXNJOLTSYOLIS-UHFFFAOYSA-N,"InChI=1S/C18H13F4N3O3/c19-14-4-1-11(2-5-14)16-13(9-28-25-16)8-27-15-6-3-12(7-23-15)17(26)24-10-18(20,21)22/h1-7,9H,8,10H2,(H,24,26)","""AuxInfo=1/1/N:21,26,10,22,25,11,28,14,16,4,20,9,15,23,12,19,2,5,24,6,7,8,27,3,18,1,13,17/E:(1,2)(4,5)(20,21,22)/rA:28OCNCCFFFCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-UWYHWNJXCVWKRM_on_P41594_WT,Low,ChEMBL30,CHEMBL3597589,Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)n1,UWYHWNJXCVWKRM,UWYHWNJXCVWKRM-UHFFFAOYSA-N,"InChI=1S/C23H22N4O3/c1-17-10-11-21(27(29)30)22(24-17)25-12-14-26(15-13-25)23(28)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3","""AuxInfo=1/0/N:1,24,23,25,18,22,26,19,17,3,4,11,29,12,28,27,2,21,20,16,5,9,14,30,10,13,6,15,7,8/E:(3,4)(6,7)(12,13)(14,15)(29,30)/CRV:27.5/rA:30CCCCCN+OO-CNCCNCOCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;s16d20;s13;s10s28;s2d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UXACSAKKMWLIIJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198988,c1ccc2c(c1)[nH]c1c2cc[n+](CCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1,UXACSAKKMWLIIJ,UXACSAKKMWLIIJ-UHFFFAOYSA-P,"InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2","""AuxInfo=1/5/N:2,26,1,25,14,3,27,6,24,10,20,13,15,11,21,29,17,4,22,9,19,5,23,8,18,7,28,12,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/rA:29CCCCCCNCCCCN+CCCN+CCCCCCCCCCCNC/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.610;  4.760,4.685,0.075,0.075,2.0,4.685,0.075
-UXACSAKKMWLIIJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198988,c1ccc2c(c1)[nH]c1c2cc[n+](CCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1,UXACSAKKMWLIIJ,UXACSAKKMWLIIJ-UHFFFAOYSA-P,"InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2","""AuxInfo=1/5/N:2,26,1,25,14,3,27,6,24,10,20,13,15,11,21,29,17,4,22,9,19,5,23,8,18,7,28,12,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/rA:29CCCCCCNCCCCN+CCCN+CCCCCCCCCCCNC/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.610,4.61,0.0,0.0,1.0,4.61,0.0
-UXACSAKKMWLIIJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198988,c1ccc2c(c1)[nH]c1c2cc[n+](CCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1,UXACSAKKMWLIIJ,UXACSAKKMWLIIJ-UHFFFAOYSA-P,"InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2","""AuxInfo=1/5/N:2,26,1,25,14,3,27,6,24,10,20,13,15,11,21,29,17,4,22,9,19,5,23,8,18,7,28,12,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/rA:29CCCCCCNCCCCN+CCCN+CCCCCCCCCCCNC/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s19;d22;s23;d24;s25;s22d26;s18s23;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-UXBYKUXVPASURW_on_P18507_WT,Low,ChEMBL30,CHEMBL236471,CCCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UXBYKUXVPASURW,UXBYKUXVPASURW-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-UXBYKUXVPASURW_on_P28472_WT,High,ChEMBL30,CHEMBL236471,CCCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UXBYKUXVPASURW,UXBYKUXVPASURW-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  8.710,8.71,0.0,0.0,1.0,8.71,0.0
-UXBYKUXVPASURW_on_P47869_WT,Low,ChEMBL30,CHEMBL236471,CCCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UXBYKUXVPASURW,UXBYKUXVPASURW-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-UXBYKUXVPASURW_on_P47870_WT,Low,ChEMBL30,CHEMBL236471,CCCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,UXBYKUXVPASURW,UXBYKUXVPASURW-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,6,2,3,11,17,5,12,9,18,4,8,13,10,19,14,15,16,21,20,7/E:(5,6)(9,10)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s5;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.490,6.49,0.0,0.0,1.0,6.49,0.0
-UXDCBZMQXHZPQE_on_P18507_WT,Low,ChEMBL30,CHEMBL1078607,Cc1c2Cn3ncnc3-c3c(ccc(C(F)(F)F)c3)-n2cn1,UXDCBZMQXHZPQE,UXDCBZMQXHZPQE-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5/c1-8-12-5-22-13(18-6-20-22)10-4-9(14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,15,16,17,18,8,22,6,20,5/E:(15,16,17)/rA:22CCCCNNCNCCCCCCCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-UXDCBZMQXHZPQE_on_P28472_WT,Low,ChEMBL30,CHEMBL1078607,Cc1c2Cn3ncnc3-c3c(ccc(C(F)(F)F)c3)-n2cn1,UXDCBZMQXHZPQE,UXDCBZMQXHZPQE-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5/c1-8-12-5-22-13(18-6-20-22)10-4-9(14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,15,16,17,18,8,22,6,20,5/E:(15,16,17)/rA:22CCCCNNCNCCCCCCCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-UXDCBZMQXHZPQE_on_P31644_WT,Low,ChEMBL30,CHEMBL1078607,Cc1c2Cn3ncnc3-c3c(ccc(C(F)(F)F)c3)-n2cn1,UXDCBZMQXHZPQE,UXDCBZMQXHZPQE-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5/c1-8-12-5-22-13(18-6-20-22)10-4-9(14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,19,4,7,21,2,14,10,11,3,9,15,16,17,18,8,22,6,20,5/E:(15,16,17)/rA:22CCCCNNCNCCCCCCCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s15;s10d14;s3s11;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-UXDQVTXVAKRPDF_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3133882;76332991,O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(I)cc2)N1,UXDQVTXVAKRPDF,UXDQVTXVAKRPDF-UHFFFAOYSA-N,"InChI=1S/C18H13IN4O/c19-13-4-5-15-17(9-13)22-18(24)10-16(21-15)12-2-1-3-14(8-12)23-7-6-20-11-23/h1-9,11H,10H2,(H,22,24)","""AuxInfo=1/1/N:7,6,8,22,23,12,11,15,19,3,14,5,20,9,17,4,18,2,21,13,16,24,10,1/rA:24OCCCCCCCCNCCNCCNCCCCICCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s10d13;s5d9;w?4;s16;d17;s18;d19;s20;s20;s17d22;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3137095;PubChemAID:1077552,DOI:10.1039/C3MD00110E,2013.0,DOI:10.1039/C3MD00110E;PubChemAID:1077552,2013;2014,1;0,0,0,0,0;1,,=,  7.050;  7.051,7.05,0.001,0.001,2.0,7.05,0.001
-UXDSKMZZDCGOBW_on_P41594_WT,High,ChEMBL30,CHEMBL3735325,Fc1ccc(-c2noc(C3CCc4c(C3)nnn4C3CCCC3)n2)cc1,UXDSKMZZDCGOBW,UXDSKMZZDCGOBW-UHFFFAOYSA-N,"InChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2","""AuxInfo=1/0/N:21,22,20,23,4,25,11,3,26,12,15,5,10,2,19,14,13,6,9,1,24,16,7,17,18,8/E:(1,2)(3,4)(5,6)(8,9)/rA:26FCCCCCNOCCCCCCCNNNCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s10s14;s14;d16;s13s17;s18;s19;s20;s21;s19s22;s6d9;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  7.500;  6.400,6.95,0.55,0.55,2.0,6.95,0.55
-UXGSXTOQKTZHFK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946509,CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1,UXGSXTOQKTZHFK,UXGSXTOQKTZHFK-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O/c1-26-8-10-27(11-9-26)14-15-2-7-18-19(16-3-5-17(23)6-4-16)13-21(22(24)28)25-20(18)12-15/h2-7,12-13H,8-11,14H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,8,13,18,14,17,9,3,28,4,27,26,19,6,7,12,15,10,11,25,20,21,16,22,24,2,5,23/E:(3,4)(5,6)(8,9)(10,11)/rA:28CNCCNCCCCCCCCCCFCCCCCNONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-UXJDEKUGJUQMDW_on_Q13224_WT,Medium,ChEMBL30,CHEMBL161977,N=C(NCc1ccccc1)c1ccc(Cl)cc1,UXJDEKUGJUQMDW,UXJDEKUGJUQMDW-UHFFFAOYSA-N,"InChI=1S/C14H13ClN2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17)","""AuxInfo=1/1/N:8,7,9,6,10,12,17,13,16,4,5,11,14,2,15,1,3/E:(2,3)(4,5)(6,7)(8,9)/rA:17NCNCCCCCCCCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  6.140;  6.010,6.075,0.065,0.065,2.0,6.075,0.065
-UXKSQZZBCSFGQA_on_O15303_WT,Low,ChEMBL30,CHEMBL3805203,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2,UXKSQZZBCSFGQA,UXKSQZZBCSFGQA-UHFFFAOYSA-N,"InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,16,21,26,6,20,17,25,11,14,12,23,3,7,13,29,28,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UXKSQZZBCSFGQA_on_P41594_WT,Low,ChEMBL30,CHEMBL3805203,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2,UXKSQZZBCSFGQA,UXKSQZZBCSFGQA-UHFFFAOYSA-N,"InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,16,21,26,6,20,17,25,11,14,12,23,3,7,13,29,28,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UXKSQZZBCSFGQA_on_Q14416_WT,High,ChEMBL30,CHEMBL3805203,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2,UXKSQZZBCSFGQA,UXKSQZZBCSFGQA-UHFFFAOYSA-N,"InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,16,21,26,6,20,17,25,11,14,12,23,3,7,13,29,28,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807551;CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.200;  7.540,6.87,0.67,0.67,2.0,6.87,0.67
-UXKSQZZBCSFGQA_on_Q14832_WT,Low,ChEMBL30,CHEMBL3805203,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2,UXKSQZZBCSFGQA,UXKSQZZBCSFGQA-UHFFFAOYSA-N,"InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,16,21,26,6,20,17,25,11,14,12,23,3,7,13,29,28,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UXKSQZZBCSFGQA_on_Q14833_WT,Low,ChEMBL30,CHEMBL3805203,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2,UXKSQZZBCSFGQA,UXKSQZZBCSFGQA-UHFFFAOYSA-N,"InChI=1S/C21H27N7O2S/c1-21(2,3)12-28-16-7-8-17(22-18(16)25(4)20(28)30)26-9-14-6-5-13(26)10-27(14)19(29)15-11-31-24-23-15/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,30,16,21,26,6,20,17,25,11,14,12,23,3,7,13,29,28,2,15,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCNCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-UXLUNMKSQUMWLH_on_P41594_WT,High,ChEMBL30,CHEMBL3951341,N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1,UXLUNMKSQUMWLH,UXLUNMKSQUMWLH-UHFFFAOYSA-N,"InChI=1S/C23H14ClF3N4/c24-17-9-8-14(10-16(17)23(25,26)27)21-19-18(12-6-7-12)15(11-28)20(29-22(19)31-30-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,29,30,31)","""AuxInfo=1/1/N:29,28,30,27,31,6,7,20,19,11,2,5,26,10,3,12,17,4,8,25,9,23,13,18,14,15,16,1,24,21,22/E:(2,3)(4,5)(6,7)(25,26,27)/rA:31NCCCCCCCCCCCCFFFCClCCNNCNCCCCCCC/rB:t1;s2;d3;s4;s5;s5s6;s4;d8;s9;d10;s11;s12;s13;s13;s13;d12;s17;s17;s10d19;s9;s21;s8d22;s23;s3d24;s25;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-UXNRHIJPZNNDDJ_on_O15303_WT,High,ChEMBL30,CHEMBL4081453,COc1cc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)ccc1,UXNRHIJPZNNDDJ,UXNRHIJPZNNDDJ-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,4,10,5,3,9,21,17,16,6,18,13,11,12,8,7,19,20,14,15,2/E:(20,21)(22,23)/rA:24COCCCCONCCCNCOOCCCOOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4023242,PMID:29350927,2018.0,PMID:29350927,2018,0,1,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-UXNRHIJPZNNDDJ_on_Q14416_WT,High,ChEMBL30,CHEMBL4081453,COc1cc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)ccc1,UXNRHIJPZNNDDJ,UXNRHIJPZNNDDJ-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,4,10,5,3,9,21,17,16,6,18,13,11,12,8,7,19,20,14,15,2/E:(20,21)(22,23)/rA:24COCCCCONCCCNCOOCCCOOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217;CHEMBL4023232,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0;1,0,0;1;0,0,,=,  7.320;  6.380;  6.560,6.752999999999999,0.40700000000000003,0.28800000000000003,3.0,6.56,0.18
-UXNRHIJPZNNDDJ_on_Q14832_WT,High,ChEMBL30,CHEMBL4081453,COc1cc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)ccc1,UXNRHIJPZNNDDJ,UXNRHIJPZNNDDJ-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,4,10,5,3,9,21,17,16,6,18,13,11,12,8,7,19,20,14,15,2/E:(20,21)(22,23)/rA:24COCCCCONCCCNCOOCCCOOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023234;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1;1,0,1;0;0,0,,=,  9.030;  7.940;  9.330,8.767000000000001,0.597,0.42200000000000004,3.0,9.03,0.3
-UXNRHIJPZNNDDJ_on_Q14833_WT,High,ChEMBL30,CHEMBL4081453,COc1cc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)ccc1,UXNRHIJPZNNDDJ,UXNRHIJPZNNDDJ-UHFFFAOYSA-N,"InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,4,10,5,3,9,21,17,16,6,18,13,11,12,8,7,19,20,14,15,2/E:(20,21)(22,23)/rA:24COCCCCONCCCNCOOCCCOOCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s11;d13;s13;s11;s16;s17;d18;s18;s9s16s17;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4023237,PMID:29350927,2018.0,PMID:29350927,2018,0,1,0,0,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-UXPQQVSENMCBJK_on_P14867_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-UXPQQVSENMCBJK_on_P18507_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.760;  7.840;  6.500;  8.620,7.68,0.76,0.439,4.0,7.8,0.43
-UXPQQVSENMCBJK_on_P28472_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.760;  8.620;  6.500;  7.840,7.68,0.76,0.439,4.0,7.8,0.43
-UXPQQVSENMCBJK_on_P31644_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-UXPQQVSENMCBJK_on_P34903_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-UXPQQVSENMCBJK_on_P47869_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-UXPQQVSENMCBJK_on_Q16445_WT,Low,ChEMBL30,CHEMBL177076,COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1,UXPQQVSENMCBJK,UXPQQVSENMCBJK-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,21-22H,2-6H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,21,22,12,24,7,15,13,11,23,10,5,8,3,6,14,9,4,2/E:(3,4)(5,6)/rA:24COCOCNCCNCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s15s19;s13;s10d21;s8s11;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-UXTSHAUWARJBFB_on_P41594_WT,High,ChEMBL30,CHEMBL255205,CC(=O)Nc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1,UXTSHAUWARJBFB,UXTSHAUWARJBFB-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O/c1-12-10-25-11-15(19(20,21)22)9-18(25)17(23-12)7-6-14-4-3-5-16(8-14)24-13(2)26/h3-5,8-11H,1-2H3,(H,24,26)","""AuxInfo=1/1/N:15,1,7,8,6,10,11,26,24,16,18,14,2,9,19,5,12,25,20,21,22,23,13,4,17,3/E:(20,21,22)/rA:26CCONCCCCCCCCNCCCNCCCFFFCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;s14;d14;s16;s17;d18;s19;s20;s20;s20;s19;s12s17d24;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-UXUVGRIWXKTZRD_on_Q13255_WT,High,ChEMBL30,CHEMBL3785990,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C(F)(F)F)C3=O)cc2)occ1,UXUVGRIWXKTZRD,UXUVGRIWXKTZRD-UHFFFAOYSA-N,"InChI=1S/C21H14ClF3N2O3/c1-11-7-8-30-18(11)19(28)26-12-5-6-17(16(22)9-12)27-10-14-13(20(27)29)3-2-4-15(14)21(23,24)25/h2-9H,10H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,17,16,18,27,26,30,29,8,13,2,7,15,14,19,9,11,3,4,24,20,10,21,22,23,6,12,5,25,28/E:(23,24,25)/rA:30CCCCONCCCClCNCCCCCCCCFFFCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s20;s12s15;d24;s11;s7d26;s3;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.950;  5.940,5.945,0.005,0.005,2.0,5.945,0.005
-UXZWCMZNERUUGD_on_P14867_WT,Low,ChEMBL30,CHEMBL53977,c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,UXZWCMZNERUUGD,UXZWCMZNERUUGD-UHFFFAOYSA-N,InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H,"""AuxInfo=1/0/N:13,1,12,14,2,26,23,22,11,15,3,25,24,21,10,4,19,20,9,18,6,16,17,7,8,5/E:(3,4)(5,6)(9,10)(11,12)/rA:26CCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UXZWCMZNERUUGD_on_P31644_WT,Low,ChEMBL30,CHEMBL53977,c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,UXZWCMZNERUUGD,UXZWCMZNERUUGD-UHFFFAOYSA-N,InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H,"""AuxInfo=1/0/N:13,1,12,14,2,26,23,22,11,15,3,25,24,21,10,4,19,20,9,18,6,16,17,7,8,5/E:(3,4)(5,6)(9,10)(11,12)/rA:26CCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UXZWCMZNERUUGD_on_P34903_WT,Low,ChEMBL30,CHEMBL53977,c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,UXZWCMZNERUUGD,UXZWCMZNERUUGD-UHFFFAOYSA-N,InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H,"""AuxInfo=1/0/N:13,1,12,14,2,26,23,22,11,15,3,25,24,21,10,4,19,20,9,18,6,16,17,7,8,5/E:(3,4)(5,6)(9,10)(11,12)/rA:26CCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UXZWCMZNERUUGD_on_P47869_WT,Low,ChEMBL30,CHEMBL53977,c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,UXZWCMZNERUUGD,UXZWCMZNERUUGD-UHFFFAOYSA-N,InChI=1S/C21H14N4O/c1-3-9-15(10-4-1)19-22-23-20-17-13-7-8-14-18(17)21(24-25(19)20)26-16-11-5-2-6-12-16/h1-14H,"""AuxInfo=1/0/N:13,1,12,14,2,26,23,22,11,15,3,25,24,21,10,4,19,20,9,18,6,16,17,7,8,5/E:(3,4)(5,6)(9,10)(11,12)/rA:26CCCCOCNNCCCCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s8d17;s18;s6d19;s20;d21;s22;s19d23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-UYGDCIXFYIWDMR_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1698322;45110765,O=C(Nc1cc(Cl)c(N2C(=O)CC(c3ccccc3)C2=O)cc1)c1ccccn1,UYGDCIXFYIWDMR,UYGDCIXFYIWDMR-UHFFFAOYSA-N,"InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-12,16H,13H2,(H,25,28)","""AuxInfo=1/1/N:17,16,18,26,27,15,19,25,23,22,28,5,12,14,4,13,6,24,8,10,2,20,7,29,3,9,11,1,21/E:(2,3)(6,7)/rA:29OCNCCCClCNCOCCCCCCCCCOCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s9s13;d20;s8;s4d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408,2011;2012,0,1;0,0,0,0;1,,=,  6.170;  6.171,6.171,0.0,0.0,2.0,6.171,0.001
-UYHDNAKZDXNCHU_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198977,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,UYHDNAKZDXNCHU,UYHDNAKZDXNCHU-UHFFFAOYSA-P,"InChI=1S/C33H36N4/c1(2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36)3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37/h8-11,14-19,22-25H,1-7,12-13,20-21H2/p+2","""AuxInfo=1/5/N:16,15,17,14,18,13,19,6,32,1,31,12,20,5,33,2,30,36,26,11,21,35,27,9,23,4,28,7,25,3,29,8,24,37,34,10,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/rA:37CCCCCCCCCN+CCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s25;d28;s29;d30;s31;s28d32;s24s29;s10;s7d35;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.290;  4.970,5.13,0.16,0.16,2.0,5.13,0.16
-UYHDNAKZDXNCHU_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198977,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,UYHDNAKZDXNCHU,UYHDNAKZDXNCHU-UHFFFAOYSA-P,"InChI=1S/C33H36N4/c1(2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36)3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37/h8-11,14-19,22-25H,1-7,12-13,20-21H2/p+2","""AuxInfo=1/5/N:16,15,17,14,18,13,19,6,32,1,31,12,20,5,33,2,30,36,26,11,21,35,27,9,23,4,28,7,25,3,29,8,24,37,34,10,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/rA:37CCCCCCCCCN+CCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s25;d28;s29;d30;s31;s28d32;s24s29;s10;s7d35;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.290,5.29,0.0,0.0,1.0,5.29,0.0
-UYHDNAKZDXNCHU_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198977,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,UYHDNAKZDXNCHU,UYHDNAKZDXNCHU-UHFFFAOYSA-P,"InChI=1S/C33H36N4/c1(2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36)3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37/h8-11,14-19,22-25H,1-7,12-13,20-21H2/p+2","""AuxInfo=1/5/N:16,15,17,14,18,13,19,6,32,1,31,12,20,5,33,2,30,36,26,11,21,35,27,9,23,4,28,7,25,3,29,8,24,37,34,10,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/rA:37CCCCCCCCCN+CCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s25;d28;s29;d30;s31;s28d32;s24s29;s10;s7d35;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-UYHZMAIUTCWLGR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2022163;51039057,CN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,UYHZMAIUTCWLGR,UYHZMAIUTCWLGR-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-4,7H,5-6H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,15,16,14,4,3,19,17,13,5,8,10,18,12,7,9,2,6,11/rA:19CNCCCONCNCONCCCCCClC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194;PubChemAID:658105,PMID:22523618,2011.0,PMID:22523618;PubChemAID:658105,2011;2013,1;0,0,0,0,0;1,,=,  7.300;  7.301,7.3,0.001,0.001,2.0,7.3,0.001
-UYJGDEQPQQGIHI_on_O00591_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_O14764_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P14867_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P18505_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P18507_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P28472_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P31644_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P34903_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P47869_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P47870_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P48169_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_P78334_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_Q16445_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYJGDEQPQQGIHI_on_Q99928_WT,Low,ChEMBL30,CHEMBL278470,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,UYJGDEQPQQGIHI,UYJGDEQPQQGIHI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23)17(24)20-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,24)","""AuxInfo=1/1/N:12,20,19,11,6,23,4,16,5,21,24,15,18,9,7,13,2,22,17,3,10,8,14,1/rA:24OCNCCCCOCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-UYNVMODNBIQBMV_on_O15399_WT,High,ChEMBL30,CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309001,PMID:12617901,2003.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.120,4.12,0.0,0.0,1.0,4.12,0.0
-UYNVMODNBIQBMV_on_O60391_WT,Low,ChEMBL30,CHEMBL49623,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-UYNVMODNBIQBMV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL49623,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-UYNVMODNBIQBMV_on_Q05586_WT,Low,ChEMBL30,CHEMBL305187;CHEMBL305187;CHEMBL305187;CHEMBL319706;CHEMBL49623;CHEMBL319706;CHEMBL305187;CHEMBL305187;CHEMBL305187;CHEMBL305187;CHEMBL319706;CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1803132;CHEMBL1225538;CHEMBL2343349;CHEMBL3737384;CHEMBL751683;CHEMBL3757723;CHEMBL1292494;CHEMBL933581;CHEMBL1805126;CHEMBL1803134;CHEMBL4045543;CHEMBL4274851,PMID:12617901,2003.0,PMID:21453995;PMID:20692832;PMID:23458846;PMID:26531150;PMID:12617901;PMID:26750254;PMID:20965739;PMID:18434149;PMID:21453995;PMID:21453995;PMID:28797770;PMID:30103189,2011;2010;2013;2015;2003;2016;2010;2008;2011;2011;2017;2018,1;1;1;1;0;0;0;1;1;1;0;0,0,0,0;0;0;0;1;1;1;0;0;0;1;1,0,,=,  6.470;  6.720;  6.470;  7.880;  7.890;  8.000;  8.000;  6.960;  6.750;  7.180;  8.000;  8.000,7.36,0.629,0.19,12.0,7.53,0.47
-UYNVMODNBIQBMV_on_Q12879_WT,High,ChEMBL30,CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4308998,PMID:12617901,2003.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.400,4.4,0.0,0.0,1.0,4.4,0.0
-UYNVMODNBIQBMV_on_Q13224_WT,High,ChEMBL30,CHEMBL49623;CHEMBL49623;CHEMBL113830;CHEMBL319706;CHEMBL493054;CHEMBL493054;CHEMBL319706;CHEMBL113830;CHEMBL319706;CHEMBL305187;CHEMBL305187;CHEMBL49623;CHEMBL305187;CHEMBL113830;CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4713189;CHEMBL4713195;CHEMBL4713195;CHEMBL4713189;CHEMBL4713195;CHEMBL4713189;CHEMBL4713195;CHEMBL4713189;CHEMBL3804512;CHEMBL3108300;CHEMBL4308999;CHEMBL4396319;CHEMBL4480645;CHEMBL4349901;CHEMBL4615566,PMID:12639561,2003.0,PMID:33426889;PMID:33426889;PMID:33426889;PMID:33426889;PMID:33426889;PMID:33426889;PMID:33426889;PMID:33426889;PMID:27061977;PMID:24411196;PMID:29446949;PMID:31129453;PMID:30881618;PMID:31255496;PMID:32435366,2021;2021;2021;2021;2021;2021;2021;2021;2016;2014;2018;2019;2019;2019;2020,0;1;1;0;1;0;1;0;0;1;1;0;1;0;0,0,0;0;0;0;0;0;0;0;0;0;0;1;0;0;0,1;0;0;1;0;1;0;1;1;0;0;0;0;1;1,0,,=,  7.840;  6.700;  6.160;  7.870;  6.660;  8.240;  6.280;  8.110;  8.000;  7.700;  6.960;  8.120;  7.880;  8.000;  8.000,7.501,0.703,0.188,15.0,7.87,0.24
-UYNVMODNBIQBMV_on_Q14957_WT,High,ChEMBL30,CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,UYNVMODNBIQBMV,UYNVMODNBIQBMV-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,6,11,7,10,14,23,13,24,16,2,17,15,5,8,3,12,9,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCOCCCCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;s3;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309000,PMID:12617901,2003.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-UYPWOMKFYXODIW_on_P14867_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.770;  7.770,7.77,0.0,0.0,2.0,7.77,0.0
-UYPWOMKFYXODIW_on_P18507_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL683047;CHEMBL822165;CHEMBL685338;CHEMBL824296;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;2000;1998;1998;1998;1998;1998,0,0,0,1,0,,=,  7.510;  8.600;  7.300;  7.470;  7.770;  7.510;  7.770;  8.600;  7.470;  7.300,7.73,0.46,0.153,10.0,7.51,0.21
-UYPWOMKFYXODIW_on_P28472_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL683047;CHEMBL685338;CHEMBL822165;CHEMBL824296;CHEMBL823916;CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,2000;1998;1998;1998;1998;1998;2000;2000;2000;2000,0,0,0,1,0,,=,  7.300;  7.510;  8.600;  7.770;  7.470;  7.300;  7.470;  7.770;  8.600;  7.510,7.73,0.46,0.153,10.0,7.51,0.21
-UYPWOMKFYXODIW_on_P31644_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.600;  8.600,8.6,0.0,0.0,2.0,8.6,0.0
-UYPWOMKFYXODIW_on_P34903_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.300;  7.300,7.3,0.0,0.0,2.0,7.3,0.0
-UYPWOMKFYXODIW_on_P47869_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.470;  7.470,7.47,0.0,0.0,2.0,7.47,0.0
-UYPWOMKFYXODIW_on_Q16445_WT,Low,ChEMBL30,CHEMBL6814,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O,UYPWOMKFYXODIW,UYPWOMKFYXODIW-UHFFFAOYSA-N,"InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,23,24,18,3,14,21,19,17,16,4,5,25,6,9,13,20,2,15,26,7,8,22/E:(1,2,3)/rA:26CNCCCCOOCCCCNCNCCCCNCSCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;d20;d21;s19;s16d23;s2s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-UYSGURGLVFIRCO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113756,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1OC(F)F,UYSGURGLVFIRCO,UYSGURGLVFIRCO-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-7-15(8-16(10-24)28-13)21-18-5-6-32-17(11-25)12-30(18)22(29-21)14-3-4-19(33-23(26)27)20(9-14)31-2/h3-4,7-9,17,23H,5-6,10-12H2,1-2H3","""AuxInfo=1/0/N:12,1,27,28,19,20,10,17,4,15,23,25,11,5,9,14,22,18,29,3,8,6,31,16,24,32,33,13,7,26,2,21,30/E:(26,27)/rA:33COCCCCNCCCCCNCCFCCCCOCCFCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s23;s22;s6s18s25;d5;s27;s3d28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-UYSNCZHSYFZFQK_on_Q14833_WT,High,ChEMBL30,CHEMBL540427,COc1c(Cl)ccc(NC(=O)c2ccccn2)n1,UYSNCZHSYFZFQK,UYSNCZHSYFZFQK-UHFFFAOYSA-N,"InChI=1S/C12H10ClN3O2/c1-18-12-8(13)5-6-10(16-12)15-11(17)9-4-2-3-7-14-9/h2-7H,1H3,(H,15,16,17)","""AuxInfo=1/1/N:1,14,15,13,6,7,16,4,12,8,10,3,5,17,9,18,11,2/rA:18COCCClCCCNCOCCCCCNN/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1614219,PMID:19469556,2009.0,PubChemAID:2807,2010,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-UYSPWDIBPAFMAF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3959843,Fc1ccc(Cl)cc1Nc1c2ncccc2n[nH]1,UYSPWDIBPAFMAF,UYSPWDIBPAFMAF-UHFFFAOYSA-N,"InChI=1S/C12H8ClFN4/c13-7-3-4-8(14)10(6-7)16-12-11-9(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)","""AuxInfo=1/1/N:14,15,4,3,13,7,5,2,16,8,11,10,6,1,12,9,17,18/rA:18FCCCCClCCNCCNCCCCNN/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-UYSXHRGCOVIZLX_on_Q12879_WT,Medium,ChEMBL30,CHEMBL151389,Nc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,UYSXHRGCOVIZLX,UYSXHRGCOVIZLX-UHFFFAOYSA-N,"InChI=1S/C17H25N5S/c18-16-19-17(21-20-16)23-12-4-9-22-10-7-15(8-11-22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H3,18,19,20,21)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,23,3,4,10,6/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-UYSXHRGCOVIZLX_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151389,Nc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,UYSXHRGCOVIZLX,UYSXHRGCOVIZLX-UHFFFAOYSA-N,"InChI=1S/C17H25N5S/c18-16-19-17(21-20-16)23-12-4-9-22-10-7-15(8-11-22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H3,18,19,20,21)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,23,3,4,10,6/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-UYSXHRGCOVIZLX_on_Q14957_WT,Low,ChEMBL30,CHEMBL151389,Nc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1,UYSXHRGCOVIZLX,UYSXHRGCOVIZLX-UHFFFAOYSA-N,"InChI=1S/C17H25N5S/c18-16-19-17(21-20-16)23-12-4-9-22-10-7-15(8-11-22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H3,18,19,20,21)","""AuxInfo=1/1/N:18,17,19,8,16,20,12,21,9,11,22,7,14,15,13,2,5,1,23,3,4,10,6/E:(2,3)(5,6)(7,8)(10,11)/rA:23NCNNCSCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-UYYJIRFNGXDWLQ_on_P14867_WT,Low,ChEMBL30,CHEMBL3616634,C=CCc1ccc(OC)c(-c2cc(CC=C)c(O)c(N)c2)c1,UYYJIRFNGXDWLQ,UYYJIRFNGXDWLQ-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;d15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.320;  3.841,4.081,0.24,0.24,2.0,4.081,0.24
-UYYJIRFNGXDWLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL3616634,C=CCc1ccc(OC)c(-c2cc(CC=C)c(O)c(N)c2)c1,UYYJIRFNGXDWLQ,UYYJIRFNGXDWLQ-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;d15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.320;  3.841,4.081,0.24,0.24,2.0,4.081,0.24
-UYYJIRFNGXDWLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL3616634,C=CCc1ccc(OC)c(-c2cc(CC=C)c(O)c(N)c2)c1,UYYJIRFNGXDWLQ,UYYJIRFNGXDWLQ-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;d15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.320;  3.841,4.081,0.24,0.24,2.0,4.081,0.24
-UYZCPSADODKMEY_on_O15399_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_O60391_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZCPSADODKMEY_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365776,CC(C)c1ccc(C=NN=C(N)N)cc1,UYZCPSADODKMEY,UYZCPSADODKMEY-UHFFFAOYSA-N,"InChI=1S/C11H16N4/c1-8(2)10-5-3-9(4-6-10)7-14-15-11(12)13/h3-8H,1-2H3,(H4,12,13,15)","""AuxInfo=1/1/N:1,3,6,14,5,15,8,2,7,4,11,12,13,9,10/E:(1,2)(3,4)(5,6)(12,13)/rA:15CCCCCCCCNNCNNCC/rB:s1;s2;s2;d4;s5;d6;s7;w?8;s9;w?10;s11;s11;s7;s4d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.220,5.22,0.0,0.0,1.0,5.22,0.0
-UYZKWRHTYCCDMP_on_O15399_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_O60391_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_Q05586_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_Q12879_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_Q13224_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UYZKWRHTYCCDMP_on_Q14957_WT,Low,ChEMBL30,CHEMBL1179013,N=C(N)NN=Cc1ccc(Cl)cc1,UYZKWRHTYCCDMP,UYZKWRHTYCCDMP-UHFFFAOYSA-N,"InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:8,13,9,12,6,7,10,2,11,1,3,5,4/E:(1,2)(3,4)(10,11)/rA:13NCNNNCCCCCClCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-UZANKOYYAFZFOW_on_Q14833_WT,High,ChEMBL30,CHEMBL1209521,Nc1ncc(Br)c(C=Cc2ccccc2)n1,UZANKOYYAFZFOW,UZANKOYYAFZFOW-UHFFFAOYSA-N,"InChI=1S/C12H10BrN3/c13-10-8-15-12(14)16-11(10)7-6-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)","""AuxInfo=1/1/N:13,12,14,11,15,9,8,4,10,5,7,2,6,1,3,16/E:(2,3)(4,5)/rA:16NCNCCBrCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s5;s7;w?8;s9;d10;s11;d12;s13;s10d14;s2d7;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-UZAUMESPFVXBPT_on_P41594_WT,Medium,ChEMBL30,CHEMBL3953159,CN(C(=O)c1ccc(C#Cc2ccnc(Cl)c2)cn1)C(C)(C)C,UZAUMESPFVXBPT,UZAUMESPFVXBPT-UHFFFAOYSA-N,"InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)15-8-7-14(12-21-15)6-5-13-9-10-20-16(19)11-13/h7-12H,1-4H3","""AuxInfo=1/0/N:21,22,23,1,10,9,7,6,12,13,17,18,11,8,5,15,3,20,16,14,19,2,4/E:(1,2,3)/rA:23CNCOCCCCCCCCCNCClCCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888361,PATENT:US9328070B2,2016.0,PATENT:US9328070B2,2016,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-UZCTURIYHIJMQE_on_Q13255_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2418384;CHEMBL2418384;72163720,N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)nccc1,UZCTURIYHIJMQE,UZCTURIYHIJMQE-UHFFFAOYSA-N,"InChI=1S/C23H28N4O/c24-10-18-2-1-3-25-21(18)26-11-19-13-27(14-20(19)12-26)22(28)23-7-15-4-16(8-23)6-17(5-15)9-23/h1-3,15-17,19-20H,4-9,11-14H2","""AuxInfo=1/0/N:27,28,26,15,17,19,21,13,20,2,6,24,8,22,16,14,18,3,7,23,4,10,12,1,25,5,9,11/E:(4,5,6)(7,8,9)(11,12)(13,14)(15,16,17)(19,20)/rA:28NCCCNCCCNCOCCCCCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;s9;s7s22;s5s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151;CHEMBL2421151;PubChemAID:767436,PMID:23932792,2013.0,PMID:23932792;PMID:23932792;PubChemAID:767436,2013;2013;2014,1;1;0,0,0,0,0;0;1,,=,  5.250;  5.250;  5.253,5.251,0.001,0.001,3.0,5.25,0.0
-UZGXLHRQVSILLA_on_P41594_WT,High,ChEMBL30,CHEMBL3634191,CC(=O)N1CCCc2c1oc(COc1ccccc1)n2,UZGXLHRQVSILLA,UZGXLHRQVSILLA-UHFFFAOYSA-N,"InChI=1S/C15H16N2O3/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3","""AuxInfo=1/0/N:1,17,16,18,6,15,19,7,5,12,2,14,8,11,9,20,4,3,13,10/E:(3,4)(6,7)/rA:20CCONCCCCCOCCOCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s8d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.870,5.87,0.0,0.0,1.0,5.87,0.0
-UZKYXZSNVTZQFC_on_P31644_WT,High,ChEMBL30,CHEMBL3686274,O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccccn2)nc1,UZKYXZSNVTZQFC,UZKYXZSNVTZQFC-UHFFFAOYSA-N,"InChI=1S/C17H13F3N4O3/c18-17(19,20)10-23-16(25)11-4-5-14(22-7-11)26-8-12-9-27-24-15(12)13-3-1-2-6-21-13/h1-7,9H,8,10H2,(H,23,25)","""AuxInfo=1/1/N:22,23,21,10,11,24,27,14,16,4,9,15,20,12,19,2,5,6,7,8,25,26,3,18,1,13,17/E:(18,19,20)/rA:27OCNCCFFFCCCCOCCCONCCCCCCNNC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s20d24;s12;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-UZNRTXNWHDCSNN_on_P41594_WT,High,ChEMBL30,CHEMBL364709,C(#Cc1ncccc1)C1=CCNCC1,UZNRTXNWHDCSNN,UZNRTXNWHDCSNN-UHFFFAOYSA-N,"InChI=1S/C12H12N2/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11/h1-3,6,8,13H,7,9-10H2","""AuxInfo=1/0/N:7,6,8,1,2,10,14,5,11,13,9,3,12,4/rA:14CCCNCCCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-UZPRZZZNQXEIOA_on_P41594_WT,High,ChEMBL30,CHEMBL3966581,N#Cc1c(C2CC(F)(F)C2)c2c(nc1-c1cc(F)ccc1)[nH]nc2-c1cc(Cl)ccc1,UZPRZZZNQXEIOA,UZPRZZZNQXEIOA-UHFFFAOYSA-N,"InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)","""AuxInfo=1/1/N:30,20,31,21,29,19,26,16,6,10,2,25,15,5,27,17,3,4,11,14,24,12,7,28,18,8,9,1,13,23,22/E:(9,10)(26,27)/rA:31NCCCCCCFFCCCNCCCCFCCCNNCCCCClCCC/rB:t1;s2;d3;s4;s5;s6;s7;s7;s5s7;s4;d11;s12;s3d13;s14;d15;s16;s17;d17;s19;s15d20;s12;s22;s11d23;s24;d25;s26;s27;d27;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865452;CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,1;0,0;1,0,0,0,,=,  7.060;  7.150,7.105,0.045,0.045,2.0,7.105,0.045
-UZSODGXWZNTIPF_on_P18507_WT,Low,ChEMBL30,CHEMBL210510,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1,UZSODGXWZNTIPF,UZSODGXWZNTIPF-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-UZSODGXWZNTIPF_on_P28472_WT,Low,ChEMBL30,CHEMBL210510,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1,UZSODGXWZNTIPF,UZSODGXWZNTIPF-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-UZSODGXWZNTIPF_on_P34903_WT,Low,ChEMBL30,CHEMBL210510,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1,UZSODGXWZNTIPF,UZSODGXWZNTIPF-UHFFFAOYSA-N,"InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-6-2-4-8-15(13)22)17-10-25-27-20(30(17)28-21)14-7-3-5-9-16(14)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,30,15,29,16,31,14,28,17,22,7,4,25,13,26,18,23,6,24,12,9,27,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCFCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s26;d28;s29;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-UZTDYJVVVFMAQX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971819,CCC(O)(c1nn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F,UZTDYJVVVFMAQX,UZTDYJVVVFMAQX-UHFFFAOYSA-N,"InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)20-29-31-32(30-20)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(27)33)28-17(15)9-12/h3-10,34H,2,11H2,1H3,(H2,27,33)","""AuxInfo=1/1/N:1,2,10,15,20,16,19,11,28,21,8,9,14,17,12,13,27,22,23,5,3,31,18,32,33,34,24,26,30,6,29,7,25,4/E:(4,5)(6,7)(24,25,26)/rA:34CCCOCNNCCCCCCCCCCFCCCCCNONCCNNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s5d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-UZVVAWXRKCKWPU_on_Q14833_WT,High,ChEMBL30,CHEMBL1921950,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncncc1,UZVVAWXRKCKWPU,UZVVAWXRKCKWPU-UHFFFAOYSA-N,"InChI=1S/C17H12N4O5S2/c22-17(14-9-10-18-11-19-14)20-12-5-7-13(8-6-12)21-27(23,24)15-3-1-2-4-16(15)28(21,25)26/h1-11H,(H,20,22)","""AuxInfo=1/1/N:15,16,14,17,5,22,6,21,28,27,25,4,7,23,13,12,2,26,24,3,8,1,19,20,10,11,18,9/E:(1,2)(3,4)(5,6)(7,8)(15,16)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCNCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926,PMID:21966889,2011.0,PMID:21966889,2011,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-UZYNJVPKSVWUKM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3983624,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3(=O)=O)cc2n1,UZYNJVPKSVWUKM,UZYNJVPKSVWUKM-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O3S/c21-15-5-3-14(4-6-15)17-11-19(20(22)25)23-18-10-13(2-7-16(17)18)12-24-8-1-9-28(24,26)27/h2-7,10-11H,1,8-9,12H2,(H2,22,25)","""AuxInfo=1/1/N:21,16,8,13,9,12,15,20,22,26,5,18,17,7,10,14,6,27,4,2,11,1,28,19,3,24,25,23/E:(3,4)(5,6)(26,27)/CRV:28.6/rA:28NCOCCCCCCCFCCCCCCCNCCCSOOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s19s22;d23;d23;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-UZYQEUGKDRXLSA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112680,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(Cl)c3)n2)ccn1,UZYQEUGKDRXLSA,UZYQEUGKDRXLSA-UHFFFAOYSA-N,"InChI=1S/C20H18ClF2N3O/c1-12-8-13(4-6-24-12)19-18-5-7-27-15(10-22)11-26(18)20(25-19)14-2-3-17(23)16(21)9-14/h2-4,6,8-9,15H,5,7,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,25,7,26,8,3,23,11,13,2,4,16,10,21,19,6,5,15,22,12,20,27,24,14,9/rA:27CCCCCCCCOCCFCNCCCCCFCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s16d21;s5d15;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-VAARLVBAANTQOM_on_O00591_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_O14764_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P14867_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P18505_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P18507_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P28472_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P31644_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P34903_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P47869_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P47870_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P48169_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_P78334_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_Q16445_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VAARLVBAANTQOM_on_Q99928_WT,Low,ChEMBL30,CHEMBL146633,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAARLVBAANTQOM,VAARLVBAANTQOM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-4-1-10(2-5-12)8-19-17(23)16(22)14-9-18-15-6-3-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,24,4,15,5,20,8,25,14,17,12,2,16,3,21,9,13,1,22,23/E:(1,2)(4,5)(24,25)/CRV:20.5/rA:25OCNCCCCCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VACJUKKURQMWHE_on_P14867_WT,Low,ChEMBL30,CHEMBL375742,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,VACJUKKURQMWHE,VACJUKKURQMWHE-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,14,18,25,27,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.640,9.64,0.0,0.0,1.0,9.64,0.0
-VACJUKKURQMWHE_on_P18507_WT,Low,ChEMBL30,CHEMBL375742,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,VACJUKKURQMWHE,VACJUKKURQMWHE-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,14,18,25,27,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919087;CHEMBL919089;CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.640;  9.770;  9.600,9.67,0.073,0.051,3.0,9.64,0.04
-VACJUKKURQMWHE_on_P28472_WT,Low,ChEMBL30,CHEMBL375742,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,VACJUKKURQMWHE,VACJUKKURQMWHE-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,14,18,25,27,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919088;CHEMBL919087;CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.600;  9.640;  9.770,9.67,0.073,0.051,3.0,9.64,0.04
-VACJUKKURQMWHE_on_P34903_WT,Low,ChEMBL30,CHEMBL375742,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,VACJUKKURQMWHE,VACJUKKURQMWHE-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,14,18,25,27,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.770,9.77,0.0,0.0,1.0,9.77,0.0
-VACJUKKURQMWHE_on_P47869_WT,Low,ChEMBL30,CHEMBL375742,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1,VACJUKKURQMWHE,VACJUKKURQMWHE-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,14,18,25,27,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(3,4)(6,7)(8,9)/rA:27CNNCNCCOCNNCCCCCCCNNCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  9.600,9.6,0.0,0.0,1.0,9.6,0.0
-VAELFCASWIMYRF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3982561,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC(F)F)c(Cl)c3)n2)cc(C)n1,VAELFCASWIMYRF,VAELFCASWIMYRF-UHFFFAOYSA-N,"InChI=1S/C22H22ClF2N3O2/c1-13-9-16(10-14(2)26-13)21-18-5-7-29-8-6-28(18)22(27-21)15-3-4-19(17(23)11-15)30-12-20(24)25/h3-4,9-11,20H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,19,2,28,14,4,23,6,17,20,5,13,24,21,22,30,26,12,9,18/E:(1,2)(9,10)(13,14)(24,25)/rA:30CCCCCCCCOCCNCCCCCOCCFFCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s20;s20;s17;s23;s14d23;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-VAEZVMCCCWEXEH_on_O00591_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_O14764_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P14867_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P18505_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P18507_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P28472_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P31644_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P34903_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P47869_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P47870_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P48169_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_P78334_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_Q16445_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAEZVMCCCWEXEH_on_Q99928_WT,Low,ChEMBL30,CHEMBL357164,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12,VAEZVMCCCWEXEH,VAEZVMCCCWEXEH-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,10,11,9,21,18,6,4,15,5,7,22,14,17,12,2,16,3,8,13,1/rA:22OCNCCCCOCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-VAGHOXREOMUCLL_on_P41594_WT,Low,ChEMBL30,CHEMBL2011879,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(C(C)(F)F)cc1,VAGHOXREOMUCLL,VAGHOXREOMUCLL-UHFFFAOYSA-N,"InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)","""AuxInfo=1/1/N:10,1,19,15,23,16,22,8,9,2,14,17,7,13,5,3,18,20,21,4,12,6,11/E:(4,5)(6,7)(18,19)/rA:23CCCNCOCCCCSNCCCCCCCFFCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,<,  4.903,4.9030000000000005,0.0,0.0,1.0,4.9030000000000005,0.0
-VAGHOXREOMUCLL_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67181693;CHEMBL2011879,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(C(C)(F)F)cc1,VAGHOXREOMUCLL,VAGHOXREOMUCLL-UHFFFAOYSA-N,"InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)","""AuxInfo=1/1/N:10,1,19,15,23,16,22,8,9,2,14,17,7,13,5,3,18,20,21,4,12,6,11/E:(4,5)(6,7)(18,19)/rA:23CCCNCOCCCCSNCCCCCCCFFCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s14d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:652689;CHEMBL2016180,PMID:22386665,2012.0,PubChemAID:652689;PMID:22386665,2013;2012,0;1,0,0,0,1;0,,=,  7.174;  7.170,7.172000000000001,0.002,0.002,2.0,7.172000000000001,0.002
-VAIQGSPOCYVKGI_on_P41594_WT,High,ChEMBL30,CHEMBL3655651,CN(c1cccnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1,VAIQGSPOCYVKGI,VAIQGSPOCYVKGI-UHFFFAOYSA-N,"InChI=1S/C19H15N5O/c1-24(17-6-3-7-21-12-17)18-9-16(11-22-13-18)23-19(25)15-5-2-4-14(8-15)10-20/h2-9,11-13H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,5,20,18,4,6,24,25,22,12,8,10,21,17,13,3,9,15,23,7,11,14,2,16/rA:25CNCCCCNCCCNCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;t22;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-VAIVLMATOCWQEC_on_P41594_WT,Low,ChEMBL30,CHEMBL3655636,O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1,VAIVLMATOCWQEC,VAIVLMATOCWQEC-UHFFFAOYSA-N,"InChI=1S/C13H9N5O2S/c19-13(12-6-21-8-17-12)18-9-1-10(3-14-2-9)20-11-4-15-7-16-5-11/h1-8H,(H,18,19)","""AuxInfo=1/1/N:16,5,7,11,15,18,13,20,4,8,10,17,2,6,12,14,21,3,1,9,19/E:(4,5)(15,16)/rA:21OCNCCNCCOCCNCNCCCCSCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VAJLZGPUVKNCRO_on_P14867_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677037,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-VAJLZGPUVKNCRO_on_P18507_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682082;CHEMBL677037;CHEMBL680435;CHEMBL682712,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.700;  8.380;  8.280;  8.550,8.477,0.161,0.09300000000000001,4.0,8.465,0.135
-VAJLZGPUVKNCRO_on_P28472_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682712;CHEMBL680435;CHEMBL677037;CHEMBL682082,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.550;  8.280;  8.380;  8.700,8.477,0.161,0.09300000000000001,4.0,8.465,0.135
-VAJLZGPUVKNCRO_on_P31644_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL682082,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-VAJLZGPUVKNCRO_on_P34903_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680435,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-VAJLZGPUVKNCRO_on_P47869_WT,Low,ChEMBL30,CHEMBL69605,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1,VAJLZGPUVKNCRO,VAJLZGPUVKNCRO-UHFFFAOYSA-N,"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-18-23-24(11)2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:1,23,13,12,14,11,3,19,17,2,18,9,10,4,8,5,15,20,7,6,24,26,21,22,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCNNNCNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;s22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682712,PMID:15084116,2004.0,PMID:15084116,2004,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-VAJZXPZDWFRVPP_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53388194;CHEMBL1830910,COCCOc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,VAJZXPZDWFRVPP,VAJZXPZDWFRVPP-UHFFFAOYSA-N,"InChI=1S/C17H19N5O2S/c1-23-8-9-24-15-7-3-6-14(19-15)20-17-21-16-11-10-18-22-12(11)4-2-5-13(16)25-17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,22)(H,19,20,21)","""AuxInfo=1/1/N:1,15,24,16,14,23,25,3,4,19,18,17,13,8,6,12,10,20,7,9,11,21,2,5,22/rA:25COCCOCNCNCNCCCCCCCCNNSCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s12d17;s18;d19;s17s20;s10s13;d8;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.409;  6.410,6.409,0.001,0.001,2.0,6.409,0.001
-VAMYHVAMPMQJMD_on_Q13255_WT,High,ChEMBL30,CHEMBL3785400,Cc1c(C(=O)Nc2ccc(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1,VAMYHVAMPMQJMD,VAMYHVAMPMQJMD-UHFFFAOYSA-N,"InChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-14-5-7-15(8-6-14)23-11-13-3-2-4-16(21)17(13)20(23)25/h2-10H,11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,20,21,19,8,23,9,22,26,25,12,2,13,7,10,17,14,3,4,15,18,6,11,5,16,24/E:(5,6)(7,8)/rA:26CCCCONCCCCNCCCCOCClCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;s12;d13;s11s14;d15;s14;s17;d17;s19;s13d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.450;  6.450,6.45,0.0,0.0,2.0,6.45,0.0
-VANCKIGJJKJYJE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108571,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(Cl)c3)n2)ccn1,VANCKIGJJKJYJE,VANCKIGJJKJYJE-UHFFFAOYSA-N,"InChI=1S/C20H19ClFN3O/c1-12-9-14(5-7-23-12)19-18-6-8-26-13(2)11-25(18)20(24-19)15-3-4-17(22)16(21)10-15/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,24,7,25,8,3,22,12,2,10,4,15,20,18,6,5,14,21,19,26,23,13,9/rA:26CCCCCCCCOCCCNCCCCCFCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-VAVBWHIBLOPOEM_on_O00591_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_O14764_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P14867_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P18505_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P18507_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P28472_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P31644_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P34903_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P47869_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P47870_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P48169_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_P78334_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_Q16445_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVBWHIBLOPOEM_on_Q99928_WT,Low,ChEMBL30,CHEMBL146761,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,VAVBWHIBLOPOEM,VAVBWHIBLOPOEM-UHFFFAOYSA-N,"InChI=1S/C17H13N3O5/c21-12-3-1-2-10(6-12)8-19-17(23)16(22)14-9-18-15-5-4-11(20(24)25)7-13(14)15/h1-7,9,18,21H,8H2,(H,19,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,24,4,15,5,20,7,25,14,17,12,2,16,3,21,8,13,1,22,23/E:(24,25)/CRV:20.5/rA:25OCNCCCCOCCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;d21;s21;s20;s14s17d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-VAVMFBQBAHTACR_on_P41594_WT,Low,ChEMBL30,CHEMBL202075,Cc1nc(C(=O)Nc2cnccc2)cs1,VAVMFBQBAHTACR,VAVMFBQBAHTACR-UHFFFAOYSA-N,"InChI=1S/C10H9N3OS/c1-7-12-9(6-15-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)","""AuxInfo=1/1/N:1,12,13,11,9,14,2,8,4,5,10,3,7,6,15/rA:15CCNCCONCCNCCCCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s8d12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VAWWXAMUXVYWJP_on_O15399_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_O60391_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_Q05586_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_Q12879_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_Q13224_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAWWXAMUXVYWJP_on_Q14957_WT,Low,ChEMBL30,CHEMBL40708,O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O,VAWWXAMUXVYWJP,VAWWXAMUXVYWJP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-3-1-2-4-5(6(3)11)8(14)7(13-16)9(15)12-4/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:9,8,10,7,14,12,3,15,4,11,13,6,2,16,5,1/rA:16ONCCONCCCCClCClCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d10;s12;s7s12;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-VAZRQUNHPIWREG_on_P41594_WT,High,ChEMBL30,CHEMBL3702398,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)=O)C3=C2)c1,VAZRQUNHPIWREG,VAZRQUNHPIWREG-UHFFFAOYSA-N,"InChI=1S/C22H20N2O3/c1-14(25)17-7-4-8-19-18(17)9-10-24-21(19)12-20(23-13-22(24)26)15-5-3-6-16(11-15)27-2/h3-8,11-12H,9-10,13H2,1-2H3","""AuxInfo=1/0/N:23,1,5,19,6,4,20,18,15,14,27,26,10,22,7,3,21,16,17,8,25,11,9,13,24,12,2/rA:27COCCCCCCNCCONCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;d22;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-VAZRQUNHPIWREG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702398,COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)=O)C3=C2)c1,VAZRQUNHPIWREG,VAZRQUNHPIWREG-UHFFFAOYSA-N,"InChI=1S/C22H20N2O3/c1-14(25)17-7-4-8-19-18(17)9-10-24-21(19)12-20(23-13-22(24)26)15-5-3-6-16(11-15)27-2/h3-8,11-12H,9-10,13H2,1-2H3","""AuxInfo=1/0/N:23,1,5,19,6,4,20,18,15,14,27,26,10,22,7,3,21,16,17,8,25,11,9,13,24,12,2/rA:27COCCCCCCNCCONCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;d22;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-VBAMHCURABVZMJ_on_P34903_WT,Medium,ChEMBL30,CHEMBL149549,CC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,VBAMHCURABVZMJ,VBAMHCURABVZMJ-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O2/c1-10(23)21-7-6-14-12(8-21)16-19-15(9-22(16)17(24)20-14)11-4-2-3-5-13(11)18/h2-5,9H,6-8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,18,17,19,16,6,5,9,20,2,13,8,14,7,12,10,22,15,11,24,4,21,3,23/rA:24CCONCCCCCCNCCCFCCCCCNCON/rB:s1;d2;s2;s4;s5;s6;d7;s4s8;s8;d10;s11;s12;d13;s14;s14;d16;s17;s13d18;d12;s10s20;s21;s22;s7d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-VBCHNUOZQFDEIE_on_P41594_WT,Low,ChEMBL30,CHEMBL512634,Cc1nc(NC(=O)c2ccc(-c3cccc(C#N)c3)cc2)ccc1,VBCHNUOZQFDEIE,VBCHNUOZQFDEIE-UHFFFAOYSA-N,"InChI=1S/C20H15N3O/c1-14-4-2-7-19(22-14)23-20(24)17-10-8-16(9-11-17)18-6-3-5-15(12-18)13-21/h2-12H,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,23,14,24,15,13,22,10,20,9,21,19,17,2,16,11,8,12,4,6,18,3,5,7/E:(8,9)(10,11)/rA:24CCNCNCOCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;s16;t17;s12d16;s11;s8d20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VBCKDFPXKSWYNA_on_O00222_WT,High,ExCAPE-DB,3454512,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3COc4c(cccc4)O3)c(C)c2)cc1,VBCKDFPXKSWYNA,VBCKDFPXKSWYNA-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-12-22(23(29)15-32-21-10-8-19(9-11-21)26-18(3)28)17(2)27(16)13-20-14-30-24-6-4-5-7-25(24)31-20/h4-12,20H,13-15H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:29,15,1,25,24,26,23,6,32,7,31,30,17,19,10,28,14,2,5,18,8,13,11,21,22,4,16,3,12,20,27,9/E:(8,9)(10,11)/rA:32CCONCCCCSCCOCCCNCCCOCCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s18s22;s16;s28;s13d28;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.943,5.943,0.0,0.0,1.0,5.943,0.0
-VBCKDFPXKSWYNA_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560393,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3COc4c(cccc4)O3)c(C)c2)cc1,VBCKDFPXKSWYNA,VBCKDFPXKSWYNA-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-12-22(23(29)15-32-21-10-8-19(9-11-21)26-18(3)28)17(2)27(16)13-20-14-30-24-6-4-5-7-25(24)31-20/h4-12,20H,13-15H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:29,15,1,25,24,26,23,6,32,7,31,30,17,19,10,28,14,2,5,18,8,13,11,21,22,4,16,3,12,20,27,9/E:(8,9)(10,11)/rA:32CCONCCCCSCCOCCCNCCCOCCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s18s22;s16;s28;s13d28;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.585,5.585,0.0,0.0,1.0,5.585,0.0
-VBCKDFPXKSWYNA_on_Q14833_WT,High,ExCAPE-DB,3454512,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3COc4c(cccc4)O3)c(C)c2)cc1,VBCKDFPXKSWYNA,VBCKDFPXKSWYNA-UHFFFAOYSA-N,"InChI=1S/C25H26N2O4S/c1-16-12-22(23(29)15-32-21-10-8-19(9-11-21)26-18(3)28)17(2)27(16)13-20-14-30-24-6-4-5-7-25(24)31-20/h4-12,20H,13-15H2,1-3H3,(H,26,28)","""AuxInfo=1/1/N:29,15,1,25,24,26,23,6,32,7,31,30,17,19,10,28,14,2,5,18,8,13,11,21,22,4,16,3,12,20,27,9/E:(8,9)(10,11)/rA:32CCONCCCCSCCOCCCNCCCOCCCCCCOCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s18s22;s16;s28;s13d28;s8;s5d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.658,5.6579999999999995,0.0,0.0,1.0,5.6579999999999995,0.0
-VBCZALAXIAFAHI_on_Q14833_WT,High,ExCAPE-DB,56587895,O=C(Nc1cc2n[nH]cc2cc1)c1ccccn1,VBCZALAXIAFAHI,VBCZALAXIAFAHI-UHFFFAOYSA-N,"InChI=1S/C13H10N4O/c18-13(11-3-1-2-6-14-11)16-10-5-4-9-8-15-17-12(9)7-10/h1-8H,(H,15,17)(H,16,18)","""AuxInfo=1/1/N:15,16,14,11,12,17,5,9,10,4,13,6,2,18,8,3,7,1/rA:18OCNCCCNNCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s6d9;s10;s4d11;s2;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  5.863,5.8629999999999995,0.0,0.0,1.0,5.8629999999999995,0.0
-VBHGLAXPLKBHPW_on_P14867_WT,Low,ChEMBL30,CHEMBL1093501,Cc1ccccc1-c1nn(O)cc1C1CCNCC1,VBHGLAXPLKBHPW,VBHGLAXPLKBHPW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-4-2-3-5-13(11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,4,5,3,6,15,19,16,18,12,2,14,7,13,8,17,9,10,11/E:(6,7)(8,9)/rA:19CCCCCCCCNNOCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;s8d12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.580;  5.580,5.58,0.0,0.0,2.0,5.58,0.0
-VBHGLAXPLKBHPW_on_P18507_WT,Low,ChEMBL30,CHEMBL1093501,Cc1ccccc1-c1nn(O)cc1C1CCNCC1,VBHGLAXPLKBHPW,VBHGLAXPLKBHPW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-4-2-3-5-13(11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,4,5,3,6,15,19,16,18,12,2,14,7,13,8,17,9,10,11/E:(6,7)(8,9)/rA:19CCCCCCCCNNOCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;s8d12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.580;  5.580,5.58,0.0,0.0,2.0,5.58,0.0
-VBHGLAXPLKBHPW_on_P47870_WT,Low,ChEMBL30,CHEMBL1093501,Cc1ccccc1-c1nn(O)cc1C1CCNCC1,VBHGLAXPLKBHPW,VBHGLAXPLKBHPW-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c1-11-4-2-3-5-13(11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3","""AuxInfo=1/0/N:1,4,5,3,6,15,19,16,18,12,2,14,7,13,8,17,9,10,11/E:(6,7)(8,9)/rA:19CCCCCCCCNNOCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;s8d12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.580;  5.580,5.58,0.0,0.0,2.0,5.58,0.0
-VBMDLPDZHJPCFC_on_Q14833_WT,High,ChEMBL30,CHEMBL1223383,O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccn1,VBMDLPDZHJPCFC,VBMDLPDZHJPCFC-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-11-12(8-9-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)","""AuxInfo=1/1/N:17,16,24,25,18,15,23,5,6,26,21,4,19,7,14,22,9,2,20,8,27,3,13,1,11,12,10/E:(25,26)/CRV:27.6/rA:27OCNCCCCClCSOONCCCCCCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;s17;s14d18;s19;s4d9;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-VBNZPGQZUAEEGR_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628086,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cocn1,VBNZPGQZUAEEGR,VBNZPGQZUAEEGR-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O4/c19-13-7-10(21-16(23)14-8-26-9-20-14)5-6-15(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,25,4,12,11,19,22,7,2,17,9,20,26,3,8,1,18,10,24/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCOCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-VBOQYPQEPHKASR_on_P41594_WT,High,ChEMBL30,CHEMBL230951,NC(CCS(=O)(=O)O)C(=O)O,VBOQYPQEPHKASR,VBOQYPQEPHKASR-UHFFFAOYSA-N,"InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/CRV:11.6/rA:11NCCCSOOOCOO/rB:s1;s2;s3;s4;d5;d5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL895146,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  4.270,4.27,0.0,0.0,1.0,4.27,0.0
-VBOQYPQEPHKASR_on_Q13255_WT,High,ChEMBL30,CHEMBL230951,NC(CCS(=O)(=O)O)C(=O)O,VBOQYPQEPHKASR,VBOQYPQEPHKASR-UHFFFAOYSA-N,"InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/CRV:11.6/rA:11NCCCSOOOCOO/rB:s1;s2;s3;s4;d5;d5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL895144,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-VBOQYPQEPHKASR_on_Q14416_WT,Low,ChEMBL30,CHEMBL230951,NC(CCS(=O)(=O)O)C(=O)O,VBOQYPQEPHKASR,VBOQYPQEPHKASR-UHFFFAOYSA-N,"InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/CRV:11.6/rA:11NCCCSOOOCOO/rB:s1;s2;s3;s4;d5;d5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL895145,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-VBOQYPQEPHKASR_on_Q14833_WT,High,ChEMBL30,CHEMBL230951,NC(CCS(=O)(=O)O)C(=O)O,VBOQYPQEPHKASR,VBOQYPQEPHKASR-UHFFFAOYSA-N,"InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)","""AuxInfo=1/1/N:3,4,2,9,1,10,11,6,7,8,5/E:(6,7)(8,9,10)/CRV:11.6/rA:11NCCCSOOOCOO/rB:s1;s2;s3;s4;d5;d5;s5;s2;d9;s9;/rC:;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL895143,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-VBQCIODSEIXUEH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3968183,CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC12CC2,VBQCIODSEIXUEH,VBQCIODSEIXUEH-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O/c1-22-18(24)23(13-19(22)10-11-19)17-9-6-15(12-21-17)3-2-14-4-7-16(20)8-5-14/h4-9,12H,10-11,13H2,1H3","""AuxInfo=1/0/N:1,11,10,13,18,8,14,17,7,23,24,19,21,12,9,15,6,3,22,16,20,2,5,4/E:(4,5)(7,8)(10,11)/rA:24CNCONCCCCCCCCCCFCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-VBSDLRADZKZGHB_on_Q14416_WT,High,ChEMBL30,CHEMBL3805900,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1cccnc1)cc2,VBSDLRADZKZGHB,VBSDLRADZKZGHB-UHFFFAOYSA-N,"InChI=1S/C24H30N6O2/c1-24(2,3)15-30-19-9-10-20(26-21(19)27(4)23(30)32)28-13-18-8-7-17(28)14-29(18)22(31)16-6-5-11-25-12-16/h5-6,9-12,17-18H,7-8,13-15H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,27,26,19,18,32,31,28,30,16,21,6,25,20,17,11,14,12,23,3,7,29,13,2,15,22,5,24,4/E:(1,2,3)/rA:32CNCONCCCCCCCNCNCCCCCCNCOCCCCNCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;d27;s28;s25d29;s14;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-VBXZLYYHFDVNEN_on_P14867_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-VBXZLYYHFDVNEN_on_P18507_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL862572;CHEMBL863773;CHEMBL863772;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.030;  8.070;  8.890;  8.020,8.252,0.369,0.213,4.0,8.05,0.025
-VBXZLYYHFDVNEN_on_P28472_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL862572;CHEMBL863772;CHEMBL863774;CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.030;  8.890;  8.020;  8.070,8.253,0.369,0.213,4.0,8.05,0.025
-VBXZLYYHFDVNEN_on_P31644_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-VBXZLYYHFDVNEN_on_P34903_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-VBXZLYYHFDVNEN_on_P47869_WT,Low,ChEMBL30,CHEMBL203785,CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1,VBXZLYYHFDVNEN,VBXZLYYHFDVNEN-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)17-11-25-27-16(10-24-19(27)26-17)12-5-6-15(21)14(8-12)18-13(9-22)4-3-7-23-18/h3-8,10-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,25,24,16,12,20,9,28,11,19,13,22,10,5,14,7,2,23,21,15,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCCCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-VBZHSXFBAXRRKG_on_Q13255_WT,High,ChEMBL30,CHEMBL1951880,O=c1c2c(ccn1-c1ccc(Cl)cc1)c1c(nccc1NC1CC1)s2,VBZHSXFBAXRRKG,VBZHSXFBAXRRKG-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)","""AuxInfo=1/1/N:10,13,23,24,9,14,19,5,18,6,11,22,8,4,20,15,3,16,2,12,17,21,7,1,25/E:(1,2)(3,4)(5,6)/rA:25OCCCCCNCCCCClCCCCNCCCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s22s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-VCAOZNYTIATHLZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681548,Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)cc1,VCAOZNYTIATHLZ,VCAOZNYTIATHLZ-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,10,3,30,4,29,16,15,22,26,23,25,27,12,2,9,5,17,21,11,14,6,18,28,20,7,19,24,13,8/E:(3,4)(5,6)(9,10)(11,12)/rA:30CCCCCCNOCCCCOCCCCCONCCCOCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6d9;s11;s12;s13;d14;s15;d16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;s17;s14d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-VCGRFBXVSFAGGA_on_P14867_WT,High,ChEMBL30,CHEMBL3681419,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(F)cc2)no1,VCGRFBXVSFAGGA,VCGRFBXVSFAGGA-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,30,12,11,16,17,5,31,15/E:(2,3)(5,6)(8,9)(10,11)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-VCGRFBXVSFAGGA_on_P31644_WT,High,ChEMBL30,CHEMBL3681419,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(F)cc2)no1,VCGRFBXVSFAGGA,VCGRFBXVSFAGGA-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,30,12,11,16,17,5,31,15/E:(2,3)(5,6)(8,9)(10,11)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PATENT:US8846719B2,2014.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-VCGRFBXVSFAGGA_on_P34903_WT,High,ChEMBL30,CHEMBL3681419,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(F)cc2)no1,VCGRFBXVSFAGGA,VCGRFBXVSFAGGA-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,30,12,11,16,17,5,31,15/E:(2,3)(5,6)(8,9)(10,11)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-VCGRFBXVSFAGGA_on_P47869_WT,High,ChEMBL30,CHEMBL3681419,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2ccc(F)cc2)no1,VCGRFBXVSFAGGA,VCGRFBXVSFAGGA-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,24,29,8,25,28,7,13,19,14,18,20,4,2,23,9,26,3,6,22,10,27,21,30,12,11,16,17,5,31,15/E:(2,3)(5,6)(8,9)(10,11)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s26;s23d28;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-VCJGRMVHAYBWRI_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198993,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,VCJGRMVHAYBWRI,VCJGRMVHAYBWRI-UHFFFAOYSA-P,"InChI=1S/C34H38N4/c1(3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37)2-4-6-8-14-22-38-24-20-30-28-16-10-12-18-32(28)36-34(30)26-38/h9-12,15-20,23-26H,1-8,13-14,21-22H2/p+2","""AuxInfo=1/5/N:16,17,15,18,14,19,13,20,6,33,1,32,12,21,5,34,2,31,37,27,11,22,36,28,9,24,4,29,7,26,3,30,8,25,38,35,10,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38CCCCCCCCCN+CCCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s26;d29;s30;d31;s32;s29d33;s25s30;s10;s7d36;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1105653;CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.580;  5.750,5.665,0.085,0.085,2.0,5.665,0.085
-VCJGRMVHAYBWRI_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198993,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,VCJGRMVHAYBWRI,VCJGRMVHAYBWRI-UHFFFAOYSA-P,"InChI=1S/C34H38N4/c1(3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37)2-4-6-8-14-22-38-24-20-30-28-16-10-12-18-32(28)36-34(30)26-38/h9-12,15-20,23-26H,1-8,13-14,21-22H2/p+2","""AuxInfo=1/5/N:16,17,15,18,14,19,13,20,6,33,1,32,12,21,5,34,2,31,37,27,11,22,36,28,9,24,4,29,7,26,3,30,8,25,38,35,10,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38CCCCCCCCCN+CCCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s26;d29;s30;d31;s32;s29d33;s25s30;s10;s7d36;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1105653,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-VCJGRMVHAYBWRI_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198993,c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2,VCJGRMVHAYBWRI,VCJGRMVHAYBWRI-UHFFFAOYSA-P,"InChI=1S/C34H38N4/c1(3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37)2-4-6-8-14-22-38-24-20-30-28-16-10-12-18-32(28)36-34(30)26-38/h9-12,15-20,23-26H,1-8,13-14,21-22H2/p+2","""AuxInfo=1/5/N:16,17,15,18,14,19,13,20,6,33,1,32,12,21,5,34,2,31,37,27,11,22,36,28,9,24,4,29,7,26,3,30,8,25,38,35,10,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38CCCCCCCCCN+CCCCCCCCCCCCN+CCCCCCCCCCCNCCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;s26;s23d27;s26;d29;s30;d31;s32;s29d33;s25s30;s10;s7d36;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655,PMID:20361801,2010.0,PMID:20361801,2010,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-VCLAAAADDKVCFX_on_P41594_WT,High,ChEMBL30,CHEMBL3924901,COC1(OC)CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1,VCLAAAADDKVCFX,VCLAAAADDKVCFX-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O4/c1-27-22(28-2)10-15(11-22)7-6-14-8-17(13-24-12-14)19-20(29-21(26)25-19)16-4-3-5-18(23)9-16/h3-5,8-9,12-13,15,19-20H,10-11H2,1-2H3,(H,25,26)","""AuxInfo=1/1/N:1,5,23,22,24,9,8,28,27,6,29,11,13,10,7,21,14,25,15,20,17,3,26,12,16,18,2,4,19/E:(1,2)(10,11)(27,28)/rA:29COCOCCCCCCCNCCCNCOOCCCCCCFCCC/rB:s1;s2;s3;s4;s3;s6;s7;t8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s17;s15s19;s20;d21;s22;d23;s24;s25;s21d25;s10d14;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-VCMVTEWSYZCDCI_on_P41594_WT,High,ChEMBL30,CHEMBL1779887,COc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCCC2)CC3)ccc1,VCMVTEWSYZCDCI,VCMVTEWSYZCDCI-UHFFFAOYSA-N,"InChI=1S/C23H24N2O2/c1-27-20-9-5-6-17(16-20)10-11-18-12-13-21-22(24-18)14-15-25(23(21)26)19-7-3-2-4-8-19/h5-6,9,12-13,16,19H,2-4,7-8,14-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,26,25,18,22,27,6,7,13,12,24,23,4,5,8,17,3,11,10,14,9,16,15,2/E:(3,4)(7,8)/rA:27COCCCCCCNCCCCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;s8d12;s11;d14;s14;s16;s17;s18;s19;s20;s17s21;s16;s10s23;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,0,0,1,0,,=,  4.630,4.63,0.0,0.0,1.0,4.63,0.0
-VCOQFJAAFNPRJD_on_P41594_WT,Low,ChEMBL30,CHEMBL2338557,O=C(Cc1ccccn1)NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1,VCOQFJAAFNPRJD,VCOQFJAAFNPRJD-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3O2/c21-15-6-3-5-14(11-15)20(26)24-18-9-4-8-17(12-18)23-19(25)13-16-7-1-2-10-22-16/h1-3,5-7,10-11,17-18H,4,8-9,12-13H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:6,7,24,13,25,23,5,12,14,8,20,26,3,19,21,4,11,15,2,17,22,9,10,16,1,18/rA:26OCCCCCCCNNCCCCCNCOCCCClCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;s21;d21;s23;s19d24;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VCUKKMIXURRDKL_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11530404;CHEMBL385336,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,VCUKKMIXURRDKL,VCUKKMIXURRDKL-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:282966;CHEMBL913253,PMID:16279797,2005.0,PubChemAID:282966;PMID:16809035,2010;2006,0;1,0,0,0,1;0,,=,  6.355;  6.360,6.357,0.003,0.003,2.0,6.357,0.002
-VCUKKMIXURRDKL_on_Q13255_WT,High,ExCAPE-DB,11530404,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,VCUKKMIXURRDKL,VCUKKMIXURRDKL-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965,PMID:16279797,2005.0,PubChemAID:282965,2010,0,0,0,0,1,,=,  8.523,8.523,0.0,0.0,1.0,8.523,0.0
-VCUKKMIXURRDKL_on_Q14416_WT,Low,ChEMBL30,CHEMBL385336,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,VCUKKMIXURRDKL,VCUKKMIXURRDKL-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL913251,PMID:16809035,2006.0,PMID:16809035,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VCUKKMIXURRDKL_on_Q14831_WT,Low,ChEMBL30,CHEMBL385336,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,VCUKKMIXURRDKL,VCUKKMIXURRDKL-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL913254,PMID:16809035,2006.0,PMID:16809035,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VCUKKMIXURRDKL_on_Q14833_WT,Low,ChEMBL30,CHEMBL385336,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,VCUKKMIXURRDKL,VCUKKMIXURRDKL-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,20,8,3,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL913252,PMID:16809035,2006.0,PMID:16809035,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VCVWFHVRSCOUBG_on_Q13255_WT,High,ChEMBL30,CHEMBL366448,CCc1c(C)nc2ccc(C(=O)C3Cc4c(cccc4)C3)cc2c1,VCVWFHVRSCOUBG,VCVWFHVRSCOUBG-UHFFFAOYSA-N,"InChI=1S/C22H21NO/c1-3-15-10-19-13-18(8-9-21(19)23-14(15)2)22(24)20-11-16-6-4-5-7-17(16)12-20/h4-10,13,20H,3,11-12H2,1-2H3","""AuxInfo=1/0/N:1,5,2,18,19,17,20,9,8,24,21,14,22,4,3,16,15,10,23,13,7,11,6,12/E:(4,5)(6,7)(11,12)(16,17)/rA:24CCCCCNCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s18;s15d19;s13s16;d10;s7s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-VCXHZQXVKCMJJU_on_P14867_WT,Low,ChEMBL30,CHEMBL4100583,CCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,VCXHZQXVKCMJJU,VCXHZQXVKCMJJU-UHFFFAOYSA-N,"InChI=1S/C26H37N3O2/c1-3-26(31)11-9-19-18(12-26)4-5-21-20(19)8-10-25(2)22(21)6-7-23(25)24(30)16-29-15-17(13-27)14-28-29/h14-15,18-23,31H,3-12,16H2,1-2H3","""AuxInfo=1/0/N:1,16,2,9,10,29,28,13,6,14,5,31,24,26,22,20,23,8,7,12,11,30,17,18,15,3,25,27,21,19,4/rA:31CCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s7s11;s12;s13;s14;s15;s15;s17;d18;s18;s20;s21;d22;s23;t24;s23;s21d26;s17;s28;s11s15s29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VCXHZQXVKCMJJU_on_P18507_WT,Low,ChEMBL30,CHEMBL4100583,CCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,VCXHZQXVKCMJJU,VCXHZQXVKCMJJU-UHFFFAOYSA-N,"InChI=1S/C26H37N3O2/c1-3-26(31)11-9-19-18(12-26)4-5-21-20(19)8-10-25(2)22(21)6-7-23(25)24(30)16-29-15-17(13-27)14-28-29/h14-15,18-23,31H,3-12,16H2,1-2H3","""AuxInfo=1/0/N:1,16,2,9,10,29,28,13,6,14,5,31,24,26,22,20,23,8,7,12,11,30,17,18,15,3,25,27,21,19,4/rA:31CCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s7s11;s12;s13;s14;s15;s15;s17;d18;s18;s20;s21;d22;s23;t24;s23;s21d26;s17;s28;s11s15s29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VCXHZQXVKCMJJU_on_P47870_WT,Low,ChEMBL30,CHEMBL4100583,CCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,VCXHZQXVKCMJJU,VCXHZQXVKCMJJU-UHFFFAOYSA-N,"InChI=1S/C26H37N3O2/c1-3-26(31)11-9-19-18(12-26)4-5-21-20(19)8-10-25(2)22(21)6-7-23(25)24(30)16-29-15-17(13-27)14-28-29/h14-15,18-23,31H,3-12,16H2,1-2H3","""AuxInfo=1/0/N:1,16,2,9,10,29,28,13,6,14,5,31,24,26,22,20,23,8,7,12,11,30,17,18,15,3,25,27,21,19,4/rA:31CCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s7s11;s12;s13;s14;s15;s15;s17;d18;s18;s20;s21;d22;s23;t24;s23;s21d26;s17;s28;s11s15s29;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VDAAZNDUFIYGCV_on_O15399_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_O60391_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_Q05586_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_Q12879_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_Q13224_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAAZNDUFIYGCV_on_Q14957_WT,Low,ChEMBL30,CHEMBL553885,CC(N)CC(=O)NCC(=O)O,VDAAZNDUFIYGCV,VDAAZNDUFIYGCV-UHFFFAOYSA-N,"InChI=1S/C6H12N2O3/c1-4(7)2-5(9)8-3-6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,4,8,2,5,9,3,7,6,10,11/E:(10,11)/rA:11CCNCCONCCOO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VDAHGXKTABYDOQ_on_O00591_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_O14764_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P14867_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P18505_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P18507_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P28472_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P31644_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P34903_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P47869_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P47870_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P48169_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_P78334_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDAHGXKTABYDOQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL306370,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,VDAHGXKTABYDOQ,VDAHGXKTABYDOQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,6,21,20,22,19,24,25,7,9,16,8,23,15,18,3,4,13,11,17,10,14,12,2,5/rA:25COCCOCCCCNCOCOCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s15s18d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VDDATJOZLCYXHB_on_P14867_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678330,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-VDDATJOZLCYXHB_on_P18507_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL678330;CHEMBL681249;CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.680;  6.200;  6.470;  6.410,6.44,0.171,0.099,4.0,6.44,0.135
-VDDATJOZLCYXHB_on_P28472_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681249;CHEMBL681483;CHEMBL678330;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.470;  6.410;  6.200;  6.680,6.44,0.171,0.099,4.0,6.44,0.135
-VDDATJOZLCYXHB_on_P31644_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-VDDATJOZLCYXHB_on_P34903_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-VDDATJOZLCYXHB_on_P47869_WT,Low,ChEMBL30,CHEMBL301195,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O,VDDATJOZLCYXHB,VDDATJOZLCYXHB-UHFFFAOYSA-N,"InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3","""AuxInfo=1/0/N:24,13,1,20,19,21,18,22,9,15,10,14,6,8,17,11,7,5,16,25,3,23,26,4,12,2/E:(5,6)(7,8)(9,10)(11,12)/rA:26COCOCCCCCCCOCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-VDEYQSOFDSCWMV_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209594,Nc1nccc(-c2cc3c(cccc3)s2)n1,VDEYQSOFDSCWMV,VDEYQSOFDSCWMV-UHFFFAOYSA-N,"InChI=1S/C12H9N3S/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)","""AuxInfo=1/1/N:13,12,14,11,5,4,8,9,6,10,7,2,1,3,16,15/rA:16NCNCCCCCCCCCCCSN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;s2d6;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-VDHXRJAFYBKZPU_on_Q13255_WT,Low,ChEMBL30,CHEMBL3760031,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ocn1,VDHXRJAFYBKZPU,VDHXRJAFYBKZPU-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-16(27-9-21-10)17(24)22-11-6-7-15(14(20)8-11)23-18(25)12-4-2-3-5-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,24,26,2,7,15,14,22,10,3,4,20,12,23,27,6,11,5,21,13,25/E:(2,3)(4,5)(12,13)(18,19)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCOCN/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-VDJXQWGIDBTVDQ_on_O15399_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_O60391_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDJXQWGIDBTVDQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL42426,Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2,VDJXQWGIDBTVDQ,VDJXQWGIDBTVDQ-UHFFFAOYSA-N,"InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,9,2,10,8,7,3,13,15,11,12,17,4,14,16,5,6/E:(16,17)/CRV:13.5/rA:17CCCN+OO-CCCCBrNCOCON/rB:s1;d2;s3;d4;s4;s3;d7;s8;s2d9;s10;s8;d12;s13;s13;s15;s7d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  8.060,8.06,0.0,0.0,1.0,8.06,0.0
-VDKCBRJPJMMTEC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL320151,CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(F)c2ccccc2)ccc1,VDKCBRJPJMMTEC,VDKCBRJPJMMTEC-UHFFFAOYSA-N,"InChI=1S/C21H21FN2O2S/c1-2-27(25,26)24(16-17-8-7-13-23-15-17)20-12-6-11-19(14-20)21(22)18-9-4-3-5-10-18/h3-15,21H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,26,12,13,20,24,25,27,11,15,9,7,8,19,16,14,17,18,10,6,4,5,3/E:(4,5)(9,10)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCFCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s17;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-VDLZIICIZAEICO_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3895942,O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1,VDLZIICIZAEICO,VDLZIICIZAEICO-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3S2/c20-14-6-2-1-5-13(14)11-28(25,26)18-16(12-8-9-12)22-19(27-18)23-17(24)15-7-3-4-10-21-15/h1-7,10,12H,8-9,11H2,(H,22,23,24)","""AuxInfo=1/1/N:17,18,25,26,16,19,24,8,9,27,14,7,15,20,23,6,2,10,4,21,28,5,3,1,12,13,22,11/E:(8,9)(25,26)/CRV:28.6/rA:28OCNCNCCCCCSOOCCCCCCCClSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7s8;d6;s10;d11;d11;s11;s14;d15;s16;d17;s18;s15d19;s20;s4s10;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-VDMPFMWHJRGPBB_on_P41594_WT,Low,ChEMBL30,CHEMBL3758465,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2F)occ1,VDMPFMWHJRGPBB,VDMPFMWHJRGPBB-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-15-6-5-11(9-14(15)22)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,9,8,28,27,23,2,10,14,18,24,7,15,3,4,12,16,19,25,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3762452,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDMPFMWHJRGPBB_on_Q13255_WT,High,ChEMBL30,CHEMBL3758465,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2F)occ1,VDMPFMWHJRGPBB,VDMPFMWHJRGPBB-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-15-6-5-11(9-14(15)22)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,9,8,28,27,23,2,10,14,18,24,7,15,3,4,12,16,19,25,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCFCCCCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  4.660;  7.650,6.155,1.495,1.495,2.0,6.155,1.495
-VDMSNGMYNVTHDD_on_P14867_WT,Low,ChEMBL30,CHEMBL1093533,On1ncc(C2CCNCC2)c1-c1ccccc1,VDMSNGMYNVTHDD,VDMSNGMYNVTHDD-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-14(12-4-2-1-3-5-12)13(10-16-17)11-6-8-15-9-7-11/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:16,15,17,14,18,7,11,8,10,4,6,13,5,12,9,3,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONNCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.820;  6.810,6.815,0.005,0.005,2.0,6.815,0.005
-VDMSNGMYNVTHDD_on_P18507_WT,Low,ChEMBL30,CHEMBL1093533,On1ncc(C2CCNCC2)c1-c1ccccc1,VDMSNGMYNVTHDD,VDMSNGMYNVTHDD-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-14(12-4-2-1-3-5-12)13(10-16-17)11-6-8-15-9-7-11/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:16,15,17,14,18,7,11,8,10,4,6,13,5,12,9,3,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONNCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.810;  6.820,6.815,0.005,0.005,2.0,6.815,0.005
-VDMSNGMYNVTHDD_on_P47870_WT,Low,ChEMBL30,CHEMBL1093533,On1ncc(C2CCNCC2)c1-c1ccccc1,VDMSNGMYNVTHDD,VDMSNGMYNVTHDD-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c18-17-14(12-4-2-1-3-5-12)13(10-16-17)11-6-8-15-9-7-11/h1-5,10-11,15,18H,6-9H2","""AuxInfo=1/0/N:16,15,17,14,18,7,11,8,10,4,6,13,5,12,9,3,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:18ONNCCCCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.820;  6.810,6.815,0.005,0.005,2.0,6.815,0.005
-VDNIKGLCZJGBLN_on_P41594_WT,High,ChEMBL30,CHEMBL3603926,N#Cc1cc(Cl)c(F)c(-c2cc(-c3ncc(F)cc3)ncn2)c1,VDNIKGLCZJGBLN,VDNIKGLCZJGBLN-UHFFFAOYSA-N,"InChI=1S/C16H7ClF2N4/c17-12-4-9(6-20)3-11(16(12)19)14-5-15(23-8-22-14)13-2-1-10(18)7-21-13/h1-5,7-8H","""AuxInfo=1/0/N:18,19,23,4,11,2,15,21,3,16,9,5,13,10,12,7,6,17,8,1,14,22,20/rA:23NCCCCClCFCCCCCNCCFCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s7;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s10d21;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  9.400;  9.100,9.25,0.15,0.15,2.0,9.25,0.15
-VDONLXKRWQWXBB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403702;73347520,O=C(C1CC2CCC1C2)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,VDONLXKRWQWXBB,VDONLXKRWQWXBB-UHFFFAOYSA-N,"InChI=1S/C22H22N2OS/c25-22(18-13-16-6-8-17(18)12-16)24-11-10-19-20(14-24)26-21(23-19)9-7-15-4-2-1-3-5-15/h1-5,16-18H,6,8,10-14H2","""AuxInfo=1/0/N:23,22,24,21,25,6,19,7,18,12,11,9,4,15,20,5,8,3,13,14,17,2,26,10,1,16/E:(2,3)(4,5)/rA:26OCCCCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s3s7;s5s8;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-VDPVHWGVEQPQDX_on_P41594_WT,High,ChEMBL30,CHEMBL2403694,O=C(C1CCOC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,VDPVHWGVEQPQDX,VDPVHWGVEQPQDX-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2S/c22-19(15-9-11-23-13-15)21-10-8-16-17(12-21)24-18(20-16)7-6-14-4-2-1-3-5-14/h1-5,15H,8-13H2","""AuxInfo=1/0/N:21,20,22,19,23,17,16,10,4,9,5,13,7,18,3,11,12,15,2,24,8,1,6,14/E:(2,3)(4,5)/rA:24OCCCCOCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s6;s2;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-VDSWNDJVCZWANS_on_P41594_WT,High,ChEMBL30,CHEMBL577833,CCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O,VDSWNDJVCZWANS,VDSWNDJVCZWANS-UHFFFAOYSA-N,"InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,19,20,8,7,18,23,4,11,9,5,6,14,10,15,24,16,17,22,21,3,13,25/rA:25CCNCCCCCCCCCNCCFNCCCNNCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s13;s10d21;s5d9;s3s6;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1038284,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-VDSWNDJVCZWANS_on_Q13255_WT,High,ChEMBL30,CHEMBL577833,CCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O,VDSWNDJVCZWANS,VDSWNDJVCZWANS-UHFFFAOYSA-N,"InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-9H,3,10H2,1-2H3","""AuxInfo=1/0/N:1,12,2,19,20,8,7,18,23,4,11,9,5,6,14,10,15,24,16,17,22,21,3,13,25/rA:25CCNCCCCCCCCCNCCFNCCCNNCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s11;s13;d14;s15;s15;d17;s18;s14d19;s13;s10d21;s5d9;s3s6;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-VDUKIDZFLYVMRP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3938055,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(F)c3)n2)cc(C)n1,VDUKIDZFLYVMRP,VDUKIDZFLYVMRP-UHFFFAOYSA-N,"InChI=1S/C20H19ClFN3O/c1-12-9-15(10-13(2)23-12)19-18-5-7-26-8-6-25(18)20(24-19)14-3-4-16(21)17(22)11-14/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,25,15,16,7,11,8,10,3,23,21,2,24,14,4,17,19,6,5,13,18,20,26,22,12,9/E:(1,2)(9,10)(12,13)/rA:26CCCCCCCCOCCNCCCCCClCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s14d19;s5d13;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-VDWCGWUJQRLILT_on_Q14416_WT,High,ChEMBL30,CHEMBL3927834,CC(=O)c1c(O)c(Cl)c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)cc1,VDWCGWUJQRLILT,VDWCGWUJQRLILT-UHFFFAOYSA-N,"InChI=1S/C21H16ClN5O4/c1-12(28)16-5-6-17(19(22)20(16)29)30-11-13-3-2-4-15(9-13)31-18-10-14(7-8-23-18)21-24-26-27-25-21/h2-10,29H,11H2,1H3,(H,24,25,26,27)","""AuxInfo=1/1/N:1,14,13,15,31,30,21,20,29,28,11,2,12,22,16,4,9,18,7,5,23,8,19,24,27,25,26,3,6,10,17/E:(24,25)(26,27)/rA:31CCOCCOCClCOCCCCCCOCNCCCCNNNNCCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;d23;s24;s25;s23d26;s18d22;s12d16;s9;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-VDWYQUGGMXOSQJ_on_P14867_WT,Low,ChEMBL30,CHEMBL416625,Cc1csc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,VDWYQUGGMXOSQJ,VDWYQUGGMXOSQJ-UHFFFAOYSA-N,"InChI=1S/C27H27N3OS/c1-17-16-32-25(29-17)22-14-21(19-7-9-20(10-8-19)27(2,3)4)24-23-15-28-12-11-18(23)6-5-13-30(24)26(22)31/h7-12,14-16H,5-6,13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,27,26,10,18,11,17,22,23,28,7,25,3,2,21,9,12,8,6,20,19,5,30,13,24,32,29,31,4/E:(2,3,4)(7,8)(9,10)/rA:32CCCSCCCCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;d8;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19s28;s6s29;d30;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-VDWYQUGGMXOSQJ_on_P34903_WT,Low,ChEMBL30,CHEMBL416625,Cc1csc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,VDWYQUGGMXOSQJ,VDWYQUGGMXOSQJ-UHFFFAOYSA-N,"InChI=1S/C27H27N3OS/c1-17-16-32-25(29-17)22-14-21(19-7-9-20(10-8-19)27(2,3)4)24-23-15-28-12-11-18(23)6-5-13-30(24)26(22)31/h7-12,14-16H,5-6,13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,27,26,10,18,11,17,22,23,28,7,25,3,2,21,9,12,8,6,20,19,5,30,13,24,32,29,31,4/E:(2,3,4)(7,8)(9,10)/rA:32CCCSCCCCCCCCCCCCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s13;s13;s12;s9d17;d8;s19;d20;s21;d22;s23;s20d24;s21;s26;s27;s19s28;s6s29;d30;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-VDZDQVMLKIOOSG_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209662,N#Cc1ccccc1C=Cc1nc(N)ncc1,VDZDQVMLKIOOSG,VDZDQVMLKIOOSG-UHFFFAOYSA-N,"InChI=1S/C13H10N4/c14-9-11-4-2-1-3-10(11)5-6-12-7-8-16-13(15)17-12/h1-8H,(H2,15,16,17)","""AuxInfo=1/1/N:6,5,7,4,9,10,17,16,2,8,3,11,13,1,14,15,12/rA:17NCCCCCCCCCCNCNNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;w?9;s10;d11;s12;s13;d13;s15;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-VDZKRKYRGLTAQL_on_O15399_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_O60391_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_P41594_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4157622,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_Q05586_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_Q12879_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_Q13224_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VDZKRKYRGLTAQL_on_Q14957_WT,Low,ChEMBL30,CHEMBL4160584,Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12,VDZKRKYRGLTAQL,VDZKRKYRGLTAQL-UHFFFAOYSA-N,"InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3","""AuxInfo=1/0/N:1,7,10,6,11,17,2,8,5,18,14,12,9,3,15,4,13,16/E:(2,3)(4,5)/rA:18CCNNCCCCFCCCOCNOCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s8;s5d10;s4;d12;s12;d14;s15;s16;s2s14d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4157624,PMID:30143366,2018.0,PMID:30143366,2018,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VEEAVRZUFBNPAA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1289786;52944770,O=C(CNCc1ccncc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1,VEEAVRZUFBNPAA,VEEAVRZUFBNPAA-UHFFFAOYSA-N,"InChI=1S/C18H20Cl2N4O/c19-15-1-2-17(16(20)11-15)23-7-9-24(10-8-23)18(25)13-22-12-14-3-5-21-6-4-14/h1-6,11,22H,7-10,12-13H2","""AuxInfo=1/0/N:22,23,7,11,8,10,14,24,13,25,19,5,3,6,20,17,16,2,21,18,9,4,15,12,1/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCNCCCCNCCNCCNCCClCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;s17;d19;s20;s20;s16d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.070;  5.071,5.071000000000001,0.0,0.0,2.0,5.071000000000001,0.0
-VEGSEUJMFASKPM_on_O15399_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_O60391_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_Q05586_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_Q12879_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_Q13224_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEGSEUJMFASKPM_on_Q14957_WT,Low,ChEMBL30,CHEMBL83430,N=C(NCc1ccccc1)NCc1ccccc1,VEGSEUJMFASKPM,VEGSEUJMFASKPM-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,12,5,13,2,1,3,11/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.170,5.17,0.0,0.0,1.0,5.17,0.0
-VEIVGFQGXNUAFW_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647577,CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2F)c1,VEIVGFQGXNUAFW,VEIVGFQGXNUAFW-UHFFFAOYSA-N,"InChI=1S/C23H22F2N4O2S/c1-13(2)29-12-26-22-19(11-27-28-23(22)29)15-5-8-20(24)18(9-15)17-7-6-16(10-21(17)25)32(30,31)14(3)4/h5-14H,1-4H3","""AuxInfo=1/0/N:1,3,27,28,14,21,20,15,32,29,11,5,2,26,13,22,19,18,12,16,30,7,8,17,31,6,10,9,4,24,25,23/E:(1,2)(3,4)(30,31)/CRV:32.6/rA:32CCCNCNCCNNCCCCCCFCCCCCSOOCCCCCFC/rB:s1;s2;s2;s4;d5;s6;s4d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s16;s18;d19;s20;d21;s22;d23;d23;s23;s26;s26;s22;s19d29;s30;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-VEJUWRDUONFHHB_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799325,CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1,VEJUWRDUONFHHB,VEJUWRDUONFHHB-UHFFFAOYSA-N,"InChI=1S/C19H20FN3OS/c1-3-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(13-4-5-13)12(2)25-19(23)21-15/h6-10,13H,3-5,11H2,1-2H3","""AuxInfo=1/0/N:1,15,2,12,13,21,24,20,25,6,4,14,11,22,5,19,7,10,17,23,18,3,9,8,16/E:(4,5)(6,7)(8,9)/rA:25CCNCCCCONCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11s12;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-VEJUWRDUONFHHB_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799325,CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1,VEJUWRDUONFHHB,VEJUWRDUONFHHB-UHFFFAOYSA-N,"InChI=1S/C19H20FN3OS/c1-3-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(13-4-5-13)12(2)25-19(23)21-15/h6-10,13H,3-5,11H2,1-2H3","""AuxInfo=1/0/N:1,15,2,12,13,21,24,20,25,6,4,14,11,22,5,19,7,10,17,23,18,3,9,8,16/E:(4,5)(6,7)(8,9)/rA:25CCNCCCCONCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11s12;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-VEMQMLIJJSSQEM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901781,CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,VEMQMLIJJSSQEM,VEMQMLIJJSSQEM-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-4-23-19(24)22(15-20(23,2)3)18-13-12-17(14-21-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,4,15H2,1-3H3","""AuxInfo=1/0/N:1,23,24,2,16,15,17,14,18,12,11,9,8,19,21,13,10,7,4,22,20,6,3,5/E:(2,3)(6,7)(8,9)/rA:24CCNCONCCCCCCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;s3s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-VENXXTPWWLYJQA_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,10269028;CHEMBL218275,O=C(OCc1ccc(F)cc1)N1CCC(CNc2ncccn2)CC1,VENXXTPWWLYJQA,VENXXTPWWLYJQA-UHFFFAOYSA-N,"InChI=1S/C18H21FN4O2/c19-16-4-2-15(3-5-16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-1-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)","""AuxInfo=1/1/N:21,6,11,7,10,14,24,20,22,13,25,16,4,15,5,8,18,2,9,19,23,17,12,1,3/E:(2,3)(4,5)(6,7)(8,9)(10,11)(20,21)/rA:25OCOCCCCCFCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  7.745;  7.750,7.747999999999999,0.002,0.002,2.0,7.747999999999999,0.002
-VETYVISPRTYAAW_on_O15399_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_O60391_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_Q05586_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_Q12879_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_Q13224_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VETYVISPRTYAAW_on_Q14957_WT,Low,ChEMBL30,CHEMBL94860,NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O,VETYVISPRTYAAW,VETYVISPRTYAAW-UHFFFAOYSA-N,"InChI=1S/C7H8N6O4/c8-3(7(15)16)1-2-4(17-11-6(2)14)5-9-12-13-10-5/h3H,1,8H2,(H,11,14)(H,15,16)(H,9,10,12,13)","""AuxInfo=1/1/N:3,4,2,5,6,13,15,1,7,10,12,8,9,14,16,17,11/E:(9,10)(12,13)(15,16)/rA:17NCCCCCNNNNONCOCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;s6d9;s5;s11;s4d12;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VEUCJUFCARGBRL_on_P31644_WT,High,ChEMBL30,CHEMBL3681572,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccn2)no1,VEUCJUFCARGBRL,VEUCJUFCARGBRL-UHFFFAOYSA-N,"InChI=1S/C18H15F3N4O3/c1-11-13(16(25-28-11)14-4-2-3-7-22-14)9-27-15-6-5-12(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,23,24,22,8,7,25,18,4,13,2,9,3,21,6,20,10,14,15,16,17,26,19,12,27,11,5,28/E:(19,20,21)/rA:28CCCCOCCCCCONCCFFFCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-VEURHZYLLRSEGL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL188906,CCc1c(C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,VEURHZYLLRSEGL,VEURHZYLLRSEGL-UHFFFAOYSA-N,"InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3","""AuxInfo=1/0/N:1,5,18,2,14,20,9,15,19,8,23,21,4,3,13,10,22,16,7,11,6,12,17/E:(5,6)(8,9)/rA:23CCCCCNCCCCCOCCCCOCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s16;s13s19;d10;s7s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1772533,PMID:21172734,2011.0,PMID:21470858,2011,0,0,0,1,0,,=,  9.060,9.06,0.0,0.0,1.0,9.06,0.0
-VEVSQMSRVIORSA_on_Q14416_WT,High,ChEMBL30,CHEMBL3883435,Fc1ccc(C2CC(Oc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)C2)cc1,VEVSQMSRVIORSA,VEVSQMSRVIORSA-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O/c22-15-5-3-13(4-6-15)14-10-16(11-14)29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2","""AuxInfo=1/0/N:22,23,4,28,3,29,26,25,20,7,27,21,5,6,2,8,10,19,11,16,12,1,13,14,15,18,17,24,9/E:(1,2)(3,4)(5,6)(10,11)(23,24,25)/rA:29FCCCCCCCOCCCFFFCNNCCCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;d10;s11;s12;s12;s12;s11;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s10d25;s6s8;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-VEWBCNTUXMKBMD_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152122;71458417,FC(F)(F)Cc1cnc2c(Cl)c(-c3cc4c(c(Cl)c3)n(CC3CC3)cc4)ccn12,VEWBCNTUXMKBMD,VEWBCNTUXMKBMD-UHFFFAOYSA-N,"InChI=1S/C21H16Cl2F3N3/c22-17-8-14(7-13-3-5-28(19(13)17)11-12-1-2-12)16-4-6-29-15(9-21(24,25)26)10-27-20(29)18(16)23/h3-8,10,12H,1-2,9,11H2","""AuxInfo=1/0/N:23,24,26,27,25,28,14,19,5,7,21,22,15,13,6,12,17,10,16,9,2,18,11,1,3,4,8,20,29/E:(1,2)(24,25,26)/rA:29FCFFCCCNCCClCCCCCCClCNCCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;d10;s12;d13;s14;d15;s16;s17;s13d17;s16;s20;s21;s22;s22s23;s20;s15d25;s12;d27;s6s9s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  6.600;  6.602,6.601,0.001,0.001,2.0,6.601,0.001
-VEWLYIAEUXDQBW_on_O00591_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_O14764_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P14867_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P18505_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P18507_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P28472_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P31644_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P34903_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P47869_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P47870_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P48169_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_P78334_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_Q16445_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEWLYIAEUXDQBW_on_Q99928_WT,Low,ChEMBL30,CHEMBL84450,C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,VEWLYIAEUXDQBW,VEWLYIAEUXDQBW-UHFFFAOYSA-N,"InChI=1S/C19H20N2O4S/c1-3-4-7-23-18(22)14-11(2)21-17-15(16(14)20)12-5-6-19(10-13(12)26-17)24-8-9-25-19/h1H,4-10H2,2H3,(H2,20,21)","""AuxInfo=1/1/N:1,15,2,3,19,20,4,24,25,22,14,18,17,8,11,9,12,6,21,10,13,7,5,23,26,16/E:(8,9)(24,25)/rA:26CCCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s12;s8d13;s14;s12;s16;s11d17;s18;s19;s20;s17s21;s21;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-VEYCZBOQOUBOIW_on_Q14416_WT,High,ChEMBL30,CHEMBL2206437,Fc1cc(F)c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cc1,VEYCZBOQOUBOIW,VEYCZBOQOUBOIW-UHFFFAOYSA-N,"InChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2","""AuxInfo=1/0/N:20,21,28,27,8,26,24,9,25,23,18,3,19,7,2,6,4,11,17,12,14,13,1,5,16,15,10,22/E:(1,2)(5,6)(8,9)/rA:28FCCCFCCCCNCCClCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;s12;d14;s15;d16;s17;s18;s19;s19s20;s14s17;s22;s11d23;s10;s7s25;s6;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-VFBJFRMXGQEJGN_on_P31644_WT,High,ChEMBL30,CHEMBL3681430,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)c(F)c2)no1,VFBJFRMXGQEJGN,VFBJFRMXGQEJGN-UHFFFAOYSA-N,"InChI=1S/C19H14F5N3O3/c1-10-13(17(27-30-10)11-2-4-14(20)15(21)6-11)8-29-16-5-3-12(7-25-16)18(28)26-9-19(22,23)24/h2-7H,8-9H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,22,8,23,7,28,18,4,13,2,21,9,3,24,26,6,20,10,14,25,27,15,16,17,19,12,29,11,5,30/E:(22,23,24)/rA:30CCCCOCCCCCONCCFFFCNCCCCCFCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s26;s21d26;d20;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-VFHXPWOCQCSEPK_on_Q14416_WT,High,ChEMBL30,CHEMBL604993,Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2c1cccc2,VFHXPWOCQCSEPK,VFHXPWOCQCSEPK-UHFFFAOYSA-N,"InChI=1S/C21H22F3N3/c1-26-19-8-3-2-7-18(19)25-20(26)14-27-11-9-15(10-12-27)16-5-4-6-17(13-16)21(22,23)24/h2-8,13,15H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,26,25,11,10,12,27,24,7,19,6,20,18,4,8,9,13,22,23,3,14,15,16,17,21,2,5/E:(9,10)(11,12)(22,23,24)/rA:27CNCCNCCCCCCCCCFFFCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s14;s14;s9d13;s8;s5s19;d3;s21;s2d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.600;  7.000,6.3,0.7,0.7,2.0,6.3,0.7
-VFKHADGYGKHTDK_on_O00591_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_O14764_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P14867_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P18505_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P18507_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P28472_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P31644_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P34903_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P47869_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P47870_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P48169_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_P78334_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_Q16445_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFKHADGYGKHTDK_on_Q99928_WT,Low,ChEMBL30,CHEMBL184619,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1,VFKHADGYGKHTDK,VFKHADGYGKHTDK-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2F3N3S/c1-9-3-5-10(6-4-9)14-16(24)26(25-17(14)27-2)15-12(19)7-11(8-13(15)20)18(21,22)23/h3-8H,24H2,1-2H3","""AuxInfo=1/0/N:25,1,23,26,22,27,9,15,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,19,4,5,2/E:(3,4)(5,6)(7,8)(12,13)(19,20)(21,22,23)/rA:27CSCNNCCClCCCFFFCCClCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-VFLGZRPFQPTNNZ_on_P41594_WT,High,ChEMBL30,CHEMBL1290441,O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1,VFLGZRPFQPTNNZ,VFLGZRPFQPTNNZ-UHFFFAOYSA-N,"InChI=1S/C19H22N2O2/c22-19(16-23-15-17-7-3-1-4-8-17)21-13-11-20(12-14-21)18-9-5-2-6-10-18/h1-10H,11-16H2","""AuxInfo=1/0/N:9,19,8,10,18,20,7,11,17,21,14,22,13,23,5,3,6,16,2,15,12,1,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23OCCOCCCCCCCNCCNCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.150,5.15,0.0,0.0,1.0,5.15,0.0
-VFOVTLYQZFVYSA_on_P31644_WT,High,ChEMBL30,CHEMBL3681487,COCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,VFOVTLYQZFVYSA,VFOVTLYQZFVYSA-UHFFFAOYSA-N,"InChI=1S/C20H21N3O4/c1-14-17(19(23-27-14)15-6-4-3-5-7-15)13-26-18-9-8-16(12-22-18)20(24)21-10-11-25-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:16,1,23,22,24,21,25,9,10,4,3,27,13,15,20,8,14,11,19,6,5,26,18,7,2,12,17/E:(4,5)(6,7)/rA:27COCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s15;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-VFSSAQRKQCJMGA_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003324;CHEMBL1672244,O=C(Nc1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1,VFSSAQRKQCJMGA,VFSSAQRKQCJMGA-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3O2/c20-15-12-14(22-19(25)17-8-4-5-11-21-17)9-10-16(15)23-18(24)13-6-2-1-3-7-13/h1-12H,(H,22,25)(H,23,24)","""AuxInfo=1/1/N:23,22,24,13,14,21,25,12,6,5,15,17,20,7,18,4,11,2,9,19,16,8,3,1,10/E:(2,3)(6,7)/rA:25OCNCCCCNCOCCCCCNCCClCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s7;s4d17;s18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  6.442;  6.440,6.441,0.001,0.001,2.0,6.441,0.001
-VFVQWGWIUKNUPH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3941960,CCc1c(S(=O)(=O)Cc2ccc(C)cc2)sc(NC(=O)c2ccccn2)n1,VFVQWGWIUKNUPH,VFVQWGWIUKNUPH-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3S2/c1-3-15-18(27(24,25)12-14-9-7-13(2)8-10-14)26-19(21-15)22-17(23)16-6-4-5-11-20-16/h4-11H,3,12H2,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,13,2,23,24,22,11,14,10,15,25,8,12,9,3,21,19,4,17,26,27,18,20,6,7,16,5/E:(7,8)(9,10)(24,25)/CRV:27.6/rA:27CCCCSOOCCCCCCCCSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;d11;s12;s12;s9d14;s4;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s3d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-VFWHRLINFIBILX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3921007,O=C(c1cc(C(F)(F)F)ccc1)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl,VFWHRLINFIBILX,VFWHRLINFIBILX-UHFFFAOYSA-N,"InChI=1S/C20H12ClF3N4O/c21-15-10-13(26-19-17-16(27-28-19)5-2-8-25-17)6-7-14(15)18(29)11-3-1-4-12(9-11)20(22,23)24/h1-10H,(H2,26,27,28)","""AuxInfo=1/1/N:11,22,12,10,23,15,14,21,4,27,3,5,16,13,28,24,19,2,18,6,29,7,8,9,20,17,25,26,1/E:(22,23,24)/rA:29OCCCCCFFFCCCCCCCNCCNCCCCNNCCCl/rB:d1;s2;d3;s4;s5;s6;s6;s6;d5;s10;s3d11;s2;d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s19s23;d24;s18s25;s16;s13d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-VFWOXQNFPHOBLO_on_P14867_WT,Low,ChEMBL30,CHEMBL1783215;CHEMBL1783196;CHEMBL3936198;CHEMBL3936198;CHEMBL1783215;CHEMBL1783196;CHEMBL3908266;CHEMBL3908266,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N,VFWOXQNFPHOBLO,VFWOXQNFPHOBLO-UHFFFAOYSA-N,"InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;w?21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  5.690;  6.890;  7.250;  6.320;  6.300;  7.600;  5.020;  5.920,6.374,0.795,0.3,8.0,6.31,0.6
-VFWOXQNFPHOBLO_on_P18507_WT,Low,ChEMBL30,CHEMBL1783215;CHEMBL1783215;CHEMBL1783196;CHEMBL3908266;CHEMBL3908266;CHEMBL3936198;CHEMBL1783196;CHEMBL3936198,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N,VFWOXQNFPHOBLO,VFWOXQNFPHOBLO-UHFFFAOYSA-N,"InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;w?21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  6.300;  5.690;  7.600;  5.920;  5.020;  6.320;  6.890;  7.250,6.374,0.795,0.3,8.0,6.31,0.6
-VFWOXQNFPHOBLO_on_P47870_WT,Low,ChEMBL30,CHEMBL3936198;CHEMBL3908266;CHEMBL1783215;CHEMBL1783196;CHEMBL1783196;CHEMBL1783215;CHEMBL3936198;CHEMBL3908266,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N,VFWOXQNFPHOBLO,VFWOXQNFPHOBLO-UHFFFAOYSA-N,"InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;w?21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.250;  5.920;  6.300;  7.600;  6.890;  5.690;  6.320;  5.020,6.374,0.795,0.3,8.0,6.31,0.6
-VFXGJBMGVJCVPD_on_P41594_WT,Low,ChEMBL30,CHEMBL3758435,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)cc2F)occ1,VFXGJBMGVJCVPD,VFXGJBMGVJCVPD-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-6-7-28-17(10)18(25)23-16-5-3-12(9-15(16)22)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,9,20,8,28,27,16,23,2,17,10,14,15,24,7,3,4,12,21,18,25,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCFCCCOCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3762452,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VFXGJBMGVJCVPD_on_Q13255_WT,High,ChEMBL30,CHEMBL3758435,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)cc2F)occ1,VFXGJBMGVJCVPD,VFXGJBMGVJCVPD-UHFFFAOYSA-N,"InChI=1S/C20H12F2N2O4/c1-10-6-7-28-17(10)18(25)23-16-5-3-12(9-15(16)22)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,9,20,8,28,27,16,23,2,17,10,14,15,24,7,3,4,12,21,18,25,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCFCCCOCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.710;  4.710,6.21,1.5,1.5,2.0,6.21,1.5
-VFZLFQOBMMOQQX_on_P14867_WT,Low,ChEMBL30,CHEMBL202070,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,VFZLFQOBMMOQQX,VFZLFQOBMMOQQX-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,3,21,19,24,6,2,12,8,18,13,7,4,20,5,23,22/rA:24CCCCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-VFZLFQOBMMOQQX_on_P18507_WT,Low,ChEMBL30,CHEMBL202070,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,VFZLFQOBMMOQQX,VFZLFQOBMMOQQX-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,3,21,19,24,6,2,12,8,18,13,7,4,20,5,23,22/rA:24CCCCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853068;CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  7.890;  7.720,7.805,0.085,0.085,2.0,7.805,0.085
-VFZLFQOBMMOQQX_on_P28472_WT,Low,ChEMBL30,CHEMBL202070,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,VFZLFQOBMMOQQX,VFZLFQOBMMOQQX-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,3,21,19,24,6,2,12,8,18,13,7,4,20,5,23,22/rA:24CCCCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853068;CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  7.890;  7.720,7.805,0.085,0.085,2.0,7.805,0.085
-VFZLFQOBMMOQQX_on_P47869_WT,Low,ChEMBL30,CHEMBL202070,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1,VFZLFQOBMMOQQX,VFZLFQOBMMOQQX-UHFFFAOYSA-N,"InChI=1S/C20H14N4/c1-14-9-20-22-13-19(24(20)23-12-14)16-7-4-6-15(10-16)18-8-3-2-5-17(18)11-21/h2-10,12-13H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,3,21,19,24,6,2,12,8,18,13,7,4,20,5,23,22/rA:24CCCCNCCCCCCCCCCCCCCNCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VFZONVUYRRKUEK_on_P41594_WT,High,ChEMBL30,CHEMBL3603924,N#Cc1cnc(-c2ncnc(-c3cc(C#N)cc(Cl)c3)c2)cc1,VFZONVUYRRKUEK,VFZONVUYRRKUEK-UHFFFAOYSA-N,"InChI=1S/C17H8ClN5/c18-14-4-12(8-20)3-13(5-14)16-6-17(23-10-22-16)15-2-1-11(7-19)9-21-15/h1-6,9-10H","""AuxInfo=1/0/N:23,22,13,17,20,21,2,15,4,9,3,14,12,18,6,11,7,19,1,16,5,10,8/rA:23NCCCNCCNCNCCCCCNCCClCCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;d12;s13;s14;t15;d14;s17;s18;s12d18;s7d11;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  9.200;  9.200,9.2,0.0,0.0,2.0,9.2,0.0
-VGBUVXAWSOAHDB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71713763;CHEMBL2403581,O=C(N1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,VGBUVXAWSOAHDB,VGBUVXAWSOAHDB-UHFFFAOYSA-N,"InChI=1S/C20H21N3OS/c24-20(22-12-5-2-6-13-22)23-14-11-17-18(15-23)25-19(21-17)10-9-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,11-15H2","""AuxInfo=1/0/N:22,6,21,23,5,7,20,24,18,17,11,4,8,10,14,19,12,13,16,2,25,3,9,1,15/E:(3,4)(5,6)(7,8)(12,13)/rA:25OCNCCCCCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23770058,2014;2013,0,0;1,0,0,1;0,,=,  7.125;  7.120,7.122999999999999,0.003,0.003,2.0,7.122999999999999,0.002
-VGCLKYODUBTNNY_on_Q05586_WT,Medium,ChEMBL30,CHEMBL82626,CC(NCc1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O,VGCLKYODUBTNNY,VGCLKYODUBTNNY-UHFFFAOYSA-N,"InChI=1S/C11H13N4O7P/c1-5(23(20,21)22)12-4-6-2-7(15(18)19)3-8-9(6)14-11(17)10(16)13-8/h2-3,5,12H,4H2,1H3,(H,13,16)(H,14,17)(H2,20,21,22)","""AuxInfo=1/1/N:1,19,14,4,2,5,15,13,6,10,8,3,12,7,16,11,9,17,18,21,22,23,20/E:(18,19)(20,21,22)/CRV:15.5/rA:23CCNCCCNCOCONCCCN+OO-CPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;d16;s16;s5d15;s2;d20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-VGGIEUXCMQZQDL_on_P18507_WT,Low,ChEMBL30,CHEMBL565343,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,VGGIEUXCMQZQDL,VGGIEUXCMQZQDL-UHFFFAOYSA-N,"InChI=1S/C17H13BrN4O2/c1-2-24-17(23)16-14-5-10-7-19-8-20-15(10)12-6-11(18)3-4-13(12)22(14)9-21-16/h3-4,6-9H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,18,17,8,21,14,12,23,9,19,15,16,7,10,6,4,20,13,11,24,22,5,3/rA:24CCOCOCCCCCNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-VGGIEUXCMQZQDL_on_P28472_WT,Low,ChEMBL30,CHEMBL565343,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,VGGIEUXCMQZQDL,VGGIEUXCMQZQDL-UHFFFAOYSA-N,"InChI=1S/C17H13BrN4O2/c1-2-24-17(23)16-14-5-10-7-19-8-20-15(10)12-6-11(18)3-4-13(12)22(14)9-21-16/h3-4,6-9H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,18,17,8,21,14,12,23,9,19,15,16,7,10,6,4,20,13,11,24,22,5,3/rA:24CCOCOCCCCCNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-VGGIEUXCMQZQDL_on_P31644_WT,Low,ChEMBL30,CHEMBL565343,CCOC(=O)c1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1,VGGIEUXCMQZQDL,VGGIEUXCMQZQDL-UHFFFAOYSA-N,"InChI=1S/C17H13BrN4O2/c1-2-24-17(23)16-14-5-10-7-19-8-20-15(10)12-6-11(18)3-4-13(12)22(14)9-21-16/h3-4,6-9H,2,5H2,1H3","""AuxInfo=1/0/N:1,2,18,17,8,21,14,12,23,9,19,15,16,7,10,6,4,20,13,11,24,22,5,3/rA:24CCOCOCCCCCNCNCCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s10;d15;s16;d17;s18;s19;s15d19;s7s16;s22;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-VGKJRODLXOFOHC_on_P41594_WT,High,ChEMBL30,CHEMBL224798,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1,VGKJRODLXOFOHC,VGKJRODLXOFOHC-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-17-16-14(22(2)3)9-20-10-15(16)25-18(17)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,21,8,3,6,15,13,14,10,11,22,20,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCNCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-VGKJRODLXOFOHC_on_Q13255_WT,High,ChEMBL30,CHEMBL224798,CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1,VGKJRODLXOFOHC,VGKJRODLXOFOHC-UHFFFAOYSA-N,"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-17-16-14(22(2)3)9-20-10-15(16)25-18(17)19(23)24/h5-11H,4H2,1-3H3","""AuxInfo=1/0/N:1,17,18,2,4,25,5,24,19,21,8,3,6,15,13,14,10,11,22,20,9,16,7,23,12/E:(2,3)(5,6)(7,8)/rA:25CCCCCCNCNCCSCCCNCCCNCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-VGLZIALQGJEVFZ_on_P31644_WT,High,ChEMBL30,CHEMBL3676453,Cc1c(COc2ccccn2)c(-c2ccccc2)no1,VGLZIALQGJEVFZ,VGLZIALQGJEVFZ-UHFFFAOYSA-N,"InChI=1S/C16H14N2O2/c1-12-14(11-19-15-9-5-6-10-17-15)16(18-20-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,8,9,14,18,7,10,4,2,13,3,6,12,11,19,5,20/E:(3,4)(7,8)/rA:20CCCCOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s3;s12;d13;s14;d15;s16;s13d17;d12;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-VGMOQZOTFPVRIW_on_Q14416_WT,High,ChEMBL30,CHEMBL3884042,Clc1c(OCc2cc(-c3cncnc3)ccc2)ccn2c(CC3CC3)nnc12,VGMOQZOTFPVRIW,VGMOQZOTFPVRIW-UHFFFAOYSA-N,"InChI=1S/C21H18ClN5O/c22-20-18(6-7-27-19(9-14-4-5-14)25-26-21(20)27)28-12-15-2-1-3-16(8-15)17-10-23-13-24-11-17/h1-3,6-8,10-11,13-14H,4-5,9,12H2","""AuxInfo=1/0/N:16,17,15,24,25,18,19,7,22,10,14,5,12,23,6,8,9,3,21,2,28,1,11,13,26,27,20,4/E:(4,5)(10,11)(23,24)/rA:28ClCCOCCCCCCNCNCCCCCCNCCCCCNNC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;s3;d18;s19;s20;s21;s22;s23;s23s24;d21;s26;s2s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-VGNVRWVRGFTTOF_on_P31644_WT,High,ChEMBL30,CHEMBL3681517,Cc1c(COc2ccc(C(=O)NCCNC(=O)OC(C)(C)C)cn2)c(-c2ccccc2)no1,VGNVRWVRGFTTOF,VGNVRWVRGFTTOF-UHFFFAOYSA-N,"InChI=1S/C24H28N4O5/c1-16-19(21(28-33-16)17-8-6-5-7-9-17)15-31-20-11-10-18(14-27-20)22(29)25-12-13-26-23(30)32-24(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,25,29)(H,26,30)","""AuxInfo=1/1/N:1,20,21,22,29,28,30,27,31,8,7,13,14,23,4,2,26,9,3,6,25,10,16,19,12,15,24,32,11,17,5,18,33/E:(2,3,4)(6,7)(8,9)/rA:33CCCCOCCCCCONCCNCOOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;s16;s18;s19;s19;s19;s9;s6d23;s3;s25;d26;s27;d28;s29;s26d30;d25;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-VGSHGMJKSVXBDR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798502,CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12,VGSHGMJKSVXBDR,VGSHGMJKSVXBDR-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O2S/c1-4-21-18(26)17-12(3)27-19-22-14(10-16(25)24(17)19)11-23(5-2)15-8-6-13(20)7-9-15/h6-10H,4-5,11H2,1-3H3,(H,21,26)","""AuxInfo=1/1/N:1,16,8,2,15,19,22,18,23,24,13,7,20,12,17,25,6,4,10,21,3,11,14,27,26,5,9/E:(6,7)(8,9)/rA:27CCNCOCCCSCNCCNCCCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s15;s14;d17;s18;d19;s20;s20;s17d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VGSHGMJKSVXBDR_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798502,CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12,VGSHGMJKSVXBDR,VGSHGMJKSVXBDR-UHFFFAOYSA-N,"InChI=1S/C19H21FN4O2S/c1-4-21-18(26)17-12(3)27-19-22-14(10-16(25)24(17)19)11-23(5-2)15-8-6-13(20)7-9-15/h6-10H,4-5,11H2,1-3H3,(H,21,26)","""AuxInfo=1/1/N:1,16,8,2,15,19,22,18,23,24,13,7,20,12,17,25,6,4,10,21,3,11,14,27,26,5,9/E:(6,7)(8,9)/rA:27CCNCOCCCSCNCCNCCCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s15;s14;d17;s18;d19;s20;s20;s17d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VGUIQEVHYUUIPY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3915624,O=C(NC12CC3CC(CC(C#Cc4ccccn4)(C3)C1)C2)c1cnccn1,VGUIQEVHYUUIPY,VGUIQEVHYUUIPY-UHFFFAOYSA-N,"InChI=1S/C22H22N4O/c27-20(19-14-23-7-8-25-19)26-22-12-16-9-17(13-22)11-21(10-16,15-22)5-4-18-3-1-2-6-24-18/h1-3,6-8,14,16-17H,9-13,15H2,(H,26,27)","""AuxInfo=1/1/N:15,16,14,12,11,17,25,26,7,9,19,21,5,23,20,8,6,13,22,2,10,4,24,18,27,3,1/E:(10,11)(12,13)(16,17)/rA:27OCNCCCCCCCCCCCCCCNCCCCCNCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6s10;s4s10;s4s8;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-VGURZLASLJXNAV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2408569;57388899,CC1CC(=O)c2c(C1)nc(Nc1ccc(C#N)cc1)nc2,VGURZLASLJXNAV,VGURZLASLJXNAV-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-10-6-14-13(15(21)7-10)9-18-16(20-14)19-12-4-2-11(8-17)3-5-12/h2-5,9-10H,6-7H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,14,18,13,19,8,3,16,21,2,15,12,6,7,4,10,17,20,11,9,5/E:(2,3)(4,5)/rA:21CCCCOCCCNCNCCCCCNCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;t16;s15;s12d18;s10;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491;PubChemAID:762832,PMID:23856046,2013.0,PMID:23856046;PubChemAID:762832,2013;2014,1;0,0,0,0,0;1,,=,  7.080;  7.080,7.08,0.0,0.0,2.0,7.08,0.0
-VGVATPLQIZGDGK_on_O00591_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_O14764_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P14867_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P18505_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P18507_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P28472_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P31644_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P34903_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P47869_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P47870_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P48169_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_P78334_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.630;  4.620,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGVATPLQIZGDGK_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322877,CCCCc1c(C(=O)O)cnc(N)c1,VGVATPLQIZGDGK,VGVATPLQIZGDGK-UHFFFAOYSA-N,"InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)","""AuxInfo=1/1/N:1,2,3,4,14,10,5,6,12,7,13,11,8,9/E:(13,14)/rA:14CCCCCCCOOCNCNC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s6;d10;s11;s12;s5d12;/rC:;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  4.620;  4.630,4.625,0.005,0.005,2.0,4.625,0.005
-VGZQARXDBOOWBF_on_O00591_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_O14764_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P14867_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P18505_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P18507_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P28472_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P31644_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P34903_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P47869_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P47870_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P48169_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_P78334_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_Q16445_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VGZQARXDBOOWBF_on_Q99928_WT,Low,ChEMBL30,CHEMBL146145,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12,VGZQARXDBOOWBF,VGZQARXDBOOWBF-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-3-6-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-1-4-12(21)5-2-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:6,11,19,7,10,18,22,4,15,5,20,8,23,14,17,12,2,21,16,3,9,13,1/E:(1,2)(4,5)/rA:23OCNCCCCCOCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-VHAMFIBHKMACOJ_on_P41594_WT,High,ChEMBL30,CHEMBL3603919,N#Cc1cc(Cl)cc(-c2cc(-c3ncccc3)ncn2)c1,VHAMFIBHKMACOJ,VHAMFIBHKMACOJ-UHFFFAOYSA-N,"InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H","""AuxInfo=1/0/N:16,15,17,14,21,4,7,10,2,19,3,8,5,12,9,11,6,1,13,20,18/rA:21NCCCCClCCCCCCNCCCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s9d19;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566;CHEMBL4320878,PMID:26225459,2015.0,PMID:26225459;PMID:26225459;PMID:30807144,2015;2015;2019,1;0;1,0,0,0;1;0,0,,=,  8.600;  8.500;  8.500,8.533,0.047,0.033,3.0,8.5,0.0
-VHBFFQKBGNRLFZ_on_O00591_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_O14764_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P14867_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P18505_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P18507_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P28472_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P31644_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P34903_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P47869_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL652513;CHEMBL877825,PMID:10508425,1999.0,PMID:10508425;PMID:11384234,1999;2001,0,0,0,1,0,,=,  7.770;  6.000,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P47870_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P48169_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_P78334_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHBFFQKBGNRLFZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL275638,O=c1cc(-c2ccccc2)oc2c1cccc2,VHBFFQKBGNRLFZ,VHBFFQKBGNRLFZ-UHFFFAOYSA-N,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,"""AuxInfo=1/0/N:8,7,9,15,16,6,10,14,17,3,5,13,2,12,4,1,11/E:(2,3)(6,7)/rA:17OCCCCCCCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825;CHEMBL652513,PMID:10508425,1999.0,PMID:11384234;PMID:10508425,2001;1999,0,0,0,1,0,,=,  6.000;  7.770,6.885,0.885,0.885,2.0,6.885,0.885
-VHCVGUDWLQNWIQ_on_Q14416_WT,Low,ChEMBL30,CHEMBL315032,NC1(C(=O)O)CCC(CC(=O)O)C1,VHCVGUDWLQNWIQ,VHCVGUDWLQNWIQ-UHFFFAOYSA-N,"InChI=1S/C8H13NO4/c9-8(7(12)13)2-1-5(4-8)3-6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,6,9,13,8,10,3,2,1,11,12,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718217,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.914,3.9139999999999997,0.0,0.0,1.0,3.9139999999999997,0.0
-VHCWLHRZDCQZHQ_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647541,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1,VHCWLHRZDCQZHQ,VHCWLHRZDCQZHQ-UHFFFAOYSA-N,"InChI=1S/C22H19FN4O2S/c1-2-30(28,29)17-8-3-14(4-9-17)18-11-15(5-10-20(18)23)19-12-25-26-22-21(19)24-13-27(22)16-6-7-16/h3-5,8-13,16H,2,6-7H2,1H3","""AuxInfo=1/0/N:1,2,8,29,25,23,24,7,30,26,11,14,20,9,12,22,6,10,13,27,18,17,28,19,15,16,21,4,5,3/E:(3,4)(6,7)(8,9)(28,29)/CRV:30.6/rA:30CCSOOCCCCCCCCCNNCCNCNCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22s23;d12;s25;s10d26;s27;s9;s6d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-VHGIDFXNMYWNMX_on_P18507_WT,Low,ChEMBL30,CHEMBL1783280,CCCNC(=O)c1nnc2c(-c3c(OC)ccnc3)cccc2c1N,VHGIDFXNMYWNMX,VHGIDFXNMYWNMX-UHFFFAOYSA-N,"InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)","""AuxInfo=1/1/N:1,15,2,21,20,22,16,3,17,19,11,23,12,13,24,10,7,5,25,18,4,9,8,6,14/rA:25CCCNCOCNNCCCCOCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.650,8.65,0.0,0.0,1.0,8.65,0.0
-VHGIDFXNMYWNMX_on_P28472_WT,Low,ChEMBL30,CHEMBL1783280,CCCNC(=O)c1nnc2c(-c3c(OC)ccnc3)cccc2c1N,VHGIDFXNMYWNMX,VHGIDFXNMYWNMX-UHFFFAOYSA-N,"InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)","""AuxInfo=1/1/N:1,15,2,21,20,22,16,3,17,19,11,23,12,13,24,10,7,5,25,18,4,9,8,6,14/rA:25CCCNCOCNNCCCCOCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.650,8.65,0.0,0.0,1.0,8.65,0.0
-VHGIDFXNMYWNMX_on_P47869_WT,High,ChEMBL30,CHEMBL1783280,CCCNC(=O)c1nnc2c(-c3c(OC)ccnc3)cccc2c1N,VHGIDFXNMYWNMX,VHGIDFXNMYWNMX-UHFFFAOYSA-N,"InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)","""AuxInfo=1/1/N:1,15,2,21,20,22,16,3,17,19,11,23,12,13,24,10,7,5,25,18,4,9,8,6,14/rA:25CCCNCOCNNCCCCOCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;s13;d16;s17;s12d18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.650,8.65,0.0,0.0,1.0,8.65,0.0
-VHLZFPSQZYFKFU_on_Q14833_WT,High,ExCAPE-DB,45484641,Oc1c2CCCCc2c(O)n1-c1cc(Cl)cc(Cl)c1,VHLZFPSQZYFKFU,VHLZFPSQZYFKFU-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2NO2/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(17)19/h5-7,18-19H,1-4H2","""AuxInfo=1/0/N:5,6,4,7,16,13,19,14,17,12,3,8,2,9,15,18,11,1,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(18,19)/rA:19OCCCCCCCCONCCCClCCClC/rB:s1;d2;s3;s4;s5;s6;s3s7;d8;s9;s2s9;s11;d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,,=,  5.481,5.481,0.0,0.0,1.0,5.481,0.0
-VHQCVUYEMJHQEX_on_O00591_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_O14764_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P14867_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P18505_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P18507_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P28472_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P31644_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P34903_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P47869_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P47870_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P48169_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_P78334_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_Q16445_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHQCVUYEMJHQEX_on_Q99928_WT,Low,ChEMBL30,CHEMBL57089,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2,VHQCVUYEMJHQEX,VHQCVUYEMJHQEX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VHRAAXPEOJDMOL_on_Q14416_WT,High,ChEMBL30,CHEMBL1669388,CCCn1ccc2c(c(Cl)cc(-c3ccc(N(C)C)nc3)c2)c1=O,VHRAAXPEOJDMOL,VHRAAXPEOJDMOL-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-4-8-23-9-7-13-10-15(11-16(20)18(13)19(23)24)14-5-6-17(21-12-14)22(2)3/h5-7,9-12H,4,8H2,1-3H3","""AuxInfo=1/0/N:1,18,19,2,14,15,6,3,5,22,11,21,7,13,12,9,16,8,23,10,20,17,4,24/E:(2,3)/rA:24CCCNCCCCCClCCCCCCNCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s17;s16;s13d20;s7d12;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-VIDCCFPXTJYGKC_on_Q13255_WT,High,ChEMBL30,CHEMBL3759656,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cn[nH]4)cc3Cl)C(=O)c2c1,VIDCCFPXTJYGKC,VIDCCFPXTJYGKC-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,19,2,17,12,5,27,23,9,16,14,6,25,24,20,13,21,8,15,7,26/rA:28CCCCCCONCCCCNCOCCCCNNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  6.250;  6.250,6.25,0.0,0.0,2.0,6.25,0.0
-VIDCCFPXTJYGKC_on_Q14833_WT,High,ChEMBL30,CHEMBL3759656,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cn[nH]4)cc3Cl)C(=O)c2c1,VIDCCFPXTJYGKC,VIDCCFPXTJYGKC-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O3/c1-10-3-5-13-14(7-10)20(28)25(19(13)27)16-6-4-12(8-15(16)21)23-18(26)17-11(2)9-22-24-17/h3-9H,1-2H3,(H,22,24)(H,23,26)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,19,2,17,12,5,27,23,9,16,14,6,25,24,20,13,21,8,15,7,26/rA:28CCCCCCONCCCCNCOCCCCNNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.560,5.56,0.0,0.0,1.0,5.56,0.0
-VIEKPLVJCPXIIB_on_O00591_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_O14764_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P14867_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P18505_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P18507_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P28472_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P31644_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P34903_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P47869_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P47870_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P48169_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_P78334_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_Q16445_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIEKPLVJCPXIIB_on_Q99928_WT,Low,ChEMBL30,CHEMBL80738,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2,VIEKPLVJCPXIIB,VIEKPLVJCPXIIB-UHFFFAOYSA-N,"InChI=1S/C20H21N5/c1-24-9-3-4-15(24)10-14-12-22-18-7-6-16(11-17(14)18)25-13-23-19-5-2-8-21-20(19)25/h2,5-8,11-13,15,22H,3-4,9-10H2,1H3","""AuxInfo=1/0/N:1,20,4,5,19,24,25,21,3,7,13,9,16,8,6,14,12,11,18,23,22,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCNCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VIFMHLABYKWPLL_on_P31644_WT,High,ChEMBL30,CHEMBL3676538,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccc(F)c2)no1,VIFMHLABYKWPLL,VIFMHLABYKWPLL-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O3/c1-11-15(17(26-29-11)12-3-2-4-14(20)7-12)9-28-16-6-5-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,22,24,8,7,27,18,4,13,2,21,9,25,3,6,20,10,14,26,15,16,17,19,12,28,11,5,29/E:(21,22,23)/rA:29CCCCOCCCCCONCCFFFCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s25;s21d25;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-VIIKXOMKTCBGQP_on_O00222_WT,Medium,ChEMBL30,CHEMBL99462,CCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VIIKXOMKTCBGQP,VIIKXOMKTCBGQP-UHFFFAOYSA-N,"InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,2,16,24,17,25,3,15,23,18,26,12,14,22,4,13,19,21,5,9,6,27,10,11,7,8,28,29,20/E:(3,4)(5,6)(8,9)(10,11)(13,14)(17,18)(25,26)(27,28)/rA:29CCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s9;s10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;s10;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.650,5.65,0.0,0.0,1.0,5.65,0.0
-VIIKXOMKTCBGQP_on_P41594_WT,Low,ChEMBL30,CHEMBL99462,CCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VIIKXOMKTCBGQP,VIIKXOMKTCBGQP-UHFFFAOYSA-N,"InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,2,16,24,17,25,3,15,23,18,26,12,14,22,4,13,19,21,5,9,6,27,10,11,7,8,28,29,20/E:(3,4)(5,6)(8,9)(10,11)(13,14)(17,18)(25,26)(27,28)/rA:29CCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s9;s10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;s10;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VIIKXOMKTCBGQP_on_Q13255_WT,Low,ChEMBL30,CHEMBL99462,CCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VIIKXOMKTCBGQP,VIIKXOMKTCBGQP-UHFFFAOYSA-N,"InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,2,16,24,17,25,3,15,23,18,26,12,14,22,4,13,19,21,5,9,6,27,10,11,7,8,28,29,20/E:(3,4)(5,6)(8,9)(10,11)(13,14)(17,18)(25,26)(27,28)/rA:29CCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s9;s10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;s10;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VIIKXOMKTCBGQP_on_Q14831_WT,Medium,ChEMBL30,CHEMBL99462,CCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VIIKXOMKTCBGQP,VIIKXOMKTCBGQP-UHFFFAOYSA-N,"InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)","""AuxInfo=1/1/N:1,2,16,24,17,25,3,15,23,18,26,12,14,22,4,13,19,21,5,9,6,27,10,11,7,8,28,29,20/E:(3,4)(5,6)(8,9)(10,11)(13,14)(17,18)(25,26)(27,28)/rA:29CCCCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s9;s10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s13d21;s22;d23;s24;s21d25;s10;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-VIJUWKIVYPEVLF_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44155420;CHEMBL1096423,CCCCCCC1CN(c2cccc(C)c2)C(=O)O1,VIJUWKIVYPEVLF,VIJUWKIVYPEVLF-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-3-4-5-6-10-15-12-17(16(18)19-15)14-9-7-8-13(2)11-14/h7-9,11,15H,3-6,10,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,3,4,5,12,13,11,6,16,8,14,10,7,17,9,18,19/rA:19CCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s10d14;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.194;  6.190,6.192,0.002,0.002,2.0,6.192,0.002
-VIJXPVHZPCETRP_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628097,CC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,VIJXPVHZPCETRP,VIJXPVHZPCETRP-UHFFFAOYSA-N,"InChI=1S/C23H19ClN2O4/c1-23(2,3)19-11-10-18(30-19)20(27)25-13-8-9-17(16(24)12-13)26-21(28)14-6-4-5-7-15(14)22(26)29/h4-12H,1-3H3,(H,25,27)","""AuxInfo=1/1/N:1,3,4,22,23,21,24,13,14,7,6,29,12,20,19,27,15,8,5,9,25,17,2,28,11,16,10,26,18,30/E:(1,2,3)(4,5)(6,7)(14,15)(21,22)(28,29)/rA:30CCCCCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s16s20;d25;s15;s27;s12d27;s5s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-VIKSLSILXQPMEI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL570541;45270430,O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1,VIKSLSILXQPMEI,VIKSLSILXQPMEI-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c21-18(20-10-12-22-13-11-20)16-7-9-17(19-14-16)8-6-15-4-2-1-3-5-15/h1-5,7,9,14H,10-13H2","""AuxInfo=1/0/N:12,11,13,10,14,8,4,7,5,18,22,19,21,16,9,3,6,2,15,17,1,20/E:(2,3)(4,5)(10,11)(12,13)/rA:22OCCCCCCCCCCCCCNCNCCOCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;PubChemAID:420101,PMID:19443216,2009.0,PMID:19443216;PubChemAID:420101,2009;2010,0,1;0,0,0,0;1,,=,  6.000;  6.004,6.002000000000001,0.002,0.002,2.0,6.002000000000001,0.002
-VILLJTFEJYBCOM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3956987,CC1(C)CN(c2ccc(C#Cc3cncc(F)c3)cn2)C(=O)O1,VILLJTFEJYBCOM,VILLJTFEJYBCOM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O2/c1-17(2)11-21(16(22)23-17)15-6-5-12(9-20-15)3-4-13-7-14(18)10-19-8-13/h5-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,10,11,8,7,18,13,19,15,4,9,12,16,6,21,2,17,14,20,5,22,23/E:(1,2)/rA:23CCCCNCCCCCCCCNCCFCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-VIMRCXXPTSILOA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL362527;11164167,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1,VIMRCXXPTSILOA,VIMRCXXPTSILOA-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O/c23-18-13-11-17(12-14-18)22(27)24-21-15-20(16-7-3-1-4-8-16)25-26(21)19-9-5-2-6-10-19/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,8,12,16,20,22,27,23,26,5,7,21,24,15,6,4,2,25,3,13,14,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27OCNCCCCCCCCCNNCCCCCCCCCCFCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;PubChemAID:240173,PMID:15537338,2004.0,PMID:15537338;PubChemAID:240173,2004;2010,0,1;0,0,0,0;1,,=,  7.520;  7.523,7.521,0.002,0.002,2.0,7.521,0.002
-VIMZQOMKOLTMJN_on_P41594_WT,High,ChEMBL30,CHEMBL566374,CCNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,VIMZQOMKOLTMJN,VIMZQOMKOLTMJN-UHFFFAOYSA-N,"InChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,14,2,18,23,19,22,25,10,6,17,20,8,9,4,15,12,21,3,7,5,24,13,16,11/E:(4,5)(6,7)/rA:25CCNCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s13;s13;d15;s15;d17;s18;d19;s20;s20;s17d22;s9d12;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1046438,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-VIMZQOMKOLTMJN_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL566374;16660140,CCNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,VIMZQOMKOLTMJN,VIMZQOMKOLTMJN-UHFFFAOYSA-N,"InChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,14,2,18,23,19,22,25,10,6,17,20,8,9,4,15,12,21,3,7,5,24,13,16,11/E:(4,5)(6,7)/rA:25CCNCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;s12;s13;s13;d15;s15;d17;s18;d19;s20;s20;s17d22;s9d12;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  8.430;  8.432,8.431000000000001,0.001,0.001,2.0,8.431000000000001,0.001
-VINUCJJPLQYRFQ_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681900,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCC2CC2)cc1,VINUCJJPLQYRFQ,VINUCJJPLQYRFQ-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2","""AuxInfo=1/0/N:13,12,14,11,22,23,3,25,4,24,16,20,21,2,5,9,17,10,8,18,1,15,7,6,19/E:(5,6)(7,8)(9,10)/rA:25ClCCCCNNCCCCCCCNCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;s20;s21;s21s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-VINUCJJPLQYRFQ_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681900,Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCC2CC2)cc1,VINUCJJPLQYRFQ,VINUCJJPLQYRFQ-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2","""AuxInfo=1/0/N:13,12,14,11,22,23,3,25,4,24,16,20,21,2,5,9,17,10,8,18,1,15,7,6,19/E:(5,6)(7,8)(9,10)/rA:25ClCCCCNNCCCCCCCNCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;d15;s8s16;s6d17;s18;s19;s20;s21;s21s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-VIRASHBCYHPIAR_on_O15399_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_O60391_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIRASHBCYHPIAR_on_Q14957_WT,Low,ChEMBL30,CHEMBL1195060,O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2,VIRASHBCYHPIAR,VIRASHBCYHPIAR-UHFFFAOYSA-N,"InChI=1S/C22H22FNO2/c23-19-8-6-18(7-9-19)20-16-21(25)22(26-20)11-14-24(15-12-22)13-10-17-4-2-1-3-5-17/h1-9,16H,10-15H2","""AuxInfo=1/0/N:22,21,23,20,24,6,11,7,10,18,14,26,17,15,25,3,19,5,8,4,2,13,9,16,1,12/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)/rA:26OCCCCCCCFCCOCCCNCCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s8;s5d10;s4;s2s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763615,DOI:10.1016/S0960-894X(01)80879-9,1993.0,DOI:10.1016/S0960-894X(01)80879-9,1993,0,0,0,1,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-VIUBOPUFZPTQKE_on_O15399_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.000;  5.040,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_O60391_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.000;  5.040,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.000;  5.040,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.000;  5.040,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  5.000,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  5.000,5.02,0.02,0.02,2.0,5.02,0.02
-VIUBOPUFZPTQKE_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180219,N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1,VIUBOPUFZPTQKE,VIUBOPUFZPTQKE-UHFFFAOYSA-N,"InChI=1S/C16H26N6O/c17-15(18)21-9-11-6-12(10-22-16(19)20)8-14(7-11)23-13-4-2-1-3-5-13/h6-8,13H,1-5,9-10H2,(H4,17,18,21)(H4,19,20,22)","""AuxInfo=1/1/N:20,19,21,18,22,7,14,23,9,5,8,6,17,15,11,2,12,13,1,3,10,4,16/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:23NCNNCCCCCNCNNCCOCCCCCCC/rB:d1;s2;s2;s4;s5;d6;s7;s8;s9;s10;d11;s11;d8;s14;s15;s16;s17;s18;s19;s20;s17s21;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.040;  5.000,5.02,0.02,0.02,2.0,5.02,0.02
-VIUGJJRYNQLKGU_on_P41594_WT,High,ChEMBL30,CHEMBL1951662,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O,VIUGJJRYNQLKGU,VIUGJJRYNQLKGU-UHFFFAOYSA-N,"InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCBrCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  5.110,5.11,0.0,0.0,1.0,5.11,0.0
-VIUGJJRYNQLKGU_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951662;16118123,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O,VIUGJJRYNQLKGU,VIUGJJRYNQLKGU-UHFFFAOYSA-N,"InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,21,17,22,9,13,8,14,19,16,12,4,5,11,6,23,20,7,2,15,24,10/E:(1,2)(3,4)(5,6)/rA:24CNCCCCNCCSCCCCNCCCCBrCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.240;  8.244,8.242,0.002,0.002,2.0,8.242,0.002
-VIYALWAZTQZAGV_on_P41594_WT,High,ChEMBL30,CHEMBL2346731,Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1,VIYALWAZTQZAGV,VIYALWAZTQZAGV-UHFFFAOYSA-N,"InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24)","""AuxInfo=1/1/N:16,1,10,11,9,20,23,19,24,15,2,21,18,12,8,4,5,22,13,3,14,7,17,6/E:(6,7)(8,9)/rA:24CCNCCONCCCCCFNCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;s8d12;d4;s15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-VIZDSLSEFNMSIJ_on_P14867_WT,Low,ChEMBL30,CHEMBL458321,CCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,VIZDSLSEFNMSIJ,VIZDSLSEFNMSIJ-UHFFFAOYSA-N,"InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,12,11,15,17,13,9,3,10,4,7,14,18,5,16,8/rA:18CCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s5;d7;s7;d9;s10;d11;s12;s13;s9d13;s4s10;s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-VIZDSLSEFNMSIJ_on_P18507_WT,Low,ChEMBL30,CHEMBL458321,CCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,VIZDSLSEFNMSIJ,VIZDSLSEFNMSIJ-UHFFFAOYSA-N,"InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,12,11,15,17,13,9,3,10,4,7,14,18,5,16,8/rA:18CCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s5;d7;s7;d9;s10;d11;s12;s13;s9d13;s4s10;s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-VIZDSLSEFNMSIJ_on_P28472_WT,Low,ChEMBL30,CHEMBL458321,CCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,VIZDSLSEFNMSIJ,VIZDSLSEFNMSIJ-UHFFFAOYSA-N,"InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,12,11,15,17,13,9,3,10,4,7,14,18,5,16,8/rA:18CCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s5;d7;s7;d9;s10;d11;s12;s13;s9d13;s4s10;s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-VIZDSLSEFNMSIJ_on_P31644_WT,Medium,ChEMBL30,CHEMBL458321,CCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,VIZDSLSEFNMSIJ,VIZDSLSEFNMSIJ-UHFFFAOYSA-N,"InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3","""AuxInfo=1/0/N:1,6,2,12,11,15,17,13,9,3,10,4,7,14,18,5,16,8/rA:18CCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s5;d7;s7;d9;s10;d11;s12;s13;s9d13;s4s10;s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-VIZLJRKNMSCNCX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913983,CCc1c(S(=O)(=O)Cc2c(C)cc(C)cc2C)sc(NC(=O)c2ccccn2)n1,VIZLJRKNMSCNCX,VIZLJRKNMSCNCX-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3S2/c1-5-17-20(28-21(23-17)24-19(25)18-8-6-7-9-22-18)29(26,27)12-16-14(3)10-13(2)11-15(16)4/h6-11H,5,12H2,1-4H3,(H,23,24,25)","""AuxInfo=1/1/N:1,14,11,17,2,25,26,24,27,12,15,8,13,10,16,9,3,23,21,4,19,28,29,20,22,6,7,18,5/E:(3,4)(10,11)(14,15)(26,27)/CRV:29.6/rA:29CCCCSOOCCCCCCCCCCSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;s10;d12;s13;s13;s9d15;s16;s4;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-VIZRBMGIJCAOEN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44453628;CHEMBL402082,CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(C#N)c3)c2c1,VIZRBMGIJCAOEN,VIZRBMGIJCAOEN-UHFFFAOYSA-N,"InChI=1S/C20H15N3O2/c1-3-25-20(24)17-10-19-18(22-14(2)12-23(19)13-17)8-7-15-5-4-6-16(9-15)11-21/h4-6,9-10,12-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,17,19,15,14,23,25,21,9,7,10,16,20,6,13,24,4,22,12,8,5,3/rA:25CCOCOCCNCCCNCCCCCCCCCNCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s20;t21;s16d20;s8s13;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:319891;CHEMBL934506,PMID:18304814,2008.0,PubChemAID:319891;PMID:18304814,2010;2008,0;1,0,0,0,1;0,,=,  8.500;  8.500,8.5,0.0,0.0,2.0,8.5,0.0
-VJCZZCNDIYFAPL_on_P41594_WT,High,ChEMBL30,CHEMBL3660256,O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)ccn1,VJCZZCNDIYFAPL,VJCZZCNDIYFAPL-UHFFFAOYSA-N,"InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)","""AuxInfo=1/1/N:6,5,21,22,12,9,16,20,18,7,13,15,11,4,2,8,17,19,23,10,3,1,14/E:(7,8)(17,18)/rA:23OCNCCCCFCNCCCOCCNCNCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d13;s21;s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-VJDFNJSIGRMOSP_on_Q14416_WT,High,ChEMBL30,CHEMBL4089612,CCOCc1nnc2c(Cl)c(-c3cc(F)c(Oc4c(C)nc(C)cc4)cc3)ccn12,VJDFNJSIGRMOSP,VJDFNJSIGRMOSP-UHFFFAOYSA-N,"InChI=1S/C22H20ClFN4O2/c1-4-29-12-20-26-27-22-21(23)16(9-10-28(20)22)15-6-8-19(17(24)11-15)30-18-7-5-13(2)25-14(18)3/h5-11H,4,12H2,1-3H3","""AuxInfo=1/0/N:1,23,20,2,24,27,25,26,28,29,13,4,22,19,12,11,14,18,16,5,9,8,10,15,21,6,7,30,3,17/rA:30CCOCCNNCCClCCCCFCOCCCNCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;d12;s13;s14;d14;s16;s17;d18;s19;s19;d21;s22;s22;s18d24;s16;s12d26;s11;d28;s5s8s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.600;  7.130;  8.190,7.64,0.434,0.307,3.0,7.6,0.47
-VJDGLZQRHKVCOC_on_Q14416_WT,High,ChEMBL30,CHEMBL2029815,CCCCn1ccc(-c2cc(Cl)c(Oc3cc(C)ncc3)cc2)c(C#N)c1=O,VJDGLZQRHKVCOC,VJDGLZQRHKVCOC-UHFFFAOYSA-N,"InChI=1S/C22H20ClN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3","""AuxInfo=1/0/N:1,18,2,3,23,22,21,7,20,4,6,16,10,25,17,9,15,8,24,11,13,27,12,26,19,5,28,14/rA:28CCCCNCCCCCCClCOCCCCNCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;d15;s16;s17;d17;s19;s15d20;s13;s9d22;d8;s24;t25;s5s24;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-VJEQPFBKQXOJQL_on_Q14833_WT,High,ChEMBL30,CHEMBL1223084,O=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2)cc1)c1ccccn1,VJEQPFBKQXOJQL,VJEQPFBKQXOJQL-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O3S/c19-15-5-1-2-6-16(15)22-26(24,25)14-10-8-13(9-11-14)21-18(23)17-7-3-4-12-20-17/h1-12,22H,(H,21,23)","""AuxInfo=1/1/N:16,17,23,24,15,18,22,5,20,6,19,25,4,7,13,12,21,2,14,26,3,11,1,9,10,8/E:(8,9)(10,11)(24,25)/CRV:26.6/rA:26OCNCCCCSOONCCFCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s12d17;s7;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-VJFWRFGZHPTJHT_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672240;51003282,O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ncccc1,VJFWRFGZHPTJHT,VJFWRFGZHPTJHT-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3O2/c20-16-6-2-1-5-15(16)18(24)22-13-8-10-14(11-9-13)23-19(25)17-7-3-4-12-21-17/h1-12H,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:13,14,24,23,12,15,25,6,18,5,19,22,7,4,11,16,20,9,2,17,21,8,3,10,1/E:(8,9)(10,11)/rA:25OCNCCCCNCOCCCCCCClCCCNCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441;PubChemAID:577305,PMID:21247167,2011.0,PMID:21247167;PubChemAID:577305,2011,0,1;0,0,0,0;1,,=,  5.790;  5.795,5.792999999999999,0.002,0.002,2.0,5.792999999999999,0.002
-VJLOICDTFGWPKE_on_Q05586_WT,Low,ChEMBL30,CHEMBL2398522,c1ccc(C(CNCCCCCCNCCCCCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,VJLOICDTFGWPKE,VJLOICDTFGWPKE-UHFFFAOYSA-N,"InChI=1S/C52H78N4/c1(3-5-7-25-39-53-41-27-9-11-29-43-55-45-51(47-31-17-13-18-32-47)48-33-19-14-20-34-48)2-4-6-8-26-40-54-42-28-10-12-30-44-56-46-52(49-35-21-15-22-36-49)50-37-23-16-24-38-50/h13-24,31-38,51-56H,1-12,25-30,39-46H2","""AuxInfo=1/0/N:20,21,19,22,18,23,17,24,11,30,10,31,1,52,40,46,2,56,51,53,39,41,45,47,16,25,12,29,9,32,3,55,50,54,38,42,44,48,15,26,13,28,8,33,6,35,4,49,37,43,5,36,14,27,7,34/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18,19,20,21,22,23,24)(25,26)(27,28)(29,30)(31,32,33,34,35,36,37,38)(39,40)(41,42)(43,44)(45,46)(47,48,49,50)(51,52)(53,54)(55,56)/rA:56CCCCCCNCCCCCCNCCCCCCCCCCCCNCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;d37;s38;d39;s40;s37d41;s36;d43;s44;d45;s46;s43d47;s5;d49;s50;d51;s52;s49d53;s4;s1d55;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-VJLOICDTFGWPKE_on_Q12879_WT,Low,ChEMBL30,CHEMBL2398522,c1ccc(C(CNCCCCCCNCCCCCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,VJLOICDTFGWPKE,VJLOICDTFGWPKE-UHFFFAOYSA-N,"InChI=1S/C52H78N4/c1(3-5-7-25-39-53-41-27-9-11-29-43-55-45-51(47-31-17-13-18-32-47)48-33-19-14-20-34-48)2-4-6-8-26-40-54-42-28-10-12-30-44-56-46-52(49-35-21-15-22-36-49)50-37-23-16-24-38-50/h13-24,31-38,51-56H,1-12,25-30,39-46H2","""AuxInfo=1/0/N:20,21,19,22,18,23,17,24,11,30,10,31,1,52,40,46,2,56,51,53,39,41,45,47,16,25,12,29,9,32,3,55,50,54,38,42,44,48,15,26,13,28,8,33,6,35,4,49,37,43,5,36,14,27,7,34/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18,19,20,21,22,23,24)(25,26)(27,28)(29,30)(31,32,33,34,35,36,37,38)(39,40)(41,42)(43,44)(45,46)(47,48,49,50)(51,52)(53,54)(55,56)/rA:56CCCCCCNCCCCCCNCCCCCCCCCCCCNCCCCCCNCCCCCCCCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;d37;s38;d39;s40;s37d41;s36;d43;s44;d45;s46;s43d47;s5;d49;s50;d51;s52;s49d53;s4;s1d55;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-VJMBJKQEFWIYDX_on_P41594_WT,High,ChEMBL30,CHEMBL552091,CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)nc2)CC1,VJMBJKQEFWIYDX,VJMBJKQEFWIYDX-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-16-11-13-22(14-12-16)20(23)18-8-10-19(21-15-18)9-7-17-5-3-2-4-6-17/h2-6,8,10,15-16H,11-14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,9,12,10,3,23,4,22,21,2,14,8,11,6,20,5,7/E:(3,4)(5,6)(11,12)(13,14)/rA:23CCCCNCOCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s5;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756,PMID:19443216,2009.0,PMID:19443216,2009,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-VJMXGRAYTDRKAO_on_P14867_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-VJMXGRAYTDRKAO_on_P18507_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920;  9.190;  8.660;  8.660,8.857000000000001,0.21899999999999997,0.127,4.0,8.79,0.13
-VJMXGRAYTDRKAO_on_P28472_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.660;  8.660;  8.920;  9.190,8.857000000000001,0.21899999999999997,0.127,4.0,8.79,0.13
-VJMXGRAYTDRKAO_on_P31644_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.190,9.19,0.0,0.0,1.0,9.19,0.0
-VJMXGRAYTDRKAO_on_P34903_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-VJMXGRAYTDRKAO_on_P47869_WT,Low,ChEMBL30,CHEMBL296607,Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1,VJMXGRAYTDRKAO,VJMXGRAYTDRKAO-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,27,26,13,17,28,7,6,25,3,22,2,12,23,5,4,11,8,20,24,10,9,19,18,21/E:(3,4)(7,8)/rA:28CCCCCCCCNNCCCCCCCNNCOCCNCCCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;d12;s13;d14;s15;s12d16;s8s11;s18;s4d19;s20;s21;s22;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-VJUKLPVGDUQZDK_on_O15399_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_O60391_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJUKLPVGDUQZDK_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365806,COc1ccc(C=NN=C(N)N)cc1O,VJUKLPVGDUQZDK,VJUKLPVGDUQZDK-UHFFFAOYSA-N,"InChI=1S/C9H12N4O2/c1-15-8-3-2-6(4-7(8)14)5-12-13-9(10)11/h2-5,14H,1H3,(H4,10,11,13)","""AuxInfo=1/1/N:1,5,4,13,7,6,14,3,10,11,12,8,9,15,2/E:(10,11)/rA:15COCCCCCNNCNNCCO/rB:s1;s2;d3;s4;d5;s6;w?7;s8;w?9;s10;s10;s6;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VJVAWKPXJCDEQG_on_P14867_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-VJVAWKPXJCDEQG_on_P18507_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.700;  8.270;  7.970;  7.730;  5.520,7.638,1.107,0.5539999999999999,5.0,7.97,0.3
-VJVAWKPXJCDEQG_on_P28472_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.270;  5.520;  7.730;  7.970;  8.700,7.638,1.107,0.5539999999999999,5.0,7.97,0.3
-VJVAWKPXJCDEQG_on_P31644_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-VJVAWKPXJCDEQG_on_P34903_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-VJVAWKPXJCDEQG_on_P47869_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-VJVAWKPXJCDEQG_on_Q16445_WT,Low,ChEMBL30,CHEMBL10195,CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC,VJVAWKPXJCDEQG,VJVAWKPXJCDEQG-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,18-19H,3,8H2,1-2H3","""AuxInfo=1/0/N:1,22,2,16,17,13,8,20,14,12,19,11,9,18,6,4,7,10,15,5,21,3/rA:22CCOCOCNCCNCCCCOCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9s12;s6d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-VJXWQJKLMZXRCW_on_P14867_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-VJXWQJKLMZXRCW_on_P18507_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890;  8.330;  7.090;  6.850,7.54,0.597,0.345,4.0,7.49,0.52
-VJXWQJKLMZXRCW_on_P28472_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850;  7.090;  8.330;  7.890,7.54,0.597,0.345,4.0,7.49,0.52
-VJXWQJKLMZXRCW_on_P31644_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-VJXWQJKLMZXRCW_on_P34903_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-VJXWQJKLMZXRCW_on_P47869_WT,Low,ChEMBL30,CHEMBL179700,c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1,VJXWQJKLMZXRCW,VJXWQJKLMZXRCW-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-4-18(5-3-1)21-25-26-22-19-16-6-8-17(9-7-16)20(19)23(27-28(21)22)29-14-15-10-12-24-13-11-15/h1-5,10-13,16-17H,6-9,14H2","""AuxInfo=1/0/N:1,2,29,3,28,24,26,23,27,15,19,16,18,13,14,25,22,4,9,10,5,8,11,17,6,7,20,21,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29CCCCCNNCCCCOCCCCNCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-VJZVGAVVQZUCQU_on_P14867_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-VJZVGAVVQZUCQU_on_P18507_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680434;CHEMBL680672;CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.540;  7.600;  6.570,6.903,0.493,0.348,3.0,6.57,0.03
-VJZVGAVVQZUCQU_on_P28472_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680434;CHEMBL680672;CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.540;  7.600;  6.570,6.903,0.493,0.348,3.0,6.57,0.03
-VJZVGAVVQZUCQU_on_P31644_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-VJZVGAVVQZUCQU_on_P34903_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-VJZVGAVVQZUCQU_on_P47869_WT,Low,ChEMBL30,CHEMBL100469,CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1,VJZVGAVVQZUCQU,VJZVGAVVQZUCQU-UHFFFAOYSA-N,"InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,10,2,19,18,20,21,22,17,11,8,9,13,12,14,6,4,5,15,7,16,3/CRV:19.5/rA:22CCSCCCOCCCCCCCN+O-CCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s5s11;d12;s13;d14;s15;s15;d17;s18;s14d19;s13;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-VKAGDXOJLLAKOX_on_Q14416_WT,High,ChEMBL30,CHEMBL1669402,CCCn1ccc2c(ccc(-c3cccnc3)c2)c1=O,VKAGDXOJLLAKOX,VKAGDXOJLLAKOX-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-2-9-19-10-7-14-11-13(5-6-16(14)17(19)20)15-4-3-8-18-12-15/h3-8,10-12H,2,9H2,1H3","""AuxInfo=1/0/N:1,2,14,13,10,9,6,15,3,5,18,17,11,7,12,8,19,16,4,20/rA:20CCCNCCCCCCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s4s8;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-VKCFTTCFIPFHON_on_Q13224_WT,High,ChEMBL30,CHEMBL217955,O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1,VKCFTTCFIPFHON,VKCFTTCFIPFHON-UHFFFAOYSA-N,"InChI=1S/C19H24N4O/c24-18(8-7-16-5-2-1-3-6-16)23-13-9-17(10-14-23)15-22-19-20-11-4-12-21-19/h1-6,11-12,17H,7-10,13-15H2,(H,20,21,22)","""AuxInfo=1/1/N:8,7,9,20,6,10,4,3,13,23,19,21,12,24,15,5,14,2,17,18,22,16,11,1/E:(2,3)(5,6)(9,10)(11,12)(13,14)(20,21)/rA:24OCCCCCCCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-VKCTUZKPBYSTDW_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,49858117;CHEMBL1630806;CHEMBL1630806,Cc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1,VKCTUZKPBYSTDW,VKCTUZKPBYSTDW-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,19,18,20,17,3,23,4,22,10,2,5,15,11,16,12,7,9,6,13,8,14,21/E:(6,7)(8,9)/rA:23CCCCCNCOCCCCNOCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s9s10;s11;w?12;s13;s12;d15;s16;d17;s18;s15d19;s9s16;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:549361;CHEMBL1632947;CHEMBL1632948,PMID:21105727,2010.0,PubChemAID:549361;PMID:21105727;PMID:21105727,2011;2010;2010,0;0;1,0,0,0;1;0,1;0;0,,=,  6.222;  6.220;  5.820,6.087000000000001,0.18899999999999997,0.134,3.0,6.22,0.002
-VKCTUZKPBYSTDW_on_Q14832_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1630806;49858117,Cc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1,VKCTUZKPBYSTDW,VKCTUZKPBYSTDW-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,19,18,20,17,3,23,4,22,10,2,5,15,11,16,12,7,9,6,13,8,14,21/E:(6,7)(8,9)/rA:23CCCCCNCOCCCCNOCCCCCCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s9s10;s11;w?12;s13;s12;d15;s16;d17;s18;s15d19;s9s16;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1632951;PubChemAID:549365,PMID:21105727,2010.0,PMID:21105727;PubChemAID:549365,2010;2011,0,1;0,0,0,0;1,,=,  5.050;  5.051,5.05,0.001,0.001,2.0,5.05,0.001
-VKKAUXZGTHZQHP_on_P41594_WT,High,ChEMBL30,CHEMBL4081862,Cc1ccc(-c2nc3c(CCN(C(=O)c4ccccc4)C3)o2)nc1,VKKAUXZGTHZQHP,VKKAUXZGTHZQHP-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2/c1-13-7-8-15(20-11-13)18-21-16-12-22(10-9-17(16)24-18)19(23)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,3,4,10,11,24,21,2,15,5,8,9,6,13,23,7,12,14,22/E:(3,4)(5,6)/rA:24CCCCCCNCCCCNCOCCCCCCCONC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s8s12;s6s9;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-VKMFDKYCIKEDMR_on_O15399_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VKMFDKYCIKEDMR_on_O60391_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VKMFDKYCIKEDMR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VKMFDKYCIKEDMR_on_Q05586_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400;  8.300,8.35,0.05,0.05,2.0,8.35,0.05
-VKMFDKYCIKEDMR_on_Q12879_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VKMFDKYCIKEDMR_on_Q13224_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL832427;CHEMBL828708,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400;  8.300,8.35,0.05,0.05,2.0,8.35,0.05
-VKMFDKYCIKEDMR_on_Q14957_WT,Low,ChEMBL30,CHEMBL317229,Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1,VKMFDKYCIKEDMR,VKMFDKYCIKEDMR-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3","""AuxInfo=1/0/N:1,3,25,4,24,17,20,16,21,9,23,10,22,12,13,6,2,5,18,15,7,11,19,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25CCCCCCCOCCNCCOCCCCOCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s11;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427,PMID:15225705,2004.0,PMID:15225705,2004,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VKMJGKFQKLVODR_on_O00591_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_O14764_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P14867_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P18505_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P18507_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P28472_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P31644_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P34903_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P47869_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P47870_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P48169_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_P78334_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_Q16445_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKMJGKFQKLVODR_on_Q99928_WT,Low,ChEMBL30,CHEMBL51569,Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12,VKMJGKFQKLVODR,VKMJGKFQKLVODR-UHFFFAOYSA-N,"InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3","""AuxInfo=1/0/N:1,24,14,30,23,13,29,15,25,31,22,12,28,7,9,2,8,16,19,26,20,11,6,27,18,5,21,10,17,3,4,32/rA:32CCNNCCCCCNCCCCCCNCCCFCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s8s11d15;s6;w?17;s18;d19;s20;s20;d22;s23;s19d24;s18;d26;s27;d28;s29;s26d30;s2s5s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654250,PMID:2885419,1987.0,PMID:2885419,1987,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-VKSZVIKJHUIIQE_on_Q14416_WT,High,ChEMBL30,CHEMBL4089416,Fc1c(NC2CC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1,VKSZVIKJHUIIQE,VKSZVIKJHUIIQE-UHFFFAOYSA-N,"InChI=1S/C19H18ClFN4/c20-18-14(12-3-6-16(15(21)10-12)22-13-4-5-13)7-8-25-17(9-11-1-2-11)23-24-19(18)25/h3,6-8,10-11,13,22H,1-2,4-5,9H2","""AuxInfo=1/0/N:20,21,9,6,7,8,24,23,18,25,19,10,5,11,2,3,17,12,14,13,1,4,16,15,22/E:(1,2)(4,5)/rA:25FCCNCCCCCCCCClCNNCCCCCNCCC/rB:s1;d2;s3;s4;s5;s5s6;s3;d8;s9;s10;d11;s12;s12;d14;s15;d16;s17;s18;s19;s19s20;s14s17;s22;s11d23;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,0;1;0,1;0;0,0,,=,  7.990;  7.900;  7.200,7.697,0.353,0.25,3.0,7.9,0.09
-VKTZYQSTVSGVEC_on_Q05586_WT,Low,ChEMBL30,CHEMBL595571,CS(=O)(=O)Nc1ccc(OCC(=O)NCCSc2cc(Cl)c(Cl)cc2)cc1,VKTZYQSTVSGVEC,VKTZYQSTVSGVEC-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O4S2/c1-27(23,24)21-12-2-4-13(5-3-12)25-11-17(22)20-8-9-26-14-6-7-15(18)16(19)10-14/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,7,27,8,26,25,24,15,16,19,11,6,9,18,22,20,12,23,21,14,5,13,3,4,10,17,2/E:(2,3)(4,5)(23,24)/CRV:27.6/rA:27CSOONCCCCOCCONCCSCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-VKTZYQSTVSGVEC_on_Q13224_WT,Low,ChEMBL30,CHEMBL595571,CS(=O)(=O)Nc1ccc(OCC(=O)NCCSc2cc(Cl)c(Cl)cc2)cc1,VKTZYQSTVSGVEC,VKTZYQSTVSGVEC-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N2O4S2/c1-27(23,24)21-12-2-4-13(5-3-12)25-11-17(22)20-8-9-26-14-6-7-15(18)16(19)10-14/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,7,27,8,26,25,24,15,16,19,11,6,9,18,22,20,12,23,21,14,5,13,3,4,10,17,2/E:(2,3)(4,5)(23,24)/CRV:27.6/rA:27CSOONCCCCOCCONCCSCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-VKUVUAOMIMXLNY_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53387886;CHEMBL1830897,c1n[nH]c2c1-c1c(CCC2)sc(NC2CCCCC2)n1,VKUVUAOMIMXLNY,VKUVUAOMIMXLNY-UHFFFAOYSA-N,"InChI=1S/C15H20N4S/c1-2-5-10(6-3-1)17-15-18-14-11-9-16-19-12(11)7-4-8-13(14)20-15/h9-10H,1-8H2,(H,16,19)(H,17,18)","""AuxInfo=1/1/N:17,16,18,9,15,19,10,8,1,14,5,4,7,6,12,2,13,20,3,11/E:(2,3)(5,6)/rA:20CNNCCCCCCCSCNCCCCCCN/rB:d1;s2;s3;s1d4;s5;d6;s7;s8;s4s9;s7;s11;s12;s13;s14;s15;s16;s17;s14s18;s6d12;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.886;  5.890,5.888,0.002,0.002,2.0,5.888,0.002
-VKVSPUYFUNMMQD_on_Q13255_WT,High,ChEMBL30,CHEMBL3798489,Cc1nsc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1,VKVSPUYFUNMMQD,VKVSPUYFUNMMQD-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2S/c1-10-18-17(23-20-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,18,19,20,21)","""AuxInfo=1/1/N:1,12,20,13,21,11,19,14,22,2,10,18,15,17,9,7,5,23,6,3,8,16,4/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:23CCNSCNCOCCCCCCCOCCCCCCN/rB:s1;d2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s15;s16;s9d17;s18;d19;s20;s17d21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3803186,PMID:27013388,2016.0,PMID:27013388,2016,0,1,0,0,0,,=,  5.570;  5.570,5.57,0.0,0.0,2.0,5.57,0.0
-VKWYSXDERHIYKE_on_P14867_WT,Medium,ChEMBL30,CHEMBL146086,Oc1nc2c(CN(Cc3cnccc3)CC2)c2nc(-c3c(F)cccc3)cn12,VKWYSXDERHIYKE,VKWYSXDERHIYKE-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,13,14,26,23,16,12,15,10,8,6,27,9,20,5,21,4,19,17,2,22,11,18,3,7,28,1/rA:28OCNCCCNCCCNCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-VKWYSXDERHIYKE_on_P34903_WT,Medium,ChEMBL30,CHEMBL146086,Oc1nc2c(CN(Cc3cnccc3)CC2)c2nc(-c3c(F)cccc3)cn12,VKWYSXDERHIYKE,VKWYSXDERHIYKE-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,13,14,26,23,16,12,15,10,8,6,27,9,20,5,21,4,19,17,2,22,11,18,3,7,28,1/rA:28OCNCCCNCCCNCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-VKWYSXDERHIYKE_on_P47869_WT,Medium,ChEMBL30,CHEMBL146086,Oc1nc2c(CN(Cc3cnccc3)CC2)c2nc(-c3c(F)cccc3)cn12,VKWYSXDERHIYKE,VKWYSXDERHIYKE-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28)","""AuxInfo=1/1/N:25,24,13,14,26,23,16,12,15,10,8,6,27,9,20,5,21,4,19,17,2,22,11,18,3,7,28,1/rA:28OCNCCCNCCCNCCCCCCNCCCFCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s5;d17;s18;s19;d20;s21;s21;d23;s24;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-VKXPNHVCRUUHMO_on_P18507_WT,Low,ChEMBL30,CHEMBL578394,C#Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,VKXPNHVCRUUHMO,VKXPNHVCRUUHMO-UHFFFAOYSA-N,"InChI=1S/C14H8BrN5/c1-2-11-13-6-19-8-17-18-14(19)10-5-9(15)3-4-12(10)20(13)7-16-11/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,14,13,17,5,19,7,15,11,3,12,4,10,16,20,8,9,6,18/rA:20CCCCCNCNNCCCCCCBrCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-VKXPNHVCRUUHMO_on_P28472_WT,Low,ChEMBL30,CHEMBL578394,C#Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,VKXPNHVCRUUHMO,VKXPNHVCRUUHMO-UHFFFAOYSA-N,"InChI=1S/C14H8BrN5/c1-2-11-13-6-19-8-17-18-14(19)10-5-9(15)3-4-12(10)20(13)7-16-11/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,14,13,17,5,19,7,15,11,3,12,4,10,16,20,8,9,6,18/rA:20CCCCCNCNNCCCCCCBrCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-VKXPNHVCRUUHMO_on_P31644_WT,Low,ChEMBL30,CHEMBL578394,C#Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,VKXPNHVCRUUHMO,VKXPNHVCRUUHMO-UHFFFAOYSA-N,"InChI=1S/C14H8BrN5/c1-2-11-13-6-19-8-17-18-14(19)10-5-9(15)3-4-12(10)20(13)7-16-11/h1,3-5,7-8H,6H2","""AuxInfo=1/0/N:1,2,14,13,17,5,19,7,15,11,3,12,4,10,16,20,8,9,6,18/rA:20CCCCCNCNNCCCCCCBrCNCN/rB:t1;s2;d3;s4;s5;s6;d7;s8;s6d9;s10;d11;s12;d13;s14;s15;s11d15;s4s12;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-VLHBXYLYULVLGT_on_P41594_WT,High,ChEMBL30,CHEMBL1779844,CC(C)NC(=O)c1cnc(C#Cc2ccccc2)cc1,VLHBXYLYULVLGT,VLHBXYLYULVLGT-UHFFFAOYSA-N,"InChI=1S/C17H16N2O/c1-13(2)19-17(20)15-9-11-16(18-12-15)10-8-14-6-4-3-5-7-14/h3-7,9,11-13H,1-2H3,(H,19,20)","""AuxInfo=1/1/N:1,3,16,15,17,14,18,12,20,11,19,8,2,13,7,10,5,9,4,6/E:(1,2)(4,5)(6,7)/rA:20CCCNCOCCNCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,1;0,0,0;1,0,,=,  7.210;  5.150,6.18,1.03,1.03,2.0,6.18,1.03
-VLHQYMIJAJOKGH_on_P41594_WT,High,ChEMBL30,CHEMBL378219,Cc1nc(C#CCOc2cccc(Cl)c2)ccc1,VLHQYMIJAJOKGH,VLHQYMIJAJOKGH-UHFFFAOYSA-N,"InChI=1S/C15H12ClNO/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3","""AuxInfo=1/0/N:1,17,11,6,18,12,16,5,10,7,15,2,13,4,9,14,3,8/rA:18CCNCCCCOCCCCCClCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-VLIKCDNWZRYWFS_on_Q05586_WT,Low,ChEMBL30,CHEMBL114667,Cn1c(O)nc2c1cc(C#CCN1CCC(Cc3ccccc3)CC1)cc2,VLIKCDNWZRYWFS,VLIKCDNWZRYWFS-UHFFFAOYSA-N,"InChI=1S/C23H25N3O/c1-25-22-17-19(9-10-21(22)24-23(25)27)8-5-13-26-14-11-20(12-15-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,17,20H,11-16H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,21,20,22,11,19,23,10,26,27,15,24,12,14,25,17,8,18,9,16,6,7,3,5,2,13,4/E:(3,4)(6,7)(11,12)(14,15)/rA:27CNCONCCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d3;s5;s2d6;s7;d8;s9;t10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747075,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VLJFCGQHIAWPFS_on_P31644_WT,High,ChEMBL30,CHEMBL3681582,Cc1c(COC(O)C(C)(C)c2ccc(C(N)=O)cn2)c(-c2ccc(Cl)cn2)no1,VLJFCGQHIAWPFS,VLJFCGQHIAWPFS-UHFFFAOYSA-N,"InChI=1S/C20H21ClN4O4/c1-11-14(17(25-29-11)15-6-5-13(21)9-23-15)10-28-19(27)20(2,3)16-7-4-12(8-24-16)18(22)26/h4-9,19,27H,10H2,1-3H3,(H2,22,26)","""AuxInfo=1/1/N:1,9,10,13,23,22,12,18,26,4,2,14,24,3,21,11,20,15,6,8,25,16,27,19,28,17,7,5,29/E:(2,3)/rA:29CCCCOCOCCCCCCCCNOCNCCCCCClCNNO/rB:s1;d2;s3;s4;s5;s6;s6;s8;s8;s8;d11;s12;d13;s14;s15;d15;s14;s11d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-VLJOFHKOHGIVRZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684236,O=C1NC(=O)c2c1ccc(C#Cc1ccc(F)cc1)c2,VLJOFHKOHGIVRZ,VLJOFHKOHGIVRZ-UHFFFAOYSA-N,"InChI=1S/C16H8FNO2/c17-12-6-3-10(4-7-12)1-2-11-5-8-13-14(9-11)16(20)18-15(13)19/h3-9H,(H,18,19,20)","""AuxInfo=1/1/N:12,11,14,19,9,15,18,8,20,13,10,16,7,6,2,4,17,3,1,5/E:(3,4)(6,7)/rA:20OCNCOCCCCCCCCCCCFCCC/rB:d1;s2;s3;d4;s4;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-VLNCDPLZLCWLTA_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205375;57881773,COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)c(F)c1,VLNCDPLZLCWLTA,VLNCDPLZLCWLTA-UHFFFAOYSA-N,"InChI=1S/C18H14FN5O2S/c1-26-10-4-5-12(11(19)6-10)24-8-22-14-13-16(23-9-2-3-9)20-7-21-17(13)27-15(14)18(24)25/h4-9H,2-3H2,1H3,(H,20,21,23)","""AuxInfo=1/1/N:1,18,19,4,5,27,21,8,17,3,25,6,14,10,11,15,13,23,26,20,22,9,16,7,24,2,12/E:(2,3)/rA:27COCCCCNCNCCSCCCNCCCNCNCOCFC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s25;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  7.520;  7.523,7.521,0.002,0.002,2.0,7.521,0.002
-VLQXGUZUMLSXOK_on_Q14833_WT,High,ChEMBL30,CHEMBL2023626,O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCOCC1,VLQXGUZUMLSXOK,VLQXGUZUMLSXOK-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c28-23(26-10-12-29-13-11-26)30-19-6-7-21-20(8-9-24-22(21)14-19)17-15-25-27(16-17)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2","""AuxInfo=1/0/N:15,14,16,13,17,5,6,20,21,26,30,27,29,24,19,10,9,12,4,8,7,23,2,22,18,25,11,1,28,3/E:(2,3)(4,5)(10,11)(12,13)/rA:30OCOCCCCCCCNCCCCCCNCCCNCCNCCOCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;d8;s20;d21;s7s22;s4d23;s2;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-VLRCXMWQAGVTGT_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023464,c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCCC3)c4)cn2)cc1,VLRCXMWQAGVTGT,VLRCXMWQAGVTGT-UHFFFAOYSA-N,"InChI=1S/C25H26N4O/c1-2-7-21(8-3-1)29-19-20(18-27-29)23-11-12-26-25-17-22(9-10-24(23)25)30-16-6-15-28-13-4-5-14-28/h1-3,7-12,17-19H,4-6,13-16H2","""AuxInfo=1/0/N:1,2,30,23,24,19,3,29,15,14,9,10,22,25,20,18,26,27,6,7,4,16,8,13,12,11,28,21,5,17/E:(2,3)(4,5)(7,8)(13,14)/rA:30CCCCNCCCCCNCCCCCOCCCNCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s21s24;s12d16;s7;s5d27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VLSMHEGGTFMBBZ_on_O15303_WT,Low,ChEMBL30,CHEMBL275040,C=C(C)C1CNC(C(=O)O)C1CC(=O)O,VLSMHEGGTFMBBZ,VLSMHEGGTFMBBZ-UHFFFAOYSA-N,"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,3,12,5,2,11,4,13,7,8,6,14,15,9,10/E:(12,13)(14,15)/rA:15CCCCCNCCOOCCCOO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s4s7;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052814,PMID:19819046,2010.0,PMID:19819046,2010,0,1,0,0,0,,=,  3.524,3.5239999999999996,0.0,0.0,1.0,3.5239999999999996,0.0
-VLSMHEGGTFMBBZ_on_P41594_WT,Medium,ChEMBL30,CHEMBL275040,C=C(C)C1CNC(C(=O)O)C1CC(=O)O,VLSMHEGGTFMBBZ,VLSMHEGGTFMBBZ-UHFFFAOYSA-N,"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,3,12,5,2,11,4,13,7,8,6,14,15,9,10/E:(12,13)(14,15)/rA:15CCCCCNCCOOCCCOO/rB:d1;s2;s2;s4;s5;s6;s7;d8;s8;s4s7;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1052813,PMID:19819046,2010.0,PMID:19819046,2010,0,1,0,0,0,,=,  4.470,4.47,0.0,0.0,1.0,4.47,0.0
-VLUOXSFFTXJISQ_on_Q13255_WT,High,ChEMBL30,CHEMBL2205912,COc1ccc(-n2cnc3c(sc4c3c(NCCO)ncn4)c2=O)cc1,VLUOXSFFTXJISQ,VLUOXSFFTXJISQ-UHFFFAOYSA-N,"InChI=1S/C17H15N5O3S/c1-25-11-4-2-10(3-5-11)22-9-21-13-12-15(18-6-7-23)19-8-20-16(12)26-14(13)17(22)24/h2-5,8-9,23H,6-7H2,1H3,(H,18,19,20)","""AuxInfo=1/1/N:1,5,25,4,26,17,18,21,8,6,3,14,10,11,15,13,23,16,20,22,9,7,19,24,2,12/E:(2,3)(4,5)/rA:26COCCCCNCNCCSCCCNCCONCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-VLYGRDKCVGSADG_on_O00222_WT,High,ExCAPE-DB,73058497,CCOc1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1,VLYGRDKCVGSADG,VLYGRDKCVGSADG-UHFFFAOYSA-N,"InChI=1S/C24H27NO2S/c1-5-27-22-11-9-21(10-12-22)25-18(3)14-23(19(25)4)24(26)16-28-15-20-8-6-7-17(2)13-20/h6-14H,5,15-16H2,1-4H3","""AuxInfo=1/0/N:1,23,10,26,2,20,21,19,6,27,5,28,24,11,17,15,22,9,25,18,7,4,12,13,8,14,3,16/E:(9,10)(11,12)/rA:28CCOCCCCNCCCCCOCSCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s22;s18d22;s8d12;s25;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-VLYGRDKCVGSADG_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560937,CCOc1ccc(-n2c(C)cc(C(=O)CSCc3cc(C)ccc3)c2C)cc1,VLYGRDKCVGSADG,VLYGRDKCVGSADG-UHFFFAOYSA-N,"InChI=1S/C24H27NO2S/c1-5-27-22-11-9-21(10-12-22)25-18(3)14-23(19(25)4)24(26)16-28-15-20-8-6-7-17(2)13-20/h6-14H,5,15-16H2,1-4H3","""AuxInfo=1/0/N:1,21,10,26,2,23,22,24,6,27,5,28,19,11,17,15,20,9,25,18,7,4,12,13,8,14,3,16/E:(9,10)(11,12)/rA:28CCOCCCCNCCCCCOCSCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;d20;s22;s18d23;s8d12;s25;s7;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VLZBRVJVCCNPRJ_on_O00222_WT,Medium,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883;CHEMBL712473,PMID:9873635,1998.0,PMID:9873635;PMID:10893301,1998;2000,1;0,0,0,0;1,0,,=,  6.770;  6.770,6.77,0.0,0.0,2.0,6.77,0.0
-VLZBRVJVCCNPRJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881;CHEMBL711712,PMID:9873635,1998.0,PMID:9873635;PMID:10893301,1998;2000,1;0,0,0,0;1,0,,=,  5.090;  5.090,5.09,0.0,0.0,2.0,5.09,0.0
-VLZBRVJVCCNPRJ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575;CHEMBL719076,PMID:9873635,1998.0,PMID:9873635;PMID:10893301,1998;2000,1;0,0,0,0;1,0,,=,  5.110;  5.170,5.14,0.03,0.03,2.0,5.14,0.03
-VLZBRVJVCCNPRJ_on_Q14416_WT,High,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4719950;CHEMBL4719947;CHEMBL4719941;CHEMBL717203;CHEMBL2182983,PMID:9464367,1998.0,PMID:28002967;PMID:28002967;PMID:28002967;PMID:9464367;PMID:22318160,2016;2016;2016;1998;2012,1;0;1;1;1,0,0,0;1;0;0;0,0,,=,  8.110;  8.370;  7.570;  7.640;  7.680,7.874,0.312,0.156,5.0,7.68,0.11
-VLZBRVJVCCNPRJ_on_Q14831_WT,Medium,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461;CHEMBL712882,PMID:9873635,1998.0,PMID:10893301;PMID:9873635,2000;1998,0;1,0,0,1;0,0,,=,  6.000;  6.000,6.0,0.0,0.0,2.0,6.0,0.0
-VLZBRVJVCCNPRJ_on_Q14832_WT,High,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350;CHEMBL4719951;CHEMBL4719948;CHEMBL4719942;CHEMBL2182981,PMID:9464367,1998.0,PMID:9464367;PMID:28002967;PMID:28002967;PMID:28002967;PMID:22318160,1998;2016;2016;2016;2012,1;1;0;1;1,0,0,0;0;1;0;0,0,,=,  8.000;  8.550;  8.890;  8.110;  7.850,8.28,0.384,0.192,5.0,8.11,0.26
-VLZBRVJVCCNPRJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL432038,NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O,VLZBRVJVCCNPRJ,VLZBRVJVCCNPRJ-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)","""AuxInfo=1/1/N:7,15,8,16,6,14,9,17,22,3,5,13,23,4,21,10,12,24,18,2,1,25,26,19,20,11/E:(1,2)(3,4)(5,6)(7,8)(11,12)(16,17)(22,23)(24,25)/rA:26NCCCCCCCCCOCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s4d12;s13;d14;s15;s12d16;s2;d18;s18;s2;s21;s21s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502;CHEMBL872788,PMID:9873635,1998.0,PMID:10893301;PMID:9873635,2000;1998,0;1,0,0,1;0,0,,=,  4.660;  4.660,4.66,0.0,0.0,2.0,4.66,0.0
-VMDCREKMEARYAH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113592,COc1cc(-c2nc(-c3ccnc(CO)c3)c3CCOC(C)Cn23)ccc1Cl,VMDCREKMEARYAH,VMDCREKMEARYAH-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O3/c1-13-11-25-18(6-8-28-13)20(14-5-7-23-16(9-14)12-26)24-21(25)15-3-4-17(22)19(10-15)27-2/h3-5,7,9-10,13,26H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:22,1,25,26,10,18,11,19,16,4,23,14,21,9,5,13,27,17,3,8,6,28,12,7,24,15,2,20/rA:28COCCCCNCCCCNCCOCCCCOCCCNCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s14;s9d13;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-VMDKDKVHHDTDAL_on_P14867_WT,Low,ChEMBL30,CHEMBL204701,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2nc1,VMDKDKVHHDTDAL,VMDKDKVHHDTDAL-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,19,12,21,9,29,11,20,17,14,13,23,10,5,7,2,18,24,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-VMDKDKVHHDTDAL_on_P18507_WT,Low,ChEMBL30,CHEMBL204701,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2nc1,VMDKDKVHHDTDAL,VMDKDKVHHDTDAL-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,19,12,21,9,29,11,20,17,14,13,23,10,5,7,2,18,24,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853070;CHEMBL853068,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.680;  8.920,8.8,0.12,0.12,2.0,8.8,0.12
-VMDKDKVHHDTDAL_on_P28472_WT,Low,ChEMBL30,CHEMBL204701,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2nc1,VMDKDKVHHDTDAL,VMDKDKVHHDTDAL-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,19,12,21,9,29,11,20,17,14,13,23,10,5,7,2,18,24,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853068;CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.920;  8.680,8.8,0.12,0.12,2.0,8.8,0.12
-VMDKDKVHHDTDAL_on_P47869_WT,Low,ChEMBL30,CHEMBL204701,CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2nc1,VMDKDKVHHDTDAL,VMDKDKVHHDTDAL-UHFFFAOYSA-N,"InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3","""AuxInfo=1/0/N:1,3,26,16,15,25,19,12,21,9,29,11,20,17,14,13,23,10,5,7,2,18,24,22,8,28,6,27,4/E:(1,2)/rA:29CCCOCNCNCCCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;s20;t21;d13;s23;s23;s11d25;s7s10;s27;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-VMDMUBRVPZAFNE_on_O00222_WT,High,ChEMBL30,CHEMBL4101796,Nc1ncc(C(O)P(=O)(O)CCC(N)C(=O)O)s1,VMDMUBRVPZAFNE,VMDMUBRVPZAFNE-UHFFFAOYSA-N,"InChI=1S/C8H14N3O5PS/c9-4(6(12)13)1-2-17(15,16)7(14)5-3-11-8(10)18-5/h3-4,7,14H,1-2,9H2,(H2,10,11)(H,12,13)(H,15,16)","""AuxInfo=1/1/N:12,11,4,13,5,15,6,2,14,1,3,16,17,7,9,10,8,18/E:(12,13)(15,16)/rA:18NCNCCCOPOOCCCNCOOS/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s2s5;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-VMDMUBRVPZAFNE_on_O15303_WT,Low,ChEMBL30,CHEMBL4101796,Nc1ncc(C(O)P(=O)(O)CCC(N)C(=O)O)s1,VMDMUBRVPZAFNE,VMDMUBRVPZAFNE-UHFFFAOYSA-N,"InChI=1S/C8H14N3O5PS/c9-4(6(12)13)1-2-17(15,16)7(14)5-3-11-8(10)18-5/h3-4,7,14H,1-2,9H2,(H2,10,11)(H,12,13)(H,15,16)","""AuxInfo=1/1/N:12,11,4,13,5,15,6,2,14,1,3,16,17,7,9,10,8,18/E:(12,13)(15,16)/rA:18NCNCCCOPOOCCCNCOOS/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s2s5;/rC:;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VMDMUBRVPZAFNE_on_Q14833_WT,High,ChEMBL30,CHEMBL4101796,Nc1ncc(C(O)P(=O)(O)CCC(N)C(=O)O)s1,VMDMUBRVPZAFNE,VMDMUBRVPZAFNE-UHFFFAOYSA-N,"InChI=1S/C8H14N3O5PS/c9-4(6(12)13)1-2-17(15,16)7(14)5-3-11-8(10)18-5/h3-4,7,14H,1-2,9H2,(H2,10,11)(H,12,13)(H,15,16)","""AuxInfo=1/1/N:12,11,4,13,5,15,6,2,14,1,3,16,17,7,9,10,8,18/E:(12,13)(15,16)/rA:18NCNCCCOPOOCCCNCOOS/rB:s1;d2;s3;d4;s5;s6;s6;d8;s8;s8;s11;s12;s13;s13;d15;s15;s2s5;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-VMDNPCGEYKIKIT_on_Q05586_WT,Low,ChEMBL30,CHEMBL63992,CCCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,VMDNPCGEYKIKIT,VMDNPCGEYKIKIT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-2-14-30(27,28)26-18-10-13-21-22(16-18)25-23(24-21)15-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,2,25,24,26,23,27,18,29,13,19,28,12,3,16,9,17,8,22,20,11,10,15,14,30,7,5,6,21,4/E:(4,5)(6,7)(8,9)(11,12)(27,28)/CRV:30.6/rA:30CCCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17d28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.720;  7.680,7.7,0.02,0.02,2.0,7.7,0.02
-VMDNPCGEYKIKIT_on_Q13224_WT,Low,ChEMBL30,CHEMBL63992,CCCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,VMDNPCGEYKIKIT,VMDNPCGEYKIKIT-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c1-2-14-30(27,28)26-18-10-13-21-22(16-18)25-23(24-21)15-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15H2,1H3,(H,24,25)","""AuxInfo=1/1/N:1,2,25,24,26,23,27,18,29,13,19,28,12,3,16,9,17,8,22,20,11,10,15,14,30,7,5,6,21,4/E:(4,5)(6,7)(8,9)(11,12)(27,28)/CRV:30.6/rA:30CCCSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s8d12;s11;s14;s15;s16;d17;s18;d19;s20;s21;d22;s23;d24;s25;s22d26;s20;s17d28;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  7.720;  7.680,7.7,0.02,0.02,2.0,7.7,0.02
-VMDUABMKBUKKPG_on_P14867_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273610,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-VMDUABMKBUKKPG_on_P18507_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273611;CHEMBL1273612;CHEMBL1273613;CHEMBL1273610,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860;  6.860;  6.860;  6.860,6.86,0.0,0.0,4.0,6.86,0.0
-VMDUABMKBUKKPG_on_P28472_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273610;CHEMBL1273611;CHEMBL1273613;CHEMBL1273612,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860;  6.860;  6.860;  6.860,6.86,0.0,0.0,4.0,6.86,0.0
-VMDUABMKBUKKPG_on_P34903_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273612,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-VMDUABMKBUKKPG_on_P47869_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273611,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-VMDUABMKBUKKPG_on_P48169_WT,Low,ChEMBL30,CHEMBL1271047,CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C,VMDUABMKBUKKPG,VMDUABMKBUKKPG-UHFFFAOYSA-N,"InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3","""AuxInfo=1/0/N:1,16,17,23,2,19,20,18,8,15,22,11,9,13,21,12,6,4,7,10,5,3,14/E:(2,3)/rA:23CCOCOCNCCNCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s14;s15;s15;d13;s18;s11d19;s9s12;s6d21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273613,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-VMKJBNMCQMEXND_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71717735;CHEMBL2346733,Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1,VMKJBNMCQMEXND,VMKJBNMCQMEXND-UHFFFAOYSA-N,"InChI=1S/C18H14FN5O/c1-11-17(18(25)23-16-5-3-4-14(10-20)22-16)21-12(2)24(11)15-8-6-13(19)7-9-15/h3-9H,1-2H3,(H,22,23,25)","""AuxInfo=1/1/N:17,1,10,11,9,21,24,20,25,13,16,2,22,12,19,8,4,5,23,14,3,15,7,18,6/E:(6,7)(8,9)/rA:25CCNCCONCCCCCCNNCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;d10;s11;s12;t13;s8d12;d4;s16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.114;  7.110,7.112,0.002,0.002,2.0,7.112,0.002
-VMKVEFRKXCKLPA_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1721009;46869950,CC1(C)CC(=O)N(c2c(Cl)cc(NC(=O)c3ncccc3)cc2)C1=O,VMKVEFRKXCKLPA,VMKVEFRKXCKLPA-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O3/c1-18(2)10-15(23)22(17(18)25)14-7-6-11(9-12(14)19)21-16(24)13-5-3-4-8-20-13/h3-9H,10H2,1-2H3,(H,21,24)","""AuxInfo=1/1/N:1,3,20,19,21,22,23,18,11,4,12,9,16,8,5,14,24,2,10,17,13,7,6,15,25/E:(1,2)/rA:25CCCCCONCCClCCNCOCNCCCCCCCO/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s9;d11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s12;s8d22;s2s7;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408,2011;2012,0,1;0,0,0,0;1,,=,  5.850;  5.854,5.852,0.002,0.002,2.0,5.852,0.002
-VMKZXEMKFBINKN_on_P14867_WT,Low,ChEMBL30,CHEMBL488285,CCCCC(=O)c1c(O)c2c(ccc(CCCc3ccccc3)c2)nc1,VMKZXEMKFBINKN,VMKZXEMKFBINKN-UHFFFAOYSA-N,"InChI=1S/C23H25NO2/c1-2-3-12-22(25)20-16-24-21-14-13-18(15-19(21)23(20)26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,13-16H,2-3,7,10-12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,2,3,21,20,22,16,19,23,17,15,4,13,12,24,26,18,14,10,7,11,5,8,25,6,9/E:(5,6)(8,9)/rA:26CCCCCOCCOCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s10d14;s11;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-VMKZXEMKFBINKN_on_P18507_WT,Low,ChEMBL30,CHEMBL488285,CCCCC(=O)c1c(O)c2c(ccc(CCCc3ccccc3)c2)nc1,VMKZXEMKFBINKN,VMKZXEMKFBINKN-UHFFFAOYSA-N,"InChI=1S/C23H25NO2/c1-2-3-12-22(25)20-16-24-21-14-13-18(15-19(21)23(20)26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,13-16H,2-3,7,10-12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,2,3,21,20,22,16,19,23,17,15,4,13,12,24,26,18,14,10,7,11,5,8,25,6,9/E:(5,6)(8,9)/rA:26CCCCCOCCOCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s10d14;s11;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-VMKZXEMKFBINKN_on_P47870_WT,Low,ChEMBL30,CHEMBL488285,CCCCC(=O)c1c(O)c2c(ccc(CCCc3ccccc3)c2)nc1,VMKZXEMKFBINKN,VMKZXEMKFBINKN-UHFFFAOYSA-N,"InChI=1S/C23H25NO2/c1-2-3-12-22(25)20-16-24-21-14-13-18(15-19(21)23(20)26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,13-16H,2-3,7,10-12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,2,3,21,20,22,16,19,23,17,15,4,13,12,24,26,18,14,10,7,11,5,8,25,6,9/E:(5,6)(8,9)/rA:26CCCCCOCCOCCCCCCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;d12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s10d14;s11;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-VMNLLBZFRDPPOU_on_Q14416_WT,High,ChEMBL30,CHEMBL3805017,Cc1cc(CN2CC3CCC2CN3c2nc3c(cc2)n(CC(C)(C)C)c(=O)n3C)no1,VMNLLBZFRDPPOU,VMNLLBZFRDPPOU-UHFFFAOYSA-N,"InChI=1S/C23H32N6O2/c1-15-10-16(25-31-15)11-27-12-18-7-6-17(27)13-28(18)20-9-8-19-21(24-20)26(5)22(30)29(19)14-23(2,3)4/h8-10,17-18H,6-7,11-14H2,1-5H3","""AuxInfo=1/0/N:1,23,24,25,29,10,9,18,19,3,5,7,12,21,2,4,11,8,17,14,16,26,22,15,30,28,6,13,20,27,31/E:(2,3,4)/rA:31CCCCCNCCCCCCNCNCCCCNCCCCCCONCNO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s11;s8s12;s13;d14;s15;d16;s17;s14d18;s17;s20;s21;s22;s22;s22;s20;d26;s16s26;s28;d4;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-VMNYVCMDPUOQEL_on_O00591_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_O14764_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P14867_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P18505_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P18507_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P28472_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P31644_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P34903_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P47869_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P47870_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P48169_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_P78334_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_Q16445_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMNYVCMDPUOQEL_on_Q99928_WT,Low,ChEMBL30,CHEMBL55147,O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2,VMNYVCMDPUOQEL,VMNYVCMDPUOQEL-UHFFFAOYSA-N,InChI=1S/C15H8BrFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCBrCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-VMPDRJKDAILQAL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2071569;44091574,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)cc1,VMPDRJKDAILQAL,VMPDRJKDAILQAL-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2N3O2/c19-13-4-6-15(7-5-13)23-10-12(9-16(23)24)18-21-17(22-25-18)11-2-1-3-14(20)8-11/h1-8,12H,9-10H2","""AuxInfo=1/0/N:10,9,11,21,24,20,25,14,3,17,8,4,22,12,19,2,7,5,23,13,6,15,18,1,16/E:(4,5)(6,7)/rA:25OCCCCNCCCCCCClCNOCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730;PubChemAID:676851,PMID:22832311,2012.0,PMID:22832311;PubChemAID:676851,2012;2013,0,1;0,0,0,0;1,,=,  6.850;  6.854,6.852,0.002,0.002,2.0,6.852,0.002
-VMVIBHPQZUBRKV_on_Q14416_WT,High,ChEMBL30,CHEMBL608103,Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2c1cccc2,VMVIBHPQZUBRKV,VMVIBHPQZUBRKV-UHFFFAOYSA-N,"InChI=1S/C20H22ClN3/c1-23-19-8-3-2-7-18(19)22-20(23)14-24-11-9-15(10-12-24)16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,23,22,11,10,12,24,21,7,16,6,17,15,4,8,9,13,19,20,3,14,18,2,5/E:(9,10)(11,12)/rA:24CNCCNCCCCCCCCClCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s9d13;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071917;CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  5.400;  7.000,6.2,0.8,0.8,2.0,6.2,0.8
-VMWCOQFVCDNNMM_on_Q14416_WT,High,ChEMBL30,CHEMBL1669397,CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccncc4)cc3)c2)c1=O,VMWCOQFVCDNNMM,VMWCOQFVCDNNMM-UHFFFAOYSA-N,"InChI=1S/C23H19ClN2O2/c1-2-12-26-13-9-17-14-18(15-21(24)22(17)23(26)27)16-3-5-19(6-4-16)28-20-7-10-25-11-8-20/h3-11,13-15H,2,12H2,1H3","""AuxInfo=1/0/N:1,2,14,25,15,24,19,23,6,20,22,3,5,26,11,13,7,12,16,18,9,8,27,10,21,4,28,17/E:(3,4)(5,6)(7,8)(10,11)/rA:28CCCNCCCCCClCCCCCCOCCCNCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;s7d12;s4s8;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-VMYLKGAEBQHVPE_on_P14867_WT,Low,ChEMBL30,CHEMBL111740,CC(C)c1cc(C(C)C)c(O)c(O)c1,VMYLKGAEBQHVPE,VMYLKGAEBQHVPE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,13-14H,1-4H3","""AuxInfo=1/0/N:1,3,8,9,5,14,2,7,4,6,12,10,13,11/E:(1,2)(3,4)/rA:14CCCCCCCCCCOCOC/rB:s1;s2;s2;d4;s5;s6;s7;s7;d6;s10;s10;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678911;CHEMBL678910,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  4.400;  3.700,4.05,0.35,0.35,2.0,4.05,0.35
-VMYLKGAEBQHVPE_on_P18507_WT,Low,ChEMBL30,CHEMBL111740,CC(C)c1cc(C(C)C)c(O)c(O)c1,VMYLKGAEBQHVPE,VMYLKGAEBQHVPE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,13-14H,1-4H3","""AuxInfo=1/0/N:1,3,8,9,5,14,2,7,4,6,12,10,13,11/E:(1,2)(3,4)/rA:14CCCCCCCCCCOCOC/rB:s1;s2;s2;d4;s5;s6;s7;s7;d6;s10;s10;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.700;  4.400,4.05,0.35,0.35,2.0,4.05,0.35
-VMYLKGAEBQHVPE_on_P47870_WT,Low,ChEMBL30,CHEMBL111740,CC(C)c1cc(C(C)C)c(O)c(O)c1,VMYLKGAEBQHVPE,VMYLKGAEBQHVPE-UHFFFAOYSA-N,"InChI=1S/C12H18O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,13-14H,1-4H3","""AuxInfo=1/0/N:1,3,8,9,5,14,2,7,4,6,12,10,13,11/E:(1,2)(3,4)/rA:14CCCCCCCCCCOCOC/rB:s1;s2;s2;d4;s5;s6;s7;s7;d6;s10;s10;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.700;  4.400,4.05,0.35,0.35,2.0,4.05,0.35
-VMYVWVWJLLTZFE_on_P41594_WT,High,ChEMBL30,CHEMBL2431418,COc1c(C)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1,VMYVWVWJLLTZFE,VMYVWVWJLLTZFE-UHFFFAOYSA-N,"InChI=1S/C27H28N6O2/c1-20-9-10-22(17-24(20)35-2)23-18-33(26(30-23)21-7-4-3-5-8-21)19-25(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-18H,13-16,19H2,1-2H3","""AuxInfo=1/0/N:5,1,31,30,32,22,29,33,6,7,21,23,16,26,17,25,35,10,12,4,28,8,9,3,13,27,19,20,24,34,15,18,11,14,2/E:(4,5)(7,8)(11,12)(13,14)(15,16)(28,29)/rA:35COCCCCCCCCNCCONCCNCNCCCNCCCCCCCCCNC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s15s25;s11;s27;d28;s29;d30;s31;s28d32;s9d27;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-VNFGDQDVAPHJEA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106809;CHEMBL3905282,CC1COCCN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1,VNFGDQDVAPHJEA,VNFGDQDVAPHJEA-UHFFFAOYSA-N,"InChI=1S/C20H23N5O2/c1-13-12-27-6-5-25(13)10-14-3-4-16-17(15-9-22-24(2)11-15)8-19(20(21)26)23-18(16)7-14/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(H2,21,26)","""AuxInfo=1/1/N:1,17,10,11,6,5,27,20,19,8,15,3,2,9,14,12,13,26,21,22,23,18,25,16,7,24,4/rA:27CCCOCCNCCCCCCCCNCNCCCCNONCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;s16;s16;s14d18;d13;s20;s21;s22;d22;d21;s12s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.710;  6.410,6.56,0.15,0.15,2.0,6.56,0.15
-VNFZCRPFALLSNM_on_O00591_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_O14764_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P14867_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P18505_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P18507_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P28472_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P31644_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P34903_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P47869_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P47870_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P48169_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_P78334_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_Q16445_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNFZCRPFALLSNM_on_Q99928_WT,Low,ChEMBL30,CHEMBL91186,CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1,VNFZCRPFALLSNM,VNFZCRPFALLSNM-UHFFFAOYSA-N,"InChI=1S/C18H24OS2/c1-18(2,3)16-12-20-17(21-13-16)15-9-7-14(8-10-15)6-4-5-11-19/h7-10,16-17,19H,5,11-13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,15,13,11,18,10,19,16,6,21,12,9,5,8,2,17,7,20/E:(1,2,3)(7,8)(9,10)(12,13)(20,21)/rA:21CCCCCCSCCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s16;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-VNNOWNSHITXOMY_on_O15399_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_O60391_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNNOWNSHITXOMY_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365804,COC(=O)c1cccc(C=NN=C(N)N)c1,VNNOWNSHITXOMY,VNNOWNSHITXOMY-UHFFFAOYSA-N,"InChI=1S/C10H12N4O2/c1-16-9(15)8-4-2-3-7(5-8)6-13-14-10(11)12/h2-6H,1H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,8,6,16,10,9,5,3,13,14,15,11,12,4,2/E:(11,12)/rA:16COCOCCCCCCNNCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;w?10;s11;w?12;s13;s13;s5d9;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-VNQLCFICOVVCGM_on_O15399_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_O60391_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_Q05586_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_Q12879_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_Q13224_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNQLCFICOVVCGM_on_Q14957_WT,Low,ChEMBL30,CHEMBL42307,O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2,VNQLCFICOVVCGM,VNQLCFICOVVCGM-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O5/c18-11-9-12-13(20-17(23)16(22)19-12)14(21(24)25)15(11)26-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,19,22)(H,20,23)","""AuxInfo=1/1/N:13,12,14,8,11,15,9,7,18,10,16,19,20,4,5,24,22,17,26,21,2,25,23,1,3,6/E:(2,3)(5,6)(24,25)/CRV:21.5/rA:26ON+O-CCOCCCCCCCCCCFCCCNCOCON/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s5;s16;d16;s18;s4d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-VNSQMHJPVJKTNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL379317,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1,VNSQMHJPVJKTNQ,VNSQMHJPVJKTNQ-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-VNSQMHJPVJKTNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL379317,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1,VNSQMHJPVJKTNQ,VNSQMHJPVJKTNQ-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-VNSQMHJPVJKTNQ_on_P34903_WT,Low,ChEMBL30,CHEMBL379317,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1,VNSQMHJPVJKTNQ,VNSQMHJPVJKTNQ-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,31,22,7,4,25,29,13,18,23,6,24,12,9,30,19,5,21,3,20,10,2,11,8/rA:31CNNCNCCOCNNCCCCCCCFNNCCCCCCCCClC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-VNVSYPPNINVFFU_on_P41594_WT,High,ChEMBL30,CHEMBL3597585,O=C(C#Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1,VNVSYPPNINVFFU,VNVSYPPNINVFFU-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3/c23-19(11-10-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-9-18(17)22(24)25/h1-9H,12-15H2","""AuxInfo=1/0/N:8,7,9,17,18,6,10,16,19,4,3,13,24,12,25,5,15,20,2,14,11,21,1,22,23/E:(2,3)(6,7)(12,13)(14,15)(24,25)/CRV:22.5/rA:25OCCCCCCCCCNCCNCCCCCCN+OO-CC/rB:d1;s2;t3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s21;s14;s11s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-VNYYMZMWJYJEMT_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797677,CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12,VNYYMZMWJYJEMT,VNYYMZMWJYJEMT-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O2S/c1-4-20-17(26)16-11(3)27-18-22-13(8-15(25)24(16)18)10-23(5-2)14-7-6-12(19)9-21-14/h6-9H,4-5,10H2,1-3H3,(H,20,26)","""AuxInfo=1/1/N:1,16,8,2,15,19,18,24,22,13,7,20,12,17,25,6,4,10,21,3,23,11,14,27,26,5,9/rA:27CCNCOCCCSCNCCNCCCCCCFCNCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s15;s14;d17;s18;d19;s20;s20;s17d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-VNYYMZMWJYJEMT_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797677,CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12,VNYYMZMWJYJEMT,VNYYMZMWJYJEMT-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O2S/c1-4-20-17(26)16-11(3)27-18-22-13(8-15(25)24(16)18)10-23(5-2)14-7-6-12(19)9-21-14/h6-9H,4-5,10H2,1-3H3,(H,20,26)","""AuxInfo=1/1/N:1,16,8,2,15,19,18,24,22,13,7,20,12,17,25,6,4,10,21,3,23,11,14,27,26,5,9/rA:27CCNCOCCCSCNCCNCCCCCCFCNCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;s15;s14;d17;s18;d19;s20;s20;s17d22;d12;s24;d25;s6s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-VNZGTPXGIPDLPN_on_P41594_WT,Medium,ChEMBL30,CHEMBL4108872;CHEMBL3906106,Cn1ccc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)n1,VNZGTPXGIPDLPN,VNZGTPXGIPDLPN-UHFFFAOYSA-N,"InChI=1S/C19H21N5O/c1-24-12-4-16(23-24)17(25)22-19-6-2-5-18(14-19,8-9-19)7-3-15-13-20-10-11-21-15/h4,10-13H,2,5-6,8-9,14H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,11,15,4,12,10,14,22,23,19,20,3,17,24,16,5,6,13,9,18,21,8,25,2,7/rA:25CNCCCCONCCCCCCCCCNCCNCCCN/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s9s22;s9s13;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0,0,0,1,0,,=,  6.230;  7.470,6.85,0.62,0.62,2.0,6.85,0.62
-VOAXDFSHULBBMY_on_P41594_WT,High,ChEMBL30,CHEMBL2151484,Cc1cc(-c2noc(C3CN(C(=O)C4CCCCC4)C3)n2)ccc1,VOAXDFSHULBBMY,VOAXDFSHULBBMY-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-13-6-5-9-15(10-13)17-20-18(24-21-17)16-11-22(12-16)19(23)14-7-3-2-4-8-14/h5-6,9-10,14,16H,2-4,7-8,11-12H2,1H3","""AuxInfo=1/0/N:1,17,16,18,23,24,15,19,22,3,10,20,2,14,4,9,5,8,12,21,6,11,13,7/E:(3,4)(7,8)(11,12)/rA:24CCCCCNOCCCNCOCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s9s11;s5d8;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-VOBVCEQBQBJLBI_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684122,CC(C)CN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O,VOBVCEQBQBJLBI,VOBVCEQBQBJLBI-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-14(2)13-23-11-10-19-18(20(23)24)9-8-17(22-19)7-6-15-4-3-5-16(21)12-15/h3-5,8-9,12,14H,10-11,13H2,1-2H3","""AuxInfo=1/0/N:1,3,20,21,19,14,13,11,10,7,6,16,4,2,15,17,12,9,8,23,18,22,5,24/E:(1,2)/rA:24CCCCNCCCCCCCCCCCCFCCCNCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s12;t13;s14;d15;s16;s17;d17;s19;s15d20;s8d12;s5s9;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-VODBIEFPGCSQCF_on_Q14416_WT,High,ChEMBL30,CHEMBL595043,CC(C)(C)c1ccc(-c2c(C#N)c3ncc(CC(F)(F)F)n3cc2)cc1,VODBIEFPGCSQCF,VODBIEFPGCSQCF-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3/c1-19(2,3)14-6-4-13(5-7-14)16-8-9-26-15(10-20(21,22)23)12-25-18(26)17(16)11-24/h4-9,12H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,7,25,6,26,24,23,17,11,15,8,5,16,9,10,13,2,18,19,20,21,12,14,22/E:(1,2,3)(4,5)(6,7)(21,22,23)/rA:26CCCCCCCCCCCNCNCCCCFFFNCCCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;t11;s10;d13;s14;d15;s16;s17;s18;s18;s18;s13s16;s22;s9d23;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-VOEOWZAMUAVMLK_on_Q14833_WT,High,ChEMBL30,CHEMBL1672239,O=C(Nc1cc(C(F)(F)F)c(NC(=O)c2ccccc2Cl)cc1)c1ncccc1,VOEOWZAMUAVMLK,VOEOWZAMUAVMLK-UHFFFAOYSA-N,"InChI=1S/C20H13ClF3N3O2/c21-15-6-2-1-5-13(15)18(28)27-16-9-8-12(11-14(16)20(22,23)24)26-19(29)17-7-3-4-10-25-17/h1-11H,(H,26,29)(H,27,28)","""AuxInfo=1/1/N:17,18,28,27,16,19,29,23,22,26,5,4,15,6,20,11,24,13,2,7,21,8,9,10,25,3,12,14,1/E:(22,23,24)/rA:29OCNCCCCFFFCNCOCCCCCCClCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s20;s11;s4d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-VOFZVGRAKOZVJU_on_P41594_WT,High,ChEMBL30,CHEMBL461034,CC(C)(C)NC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1,VOFZVGRAKOZVJU,VOFZVGRAKOZVJU-UHFFFAOYSA-N,"InChI=1S/C18H22FN5O/c1-18(2,3)20-17(25)23-10-8-13(9-11-23)15-12-24(22-21-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,3,4,19,20,18,21,10,24,9,25,13,11,16,12,15,6,2,17,5,23,22,8,14,7/E:(1,2,3)/rA:25CCCCNCONCCCCCNCCFCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.070,5.07,0.0,0.0,1.0,5.07,0.0
-VOFZVGRAKOZVJU_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,44588428;CHEMBL461034,CC(C)(C)NC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1,VOFZVGRAKOZVJU,VOFZVGRAKOZVJU-UHFFFAOYSA-N,"InChI=1S/C18H22FN5O/c1-18(2,3)20-17(25)23-10-8-13(9-11-23)15-12-24(22-21-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3,(H,20,25)","""AuxInfo=1/1/N:1,3,4,18,17,19,16,10,24,9,25,13,11,20,12,15,6,2,21,5,23,22,8,14,7/E:(1,2,3)/rA:25CCCCNCONCCCCCNCCCCCCFNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:389921;CHEMBL1032406,PMID:18849168,2008.0,PubChemAID:389921;PMID:18849168,2010;2008,0;1,0,0,0,1;0,,=,  7.244;  7.240,7.242000000000001,0.002,0.002,2.0,7.242000000000001,0.002
-VOGKDWAYBUFNED_on_Q14833_WT,High,ChEMBL30,CHEMBL2023451,Cc1nn(-c2ccccc2)cc1-c1ccnc2ccccc12,VOGKDWAYBUFNED,VOGKDWAYBUFNED-UHFFFAOYSA-N,"InChI=1S/C19H15N3/c1-14-18(13-22(21-14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3","""AuxInfo=1/0/N:1,8,7,9,20,19,6,10,21,18,14,15,11,2,5,13,22,12,17,16,3,4/E:(3,4)(7,8)/rA:22CCNNCCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s4;s2d11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-VOROEQBFPPIACJ_on_O15399_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.750;  5.430,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_O60391_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.430;  6.750,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.430;  6.750,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.750;  5.430,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.750;  5.430,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.430;  6.750,6.09,0.66,0.66,2.0,6.09,0.66
-VOROEQBFPPIACJ_on_Q14416_WT,Low,ChEMBL30,CHEMBL71898,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.688,3.688,0.0,0.0,1.0,3.688,0.0
-VOROEQBFPPIACJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL84612,NC(CCCP(=O)(O)O)C(=O)O,VOROEQBFPPIACJ,VOROEQBFPPIACJ-UHFFFAOYSA-N,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,10,1,11,12,7,8,9,6/E:(7,8)(9,10,11)/rA:12NCCCCPOOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s2;d10;s10;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  6.750;  5.430,6.09,0.66,0.66,2.0,6.09,0.66
-VOSOBDPCWNHRAP_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,342595;CHEMBL361478,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1F,VOSOBDPCWNHRAP,VOSOBDPCWNHRAP-UHFFFAOYSA-N,"InChI=1S/C22H16FN3O/c23-19-14-8-7-13-18(19)22(27)24-21-15-20(16-9-3-1-4-10-16)25-26(21)17-11-5-2-6-12-17/h1-15H,(H,24,27)","""AuxInfo=1/1/N:10,18,9,11,17,19,23,24,8,12,16,20,22,25,5,7,15,21,26,6,4,2,27,3,13,14,1/E:(3,4)(5,6)(9,10)(11,12)/rA:27OCNCCCCCCCCCNNCCCCCCCCCCCCF/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:240173;CHEMBL829868,PMID:15537338,2004.0,PubChemAID:240173;PMID:15537338,2010;2004,0,0;1,0,0,1;0,,=,  7.125;  7.120,7.122999999999999,0.003,0.003,2.0,7.122999999999999,0.002
-VOVGYBOEGUOGJQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1783248,CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N,VOVGYBOEGUOGJQ,VOVGYBOEGUOGJQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-11-22-20(25)19-17(21)15-10-6-9-14(18(15)23-24-19)16-12(2)7-5-8-13(16)3/h5-10H,4,11H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,14,19,2,16,21,15,17,20,22,3,13,18,11,23,12,24,10,7,5,25,4,9,8,6/E:(2,3)(7,8)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s13;d15;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-VOVGYBOEGUOGJQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1783248,CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N,VOVGYBOEGUOGJQ,VOVGYBOEGUOGJQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-11-22-20(25)19-17(21)15-10-6-9-14(18(15)23-24-19)16-12(2)7-5-8-13(16)3/h5-10H,4,11H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,14,19,2,16,21,15,17,20,22,3,13,18,11,23,12,24,10,7,5,25,4,9,8,6/E:(2,3)(7,8)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s13;d15;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-VOVGYBOEGUOGJQ_on_P47869_WT,Low,ChEMBL30,CHEMBL1783248,CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N,VOVGYBOEGUOGJQ,VOVGYBOEGUOGJQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O/c1-4-11-22-20(25)19-17(21)15-10-6-9-14(18(15)23-24-19)16-12(2)7-5-8-13(16)3/h5-10H,4,11H2,1-3H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,14,19,2,16,21,15,17,20,22,3,13,18,11,23,12,24,10,7,5,25,4,9,8,6/E:(2,3)(7,8)(12,13)/rA:25CCCNCOCNNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s13;d15;s16;s12d17;s18;d11;s20;d21;s10s22;s7d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-VOXQZRWPGSQDJN_on_Q13255_WT,High,ChEMBL30,CHEMBL2397376,CC1CN(c2ccncn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,VOXQZRWPGSQDJN,VOXQZRWPGSQDJN-UHFFFAOYSA-N,"InChI=1S/C20H28N4O/c1-14-12-23(18-2-3-21-13-22-18)4-5-24(14)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,13-17H,4-12H2,1H3","""AuxInfo=1/0/N:1,6,7,11,12,19,21,23,25,17,24,3,9,2,20,18,22,5,14,16,8,10,4,13,15/E:(6,7,8)(9,10,11)(15,16,17)/rA:25CCCNCCCNCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s4;s11;s2s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s18s22;s16s22;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  5.880;  5.880,5.88,0.0,0.0,2.0,5.88,0.0
-VOYBJCDMLJODRK_on_O00222_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2156669,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_O15303_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2156667,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2151817;58368068,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156072;PubChemAID:690986,PMID:22981332,2012.0,PMID:22981332;PubChemAID:690986,2012;2013,0,1;0,0,0,0;1,,=,  7.160;  7.155,7.1579999999999995,0.003,0.003,2.0,7.1579999999999995,0.002
-VOYBJCDMLJODRK_on_Q13255_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2156073,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_Q14416_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156074,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_Q14831_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL2156668,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_Q14832_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2156075,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOYBJCDMLJODRK_on_Q14833_WT,Low,ChEMBL30,CHEMBL2151817,CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C,VOYBJCDMLJODRK,VOYBJCDMLJODRK-UHFFFAOYSA-N,"InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)","""AuxInfo=1/1/N:1,22,23,24,17,18,16,7,8,13,20,11,2,12,6,14,9,4,21,15,19,3,5,10/E:(2,3,4)/rA:24CCNCOCCCCOCCCCFCCCNCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s14;d14;s16;s12d17;s9;s6d19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2156666,PMID:22981332,2012.0,PMID:22981332,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VOZOMZWSLGQRKP_on_O00591_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.260;  7.130,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_O14764_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.130;  7.260,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_P14867_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427528;CHEMBL3427528;CHEMBL3427519;CHEMBL3427519;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;0;1;1;0;0,1;1;0;0;1;1,0,0,0,,=,  6.920;  6.430;  7.260;  7.130;  6.450;  6.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P18505_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427519;CHEMBL3427528;CHEMBL3427528;CHEMBL3427519;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;0;0;0;1;1,1;1;1;1;0;0,0,0,0,,=,  6.260;  6.450;  6.920;  6.430;  7.130;  7.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P18507_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.260;  7.130,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_P28472_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427528;CHEMBL3427519;CHEMBL3427519;CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430053;CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1;0;0;0,1;0;0;1;1;1,0,0,0,,=,  6.430;  7.260;  7.130;  6.450;  6.920;  6.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P31644_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519;CHEMBL3427519;CHEMBL3427519;CHEMBL3427528;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.260;  7.130;  6.260;  6.450;  6.920;  6.430,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P34903_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528;CHEMBL3427528;CHEMBL3427528;CHEMBL3427519;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.130;  7.260;  6.920;  6.430;  6.450;  6.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P47869_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528;CHEMBL3427519;CHEMBL3427528;CHEMBL3427519;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;0;0;0;1,0;1;1;1;1;0,0,0,0,,=,  7.130;  6.430;  6.260;  6.920;  6.450;  7.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P47870_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519;CHEMBL3427519;CHEMBL3427519;CHEMBL3427528;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3427980;CHEMBL3430053,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0;0;0;0,0;0;1;1;1;1,0,0,0,,=,  7.260;  7.130;  6.450;  6.260;  6.920;  6.430,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P48169_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528;CHEMBL3427528;CHEMBL3427519;CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3427980;CHEMBL3430053;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0;0;0;1,1;0;1;1;1;0,0,0,0,,=,  6.260;  7.260;  6.920;  6.450;  6.430;  7.130,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_P78334_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.260;  7.130,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427528;CHEMBL3427519,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.260;  7.130,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.130;  7.260,7.195,0.065,0.065,2.0,7.195,0.065
-VOZOMZWSLGQRKP_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427519;CHEMBL3427519;CHEMBL3427528;CHEMBL3427528;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430053;CHEMBL3427980;CHEMBL3430053;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;0;0;0;1,1;0;1;1;1;0,0,0,0,,=,  6.260;  7.130;  6.450;  6.920;  6.430;  7.260,6.742000000000001,0.38,0.17,6.0,6.685,0.34
-VOZOMZWSLGQRKP_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427519;CHEMBL3427528,CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C,VOZOMZWSLGQRKP,VOZOMZWSLGQRKP-UHFFFAOYSA-N,"InChI=1S/C21H34O2/c1-13(22)18-6-7-19-17-5-4-14-12-20(2,23)10-8-15(14)16(17)9-11-21(18,19)3/h14-19,23H,4-12H2,1-3H3","""AuxInfo=1/0/N:1,14,23,10,9,5,6,17,20,16,21,12,2,11,18,19,8,4,7,13,22,3,15/rA:23CCOCCCCCCCCCCCOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;s16;s11s17;s8s18;s19;s20;s4s7s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  7.130;  7.260,7.195,0.065,0.065,2.0,7.195,0.065
-VOZTVDTYJWDULD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580121;CHEMBL2349552,Cc1ccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)nc1,VOZTVDTYJWDULD,VOZTVDTYJWDULD-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-11-4-9-15(20-10-11)21-18(24)16-12(2)17(23(3)22-16)13-5-7-14(19)8-6-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,22,12,3,15,20,16,19,4,24,2,21,14,17,5,9,13,7,18,23,6,10,11,8/E:(5,6)(7,8)/rA:24CCCCCNCOCNNCCCCCCFCCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;d9;s10;s11;s11;s13;d14;s15;d16;s17;s17;s14d19;s9d13;s21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.042;  7.040,7.041,0.001,0.001,2.0,7.041,0.001
-VPATYQHRARKFEE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113748,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)ccn1,VPATYQHRARKFEE,VPATYQHRARKFEE-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O2/c1-12-9-14(5-7-26-12)19-17-6-8-29-13(2)11-28(17)20(27-19)15-3-4-16(22)18(10-15)30-21(23,24)25/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,28,7,29,8,3,26,12,2,10,4,15,18,6,20,5,14,22,19,23,24,25,30,27,13,9,21/E:(23,24,25)/rA:30CCCCCCCCOCCCNCCCCCFCOCFFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s22;s22;s15d20;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-VPBWRTLHSGJYAL_on_O00591_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_O14764_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P14867_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P18505_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P18507_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P28472_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P31644_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P34903_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P47869_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P47870_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P48169_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_P78334_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_Q16445_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPBWRTLHSGJYAL_on_Q99928_WT,Low,ChEMBL30,CHEMBL12063,CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1,VPBWRTLHSGJYAL,VPBWRTLHSGJYAL-UHFFFAOYSA-N,"InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,17,18,16,19,10,15,11,3,14,5,12,6,4,13,7,8/rA:19CCCNCCOOCCCCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;d5;s10;s3d11;s12;s13;s11d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-VPCAKWANAGEVCY_on_P41594_WT,High,ChEMBL30,CHEMBL2151626,COC1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1,VPCAKWANAGEVCY,VPCAKWANAGEVCY-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O3/c1-25-15-6-3-7-22(11-15)18(24)23-9-13(10-23)17-20-16(21-26-17)12-4-2-5-14(19)8-12/h2,4-5,8,13,15H,3,6-7,9-11H2,1H3","""AuxInfo=1/0/N:1,18,5,17,19,4,6,22,11,25,26,16,12,20,3,15,13,8,21,14,23,7,10,9,2,24/E:(9,10)/rA:26COCCCCNCONCCCNCCCCCCClCNOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s16d20;d15;s13s23;s10s12;s3s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.740,5.74,0.0,0.0,1.0,5.74,0.0
-VPDWLTLORANIAR_on_Q14833_WT,High,ChEMBL30,CHEMBL584413,O=C(NCC1CC1)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,VPDWLTLORANIAR,VPDWLTLORANIAR-UHFFFAOYSA-N,"InChI=1S/C18H22Cl2N2O2/c19-12-7-13(20)9-14(8-12)22-18(24)16-4-2-1-3-15(16)17(23)21-10-11-5-6-11/h7-9,11,15-16H,1-6,10H2,(H,21,23)(H,22,24)","""AuxInfo=1/1/N:10,11,9,12,6,7,21,18,24,4,5,19,22,17,8,13,2,14,20,23,3,16,1,15/E:(5,6)(8,9)(12,13)(19,20)/rA:24OCNCCCCCCCCCCCONCCCClCCClC/rB:d1;s2;s3;s4;s5;s5s6;s2;s8;s9;s10;s11;s8s12;s13;d14;s14;s16;d17;s18;s19;d19;s21;s22;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VPEKQLSXDDFELD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3937045,O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1,VPEKQLSXDDFELD,VPEKQLSXDDFELD-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-18-7-6-14(10-19(18)22)20(26)24-8-9-25-16(12-24)11-15(23-25)13-27-17-4-2-1-3-5-17/h1-7,10-11H,8-9,12-13H2","""AuxInfo=1/0/N:22,21,23,20,24,4,5,12,13,10,25,27,17,3,16,26,19,6,8,2,7,9,15,11,14,1,18/E:(2,3)(4,5)/rA:27OCCCCCFCFCNCCNNCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s14d25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-VPFMOKLAKWAVBX_on_P41594_WT,High,ChEMBL30,CHEMBL4099357,CC(C)CC1COCc2nc(OCc3ccccn3)cc(=O)n21,VPFMOKLAKWAVBX,VPFMOKLAKWAVBX-UHFFFAOYSA-N,"InChI=1S/C17H21N3O3/c1-12(2)7-14-10-22-11-15-19-16(8-17(21)20(14)15)23-9-13-5-3-4-6-18-13/h3-6,8,12,14H,7,9-11H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,18,4,20,13,6,8,2,14,5,9,11,21,19,10,23,22,7,12/E:(1,2)/rA:23CCCCCCOCCNCOCCCCCCNCCON/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s20;d21;s5s9s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-VPGCEITXXWHIEU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3890093,CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C,VPGCEITXXWHIEU,VPGCEITXXWHIEU-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-20-10-14(11-21-16)8-7-13-5-4-6-15(19)9-13/h4-6,9-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,18,8,19,21,12,9,16,6,3,22,17,7,20,2,5,4/E:(1,2)(10,11)(20,21)/rA:24CNCONCNCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-VPLCQCIYEDZEMF_on_P41594_WT,Low,ChEMBL30,CHEMBL1783978,O=C(c1cccnc1)N1CCCC2(CCCCC2)C1,VPLCQCIYEDZEMF,VPLCQCIYEDZEMF-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c19-15(14-6-4-10-17-12-14)18-11-5-9-16(13-18)7-2-1-3-8-16/h4,6,10,12H,1-3,5,7-9,11,13H2","""AuxInfo=1/0/N:16,15,17,5,11,4,14,18,12,6,10,8,19,3,2,13,7,9,1/E:(2,3)(7,8)/rA:19OCCCCCNCNCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9s13;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-VPLUBPIQRLYTPL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106709,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1,VPLUBPIQRLYTPL,VPLUBPIQRLYTPL-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O/c1-13-9-17(5-6-19(13)23(24,25)26)22-28-21(18-10-14(2)27-15(3)11-18)20-7-8-30-16(4)12-29(20)22/h5-6,9-11,16H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:24,1,29,11,16,17,7,8,25,3,27,12,23,2,28,10,15,4,18,6,5,14,19,20,21,22,30,26,13,9/E:(2,3)(10,11)(14,15)(24,25,26)/rA:30CCCCCCCCOCCCNCCCCCCFFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s19;s19;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-VPNOHUFNVRVZRD_on_P41594_WT,High,ChEMBL30,CHEMBL3644402,O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,VPNOHUFNVRVZRD,VPNOHUFNVRVZRD-UHFFFAOYSA-N,"InChI=1S/C20H17F3N4O/c21-20(22,23)17-10-26(11-25-17)18-8-16-15-3-1-2-13(12-4-5-12)14(15)6-7-27(16)19(28)9-24-18/h1-3,8,10-12H,4-7,9H2","""AuxInfo=1/0/N:27,26,28,24,25,19,20,15,3,14,7,23,22,18,17,16,9,5,2,10,11,12,13,4,8,6,21,1/E:(4,5)(21,22,23)/rA:28OCCNCNCNCCFFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s23s24;d22;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-VPNOHUFNVRVZRD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644402,O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,VPNOHUFNVRVZRD,VPNOHUFNVRVZRD-UHFFFAOYSA-N,"InChI=1S/C20H17F3N4O/c21-20(22,23)17-10-26(11-25-17)18-8-16-15-3-1-2-13(12-4-5-12)14(15)6-7-27(16)19(28)9-24-18/h1-3,8,10-12H,4-7,9H2","""AuxInfo=1/0/N:27,26,28,24,25,19,20,15,3,14,7,23,22,18,17,16,9,5,2,10,11,12,13,4,8,6,21,1/E:(4,5)(21,22,23)/rA:28OCCNCNCNCCFFFCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10;s10;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s23s24;d22;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.780,5.78,0.0,0.0,1.0,5.78,0.0
-VPOBZVBTTIDGGK_on_P41594_WT,High,ChEMBL30,CHEMBL3644392,CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21,VPOBZVBTTIDGGK,VPOBZVBTTIDGGK-UHFFFAOYSA-N,"InChI=1S/C22H22N4O2/c1-14(27)16-6-3-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)28)25-12-19(24-13-25)15-4-2-5-15/h3,6-7,10,12-13,15H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,24,6,23,25,5,7,10,11,27,15,26,19,2,22,4,9,8,21,28,17,13,16,20,18,12,3,14/E:(4,5)/rA:28CCOCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;w?16;s17;s18;d19;s20;s21;s22;s23;s22s24;s18d21;s17;s8s12w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-VPOBZVBTTIDGGK_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644392,CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21,VPOBZVBTTIDGGK,VPOBZVBTTIDGGK-UHFFFAOYSA-N,"InChI=1S/C22H22N4O2/c1-14(27)16-6-3-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)28)25-12-19(24-13-25)15-4-2-5-15/h3,6-7,10,12-13,15H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,24,6,23,25,5,7,10,11,27,15,26,19,2,22,4,9,8,21,28,17,13,16,20,18,12,3,14/E:(4,5)/rA:28CCOCCCCCCCCNCOCNCNCNCCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;w?16;s17;s18;d19;s20;s21;s22;s23;s22s24;s18d21;s17;s8s12w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-VPPHOCSCZPLBIF_on_P14867_WT,Low,ChEMBL30,CHEMBL221356,CC(C)(C)c1ccc(-c2c(C3CCNCC3)onc2O)cc1,VPPHOCSCZPLBIF,VPPHOCSCZPLBIF-UHFFFAOYSA-N,"InChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-12(5-7-14)15-16(22-20-17(15)21)13-8-10-19-11-9-13/h4-7,13,19H,8-11H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,7,21,6,22,12,16,13,15,8,11,5,9,10,19,2,14,18,20,17/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22CCCCCCCCCCCCCNCCONCOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s11s15;s10;s17;s9d18;s19;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.590;  6.590,6.59,0.0,0.0,2.0,6.59,0.0
-VPPHOCSCZPLBIF_on_P18507_WT,Low,ChEMBL30,CHEMBL221356,CC(C)(C)c1ccc(-c2c(C3CCNCC3)onc2O)cc1,VPPHOCSCZPLBIF,VPPHOCSCZPLBIF-UHFFFAOYSA-N,"InChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-12(5-7-14)15-16(22-20-17(15)21)13-8-10-19-11-9-13/h4-7,13,19H,8-11H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,7,21,6,22,12,16,13,15,8,11,5,9,10,19,2,14,18,20,17/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22CCCCCCCCCCCCCNCCONCOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s11s15;s10;s17;s9d18;s19;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.590;  6.590,6.59,0.0,0.0,2.0,6.59,0.0
-VPPHOCSCZPLBIF_on_P28472_WT,Low,ChEMBL30,CHEMBL221356,CC(C)(C)c1ccc(-c2c(C3CCNCC3)onc2O)cc1,VPPHOCSCZPLBIF,VPPHOCSCZPLBIF-UHFFFAOYSA-N,"InChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-12(5-7-14)15-16(22-20-17(15)21)13-8-10-19-11-9-13/h4-7,13,19H,8-11H2,1-3H3,(H,20,21)","""AuxInfo=1/1/N:1,3,4,7,21,6,22,12,16,13,15,8,11,5,9,10,19,2,14,18,20,17/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22CCCCCCCCCCCCCNCCONCOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s11s15;s10;s17;s9d18;s19;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.590;  6.590,6.59,0.0,0.0,2.0,6.59,0.0
-VPPHPVWUPJYTQV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3973004,NC(=O)c1cc(-c2cn(CC(F)(F)F)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1,VPPHPVWUPJYTQV,VPPHPVWUPJYTQV-UHFFFAOYSA-N,"InChI=1S/C21H19F6N5O2/c22-20(23,24)11-32-9-13(7-29-32)15-6-17(19(28)33)30-16-5-12(1-2-14(15)16)8-31-3-4-34-18(10-31)21(25,26)27/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33)","""AuxInfo=1/1/N:19,18,23,24,32,5,16,21,8,31,10,20,7,17,6,33,4,26,2,11,27,12,13,14,28,29,30,1,15,34,22,9,3,25/E:(22,23,24)(25,26,27)/rA:34NCOCCCCCNCCFFFNCCCCCCNCCOCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;s9;s10;s11;s11;s11;s9;s7d15;d6;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s27;s27;s22s26;d20;s17s32;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-VPQOPIIMLMRDJT_on_P41594_WT,High,ChEMBL30,CHEMBL3644395,C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1,VPQOPIIMLMRDJT,VPQOPIIMLMRDJT-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-14(2)16-5-4-6-18-17(16)7-8-25-19(18)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13H,1,7-8,10,12H2,2-3H3","""AuxInfo=1/0/N:1,3,20,26,27,25,6,7,22,11,21,18,15,2,17,4,5,24,23,13,9,12,16,14,8,10,19/rA:27CCCCCCCNCOCNCNCNCCOCCCCCCCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;w?12;s13;s14;d15;s16;s17;s18;s19;s14d17;s13;s8w?22;s5s23;d24;s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-VPQOPIIMLMRDJT_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644395,C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1,VPQOPIIMLMRDJT,VPQOPIIMLMRDJT-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-14(2)16-5-4-6-18-17(16)7-8-25-19(18)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13H,1,7-8,10,12H2,2-3H3","""AuxInfo=1/0/N:1,3,20,26,27,25,6,7,22,11,21,18,15,2,17,4,5,24,23,13,9,12,16,14,8,10,19/rA:27CCCCCCCNCOCNCNCNCCOCCCCCCCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;w?12;s13;s14;d15;s16;s17;s18;s19;s14d17;s13;s8w?22;s5s23;d24;s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-VPTJFSRBGMCJRH_on_P41594_WT,Low,ChEMBL30,CHEMBL1289682,Fc1cc(Cl)c(C2CCN(C(=S)COCc3ccncc3)CC2)cc1,VPTJFSRBGMCJRH,VPTJFSRBGMCJRH-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN2OS/c20-18-11-16(21)1-2-17(18)15-5-9-23(10-6-15)19(25)13-24-12-14-3-7-22-8-4-14/h1-4,7-8,11,15H,5-6,9-10,12-13H2","""AuxInfo=1/0/N:25,24,17,21,8,23,18,20,9,22,3,15,13,16,7,2,6,4,11,5,1,19,10,14,12/E:(3,4)(5,6)(7,8)(9,10)/rA:25FCCCClCCCCNCSCOCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s10;s7s22;s6;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,<,  4.975,4.975,0.0,0.0,1.0,4.975,0.0
-VPXFPNMITJYXJS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3929631,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,VPXFPNMITJYXJS,VPXFPNMITJYXJS-UHFFFAOYSA-N,"InChI=1S/C25H22F4N4O3/c1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-16-17(10-20(23(30)34)32-19(16)8-14)15-5-7-21(36-2)18(26)9-15/h4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34)","""AuxInfo=1/1/N:1,19,2,10,15,11,16,30,22,23,8,6,31,9,14,12,13,20,29,24,17,5,25,3,33,21,34,35,36,26,32,28,7,27,4,18/E:(27,28,29)/rA:36CCCOCCNCCCCCCCCCCOCCFCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s20;s14d20;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s7;s5d31;s3;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-VPZNSIBKEAVWAN_on_P31644_WT,High,ChEMBL30,CHEMBL3681559,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cccc(F)c2F)no1,VPZNSIBKEAVWAN,VPZNSIBKEAVWAN-UHFFFAOYSA-N,"InChI=1S/C22H21F2N3O4/c1-13-17(21(27-31-13)16-3-2-4-18(23)20(16)24)12-30-19-6-5-14(11-25-19)22(28)26-15-7-9-29-10-8-15/h2-6,11,15H,7-10,12H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,24,23,25,8,7,14,18,15,17,19,4,2,9,13,22,3,26,6,28,21,10,27,29,20,12,30,11,16,5,31/E:(7,8)(9,10)/rA:31CCCCOCCCCCONCCCOCCCNCCCCCCFCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s26;s22d26;s28;d21;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-VPZOLJKOURRVNO_on_P14867_WT,Low,ChEMBL30,CHEMBL1852835,COc1cccc(COc2ccc(-c3nn(CCCC(=O)O)c(=N)cc3)cc2)c1,VPZOLJKOURRVNO,VPZOLJKOURRVNO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)","""AuxInfo=1/1/N:1,5,18,6,4,19,12,27,11,28,26,25,17,29,8,7,13,10,3,14,23,20,24,15,16,21,22,2,9/E:(7,8)(9,10)(26,27)/rA:29COCCCCCCOCCCCCNNCCCCOOCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s18;s19;d20;s20;s16;d23;s23;s14d25;s13;s10d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-VPZOLJKOURRVNO_on_P18507_WT,Low,ChEMBL30,CHEMBL1852835,COc1cccc(COc2ccc(-c3nn(CCCC(=O)O)c(=N)cc3)cc2)c1,VPZOLJKOURRVNO,VPZOLJKOURRVNO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)","""AuxInfo=1/1/N:1,5,18,6,4,19,12,27,11,28,26,25,17,29,8,7,13,10,3,14,23,20,24,15,16,21,22,2,9/E:(7,8)(9,10)(26,27)/rA:29COCCCCCCOCCCCCNNCCCCOOCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s18;s19;d20;s20;s16;d23;s23;s14d25;s13;s10d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-VPZOLJKOURRVNO_on_P47870_WT,Low,ChEMBL30,CHEMBL1852835,COc1cccc(COc2ccc(-c3nn(CCCC(=O)O)c(=N)cc3)cc2)c1,VPZOLJKOURRVNO,VPZOLJKOURRVNO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)","""AuxInfo=1/1/N:1,5,18,6,4,19,12,27,11,28,26,25,17,29,8,7,13,10,3,14,23,20,24,15,16,21,22,2,9/E:(7,8)(9,10)(26,27)/rA:29COCCCCCCOCCCCCNNCCCCOOCNCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s16;s17;s18;s19;d20;s20;s16;d23;s23;s14d25;s13;s10d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1799216,PMID:21664131,2011.0,PMID:21664131,2011,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-VQAOBNKKATVAHJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL374815;11681575,CCc1ccc(-n2cnc3c(sc4c3c(NC)ccn4)c2=O)cc1,VQAOBNKKATVAHJ,VQAOBNKKATVAHJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-3-11-4-6-12(7-5-11)22-10-21-15-14-13(19-2)8-9-20-17(14)24-16(15)18(22)23/h4-10H,3H2,1-2H3,(H,19,20)","""AuxInfo=1/1/N:1,17,2,4,24,5,23,18,19,8,3,6,15,14,10,11,13,21,16,20,9,7,22,12/E:(4,5)(6,7)/rA:24CCCCCCNCNCCSCCCNCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d15;s18;s13d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420;PubChemAID:282966,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282966,2005;2010,1;0,0,0,0,0;1,,=,  5.220;  5.225,5.223,0.002,0.002,2.0,5.223,0.002
-VQAOBNKKATVAHJ_on_Q13255_WT,High,ChEMBL30,CHEMBL374815,CCc1ccc(-n2cnc3c(sc4c3c(NC)ccn4)c2=O)cc1,VQAOBNKKATVAHJ,VQAOBNKKATVAHJ-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-3-11-4-6-12(7-5-11)22-10-21-15-14-13(19-2)8-9-20-17(14)24-16(15)18(22)23/h4-10H,3H2,1-2H3,(H,19,20)","""AuxInfo=1/1/N:1,17,2,4,24,5,23,18,19,8,3,6,15,14,10,11,13,21,16,20,9,7,22,12/E:(4,5)(6,7)/rA:24CCCCCCNCNCCSCCCNCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d15;s18;s13d19;s7s11;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.010,7.01,0.0,0.0,1.0,7.01,0.0
-VQAWSSJLGHVFHE_on_P14867_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VQAWSSJLGHVFHE_on_P18507_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682253;CHEMBL681641;CHEMBL685339;CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.750;  8.000;  8.620;  8.120,8.122,0.317,0.183,4.0,8.06,0.185
-VQAWSSJLGHVFHE_on_P28472_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681641;CHEMBL681405;CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.750;  8.000;  8.120;  8.620,8.122,0.317,0.183,4.0,8.06,0.185
-VQAWSSJLGHVFHE_on_P31644_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-VQAWSSJLGHVFHE_on_P34903_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-VQAWSSJLGHVFHE_on_P47869_WT,Low,ChEMBL30,CHEMBL69946,CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1,VQAWSSJLGHVFHE,VQAWSSJLGHVFHE-UHFFFAOYSA-N,"InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)","""AuxInfo=1/1/N:1,3,12,11,21,20,13,23,4,22,17,5,10,7,16,8,2,19,18,6,14,9,15/E:(1,2)/rA:23CCCCCOCCSCCCCSSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;d10;s11;d12;s10s13;s8;s15;s16;d17;s18;s19;s17d20;s7d16;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-VQCKZBKEDHEQHN_on_P41594_WT,High,ChEMBL30,CHEMBL2403649,CC(C)S(=O)(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,VQCKZBKEDHEQHN,VQCKZBKEDHEQHN-UHFFFAOYSA-N,"InChI=1S/C17H18N2O2S2/c1-13(2)23(20,21)19-11-10-15-16(12-19)22-17(18-15)9-8-14-6-4-3-5-7-14/h3-7,13H,10-12H2,1-2H3","""AuxInfo=1/0/N:1,3,20,19,21,18,22,16,15,9,8,12,2,17,10,11,14,23,7,5,6,13,4/E:(1,2)(4,5)(6,7)(20,21)/CRV:23.6/rA:23CCCSOONCCCCCSCCCCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-VQDHLHBHEKASAU_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL576637;45484964,Cc1c(-c2ccc3[nH]ccc3c2)nnn1-c1cnccc1,VQDHLHBHEKASAU,VQDHLHBHEKASAU-UHFFFAOYSA-N,"InChI=1S/C16H13N5/c1-11-16(13-4-5-15-12(9-13)6-8-18-15)19-20-21(11)14-3-2-7-17-10-14/h2-10,18H,1H3","""AuxInfo=1/0/N:1,20,21,5,6,10,19,9,12,17,2,11,4,16,7,3,18,8,13,14,15/rA:21CCCCCCCNCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s7s10;s4d11;s3;d13;s2s14;s15;d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283;PubChemAID:446923,PMID:19692242,2009.0,PMID:19692242;PubChemAID:446923,2009;2010,1;0,0,0,0,0;1,,=,  6.600;  6.602,6.601,0.001,0.001,2.0,6.601,0.001
-VQENDYBPFSSMNH_on_O00591_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_O14764_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P14867_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P18505_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P18507_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P28472_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P31644_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P34903_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P47869_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P47870_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P48169_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_P78334_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_Q16445_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQENDYBPFSSMNH_on_Q99928_WT,Low,ChEMBL30,CHEMBL80609,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O,VQENDYBPFSSMNH,VQENDYBPFSSMNH-UHFFFAOYSA-N,"InChI=1S/C17H10N4O/c18-7-11-1-4-17-16(5-11)20-10-21(17)13-2-3-15-14(6-13)12(9-22)8-19-15/h1-6,8-10,19H","""AuxInfo=1/0/N:4,17,16,5,8,13,2,19,21,10,3,20,12,14,15,7,6,1,18,9,11,22/rA:22NCCCCCCCNCNCCCCCCNCCCO/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VQGDWRPRXJFPDW_on_P31644_WT,High,ChEMBL30,CHEMBL3676479,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2ccccc2)no1,VQGDWRPRXJFPDW,VQGDWRPRXJFPDW-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-13-17(19(23-26-13)14-5-3-2-4-6-14)12-25-18-10-7-15(11-21-18)20(24)22-16-8-9-16/h2-7,10-11,16H,8-9,12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,22,21,23,20,24,8,14,15,7,16,4,2,19,9,13,3,6,18,10,17,12,25,11,5,26/E:(3,4)(5,6)(8,9)/rA:26CCCCOCCCCCONCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-VQGXAVGEXNIDRU_on_Q14833_WT,High,ChEMBL30,CHEMBL4070594,Cc1ncccc1N1CCC(Cc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)CC1,VQGXAVGEXNIDRU,VQGXAVGEXNIDRU-UHFFFAOYSA-N,"InChI=1S/C28H26N4O2S/c1-18-25(3-2-9-29-18)32-10-6-19(7-11-32)13-20-4-5-26-22(14-20)23(31-33)15-27(34-26)24-16-28-21(17-30-24)8-12-35-28/h2-5,8-9,12,14-17,19,33H,6-7,10-11,13H2,1H3","""AuxInfo=1/0/N:1,5,6,14,15,10,34,23,4,9,35,24,12,33,28,27,21,2,11,13,22,32,29,19,7,16,18,26,3,20,30,8,31,17,25/E:(6,7)(10,11)/rA:35CCNCCCCNCCCCCCCCOCCNCCCCSCCCCNOCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;d23;s24;s22s25;s19d26;d18;s28;w?29;s30;s16s29;s13d32;s11;s8s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-VQLXBFWCXAIXEK_on_O15399_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.920;  5.150,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_O60391_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.150;  5.920,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.150;  5.920,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.150;  5.920,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.920;  5.150,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.150;  5.920,5.535,0.385,0.385,2.0,5.535,0.385
-VQLXBFWCXAIXEK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180171,N=C(N)NCc1cccc(CNC(=N)N)c1,VQLXBFWCXAIXEK,VQLXBFWCXAIXEK-UHFFFAOYSA-N,"InChI=1S/C10H16N6/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14/h1-4H,5-6H2,(H4,11,12,15)(H4,13,14,16)","""AuxInfo=1/1/N:8,7,9,16,5,11,6,10,2,13,1,3,14,15,4,12/E:(2,3)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16NCNNCCCCCCCNCNNC/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s13;s6d10;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.920;  5.150,5.535,0.385,0.385,2.0,5.535,0.385
-VQOCQIUPTKKXOJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950739,Fc1cncc(Nc2c3ncccc3n[nH]2)c1,VQOCQIUPTKKXOJ,VQOCQIUPTKKXOJ-UHFFFAOYSA-N,"InChI=1S/C11H8FN5/c12-7-4-8(6-13-5-7)15-11-10-9(16-17-11)2-1-3-14-10/h1-6H,(H2,15,16,17)","""AuxInfo=1/1/N:12,13,11,17,3,5,2,6,14,9,8,1,4,10,7,15,16/rA:17FCCNCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-VQOOIUSVMMFXEJ_on_P14867_WT,Low,ChEMBL30,CHEMBL115736,COc1ccc(-n2nc3c4c(CCCC4)ncc3c2O)cc1,VQOOIUSVMMFXEJ,VQOOIUSVMMFXEJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,21H,2-5H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,5,21,4,22,17,6,3,10,18,11,9,19,16,8,7,20,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCCCCCNCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s13;s10s14;s11;d16;s9s17;s7d18;s19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.510,9.51,0.0,0.0,1.0,9.51,0.0
-VQOOIUSVMMFXEJ_on_P18507_WT,Low,ChEMBL30,CHEMBL115736,COc1ccc(-n2nc3c4c(CCCC4)ncc3c2O)cc1,VQOOIUSVMMFXEJ,VQOOIUSVMMFXEJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,21H,2-5H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,5,21,4,22,17,6,3,10,18,11,9,19,16,8,7,20,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCCCCCNCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s13;s10s14;s11;d16;s9s17;s7d18;s19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678899;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.210;  9.510,9.36,0.15,0.15,2.0,9.36,0.15
-VQOOIUSVMMFXEJ_on_P28472_WT,Low,ChEMBL30,CHEMBL115736,COc1ccc(-n2nc3c4c(CCCC4)ncc3c2O)cc1,VQOOIUSVMMFXEJ,VQOOIUSVMMFXEJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,21H,2-5H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,5,21,4,22,17,6,3,10,18,11,9,19,16,8,7,20,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCCCCCNCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s13;s10s14;s11;d16;s9s17;s7d18;s19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL821804;CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.510;  9.210,9.36,0.15,0.15,2.0,9.36,0.15
-VQOOIUSVMMFXEJ_on_P34903_WT,Low,ChEMBL30,CHEMBL115736,COc1ccc(-n2nc3c4c(CCCC4)ncc3c2O)cc1,VQOOIUSVMMFXEJ,VQOOIUSVMMFXEJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,21H,2-5H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,5,21,4,22,17,6,3,10,18,11,9,19,16,8,7,20,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCCCCCNCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s13;s10s14;s11;d16;s9s17;s7d18;s19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678899,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  9.210,9.21,0.0,0.0,1.0,9.21,0.0
-VQORXIASXUHNLL_on_P31644_WT,High,ChEMBL30,CHEMBL3681571,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccccn2)no1,VQORXIASXUHNLL,VQORXIASXUHNLL-UHFFFAOYSA-N,"InChI=1S/C20H20N4O4/c1-14-16(19(23-28-14)17-4-2-3-7-21-17)13-27-18-6-5-15(12-22-18)20(25)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,23,24,22,8,7,25,13,17,14,16,18,4,2,9,3,21,6,20,10,26,19,27,12,11,15,5,28/E:(8,9)(10,11)/rA:28CCCCOCCCCCONCCOCCCNCCCCCCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-VQRUUEPBUJFNAP_on_P41594_WT,Low,ChEMBL30,CHEMBL215097,COc1cccc(OCC#Cc2cnccn2)c1,VQRUUEPBUJFNAP,VQRUUEPBUJFNAP-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-17-13-5-2-6-14(10-13)18-9-3-4-12-11-15-7-8-16-12/h2,5-8,10-11H,9H2,1H3","""AuxInfo=1/0/N:1,5,10,11,4,6,15,16,9,18,13,12,3,7,14,17,2,8/rA:18COCCCCCOCCCCCNCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VQUNIUHPBKGZPS_on_P41594_WT,Low,ChEMBL30,CHEMBL418650,NC1(C(=O)O)CC(C(=O)O)N(CC2CCCCC2)C1,VQUNIUHPBKGZPS,VQUNIUHPBKGZPS-UHFFFAOYSA-N,"InChI=1S/C13H22N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h9-10H,1-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;s15;s16;s13s17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-VQUNIUHPBKGZPS_on_Q13255_WT,Low,ChEMBL30,CHEMBL418650,NC1(C(=O)O)CC(C(=O)O)N(CC2CCCCC2)C1,VQUNIUHPBKGZPS,VQUNIUHPBKGZPS-UHFFFAOYSA-N,"InChI=1S/C13H22N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h9-10H,1-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;s15;s16;s13s17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-VQUNIUHPBKGZPS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL418650,NC1(C(=O)O)CC(C(=O)O)N(CC2CCCCC2)C1,VQUNIUHPBKGZPS,VQUNIUHPBKGZPS-UHFFFAOYSA-N,"InChI=1S/C13H22N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h9-10H,1-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;s15;s16;s13s17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.330,4.33,0.0,0.0,1.0,4.33,0.0
-VQUNIUHPBKGZPS_on_Q14832_WT,Low,ChEMBL30,CHEMBL418650,NC1(C(=O)O)CC(C(=O)O)N(CC2CCCCC2)C1,VQUNIUHPBKGZPS,VQUNIUHPBKGZPS-UHFFFAOYSA-N,"InChI=1S/C13H22N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h9-10H,1-8,14H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,6,12,19,13,7,8,3,2,1,11,9,10,4,5/E:(2,3)(4,5)(16,17)(18,19)/rA:19NCCOOCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;s13;s14;s15;s16;s13s17;s2s11;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-VQWLSJSLTOXKEB_on_P41594_WT,High,ChEMBL30,CHEMBL1289112,O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1,VQWLSJSLTOXKEB,VQWLSJSLTOXKEB-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c19-16-1-3-17(4-2-16)21-9-11-22(12-10-21)18(23)14-24-13-15-5-7-20-8-6-15/h1-8H,9-14H2","""AuxInfo=1/0/N:18,21,17,22,7,11,8,10,14,23,13,24,5,3,6,19,16,2,20,9,15,12,1,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24OCCOCCCCNCCNCCNCCCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-VQWUSUUKOYJUGV_on_P18507_WT,Low,ChEMBL30,CHEMBL1079871,C#CCNC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,VQWUSUUKOYJUGV,VQWUSUUKOYJUGV-UHFFFAOYSA-N,"InChI=1S/C16H11FN6O/c1-2-5-18-16(24)14-13-7-23-15(19-8-21-23)11-6-10(17)3-4-12(11)22(13)9-20-14/h1,3-4,6,8-9H,5,7H2,(H,18,24)","""AuxInfo=1/1/N:1,2,18,17,3,21,9,12,23,19,15,16,8,7,14,5,20,4,13,24,11,22,10,6/rA:24CCCNCOCCCNNCNCCCCCCFCNCN/rB:t1;s2;s3;s4;d5;s5;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-VQWUSUUKOYJUGV_on_P28472_WT,Low,ChEMBL30,CHEMBL1079871,C#CCNC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,VQWUSUUKOYJUGV,VQWUSUUKOYJUGV-UHFFFAOYSA-N,"InChI=1S/C16H11FN6O/c1-2-5-18-16(24)14-13-7-23-15(19-8-21-23)11-6-10(17)3-4-12(11)22(13)9-20-14/h1,3-4,6,8-9H,5,7H2,(H,18,24)","""AuxInfo=1/1/N:1,2,18,17,3,21,9,12,23,19,15,16,8,7,14,5,20,4,13,24,11,22,10,6/rA:24CCCNCOCCCNNCNCCCCCCFCNCN/rB:t1;s2;s3;s4;d5;s5;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-VQWUSUUKOYJUGV_on_P31644_WT,Low,ChEMBL30,CHEMBL1079871,C#CCNC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,VQWUSUUKOYJUGV,VQWUSUUKOYJUGV-UHFFFAOYSA-N,"InChI=1S/C16H11FN6O/c1-2-5-18-16(24)14-13-7-23-15(19-8-21-23)11-6-10(17)3-4-12(11)22(13)9-20-14/h1,3-4,6,8-9H,5,7H2,(H,18,24)","""AuxInfo=1/1/N:1,2,18,17,3,21,9,12,23,19,15,16,8,7,14,5,20,4,13,24,11,22,10,6/rA:24CCCNCOCCCNNCNCCCCCCFCNCN/rB:t1;s2;s3;s4;d5;s5;d7;s8;s9;s10;d11;s12;s10d13;s14;d15;s16;d17;s18;s19;s15d19;s8s16;s22;s7d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-VREFGVBLTWBCJP_on_P14867_WT,Medium,ChEMBL30,CHEMBL661,Cc1nnc2CN=C(c3ccccc3)c3c(ccc(Cl)c3)-n12,VREFGVBLTWBCJP,VREFGVBLTWBCJP-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,18,17,21,6,2,9,19,15,16,5,8,20,7,3,4,22/E:(3,4)(5,6)/rA:22CCNNCCNCCCCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s19;s15d19;s2s5s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-VREFGVBLTWBCJP_on_P31644_WT,Medium,ChEMBL30,CHEMBL661,Cc1nnc2CN=C(c3ccccc3)c3c(ccc(Cl)c3)-n12,VREFGVBLTWBCJP,VREFGVBLTWBCJP-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,18,17,21,6,2,9,19,15,16,5,8,20,7,3,4,22/E:(3,4)(5,6)/rA:22CCNNCCNCCCCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s19;s15d19;s2s5s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VREFGVBLTWBCJP_on_P34903_WT,Medium,ChEMBL30,CHEMBL661,Cc1nnc2CN=C(c3ccccc3)c3c(ccc(Cl)c3)-n12,VREFGVBLTWBCJP,VREFGVBLTWBCJP-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,18,17,21,6,2,9,19,15,16,5,8,20,7,3,4,22/E:(3,4)(5,6)/rA:22CCNNCCNCCCCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s19;s15d19;s2s5s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-VREFGVBLTWBCJP_on_P47869_WT,Medium,ChEMBL30,CHEMBL661,Cc1nnc2CN=C(c3ccccc3)c3c(ccc(Cl)c3)-n12,VREFGVBLTWBCJP,VREFGVBLTWBCJP-UHFFFAOYSA-N,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,18,17,21,6,2,9,19,15,16,5,8,20,7,3,4,22/E:(3,4)(5,6)/rA:22CCNNCCNCCCCCCCCCCCCClCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s8;d15;s16;d17;s18;s19;s15d19;s2s5s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-VRGVOWFKLSZRDR_on_Q14416_WT,High,ChEMBL30,CHEMBL1630807,COc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1,VRGVOWFKLSZRDR,VRGVOWFKLSZRDR-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,20,19,21,18,5,23,4,24,11,6,3,16,12,17,13,8,10,7,14,9,15,2,22/E:(6,7)(8,9)/rA:24COCCCCNCOCCCCNOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1632948;CHEMBL1632947,PMID:21105727,2010.0,PMID:21105727,2010,1;0,0,0,0;1,0,,=,  6.000;  6.100,6.05,0.05,0.05,2.0,6.05,0.05
-VRGVOWFKLSZRDR_on_Q14832_WT,High,ChEMBL30,CHEMBL1630807,COc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1,VRGVOWFKLSZRDR,VRGVOWFKLSZRDR-UHFFFAOYSA-N,"InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,20,19,21,18,5,23,4,24,11,6,3,16,12,17,13,8,10,7,14,9,15,2,22/E:(6,7)(8,9)/rA:24COCCCCNCOCCCCNOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1632951,PMID:21105727,2010.0,PMID:21105727,2010,0,1,0,0,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-VRJREUCZKVNRFD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628096,CCc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1,VRJREUCZKVNRFD,VRJREUCZKVNRFD-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-2-13-8-10-18(28-13)19(25)23-12-7-9-17(16(22)11-12)24-20(26)14-5-3-4-6-15(14)21(24)27/h3-11H,2H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,2,20,21,19,22,11,4,12,5,27,10,3,18,17,25,13,6,7,23,15,26,9,14,8,24,16,28/E:(3,4)(5,6)(14,15)(20,21)(26,27)/rA:28CCCCCCCONCCCCNCOCCCCCCCOCClCO/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-VRKJKLFCJIMVNL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3936247,COc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cc(C)n1,VRKJKLFCJIMVNL,VRKJKLFCJIMVNL-UHFFFAOYSA-N,"InChI=1S/C22H20FN5O2/c1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23/h4-6,8-11H,7H2,1-3H3,(H2,24,29)","""AuxInfo=1/1/N:29,15,1,8,9,27,6,4,18,17,13,28,5,7,12,10,11,19,3,25,24,20,26,21,16,30,23,14,22,2/rA:30COCCCCCCCCCCCNCNCCCCNONCCFCCCN/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;s14;s14;s12d16;d11;s18;s19;s20;d20;d19;s10s23;s7d24;s25;d5;s27;s28;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-VRLHOPLBQZRORF_on_Q05586_WT,Low,ChEMBL30,CHEMBL63146,O=[N+]([O-])c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,VRLHOPLBQZRORF,VRLHOPLBQZRORF-UHFFFAOYSA-N,"InChI=1S/C20H15N3O3/c24-23(25)15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)26-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,21,22)","""AuxInfo=1/1/N:21,20,22,19,23,14,25,9,15,24,8,12,5,13,4,18,16,7,6,11,10,26,2,1,3,17/E:(2,3)(4,5)(6,7)(9,10)(24,25)/CRV:23.5/rA:26ON+O-CCCCCCNCCCCCCOCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  5.180;  5.270,5.225,0.045,0.045,2.0,5.225,0.045
-VRLHOPLBQZRORF_on_Q13224_WT,Low,ChEMBL30,CHEMBL63146,O=[N+]([O-])c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,VRLHOPLBQZRORF,VRLHOPLBQZRORF-UHFFFAOYSA-N,"InChI=1S/C20H15N3O3/c24-23(25)15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)26-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,21,22)","""AuxInfo=1/1/N:21,20,22,19,23,14,25,9,15,24,8,12,5,13,4,18,16,7,6,11,10,26,2,1,3,17/E:(2,3)(4,5)(6,7)(9,10)(24,25)/CRV:23.5/rA:26ON+O-CCCCCCNCCCCCCOCCCCCCCCN/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;s6d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  5.270;  5.180,5.225,0.045,0.045,2.0,5.225,0.045
-VRNFEVMRDQNBHD_on_P41594_WT,Low,ChEMBL30,CHEMBL245990,Cc1nc2c(cnn2-c2ccc(S(N)(=O)=O)cc2)c(=O)n1-c1ccc(Cl)cc1,VRNFEVMRDQNBHD,VRNFEVMRDQNBHD-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)","""AuxInfo=1/1/N:1,24,27,23,28,10,18,11,17,6,2,25,22,9,12,5,4,19,26,14,7,3,21,8,20,15,16,13/E:(2,3)(4,5)(6,7)(8,9)(26,27)/CRV:28.6/rA:28CCNCCCNNCCCCSNOOCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s13;d13;d13;s12;s9d17;s5;d19;s2s19;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VRNFEVMRDQNBHD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL245990;44442431,Cc1nc2c(cnn2-c2ccc(S(N)(=O)=O)cc2)c(=O)n1-c1ccc(Cl)cc1,VRNFEVMRDQNBHD,VRNFEVMRDQNBHD-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)","""AuxInfo=1/1/N:1,24,27,23,28,10,18,11,17,6,2,25,22,9,12,5,4,19,26,14,7,3,21,8,20,15,16,13/E:(2,3)(4,5)(6,7)(8,9)(26,27)/CRV:28.6/rA:28CCNCCCNNCCCCSNOOCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s13;d13;d13;s12;s9d17;s5;d19;s2s19;s21;d22;s23;d24;s25;s25;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251;PubChemAID:308215,PMID:17532216,2007.0,PMID:17532216;PubChemAID:308215,2007;2010,1;0,0,0,0,0;1,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-VRRRZGZBXPKITI_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403692;71713021,COC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1,VRRRZGZBXPKITI,VRRRZGZBXPKITI-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2S/c1-24-16-11-15(12-16)20(23)22-10-9-17-18(13-22)25-19(21-17)8-7-14-5-3-2-4-6-14/h2-6,15-16H,9-13H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,23,17,16,10,9,4,25,13,18,5,3,11,12,15,6,24,8,7,2,14/E:(3,4)(5,6)(11,12)/rA:25COCCCCONCCCCCSCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;s3s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  6.190;  6.194,6.192,0.002,0.002,2.0,6.192,0.002
-VRTFKUFTEWQHDD_on_P41594_WT,Medium,ChEMBL30,CHEMBL118498,COc1cc(C#Cc2ccccn2)cnc1,VRTFKUFTEWQHDD,VRTFKUFTEWQHDD-UHFFFAOYSA-N,"InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,10,11,9,6,7,12,4,14,16,5,8,3,15,13,2/rA:16COCCCCCCCCCCNCNC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;s8d12;d5;s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715728,PMID:12565928,2003.0,PMID:12565928,2003,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-VRVKFNJWMRDCFU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3915011,CCN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)C2CCCCC21,VRVKFNJWMRDCFU,VRVKFNJWMRDCFU-UHFFFAOYSA-N,"InChI=1S/C21H22N4O/c1-2-24-18-7-3-4-8-19(18)25(21(24)26)20-12-11-17(15-23-20)10-9-16-6-5-13-22-14-16/h5-6,11-15,18-19H,2-4,7-8H2,1H3","""AuxInfo=1/0/N:1,2,24,23,15,14,25,22,12,11,9,8,16,18,19,13,10,26,21,7,4,17,20,3,6,5/rA:26CCNCONCCCCCCCCCCNCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;s21;s22;s23;s24;s3s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-VRYXUAPULQXCIC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72546754;CHEMBL3087212,COC(=O)N1CCCCC12CCCC(O)(C#Cc1cccc(C)c1)C2,VRYXUAPULQXCIC,VRYXUAPULQXCIC-UHFFFAOYSA-N,"InChI=1S/C21H27NO3/c1-17-7-5-8-18(15-17)9-13-21(24)12-6-11-20(16-21)10-3-4-14-22(20)19(23)25-2/h5,7-8,15,24H,3-4,6,10-12,14,16H2,1-2H3","""AuxInfo=1/0/N:23,1,8,7,20,12,21,19,17,9,11,13,16,6,24,25,22,18,3,10,14,5,4,15,2/rA:25COCONCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s14;s14;t16;s17;d18;s19;d20;s21;s22;s18d22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  7.064;  7.060,7.062,0.002,0.002,2.0,7.062,0.002
-VRZDSHWONUJHHO_on_P41594_WT,Low,ChEMBL30,CHEMBL3597601,CC1(C)CN(c2ccc(C#CC=C3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2)C1=O,VRZDSHWONUJHHO,VRZDSHWONUJHHO-UHFFFAOYSA-N,"InChI=1S/C24H24N4O3/c1-24(2)17-27(23(24)29)20-10-8-18(9-11-20)5-3-6-19-12-15-26(16-13-19)22-21(28(30)31)7-4-14-25-22/h4,6-11,14H,12-13,15-17H2,1-2H3","""AuxInfo=1/0/N:1,3,11,20,10,12,21,8,28,7,29,14,27,19,15,26,4,9,13,6,22,17,30,2,18,16,5,23,31,24,25/E:(1,2)(8,9)(10,11)(12,13)(15,16)(30,31)/CRV:28.5/rA:31CCCCNCCCCCCCCCCNCNCCCCN+OO-CCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;w?12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;d23;s23;s16;s13s26;s9;s6d28;s2s5;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-VRZZJZNRDAOZGS_on_P41594_WT,High,ChEMBL30,CHEMBL594081,CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1,VRZZJZNRDAOZGS,VRZZJZNRDAOZGS-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O/c1-13-4-2-3-11-22(13)18(23)14-5-10-17(20-12-14)21-16-8-6-15(19)7-9-16/h5-10,12-13H,2-4,11H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,4,5,3,11,17,20,16,21,12,6,23,2,10,18,15,13,8,19,22,14,7,9/E:(6,7)(8,9)/rA:23CCCCCCNCOCCCCNCCCCClCCNC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s13;s10d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-VSAFFGKSTDLYTJ_on_P41594_WT,High,ChEMBL30,CHEMBL387873,Cc1nc(C#Cc2ccc(Oc3ccccc3)cc2)nnc1,VSAFFGKSTDLYTJ,VSAFFGKSTDLYTJ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-14-13-19-21-18(20-14)12-9-15-7-10-17(11-8-15)22-16-5-3-2-4-6-16/h2-8,10-11,13H,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,8,19,6,9,18,5,22,2,7,12,10,4,21,3,20,11/E:(3,4)(5,6)(7,8)(10,11)/rA:22CCNCCCCCCCOCCCCCCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-VSAFLTQPWBLZMR_on_P31644_WT,High,ChEMBL30,CHEMBL3676544,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2cccc(F)c2)no1,VSAFLTQPWBLZMR,VSAFLTQPWBLZMR-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3S/c1-14-18(20(24-28-14)15-3-2-4-17(22)11-15)13-27-19-6-5-16(12-23-19)21(26)25-7-9-29-10-8-25/h2-6,11-12H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,23,22,24,8,7,13,17,14,16,27,18,4,2,21,9,25,3,6,20,10,26,19,28,12,11,5,29,15/E:(7,8)(9,10)/rA:29CCCCOCCCCCONCCSCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s25;s21d25;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-VSFGQRFAAFEAOX_on_Q13255_WT,High,ChEMBL30,CHEMBL3422886,Cc1cc(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)ccc1,VSFGQRFAAFEAOX,VSFGQRFAAFEAOX-UHFFFAOYSA-N,"InChI=1S/C23H21N3OS/c1-16-6-5-9-18(12-16)23(27)26-11-10-19-20(13-24)22(28-21(19)15-26)25-14-17-7-3-2-4-8-17/h2-9,12,25H,10-11,14-15H2,1H3","""AuxInfo=1/0/N:1,20,19,21,27,28,18,22,26,9,8,3,24,16,12,2,17,4,10,23,11,14,5,25,15,7,6,13/E:(3,4)(7,8)/rA:28CCCCCONCCCCCSCNCCCCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;s23;t24;d4;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-VSHSCDYXZNJFAF_on_P18507_WT,Low,ChEMBL30,CHEMBL565341,CCOC(=O)c1c2Cc3c(nc(Cc4ccc(OC)cc4)nc3)-c3c(cccc3)-n2cn1,VSHSCDYXZNJFAF,VSHSCDYXZNJFAF-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-3-32-25(30)24-21-13-17-14-26-22(12-16-8-10-18(31-2)11-9-16)28-23(17)19-6-4-5-7-20(19)29(21)15-27-24/h4-11,14-15H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,19,2,28,27,29,26,15,21,16,20,13,8,23,31,14,9,17,24,25,7,12,10,6,4,22,32,11,30,5,18,3/E:(8,9)(10,11)/rA:32CCOCOCCCCCNCCCCCCOCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s12;s9d22;s10;d24;s25;d26;s27;s24d28;s7s25;s30;s6d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-VSHSCDYXZNJFAF_on_P28472_WT,Low,ChEMBL30,CHEMBL565341,CCOC(=O)c1c2Cc3c(nc(Cc4ccc(OC)cc4)nc3)-c3c(cccc3)-n2cn1,VSHSCDYXZNJFAF,VSHSCDYXZNJFAF-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-3-32-25(30)24-21-13-17-14-26-22(12-16-8-10-18(31-2)11-9-16)28-23(17)19-6-4-5-7-20(19)29(21)15-27-24/h4-11,14-15H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,19,2,28,27,29,26,15,21,16,20,13,8,23,31,14,9,17,24,25,7,12,10,6,4,22,32,11,30,5,18,3/E:(8,9)(10,11)/rA:32CCOCOCCCCCNCCCCCCOCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s12;s9d22;s10;d24;s25;d26;s27;s24d28;s7s25;s30;s6d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-VSHSCDYXZNJFAF_on_P31644_WT,Low,ChEMBL30,CHEMBL565341,CCOC(=O)c1c2Cc3c(nc(Cc4ccc(OC)cc4)nc3)-c3c(cccc3)-n2cn1,VSHSCDYXZNJFAF,VSHSCDYXZNJFAF-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-3-32-25(30)24-21-13-17-14-26-22(12-16-8-10-18(31-2)11-9-16)28-23(17)19-6-4-5-7-20(19)29(21)15-27-24/h4-11,14-15H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,19,2,28,27,29,26,15,21,16,20,13,8,23,31,14,9,17,24,25,7,12,10,6,4,22,32,11,30,5,18,3/E:(8,9)(10,11)/rA:32CCOCOCCCCCNCCCCCCOCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s12;s9d22;s10;d24;s25;d26;s27;s24d28;s7s25;s30;s6d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-VSLWUPHHCFQTDB_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2204445;CHEMBL2204442;CHEMBL2204442;CHEMBL2204446;CHEMBL2204445;CHEMBL2204446;CHEMBL2204445,COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1,VSLWUPHHCFQTDB,VSLWUPHHCFQTDB-UHFFFAOYSA-N,"InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3","""AuxInfo=1/0/N:1,17,18,8,7,10,24,5,25,11,23,4,26,16,22,20,9,6,19,12,3,13,15,21,14,2/E:(6,7)(8,9)(10,11)(12,13)/rA:26COCCCCCCCCCCCONCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s15s19;s12;s9d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655;CHEMBL2213655;CHEMBL2213655;CHEMBL2213655;CHEMBL2213660;CHEMBL2213655;CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,=,  5.830;  5.680;  5.690;  5.260;  6.180;  5.490;  5.820,5.707000000000001,0.267,0.109,7.0,5.69,0.14
-VSMLXCOYNZCZCB_on_P18507_WT,Low,ChEMBL30,CHEMBL235406,CCCc1c(CCC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,VSMLXCOYNZCZCB,VSMLXCOYNZCZCB-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,3,6,13,19,14,11,20,4,5,10,15,12,21,16,17,18,23,22,9/E:(7,8)(10,11)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s7;s5;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-VSMLXCOYNZCZCB_on_P28472_WT,High,ChEMBL30,CHEMBL235406,CCCc1c(CCC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,VSMLXCOYNZCZCB,VSMLXCOYNZCZCB-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,3,6,13,19,14,11,20,4,5,10,15,12,21,16,17,18,23,22,9/E:(7,8)(10,11)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s7;s5;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-VSMLXCOYNZCZCB_on_P47869_WT,Low,ChEMBL30,CHEMBL235406,CCCc1c(CCC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,VSMLXCOYNZCZCB,VSMLXCOYNZCZCB-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,3,6,13,19,14,11,20,4,5,10,15,12,21,16,17,18,23,22,9/E:(7,8)(10,11)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s7;s5;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-VSMLXCOYNZCZCB_on_P47870_WT,Low,ChEMBL30,CHEMBL235406,CCCc1c(CCC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,VSMLXCOYNZCZCB,VSMLXCOYNZCZCB-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3","""AuxInfo=1/0/N:1,8,2,7,3,6,13,19,14,11,20,4,5,10,15,12,21,16,17,18,23,22,9/E:(7,8)(10,11)(16,17)(18,19,20)/rA:23CCCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s7;s5;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-VSMUYYFJVFSVCA_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL578988;888023;CHEMBL578988,O=C(O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,VSMUYYFJVFSVCA,VSMUYYFJVFSVCA-UHFFFAOYSA-N,"InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:7,6,8,5,17,14,20,15,18,13,9,4,10,2,16,19,12,11,1,3/E:(6,7)(8,9)(15,16)(19,20)/rA:20OCOCCCCCCCONCCCClCCClC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:447669;CHEMBL1044679,PMID:19640716,2009.0,PMID:21688779;PubChemAID:447669;PMID:19640716,2011;2010;2009,0,1;0;1,0,0,0;1;0,,=,  6.120;  6.131;  6.130,6.127000000000001,0.005,0.004,3.0,6.13,0.001
-VSMZMGWIFUANEM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3920561,CC1(C)CCN(c2cnc(C#Cc3cccnc3)cn2)C(=O)C1,VSMZMGWIFUANEM,VSMZMGWIFUANEM-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-18(2)7-9-22(17(23)10-18)16-13-20-15(12-21-16)6-5-14-4-3-8-19-11-14/h3-4,8,11-13H,7,9-10H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,12,11,4,16,5,23,18,19,8,13,10,7,21,2,17,9,20,6,22/E:(1,2)/rA:23CCCCCNCCNCCCCCCCNCCNCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-VSOCOTWHUMRARV_on_Q14833_WT,High,ChEMBL30,CHEMBL4092850,Cc1nccc(CCCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)c1,VSOCOTWHUMRARV,VSOCOTWHUMRARV-UHFFFAOYSA-N,"InChI=1S/C25H22N4O3/c1-17-12-18(8-9-26-17)4-3-11-31-20-6-7-24-21(14-20)22(28-30)15-25(32-24)23-13-19-5-2-10-29(19)16-27-23/h2,5-10,12-16,30H,3-4,11H2,1H3","""AuxInfo=1/0/N:1,21,8,7,20,12,13,5,4,22,9,32,18,31,26,24,2,6,19,11,30,27,17,14,16,3,25,28,23,29,10,15/rA:32CCNCCCCCCOCCCCOCCCCCCCNCNCCNOCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;d21;s19s22;s23;s17d24;d16;s26;w?27;s28;s14s27;s11d30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VSOQBHWUZFWURG_on_P41594_WT,High,ChEMBL30,CHEMBL226832,Cc1nc(C#Cc2ccc(F)c(C)c2)nnc1,VSOQBHWUZFWURG,VSOQBHWUZFWURG-UHFFFAOYSA-N,"InChI=1S/C13H10FN3/c1-9-7-11(3-5-12(9)14)4-6-13-16-10(2)8-15-17-13/h3,5,7-8H,1-2H3","""AuxInfo=1/0/N:13,1,8,6,9,5,14,17,12,2,7,10,4,11,16,3,15/rA:17CCNCCCCCCCFCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s12;s7d12;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-VSSRALNHWPBCRX_on_Q13224_WT,High,ChEMBL30,CHEMBL218478,Cc1ccc(CC(=O)N2CCC(CCNc3ncccn3)CC2)cc1,VSSRALNHWPBCRX,VSSRALNHWPBCRX-UHFFFAOYSA-N,"InChI=1S/C20H26N4O/c1-16-3-5-18(6-4-16)15-19(25)24-13-8-17(9-14-24)7-12-23-20-21-10-2-11-22-20/h2-6,10-11,17H,7-9,12-15H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,19,3,25,4,24,13,11,22,18,20,14,10,23,6,2,12,5,7,16,17,21,15,9,8/E:(3,4)(5,6)(8,9)(10,11)(13,14)(21,22)/rA:25CCCCCCCONCCCCCNCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s12;s9s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856830,PMID:17249648,2007.0,PMID:17249648,2007,0,0,0,1,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-VSVKLTLXHHNTOE_on_P14867_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.390;  6.390,6.39,0.0,0.0,2.0,6.39,0.0
-VSVKLTLXHHNTOE_on_P18507_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL824296;CHEMBL823916;CHEMBL683045;CHEMBL683047;CHEMBL681480;CHEMBL685338;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648,2000;2000;2000;1998;1998;2000;1998;2000;1998;1998,0,0,0,1,0,,=,  5.950;  5.820;  6.390;  5.820;  5.950;  5.440;  5.440;  6.740;  6.740;  6.390,6.068,0.45299999999999996,0.151,10.0,5.95,0.44
-VSVKLTLXHHNTOE_on_P28472_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL678329;CHEMBL685338;CHEMBL681480;CHEMBL822165;CHEMBL683045;CHEMBL823916;CHEMBL681248;CHEMBL824296;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039,1998;2000;1998;2000;1998;2000;1998;2000;1998;2000,0,0,0,1,0,,=,  5.440;  6.390;  6.740;  6.740;  6.390;  5.440;  5.950;  5.820;  5.820;  5.950,6.068,0.45299999999999996,0.151,10.0,5.95,0.44
-VSVKLTLXHHNTOE_on_P31644_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.740;  6.740,6.74,0.0,0.0,2.0,6.74,0.0
-VSVKLTLXHHNTOE_on_P34903_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.950;  5.950,5.95,0.0,0.0,2.0,5.95,0.0
-VSVKLTLXHHNTOE_on_P47869_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.820;  5.820,5.82,0.0,0.0,2.0,5.82,0.0
-VSVKLTLXHHNTOE_on_Q16445_WT,Low,ChEMBL30,CHEMBL43718,CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,VSVKLTLXHHNTOE,VSVKLTLXHHNTOE-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3","""AuxInfo=1/0/N:1,7,2,13,12,16,5,18,14,10,3,11,4,8,15,19,6,17,9/rA:19CCCCCNCCOCCCCCClCNCN/rB:s1;s2;d3;s4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s4s11;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.440;  5.440,5.44,0.0,0.0,2.0,5.44,0.0
-VSVSOYLJDWHVLX_on_P14867_WT,Low,ChEMBL30,CHEMBL1091649,On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1,VSVSOYLJDWHVLX,VSVSOYLJDWHVLX-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-13-18(16-7-9-20-10-8-16)19(21-22)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:18,19,17,20,14,15,6,10,7,9,22,12,3,13,16,5,21,4,11,8,23,2,1/E:(7,8)(9,10)/rA:23ONCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;d17;s18;d19;s16s20;s13d21;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.770;  6.780,6.775,0.005,0.005,2.0,6.775,0.005
-VSVSOYLJDWHVLX_on_P18507_WT,Low,ChEMBL30,CHEMBL1091649,On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1,VSVSOYLJDWHVLX,VSVSOYLJDWHVLX-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-13-18(16-7-9-20-10-8-16)19(21-22)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:18,19,17,20,14,15,6,10,7,9,22,12,3,13,16,5,21,4,11,8,23,2,1/E:(7,8)(9,10)/rA:23ONCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;d17;s18;d19;s16s20;s13d21;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.770;  6.780,6.775,0.005,0.005,2.0,6.775,0.005
-VSVSOYLJDWHVLX_on_P47870_WT,Low,ChEMBL30,CHEMBL1091649,On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1,VSVSOYLJDWHVLX,VSVSOYLJDWHVLX-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c23-22-13-18(16-7-9-20-10-8-16)19(21-22)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2","""AuxInfo=1/0/N:18,19,17,20,14,15,6,10,7,9,22,12,3,13,16,5,21,4,11,8,23,2,1/E:(7,8)(9,10)/rA:23ONCCCCCNCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;d17;s18;d19;s16s20;s13d21;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  6.770;  6.780,6.775,0.005,0.005,2.0,6.775,0.005
-VSVXANNIGPUQAD_on_Q14416_WT,High,ChEMBL30,CHEMBL1094762;CHEMBL1094762;CHEMBL1095385,CCCCCCC1CN(c2ccccc2)C(=O)O1,VSVXANNIGPUQAD,VSVXANNIGPUQAD-UHFFFAOYSA-N,"InChI=1S/C15H21NO2/c1-2-3-4-8-11-14-12-16(15(17)18-14)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3","""AuxInfo=1/0/N:1,2,3,4,13,12,14,5,11,15,6,8,10,7,16,9,17,18/E:(6,7)(9,10)/rA:18CCCCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;d16;s7s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121284;CHEMBL1121265;CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  4.860;  6.350;  6.230,5.813,0.6759999999999999,0.478,3.0,6.23,0.12
-VSYJYCNBDBKFNN_on_P41594_WT,Low,ChEMBL30,CHEMBL3983739,N#Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F,VSYJYCNBDBKFNN,VSYJYCNBDBKFNN-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O2/c22-20-10-15(6-7-16(20)12-23)21(27)25-8-9-26-18(13-25)11-17(24-26)14-28-19-4-2-1-3-5-19/h1-7,10-11H,8-9,13-14H2","""AuxInfo=1/0/N:20,19,21,18,22,5,4,10,11,26,23,2,25,15,6,3,14,24,17,27,7,28,1,13,9,12,8,16/E:(2,3)(4,5)/rA:28NCCCCCCONCCNNCCOCCCCCCCCCCCF/rB:t1;s2;d3;s4;d5;s6;d7;s7;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s12d23;s9s24;s6;s3d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-VSZGTFORDITXDC_on_P41594_WT,Low,ChEMBL30,CHEMBL1783870,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,VSZGTFORDITXDC,VSZGTFORDITXDC-UHFFFAOYSA-N,"InChI=1S/C19H15BrN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,22,9,5,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VSZGTFORDITXDC_on_Q13255_WT,High,ChEMBL30,CHEMBL1783870,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,VSZGTFORDITXDC,VSZGTFORDITXDC-UHFFFAOYSA-N,"InChI=1S/C19H15BrN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,11,10,4,16,2,21,18,6,7,14,13,8,25,22,9,5,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCCSCCNCNCCCCBrCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-VSZZYAJBIGSJJF_on_P14867_WT,Low,ChEMBL30,CHEMBL380730,CC(C)(O)c1nc2ncc(-c3cc(-c4ncncc4C#N)c(F)cc3)n2nc1,VSZZYAJBIGSJJF,VSZZYAJBIGSJJF-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,20,18,9,28,16,11,19,13,22,10,5,14,7,2,23,21,17,8,15,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.170,9.17,0.0,0.0,1.0,9.17,0.0
-VSZZYAJBIGSJJF_on_P18507_WT,Low,ChEMBL30,CHEMBL380730,CC(C)(O)c1nc2ncc(-c3cc(-c4ncncc4C#N)c(F)cc3)n2nc1,VSZZYAJBIGSJJF,VSZZYAJBIGSJJF-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,20,18,9,28,16,11,19,13,22,10,5,14,7,2,23,21,17,8,15,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863774;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.480;  9.170,8.825,0.345,0.345,2.0,8.825,0.345
-VSZZYAJBIGSJJF_on_P28472_WT,Low,ChEMBL30,CHEMBL380730,CC(C)(O)c1nc2ncc(-c3cc(-c4ncncc4C#N)c(F)cc3)n2nc1,VSZZYAJBIGSJJF,VSZZYAJBIGSJJF-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,20,18,9,28,16,11,19,13,22,10,5,14,7,2,23,21,17,8,15,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863774;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.480;  9.170,8.825,0.345,0.345,2.0,8.825,0.345
-VSZZYAJBIGSJJF_on_P34903_WT,Low,ChEMBL30,CHEMBL380730,CC(C)(O)c1nc2ncc(-c3cc(-c4ncncc4C#N)c(F)cc3)n2nc1,VSZZYAJBIGSJJF,VSZZYAJBIGSJJF-UHFFFAOYSA-N,"InChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,12,20,18,9,28,16,11,19,13,22,10,5,14,7,2,23,21,17,8,15,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCNCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.480,8.48,0.0,0.0,1.0,8.48,0.0
-VTAARTQTOOYTES_on_O00222_WT,High,ChEMBL30,CHEMBL8759,NC1(C(=O)O)CCC2C(C(=O)O)C21,VTAARTQTOOYTES,VTAARTQTOOYTES-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,6,8,9,13,10,3,2,1,11,12,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL912291,PMID:10090786,1999.0,PMID:17228865,2007,0,1,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-VTAARTQTOOYTES_on_O15303_WT,High,ChEMBL30,CHEMBL8759,NC1(C(=O)O)CCC2C(C(=O)O)C21,VTAARTQTOOYTES,VTAARTQTOOYTES-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,6,8,9,13,10,3,2,1,11,12,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382646,PMID:10090786,1999.0,PMID:23675965,2013,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-VTAARTQTOOYTES_on_Q14416_WT,High,ChEMBL30,CHEMBL8759,NC1(C(=O)O)CCC2C(C(=O)O)C21,VTAARTQTOOYTES,VTAARTQTOOYTES-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,6,8,9,13,10,3,2,1,11,12,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2383346;CHEMBL910519;CHEMBL910533;CHEMBL838847;CHEMBL833280;CHEMBL3619407;CHEMBL4719943;CHEMBL4023217;CHEMBL4023220,PMID:9572889,1998.0,PMID:23675965;PMID:17228865;PMID:17228865;PMID:16078848;PMID:15887967;PMID:26313429;PMID:28002967;PMID:29350927;PMID:29350927,2013;2007;2007;2005;2005;2015;2016;2018;2018,1;0;0;0;0;0;1;0;0,0;0;1;0;1;1;0;0;1,0,0;1;0;1;0;0;0;1;0,0,,=,  8.250;  7.130;  7.960;  7.070;  8.000;  7.460;  8.150;  7.140;  8.150,7.7010000000000005,0.466,0.165,9.0,7.96,0.29
-VTAARTQTOOYTES_on_Q14832_WT,High,ChEMBL30,CHEMBL8759,NC1(C(=O)O)CCC2C(C(=O)O)C21,VTAARTQTOOYTES,VTAARTQTOOYTES-UHFFFAOYSA-N,"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)","""AuxInfo=1/1/N:7,6,8,9,13,10,3,2,1,11,12,4,5/E:(10,11)(12,13)/rA:13NCCOOCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4719944;CHEMBL838848;CHEMBL3619414;CHEMBL4023224;CHEMBL910532;CHEMBL907027,PMID:9572889,1998.0,PMID:29350927;PMID:28002967;PMID:16078848;PMID:26313429;PMID:29350927;PMID:17228865;PMID:17228865,2018;2016;2005;2015;2018;2007;2007,0;1;0;0;0;0;0,0;0;0;1;1;0;1,0,1;0;1;0;0;1;0,0,,=,  6.970;  7.550;  6.900;  6.850;  7.550;  7.030;  7.420,7.181,0.289,0.11800000000000001,7.0,7.03,0.18
-VTJUZMJXUPHWSJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3785114,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3)nccc4)cc2)occ1,VTJUZMJXUPHWSJ,VTJUZMJXUPHWSJ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-6-8-25-18(12)19(24)22-14-4-5-17(15(20)9-14)23-10-13-3-2-7-21-16(13)11-23/h2-9H,10-11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,20,22,21,25,18,24,8,13,16,2,14,7,9,15,11,3,4,10,17,6,12,5,23/rA:25CCCCONCCCClCNCCCCNCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s12s15;s15;d17;s18;s14d19;s11;s7d21;s3;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.020;  5.020,5.02,0.0,0.0,2.0,5.02,0.0
-VTJXVUYJMWDVSF_on_P41594_WT,High,ChEMBL30,CHEMBL3702465,COCc1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1,VTJXVUYJMWDVSF,VTJXVUYJMWDVSF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-21-16(6-7-26(18)20(27)9-23-19)15(13-2-3-13)4-5-17(21)22/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3","""AuxInfo=1/0/N:1,25,26,22,21,14,13,18,9,5,3,27,24,4,23,15,19,17,7,10,16,20,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s12s16;s7w?17;s16;s19;d19;s21;s15d22;s23;s24;s24s25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-VTJXVUYJMWDVSF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702465,COCc1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1,VTJXVUYJMWDVSF,VTJXVUYJMWDVSF-UHFFFAOYSA-N,"InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-21-16(6-7-26(18)20(27)9-23-19)15(13-2-3-13)4-5-17(21)22/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3","""AuxInfo=1/0/N:1,25,26,22,21,14,13,18,9,5,3,27,24,4,23,15,19,17,7,10,16,20,8,28,6,12,11,2/E:(2,3)/rA:28COCCCNCNCCONCCCCCCCFCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s12s16;s7w?17;s16;s19;d19;s21;s15d22;s23;s24;s24s25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-VTMJKPGFERYGJF_on_P41594_WT,Low,ChEMBL30,CHEMBL94990,NC(C(=O)O)c1ccc(C(=O)O)cc1,VTMJKPGFERYGJF,VTMJKPGFERYGJF-UHFFFAOYSA-N,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:7,14,8,13,6,9,2,10,3,1,11,12,4,5/E:(1,2)(3,4)(11,12)(13,14)/rA:14NCCOOCCCCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s9;s6d13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL819436,DOI:10.1016/S0960-894X(97)10071-3,1997.0,DOI:10.1016/S0960-894X(97)10071-3,1997,1,0,0,0,0,,=,  3.810,3.81,0.0,0.0,1.0,3.81,0.0
-VTMJKPGFERYGJF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL94990;CHEMBL94990;CHEMBL94990;CHEMBL328984;CHEMBL94990,NC(C(=O)O)c1ccc(C(=O)O)cc1,VTMJKPGFERYGJF,VTMJKPGFERYGJF-UHFFFAOYSA-N,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:7,14,8,13,6,9,2,10,3,1,11,12,4,5/E:(1,2)(3,4)(11,12)(13,14)/rA:14NCCOOCCCCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s9;s6d13;/rC:;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL822315;CHEMBL945120;CHEMBL717922;CHEMBL820023;CHEMBL719076,PMID:7562903,1995.0,DOI:10.1016/S0960-894X(97)10071-3;PMID:17489573;PMID:8831765;PMID:7562903;PMID:10893301,1997;2007;1996;1995;2000,1;1;1;1;0,0,0,0;0;0;0;1,0,,=,  4.240;  5.000;  4.190;  4.190;  4.080,4.34,0.33399999999999996,0.16699999999999998,5.0,4.19,0.05
-VTMJKPGFERYGJF_on_Q14416_WT,Low,ChEMBL30,CHEMBL94990;CHEMBL328984,NC(C(=O)O)c1ccc(C(=O)O)cc1,VTMJKPGFERYGJF,VTMJKPGFERYGJF-UHFFFAOYSA-N,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:7,14,8,13,6,9,2,10,3,1,11,12,4,5/E:(1,2)(3,4)(11,12)(13,14)/rA:14NCCOOCCCCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s9;s6d13;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215;CHEMBL818772,PMID:7562903,1995.0,PMID:10893301;PMID:7562903,2000;1995,0;1,0,0,1;0,0,,=,  3.239;  3.239,3.239,0.0,0.0,2.0,3.239,0.0
-VTMJKPGFERYGJF_on_Q14833_WT,Low,ChEMBL30,CHEMBL94990,NC(C(=O)O)c1ccc(C(=O)O)cc1,VTMJKPGFERYGJF,VTMJKPGFERYGJF-UHFFFAOYSA-N,"InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:7,14,8,13,6,9,2,10,3,1,11,12,4,5/E:(1,2)(3,4)(11,12)(13,14)/rA:14NCCOOCCCCCOOCC/rB:s1;s2;d3;s3;s2;d6;s7;d8;s9;d10;s10;s9;s6d13;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL714668,PMID:12109902,2002.0,PMID:12109902,2002,0,0,0,1,0,,=,  3.077,3.077,0.0,0.0,1.0,3.077,0.0
-VTMJLFSAQVGRBC_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,16109400;CHEMBL218460,O=C(NCc1ccccc1)N1CCC(CNc2ncccn2)CC1,VTMJLFSAQVGRBC,VTMJLFSAQVGRBC-UHFFFAOYSA-N,"InChI=1S/C18H23N5O/c24-18(22-14-15-5-2-1-3-6-15)23-11-7-16(8-12-23)13-21-17-19-9-4-10-20-17/h1-6,9-10,16H,7-8,11-14H2,(H,22,24)(H,19,20,21)","""AuxInfo=1/1/N:8,7,9,20,6,10,13,23,19,21,12,24,15,4,5,14,17,2,18,22,16,3,11,1/E:(2,3)(5,6)(7,8)(9,10)(11,12)(19,20)/rA:24OCNCCCCCCCNCCCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  5.932;  5.930,5.931,0.001,0.001,2.0,5.931,0.001
-VTNQFOWREHQZPP_on_Q13255_WT,High,ChEMBL30,CHEMBL3330800,O=c1c2c(ncn1-c1ccccc1)c(-c1ccccc1)cs2,VTNQFOWREHQZPP,VTNQFOWREHQZPP-UHFFFAOYSA-N,InChI=1S/C18H12N2OS/c21-18-17-16(15(11-22-17)13-7-3-1-4-8-13)19-12-20(18)14-9-5-2-6-10-14/h1-12H,"""AuxInfo=1/0/N:18,11,17,19,10,12,16,20,9,13,21,6,15,8,14,4,3,2,5,7,1,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22OCCCNCNCCCCCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s8d12;s4;s14;d15;s16;d17;s18;s15d19;d14;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-VTODOCUPFWEJSA_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11950744;CHEMBL365440,CCCc1c2CCN(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,VTODOCUPFWEJSA,VTODOCUPFWEJSA-UHFFFAOYSA-N,"InChI=1S/C27H37N5O2/c1-5-8-23-22-15-16-32(19-27(2,3)4)24(22)13-14-25(23)34-18-7-6-17-33-21-11-9-20(10-12-21)26-28-30-31-29-26/h9-14H,5-8,15-19H2,1-4H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,6,7,22,19,9,27,24,5,4,14,17,28,10,29,32,30,31,8,23,18/E:(2,3,4)(9,10)(11,12)(28,29)(30,31)/rA:34CCCCCCCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:16005222,2005.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  5.931;  5.930,5.931,0.001,0.001,2.0,5.931,0.001
-VTWLXSUHZLOQIX_on_P41594_WT,High,ChEMBL30,CHEMBL3702431,O=C1CN=C(n2cnc(Cl)c2)C=C2c3c(CCN12)c(-c1cc(F)cnc1)ccc3,VTWLXSUHZLOQIX,VTWLXSUHZLOQIX-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN5O/c22-19-11-27(12-26-19)20-7-18-17-3-1-2-15(13-6-14(23)9-24-8-13)16(17)4-5-28(18)21(29)10-25-20/h1-3,6-9,11-12H,4-5,10H2","""AuxInfo=1/0/N:28,27,29,16,17,21,12,26,24,3,11,7,20,22,19,15,14,13,9,5,2,10,23,25,4,8,6,18,1/rA:29OCCNCNCNCClCCCCCCCNCCCCFCNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s6d9;s5;w?12;s13;d14;s15;s16;s2s13s17;s15;s19;d20;s21;s22;d22;s24;s20d25;d19;s27;s14d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-VTWLXSUHZLOQIX_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702431,O=C1CN=C(n2cnc(Cl)c2)C=C2c3c(CCN12)c(-c1cc(F)cnc1)ccc3,VTWLXSUHZLOQIX,VTWLXSUHZLOQIX-UHFFFAOYSA-N,"InChI=1S/C21H15ClFN5O/c22-19-11-27(12-26-19)20-7-18-17-3-1-2-15(13-6-14(23)9-24-8-13)16(17)4-5-28(18)21(29)10-25-20/h1-3,6-9,11-12H,4-5,10H2","""AuxInfo=1/0/N:28,27,29,16,17,21,12,26,24,3,11,7,20,22,19,15,14,13,9,5,2,10,23,25,4,8,6,18,1/rA:29OCCNCNCNCClCCCCCCCNCCCCFCNCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s6d9;s5;w?12;s13;d14;s15;s16;s2s13s17;s15;s19;d20;s21;s22;d22;s24;s20d25;d19;s27;s14d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VTXFDYQINNVIHN_on_P41594_WT,High,ChEMBL30,CHEMBL196224,O=C(Oc1ccccc1)N1CC=C(C#Cc2ncccc2)CC1,VTXFDYQINNVIHN,VTXFDYQINNVIHN-UHFFFAOYSA-N,"InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2","""AuxInfo=1/0/N:7,6,8,20,19,21,5,9,14,15,12,22,18,11,23,13,16,4,2,17,10,1,3/E:(2,3)(7,8)/rA:23OCOCCCCCCNCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s11;w?12;s13;t14;s15;d16;s17;d18;s19;s16d20;s13;s10s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-VTZVTNGEOSWIEY_on_Q14833_WT,High,ChEMBL30,CHEMBL4093353,CN1CCN(CCOc2ccc3oc(-c4ncc5ccccc5c4)cc(=NO)c3c2)CC1,VTZVTNGEOSWIEY,VTZVTNGEOSWIEY-UHFFFAOYSA-N,"InChI=1S/C25H26N4O3/c1-28-8-10-29(11-9-28)12-13-31-20-6-7-24-21(15-20)22(27-30)16-25(32-24)23-14-18-4-2-3-5-19(18)17-26-23/h2-7,14-17,30H,8-13H2,1H3","""AuxInfo=1/0/N:1,21,20,22,19,10,11,3,32,4,31,6,7,24,30,25,17,23,18,9,29,26,15,12,14,16,27,2,5,28,8,13/E:(8,9)(10,11)/rA:32CNCCNCCOCCCCOCCNCCCCCCCCCCNOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;d14;s25;w?26;s27;s12s26;s9d29;s5;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-VUDNTKZUIAXLLZ_on_P41594_WT,High,ChEMBL30,CHEMBL253157;CHEMBL253158;CHEMBL253159,OC1CCCc2c1ccc(C#Cc1ccccc1)n2,VUDNTKZUIAXLLZ,VUDNTKZUIAXLLZ-UHFFFAOYSA-N,"InChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2","""AuxInfo=1/0/N:16,15,17,4,14,18,5,3,12,11,9,8,13,10,7,6,2,19,1/E:(2,3)(5,6)/rA:19OCCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL927734,PMID:18173231,2008.0,PMID:18173231,2008,0,1,0,0,0,,=,  5.950;  5.970;  6.010,5.977,0.025,0.018000000000000002,3.0,5.97,0.02
-VUHCVLSRHNRKFJ_on_P41594_WT,High,ChEMBL30,CHEMBL3978500,O=C1NC(c2cncc(C#CC3CCOC3)c2)C(c2cccc(F)c2)O1,VUHCVLSRHNRKFJ,VUHCVLSRHNRKFJ-UHFFFAOYSA-N,"InChI=1S/C20H17FN2O3/c21-17-3-1-2-15(9-17)19-18(23-20(24)26-19)16-8-14(10-22-11-16)5-4-13-6-7-25-12-13/h1-3,8-11,13,18-19H,6-7,12H2,(H,23,24)","""AuxInfo=1/1/N:21,20,22,11,10,13,14,17,25,8,6,16,12,9,19,5,23,4,18,2,24,7,3,1,15,26/rA:26OCNCCCNCCCCCCCOCCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s12s15;s5d9;s4;s18;d19;s20;d21;s22;s23;s19d23;s2s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,0,0,1,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-VUKNNEXTWWCNCW_on_P14867_WT,Low,ChEMBL30,CHEMBL203718,Oc1nsc(C2CCNCC2)c1Cc1ccccc1,VUKNNEXTWWCNCW,VUKNNEXTWWCNCW-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,7,11,8,10,13,14,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:19OCNSCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.330;  6.330,6.33,0.0,0.0,2.0,6.33,0.0
-VUKNNEXTWWCNCW_on_P18507_WT,Low,ChEMBL30,CHEMBL203718,Oc1nsc(C2CCNCC2)c1Cc1ccccc1,VUKNNEXTWWCNCW,VUKNNEXTWWCNCW-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,7,11,8,10,13,14,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:19OCNSCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.330;  6.330,6.33,0.0,0.0,2.0,6.33,0.0
-VUKNNEXTWWCNCW_on_P28472_WT,Low,ChEMBL30,CHEMBL203718,Oc1nsc(C2CCNCC2)c1Cc1ccccc1,VUKNNEXTWWCNCW,VUKNNEXTWWCNCW-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)","""AuxInfo=1/1/N:17,16,18,15,19,7,11,8,10,13,14,6,12,5,2,9,3,1,4/E:(2,3)(4,5)(6,7)(8,9)/rA:19OCNSCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  6.330;  6.330,6.33,0.0,0.0,2.0,6.33,0.0
-VUKQZDURBZZIME_on_P41594_WT,High,ChEMBL30,CHEMBL4244406,Cc1nc(C#Cc2cncc(OCC(=O)NCCCCCN(C)CCCCCCCCN=[N+]=[N-])c2)cs1,VUKQZDURBZZIME,VUKQZDURBZZIME-UHFFFAOYSA-N,"InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)","""AuxInfo=1/1/N:1,23,28,27,29,26,19,18,30,25,20,6,5,17,31,24,21,35,8,10,13,36,2,7,4,11,14,34,9,16,32,3,33,22,15,12,37/CRV:33.5/rA:37CCNCCCCCNCCOCCONCCCCCNCCCCCCCCCNN+N-CCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;s22;s24;s25;s26;s27;s28;s29;s30;s31;d32;d33;s7d11;d4;s2s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236719;CHEMBL4236723;CHEMBL4236720,PMID:30180563,2018.0,PMID:30180563,2018,0;1;0,0,0,1;0;1,0,,=,  5.240;  5.580;  5.240,5.353,0.16,0.113,3.0,5.24,0.0
-VUNDIRCRGWKECA_on_Q14416_WT,High,ChEMBL30,CHEMBL1669393,CCCn1ccc2c(c(Cl)cc(-c3ccc(OCCc4ccccc4)nc3)c2)c1=O,VUNDIRCRGWKECA,VUNDIRCRGWKECA-UHFFFAOYSA-N,"InChI=1S/C25H23ClN2O2/c1-2-12-28-13-10-19-15-21(16-22(26)24(19)25(28)29)20-8-9-23(27-17-20)30-14-11-18-6-4-3-5-7-18/h3-10,13,15-17H,2,11-12,14H2,1H3","""AuxInfo=1/0/N:1,2,23,22,24,21,25,14,15,6,19,3,5,18,28,11,27,20,7,13,12,9,16,8,29,10,26,4,30,17/E:(4,5)(6,7)/rA:30CCCNCCCCCClCCCCCCOCCCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s16;s13d26;s7d12;s4s8;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-VUPUXXZDZQFYJS_on_O00591_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_O14764_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P14867_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P18505_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P18507_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P28472_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P31644_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P34903_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P47869_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P47870_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P48169_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_P78334_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_Q16445_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUPUXXZDZQFYJS_on_Q99928_WT,Low,ChEMBL30,CHEMBL58564,Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2,VUPUXXZDZQFYJS,VUPUXXZDZQFYJS-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-6-9(12(15)18)11(14)10-7-4-2-3-5-8(7)17-13(10)16-6/h2-5H,1H3,(H2,15,18)(H3,14,16,17)","""AuxInfo=1/1/N:1,16,15,17,14,2,12,13,8,5,6,9,4,7,10,3,18,11/rA:18CCNCCCNCCNOCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;s9;d9;s5;d12;s13;d14;s15;s12d16;s4s13;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VUQGXRGAYLGVPS_on_P31644_WT,High,ChEMBL30,CHEMBL3676549,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2cccc(Cl)c2)no1,VUQGXRGAYLGVPS,VUQGXRGAYLGVPS-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O3/c1-12-17(19(24-27-12)13-3-2-4-15(21)9-13)11-26-18-8-5-14(10-22-18)20(25)23-16-6-7-16/h2-5,8-10,16H,6-7,11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,20,22,8,14,15,7,25,16,4,2,19,9,23,13,3,6,18,10,24,17,12,26,11,5,27/E:(6,7)/rA:27CCCCOCCCCCONCCCCNCCCCCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-VUSVWZBQTTWZGJ_on_P14867_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-VUSVWZBQTTWZGJ_on_P18507_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.140;  8.800;  8.150,8.363,0.309,0.218,3.0,8.15,0.01
-VUSVWZBQTTWZGJ_on_P28472_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.800;  8.150;  8.140,8.363,0.309,0.218,3.0,8.15,0.01
-VUSVWZBQTTWZGJ_on_P31644_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-VUSVWZBQTTWZGJ_on_P34903_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-VUSVWZBQTTWZGJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL173082,CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1,VUSVWZBQTTWZGJ,VUSVWZBQTTWZGJ-UHFFFAOYSA-N,"InChI=1S/C17H17N3O3/c1-2-23-17(22)14-15-13-8-5-9-19(13)16(21)11-6-3-4-7-12(11)20(15)10-18-14/h3-4,6-7,10,13H,2,5,8-9H2,1H3","""AuxInfo=1/0/N:1,2,19,18,10,20,17,9,11,22,15,16,8,6,7,13,4,23,12,21,14,5,3/rA:23CCOCOCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s7s16;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-VUTGVPBYFVEYNJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,56680564;CHEMBL1808870;CHEMBL1808870,O=C(c1cnccn1)N1CCCC1c1ccc(-c2cc(Cl)ccc2)nc1,VUTGVPBYFVEYNJ,VUTGVPBYFVEYNJ-UHFFFAOYSA-N,"InChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2","""AuxInfo=1/0/N:23,11,24,22,12,15,16,6,7,10,19,26,4,18,14,20,17,3,13,2,21,5,8,25,9,1/rA:26OCCCNCCNNCCCCCCCCCCCClCCCNC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s9s12;s13;d14;s15;d16;s17;d18;s19;s20;d20;s22;s18d23;s17;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:609897;CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PubChemAID:609897;PMID:21757343;PMID:21757343,2012;2011;2011,0;1;0,0,0,0;0;1,1;0;0,,=,  7.131;  7.130;  6.270,6.843999999999999,0.406,0.287,3.0,7.13,0.001
-VUUPJYXOLDOLNF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3939455,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2)c3)c(F)c1,VUUPJYXOLDOLNF,VUUPJYXOLDOLNF-UHFFFAOYSA-N,"InChI=1S/C25H22FN3O2/c1-15(10-16-4-3-9-28-14-16)17-5-7-20-21(13-24(25(27)30)29-23(20)11-17)19-8-6-18(31-2)12-22(19)26/h3-9,11-15H,10H2,1-2H3,(H2,27,30)","""AuxInfo=1/1/N:20,1,24,23,17,4,16,5,25,21,28,31,8,27,19,22,18,3,6,15,7,29,14,9,10,30,11,26,13,12,2/rA:31COCCCCCCCCNONCCCCCCCCCCCCNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s19;s21;d22;s23;d24;s25;s22d26;s14d18;s6;s29;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  8.100,8.05,0.05,0.05,2.0,8.05,0.05
-VUVIRIKCQGNTPJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3911093,CN(C(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)C,VUVIRIKCQGNTPJ,VUVIRIKCQGNTPJ-UHFFFAOYSA-N,"InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3","""AuxInfo=1/0/N:21,22,23,1,13,12,14,10,9,7,6,17,18,11,8,15,5,3,20,16,19,2,4/E:(1,2,3)/rA:23CNCOCCCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544;CHEMBL3888543;CHEMBL3888361,PATENT:US9328070B2,2016.0,PATENT:US9359301B2;PATENT:US9359301B2;PATENT:US9328070B2,2016,0,1;1;0,0,0;0;1,0,,=,  7.540;  7.800;  7.540,7.627000000000001,0.12300000000000001,0.087,3.0,7.54,0.0
-VUVNBGXOCSAVDV_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647572,CS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1,VUVNBGXOCSAVDV,VUVNBGXOCSAVDV-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O2S/c1-29(27,28)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-24-25-21-20(18)23-12-26(21)15-5-6-15/h2-4,7-12,15H,5-6H2,1H3","""AuxInfo=1/0/N:1,7,28,24,22,23,6,29,25,10,13,19,8,11,21,5,9,12,26,17,16,27,18,14,15,20,3,4,2/E:(2,3)(5,6)(7,8)(27,28)/CRV:29.6/rA:29CSOOCCCCCCCCCNNCCNCNCCCCCCFCC/rB:s1;d2;d2;s2;d5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s17;d18;s16s19;s20;s21;s21s22;d11;s24;s9d25;s26;s8;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-VUXRDOLWLFPPTE_on_P41594_WT,High,ChEMBL30,CHEMBL1682789,CN1CCOc2c1ncc(C#Cc1ccccc1)c2,VUXRDOLWLFPPTE,VUXRDOLWLFPPTE-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,12,11,3,4,19,9,13,10,6,7,8,2,5/E:(3,4)(5,6)/rA:19CNCCOCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.520;  7.520,7.52,0.0,0.0,2.0,7.52,0.0
-VUYWTACIDAVGNA_on_P18507_WT,Low,ChEMBL30,CHEMBL1077374,Fc1ccc2c(c1)-c1ncnn1Cc1cncn-21,VUYWTACIDAVGNA,VUYWTACIDAVGNA-UHFFFAOYSA-N,"InChI=1S/C12H8FN5/c13-8-1-2-11-10(3-8)12-15-6-16-18(12)5-9-4-14-7-17(9)11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:3,4,7,15,13,10,17,2,14,6,5,8,1,16,9,11,18,12/rA:18FCCCCCCCNCNNCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s5s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VUYWTACIDAVGNA_on_P28472_WT,Low,ChEMBL30,CHEMBL1077374,Fc1ccc2c(c1)-c1ncnn1Cc1cncn-21,VUYWTACIDAVGNA,VUYWTACIDAVGNA-UHFFFAOYSA-N,"InChI=1S/C12H8FN5/c13-8-1-2-11-10(3-8)12-15-6-16-18(12)5-9-4-14-7-17(9)11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:3,4,7,15,13,10,17,2,14,6,5,8,1,16,9,11,18,12/rA:18FCCCCCCCNCNNCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s5s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VUYWTACIDAVGNA_on_P31644_WT,Low,ChEMBL30,CHEMBL1077374,Fc1ccc2c(c1)-c1ncnn1Cc1cncn-21,VUYWTACIDAVGNA,VUYWTACIDAVGNA-UHFFFAOYSA-N,"InChI=1S/C12H8FN5/c13-8-1-2-11-10(3-8)12-15-6-16-18(12)5-9-4-14-7-17(9)11/h1-4,6-7H,5H2","""AuxInfo=1/0/N:3,4,7,15,13,10,17,2,14,6,5,8,1,16,9,11,18,12/rA:18FCCCCCCCNCNNCCCNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;s5s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VUZAUNZSDCMUTH_on_O00591_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_O14764_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_P14867_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL3370251;CHEMBL3370251,PMID:25038482,2014.0,PMID:25038482,2014,0,0;0;1;1,0,1;1;0;0,0,,=,  7.360;  7.360;  5.580;  5.580,6.47,0.89,0.514,4.0,6.47,0.89
-VUZAUNZSDCMUTH_on_P18505_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_P18507_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370259;CHEMBL3370259;CHEMBL3370250;CHEMBL3370250;CHEMBL3370251;CHEMBL3370251;CHEMBL3370257;CHEMBL3370257,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;0;0;1;1;1;1,0,0;0;1;1;0;0;0;0,0,,=,  5.980;  5.960;  7.360;  7.360;  5.580;  5.580;  6.090;  6.080,6.249,0.6679999999999999,0.253,8.0,6.03,0.26
-VUZAUNZSDCMUTH_on_P28472_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_P31644_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_P34903_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250;CHEMBL3370250;CHEMBL3370259;CHEMBL3370259,PMID:25038482,2014.0,PMID:25038482,2014,0,0;0;1;1,0,1;1;0;0,0,,=,  7.360;  7.360;  5.980;  5.960,6.665,0.695,0.401,4.0,6.67,0.69
-VUZAUNZSDCMUTH_on_P47869_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370257;CHEMBL3370257;CHEMBL3370250;CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;0;0,0,0;0;1;1,0,,=,  6.080;  6.090;  7.360;  7.360,6.723,0.638,0.368,4.0,6.725,0.635
-VUZAUNZSDCMUTH_on_P47870_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370259;CHEMBL3370257;CHEMBL3370257;CHEMBL3370251;CHEMBL3370251;CHEMBL3370259;CHEMBL3370250;CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,1;1;1;1;1;1;0;0,0,0;0;0;0;0;0;1;1,0,,=,  5.960;  6.080;  6.090;  5.580;  5.580;  5.980;  7.360;  7.360,6.249,0.6679999999999999,0.253,8.0,6.03,0.26
-VUZAUNZSDCMUTH_on_P48169_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_P78334_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZAUNZSDCMUTH_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322882,NC1=NCC(C(=O)O)CC1,VUZAUNZSDCMUTH,VUZAUNZSDCMUTH-UHFFFAOYSA-N,"InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:9,10,4,5,2,6,1,3,7,8/E:(9,10)/rA:10NCNCCCOOCC/rB:s1;w?2;s3;s4;s5;d6;s6;s5;s2s9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-VUZLYBRTAQEVIR_on_P41594_WT,Low,ChEMBL30,CHEMBL1784062,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2cccc(Cl)c2)c1=O,VUZLYBRTAQEVIR,VUZLYBRTAQEVIR-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-4-11(19)6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,21,19,24,4,10,16,2,22,18,7,14,13,6,8,25,23,5,11,9,15,17,26,12/rA:26CCCCNCCCNCNSCCNCNCCCCCClCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VUZLYBRTAQEVIR_on_Q13255_WT,High,ChEMBL30,CHEMBL1784062,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2cccc(Cl)c2)c1=O,VUZLYBRTAQEVIR,VUZLYBRTAQEVIR-UHFFFAOYSA-N,"InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-4-11(19)6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,21,19,24,4,10,16,2,22,18,7,14,13,6,8,25,23,5,11,9,15,17,26,12/rA:26CCCCNCCCNCNSCCNCNCCCCCClCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s18d22;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VVBCWXYJDJXEEI_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545802;CHEMBL3087223,CC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2,VVBCWXYJDJXEEI,VVBCWXYJDJXEEI-UHFFFAOYSA-N,"InChI=1S/C18H21NO2/c1-13-4-3-5-15(10-13)8-9-18(21)11-16-6-7-17(12-18)19(16)14(2)20/h3-5,10,16-17,21H,6-7,11-12H2,1-2H3","""AuxInfo=1/0/N:19,1,16,17,15,6,7,13,12,20,21,9,18,2,14,5,8,10,4,3,11/E:(6,7)(11,12)(16,17)/rA:21CCONCCCCCCOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;s10;s10;t12;s13;d14;s15;d16;s17;s18;s14d18;s5s10;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  6.265;  6.260,6.2620000000000005,0.002,0.002,2.0,6.2620000000000005,0.002
-VVBFAZRDUJRAAU_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1699345;46869952,CC1(c2ccccc2)CC(=O)N(c2c(Cl)cc(NC(=O)c3ncccc3)cc2)C1=O,VVBFAZRDUJRAAU,VVBFAZRDUJRAAU-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3O3/c1-23(15-7-3-2-4-8-15)14-20(28)27(22(23)30)19-11-10-16(13-17(19)24)26-21(29)18-9-5-6-12-25-18/h2-13H,14H2,1H3,(H,26,29)","""AuxInfo=1/1/N:1,6,5,7,25,24,4,8,26,27,28,23,16,9,3,17,14,21,13,10,19,29,2,15,22,18,12,11,20,30/E:(3,4)(7,8)/rA:30CCCCCCCCCCONCCClCCNCOCNCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s10;s12;d13;s14;s14;d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s17;s13d27;s2s12;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408,PubChemAID:2197,2009.0,PMID:21966889;PubChemAID:631408,2011;2012,0,1;0,0,0,0;1,,=,  6.110;  6.113,6.112,0.002,0.002,2.0,6.112,0.002
-VVBYXJYBLBPAEN_on_P14867_WT,High,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-VVBYXJYBLBPAEN_on_P18507_WT,Low,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111367;CHEMBL1111366;CHEMBL1111355;CHEMBL1111365,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.850;  7.620;  8.700;  7.820,7.997999999999999,0.415,0.24,4.0,7.835,0.115
-VVBYXJYBLBPAEN_on_P28472_WT,Low,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355;CHEMBL1111365;CHEMBL1111367;CHEMBL1111366,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.700;  7.820;  7.850;  7.620,7.997000000000001,0.415,0.24,4.0,7.835,0.115
-VVBYXJYBLBPAEN_on_P31644_WT,High,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403720,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-VVBYXJYBLBPAEN_on_P34903_WT,High,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403719,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-VVBYXJYBLBPAEN_on_P47869_WT,High,ChEMBL30,CHEMBL1077391,Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,VVBYXJYBLBPAEN,VVBYXJYBLBPAEN-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,1,16,9,17,11,19,12/rA:19ClCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:19762240,2009.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-VVCFNYLUZTZIDJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3947590,FC(F)(F)c1c(CN2CCC(c3c(Cl)cccc3)CC2)ccn2c(CC3CC3)nnc12,VVCFNYLUZTZIDJ,VVCFNYLUZTZIDJ-UHFFFAOYSA-N,"InChI=1S/C23H24ClF3N4/c24-19-4-2-1-3-18(19)16-7-10-30(11-8-16)14-17-9-12-31-20(13-15-5-6-15)28-29-22(31)21(17)23(25,26)27/h1-4,9,12,15-16H,5-8,10-11,13-14H2","""AuxInfo=1/0/N:17,16,18,15,27,28,10,19,21,9,20,22,25,7,26,11,6,12,13,24,5,31,2,14,1,3,4,29,30,8,23/E:(5,6)(7,8)(10,11)(25,26,27)/rA:31FCFFCCCNCCCCCClCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s11;d12;s13;s13;d15;s16;s12d17;s11;s8s19;s6;d21;s22;s23;s24;s25;s26;s26s27;d24;s29;s5s23d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3858844,PMID:27579727,2016.0,PMID:27579727,2016,0,1,0,0,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-VVFBLNODTINYDD_on_Q12879_WT,Medium,ChEMBL30,CHEMBL151428,c1ccc(CC2CCN(CCCSc3n[nH]cn3)CC2)cc1,VVFBLNODTINYDD,VVFBLNODTINYDD-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-2-5-15(6-3-1)13-16-7-10-21(11-8-16)9-4-12-22-17-18-14-19-20-17/h1-3,5-6,14,16H,4,7-13H2,(H,18,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,10,8,19,12,5,17,4,6,14,18,16,15,9,13/E:(2,3)(5,6)(7,8)(10,11)/rA:22CCCCCCCCNCCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.290,4.29,0.0,0.0,1.0,4.29,0.0
-VVFBLNODTINYDD_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151428,c1ccc(CC2CCN(CCCSc3n[nH]cn3)CC2)cc1,VVFBLNODTINYDD,VVFBLNODTINYDD-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-2-5-15(6-3-1)13-16-7-10-21(11-8-16)9-4-12-22-17-18-14-19-20-17/h1-3,5-6,14,16H,4,7-13H2,(H,18,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,10,8,19,12,5,17,4,6,14,18,16,15,9,13/E:(2,3)(5,6)(7,8)(10,11)/rA:22CCCCCCCCNCCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-VVFBLNODTINYDD_on_Q14957_WT,Low,ChEMBL30,CHEMBL151428,c1ccc(CC2CCN(CCCSc3n[nH]cn3)CC2)cc1,VVFBLNODTINYDD,VVFBLNODTINYDD-UHFFFAOYSA-N,"InChI=1S/C17H24N4S/c1-2-5-15(6-3-1)13-16-7-10-21(11-8-16)9-4-12-22-17-18-14-19-20-17/h1-3,5-6,14,16H,4,7-13H2,(H,18,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,10,8,19,12,5,17,4,6,14,18,16,15,9,13/E:(2,3)(5,6)(7,8)(10,11)/rA:22CCCCCCCCNCCCSCNNCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VVFMNOAXGYGUKJ_on_P41594_WT,High,ChEMBL30,CHEMBL377706,Cc1cc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)c1,VVFMNOAXGYGUKJ,VVFMNOAXGYGUKJ-UHFFFAOYSA-N,"InChI=1S/C20H20ClNO/c1-14-9-19(22-15(2)7-8-16(22)3)12-20(10-14)23-13-17-5-4-6-18(21)11-17/h4-12H,13H2,1-3H3","""AuxInfo=1/0/N:1,7,11,18,17,19,8,9,3,23,22,12,15,2,6,10,16,20,4,13,21,5,14/E:(2,3)(7,8)(15,16)/rA:23CCCCNCCCCCCCCOCCCCCCClCC/rB:s1;d2;s3;s4;s5;s6;d6;s8;s5d9;s10;d4;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-VVJYHLKAUNCNJC_on_Q13255_WT,High,ChEMBL30,CHEMBL3759038,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2c1,VVJYHLKAUNCNJC,VVJYHLKAUNCNJC-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3S/c1-10-3-5-13-14(7-10)20(27)24(19(13)26)16-6-4-12(8-15(16)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,20,2,17,12,5,27,23,9,16,14,6,25,24,21,13,8,15,7,26,19/rA:28CCCCCCONCCCCNCOCCCSCNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;s19;s16d20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.660;  7.660,7.66,0.0,0.0,2.0,7.66,0.0
-VVJYHLKAUNCNJC_on_Q14833_WT,High,ChEMBL30,CHEMBL3759038,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2c1,VVJYHLKAUNCNJC,VVJYHLKAUNCNJC-UHFFFAOYSA-N,"InChI=1S/C20H14ClN3O3S/c1-10-3-5-13-14(7-10)20(27)24(19(13)26)16-6-4-12(8-15(16)21)23-18(25)17-11(2)28-9-22-17/h3-9H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,28,22,20,2,17,12,5,27,23,9,16,14,6,25,24,21,13,8,15,7,26,19/rA:28CCCCCCONCCCCNCOCCCSCNCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;s19;s16d20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-VVNKJGAZNGDOQW_on_P41594_WT,High,ChEMBL30,CHEMBL3633979,CC(=O)N1CCCn2nc(COc3ccccc3)nc12,VVNKJGAZNGDOQW,VVNKJGAZNGDOQW-UHFFFAOYSA-N,"InChI=1S/C14H16N4O2/c1-11(19)17-8-5-9-18-14(17)15-13(16-18)10-20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3","""AuxInfo=1/0/N:1,16,15,17,6,14,18,5,7,11,2,13,10,20,19,9,4,8,3,12/E:(3,4)(6,7)/rA:20CCONCCCNNCCOCCCCCCNC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-VVOAZFWZEDHOOU_on_P14867_WT,Low,ChEMBL30,CHEMBL180920,C=CCc1cc(-c2c(O)ccc(CC=C)c2)c(O)cc1,VVOAZFWZEDHOOU,VVOAZFWZEDHOOU-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,15,2,14,3,13,20,11,19,10,5,16,4,12,6,7,17,8,18,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCCCCOCCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s7d12;d6;s17;s17;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-VVOAZFWZEDHOOU_on_P47870_WT,Low,ChEMBL30,CHEMBL180920,C=CCc1cc(-c2c(O)ccc(CC=C)c2)c(O)cc1,VVOAZFWZEDHOOU,VVOAZFWZEDHOOU-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2","""AuxInfo=1/0/N:1,15,2,14,3,13,20,11,19,10,5,16,4,12,6,7,17,8,18,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20CCCCCCCCOCCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s7d12;d6;s17;s17;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.430,4.43,0.0,0.0,1.0,4.43,0.0
-VVSYKPWWZACODP_on_P41594_WT,High,ChEMBL30,CHEMBL204299,COc1cc(NC(=O)NC2=NC(=O)CN2C)ccc1,VVSYKPWWZACODP,VVSYKPWWZACODP-UHFFFAOYSA-N,"InChI=1S/C12H14N4O3/c1-16-7-10(17)14-11(16)15-12(18)13-8-4-3-5-9(6-8)19-2/h3-6H,7H2,1-2H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:16,1,18,17,19,4,14,5,3,12,10,7,6,11,9,15,13,8,2/rA:19COCCCNCONCNCOCNCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;w?10;s11;d12;s12;s10s14;s15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-VWASJVQAKQNJRJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771688,Cc1cc(-c2noc(C3CCCCN3C(=O)c3cccc(F)c3)n2)ccc1,VWASJVQAKQNJRJ,VWASJVQAKQNJRJ-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-14-6-4-7-15(12-14)19-23-20(27-24-19)18-10-2-3-11-25(18)21(26)16-8-5-9-17(22)13-16/h4-9,12-13,18H,2-3,10-11H2,1H3","""AuxInfo=1/0/N:1,11,12,26,19,27,25,18,20,10,13,3,23,2,4,17,21,9,5,8,15,22,24,6,14,16,7/rA:27CCCCCNOCCCCCCNCOCCCCCFCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s5d8;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-VWCCHJFFYCGXFL_on_O00591_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_O14764_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P14867_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P18505_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P18507_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P28472_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P31644_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P34903_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P47869_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P47870_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P48169_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_P78334_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_Q16445_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWCCHJFFYCGXFL_on_Q99928_WT,Low,ChEMBL30,CHEMBL127135,O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12,VWCCHJFFYCGXFL,VWCCHJFFYCGXFL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCFCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-VWGBBXVMMXEXDG_on_P14867_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681640,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-VWGBBXVMMXEXDG_on_P18507_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.220;  6.600,6.41,0.19,0.19,2.0,6.41,0.19
-VWGBBXVMMXEXDG_on_P28472_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.600;  6.220,6.41,0.19,0.19,2.0,6.41,0.19
-VWGBBXVMMXEXDG_on_P31644_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-VWGBBXVMMXEXDG_on_P34903_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-VWGBBXVMMXEXDG_on_P47869_WT,Low,ChEMBL30,CHEMBL56746,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O,VWGBBXVMMXEXDG,VWGBBXVMMXEXDG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3","""AuxInfo=1/0/N:22,23,27,13,1,18,25,9,15,19,24,10,14,6,8,17,20,11,7,5,16,28,3,21,26,29,4,12,2/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:29COCOCCCCCCCOCCCCCCCCNCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s21;s21;s20;s17d24;s16;s26;s5s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-VWHFLPHEDKHDIS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3914450,CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)O1,VWHFLPHEDKHDIS,VWHFLPHEDKHDIS-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O2/c1-18(2)7-8-22(17(23)24-18)16-6-5-13(11-21-16)3-4-14-9-15(19)12-20-10-14/h5-6,9-12H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,11,12,9,8,4,5,19,14,20,16,10,13,17,7,22,2,18,15,21,6,23,24/E:(1,2)/rA:24CCCCCNCCCCCCCCNCCClCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-VWIHRRSEESXDSS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361325;10332109,N#Cc1cccc(-n2ccc(-c3ncccc3)c2)c1,VWIHRRSEESXDSS,VWIHRRSEESXDSS-UHFFFAOYSA-N,"InChI=1S/C16H11N3/c17-11-13-4-3-5-15(10-13)19-9-7-14(12-19)16-6-1-2-8-18-16/h1-10,12H","""AuxInfo=1/0/N:16,15,5,4,6,17,10,14,9,19,2,18,3,11,7,12,1,13,8/rA:19NCCCCCCNCCCCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257;PubChemAID:248415,PMID:15341479,2004.0,PMID:15341479;PubChemAID:248415,2004;2010,1;0,0,0,0,0;1,,=,  6.720;  6.721,6.72,0.001,0.001,2.0,6.72,0.001
-VWLUFYCJZSWCQR_on_Q13224_WT,High,ChEMBL30,CHEMBL3357790,c1ccc(CC2CCN(C3CCc4c(cccc4)CC3)CC2)cc1,VWLUFYCJZSWCQR,VWLUFYCJZSWCQR-UHFFFAOYSA-N,"InChI=1S/C23H29N/c1-2-6-19(7-3-1)18-20-14-16-24(17-15-20)23-12-10-21-8-4-5-9-22(21)11-13-23/h1-9,20,23H,10-18H2","""AuxInfo=1/0/N:1,2,24,16,17,3,23,15,18,19,12,20,11,7,22,8,21,5,4,6,14,13,10,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(21,22)/rA:24CCCCCCCCNCCCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s14;s10s19;s9;s6s21;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3390297,PMID:25458498,2014.0,PMID:25458498,2014,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-VWMLTODHNBXOFD_on_P41594_WT,High,ChEMBL30,CHEMBL1630065,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(Cl)nn12,VWMLTODHNBXOFD,VWMLTODHNBXOFD-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O3/c1-8-11(22-13-17-12(15)18-19(8)13)9(2)21-14(20)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,20)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,2,4,10,3,19,17,7,20,9,18,21,22,8,6,16/E:(4,5)(6,7)/rA:22CCCCCOCONCCCCCCOCNCClNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;s19;d19;s2s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-VWMYNZITOCPLFE_on_Q05586_WT,Low,ChEMBL30,CHEMBL228486,NCCCNCCCCNCCCNC(=O)n1c2c(cccc2)c2c1cccc2,VWMYNZITOCPLFE,VWMYNZITOCPLFE-UHFFFAOYSA-N,"InChI=1S/C23H33N5O/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:21,28,22,27,7,8,3,12,20,29,23,26,2,6,9,4,11,13,19,24,18,25,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:29NCCCNCCCCNCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s17d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889736;CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.840;  7.080,6.96,0.12,0.12,2.0,6.96,0.12
-VWMYNZITOCPLFE_on_Q12879_WT,Low,ChEMBL30,CHEMBL228486,NCCCNCCCCNCCCNC(=O)n1c2c(cccc2)c2c1cccc2,VWMYNZITOCPLFE,VWMYNZITOCPLFE-UHFFFAOYSA-N,"InChI=1S/C23H33N5O/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:21,28,22,27,7,8,3,12,20,29,23,26,2,6,9,4,11,13,19,24,18,25,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:29NCCCNCCCCNCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s17d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-VWMYNZITOCPLFE_on_Q13224_WT,Low,ChEMBL30,CHEMBL228486,NCCCNCCCCNCCCNC(=O)n1c2c(cccc2)c2c1cccc2,VWMYNZITOCPLFE,VWMYNZITOCPLFE-UHFFFAOYSA-N,"InChI=1S/C23H33N5O/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-21-11-3-1-9-19(21)20-10-2-4-12-22(20)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:21,28,22,27,7,8,3,12,20,29,23,26,2,6,9,4,11,13,19,24,18,25,15,1,5,10,14,17,16/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:29NCCCNCCCCNCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s17d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-VWOMTTIMBHBPBI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL254777,Cc1c(C(=O)NC2CCCCC2)sc2nc3c(cc(N)cc3)n12,VWOMTTIMBHBPBI,VWOMTTIMBHBPBI-UHFFFAOYSA-N,"InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)","""AuxInfo=1/1/N:1,10,9,11,8,12,21,22,18,2,19,7,16,17,3,4,14,20,6,15,23,5,13/E:(3,4)(5,6)/rA:23CCCCONCCCCCCSCNCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s3;s13;d14;s15;d16;s17;d18;s19;s19;s16d21;s2s14s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:17489573,2007.0,PMID:17489573,2007,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-VWOQMXJBIJWKBU_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606093,CCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCC)c2,VWOQMXJBIJWKBU,VWOQMXJBIJWKBU-UHFFFAOYSA-N,"InChI=1S/C37H46N4/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3/q+2","""AuxInfo=1/0/N:1,40,2,39,21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,3,38,17,25,5,36,9,41,10,32,8,33,11,27,7,34,4,37,16,26/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:38+1,39+1/rA:41CCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.700;  6.000,5.85,0.15,0.15,2.0,5.85,0.15
-VWOQMXJBIJWKBU_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606093,CCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCC)c2,VWOQMXJBIJWKBU,VWOQMXJBIJWKBU-UHFFFAOYSA-N,"InChI=1S/C37H46N4/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3/q+2","""AuxInfo=1/0/N:1,40,2,39,21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,3,38,17,25,5,36,9,41,10,32,8,33,11,27,7,34,4,37,16,26/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:38+1,39+1/rA:41CCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-VWOQMXJBIJWKBU_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606093,CCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCC)c2,VWOQMXJBIJWKBU,VWOQMXJBIJWKBU-UHFFFAOYSA-N,"InChI=1S/C37H46N4/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3/q+2","""AuxInfo=1/0/N:1,40,2,39,21,20,22,19,23,14,30,13,29,18,24,15,31,12,28,6,35,3,38,17,25,5,36,9,41,10,32,8,33,11,27,7,34,4,37,16,26/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)/CRV:38+1,39+1/rA:41CCCN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s13;s10d14;s7s11;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s32;s26d33;s34;d35;s36;s37;s38;s39;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-VWPKCLDSEUHBJO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672436;24784504,Clc1ccc(Nc2c(Cl)cc(-c3ncc4CCCCn43)cn2)cc1,VWPKCLDSEUHBJO,VWPKCLDSEUHBJO-UHFFFAOYSA-N,"InChI=1S/C18H16Cl2N4/c19-13-4-6-14(7-5-13)23-17-16(20)9-12(10-21-17)18-22-11-15-3-1-2-8-24(15)18/h4-7,9-11H,1-3,8H2,(H,21,23)","""AuxInfo=1/1/N:17,18,16,3,24,4,23,19,10,21,14,11,2,5,15,8,7,12,1,9,22,13,6,20/E:(4,5)(6,7)/rA:24ClCCCCNCCClCCCNCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;d14;s15;s16;s17;s18;s12s15s19;s11;s7d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466;PubChemAID:570020,PMID:24900255,2011.0,PMID:24900255;PubChemAID:570020,2011,1;0,0,0,0,0;1,,=,  5.920;  5.921,5.921,0.0,0.0,2.0,5.921,0.001
-VWVNXKONKNIJFU_on_P41594_WT,High,ChEMBL30,CHEMBL3702358,COc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1,VWVNXKONKNIJFU,VWVNXKONKNIJFU-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-25-18-5-3-4-14-15(18)7-9-23-17(14)11-16(22-12-20(23)24)13-6-8-21-19(10-13)26-2/h3-6,8,10-11H,7,9,12H2,1-2H3","""AuxInfo=1/0/N:21,1,17,16,18,24,13,25,12,4,23,8,5,15,14,6,22,19,3,9,26,7,11,10,20,2/rA:26COCCCCNCCONCCCCCCCCOCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.660;  6.660,7.16,0.5,0.5,2.0,7.16,0.5
-VWVNXKONKNIJFU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702358,COc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1,VWVNXKONKNIJFU,VWVNXKONKNIJFU-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c1-25-18-5-3-4-14-15(18)7-9-23-17(14)11-16(22-12-20(23)24)13-6-8-21-19(10-13)26-2/h3-6,8,10-11H,7,9,12H2,1-2H3","""AuxInfo=1/0/N:21,1,17,16,18,24,13,25,12,4,23,8,5,15,14,6,22,19,3,9,26,7,11,10,20,2/rA:26COCCCCNCCONCCCCCCCCOCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s11s15;s6w?22;d5;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.310;  6.230,5.77,0.46,0.46,2.0,5.77,0.46
-VWXOCUJRVXMYKN_on_P41594_WT,High,ChEMBL30,CHEMBL2431429,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1,VWXOCUJRVXMYKN,VWXOCUJRVXMYKN-UHFFFAOYSA-N,"InChI=1S/C27H26FN5O/c1-20-17-22(10-11-23(20)28)24-18-33(27(30-24)21-7-3-2-4-8-21)19-26(34)32-15-13-31(14-16-32)25-9-5-6-12-29-25/h2-12,17-18H,13-16,19H2,1H3","""AuxInfo=1/0/N:1,30,29,31,20,21,28,32,19,6,5,22,16,24,15,25,34,9,11,2,27,7,3,8,18,12,26,4,23,33,17,14,10,13/E:(3,4)(7,8)(13,14)(15,16)/rA:34CCCFCCCCCNCCONCCNCCCCCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s14s24;s10;s26;d27;s28;d29;s30;s27d31;s8d26;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-VXDPUKHUSNJVCJ_on_P14867_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-VXDPUKHUSNJVCJ_on_P18507_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL678741;CHEMBL678745;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.310;  7.960;  8.490;  7.550,7.827000000000001,0.44799999999999995,0.258,4.0,7.755,0.325
-VXDPUKHUSNJVCJ_on_P28472_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL681841;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.310;  7.550;  8.490;  7.960,7.827000000000001,0.44799999999999995,0.258,4.0,7.755,0.325
-VXDPUKHUSNJVCJ_on_P31644_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-VXDPUKHUSNJVCJ_on_P34903_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-VXDPUKHUSNJVCJ_on_P47869_WT,Low,ChEMBL30,CHEMBL299802,C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,VXDPUKHUSNJVCJ,VXDPUKHUSNJVCJ-UHFFFAOYSA-N,"InChI=1S/C17H13N5O/c1-2-15-19-20-16-13-8-3-4-9-14(13)17(21-22(15)16)23-11-12-7-5-6-10-18-12/h2-10H,1,11H2","""AuxInfo=1/0/N:1,2,11,10,20,19,21,12,9,18,15,16,7,8,3,6,13,17,4,5,22,23,14/rA:23CCCNNCCCCCCCCOCCNCCCCNN/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s7d11;s8;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s3s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-VXDVOGLLONZOFR_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,70685762;CHEMBL2029791,COc1c(Cl)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1,VXDVOGLLONZOFR,VXDVOGLLONZOFR-UHFFFAOYSA-N,"InChI=1S/C18H19ClN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3","""AuxInfo=1/0/N:18,19,1,22,23,16,21,15,20,6,10,17,7,8,9,4,3,12,5,11,14,13,2/E:(1,2)/rA:23COCCClCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;t10;s9;d12;s12;s14;s15;s16;s17;s17;s14;s8d20;s7;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  6.440;  6.440,6.44,0.0,0.0,2.0,6.44,0.0
-VXFCYUAFWNPAHK_on_P41594_WT,High,ChEMBL30,CHEMBL3597586,C=Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1,VXFCYUAFWNPAHK,VXFCYUAFWNPAHK-UHFFFAOYSA-N,"InChI=1S/C20H18N4O3/c1-2-17-9-10-18(24(26)27)20(21-17)23-14-12-22(13-15-23)19(25)11-8-16-6-4-3-5-7-16/h2-7,9-10H,1,12-15H2","""AuxInfo=1/0/N:1,2,22,21,23,20,24,18,4,5,17,13,25,12,26,19,3,6,15,10,27,14,11,7,16,8,9/E:(4,5)(6,7)(12,13)(14,15)(26,27)/CRV:24.5/rA:27CCCCCCN+OO-CNCCNCOCCCCCCCCCCN/rB:d1;s2;d3;s4;d5;s6;d7;s7;s6;s10;s11;s12;s13;s14;d15;s15;t17;s18;d19;s20;d21;s22;s19d23;s14;s11s25;s3d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,1,0,0,0,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-VXOPQVWLUHAERE_on_Q13255_WT,High,ChEMBL30,CHEMBL3634423,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2,VXOPQVWLUHAERE,VXOPQVWLUHAERE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O4/c1-12-5-4-6-16-18(12)22(27)24(21(16)26)17-8-7-15(11-14(17)3)23-20(25)19-13(2)9-10-28-19/h4-11H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:25,10,1,27,26,28,14,15,11,12,3,24,9,2,4,20,16,21,8,6,18,22,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.670;  7.680,7.675,0.005,0.005,2.0,7.675,0.005
-VXOPQVWLUHAERE_on_Q14833_WT,High,ChEMBL30,CHEMBL3634423,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2,VXOPQVWLUHAERE,VXOPQVWLUHAERE-UHFFFAOYSA-N,"InChI=1S/C22H18N2O4/c1-12-5-4-6-16-18(12)22(27)24(21(16)26)17-8-7-15(11-14(17)3)23-20(25)19-13(2)9-10-28-19/h4-11H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:25,10,1,27,26,28,14,15,11,12,3,24,9,2,4,20,16,21,8,6,18,22,5,17,7,19,23,13/rA:28CCCCNCOCCCCCOCCCNCOCCCOCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s17s21;d22;s21;s24;d24;s26;s20d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-VXOTXBBKYYAFNZ_on_P41594_WT,High,ChEMBL30,CHEMBL2403680,CC(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,VXOTXBBKYYAFNZ,VXOTXBBKYYAFNZ-UHFFFAOYSA-N,"InChI=1S/C16H14N2OS/c1-12(19)18-10-9-14-15(11-18)20-16(17-14)8-7-13-5-3-2-4-6-13/h2-6H,9-11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,6,5,9,2,14,7,8,11,20,4,3,10/E:(3,4)(5,6)/rA:20CCONCCCCCSCCCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s4s8;s8;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7d11;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-VXOXRIDQOBACKW_on_O00591_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_O14764_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P14867_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P18505_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P18507_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P28472_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P31644_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P34903_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P47869_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P47870_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P48169_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_P78334_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_Q16445_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXOXRIDQOBACKW_on_Q99928_WT,Low,ChEMBL30,CHEMBL59257,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2,VXOXRIDQOBACKW,VXOXRIDQOBACKW-UHFFFAOYSA-N,InChI=1S/C15H8BrClO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCClCCCOCCCCBrCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-VXQCCZHCFBHTTD_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30;ChEMBL30,CHEMBL381055;11383075;CHEMBL381055;CHEMBL381055,O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,VXQCCZHCFBHTTD,VXQCCZHCFBHTTD-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2","""AuxInfo=1/0/N:12,13,19,24,4,9,20,23,5,8,11,27,18,3,14,21,6,17,15,2,22,7,16,25,10,1,26/E:(3,4)(5,6)(7,8)(9,10)/rA:27OCCCCCFCCNCCCCCNCCCCCFCCNOC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;d17;s15s25;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433921;PubChemAID:773849;CHEMBL2426830;CHEMBL2426830,PMID:23947773,2013.0,PMID:24050755;PubChemAID:773849;PMID:23947773;PMID:23947773,2013;2014;2013;2013,0,1;0;1;1,0,0,0;1;0;0,,=,  6.800;  6.804;  6.700;  6.700,6.751,0.051,0.028999999999999998,4.0,6.75,0.05
-VXQCREDNVDGOFN_on_P41594_WT,High,ChEMBL30,CHEMBL2349536,Cc1nc(NC(=O)c2nn(C)c(-c3cccc(Cl)c3)c2C)ccc1,VXQCREDNVDGOFN,VXQCREDNVDGOFN-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O/c1-11-6-4-9-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-5-8-14(19)10-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,21,11,23,15,24,14,16,22,19,2,20,13,17,4,8,12,6,18,3,5,9,10,7/rA:24CCNCNCOCNNCCCCCCCClCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s10;s12;d13;s14;d15;s16;s17;s13d17;s8d12;s20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-VXQMOZQQXGGBOS_on_P41594_WT,High,ChEMBL30,CHEMBL3644433,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4OC(C)C)C3=C2)cn1,VXQMOZQQXGGBOS,VXQMOZQQXGGBOS-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-14(2)28-19-6-4-5-16-17(19)7-8-25-18(16)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13-14H,7-8,10,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,18,17,19,14,13,26,9,5,3,27,22,4,16,15,25,20,7,10,8,28,6,12,11,2,21/E:(1,2)/rA:28COCCCNCNCCONCCCCCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s22;s22;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-VXQMOZQQXGGBOS_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644433,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4OC(C)C)C3=C2)cn1,VXQMOZQQXGGBOS,VXQMOZQQXGGBOS-UHFFFAOYSA-N,"InChI=1S/C21H24N4O3/c1-14(2)28-19-6-4-5-16-17(19)7-8-25-18(16)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13-14H,7-8,10,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,18,17,19,14,13,26,9,5,3,27,22,4,16,15,25,20,7,10,8,28,6,12,11,2,21/E:(1,2)/rA:28COCCCNCNCCONCCCCCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s22;s22;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-VXRJEJMWRCEASF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3972182,CC(C)N1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,VXRJEJMWRCEASF,VXRJEJMWRCEASF-UHFFFAOYSA-N,"InChI=1S/C20H21FN4O/c1-14(2)25-19(26)24(13-20(25,3)4)18-22-11-16(12-23-18)6-5-15-7-9-17(21)10-8-15/h7-12,14H,13H2,1-4H3","""AuxInfo=1/0/N:1,3,25,26,13,12,15,20,16,19,10,21,23,2,14,11,17,8,5,24,18,9,22,7,4,6/E:(1,2)(3,4)(7,8)(9,10)(11,12)(22,23)/rA:26CCCNCONCNCCCCCCCCFCCCNCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s17;s14d19;s11;s8d21;s7;s4s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-VXRVLSRQRCRDCK_on_P31644_WT,High,ChEMBL30,CHEMBL3681546,Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)c1,VXRVLSRQRCRDCK,VXRVLSRQRCRDCK-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-4-3-5-17(12-15)22-20(16(2)30-26-22)14-29-21-7-6-18(13-24-21)23(27)25-19-8-10-28-11-9-19/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,11,4,3,5,17,16,23,27,24,26,30,28,13,2,10,6,18,22,12,15,7,19,29,21,8,20,25,14,9/E:(8,9)(10,11)/rA:30CCCCCCCNOCCCCOCCCCCONCCCOCCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s7d10;s12;s13;s14;d15;s16;d17;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;s18;s15d28;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-VXSODAOHMBAYGE_on_P31644_WT,High,ChEMBL30,CHEMBL3681449,O=C(NC1CCOCC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,VXSODAOHMBAYGE,VXSODAOHMBAYGE-UHFFFAOYSA-N,"InChI=1S/C22H19F4N3O4/c23-15-4-1-13(2-5-15)19-17(20(33-29-19)22(24,25)26)12-32-18-6-3-14(11-27-18)21(30)28-16-7-9-31-10-8-16/h1-6,11,16H,7-10,12H2,(H,28,30)","""AuxInfo=1/1/N:26,31,11,27,30,12,5,9,6,8,33,15,25,10,28,4,16,13,24,17,2,18,29,19,20,21,32,3,23,1,7,14,22/E:(1,2)(4,5)(7,8)(9,10)(24,25,26)/rA:33OCNCCCOCCCCCCOCCCCFFFONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s22;s16d23;s24;d25;s26;d27;s28;s28;s25d30;s13;s10d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-VXVLSQVFRWSMKF_on_P14867_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826;CHEMBL677034,PMID:15027873,2004.0,PMID:15027873;PMID:15214791,2004,0,0,0,1,0,,=,  8.080;  8.720,8.4,0.32,0.32,2.0,8.4,0.32
-VXVLSQVFRWSMKF_on_P18507_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL680432;CHEMBL681841;CHEMBL682709;CHEMBL678741;CHEMBL677034;CHEMBL680669;CHEMBL678745,PMID:15214791,2004.0,PMID:15027873;PMID:15214791;PMID:15027873;PMID:15214791;PMID:15027873;PMID:15214791;PMID:15214791;PMID:15027873,2004,0,0,0,1,0,,=,  8.080;  9.480;  8.100;  9.000;  8.920;  8.720;  8.890;  8.600,8.724,0.43799999999999994,0.165,8.0,8.805,0.2
-VXVLSQVFRWSMKF_on_P28472_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL682709;CHEMBL680669;CHEMBL680432;CHEMBL677034;CHEMBL681841;CHEMBL678741;CHEMBL678745,PMID:15214791,2004.0,PMID:15027873;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15027873;PMID:15027873;PMID:15027873,2004,0,0,0,1,0,,=,  8.080;  9.000;  8.890;  9.480;  8.720;  8.100;  8.920;  8.600,8.724,0.43799999999999994,0.165,8.0,8.805,0.2
-VXVLSQVFRWSMKF_on_P31644_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL678745,PMID:15027873,2004.0,PMID:15214791;PMID:15027873,2004,0,0,0,1,0,,=,  8.890;  8.600,8.745,0.145,0.145,2.0,8.745,0.145
-VXVLSQVFRWSMKF_on_P34903_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL678741,PMID:15027873,2004.0,PMID:15214791;PMID:15027873,2004,0,0,0,1,0,,=,  9.480;  8.920,9.2,0.28,0.28,2.0,9.2,0.28
-VXVLSQVFRWSMKF_on_P47869_WT,Low,ChEMBL30,CHEMBL416659,Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1,VXVLSQVFRWSMKF,VXVLSQVFRWSMKF-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,16,15,17,26,25,4,3,14,18,5,27,24,7,2,13,6,22,23,12,21,9,28,19,20,10,11,8/E:(3,4)(9,10)/rA:28CCCCCCCOCNNCCCCCCCNNCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;d24;s25;s22d26;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841;CHEMBL682709,PMID:15027873,2004.0,PMID:15027873;PMID:15214791,2004,0,0,0,1,0,,=,  8.100;  9.000,8.55,0.45,0.45,2.0,8.55,0.45
-VXWQZPBYJRRNSX_on_P14867_WT,Low,ChEMBL30,CHEMBL223477,Oc1noc(C2CCNCC2)c1-c1ccccc1Cl,VXWQZPBYJRRNSX,VXWQZPBYJRRNSX-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-4-2-1-3-10(11)12-13(19-17-14(12)18)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:15,16,14,17,7,11,8,10,6,13,18,12,5,2,19,9,3,1,4/E:(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCCCCl/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-VXWQZPBYJRRNSX_on_P18507_WT,Low,ChEMBL30,CHEMBL223477,Oc1noc(C2CCNCC2)c1-c1ccccc1Cl,VXWQZPBYJRRNSX,VXWQZPBYJRRNSX-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-4-2-1-3-10(11)12-13(19-17-14(12)18)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:15,16,14,17,7,11,8,10,6,13,18,12,5,2,19,9,3,1,4/E:(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCCCCl/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-VXWQZPBYJRRNSX_on_P28472_WT,Low,ChEMBL30,CHEMBL223477,Oc1noc(C2CCNCC2)c1-c1ccccc1Cl,VXWQZPBYJRRNSX,VXWQZPBYJRRNSX-UHFFFAOYSA-N,"InChI=1S/C14H15ClN2O2/c15-11-4-2-1-3-10(11)12-13(19-17-14(12)18)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2,(H,17,18)","""AuxInfo=1/1/N:15,16,14,17,7,11,8,10,6,13,18,12,5,2,19,9,3,1,4/E:(5,6)(7,8)/rA:19OCNOCCCCNCCCCCCCCCCl/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s13d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.890;  6.890,6.89,0.0,0.0,2.0,6.89,0.0
-VYBPWFTWAKMZPZ_on_P14867_WT,Low,ChEMBL30,CHEMBL199689,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,VYBPWFTWAKMZPZ,VYBPWFTWAKMZPZ-UHFFFAOYSA-N,"InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H","""AuxInfo=1/0/N:5,6,11,4,10,12,7,24,25,27,2,15,9,13,3,8,14,19,17,20,21,22,23,1,16,18,26/E:(21,22,23)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280;CHEMBL864002,PMID:16392789,2006.0,PMID:16406613;PMID:16392789,2006,0,0,0,1,0,,=,  9.180;  9.180,9.18,0.0,0.0,2.0,9.18,0.0
-VYBPWFTWAKMZPZ_on_P18507_WT,Low,ChEMBL30,CHEMBL199689,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,VYBPWFTWAKMZPZ,VYBPWFTWAKMZPZ-UHFFFAOYSA-N,"InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H","""AuxInfo=1/0/N:5,6,11,4,10,12,7,24,25,27,2,15,9,13,3,8,14,19,17,20,21,22,23,1,16,18,26/E:(21,22,23)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280;CHEMBL864005;CHEMBL861281;CHEMBL864002;CHEMBL864004,PMID:16406613,2006.0,PMID:16406613;PMID:16392789;PMID:16406613;PMID:16392789;PMID:16392789,2006,0,0,0,1,0,,=,  9.180;  9.680;  9.480;  9.180;  9.480,9.4,0.19399999999999998,0.09699999999999999,5.0,9.48,0.2
-VYBPWFTWAKMZPZ_on_P28472_WT,Low,ChEMBL30,CHEMBL199689,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,VYBPWFTWAKMZPZ,VYBPWFTWAKMZPZ-UHFFFAOYSA-N,"InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H","""AuxInfo=1/0/N:5,6,11,4,10,12,7,24,25,27,2,15,9,13,3,8,14,19,17,20,21,22,23,1,16,18,26/E:(21,22,23)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861281;CHEMBL861280;CHEMBL864005;CHEMBL864004;CHEMBL864002,PMID:16406613,2006.0,PMID:16406613;PMID:16406613;PMID:16392789;PMID:16392789;PMID:16392789,2006,0,0,0,1,0,,=,  9.480;  9.180;  9.680;  9.480;  9.180,9.4,0.19399999999999998,0.09699999999999999,5.0,9.48,0.2
-VYBPWFTWAKMZPZ_on_P31644_WT,Low,ChEMBL30,CHEMBL199689,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,VYBPWFTWAKMZPZ,VYBPWFTWAKMZPZ-UHFFFAOYSA-N,"InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H","""AuxInfo=1/0/N:5,6,11,4,10,12,7,24,25,27,2,15,9,13,3,8,14,19,17,20,21,22,23,1,16,18,26/E:(21,22,23)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.680,9.68,0.0,0.0,1.0,9.68,0.0
-VYBPWFTWAKMZPZ_on_P34903_WT,Low,ChEMBL30,CHEMBL199689,N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,VYBPWFTWAKMZPZ,VYBPWFTWAKMZPZ-UHFFFAOYSA-N,"InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H","""AuxInfo=1/0/N:5,6,11,4,10,12,7,24,25,27,2,15,9,13,3,8,14,19,17,20,21,22,23,1,16,18,26/E:(21,22,23)/rA:27NCCCCCCCCCCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281;CHEMBL864004,PMID:16392789,2006.0,PMID:16406613;PMID:16392789,2006,0,0,0,1,0,,=,  9.480;  9.480,9.48,0.0,0.0,2.0,9.48,0.0
-VYDJTWWECBUAEO_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3940130,CC(C)c1c(S(=O)(=O)C(C)c2ccccc2Cl)sc(NC(=O)c2ccccn2)n1,VYDJTWWECBUAEO,VYDJTWWECBUAEO-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O3S2/c1-12(2)17-19(29(26,27)13(3)14-8-4-5-9-15(14)21)28-20(23-17)24-18(25)16-10-6-7-11-22-16/h4-13H,1-3H3,(H,23,24,25)","""AuxInfo=1/1/N:1,3,10,13,14,25,26,12,15,24,27,2,9,11,16,23,4,21,5,19,17,28,29,20,22,7,8,18,6/E:(1,2)(26,27)/CRV:29.6/rA:29CCCCCSOOCCCCCCCCClSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;s9;d11;s12;d13;s14;s11d15;s16;s5;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.430,5.43,0.0,0.0,1.0,5.43,0.0
-VYEPAZHUFFXYDH_on_P14867_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-VYEPAZHUFFXYDH_on_P18507_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111450;CHEMBL1111451;CHEMBL1111449;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.170;  6.290;  6.210;  8.150,6.705,0.835,0.48200000000000004,4.0,6.25,0.06
-VYEPAZHUFFXYDH_on_P28472_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111450;CHEMBL1111451;CHEMBL1111449;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.170;  6.290;  6.210;  8.150,6.705,0.835,0.48200000000000004,4.0,6.25,0.06
-VYEPAZHUFFXYDH_on_P31644_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-VYEPAZHUFFXYDH_on_P34903_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-VYEPAZHUFFXYDH_on_P47869_WT,Low,ChEMBL30,CHEMBL1080575,Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1,VYEPAZHUFFXYDH,VYEPAZHUFFXYDH-UHFFFAOYSA-N,"InChI=1S/C18H17BrN6O/c1-11-15-8-25-18(21-16(22-25)9-23-6-2-3-17(23)26)13-7-12(19)4-5-14(13)24(15)10-20-11/h4-5,7,10H,2-3,6,8-9H2,1H3","""AuxInfo=1/0/N:1,11,12,20,19,10,23,4,8,25,2,21,17,18,3,7,13,16,22,26,15,6,9,24,5,14/rA:26CCCCNNCCNCCCCONCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;s9;s10;s11;s9s12;d13;s7;s5d15;s16;d17;s18;d19;s20;s21;s17d21;s3s18;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-VYMFSHRJSVAJCD_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53387887;CHEMBL1830898,Cc1c(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nccc1,VYMFSHRJSVAJCD,VYMFSHRJSVAJCD-UHFFFAOYSA-N,"InChI=1S/C15H15N5S/c1-9-4-3-7-16-14(9)19-15-18-13-10-8-17-20-11(10)5-2-6-12(13)21-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,20)(H,16,18,19)","""AuxInfo=1/1/N:1,10,20,21,11,9,19,14,2,13,12,8,7,3,5,18,15,6,4,16,17/rA:21CCCNCNCCCCCCCCNNSNCCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s7d12;s13;d14;s12s15;s5s8;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  5.469;  5.470,5.47,0.0,0.0,2.0,5.47,0.0
-VYMILMYEENZHAR_on_O15399_WT,High,ChEMBL30,CHEMBL2397100,COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1,VYMILMYEENZHAR,VYMILMYEENZHAR-UHFFFAOYSA-N,"InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3","""AuxInfo=1/0/N:1,17,14,27,26,28,4,33,5,32,20,21,31,18,11,8,19,25,29,3,6,10,9,15,12,23,30,22,24,2,16,13,7/E:(7,8)(9,10)/rA:33COCCCCOCCCCCOCCOCCCCCNCOCCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d12;s15;s16;s15;s10d18;s19;s20;s9s21;s22;d23;s23;d25;s26;d27;s28;s29;s25d29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309008,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-VYMILMYEENZHAR_on_Q12879_WT,Low,ChEMBL30,CHEMBL2397100,COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1,VYMILMYEENZHAR,VYMILMYEENZHAR-UHFFFAOYSA-N,"InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3","""AuxInfo=1/0/N:1,17,14,27,26,28,4,33,5,32,20,21,31,18,11,8,19,25,29,3,6,10,9,15,12,23,30,22,24,2,16,13,7/E:(7,8)(9,10)/rA:33COCCCCOCCCCCOCCOCCCCCNCOCCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d12;s15;s16;s15;s10d18;s19;s20;s9s21;s22;d23;s23;d25;s26;d27;s28;s29;s25d29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309009,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VYMILMYEENZHAR_on_Q13224_WT,Low,ChEMBL30,CHEMBL2397100,COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1,VYMILMYEENZHAR,VYMILMYEENZHAR-UHFFFAOYSA-N,"InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3","""AuxInfo=1/0/N:1,17,14,27,26,28,4,33,5,32,20,21,31,18,11,8,19,25,29,3,6,10,9,15,12,23,30,22,24,2,16,13,7/E:(7,8)(9,10)/rA:33COCCCCOCCCCCOCCOCCCCCNCOCCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d12;s15;s16;s15;s10d18;s19;s20;s9s21;s22;d23;s23;d25;s26;d27;s28;s29;s25d29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309010,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VYMILMYEENZHAR_on_Q14957_WT,High,ChEMBL30,CHEMBL2397100,COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1,VYMILMYEENZHAR,VYMILMYEENZHAR-UHFFFAOYSA-N,"InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3","""AuxInfo=1/0/N:1,17,14,27,26,28,4,33,5,32,20,21,31,18,11,8,19,25,29,3,6,10,9,15,12,23,30,22,24,2,16,13,7/E:(7,8)(9,10)/rA:33COCCCCOCCCCCOCCOCCCCCNCOCCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;s13;d12;s15;s16;s15;s10d18;s19;s20;s9s21;s22;d23;s23;d25;s26;d27;s28;s29;s25d29;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309011,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-VYPMOKKHRKTQPQ_on_Q14416_WT,High,ChEMBL30,CHEMBL595966,CCCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12,VYPMOKKHRKTQPQ,VYPMOKKHRKTQPQ-UHFFFAOYSA-N,"InChI=1S/C21H25N7/c1-4-5-17-14-23-20-18(13-22)19(6-7-28(17)20)26-8-10-27(11-9-26)21-24-15(2)12-16(3)25-21/h6-7,12,14H,4-5,8-11H2,1-3H3","""AuxInfo=1/0/N:1,19,22,2,3,26,27,13,25,14,24,20,9,5,18,21,4,8,11,7,16,10,6,17,23,12,15,28/E:(2,3)(8,9)(10,11)(15,16)(24,25)/rA:28CCCCCNCCCNCNCCNCNCCCCCNCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;s18;d18;s20;s21;s16d21;s15;s12s24;s11;d26;s4s7s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-VYQXIUVIYICVCM_on_P14867_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3116677,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-VYQXIUVIYICVCM_on_P18507_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3116677;CHEMBL3116681;CHEMBL3116682,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.170;  4.170;  4.090,4.143,0.038,0.027000000000000003,3.0,4.17,0.0
-VYQXIUVIYICVCM_on_P28472_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3116677,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-VYQXIUVIYICVCM_on_P34903_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3116681,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-VYQXIUVIYICVCM_on_P47869_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3116682,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.090,4.09,0.0,0.0,1.0,4.09,0.0
-VYQXIUVIYICVCM_on_P47870_WT,Low,ChEMBL30,CHEMBL450788,COc1cc(O)cc(CCc2cc(O)ccc2)c1,VYQXIUVIYICVCM,VYQXIUVIYICVCM-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,15,10,9,12,7,18,4,11,8,13,5,3,14,6,2/rA:18COCCCOCCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s9;s10;d11;s12;s13;d13;s15;s11d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3116681;CHEMBL3116682,PMID:24462176,2014.0,PMID:24462176,2014,0,1,0,0,0,,=,  4.170;  4.090,4.13,0.04,0.04,2.0,4.13,0.04
-VYRDWGGXTHOMJX_on_P14867_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-VYRDWGGXTHOMJX_on_P18507_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890;  7.370;  7.720;  8.570,7.6370000000000005,0.614,0.354,4.0,7.545,0.415
-VYRDWGGXTHOMJX_on_P28472_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.890;  7.720;  8.570;  7.370,7.638,0.614,0.354,4.0,7.545,0.415
-VYRDWGGXTHOMJX_on_P31644_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-VYRDWGGXTHOMJX_on_P34903_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-VYRDWGGXTHOMJX_on_P47869_WT,Low,ChEMBL30,CHEMBL178856,c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1,VYRDWGGXTHOMJX,VYRDWGGXTHOMJX-UHFFFAOYSA-N,"InChI=1S/C21H20N6O/c1-2-5-16(6-3-1)19-23-24-20-17-14-7-9-15(10-8-14)18(17)21(25-27(19)20)28-13-26-12-4-11-22-26/h1-6,11-12,14-15H,7-10,13H2","""AuxInfo=1/0/N:1,2,28,16,3,27,23,25,22,26,17,15,13,24,21,4,9,10,5,8,11,18,6,7,19,14,20,12/E:(2,3)(5,6)(7,8)(9,10)/rA:28CCCCCNNCCCCOCNCCCNNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;d15;s16;s14d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-VYTGSANRWGQHAA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3934756,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)cc(C)n1,VYTGSANRWGQHAA,VYTGSANRWGQHAA-UHFFFAOYSA-N,"InChI=1S/C25H28FN3O2/c1-16-12-20(13-17(2)27-16)24-22-8-10-30-11-9-29(22)25(28-24)19-6-7-21(26)23(14-19)31-15-18-4-3-5-18/h6-7,12-14,18H,3-5,8-11,15H2,1-2H3","""AuxInfo=1/0/N:1,30,24,23,25,15,16,7,11,8,10,3,28,26,21,2,29,22,14,4,17,6,19,5,13,18,31,27,12,9,20/E:(1,2)(4,5)(12,13)(16,17)/rA:31CCCCCCCCOCCNCCCCCFCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s23;s22s24;s14d19;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-VYTOVCNIMJIGDL_on_O00222_WT,Medium,ChEMBL30,CHEMBL97574,CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VYTOVCNIMJIGDL,VYTOVCNIMJIGDL-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,14,22,15,23,13,21,16,24,10,2,12,20,11,17,19,3,7,4,25,8,9,5,6,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(23,24)(25,26)/rA:27CCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s8;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712883,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  5.910,5.91,0.0,0.0,1.0,5.91,0.0
-VYTOVCNIMJIGDL_on_P41594_WT,Low,ChEMBL30,CHEMBL97574,CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VYTOVCNIMJIGDL,VYTOVCNIMJIGDL-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,14,22,15,23,13,21,16,24,10,2,12,20,11,17,19,3,7,4,25,8,9,5,6,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(23,24)(25,26)/rA:27CCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s8;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL712881,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VYTOVCNIMJIGDL_on_Q13255_WT,Low,ChEMBL30,CHEMBL97574,CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VYTOVCNIMJIGDL,VYTOVCNIMJIGDL-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,14,22,15,23,13,21,16,24,10,2,12,20,11,17,19,3,7,4,25,8,9,5,6,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(23,24)(25,26)/rA:27CCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s8;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL715575,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VYTOVCNIMJIGDL_on_Q14831_WT,Medium,ChEMBL30,CHEMBL97574,CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VYTOVCNIMJIGDL,VYTOVCNIMJIGDL-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,14,22,15,23,13,21,16,24,10,2,12,20,11,17,19,3,7,4,25,8,9,5,6,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(23,24)(25,26)/rA:27CCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s8;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712882,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-VYTOVCNIMJIGDL_on_Q14833_WT,Medium,ChEMBL30,CHEMBL97574,CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O,VYTOVCNIMJIGDL,VYTOVCNIMJIGDL-UHFFFAOYSA-N,"InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,14,22,15,23,13,21,16,24,10,2,12,20,11,17,19,3,7,4,25,8,9,5,6,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(23,24)(25,26)/rA:27CCCCOOCCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;s10;s11;d12;s13;d14;s15;s12d16;s17;s18;s11d19;s20;d21;s22;s19d23;s8;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL872788,PMID:9873635,1998.0,PMID:9873635,1998,1,0,0,0,0,,=,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-VYUFFNORDHWOJK_on_P41594_WT,High,ChEMBL30,CHEMBL387976,CCCCc1nc2c(sc3c2c(N(C)C)ccn3)c(=O)n1-c1ccc(CC)cc1,VYUFFNORDHWOJK,VYUFFNORDHWOJK-UHFFFAOYSA-N,"InChI=1S/C23H26N4OS/c1-5-7-8-18-25-20-19-17(26(3)4)13-14-24-22(19)29-21(20)23(28)27(18)16-11-9-15(6-2)10-12-16/h9-14H,5-8H2,1-4H3","""AuxInfo=1/0/N:1,27,14,15,2,26,3,4,24,28,23,29,16,17,25,22,12,5,11,7,8,10,19,18,6,13,21,20,9/E:(3,4)(9,10)(11,12)/rA:29CCCCCNCCSCCCNCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s7d10;s11;s12;s13;s13;d12;s16;s10d17;s8;d19;s5s19;s21;d22;s23;d24;s25;s26;s25;s22d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-VYUFFNORDHWOJK_on_Q13255_WT,High,ChEMBL30,CHEMBL387976,CCCCc1nc2c(sc3c2c(N(C)C)ccn3)c(=O)n1-c1ccc(CC)cc1,VYUFFNORDHWOJK,VYUFFNORDHWOJK-UHFFFAOYSA-N,"InChI=1S/C23H26N4OS/c1-5-7-8-18-25-20-19-17(26(3)4)13-14-24-22(19)29-21(20)23(28)27(18)16-11-9-15(6-2)10-12-16/h9-14H,5-8H2,1-4H3","""AuxInfo=1/0/N:1,27,14,15,2,26,3,4,24,28,23,29,16,17,25,22,12,5,11,7,8,10,19,18,6,13,21,20,9/E:(3,4)(9,10)(11,12)/rA:29CCCCCNCCSCCCNCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;s7d10;s11;s12;s13;s13;d12;s16;s10d17;s8;d19;s5s19;s21;d22;s23;d24;s25;s26;s25;s22d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-VYVHXEDNZYVVKU_on_Q05586_WT,Low,ChEMBL30,CHEMBL3966561,Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,VYVHXEDNZYVVKU,VYVHXEDNZYVVKU-UHFFFAOYSA-N,"InChI=1S/C18H12ClF3N6O/c1-10-2-3-15-25-12(8-27-14(19)5-13(26-27)18(20,21)22)4-16(29)28(15)17(10)11-6-23-9-24-7-11/h2-7,9H,8H2,1H3","""AuxInfo=1/0/N:1,29,28,13,23,5,9,15,7,2,4,14,18,24,27,11,3,19,25,20,21,22,6,8,26,17,16,10,12/E:(6,7)(20,21,22)(23,24)/rA:29CCCCCNCNCNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-VYVHXEDNZYVVKU_on_Q12879_WT,Low,ChEMBL30,CHEMBL3966561,Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1,VYVHXEDNZYVVKU,VYVHXEDNZYVVKU-UHFFFAOYSA-N,"InChI=1S/C18H12ClF3N6O/c1-10-2-3-15-25-12(8-27-14(19)5-13(26-27)18(20,21)22)4-16(29)28(15)17(10)11-6-23-9-24-7-11/h2-7,9H,8H2,1H3","""AuxInfo=1/0/N:1,29,28,13,23,5,9,15,7,2,4,14,18,24,27,11,3,19,25,20,21,22,6,8,26,17,16,10,12/E:(6,7)(20,21,22)(23,24)/rA:29CCCCCNCNCNCOCCCNNCCFFFCCClNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-VYWADYKBCDKIHN_on_P41594_WT,High,ChEMBL30,CHEMBL247746,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cccnc1,VYWADYKBCDKIHN,VYWADYKBCDKIHN-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O3/c22-15-7-8-18(24-19(26)13-4-3-9-23-11-13)14(10-15)12-25-20(27)16-5-1-2-6-17(16)21(25)28/h1-11H,12H2,(H,24,26)","""AuxInfo=1/1/N:18,19,25,24,17,20,6,5,26,9,28,11,23,10,7,16,15,4,2,21,13,8,27,3,12,1,22,14/E:(1,2)(5,6)(16,17)(20,21)(27,28)/rA:28OCNCCCCClCCCNCOCCCCCCCOCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  4.460,4.46,0.0,0.0,1.0,4.46,0.0
-VZCFCMVPYUTSDC_on_P41594_WT,Low,ChEMBL30,CHEMBL245288,COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O,VZCFCMVPYUTSDC,VZCFCMVPYUTSDC-UHFFFAOYSA-N,"InChI=1S/C23H17ClN2O4/c1-30-20-9-5-4-8-18(20)21(27)25-19-11-10-15(24)12-14(19)13-26-22(28)16-6-2-3-7-17(16)23(26)29/h2-12H,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,26,27,6,5,25,28,7,4,14,13,17,19,18,15,24,23,8,12,3,9,29,21,16,11,20,10,30,22,2/E:(2,3)(6,7)(16,17)(22,23)(28,29)/rA:30COCCCCCCCONCCCCClCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s18;s19;s20;d21;s21;d23;s24;d25;s26;s23d27;s20s24;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-VZDMQRXAVMHRKZ_on_P14867_WT,Medium,ChEMBL30,CHEMBL147842,O=C(c1ccc(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,VZDMQRXAVMHRKZ,VZDMQRXAVMHRKZ-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-7-5-13(6-8-14)21(29)27-10-9-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-3-1-2-4-17(15)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,25,22,4,9,5,8,12,11,15,26,3,6,19,14,20,13,18,16,2,28,7,21,17,30,10,27,1,29/E:(5,6)(7,8)/rA:30OCCCCCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-VZDMQRXAVMHRKZ_on_P47869_WT,Medium,ChEMBL30,CHEMBL147842,O=C(c1ccc(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2,VZDMQRXAVMHRKZ,VZDMQRXAVMHRKZ-UHFFFAOYSA-N,"InChI=1S/C22H16F2N4O2/c23-14-7-5-13(6-8-14)21(29)27-10-9-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-3-1-2-4-17(15)24/h1-8,12H,9-11H2,(H,26,30)","""AuxInfo=1/1/N:24,23,25,22,4,9,5,8,12,11,15,26,3,6,19,14,20,13,18,16,2,28,7,21,17,30,10,27,1,29/E:(5,6)(7,8)/rA:30OCCCCCFCCNCCCCCCNCCCFCCCCCNCON/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;d13;s10s14;s14;d16;s17;s18;d19;s20;s20;d22;s23;s19d24;d18;s16s26;s27;s28;s13d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-VZDSEFUNSQKPKU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978247,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(C(F)(F)F)CC2)c3)cn1,VZDSEFUNSQKPKU,VZDSEFUNSQKPKU-UHFFFAOYSA-N,"InChI=1S/C21H22F3N5O/c1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30)","""AuxInfo=1/1/N:1,15,14,20,26,19,27,28,6,29,17,3,16,4,21,13,5,12,7,8,22,23,24,25,9,30,11,2,18,10/E:(4,5)(6,7)(22,23,24)/rA:30CNCCCCCCNONCCCCCCNCCCCFFFCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s22;s22;s21;s18s26;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-VZHZIEJZTLHSBW_on_Q14833_WT,Low,ChEMBL30,CHEMBL1922742,O=C(COc1ccccc1Br)c1ccc(NCCc2cccnc2)nc1,VZHZIEJZTLHSBW,VZHZIEJZTLHSBW-UHFFFAOYSA-N,"InChI=1S/C20H18BrN3O2/c21-17-5-1-2-6-19(17)26-14-18(25)16-7-8-20(24-13-16)23-11-9-15-4-3-10-22-12-15/h1-8,10,12-13H,9,11,14H2,(H,23,24)","""AuxInfo=1/1/N:8,7,21,20,9,6,13,14,18,22,17,24,26,3,19,12,10,2,5,15,11,23,16,25,1,4/rA:26OCCOCCCCCCBrCCCCNCCCCCCNCNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s15;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1925519,PMID:22030026,2011.0,PMID:22030026,2011,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-VZJHTQZXSTXJNO_on_P41594_WT,Low,ChEMBL30,CHEMBL3786530,OCCSc1nc(NC2Cc3c(cccc3)C2)c2CCCCc2n1,VZJHTQZXSTXJNO,VZJHTQZXSTXJNO-UHFFFAOYSA-N,"InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)","""AuxInfo=1/1/N:14,15,20,21,13,16,19,22,2,3,17,10,12,11,9,18,23,7,5,8,24,6,1,4/E:(1,2)(5,6)(11,12)(13,14)/rA:24OCCSCNCNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;d7;s18;s19;s20;s21;s18s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3788050,PMID:26988308,2016.0,PMID:26988308,2016,1,0,0,0,0,,<,  5.041,5.041,0.0,0.0,1.0,5.041,0.0
-VZJHTQZXSTXJNO_on_Q13255_WT,High,ChEMBL30,CHEMBL3786530,OCCSc1nc(NC2Cc3c(cccc3)C2)c2CCCCc2n1,VZJHTQZXSTXJNO,VZJHTQZXSTXJNO-UHFFFAOYSA-N,"InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)","""AuxInfo=1/1/N:14,15,20,21,13,16,19,22,2,3,17,10,12,11,9,18,23,7,5,8,24,6,1,4/E:(1,2)(5,6)(11,12)(13,14)/rA:24OCCSCNCNCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;d7;s18;s19;s20;s21;s18s22;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3788049,PMID:26988308,2016.0,PMID:26988308,2016,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-VZKRZUPJCVFVGR_on_O00591_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_O14764_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P14867_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P18505_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P18507_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P28472_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P31644_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P34903_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P47869_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P47870_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P48169_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_P78334_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_Q16445_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKRZUPJCVFVGR_on_Q99928_WT,Low,ChEMBL30,CHEMBL77226,Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,VZKRZUPJCVFVGR,VZKRZUPJCVFVGR-UHFFFAOYSA-N,"InChI=1S/C16H13N3/c1-11-2-5-16-15(8-11)18-10-19(16)13-3-4-14-12(9-13)6-7-17-14/h2-10,17H,1H3","""AuxInfo=1/0/N:1,3,16,15,4,19,18,7,12,9,2,13,11,14,6,5,17,8,10/rA:19CCCCCCCNCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s5s9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-VZKZTIZJJDKWCL_on_Q14416_WT,High,ChEMBL30,CHEMBL4075697,Cc1nc(C)c(Oc2c(F)cc(-c3c(C(C)C)c4nnc(CC5CC5)n4cc3)cc2)cc1,VZKZTIZJJDKWCL,VZKZTIZJJDKWCL-UHFFFAOYSA-N,"InChI=1S/C26H27FN4O/c1-15(2)25-20(11-12-31-24(13-18-6-7-18)29-30-26(25)31)19-8-10-23(21(27)14-19)32-22-9-5-16(3)28-17(22)4/h5,8-12,14-15,18H,6-7,13H2,1-4H3","""AuxInfo=1/0/N:16,17,1,5,32,24,25,29,31,30,28,27,22,11,15,2,4,23,12,13,9,6,8,21,14,18,10,3,20,19,26,7/E:(1,2)(6,7)/rA:32CCNCCCOCCFCCCCCCCCNNCCCCCNCCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;s9;s9;d11;s12;d13;s14;s15;s15;s14;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s13d27;s12;s8d29;s6;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  7.970;  7.550;  7.600,7.707000000000001,0.187,0.132,3.0,7.6,0.05
-VZOYVGQAPOCCMI_on_Q14833_WT,High,ChEMBL30,CHEMBL1209588,Nc1cccc(C=Cc2ccccc2)n1,VZOYVGQAPOCCMI,VZOYVGQAPOCCMI-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H,(H2,14,15)","""AuxInfo=1/1/N:12,11,13,4,10,14,5,3,8,7,9,6,2,1,15/E:(2,3)(5,6)/rA:15NCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-VZQGPGKNQGUJMT_on_P41594_WT,High,ChEMBL30,CHEMBL202794,CCN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1,VZQGPGKNQGUJMT,VZQGPGKNQGUJMT-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-6H,2,7H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,2,15,16,14,19,4,17,13,5,8,10,18,12,7,9,3,6,11/rA:19CCNCCONCNCONCCCCCClC/rB:s1;s2;s3;s4;d5;s5;s3w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-VZYVQEMZRNNEBB_on_P41594_WT,High,ChEMBL30,CHEMBL3702423,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccco4)C3=C2)cn1,VZYVQEMZRNNEBB,VZYVQEMZRNNEBB-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3-7,10-11,13-14H,2,8-9,12H2,1H3","""AuxInfo=1/0/N:1,2,17,22,16,18,21,13,12,23,26,8,4,27,3,14,15,19,25,20,6,9,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-VZYVQEMZRNNEBB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702423,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccco4)C3=C2)cn1,VZYVQEMZRNNEBB,VZYVQEMZRNNEBB-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3-7,10-11,13-14H,2,8-9,12H2,1H3","""AuxInfo=1/0/N:1,2,17,22,16,18,21,13,12,23,26,8,4,27,3,14,15,19,25,20,6,9,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-WAABMYGFDUQYHB_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,52943881;CHEMBL1290787,O=C(COCc1ccccc1)N1CCN(c2cc(Cl)ccn2)CC1,WAABMYGFDUQYHB,WAABMYGFDUQYHB-UHFFFAOYSA-N,"InChI=1S/C18H20ClN3O2/c19-16-6-7-20-17(12-16)21-8-10-22(11-9-21)18(23)14-24-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2","""AuxInfo=1/0/N:9,8,10,7,11,20,21,14,23,13,24,17,5,3,6,18,16,2,19,22,15,12,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCOCCCCCCCNCCNCCCClCCNCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:539642;CHEMBL1292204,PMID:21067920,2010.0,PubChemAID:539642;PMID:21067920,2011;2010,0,0;1,0,0,1;0,,=,  6.244;  6.240,6.242000000000001,0.002,0.002,2.0,6.242000000000001,0.002
-WADCFRMQUXZHQS_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951887;16118818,Cc1ccc(-n2ccc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,WADCFRMQUXZHQS,WADCFRMQUXZHQS-UHFFFAOYSA-N,"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-9-8-13-14-16(21(2)3)19-10-20-17(14)24-15(13)18(22)23/h4-10H,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,8,7,19,2,5,9,13,10,14,12,21,18,20,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCCCCSCCCNCCNCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  8.170;  8.174,8.172,0.002,0.002,2.0,8.172,0.002
-WAEXHEOACCAOSS_on_O00591_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_O14764_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P14867_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P18505_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P18507_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P28472_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P31644_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P34903_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P47869_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P47870_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P48169_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_P78334_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_Q16445_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAEXHEOACCAOSS_on_Q99928_WT,Low,ChEMBL30,CHEMBL327707,Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2,WAEXHEOACCAOSS,WAEXHEOACCAOSS-UHFFFAOYSA-N,"InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)","""AuxInfo=1/1/N:20,19,21,7,6,10,8,17,14,4,5,15,2,12,9,18,3,13,11,1,16/rA:21OCNCCCCCFCNCNCCOCFCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s2s5;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WAHPCLQLMAMVBF_on_P14867_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-WAHPCLQLMAMVBF_on_P18507_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.190;  6.410;  6.260,6.62,0.408,0.28800000000000003,3.0,6.41,0.15
-WAHPCLQLMAMVBF_on_P28472_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL830421;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.260;  7.190;  6.410,6.62,0.408,0.28800000000000003,3.0,6.41,0.15
-WAHPCLQLMAMVBF_on_P31644_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-WAHPCLQLMAMVBF_on_P34903_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-WAHPCLQLMAMVBF_on_P47869_WT,Low,ChEMBL30,CHEMBL359616,CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1,WAHPCLQLMAMVBF,WAHPCLQLMAMVBF-UHFFFAOYSA-N,"InChI=1S/C24H24N5O2/c1-2-30-28-15-7-6-10-19(28)31-24-21-17-13-11-16(12-14-17)20(21)23-26-25-22(29(23)27-24)18-8-4-3-5-9-18/h3-10,15-17H,2,11-14H2,1H3/q+1","""AuxInfo=1/0/N:1,2,14,13,15,29,30,12,16,28,24,26,23,27,31,25,22,11,5,20,21,10,19,7,17,18,8,4,9,3,6/E:(4,5)(8,9)(11,12)(13,14)/CRV:28+1/rA:31CCON+COCNNCCCCCCCNNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s5;d28;s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-WAMORTISASPDPO_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647568,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2F)c1,WAMORTISASPDPO,WAMORTISASPDPO-UHFFFAOYSA-N,"InChI=1S/C21H18F2N4O2S/c1-3-27-12-24-20-17(11-25-26-21(20)27)13-5-8-18(22)16(9-13)15-7-6-14(10-19(15)23)30(28,29)4-2/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,26,2,25,13,20,19,14,30,27,10,4,12,21,18,17,11,15,28,6,7,16,29,5,9,8,3,23,24,22/E:(28,29)/CRV:30.6/rA:30CCNCNCCNNCCCCCCFCCCCCSOOCCCCFC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s28;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.740,7.74,0.0,0.0,1.0,7.74,0.0
-WAOBWKDFKARWAM_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647545,COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCC2)ccc1F,WAOBWKDFKARWAM,WAOBWKDFKARWAM-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O3S/c1-31-21-11-16(32(2,29)30)7-8-17(21)18-10-14(6-9-20(18)24)19-12-26-27-23-22(19)25-13-28(23)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,27,26,28,29,10,11,30,14,4,17,23,15,25,5,12,13,16,31,3,21,20,32,22,18,19,24,8,9,2,6/E:(4,5)(29,30)/CRV:32.6/rA:32COCCCSCOOCCCCCCCCNNCCNCNCCCCCCCF/rB:s1;s2;d3;s4;s5;s6;d6;d6;d5;s10;s3d11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s20s23;s24;s25;s26;s25s27;d15;s29;s13d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-WAOGQORHVHHTAW_on_P41594_WT,High,ChEMBL30,CHEMBL1290108,O=C(COCc1ncccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,WAOGQORHVHHTAW,WAOGQORHVHHTAW-UHFFFAOYSA-N,"InChI=1S/C18H19Cl2N3O2/c19-14-4-5-17(16(20)11-14)22-7-9-23(10-8-22)18(24)13-25-12-15-3-1-2-6-21-15/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:10,9,11,18,17,8,14,24,13,25,21,5,3,19,6,22,16,2,20,23,7,15,12,1,4/E:(7,8)(9,10)/rA:25OCCOCCNCCCCNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-WAPAOOACIDZLKD_on_P14867_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-WAPAOOACIDZLKD_on_P18507_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058330;CHEMBL3058329;CHEMBL3058332;CHEMBL3058331;CHEMBL3058328;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.810;  7.940;  8.740;  7.790;  8.770;  7.340,8.065,0.522,0.233,6.0,7.875,0.31
-WAPAOOACIDZLKD_on_P28472_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058330;CHEMBL3058328;CHEMBL3058331;CHEMBL3058329;CHEMBL3058332;CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.810;  8.770;  7.790;  7.940;  8.740;  7.340,8.065,0.522,0.233,6.0,7.875,0.31
-WAPAOOACIDZLKD_on_P31644_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-WAPAOOACIDZLKD_on_P34903_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.810,7.81,0.0,0.0,1.0,7.81,0.0
-WAPAOOACIDZLKD_on_P47869_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-WAPAOOACIDZLKD_on_P48169_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-WAPAOOACIDZLKD_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261918,CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1,WAPAOOACIDZLKD,WAPAOOACIDZLKD-UHFFFAOYSA-N,"InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)19-20-17-6-4-10-25(17)21(27)15-12-14(18-7-5-11-29-18)8-9-16(15)26(20)13-24-19/h5,7-9,11-13,17H,4,6,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,12,24,11,23,20,19,13,25,27,29,21,17,18,10,22,8,9,15,6,2,30,14,28,16,7,26,5/E:(1,2,3)/rA:30CCCCOCOCCCCCCNCOCCCCCCCCCOCNCN/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s11;s12;s10s13;s14;d15;s15;d17;s18;d19;s20;s21;d22;s23;d24;s22s25;s17d21;s9s18;s28;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-WASPFBKLPKZFNP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL106561,CCOC(=O)C(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,WASPFBKLPKZFNP,WASPFBKLPKZFNP-UHFFFAOYSA-N,"InChI=1S/C19H21F3N2O5S/c1-3-28-18(25)14(2)29-17-8-4-7-16(10-17)24(12-15-6-5-9-23-11-15)30(26,27)13-19(20,21)22/h4-11,14H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,7,2,11,20,21,12,10,19,30,17,15,25,6,16,13,9,4,26,27,28,29,18,14,5,23,24,3,8,22/E:(20,21,22)(26,27)/CRV:30.6/rA:30CCOCOCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;d22;d22;s22;s25;s26;s26;s26;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-WAUCNDQNILDAKL_on_Q05586_WT,Low,ChEMBL30,CHEMBL436521,CS(=O)(=O)Nc1ccc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc2c1,WAUCNDQNILDAKL,WAUCNDQNILDAKL-UHFFFAOYSA-N,"InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,21,20,22,19,23,7,8,15,24,14,25,17,28,12,18,16,6,9,27,11,10,26,5,13,3,4,2/E:(3,4)(5,6)(9,10)(11,12)(26,27)/CRV:28.6/rA:28CSOONCCCCNCCNCCCCCCCCCCCCNCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;d11;s9s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567;CHEMBL1805123;CHEMBL1805126;CHEMBL1805133,PMID:15056006,2004.0,PMID:15056006;PMID:15056006;PMID:21453995;PMID:21453995;PMID:21453995,2004;2004;2011;2011;2011,1;0;1;1;0,0,0,0;1;0;0;1,0,,=,  8.720;  9.000;  8.850;  7.300;  9.000,8.574,0.6459999999999999,0.32299999999999995,5.0,8.85,0.15
-WAUCNDQNILDAKL_on_Q13224_WT,Low,ChEMBL30,CHEMBL436521,CS(=O)(=O)Nc1ccc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc2c1,WAUCNDQNILDAKL,WAUCNDQNILDAKL-UHFFFAOYSA-N,"InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,21,20,22,19,23,7,8,15,24,14,25,17,28,12,18,16,6,9,27,11,10,26,5,13,3,4,2/E:(3,4)(5,6)(9,10)(11,12)(26,27)/CRV:28.6/rA:28CSOONCCCCNCCNCCCCCCCCCCCCNCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;d11;s9s26;s6d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1805126;CHEMBL1805123;CHEMBL752567;CHEMBL715186;CHEMBL1805133,PMID:15056006,2004.0,PMID:21453995;PMID:21453995;PMID:15056006;PMID:15056006;PMID:21453995,2011;2011;2004;2004;2011,1;1;0;1;0,0,0,0;0;1;0;1,0,,=,  7.300;  8.850;  9.000;  8.720;  9.000,8.574,0.6459999999999999,0.32299999999999995,5.0,8.85,0.15
-WAWJOPVEBNGYSF_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223385;49865453,O=C(Nc1ccc(CS(=O)(=O)c2c(Cl)cccc2)cc1)c1ccccn1,WAWJOPVEBNGYSF,WAWJOPVEBNGYSF-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O3S/c20-16-5-1-2-7-18(16)26(24,25)13-14-8-10-15(11-9-14)22-19(23)17-6-3-4-12-21-17/h1-12H,13H2,(H,22,23)","""AuxInfo=1/1/N:16,17,23,24,15,22,18,6,19,5,20,25,8,7,4,13,21,12,2,14,26,3,1,10,11,9/E:(8,9)(10,11)(24,25)/CRV:26.6/rA:26OCNCCCCCSOOCCClCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;s13;d15;s16;s12d17;s7;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  5.660;  5.664,5.662000000000001,0.002,0.002,2.0,5.662000000000001,0.002
-WAZLYIKNFIGBOD_on_O00591_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_O14764_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P14867_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P18505_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P18507_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P28472_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P31644_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P34903_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P47869_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P47870_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P48169_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_P78334_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_Q16445_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WAZLYIKNFIGBOD_on_Q99928_WT,Low,ChEMBL30,CHEMBL365808,COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1,WAZLYIKNFIGBOD,WAZLYIKNFIGBOD-UHFFFAOYSA-N,"InChI=1S/C17H14N4O4/c1-24-13-8-7-10(9-14(13)25-2)15-16(22)20-12-6-4-3-5-11(12)18-17(23)21(20)19-15/h3-9H,1-2H3,(H,18,23)","""AuxInfo=1/1/N:1,6,19,18,20,17,24,25,7,8,15,16,3,4,9,22,12,14,10,21,11,23,13,2,5/rA:25COCCOCCCCNNCONCCCCCCNCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;d9;s10;s11;d12;s12;s14;d15;s16;d17;s18;s15d19;s11s16;s9s21;d22;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WBFUEKKZEAZFII_on_Q12879_WT,Low,ChEMBL30,CHEMBL159818,N=C(NCc1cc(Cl)ccc1)c1cc(Cl)c(Cl)cc1,WBFUEKKZEAZFII,WBFUEKKZEAZFII-UHFFFAOYSA-N,"InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)","""AuxInfo=1/1/N:10,11,9,19,18,6,13,4,5,12,7,16,14,2,8,17,15,1,3/rA:19NCNCCCCClCCCCCCClCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s14;d14;s16;s16;s12d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749389,PMID:12639561,2003.0,PMID:12639561,2003,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WBFUEKKZEAZFII_on_Q13224_WT,Medium,ChEMBL30,CHEMBL159818,N=C(NCc1cc(Cl)ccc1)c1cc(Cl)c(Cl)cc1,WBFUEKKZEAZFII,WBFUEKKZEAZFII-UHFFFAOYSA-N,"InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)","""AuxInfo=1/1/N:10,11,9,19,18,6,13,4,5,12,7,16,14,2,8,17,15,1,3/rA:19NCNCCCCClCCCCCCClCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s14;d14;s16;s16;s12d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  6.960;  7.800,7.38,0.42,0.42,2.0,7.38,0.42
-WBGGGVOSEBJODT_on_O00591_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_O14764_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P14867_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P18505_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P18507_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P28472_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P31644_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P34903_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P47869_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P47870_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P48169_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_P78334_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_Q16445_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBGGGVOSEBJODT_on_Q99928_WT,Low,ChEMBL30,CHEMBL129742,CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1,WBGGGVOSEBJODT,WBGGGVOSEBJODT-UHFFFAOYSA-N,"InChI=1S/C16H16N2O/c1-16(2,3)15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,13,18,12,7,10,5,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.450,6.45,0.0,0.0,1.0,6.45,0.0
-WBILXYYUMRUDBZ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257298,CN(C)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C,WBILXYYUMRUDBZ,WBILXYYUMRUDBZ-UHFFFAOYSA-N,"InChI=1S/C21H31N5O2S/c1-21(2,3)18-13(10-25(4)5)11-26(24-18)12-16(27)23-20-17(19(22)28)14-8-6-7-9-15(14)29-20/h11H,6-10,12H2,1-5H3,(H2,22,28)(H,23,27)","""AuxInfo=1/1/N:27,28,29,1,3,21,20,22,19,4,6,8,5,17,18,9,13,25,14,12,26,15,11,24,2,7,10,16,23/E:(1,2,3)(4,5)/rA:29CNCCCCNCCONCCCNOCCCCCCSNCCCCC/rB:s1;s2;s2;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s7;s5d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-WBKFWXAWWIWBIB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106954,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(F)c3)n2)cc(C)n1,WBKFWXAWWIWBIB,WBKFWXAWWIWBIB-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-12-8-16(9-13(2)26-12)20-18-6-7-29-14(3)11-28(18)21(27-20)15-4-5-19(17(23)10-15)30-22(24)25/h4-5,8-10,14,22H,6-7,11H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,17,7,8,3,27,25,12,2,28,10,15,4,23,6,18,5,14,20,24,21,22,30,26,13,9,19/E:(1,2)(8,9)(12,13)(24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-WBLHDHRHPGKKCI_on_P41594_WT,Low,ChEMBL30,CHEMBL1951663,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(C#N)cc2)c1=O,WBLHDHRHPGKKCI,WBLHDHRHPGKKCI-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS/c1-22(2)15-7-9-21-18-16(15)14-8-10-23(19(24)17(14)25-18)13-5-3-12(11-20)4-6-13/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,22,17,23,9,13,8,14,20,19,16,12,4,5,11,6,24,21,7,2,15,25,10/E:(1,2)(3,4)(5,6)/rA:25CNCCCCNCCSCCCCNCCCCCNCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;t20;s19;s16d22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1954373,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-WBLHDHRHPGKKCI_on_Q13255_WT,High,ChEMBL30,CHEMBL1951663,CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(C#N)cc2)c1=O,WBLHDHRHPGKKCI,WBLHDHRHPGKKCI-UHFFFAOYSA-N,"InChI=1S/C19H14N4OS/c1-22(2)15-7-9-21-18-16(15)14-8-10-23(19(24)17(14)25-18)13-5-3-12(11-20)4-6-13/h3-10H,1-2H3","""AuxInfo=1/0/N:1,3,18,22,17,23,9,13,8,14,20,19,16,12,4,5,11,6,24,21,7,2,15,25,10/E:(1,2)(3,4)(5,6)/rA:25CNCCCCNCCSCCCCNCCCCCNCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;t20;s19;s16d22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-WBMHQMQALJDGHI_on_P41594_WT,High,ChEMBL30,CHEMBL2164557,Clc1ccc(-c2nc(-c3ncccc3)no2)c(Cl)c1,WBMHQMQALJDGHI,WBMHQMQALJDGHI-UHFFFAOYSA-N,InChI=1S/C13H7Cl2N3O/c14-8-4-5-9(10(15)7-8)13-17-12(18-19-13)11-3-1-2-6-16-11/h1-7H,"""AuxInfo=1/0/N:13,12,14,3,4,11,19,2,5,17,9,8,6,1,18,10,7,15,16/rA:19ClCCCCCNCCNCCCCNOCClC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s6s15;s5;s17;s2d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WBMXFMYKWFFZMK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3949512,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)CC2)c3F)cn1,WBMXFMYKWFFZMK,WBMXFMYKWFFZMK-UHFFFAOYSA-N,"InChI=1S/C20H21F2N5O/c1-26-10-13(9-24-26)16-8-17(20(23)28)25-19-15(16)3-2-12(18(19)22)11-27-6-4-14(21)5-7-27/h2-3,8-10,14H,4-7,11H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,14,20,23,19,24,6,27,3,17,16,4,21,13,5,7,25,12,8,22,26,9,28,11,2,18,10/E:(4,5)(6,7)/rA:28CNCCCCCCNONCCCCCCNCCCFCCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s21;s18s23;s12d16;s25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-WBNYTWXVORUJBL_on_P41594_WT,High,ChEMBL30,CHEMBL3702386,CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,WBNYTWXVORUJBL,WBNYTWXVORUJBL-UHFFFAOYSA-N,"InChI=1S/C19H19IN4O/c1-12(2)24-11-13(9-22-24)17-8-18-15-4-3-5-16(20)14(15)6-7-23(18)19(25)10-21-17/h3-5,8-9,11-12H,6-7,10H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,14,13,23,24,9,5,2,6,15,16,20,7,22,10,21,8,25,12,4,11/E:(1,2)/rA:25CCCNCCCNCCONCCCCCCCCICCCN/rB:s1;s2;s2;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s12s16;s7w?22;s6;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-WBNYTWXVORUJBL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702386,CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,WBNYTWXVORUJBL,WBNYTWXVORUJBL-UHFFFAOYSA-N,"InChI=1S/C19H19IN4O/c1-12(2)24-11-13(9-22-24)17-8-18-15-4-3-5-16(20)14(15)6-7-23(18)19(25)10-21-17/h3-5,8-9,11-12H,6-7,10H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,14,13,23,24,9,5,2,6,15,16,20,7,22,10,21,8,25,12,4,11/E:(1,2)/rA:25CCCNCCCNCCONCCCCCCCCICCCN/rB:s1;s2;s2;s4;d5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s12s16;s7w?22;s6;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-WBQQVQZWFWUFTP_on_P41594_WT,High,ChEMBL30,CHEMBL2071581,O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1ccc(F)cc1,WBQQVQZWFWUFTP,WBQQVQZWFWUFTP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3O2/c19-13-4-6-15(7-5-13)23-10-12(9-16(23)24)18-21-17(22-25-18)11-2-1-3-14(20)8-11/h1-8,12H,9-10H2","""AuxInfo=1/0/N:10,9,11,21,24,20,25,14,3,17,8,4,22,12,19,2,7,5,23,13,6,15,18,1,16/E:(4,5)(6,7)/rA:25OCCCCNCCCCCCFCNOCNCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-WBRPSHURBOTREI_on_Q14416_WT,High,ChEMBL30,CHEMBL3885312,FC(F)(F)c1c(OCC2(c3ccc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12,WBRPSHURBOTREI,WBRPSHURBOTREI-UHFFFAOYSA-N,"InChI=1S/C21H19ClF3N3O/c22-15-5-3-14(4-6-15)20(8-9-20)12-29-16-7-10-28-17(11-13-1-2-13)26-27-19(28)18(16)21(23,24)25/h3-7,10,13H,1-2,8-9,11-12H2","""AuxInfo=1/0/N:25,26,11,16,12,15,19,17,18,20,23,8,24,10,13,6,22,5,29,9,2,14,1,3,4,27,28,21,7/E:(1,2)(3,4)(5,6)(8,9)(23,24,25)/rA:29FCFFCCOCCCCCCClCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;s9s17;s6;d19;s20;s21;s22;s23;s24;s24s25;d22;s27;s5s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876529,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-WBRWZHFWROBDAS_on_Q14416_WT,High,ChEMBL30,CHEMBL4090293,NC1(C(=O)O)CC(NC(=O)c2ccccc2F)C2C(C(=O)O)C21,WBRWZHFWROBDAS,WBRWZHFWROBDAS-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-4-2-1-3-6(7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,16,7,18,19,23,9,20,3,2,17,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023220;CHEMBL4023217,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  7.770;  6.660,7.215,0.555,0.555,2.0,7.215,0.555
-WBRWZHFWROBDAS_on_Q14832_WT,High,ChEMBL30,CHEMBL4090293,NC1(C(=O)O)CC(NC(=O)c2ccccc2F)C2C(C(=O)O)C21,WBRWZHFWROBDAS,WBRWZHFWROBDAS-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-4-2-1-3-6(7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:13,14,12,15,6,11,16,7,18,19,23,9,20,3,2,17,1,8,10,21,22,4,5/E:(20,21)(22,23)/rA:23NCCOOCCNCOCCCCCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023224;CHEMBL4023218,PMID:29350927,2018.0,PMID:29350927,2018,0,1;0,0,0;1,0,,=,  8.290;  8.240,8.265,0.025,0.025,2.0,8.265,0.025
-WBUGNEOKPPFOQE_on_P41594_WT,Low,ChEMBL30,CHEMBL1784073,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2F)c1=O,WBUGNEOKPPFOQE,WBUGNEOKPPFOQE-UHFFFAOYSA-N,"InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)12-5-4-10(26-2)7-11(12)19/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,19,18,3,23,9,15,20,24,17,6,13,12,5,7,26,25,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCCFCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-WBUGNEOKPPFOQE_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54582005;CHEMBL1784073,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2F)c1=O,WBUGNEOKPPFOQE,WBUGNEOKPPFOQE-UHFFFAOYSA-N,"InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)12-5-4-10(26-2)7-11(12)19/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,19,18,3,23,9,15,20,24,17,6,13,12,5,7,26,25,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCCFCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  7.071;  7.070,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-WBVHJWKACMUXRO_on_Q05586_WT,Low,ChEMBL30,CHEMBL1223842,COc1cc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1O,WBVHJWKACMUXRO,WBVHJWKACMUXRO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3S/c1-28-19-13-17(7-8-18(19)26)14-20-21(27)23-22(29-20)25-11-9-24(10-12-25)15-16-5-3-2-4-6-16/h2-8,13-14,26H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,26,27,12,21,11,22,4,6,14,15,5,28,3,7,24,9,23,13,10,29,25,2,8/E:(3,4)(5,6)(9,10)(11,12)/rA:29COCCCCCSCNCCNCCCCCCCCCNCOCCCO/rB:s1;s2;d3;s4;s5;w?6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;w?9;s7s23;d24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-WBVHJWKACMUXRO_on_Q13224_WT,Low,ChEMBL30,CHEMBL1223842,COc1cc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1O,WBVHJWKACMUXRO,WBVHJWKACMUXRO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3S/c1-28-19-13-17(7-8-18(19)26)14-20-21(27)23-22(29-20)25-11-9-24(10-12-25)15-16-5-3-2-4-6-16/h2-8,13-14,26H,9-12,15H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,26,27,12,21,11,22,4,6,14,15,5,28,3,7,24,9,23,13,10,29,25,2,8/E:(3,4)(5,6)(9,10)(11,12)/rA:29COCCCCCSCNCCNCCCCCCCCCNCOCCCO/rB:s1;s2;d3;s4;s5;w?6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s13;s10s21;w?9;s7s23;d24;d5;s26;s3d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1225538,PMID:20692832,2010.0,PMID:20692832,2010,1,0,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-WCDMWTMQRKCCFV_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,70685769;CHEMBL2029820,Cc1ccc(Oc2c(Cl)cc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)c(C)n1,WCDMWTMQRKCCFV,WCDMWTMQRKCCFV-UHFFFAOYSA-N,"InChI=1S/C23H20ClN3O2/c1-14-3-7-21(15(2)26-14)29-22-8-6-17(11-20(22)24)18-9-10-27(13-16-4-5-16)23(28)19(18)12-25/h3,6-11,16H,4-5,13H2,1-2H3","""AuxInfo=1/0/N:1,28,3,21,22,25,4,26,24,23,10,14,19,2,27,20,11,12,13,8,5,7,16,9,15,29,18,17,6/E:(4,5)/rA:29CCCCCOCCClCCCCCNCONCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;t14;s13;d16;s16;s18;s19;s20;s20s21;s18;s12d23;s11;s7d25;s5;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  7.194;  7.190,7.192,0.002,0.002,2.0,7.192,0.002
-WCEMBGUJGXXYCF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182973;10308060,N#Cc1cccc(-c2cn(-c3ncccc3)nc2)c1,WCEMBGUJGXXYCF,WCEMBGUJGXXYCF-UHFFFAOYSA-N,"InChI=1S/C15H10N4/c16-9-12-4-3-5-13(8-12)14-10-18-19(11-14)15-6-1-2-7-17-15/h1-8,10-11H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,18,9,3,7,8,11,1,12,17,10/rA:19NCCCCCCCCNCNCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257;PubChemAID:248415,PMID:15341479,2004.0,PMID:15341479;PubChemAID:248415,2004;2010,1;0,0,0,0,0;1,,=,  6.050;  6.051,6.05,0.001,0.001,2.0,6.05,0.001
-WCGDTLCLIHLMRA_on_O00591_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_O14764_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P14867_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P18505_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P18507_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P28472_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P31644_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P34903_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P47869_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P47870_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P48169_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_P78334_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_Q16445_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCGDTLCLIHLMRA_on_Q99928_WT,Low,ChEMBL30,CHEMBL312486,Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2,WCGDTLCLIHLMRA,WCGDTLCLIHLMRA-UHFFFAOYSA-N,"InChI=1S/C22H22N2O4S/c1-13-17(21(25)26-12-14-5-3-2-4-6-14)19(23)18-15-7-8-22(27-9-10-28-22)11-16(15)29-20(18)24-13/h2-6H,7-12H2,1H3,(H2,23,24)","""AuxInfo=1/1/N:1,16,15,17,14,18,24,23,26,27,21,12,2,13,19,20,8,5,6,4,9,22,7,3,10,11,25,28,29/E:(3,4)(5,6)(9,10)(27,28)/rA:29CCNCCCNCCOOCCCCCCCCCCCCCOCCOS/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s5;d19;s20;s21;s22;s19s23;s22;s25;s26;s22s27;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-WCIRCOOMYHNZHE_on_P41594_WT,High,ChEMBL30,CHEMBL414673,Cc1nc(C#Cc2cccc(C(N)=O)c2)cs1,WCIRCOOMYHNZHE,WCIRCOOMYHNZHE-UHFFFAOYSA-N,"InChI=1S/C13H10N2OS/c1-9-15-12(8-17-9)6-5-10-3-2-4-11(7-10)13(14)16/h2-4,7-8H,1H3,(H2,14,16)","""AuxInfo=1/1/N:1,9,8,10,6,5,15,16,2,7,11,4,12,13,3,14,17/rA:17CCNCCCCCCCCCNOCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;d12;s7d11;d4;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-WCJSPVAWOKOZBV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109319,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1,WCJSPVAWOKOZBV,WCJSPVAWOKOZBV-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-10-17(4-5-19(13)30-22(23,24)25)21-27-20(16-6-8-26-14(2)11-16)18-7-9-29-15(3)12-28(18)21/h4-6,8,10-11,15H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:25,1,11,16,17,28,7,29,8,26,3,12,24,2,10,4,15,6,18,5,14,20,21,22,23,30,27,13,9,19/E:(23,24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFFCCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;s15d24;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-WCLBHINVRKQEAJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3901857,O=C(Nc1cn(S(=O)(=O)c2cccc(Cl)c2F)nc1)c1ccccn1,WCLBHINVRKQEAJ,WCLBHINVRKQEAJ-UHFFFAOYSA-N,"InChI=1S/C15H10ClFN4O3S/c16-11-4-3-6-13(14(11)17)25(23,24)21-9-10(8-19-21)20-15(22)12-5-1-2-7-18-12/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,12,13,21,11,24,19,5,4,14,20,10,16,2,15,17,25,18,3,6,1,8,9,7/E:(23,24)/CRV:25.6/rA:25OCNCCNSOOCCCCCClCFNCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s14;s10d14;s16;s6;s4d18;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  5.280,5.28,0.0,0.0,1.0,5.28,0.0
-WCMCOWVIKHTVQS_on_P18507_WT,Low,ChEMBL30,CHEMBL295981,CCOCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,WCMCOWVIKHTVQS,WCMCOWVIKHTVQS-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c1-3-21-8-12-14-7-18(2)15(20)11-6-10(16)4-5-13(11)19(14)9-17-12/h4-6,9H,3,7-8H2,1-2H3","""AuxInfo=1/0/N:1,9,2,15,14,18,7,4,20,16,12,5,13,6,10,17,21,8,19,11,3/rA:21CCOCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s6s13;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.080;  7.080,7.08,0.0,0.0,2.0,7.08,0.0
-WCMCOWVIKHTVQS_on_P28472_WT,Low,ChEMBL30,CHEMBL295981,CCOCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,WCMCOWVIKHTVQS,WCMCOWVIKHTVQS-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c1-3-21-8-12-14-7-18(2)15(20)11-6-10(16)4-5-13(11)19(14)9-17-12/h4-6,9H,3,7-8H2,1-2H3","""AuxInfo=1/0/N:1,9,2,15,14,18,7,4,20,16,12,5,13,6,10,17,21,8,19,11,3/rA:21CCOCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s6s13;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.080;  7.080,7.08,0.0,0.0,2.0,7.08,0.0
-WCMCOWVIKHTVQS_on_P31644_WT,Low,ChEMBL30,CHEMBL295981,CCOCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,WCMCOWVIKHTVQS,WCMCOWVIKHTVQS-UHFFFAOYSA-N,"InChI=1S/C15H16ClN3O2/c1-3-21-8-12-14-7-18(2)15(20)11-6-10(16)4-5-13(11)19(14)9-17-12/h4-6,9H,3,7-8H2,1-2H3","""AuxInfo=1/0/N:1,9,2,15,14,18,7,4,20,16,12,5,13,6,10,17,21,8,19,11,3/rA:21CCOCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s8;d10;s10;d12;s13;d14;s15;s16;s12d16;s6s13;s19;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.080;  7.080,7.08,0.0,0.0,2.0,7.08,0.0
-WCNOWXRSBULRSP_on_O15399_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_O60391_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_Q05586_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_Q12879_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_Q13224_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCNOWXRSBULRSP_on_Q14957_WT,Low,ChEMBL30,CHEMBL40623,O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O,WCNOWXRSBULRSP,WCNOWXRSBULRSP-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:13,8,14,11,9,7,3,15,4,12,10,6,2,16,5,1/rA:16ONCCONCCCClCClCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;s11;d11;s7s13;s3d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-WCPYKHQMSBMCQY_on_Q05586_WT,Low,ChEMBL30,CHEMBL4088218,COc1cc2c(cc1)CCN(CCCCc1ccccc1)CC2CO,WCPYKHQMSBMCQY,WCPYKHQMSBMCQY-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-21-11-10-19-12-14-23(16-20(17-24)22(19)15-21)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,20,24H,5-6,9,12-14,16-17H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,13,17,21,15,7,8,9,12,10,4,22,24,16,6,23,3,5,11,25,2/E:(3,4)(7,8)/rA:25COCCCCCCCCNCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s5s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-WCPYKHQMSBMCQY_on_Q13224_WT,Low,ChEMBL30,CHEMBL4088218,COc1cc2c(cc1)CCN(CCCCc1ccccc1)CC2CO,WCPYKHQMSBMCQY,WCPYKHQMSBMCQY-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-25-21-11-10-19-12-14-23(16-20(17-24)22(19)15-21)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,20,24H,5-6,9,12-14,16-17H2,1H3","""AuxInfo=1/0/N:1,19,18,20,14,13,17,21,15,7,8,9,12,10,4,22,24,16,6,23,3,5,11,25,2/E:(3,4)(7,8)/rA:25COCCCCCCCCNCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s11;s5s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4045543,PMID:28797770,2017.0,PMID:28797770,2017,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-WCQUFDJNNYCFES_on_P41594_WT,High,ChEMBL30,CHEMBL2151619,O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1,WCQUFDJNNYCFES,WCQUFDJNNYCFES-UHFFFAOYSA-N,"InChI=1S/C19H19F4N3O2/c20-15-3-1-2-12(8-15)16-24-17(28-25-16)13-9-26(10-13)18(27)11-4-6-14(7-5-11)19(21,22)23/h1-3,8,11,13-14H,4-7,9-10H2","""AuxInfo=1/0/N:21,20,22,4,12,5,11,25,14,28,3,19,15,6,23,18,16,2,7,24,8,9,10,17,26,13,1,27/E:(4,5)(6,7)(9,10)(21,22,23)/rA:28OCCCCCCFFFCCNCCCNCCCCCCFCNOC/rB:d1;s2;s3;s4;s5;s6;s7;s7;s7;s6;s3s11;s2;s13;s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;s13s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WCSCMCRCRMPYSU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3913390,CC1(C)CC(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)C1,WCSCMCRCRMPYSU,WCSCMCRCRMPYSU-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O/c1-18(2)8-17(23)22(12-18)16-6-5-13(10-21-16)3-4-14-7-15(19)11-20-9-14/h5-7,9-11H,8,12H2,1-2H3","""AuxInfo=1/0/N:1,3,12,13,10,9,20,4,15,21,17,23,11,14,18,8,5,2,19,16,22,7,6/E:(1,2)/rA:23CCCCCONCCCCCCCCNCCFCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-WCSKMYJKMYMTMV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL189572;10192780,N#Cc1cccc(-c2nn(-c3ncccc3)cn2)c1,WCSKMYJKMYMTMV,WCSKMYJKMYMTMV-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)14-17-10-19(18-14)13-6-1-2-7-16-13/h1-8,10H","""AuxInfo=1/0/N:15,14,5,4,6,16,13,19,2,17,3,7,11,8,1,12,18,9,10/rA:19NCCCCCCCNNCNCCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257;PubChemAID:248415,PMID:15341479,2004.0,PMID:15341479;PubChemAID:248415,2004;2010,1;0,0,0,0,0;1,,=,  5.210;  5.211,5.21,0.001,0.001,2.0,5.21,0.001
-WCTCMHZWHMFZFN_on_O00591_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_O14764_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P14867_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P18505_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P18507_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P28472_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P31644_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P34903_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P41594_WT,High,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412489;CHEMBL3412490,PMID:25565255,2015.0,PMID:25565255,2015,0;1,0,0,1;0,0,,=,  7.750;  8.050,7.9,0.15,0.15,2.0,7.9,0.15
-WCTCMHZWHMFZFN_on_P47869_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P47870_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P48169_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_P78334_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCTCMHZWHMFZFN_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410213,Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1,WCTCMHZWHMFZFN,WCTCMHZWHMFZFN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,16,5,6,20,21,3,9,18,2,4,7,12,8,11,22,19,17,10/rA:22CCCCCCCCCOCCCCCCNCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s17;s7d18;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-WCVSUUTWFGVKIY_on_P41594_WT,High,ChEMBL30,CHEMBL2408409,Clc1ccc(Nc2ncc3CCCCc3n2)cc1,WCVSUUTWFGVKIY,WCVSUUTWFGVKIY-UHFFFAOYSA-N,"InChI=1S/C14H14ClN3/c15-11-5-7-12(8-6-11)17-14-16-9-10-3-1-2-4-13(10)18-14/h5-9H,1-4H2,(H,16,17,18)","""AuxInfo=1/1/N:12,13,11,14,3,18,4,17,9,10,2,5,15,7,1,8,6,16/E:(5,6)(7,8)/rA:18ClCCCCNCNCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s10s14;s7d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-WCWBZWWIBIRQCZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1078782,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,WCWBZWWIBIRQCZ,WCWBZWWIBIRQCZ-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5O/c1-8-12-5-22-13(18-6-20-22)10-4-9(23-14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,20,4,7,22,2,14,10,11,3,9,16,17,18,19,8,23,6,21,5,15/E:(15,16,17)/rA:23CCCCNNCNCCCCCCOCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s16;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WCWBZWWIBIRQCZ_on_P28472_WT,Low,ChEMBL30,CHEMBL1078782,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,WCWBZWWIBIRQCZ,WCWBZWWIBIRQCZ-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5O/c1-8-12-5-22-13(18-6-20-22)10-4-9(23-14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,20,4,7,22,2,14,10,11,3,9,16,17,18,19,8,23,6,21,5,15/E:(15,16,17)/rA:23CCCCNNCNCCCCCCOCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s16;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WCWBZWWIBIRQCZ_on_P31644_WT,Low,ChEMBL30,CHEMBL1078782,Cc1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1,WCWBZWWIBIRQCZ,WCWBZWWIBIRQCZ-UHFFFAOYSA-N,"InChI=1S/C14H10F3N5O/c1-8-12-5-22-13(18-6-20-22)10-4-9(23-14(15,16)17)2-3-11(10)21(12)7-19-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,20,4,7,22,2,14,10,11,3,9,16,17,18,19,8,23,6,21,5,15/E:(15,16,17)/rA:23CCCCNNCNCCCCCCOCFFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s16;s16;s16;s10d14;s3s11;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WCXABTLZPMLWGG_on_P41594_WT,High,ChEMBL30,CHEMBL1682836,CN1CCOc2c1ncc(COC1CCCCC1)c2,WCXABTLZPMLWGG,WCXABTLZPMLWGG-UHFFFAOYSA-N,"InChI=1S/C15H22N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h9-10,13H,2-8,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,3,4,19,9,11,10,13,6,7,8,2,5,12/E:(3,4)(5,6)/rA:19CNCCOCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.080;  6.080,6.08,0.0,0.0,2.0,6.08,0.0
-WCYJVRQPVHPWLQ_on_O00591_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_O14764_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P14867_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P18505_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P28472_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P31644_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P34903_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P47869_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P48169_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_P78334_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYJVRQPVHPWLQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL73288,O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12,WCYJVRQPVHPWLQ,WCYJVRQPVHPWLQ-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,9,16,3,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCClCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-WCYYNLFGFUQJMF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL321968,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCCC2)ccc1,WCYYNLFGFUQJMF,WCYYNLFGFUQJMF-UHFFFAOYSA-N,"InChI=1S/C19H21F3N2O3S/c20-19(21,22)14-28(25,26)24(13-15-5-4-10-23-12-15)16-6-3-9-18(11-16)27-17-7-1-2-8-17/h3-6,9-12,17H,1-2,7-8,13-14H2","""AuxInfo=1/0/N:23,24,27,15,16,28,22,25,26,14,18,12,10,4,11,17,21,19,5,6,7,8,13,9,1,3,20,2/E:(1,2)(7,8)(20,21,22)(25,26)/CRV:28.6/rA:28OSOCCFFFNCCCNCCCCCCOCCCCCCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;s22;s23;s21s24;d19;s26;s17d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-WDBBCFFNOHDOBT_on_P14867_WT,Low,ChEMBL30,CHEMBL206380,Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,WDBBCFFNOHDOBT,WDBBCFFNOHDOBT-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3","""AuxInfo=1/0/N:1,17,18,16,8,9,3,4,22,20,23,7,19,12,10,14,6,13,25,26,11,15,21,24,2,5,27/rA:27CNCCNCCCCCFCCCFCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-WDBBCFFNOHDOBT_on_P18507_WT,Low,ChEMBL30,CHEMBL206380,Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,WDBBCFFNOHDOBT,WDBBCFFNOHDOBT-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3","""AuxInfo=1/0/N:1,17,18,16,8,9,3,4,22,20,23,7,19,12,10,14,6,13,25,26,11,15,21,24,2,5,27/rA:27CNCCNCCCCCFCCCFCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL869459;CHEMBL869460;CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.800;  9.230;  9.720,9.583,0.252,0.17800000000000002,3.0,9.72,0.08
-WDBBCFFNOHDOBT_on_P28472_WT,Low,ChEMBL30,CHEMBL206380,Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,WDBBCFFNOHDOBT,WDBBCFFNOHDOBT-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3","""AuxInfo=1/0/N:1,17,18,16,8,9,3,4,22,20,23,7,19,12,10,14,6,13,25,26,11,15,21,24,2,5,27/rA:27CNCCNCCCCCFCCCFCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL869460;CHEMBL869461;CHEMBL869459,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.230;  9.720;  9.800,9.583,0.252,0.17800000000000002,3.0,9.72,0.08
-WDBBCFFNOHDOBT_on_P31644_WT,Low,ChEMBL30,CHEMBL206380,Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,WDBBCFFNOHDOBT,WDBBCFFNOHDOBT-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3","""AuxInfo=1/0/N:1,17,18,16,8,9,3,4,22,20,23,7,19,12,10,14,6,13,25,26,11,15,21,24,2,5,27/rA:27CNCCNCCCCCFCCCFCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL869461,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.720,9.72,0.0,0.0,1.0,9.72,0.0
-WDBBCFFNOHDOBT_on_P34903_WT,Low,ChEMBL30,CHEMBL206380,Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O,WDBBCFFNOHDOBT,WDBBCFFNOHDOBT-UHFFFAOYSA-N,"InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3","""AuxInfo=1/0/N:1,17,18,16,8,9,3,4,22,20,23,7,19,12,10,14,6,13,25,26,11,15,21,24,2,5,27/rA:27CNCCNCCCCCFCCCFCCCCCNCCNCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d13;s14;s14;d16;s17;s13d18;s19;t20;s7d12;d6;s23;s5d24;s2s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL869460,PMID:16384707,2006.0,PMID:16384707,2006,0,0,0,1,0,,=,  9.230,9.23,0.0,0.0,1.0,9.23,0.0
-WDBDNAQYXVEMIT_on_P14867_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-WDBDNAQYXVEMIT_on_P18507_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681641;CHEMBL685339;CHEMBL681405;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.760;  7.820;  6.790;  6.800,7.042000000000001,0.449,0.259,4.0,6.795,0.02
-WDBDNAQYXVEMIT_on_P28472_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681641;CHEMBL685339;CHEMBL681405;CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.760;  7.820;  6.790;  6.800,7.042000000000001,0.449,0.259,4.0,6.795,0.02
-WDBDNAQYXVEMIT_on_P31644_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-WDBDNAQYXVEMIT_on_P34903_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-WDBDNAQYXVEMIT_on_P47869_WT,Low,ChEMBL30,CHEMBL73052,CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1,WDBDNAQYXVEMIT,WDBDNAQYXVEMIT-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)4-8-11(9(16)5-14)13(17-3)19-12(8)10-6-15-7-18-10/h6-7H,4-5H2,1-3H3","""AuxInfo=1/0/N:9,10,1,11,7,15,17,12,5,14,4,13,3,8,16,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCCNCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-WDCRWMNKRWOGOP_on_P14867_WT,Low,ChEMBL30,CHEMBL2348441,[O-][n+]1nc2c(I)cnn2c2c1ccc(NCc1cnccc1)c2,WDCRWMNKRWOGOP,WDCRWMNKRWOGOP-UHFFFAOYSA-N,"InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2","""AuxInfo=1/0/N:21,22,13,12,20,23,18,16,7,17,14,5,11,10,4,6,19,15,8,3,9,2,1/CRV:22.5/rA:23O-N+NCCICNNCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s5;d7;s4s8;s9;s2d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-WDCRWMNKRWOGOP_on_P18507_WT,Low,ChEMBL30,CHEMBL2348441,[O-][n+]1nc2c(I)cnn2c2c1ccc(NCc1cnccc1)c2,WDCRWMNKRWOGOP,WDCRWMNKRWOGOP-UHFFFAOYSA-N,"InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2","""AuxInfo=1/0/N:21,22,13,12,20,23,18,16,7,17,14,5,11,10,4,6,19,15,8,3,9,2,1/CRV:22.5/rA:23O-N+NCCICNNCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s5;d7;s4s8;s9;s2d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-WDCRWMNKRWOGOP_on_P31644_WT,High,ChEMBL30,CHEMBL2348441,[O-][n+]1nc2c(I)cnn2c2c1ccc(NCc1cnccc1)c2,WDCRWMNKRWOGOP,WDCRWMNKRWOGOP-UHFFFAOYSA-N,"InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2","""AuxInfo=1/0/N:21,22,13,12,20,23,18,16,7,17,14,5,11,10,4,6,19,15,8,3,9,2,1/CRV:22.5/rA:23O-N+NCCICNNCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s5;d7;s4s8;s9;s2d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2353550,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-WDCRWMNKRWOGOP_on_P47870_WT,Low,ChEMBL30,CHEMBL2348441,[O-][n+]1nc2c(I)cnn2c2c1ccc(NCc1cnccc1)c2,WDCRWMNKRWOGOP,WDCRWMNKRWOGOP-UHFFFAOYSA-N,"InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2","""AuxInfo=1/0/N:21,22,13,12,20,23,18,16,7,17,14,5,11,10,4,6,19,15,8,3,9,2,1/CRV:22.5/rA:23O-N+NCCICNNCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s5;d7;s4s8;s9;s2d10;s11;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2353552,PMID:23490154,2013.0,PMID:23490154,2013,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-WDGRSBKQRHMNQH_on_P41594_WT,High,ChEMBL30,CHEMBL3747433,O=C1c2cc(COc3ccccc3F)nn2CCN1c1ccc(F)cc1,WDGRSBKQRHMNQH,WDGRSBKQRHMNQH-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3O2/c20-13-5-7-15(8-6-13)23-9-10-24-17(19(23)25)11-14(22-24)12-26-18-4-2-1-3-16(18)21/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:11,10,12,9,22,25,21,26,18,17,4,6,23,5,20,13,3,8,2,24,14,15,19,16,1,7/E:(5,6)(7,8)/rA:26OCCCCCOCCCCCCFNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s13;d5;s3s15;s16;s17;s2s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.830;  6.820,6.825,0.005,0.005,2.0,6.825,0.005
-WDHVSVUHUCQYGV_on_Q14416_WT,High,ChEMBL30,CHEMBL2179330,CCCc1cnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,WDHVSVUHUCQYGV,WDHVSVUHUCQYGV-UHFFFAOYSA-N,"InChI=1S/C22H24N4/c1-2-6-19-16-24-22-20(15-23)21(11-14-26(19)22)25-12-9-18(10-13-25)17-7-4-3-5-8-17/h3-5,7-8,11,14,16,18H,2,6,9-10,12-13H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,3,17,21,14,22,24,13,23,25,9,5,16,15,4,8,11,7,10,6,12,26/E:(4,5)(7,8)(9,10)(12,13)/rA:26CCCCCNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s11;d24;s4s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-WDJVDWUIAFCQAL_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684109,Cc1ccccc1C#Cc1ccc2C(=O)NCCc2c1,WDJVDWUIAFCQAL,WDJVDWUIAFCQAL-UHFFFAOYSA-N,"InChI=1S/C18H15NO/c1-13-4-2-3-5-15(13)8-6-14-7-9-17-16(12-14)10-11-19-18(17)20/h2-5,7,9,12H,10-11H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,4,5,3,6,9,11,8,12,18,17,20,2,10,7,19,13,14,16,15/rA:20CCCCCCCCCCCCCCONCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;t8;s9;d10;s11;d12;s13;d14;s14;s16;s17;s13s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-WDLQPJDCMZXIBY_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647554,CCn1cnc2c1nncc2-c1ccc(CO)c(-c2ccc(S(=O)(=O)CC)cc2F)c1,WDLQPJDCMZXIBY,WDLQPJDCMZXIBY-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O3S/c1-3-27-13-24-21-19(11-25-26-22(21)27)14-5-6-15(12-28)18(9-14)17-8-7-16(10-20(17)23)31(29,30)4-2/h5-11,13,28H,3-4,12H2,1-2H3","""AuxInfo=1/0/N:1,27,2,26,13,14,21,20,31,28,10,16,4,12,15,22,19,18,11,29,6,7,30,5,9,8,3,17,24,25,23/E:(29,30)/CRV:31.6/rA:31CCNCNCCNNCCCCCCCOCCCCCSOOCCCCFC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s16;s15;s18;d19;s20;d21;s22;d23;d23;s23;s26;s22;s19d28;s29;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WDMOSRJVOUIQMD_on_P14867_WT,Low,ChEMBL30,CHEMBL370714,Oc1noc(C2CCNCC2)c1-c1cccc2ccccc12,WDMOSRJVOUIQMD,WDMOSRJVOUIQMD-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-8-10-19-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,19H,8-11H2,(H,20,21)","""AuxInfo=1/1/N:19,20,15,18,16,21,14,7,11,8,10,17,6,22,13,12,5,2,9,3,1,4/E:(8,9)(10,11)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-WDMOSRJVOUIQMD_on_P18507_WT,Low,ChEMBL30,CHEMBL370714,Oc1noc(C2CCNCC2)c1-c1cccc2ccccc12,WDMOSRJVOUIQMD,WDMOSRJVOUIQMD-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-8-10-19-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,19H,8-11H2,(H,20,21)","""AuxInfo=1/1/N:19,20,15,18,16,21,14,7,11,8,10,17,6,22,13,12,5,2,9,3,1,4/E:(8,9)(10,11)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-WDMOSRJVOUIQMD_on_P28472_WT,Low,ChEMBL30,CHEMBL370714,Oc1noc(C2CCNCC2)c1-c1cccc2ccccc12,WDMOSRJVOUIQMD,WDMOSRJVOUIQMD-UHFFFAOYSA-N,"InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-8-10-19-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,19H,8-11H2,(H,20,21)","""AuxInfo=1/1/N:19,20,15,18,16,21,14,7,11,8,10,17,6,22,13,12,5,2,9,3,1,4/E:(8,9)(10,11)/rA:22OCNOCCCCNCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;d17;s18;d19;s20;s13s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-WDMPMCICUYXTSE_on_Q13255_WT,High,ChEMBL30,CHEMBL3759321,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)nco1,WDMPMCICUYXTSE,WDMPMCICUYXTSE-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O4/c1-10-16(21-9-27-10)17(24)22-11-6-7-15(14(20)8-11)23-18(25)12-4-2-3-5-13(12)19(23)26/h2-9H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,24,26,2,7,15,14,22,10,3,4,20,12,23,25,6,11,5,21,13,27/E:(2,3)(4,5)(12,13)(18,19)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCNCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.830;  5.830,5.83,0.0,0.0,2.0,5.83,0.0
-WDNHPVBODHITJV_on_P41594_WT,High,ChEMBL30,CHEMBL3644366,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cccnc1F)c(F)cc3,WDNHPVBODHITJV,WDNHPVBODHITJV-UHFFFAOYSA-N,"InChI=1S/C23H18F2N6O/c24-17-6-5-14-15(21(17)16-2-1-8-26-22(16)25)7-9-30-18(14)10-19(27-11-20(30)32)31-12-28-23(29-31)13-3-4-13/h1-2,5-6,8,10,12-13H,3-4,7,9,11H2","""AuxInfo=1/0/N:24,23,11,12,32,31,18,25,19,14,3,7,10,16,17,22,29,15,5,2,21,27,9,30,28,26,4,8,13,20,6,1/E:(3,4)/rA:32OCCNCNCNCCCCNCCCCCCNCCCCCNCFCFCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s29;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-WDNHPVBODHITJV_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644366,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cccnc1F)c(F)cc3,WDNHPVBODHITJV,WDNHPVBODHITJV-UHFFFAOYSA-N,"InChI=1S/C23H18F2N6O/c24-17-6-5-14-15(21(17)16-2-1-8-26-22(16)25)7-9-30-18(14)10-19(27-11-20(30)32)31-12-28-23(29-31)13-3-4-13/h1-2,5-6,8,10,12-13H,3-4,7,9,11H2","""AuxInfo=1/0/N:24,23,11,12,32,31,18,25,19,14,3,7,10,16,17,22,29,15,5,2,21,27,9,30,28,26,4,8,13,20,6,1/E:(3,4)/rA:32OCCNCNCNCCCCNCCCCCCNCCCCCNCFCFCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s29;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.222,5.222,0.0,0.0,1.0,5.222,0.0
-WDPPSRUIMSQVFX_on_O15399_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_O60391_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPPSRUIMSQVFX_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365737,N=C(N)NN=Cc1ccc(Cl)cc1Cl,WDPPSRUIMSQVFX,WDPPSRUIMSQVFX-UHFFFAOYSA-N,"InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)","""AuxInfo=1/1/N:8,9,12,6,7,10,13,2,11,14,1,3,5,4/E:(11,12)/rA:14NCNNNCCCCCClCCCl/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.990,4.99,0.0,0.0,1.0,4.99,0.0
-WDPTXUVLMFMBCH_on_P41594_WT,High,ChEMBL30,CHEMBL2431424,CC1=NC2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccc(F)cc3)CC2O1,WDPTXUVLMFMBCH,WDPTXUVLMFMBCH-UHFFFAOYSA-N,"InChI=1S/C25H24F2N4O2/c1-15-11-18(5-8-20(15)27)22-12-31(25(29-22)17-3-6-19(26)7-4-17)14-24(32)30-10-9-21-23(13-30)33-16(2)28-21/h3-8,11-12,21,23H,9-10,13-14H2,1-2H3","""AuxInfo=1/0/N:17,1,25,30,21,26,29,20,5,6,15,12,31,10,16,2,24,14,27,18,4,13,32,8,23,28,19,3,22,7,11,9,33/E:(3,4)(6,7)/rA:33CCNCCCNCOCNCCCCCCCFCCNCCCCCFCCCCO/rB:s1;w?2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;d16;s18;s18;s14d20;s13;s11d22;s23;d24;s25;d26;s27;s27;s24d29;s7;s4s31;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-WDPUHMPVZBSBGB_on_Q14833_WT,High,ChEMBL30,CHEMBL515763,Cc1c(NN=Cc2ccc(O)cc2)nc2ccccc2n1,WDPUHMPVZBSBGB,WDPUHMPVZBSBGB-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,18,17,19,16,8,13,9,12,6,2,7,10,20,15,3,5,21,14,4,11/E:(6,7)(8,9)/rA:21CCCNNCCCCCOCCNCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s10;s7d12;s3;d14;s15;d16;s17;d18;s15s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:19097893,2009.0,PMID:21688779,2011,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WDQBRTXTBADQSP_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3915259,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1,WDQBRTXTBADQSP,WDQBRTXTBADQSP-UHFFFAOYSA-N,"InChI=1S/C17H16N4O3S/c1-12-6-7-16(13(2)9-12)25(23,24)21-11-14(10-19-21)20-17(22)15-5-3-4-8-18-15/h3-11H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,24,17,18,16,3,4,19,25,21,10,2,23,11,15,5,13,20,22,12,9,14,7,8,6/E:(23,24)/CRV:25.6/rA:25CCCCCSOONCCNCOCCCCCNCNCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s9d21;s5;s23;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-WDQDPHLOSGNFKP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL195965;44403640,C(#CC1CCCCC1)c1ncccc1,WDQDPHLOSGNFKP,WDQDPHLOSGNFKP-UHFFFAOYSA-N,"InChI=1S/C13H15N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-5,8,11-12H,1-3,6-7H2","""AuxInfo=1/0/N:6,5,7,13,12,4,8,14,2,1,11,3,9,10/E:(2,3)(6,7)/rA:14CCCCCCCCCNCCCC/rB:t1;s2;s3;s4;s5;s6;s3s7;s1;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882;PubChemAID:255928,PMID:16115767,2005.0,PMID:16115767;PubChemAID:255928,2005;2010,1;0,0,0,0,0;1,,=,  6.970;  6.975,6.973,0.002,0.002,2.0,6.973,0.002
-WDQGKOLKBWBMAV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2431409;71586684,Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ncc(F)cn4)CC3)c(-c3ccccc3)n2)c1,WDQGKOLKBWBMAV,WDQGKOLKBWBMAV-UHFFFAOYSA-N,"InChI=1S/C26H24F2N6O/c1-18-13-20(7-8-22(18)28)23-16-34(25(31-23)19-5-3-2-4-6-19)17-24(35)32-9-11-33(12-10-32)26-29-14-21(27)15-30-26/h2-8,13-16H,9-12,17H2,1H3","""AuxInfo=1/0/N:1,31,30,32,29,33,6,5,15,26,16,25,35,20,23,9,11,2,28,7,21,3,8,12,27,18,22,4,19,24,34,14,17,10,13/E:(3,4)(5,6)(9,10)(11,12)(14,15)(29,30)/rA:35CCCFCCCCCNCCONCCNCNCCFCNCCCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s17;s14s25;s10;s27;d28;s29;d30;s31;s28d32;s8d27;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294;PubChemAID:772427,PMID:24900753,2013.0,PMID:24900753;PubChemAID:772427,2013;2014,0,1;0,0,0,0;1,,=,  7.010;  7.013,7.011,0.002,0.002,2.0,7.011,0.002
-WDRFNNXGDSWLEL_on_P41594_WT,Medium,ChEMBL30,CHEMBL3912568,CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)nn2)CC1(C)C,WDRFNNXGDSWLEL,WDRFNNXGDSWLEL-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)12-16(18(24)23(19)3)17-10-9-15(21-22-17)8-7-13-5-4-6-14(20)11-13/h4-6,9-11,16H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,21,12,16,9,5,6,3,22,17,19,20,2,4/E:(1,2)/rA:24CNCOCCCCCCCCCCCCFCNNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-WDTGOYDHZIXMQO_on_P14867_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-WDTGOYDHZIXMQO_on_P18507_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273617;CHEMBL1273620;CHEMBL1273616;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.970;  7.440;  6.000;  7.520;  8.170,7.22,0.72,0.36,5.0,7.44,0.47
-WDTGOYDHZIXMQO_on_P28472_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000;  8.170;  7.440;  7.520;  6.970,7.22,0.72,0.36,5.0,7.44,0.47
-WDTGOYDHZIXMQO_on_P31644_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-WDTGOYDHZIXMQO_on_P34903_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-WDTGOYDHZIXMQO_on_P47869_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WDTGOYDHZIXMQO_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270037,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1,WDTGOYDHZIXMQO,WDTGOYDHZIXMQO-UHFFFAOYSA-N,"InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3","""AuxInfo=1/0/N:1,3,4,20,21,22,23,24,17,18,15,26,10,16,14,25,13,8,11,6,2,9,12,7,5,19/E:(1,2,3)(4,5,6)/rA:26CCCCOCOCNCCNCCCCCCSiCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;t17;s18;s19;s19;s19;s16;s13d23;s11s14;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-WDTNKNNGHGOKBH_on_P14867_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676825;CHEMBL822165;CHEMBL999409;CHEMBL678329;CHEMBL677035;CHEMBL676827,PMID:8627617,1996.0,PMID:8627617;PMID:9767648;PMID:18790643;PMID:10633039;PMID:15006383;PMID:14667209,1996;1998;2008;2000;2004;2003,0,0,0,1,0,,=,  7.550;  7.550;  7.550;  7.550;  7.550;  7.550,7.55,0.0,0.0,6.0,7.55,0.0
-WDTNKNNGHGOKBH_on_P18507_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681093;CHEMBL678740;CHEMBL681840;CHEMBL680433;CHEMBL682251;CHEMBL677035;CHEMBL681480;CHEMBL824296;CHEMBL681248;CHEMBL685349;CHEMBL685338;CHEMBL823916;CHEMBL677846;CHEMBL682710;CHEMBL683047;CHEMBL678746;CHEMBL683045;CHEMBL678742;CHEMBL676827;CHEMBL822165;CHEMBL682646;CHEMBL680670;CHEMBL678329;CHEMBL676825;CHEMBL677845;CHEMBL999409;CHEMBL999413;CHEMBL999410;CHEMBL999412;CHEMBL999414,PMID:8627617,1996.0,PMID:15006383;PMID:8627617;PMID:8627617;PMID:15006383;PMID:10633039;PMID:15006383;PMID:10633039;PMID:9767648;PMID:10633039;PMID:15006383;PMID:9767648;PMID:9767648;PMID:14667209;PMID:15006383;PMID:9767648;PMID:14667209;PMID:10633039;PMID:14667209;PMID:14667209;PMID:9767648;PMID:14667209;PMID:15006383;PMID:10633039;PMID:8627617;PMID:8627617;PMID:18790643;PMID:18790643;PMID:18790643;PMID:18790643;PMID:18790643,2004;1996;1996;2004;2000;2004;2000;1998;2000;2004;1998;1998;2003;2004;1998;2003;2000;2003;2003;1998;2003;2004;2000;1996;1996;2008;2008;2008;2008;2008,0,0,0,1,0,,=,  7.280;  7.590;  7.670;  7.590;  7.590;  7.550;  9.310;  7.670;  7.670;  7.540;  9.310;  7.590;  7.540;  7.670;  7.540;  9.310;  7.540;  7.280;  7.550;  7.550;  7.670;  9.310;  7.550;  7.550;  7.540;  7.550;  9.310;  7.670;  8.280;  7.540,7.877000000000001,0.66,0.122,30.0,7.59,0.05
-WDTNKNNGHGOKBH_on_P28472_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL999409;CHEMBL681248;CHEMBL682251;CHEMBL682646;CHEMBL822165;CHEMBL824296;CHEMBL676827;CHEMBL678742;CHEMBL682710;CHEMBL685338;CHEMBL683045;CHEMBL681480;CHEMBL681093;CHEMBL680433;CHEMBL685349;CHEMBL678329;CHEMBL677035;CHEMBL999414;CHEMBL999412;CHEMBL678746;CHEMBL680670;CHEMBL999413;CHEMBL823916;CHEMBL677846;CHEMBL999410,PMID:9767648,1998.0,PMID:9767648;PMID:18790643;PMID:10633039;PMID:10633039;PMID:14667209;PMID:9767648;PMID:9767648;PMID:14667209;PMID:14667209;PMID:15006383;PMID:9767648;PMID:10633039;PMID:10633039;PMID:15006383;PMID:15006383;PMID:15006383;PMID:10633039;PMID:15006383;PMID:18790643;PMID:18790643;PMID:14667209;PMID:15006383;PMID:18790643;PMID:9767648;PMID:14667209;PMID:18790643,1998;2008;2000;2000;2003;1998;1998;2003;2003;2004;1998;2000;2000;2004;2004;2004;2000;2004;2008;2008;2003;2004;2008;1998;2003;2008,0,0,0,1,0,,=,  7.540;  7.550;  7.670;  7.590;  7.670;  7.550;  7.670;  7.550;  7.280;  7.670;  9.310;  7.540;  9.310;  7.280;  7.590;  7.540;  7.550;  7.550;  7.540;  8.280;  9.310;  9.310;  9.310;  7.590;  7.540;  7.670,7.922000000000001,0.698,0.14,26.0,7.59,0.065
-WDTNKNNGHGOKBH_on_P31644_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680670;CHEMBL678746;CHEMBL681480;CHEMBL685338;CHEMBL999413,PMID:9767648,1998.0,PMID:15006383;PMID:14667209;PMID:10633039;PMID:9767648;PMID:18790643,2004;2003;2000;1998;2008,0,0,0,1,0,,=,  9.310;  9.310;  9.310;  9.310;  9.310,9.31,0.0,0.0,5.0,9.31,0.0
-WDTNKNNGHGOKBH_on_P34903_WT,High,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL999411,PMID:8627617,1996.0,PMID:18790643,2008,0,0,0,1,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-WDTNKNNGHGOKBH_on_P47869_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248;CHEMBL682710;CHEMBL682646;CHEMBL999410;CHEMBL681840,PMID:8627617,1996.0,PMID:9767648;PMID:10633039;PMID:15006383;PMID:14667209;PMID:18790643;PMID:8627617,1998;2000;2004;2003;2008;1996,0,0,0,1,0,,=,  7.670;  7.670;  7.670;  7.670;  7.670;  7.670,7.67,0.0,0.0,6.0,7.67,0.0
-WDTNKNNGHGOKBH_on_P47870_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL676825;CHEMBL677845;CHEMBL678740;CHEMBL681840,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  7.550;  7.540;  7.590;  7.670,7.587000000000001,0.051,0.03,4.0,7.57,0.025
-WDTNKNNGHGOKBH_on_P48169_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681093;CHEMBL999412;CHEMBL678742,PMID:14667209,2003.0,PMID:15006383;PMID:18790643;PMID:14667209,2004;2008;2003,0,0,0,1,0,,=,  7.280;  8.280;  7.280,7.6129999999999995,0.47100000000000003,0.33299999999999996,3.0,7.28,0.0
-WDTNKNNGHGOKBH_on_Q16445_WT,Low,ChEMBL30,CHEMBL286594,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21,WDTNKNNGHGOKBH,WDTNKNNGHGOKBH-UHFFFAOYSA-N,"InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,20,12,2,19,4,5,8,13,22,3,7,6,14,15,9,16,21,11,23,10,17,18/rA:23CCCCCCCCCONCCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s15;d21;s6s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL999414;CHEMBL683045;CHEMBL677846;CHEMBL685349;CHEMBL683047;CHEMBL677845,PMID:8627617,1996.0,PMID:18790643;PMID:10633039;PMID:14667209;PMID:15006383;PMID:9767648;PMID:8627617,2008;2000;2003;2004;1998;1996,0,0,0,1,0,,=,  7.540;  7.540;  7.540;  7.540;  7.540;  7.540,7.54,0.0,0.0,6.0,7.54,0.0
-WDTPXPATBAAEGM_on_Q14416_WT,High,ChEMBL30,CHEMBL3221842,CCCn1ccc2c(cccc2NCc2cccc(Oc3ccccc3)c2)c1=O,WDTPXPATBAAEGM,WDTPXPATBAAEGM-UHFFFAOYSA-N,"InChI=1S/C25H24N2O2/c1-2-15-27-16-14-22-23(25(27)28)12-7-13-24(22)26-18-19-8-6-11-21(17-19)29-20-9-4-3-5-10-20/h3-14,16-17,26H,2,15,18H2,1H3","""AuxInfo=1/0/N:1,2,24,23,25,17,10,16,22,26,18,9,11,6,3,5,27,14,15,21,19,7,8,12,28,13,4,29,20/E:(4,5)(9,10)/rA:29CCCNCCCCCCCCNCCCCCCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s15d19;s4s8;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-WDWDORGIXVCIQC_on_P41594_WT,High,ChEMBL30,CHEMBL508497,Cc1cc(C#Cc2cncnc2)ccc1,WDWDORGIXVCIQC,WDWDORGIXVCIQC-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-3-2-4-12(7-11)5-6-13-8-14-10-15-9-13/h2-4,7-10H,1H3","""AuxInfo=1/0/N:1,14,15,13,5,6,3,8,12,10,2,4,7,9,11/E:(8,9)(14,15)/rA:15CCCCCCCCNCNCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2065269,PMID:22148748,2012.0,PMID:22148748,2012,1,0,0,0,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-WDWLYJIZBCWKLU_on_Q14833_WT,High,ChEMBL30,CHEMBL4068295,Cn1ccc2c1cnc(-c1cc(=NO)c3c(cccc3)o1)c2,WDWLYJIZBCWKLU,WDWLYJIZBCWKLU-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-20-7-6-11-8-14(18-10-15(11)20)17-9-13(19-21)12-4-2-3-5-16(12)22-17/h2-10,21H,1H3","""AuxInfo=1/0/N:1,19,18,20,17,4,3,22,11,7,5,15,12,9,6,16,10,8,13,2,14,21/rA:22CNCCCCCNCCCCNOCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;d10;s11;w?12;s13;s12;d15;s16;d17;s18;s15d19;s10s16;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-WDZSJJQVQXUBKN_on_P31644_WT,High,ChEMBL30,CHEMBL3681529,Cc1c(COc2ccc(C(=O)NC3(C)COC3)cn2)c(-c2ccccc2)no1,WDZSJJQVQXUBKN,WDZSJJQVQXUBKN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O4/c1-14-17(19(24-28-14)15-6-4-3-5-7-15)11-27-18-9-8-16(10-22-18)20(25)23-21(2)12-26-13-21/h3-10H,11-13H2,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,14,24,23,25,22,26,8,7,18,4,15,17,2,21,9,3,6,20,10,13,19,12,27,11,16,5,28/E:(4,5)(6,7)(12,13)/rA:28CCCCOCCCCCONCCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s13s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-WDZUVAWJPSCQMY_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684110,Cc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1,WDZUVAWJPSCQMY,WDZUVAWJPSCQMY-UHFFFAOYSA-N,"InChI=1S/C18H15NO/c1-13-3-2-4-14(11-13)5-6-15-7-8-17-16(12-15)9-10-19-18(17)20/h2-4,7-8,11-12H,9-10H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,19,20,18,5,6,8,9,15,14,3,17,2,4,7,16,10,11,13,12/rA:20CCCCCCCCCCCONCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s11;s13;s14;s10s15;s7d16;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-WEDYAXJXVWGXMB_on_P14867_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-WEDYAXJXVWGXMB_on_P18507_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600;  6.150;  6.290;  6.620,6.415,0.201,0.11599999999999999,4.0,6.445,0.165
-WEDYAXJXVWGXMB_on_P28472_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL681841;CHEMBL676826;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620;  6.290;  6.150;  6.600,6.415,0.201,0.11599999999999999,4.0,6.445,0.165
-WEDYAXJXVWGXMB_on_P31644_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-WEDYAXJXVWGXMB_on_P34903_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-WEDYAXJXVWGXMB_on_P47869_WT,Low,ChEMBL30,CHEMBL300690,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1,WEDYAXJXVWGXMB,WEDYAXJXVWGXMB-UHFFFAOYSA-N,"InChI=1S/C20H14N4OS/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)25-12-14-10-11-26-13-14/h1-11,13H,12H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,17,19,18,4,9,10,5,8,15,6,7,23,24,16,20/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCSCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-WEFRNUXPTYTOEU_on_P18507_WT,Low,ChEMBL30,CHEMBL1783271,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1,WEFRNUXPTYTOEU,WEFRNUXPTYTOEU-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(3,4)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22s23;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.940,8.94,0.0,0.0,1.0,8.94,0.0
-WEFRNUXPTYTOEU_on_P28472_WT,Low,ChEMBL30,CHEMBL1783271,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1,WEFRNUXPTYTOEU,WEFRNUXPTYTOEU-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(3,4)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22s23;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.940,8.94,0.0,0.0,1.0,8.94,0.0
-WEFRNUXPTYTOEU_on_P47869_WT,Low,ChEMBL30,CHEMBL1783271,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1,WEFRNUXPTYTOEU,WEFRNUXPTYTOEU-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)","""AuxInfo=1/1/N:1,8,23,24,4,14,13,5,28,22,3,15,9,11,6,10,16,27,18,19,12,17,21,26,25,20,2,7/E:(3,4)/rA:28COCCCCOCCCCFCCCCNCCONCCCNNCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;s11;d13;s14;d15;s16;s16;s18;d19;s19;s21;s22;s22s23;d18;s25;s10s15d26;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.940,8.94,0.0,0.0,1.0,8.94,0.0
-WEGQZOQLVXNSEV_on_P41594_WT,High,ChEMBL30,CHEMBL1672442,CCCn1c(-c2cnc(Nc3cnc(C)cc3)c(Cl)c2)nc2c1cccc2,WEGQZOQLVXNSEV,WEGQZOQLVXNSEV-UHFFFAOYSA-N,"InChI=1S/C21H20ClN5/c1-3-10-27-19-7-5-4-6-18(19)26-21(27)15-11-17(22)20(24-12-15)25-16-9-8-14(2)23-13-16/h4-9,11-13H,3,10H2,1-2H3,(H,24,25)","""AuxInfo=1/1/N:1,15,2,26,25,27,24,16,17,3,20,7,12,14,6,11,18,22,23,9,5,19,13,8,10,21,4/rA:27CCCNCCCNCNCCNCCCCCClCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;s9;s18;s6d18;d5;s21;s4d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-WEIFSKPMICJQOX_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,49865397;CHEMBL1223312,O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1nccs1,WEIFSKPMICJQOX,WEIFSKPMICJQOX-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O3S2/c17-13-3-1-2-4-14(13)20-25(22,23)12-7-5-11(6-8-12)19-15(21)16-18-9-10-24-16/h1-10,20H,(H,19,21)","""AuxInfo=1/1/N:15,14,16,13,5,20,6,19,23,24,4,7,17,12,2,21,18,22,3,11,1,9,10,25,8/E:(5,6)(7,8)(22,23)/CRV:25.6/rA:25OCNCCCCSOONCCCCCCClCCCNCCS/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s17;s7;s4d19;s2;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:501614;CHEMBL1228192,PMID:20667732,2010.0,PubChemAID:501614;PMID:20667732,2011;2010,0,0;1,0,0,1;0,,=,  7.111;  7.110,7.111000000000001,0.0,0.0,2.0,7.111000000000001,0.0
-WEJZVSUJBIPAHL_on_O15399_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_O60391_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WEJZVSUJBIPAHL_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365798,N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1,WEJZVSUJBIPAHL,WEJZVSUJBIPAHL-UHFFFAOYSA-N,"InChI=1S/C12H11N5O3/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19/h1-7H,(H4,13,14,16)","""AuxInfo=1/1/N:12,19,13,18,8,9,6,11,14,7,10,2,1,3,5,4,15,16,17,20/E:(1,2)(3,4)(13,14)(18,19)/CRV:17.5/rA:20NCNNNCCCCCCCCCN+OO-CCO/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s12;d13;s14;d15;s15;s14;s11d18;s7s10;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.960,3.96,0.0,0.0,1.0,3.96,0.0
-WENQSDCZNCSCPE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3937739,Cc1ccc(NC(=O)Nc2c3ncccc3n[nH]2)cc1C,WENQSDCZNCSCPE,WENQSDCZNCSCPE-UHFFFAOYSA-N,"InChI=1S/C15H15N5O/c1-9-5-6-11(8-10(9)2)17-15(21)18-14-13-12(19-20-14)4-3-7-16-13/h3-8H,1-2H3,(H3,17,18,19,20,21)","""AuxInfo=1/1/N:1,21,14,15,3,4,13,19,2,20,5,16,11,10,7,12,6,9,17,18,8/rA:21CCCCCNCONCCNCCCCNNCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s5;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  4.890,4.89,0.0,0.0,1.0,4.89,0.0
-WENVDBYSQOVWDR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4106929,Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)c1,WENVDBYSQOVWDR,WENVDBYSQOVWDR-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2FN3O/c1-12-7-15(8-16(10-24)25-12)20-19-5-6-28-13(2)11-27(19)21(26-20)14-3-4-17(22)18(23)9-14/h3-4,7-9,13H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,15,20,21,11,12,28,7,26,5,16,2,14,19,8,4,22,24,10,9,18,23,25,6,3,27,17,13/rA:28CCNCCFCCCCCCOCCCNCCCCCClCClCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s22;s24;s19d24;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-WEOUFLRWRPXKDX_on_P31644_WT,High,ChEMBL30,CHEMBL3681615,O=C(NCCO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,WEOUFLRWRPXKDX,WEOUFLRWRPXKDX-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O4/c19-15-4-1-12(2-5-15)17-14(11-26-22-17)10-25-16-6-3-13(9-21-16)18(24)20-7-8-23/h1-6,9,11,23H,7-8,10H2,(H,20,24)","""AuxInfo=1/1/N:19,24,8,20,23,9,4,5,26,12,14,18,7,13,21,10,17,2,22,3,25,16,6,1,11,15/E:(1,2)(4,5)/rA:26OCNCCOCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;s17;d18;s19;d20;s21;s21;s18d23;s10;s7d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.630,7.63,0.0,0.0,1.0,7.63,0.0
-WEPJXKWFNNWMFO_on_O15303_WT,Low,ChEMBL30,CHEMBL3806226,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2,WEPJXKWFNNWMFO,WEPJXKWFNNWMFO-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)11-23-14-7-8-15(20-16(14)21(4)17(23)24)22-10-12-5-6-13(22)9-19-12/h7-8,12-13,19H,5-6,9-11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,19,24,23,21,16,6,17,20,11,14,12,3,7,22,13,2,15,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCNCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-WEPJXKWFNNWMFO_on_P41594_WT,Low,ChEMBL30,CHEMBL3806226,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2,WEPJXKWFNNWMFO,WEPJXKWFNNWMFO-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)11-23-14-7-8-15(20-16(14)21(4)17(23)24)22-10-12-5-6-13(22)9-19-12/h7-8,12-13,19H,5-6,9-11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,19,24,23,21,16,6,17,20,11,14,12,3,7,22,13,2,15,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCNCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-WEPJXKWFNNWMFO_on_Q14416_WT,High,ChEMBL30,CHEMBL3806226,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2,WEPJXKWFNNWMFO,WEPJXKWFNNWMFO-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)11-23-14-7-8-15(20-16(14)21(4)17(23)24)22-10-12-5-6-13(22)9-19-12/h7-8,12-13,19H,5-6,9-11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,19,24,23,21,16,6,17,20,11,14,12,3,7,22,13,2,15,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCNCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-WEPJXKWFNNWMFO_on_Q14832_WT,Low,ChEMBL30,CHEMBL3806226,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2,WEPJXKWFNNWMFO,WEPJXKWFNNWMFO-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)11-23-14-7-8-15(20-16(14)21(4)17(23)24)22-10-12-5-6-13(22)9-19-12/h7-8,12-13,19H,5-6,9-11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,19,24,23,21,16,6,17,20,11,14,12,3,7,22,13,2,15,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCNCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-WEPJXKWFNNWMFO_on_Q14833_WT,Low,ChEMBL30,CHEMBL3806226,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2,WEPJXKWFNNWMFO,WEPJXKWFNNWMFO-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)11-23-14-7-8-15(20-16(14)21(4)17(23)24)22-10-12-5-6-13(22)9-19-12/h7-8,12-13,19H,5-6,9-11H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,19,24,23,21,16,6,17,20,11,14,12,3,7,22,13,2,15,5,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCNCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s20;s17s21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-WEPMFGFQUDQCQI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113710;CHEMBL3903459;CHEMBL3903459;CHEMBL4113710,CC1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,WEPMFGFQUDQCQI,WEPMFGFQUDQCQI-UHFFFAOYSA-N,"InChI=1S/C23H22F4N4O/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32)","""AuxInfo=1/1/N:1,14,19,24,20,23,15,32,25,3,12,10,2,13,18,21,16,17,31,26,5,27,6,22,7,8,9,28,4,30,11,29/E:(3,4)(5,6)(25,26,27)/rA:32CCCNCCFFFCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;s4;s5;s6;s6;s6;s5;s2s10;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;d17;s25;s26;s27;d27;d26;s16s30;s13d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.000;  8.050;  7.960;  8.000,8.003,0.032,0.018000000000000002,4.0,8.0,0.02
-WERIHXWXSRLQFO_on_P41594_WT,High,ChEMBL30,CHEMBL3702361,COc1cc(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)ccn1,WERIHXWXSRLQFO,WERIHXWXSRLQFO-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-25-18-9-12(5-7-21-18)16-10-17-14-3-2-4-15(20)13(14)6-8-23(17)19(24)11-22-16/h2-5,7,9-10H,6,8,11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,23,13,24,12,4,22,8,5,14,15,19,6,21,3,9,20,25,7,11,10,2/rA:25COCCCCNCCONCCCCCCCCClCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-WERIHXWXSRLQFO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702361,COc1cc(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)ccn1,WERIHXWXSRLQFO,WERIHXWXSRLQFO-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-25-18-9-12(5-7-21-18)16-10-17-14-3-2-4-15(20)13(14)6-8-23(17)19(24)11-22-16/h2-5,7,9-10H,6,8,11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,23,13,24,12,4,22,8,5,14,15,19,6,21,3,9,20,25,7,11,10,2/rA:25COCCCCNCCONCCCCCCCCClCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;d5;s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-WESVOVCGWGMIAN_on_P41594_WT,High,ChEMBL30,CHEMBL3644382,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ncc3,WESVOVCGWGMIAN,WESVOVCGWGMIAN-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-4-3-15(10-26-20)23-17-6-8-30-19(16(17)5-7-25-23)9-21(27-11-22(30)31)29-12-18(28-13-29)14-1-2-14/h3-5,7,9-10,12-14H,1-2,6,8,11H2","""AuxInfo=1/0/N:11,12,23,24,31,18,30,19,14,28,3,13,7,10,22,16,17,9,15,25,5,2,21,26,29,27,4,8,6,20,1/E:(1,2)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCFNCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WESVOVCGWGMIAN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644382,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ncc3,WESVOVCGWGMIAN,WESVOVCGWGMIAN-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-4-3-15(10-26-20)23-17-6-8-30-19(16(17)5-7-25-23)9-21(27-11-22(30)31)29-12-18(28-13-29)14-1-2-14/h3-5,7,9-10,12-14H,1-2,6,8,11H2","""AuxInfo=1/0/N:11,12,23,24,31,18,30,19,14,28,3,13,7,10,22,16,17,9,15,25,5,2,21,26,29,27,4,8,6,20,1/E:(1,2)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCFNCNCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WEUXTZDOZQCENX_on_P41594_WT,Low,ChEMBL30,CHEMBL3947966,Cc1ncc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1,WEUXTZDOZQCENX,WEUXTZDOZQCENX-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O2/c1-13-21-9-14(10-22-13)19(26)24-5-6-25-17(11-24)8-16(23-25)12-27-18-4-2-3-15(20)7-18/h2-4,7-10H,5-6,11-12H2,1H3","""AuxInfo=1/0/N:1,18,19,17,9,10,22,23,4,26,25,14,2,5,20,13,24,16,6,21,3,27,12,8,11,7,15/E:(9,10)(21,22)/rA:27CCNCCCONCCNNCCOCCCCCFCCCCCN/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s13;s11d23;s8s24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,<,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-WEXKYZXMDCSALY_on_Q13255_WT,High,ChEMBL30,CHEMBL3634442,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c3ccccc23)occ1,WEXKYZXMDCSALY,WEXKYZXMDCSALY-UHFFFAOYSA-N,"InChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28)","""AuxInfo=1/1/N:19,1,26,25,21,20,27,24,22,8,9,31,30,18,2,28,23,14,7,10,15,3,4,12,16,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.800;  7.800,7.8,0.0,0.0,2.0,7.8,0.0
-WEXKYZXMDCSALY_on_Q14833_WT,High,ChEMBL30,CHEMBL3634442,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c3ccccc23)occ1,WEXKYZXMDCSALY,WEXKYZXMDCSALY-UHFFFAOYSA-N,"InChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28)","""AuxInfo=1/1/N:19,1,26,25,21,20,27,24,22,8,9,31,30,18,2,28,23,14,7,10,15,3,4,12,16,6,11,5,13,17,29/rA:31CCCCONCCCCNCOCCCOCCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;d23;s24;d25;s26;s7s23d27;s3;s29;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-WEXRUCMBJFQVBZ_on_P18507_WT,Low,ChEMBL30,CHEMBL448,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,WEXRUCMBJFQVBZ,WEXRUCMBJFQVBZ-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)","""AuxInfo=1/1/N:1,8,5,2,7,3,4,9,15,12,6,11,14,10,16,13/E:(8,9)(12,13)(14,15)/rA:16CCCCCCCCCONCONCO/rB:s1;s2;s3;s4;s4;s6;s7;s6;d9;s9;s11;d12;s12;s6s14;d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-WEXRUCMBJFQVBZ_on_P28472_WT,High,ChEMBL30,CHEMBL448,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,WEXRUCMBJFQVBZ,WEXRUCMBJFQVBZ-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)","""AuxInfo=1/1/N:1,8,5,2,7,3,4,9,15,12,6,11,14,10,16,13/E:(8,9)(12,13)(14,15)/rA:16CCCCCCCCCONCONCO/rB:s1;s2;s3;s4;s4;s6;s7;s6;d9;s9;s11;d12;s12;s6s14;d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2168416,PMID:22734650,2012.0,PMID:22734650,2012,1,0,0,0,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-WEXRUCMBJFQVBZ_on_P47869_WT,Low,ChEMBL30,CHEMBL448,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,WEXRUCMBJFQVBZ,WEXRUCMBJFQVBZ-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)","""AuxInfo=1/1/N:1,8,5,2,7,3,4,9,15,12,6,11,14,10,16,13/E:(8,9)(12,13)(14,15)/rA:16CCCCCCCCCONCONCO/rB:s1;s2;s3;s4;s4;s6;s7;s6;d9;s9;s11;d12;s12;s6s14;d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-WEXRUCMBJFQVBZ_on_P47870_WT,Low,ChEMBL30,CHEMBL448,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,WEXRUCMBJFQVBZ,WEXRUCMBJFQVBZ-UHFFFAOYSA-N,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)","""AuxInfo=1/1/N:1,8,5,2,7,3,4,9,15,12,6,11,14,10,16,13/E:(8,9)(12,13)(14,15)/rA:16CCCCCCCCCONCONCO/rB:s1;s2;s3;s4;s4;s6;s7;s6;d9;s9;s11;d12;s12;s6s14;d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-WEYBPYSFKHIJRM_on_Q13224_WT,High,ExCAPE-DB,9862575,COc1ccccc1Cn1cc2cc(OC(F)(F)F)ccc2c1N,WEYBPYSFKHIJRM,WEYBPYSFKHIJRM-UHFFFAOYSA-N,"InChI=1S/C17H15F3N2O2/c1-23-15-5-3-2-4-11(15)9-22-10-12-8-13(24-17(18,19)20)6-7-14(12)16(22)21/h2-8,10H,9,21H2,1H3","""AuxInfo=1/0/N:1,6,5,7,4,20,21,13,9,11,8,12,14,22,3,23,16,17,18,19,24,10,2,15/E:(18,19,20)/rA:24COCCCCCCCNCCCCOCFFFCCCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;d11;s12;d13;s14;s15;s16;s16;s16;s14;d20;s12s21;s10d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:307754,PubChemAID:307754,2010.0,PubChemAID:307754,2010,0,0,0,0,1,,=,  8.444,8.443999999999999,0.0,0.0,1.0,8.443999999999999,0.0
-WEZLWNBRGDUYRH_on_O15399_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_O60391_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_Q12879_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WEZLWNBRGDUYRH_on_Q14957_WT,Low,ChEMBL30,CHEMBL1190802,NC(CCCc1n[nH]nn1)C(=O)O,WEZLWNBRGDUYRH,WEZLWNBRGDUYRH-UHFFFAOYSA-N,"InChI=1S/C6H11N5O2/c7-4(6(12)13)2-1-3-5-8-10-11-9-5/h4H,1-3,7H2,(H,12,13)(H,8,9,10,11)","""AuxInfo=1/1/N:4,3,5,2,6,11,1,7,10,8,9,12,13/E:(8,9)(10,11)(12,13)/rA:13NCCCCCNNNNCOO/rB:s1;s2;s3;s4;s5;d6;s7;s8;s6d9;s2;d11;s11;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.980,5.98,0.0,0.0,1.0,5.98,0.0
-WFBBBHNOOAQNAB_on_Q14833_WT,High,ChEMBL30,CHEMBL4249226,Cn1nc(C(=O)NC2CCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,WFBBBHNOOAQNAB,WFBBBHNOOAQNAB-UHFFFAOYSA-N,"InChI=1S/C19H19N7O/c1-26-15-10-12(21-18-17-14(23-24-18)6-3-9-20-17)7-8-13(15)16(25-26)19(27)22-11-4-2-5-11/h3,6-11H,2,4-5H2,1H3,(H,22,27)(H2,21,23,24)","""AuxInfo=1/1/N:1,10,21,9,11,22,26,27,20,14,8,15,12,23,13,4,18,17,5,19,16,7,24,25,3,2,6/E:(4,5)/rA:27CNNCCONCCCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s8s10;s4;s2d12;s13;d14;s15;s16;d17;s18;d19;s20;d21;s18s22;d23;s17s24;s15;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-WFCALMPXVKUYLO_on_P18507_WT,Low,ChEMBL30,CHEMBL1783258,CCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,WFCALMPXVKUYLO,WFCALMPXVKUYLO-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,19,14,2,22,21,23,16,15,20,17,10,24,11,12,25,9,6,4,26,3,8,7,5,18,13/rA:26CCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s12;d15;s16;s17;s18;s11d17;d10;s21;d22;s9s23;s6d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-WFCALMPXVKUYLO_on_P28472_WT,Low,ChEMBL30,CHEMBL1783258,CCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,WFCALMPXVKUYLO,WFCALMPXVKUYLO-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,19,14,2,22,21,23,16,15,20,17,10,24,11,12,25,9,6,4,26,3,8,7,5,18,13/rA:26CCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s12;d15;s16;s17;s18;s11d17;d10;s21;d22;s9s23;s6d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-WFCALMPXVKUYLO_on_P47869_WT,High,ChEMBL30,CHEMBL1783258,CCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N,WFCALMPXVKUYLO,WFCALMPXVKUYLO-UHFFFAOYSA-N,"InChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24)","""AuxInfo=1/1/N:1,19,14,2,22,21,23,16,15,20,17,10,24,11,12,25,9,6,4,26,3,8,7,5,18,13/rA:26CCNCOCNNCCCCOCCCCOCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;s13;s12;d15;s16;s17;s18;s11d17;d10;s21;d22;s9s23;s6d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-WFGXQNQMXZFOEN_on_Q14416_WT,High,ChEMBL30,CHEMBL1095638,CCCCCCC1CN(c2ccc(C)cc2)C(=O)O1,WFGXQNQMXZFOEN,WFGXQNQMXZFOEN-UHFFFAOYSA-N,"InChI=1S/C16H23NO2/c1-3-4-5-6-7-15-12-17(16(18)19-15)14-10-8-13(2)9-11-14/h8-11,15H,3-7,12H2,1-2H3","""AuxInfo=1/0/N:1,14,2,3,4,5,6,12,15,11,16,8,13,10,7,17,9,18,19/E:(8,9)(10,11)/rA:19CCCCCCCCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s9;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-WFKCGVHRMKSZEI_on_P41594_WT,High,ChEMBL30,CHEMBL3958060,O=C1NC(c2cncc(C#CC3CCOCC3)c2)C(c2cccc(F)c2)O1,WFKCGVHRMKSZEI,WFKCGVHRMKSZEI-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O3/c22-18-3-1-2-16(11-18)20-19(24-21(25)27-20)17-10-15(12-23-13-17)5-4-14-6-8-26-9-7-14/h1-3,10-14,19-20H,6-9H2,(H,24,25)","""AuxInfo=1/1/N:22,21,23,11,10,13,17,14,16,18,26,8,6,12,9,20,5,24,4,19,2,25,7,3,1,15,27/E:(6,7)(8,9)/rA:27OCNCCCNCCCCCCCOCCCCCCCCCFCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s15;s12s16;s5d9;s4;s19;d20;s21;d22;s23;s24;s20d24;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869980;CHEMBL3869979,PMID:27856084,2016.0,PMID:27856084,2016,0,0;1,0,1;0,0,,=,  6.430;  7.110,6.77,0.34,0.34,2.0,6.77,0.34
-WFLIPNHMDZOSHU_on_P41594_WT,Medium,ChEMBL30,CHEMBL239594,O=C1Cc2c(N1)c(C(=O)Nc1cc(Cl)ccc1)ccc2,WFLIPNHMDZOSHU,WFLIPNHMDZOSHU-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O2/c16-10-4-2-5-11(8-10)17-15(20)12-6-1-3-9-7-13(19)18-14(9)12/h1-6,8H,7H2,(H,17,20)(H,18,19)","""AuxInfo=1/1/N:19,16,20,15,17,18,3,12,4,13,11,7,2,5,8,14,10,6,1,9/rA:20OCCCCNCCONCCCClCCCCCC/rB:d1;s2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;d7;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-WFOBJUCKVGSSAJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110578,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(C)C)c(Cl)c3)n2)cc(C)n1,WFOBJUCKVGSSAJ,WFOBJUCKVGSSAJ-UHFFFAOYSA-N,"InChI=1S/C24H27ClFN3O2/c1-14(2)31-22-6-5-17(11-20(22)25)24-28-23(18-9-15(3)27-16(4)10-18)21-7-8-30-19(12-26)13-29(21)24/h5-6,9-11,14,19H,7-8,12-13H2,1-4H3","""AuxInfo=1/0/N:22,23,1,30,17,18,7,8,3,28,26,11,13,21,2,29,16,4,10,24,6,19,5,15,25,12,31,27,14,9,20/E:(1,2)(3,4)(9,10)(15,16)/rA:31CCCCCCCCOCCFCNCCCCCOCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.270,8.27,0.0,0.0,1.0,8.27,0.0
-WFPGKHLTPZENGV_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2204438,COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1,WFPGKHLTPZENGV,WFPGKHLTPZENGV-UHFFFAOYSA-N,"InChI=1S/C22H23NO3/c1-22(25)13-15-23(16-14-22)21(24)19-9-5-17(6-10-19)3-4-18-7-11-20(26-2)12-8-18/h5-12,25H,13-16H2,1-2H3","""AuxInfo=1/0/N:19,1,8,7,10,24,5,25,11,23,4,26,17,21,16,22,9,6,12,3,13,18,15,14,20,2/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:26COCCCCCCCCCCCONCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s18;s18;s15s21;s12;s9d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,=,  5.300;  5.300,5.3,0.0,0.0,2.0,5.3,0.0
-WFRRJMYHDPXXFB_on_O00591_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_O14764_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P14867_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P18505_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P18507_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P28472_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P31644_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P34903_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P47869_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P47870_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P48169_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_P78334_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_Q16445_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFRRJMYHDPXXFB_on_Q99928_WT,Low,ChEMBL30,CHEMBL193203,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12,WFRRJMYHDPXXFB,WFRRJMYHDPXXFB-UHFFFAOYSA-N,"InChI=1S/C15H9BrN4O2/c16-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)17-15(22)20(19)18-13/h1-8H,(H,17,22)","""AuxInfo=1/1/N:8,7,9,6,15,20,16,19,14,17,4,5,13,11,2,18,3,21,10,22,12,1/E:(5,6)(7,8)/rA:22OCNCCCCCCNCOCCCCCBrCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s17;s14d19;d13;s2s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WFSJMYBJTKWATP_on_P18507_WT,Low,ChEMBL30,CHEMBL192524,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1,WFSJMYBJTKWATP,WFSJMYBJTKWATP-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-3-24-19(22)17-13-21(15-7-5-4-6-8-15)18(20-17)14-9-11-16(23-2)12-10-14/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,21,2,12,11,13,10,14,17,23,18,22,7,16,9,19,6,15,4,24,8,5,20,3/E:(5,6)(7,8)(9,10)(11,12)/rA:24CCOCOCCNCCCCCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s20;s19;s16d22;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-WFSJMYBJTKWATP_on_P47869_WT,Low,ChEMBL30,CHEMBL192524,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1,WFSJMYBJTKWATP,WFSJMYBJTKWATP-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-3-24-19(22)17-13-21(15-7-5-4-6-8-15)18(20-17)14-9-11-16(23-2)12-10-14/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,21,2,12,11,13,10,14,17,23,18,22,7,16,9,19,6,15,4,24,8,5,20,3/E:(5,6)(7,8)(9,10)(11,12)/rA:24CCOCOCCNCCCCCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s20;s19;s16d22;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-WFSJMYBJTKWATP_on_P47870_WT,Low,ChEMBL30,CHEMBL192524,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1,WFSJMYBJTKWATP,WFSJMYBJTKWATP-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-3-24-19(22)17-13-21(15-7-5-4-6-8-15)18(20-17)14-9-11-16(23-2)12-10-14/h4-13H,3H2,1-2H3","""AuxInfo=1/0/N:1,21,2,12,11,13,10,14,17,23,18,22,7,16,9,19,6,15,4,24,8,5,20,3/E:(5,6)(7,8)(9,10)(11,12)/rA:24CCOCOCCNCCCCCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s20;s19;s16d22;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-WFTLZGPAIOZPTP_on_O15399_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_O60391_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_Q05586_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_Q12879_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_Q13224_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFTLZGPAIOZPTP_on_Q14957_WT,Low,ChEMBL30,CHEMBL289779,Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1,WFTLZGPAIOZPTP,WFTLZGPAIOZPTP-UHFFFAOYSA-N,"InChI=1S/C8H2F4N2O2/c9-1-2(10)4(12)6-5(3(1)11)13-7(15)8(16)14-6/h(H,13,15)(H,14,16)","""AuxInfo=1/1/N:9,11,7,13,6,15,3,2,10,12,8,14,5,16,4,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16OCCONCCFCFCFCFCN/rB:s1;d2;s3;s3;d5;s6;s7;d7;s9;s9;s11;d11;s13;s6s13;s2d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WFXSTBNPVNZJHP_on_P41594_WT,High,ChEMBL30,CHEMBL363883,N#Cc1cccc(-n2cnc(-c3ncccc3)c2)c1,WFXSTBNPVNZJHP,WFXSTBNPVNZJHP-UHFFFAOYSA-N,"InChI=1S/C15H10N4/c16-9-12-4-3-5-13(8-12)19-10-15(18-11-19)14-6-1-2-7-17-14/h1-8,10-11H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,19,2,18,9,3,7,12,11,1,13,10,8/rA:19NCCCCCCNCNCCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257,PMID:15341479,2004.0,PMID:15341479,2004,1,0,0,0,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-WFYHVYROGYCGKP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112521,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(CF)c3)n2)cc(C)n1,WFYHVYROGYCGKP,WFYHVYROGYCGKP-UHFFFAOYSA-N,"InChI=1S/C22H23ClFN3O/c1-13-8-17(9-14(2)25-13)21-20-6-7-28-15(3)12-27(20)22(26-21)16-4-5-19(23)18(10-16)11-24/h4-5,8-10,15H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:1,27,11,16,17,7,8,3,25,23,21,12,2,26,10,15,4,20,18,6,5,14,19,22,28,24,13,9/E:(1,2)(8,9)(13,14)/rA:28CCCCCCCCOCCCNCCCCCClCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s15d20;s5d14;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-WGALJYRAUSZYPN_on_P14867_WT,Low,ChEMBL30,CHEMBL222979,Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1,WGALJYRAUSZYPN,WGALJYRAUSZYPN-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3/c23-20-18(19(25-22-20)15-10-12-21-13-11-15)14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,15,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:21,20,22,19,23,14,25,15,24,7,11,8,10,13,6,18,16,12,5,2,9,3,1,17,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNOCCCCNCCCCCCCOCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-WGALJYRAUSZYPN_on_P18507_WT,Low,ChEMBL30,CHEMBL222979,Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1,WGALJYRAUSZYPN,WGALJYRAUSZYPN-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3/c23-20-18(19(25-22-20)15-10-12-21-13-11-15)14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,15,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:21,20,22,19,23,14,25,15,24,7,11,8,10,13,6,18,16,12,5,2,9,3,1,17,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNOCCCCNCCCCCCCOCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-WGALJYRAUSZYPN_on_P28472_WT,Low,ChEMBL30,CHEMBL222979,Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1,WGALJYRAUSZYPN,WGALJYRAUSZYPN-UHFFFAOYSA-N,"InChI=1S/C20H20N2O3/c23-20-18(19(25-22-20)15-10-12-21-13-11-15)14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,15,21H,10-13H2,(H,22,23)","""AuxInfo=1/1/N:21,20,22,19,23,14,25,15,24,7,11,8,10,13,6,18,16,12,5,2,9,3,1,17,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25OCNOCCCCNCCCCCCCOCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-WGBUELOVOPBXDJ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3899023,CN1C(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)CC1(C)C,WGBUELOVOPBXDJ,WGBUELOVOPBXDJ-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-11-20-15(10-21-16)8-7-13-5-4-6-14(19)9-13/h4-6,9-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,18,19,7,21,12,16,9,6,3,22,17,8,20,2,5,4/E:(1,2)/rA:24CNCONCCNCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-WGFIFKNHVBVSBC_on_P41594_WT,High,ChEMBL30,CHEMBL398113,O=C(C=Cc1cc(Cl)ccc1NC(=O)c1ccccn1)c1ccccc1,WGFIFKNHVBVSBC,WGFIFKNHVBVSBC-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O2/c22-17-10-11-18(24-21(26)19-8-4-5-13-23-19)16(14-17)9-12-20(25)15-6-2-1-3-7-15/h1-14H,(H,24,26)","""AuxInfo=1/1/N:24,23,25,17,18,22,26,16,4,9,10,3,19,6,21,5,7,11,15,2,13,8,20,12,1,14/E:(2,3)(6,7)/rA:26OCCCCCCClCCCNCOCCCCCNCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s7;d7;s9;s5d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WGFODZXTAHUSAE_on_P18507_WT,Low,ChEMBL30,CHEMBL585326,CCOC(=O)c1c2Cn3c(C)nnc3-c3c(ccc(OC)c3)-n2cn1,WGFODZXTAHUSAE,WGFODZXTAHUSAE-UHFFFAOYSA-N,"InChI=1S/C17H17N5O3/c1-4-25-17(23)15-14-8-21-10(2)19-20-16(21)12-7-11(24-3)5-6-13(12)22(14)9-18-15/h5-7,9H,4,8H2,1-3H3","""AuxInfo=1/0/N:1,11,21,2,18,17,22,8,24,10,19,15,16,7,6,14,4,25,12,13,9,23,5,20,3/rA:25CCOCOCCCNCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d10;s12;s9d13;s14;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-WGFODZXTAHUSAE_on_P28472_WT,Low,ChEMBL30,CHEMBL585326,CCOC(=O)c1c2Cn3c(C)nnc3-c3c(ccc(OC)c3)-n2cn1,WGFODZXTAHUSAE,WGFODZXTAHUSAE-UHFFFAOYSA-N,"InChI=1S/C17H17N5O3/c1-4-25-17(23)15-14-8-21-10(2)19-20-16(21)12-7-11(24-3)5-6-13(12)22(14)9-18-15/h5-7,9H,4,8H2,1-3H3","""AuxInfo=1/0/N:1,11,21,2,18,17,22,8,24,10,19,15,16,7,6,14,4,25,12,13,9,23,5,20,3/rA:25CCOCOCCCNCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d10;s12;s9d13;s14;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-WGFODZXTAHUSAE_on_P31644_WT,Low,ChEMBL30,CHEMBL585326,CCOC(=O)c1c2Cn3c(C)nnc3-c3c(ccc(OC)c3)-n2cn1,WGFODZXTAHUSAE,WGFODZXTAHUSAE-UHFFFAOYSA-N,"InChI=1S/C17H17N5O3/c1-4-25-17(23)15-14-8-21-10(2)19-20-16(21)12-7-11(24-3)5-6-13(12)22(14)9-18-15/h5-7,9H,4,8H2,1-3H3","""AuxInfo=1/0/N:1,11,21,2,18,17,22,8,24,10,19,15,16,7,6,14,4,25,12,13,9,23,5,20,3/rA:25CCOCOCCCNCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d10;s12;s9d13;s14;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-WGGMOSPDSFAIDE_on_P41594_WT,High,ChEMBL30,CHEMBL1779885,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccc(Cl)c1)cc2,WGGMOSPDSFAIDE,WGGMOSPDSFAIDE-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O/c23-17-6-4-5-16(15-17)9-10-18-11-12-20-21(24-18)13-14-25(22(20)26)19-7-2-1-3-8-19/h4-6,11-12,15,19H,1-3,7-8,13-14H2","""AuxInfo=1/0/N:11,10,12,20,19,21,9,13,17,16,25,26,5,6,24,18,22,15,8,3,4,2,23,14,7,1/E:(2,3)(7,8)/rA:26OCCCCCNCCCCCCNCCCCCCCCClCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s22;s18d22;s15;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,0;1,0,1;0,0,,=,  4.920;  6.770,5.845,0.925,0.925,2.0,5.845,0.925
-WGNSVTSRCFUIGH_on_P41594_WT,High,ChEMBL30,CHEMBL2431421,Cc1c(F)ccc(-c2cn(CC(=O)N3CCc4c(CC3)sc(N)n4)c(-c3ccccc3)n2)c1,WGNSVTSRCFUIGH,WGNSVTSRCFUIGH-UHFFFAOYSA-N,"InChI=1S/C25H24FN5OS/c1-16-13-18(7-8-19(16)26)21-14-31(24(28-21)17-5-3-2-4-6-17)15-23(32)30-11-9-20-22(10-12-30)33-25(27)29-20/h2-8,13-14H,9-12,15H2,1H3,(H2,27,29)","""AuxInfo=1/1/N:1,29,28,30,27,31,6,5,16,19,15,20,33,9,11,2,26,7,3,17,8,18,12,25,22,4,23,32,24,14,10,13,21/E:(3,4)(5,6)/rA:33CCCFCCCCCNCCONCCCCCCSCNNCCCCCCCNC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;s14s19;s18;s21;s22;s17d22;s10;s25;d26;s27;d28;s29;s26d30;s8d25;s2d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-WGPFQCFVRYXRSD_on_P41594_WT,High,ChEMBL30,CHEMBL594295,Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCC(C)C3)cn2)cc1,WGPFQCFVRYXRSD,WGPFQCFVRYXRSD-UHFFFAOYSA-N,"InChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)","""AuxInfo=1/1/N:19,1,16,17,24,23,15,10,21,4,20,18,2,11,5,8,7,12,9,3,22,6,14,13/rA:24CCNCCNCCClCCCONCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s12;s14;s15;s16;s17;s18;s14s18;s11;s7d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065282;CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  6.510;  6.980,6.745,0.235,0.235,2.0,6.745,0.235
-WGPTWSWAWPQOGX_on_P41594_WT,High,ChEMBL30,CHEMBL2426603,O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1ccccc1)s2,WGPTWSWAWPQOGX,WGPTWSWAWPQOGX-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O2S/c20-13-6-8-14(9-7-13)22-11-10-16-18(19(22)23)25-17(21-16)12-24-15-4-2-1-3-5-15/h1-9H,10-12H2","""AuxInfo=1/0/N:22,21,23,20,24,10,13,9,14,5,6,17,11,8,19,4,16,3,2,12,15,7,1,18,25/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCNCCCCFCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  7.020;  7.020,7.02,0.0,0.0,2.0,7.02,0.0
-WGSCYEWTWWGSPY_on_P41594_WT,Low,ChEMBL30,CHEMBL3633973,CC(=O)N1CCCn2nc(CN(C)C3C4CC3C4)cc12,WGSCYEWTWWGSPY,WGSCYEWTWWGSPY-UHFFFAOYSA-N,"InChI=1S/C15H22N4O/c1-10(20)18-4-3-5-19-14(18)8-13(16-19)9-17(2)15-11-6-12(15)7-11/h8,11-12,15H,3-7,9H2,1-2H3","""AuxInfo=1/0/N:1,13,6,5,7,16,18,19,11,2,15,17,10,20,14,9,12,4,8,3/E:(6,7)(11,12)/rA:20CCONCCCNNCCNCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;s12;s14;s15;s14s16;s15s17;s10;s4s8d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-WGSYAZICWYDFSE_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,72163838;CHEMBL2418360;CHEMBL2418360,O=C(N1CCC2(CCCC2)CC1)N1CC2CN(c3ccccn3)CC2C1,WGSYAZICWYDFSE,WGSYAZICWYDFSE-UHFFFAOYSA-N,"InChI=1S/C21H30N4O/c26-20(23-11-8-21(9-12-23)6-2-3-7-21)25-15-17-13-24(14-18(17)16-25)19-5-1-4-10-22-19/h1,4-5,10,17-18H,2-3,6-9,11-16H2","""AuxInfo=1/0/N:20,8,9,21,19,7,10,5,11,22,4,12,16,24,14,26,15,25,18,2,6,23,3,17,13,1/E:(2,3)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:26OCNCCCCCCCCCNCCCNCCCCCNCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s6s9;s6;s3s11;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s17;s15s24;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:767436;CHEMBL2421151;CHEMBL2421151,PMID:23932792,2013.0,PubChemAID:767436;PMID:23932792;PMID:23932792,2014;2013;2013,0;1;1,0,0,0,1;0;0,,=,  6.114;  6.110;  6.110,6.111000000000001,0.002,0.001,3.0,6.11,0.0
-WGTVTOIDLDFGBS_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3977207,Fc1c(Cl)cc(Nc2c3ncccc3n[nH]2)cc1Cl,WGTVTOIDLDFGBS,WGTVTOIDLDFGBS-UHFFFAOYSA-N,"InChI=1S/C12H7Cl2FN4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)","""AuxInfo=1/1/N:12,13,11,5,17,6,3,18,14,2,9,8,4,19,1,10,7,15,16/E:(4,5)(7,8)(13,14)/rA:19FCCClCCNCCNCCCCNNCCCl/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s6;s2d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-WGUXZUJQKAYUSE_on_P14867_WT,Low,ChEMBL30,CHEMBL203985,N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WGUXZUJQKAYUSE,WGUXZUJQKAYUSE-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)15-9-12(5-7-24-15)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,10,24,11,25,27,2,15,9,3,8,13,14,19,17,20,21,22,23,1,12,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCNCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-WGUXZUJQKAYUSE_on_P34903_WT,Low,ChEMBL30,CHEMBL203985,N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WGUXZUJQKAYUSE,WGUXZUJQKAYUSE-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-6-8-27-16(11-25-18(27)26-17)15-9-12(5-7-24-15)14-4-2-1-3-13(14)10-23/h1-9,11H","""AuxInfo=1/0/N:5,6,4,7,10,24,11,25,27,2,15,9,3,8,13,14,19,17,20,21,22,23,1,12,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCCNCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-WGWLYPWXRZSIOO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3966492,Cc1cccc(C#Cc2ccc(N3CCC(C)(C)OC3=O)nc2)c1,WGWLYPWXRZSIOO,WGWLYPWXRZSIOO-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-15-5-4-6-16(13-15)7-8-17-9-10-18(21-14-17)22-12-11-20(2,3)24-19(22)23/h4-6,9-10,13-14H,11-12H2,1-3H3","""AuxInfo=1/0/N:1,17,18,4,3,5,7,8,10,11,15,14,24,23,2,6,9,12,20,16,22,13,21,19/E:(2,3)/rA:24CCCCCCCCCCCCNCCCCCOCONCC/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s13;s14;s15;s16;s16;s16;s13s19;d20;s12;s9d22;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-WGXUYTOJSXHKLX_on_P41594_WT,High,ChEMBL30,CHEMBL205576,Cc1cc(C(=O)N(C)Cc2cccnc2)cc(OCc2cc(Cl)ccc2)n1,WGXUYTOJSXHKLX,WGXUYTOJSXHKLX-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O2/c1-15-9-18(21(26)25(2)13-17-6-4-8-23-12-17)11-20(24-15)27-14-16-5-3-7-19(22)10-16/h3-12H,13-14H2,1-2H3","""AuxInfo=1/0/N:1,8,25,12,26,11,24,13,3,21,16,15,9,19,2,20,10,4,22,17,5,23,14,27,7,6,18/rA:27CCCCCONCCCCCCNCCCOCCCCClCCCN/rB:s1;d2;s3;s4;d5;s5;s7;s7;s9;d10;s11;d12;s13;s10d14;d4;s16;s17;s18;s19;d20;s21;s22;d22;s24;s20d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-WGZKTDQDWVKSQA_on_P41594_WT,Medium,ChEMBL30,CHEMBL3921138,CC1CN(c2ncc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C,WGZKTDQDWVKSQA,WGZKTDQDWVKSQA-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O2/c1-13-12-23(18(24)25-19(13,2)3)17-21-10-15(11-22-17)8-7-14-5-4-6-16(20)9-14/h4-6,9-11,13H,12H2,1-3H3","""AuxInfo=1/0/N:1,24,25,13,12,14,10,9,17,7,18,3,2,11,8,15,5,20,23,16,6,19,4,21,22/E:(2,3)(10,11)(21,22)/rA:25CCCNCNCCCCCCCCCFCCNCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s4;d20;s20;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-WGZWDHMUVIPPOA_on_P41594_WT,High,ChEMBL30,CHEMBL1672535,Cc1ncc(Nc2c(Cl)cc(-c3nc4c(cccc4)n3CC(C)C)cn2)cc1,WGZWDHMUVIPPOA,WGZWDHMUVIPPOA-UHFFFAOYSA-N,"InChI=1S/C22H22ClN5/c1-14(2)13-28-20-7-5-4-6-19(20)27-22(28)16-10-18(23)21(25-11-16)26-17-9-8-15(3)24-12-17/h4-12,14H,13H2,1-3H3,(H,25,26)","""AuxInfo=1/1/N:23,24,1,18,17,19,16,28,27,10,25,4,21,22,2,11,5,8,14,15,7,12,9,3,26,6,13,20/E:(1,2)/rA:28CCNCCNCCClCCCNCCCCCCNCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s13;d14;s15;d16;s17;s14d18;s12s15;s20;s21;s22;s22;s11;s7d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-WHAGLYKNWUROAY_on_P31644_WT,High,ChEMBL30,CHEMBL3681592,Cc1c(COc2ccc(C(=O)NC(C)(C)CO)cn2)c(-c2ccncn2)no1,WHAGLYKNWUROAY,WHAGLYKNWUROAY-UHFFFAOYSA-N,"InChI=1S/C19H21N5O4/c1-12-14(17(24-28-12)15-6-7-20-11-22-15)9-27-16-5-4-13(8-21-16)18(26)23-19(2,3)10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:1,14,15,8,7,22,23,18,4,16,25,2,9,3,21,6,20,10,13,24,19,26,12,27,17,11,5,28/E:(2,3)/rA:28CCCCOCCCCCONCCCCOCNCCCCNCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s13;s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-WHBLDZJCHZAMKR_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830715,c1csc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,WHBLDZJCHZAMKR,WHBLDZJCHZAMKR-UHFFFAOYSA-N,"InChI=1S/C12H11N5S2/c1-2-8-7(6-14-17-8)10-9(3-1)19-12(15-10)16-11-13-4-5-18-11/h4-6H,1-3H2,(H,14,17)(H,13,15,16)","""AuxInfo=1/1/N:11,12,10,1,2,15,14,13,9,8,4,6,19,16,7,5,17,3,18/rA:19CCSCNCNCCCCCCCCNNSN/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s8d13;s14;d15;s13s16;s6s9;s1d4;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WHDRJAWACNRMAR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,76328953;CHEMBL3122218,CCn1nc(-c2cnccc2C)c2c1nc(OCc1ccccn1)cn2,WHDRJAWACNRMAR,WHDRJAWACNRMAR-UHFFFAOYSA-N,"InChI=1S/C19H18N6O/c1-3-25-19-18(17(24-25)15-10-20-9-7-13(15)2)22-11-16(23-19)26-12-14-6-4-5-8-21-14/h4-11H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,12,2,21,22,20,10,23,9,7,25,18,11,19,6,16,5,13,14,8,24,26,15,4,3,17/rA:26CCNNCCCNCCCCCCNCOCCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s5;s3d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1071426;CHEMBL3124717,PMID:24392688,2014.0,PubChemAID:1071426;PMID:24392688,2014,0,0,0,0;1,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-WHEMCEZISVNXFW_on_Q13255_WT,High,ChEMBL30,CHEMBL2397346,CC1CN(c2c(C#N)cncc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2,WHEMCEZISVNXFW,WHEMCEZISVNXFW-UHFFFAOYSA-N,"InChI=1S/C22H28N4O/c1-15-14-25(20-2-3-24-13-19(20)12-23)4-5-26(15)21(27)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-3,13,15-18H,4-11,14H2,1H3","""AuxInfo=1/0/N:1,12,11,13,14,21,23,25,27,19,26,7,9,3,2,22,20,24,6,5,16,18,8,10,4,15,17/E:(6,7,8)(9,10,11)(16,17,18)/rA:27CCCNCCCNCNCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;t7;s6;d9;s10;s5d11;s4;s13;s2s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s18s24;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2399851,PMID:23727046,2013.0,PMID:23727046,2013,1,0,0,0,0,,=,  6.400;  6.400,6.4,0.0,0.0,2.0,6.4,0.0
-WHFYJBKUEYVYEX_on_Q13255_WT,High,ChEMBL30,CHEMBL3785499,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)ncs1,WHFYJBKUEYVYEX,WHFYJBKUEYVYEX-UHFFFAOYSA-N,"InChI=1S/C19H13Cl2N3O2S/c1-10-17(22-9-27-10)18(25)23-11-5-6-16(15(21)7-11)24-8-13-12(19(24)26)3-2-4-14(13)20/h2-7,9H,8H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,17,16,18,24,23,8,13,26,2,7,15,14,19,9,11,3,4,21,20,10,25,6,12,5,22,27/rA:27CCCCONCCCClCNCCCCCCCClCOCCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  6.020;  6.020,6.02,0.0,0.0,2.0,6.02,0.0
-WHGIBMIKSVYLCR_on_O00591_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_O14764_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P14867_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P18505_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P18507_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P28472_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P31644_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P34903_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P47869_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P47870_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P48169_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_P78334_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_Q16445_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHGIBMIKSVYLCR_on_Q99928_WT,Low,ChEMBL30,CHEMBL1193626,N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O,WHGIBMIKSVYLCR,WHGIBMIKSVYLCR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O4/c16-14-6-4-11(17-18(14)7-1-2-15(19)20)10-3-5-12-13(8-10)22-9-21-12/h3-6,8,16H,1-2,7,9H2,(H,19,20)","""AuxInfo=1/1/N:18,19,11,4,10,3,17,7,13,6,5,9,8,2,20,1,15,16,21,22,12,14/E:(19,20)/rA:22NCCCCCCCCCCOCONNCCCCOO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-WHIFAHNILXSDGV_on_Q14416_WT,High,ChEMBL30,CHEMBL183304,Cc1c(OCc2ccccc2Sc2ccncc2)ccc(C(=O)CC(C)C)c1O,WHIFAHNILXSDGV,WHIFAHNILXSDGV-UHFFFAOYSA-N,"InChI=1S/C24H25NO3S/c1-16(2)14-21(26)20-8-9-22(17(3)24(20)27)28-15-18-6-4-5-7-23(18)29-19-10-12-25-13-11-19/h4-13,16,27H,14-15H2,1-3H3","""AuxInfo=1/0/N:26,27,1,8,9,7,10,20,19,14,18,15,17,24,5,25,2,6,13,21,22,3,11,28,16,23,29,4,12/E:(1,2)(10,11)(12,13)/rA:29CCCOCCCCCCCSCCCNCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s6d10;s11;s12;d13;s14;d15;s16;s13d17;s3;d19;s20;s21;d22;s22;s24;s25;s25;s2d21;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WHKNNAYXAZUUKG_on_P41594_WT,Low,ChEMBL30,CHEMBL608982,O=C(c1ccc(Nc2c(Cl)cccc2)nc1)N1CCCCC1,WHKNNAYXAZUUKG,WHKNNAYXAZUUKG-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)","""AuxInfo=1/1/N:20,12,13,19,21,11,14,4,5,18,22,16,3,9,8,6,2,10,15,7,17,1/E:(4,5)(10,11)/rA:22OCCCCCNCCClCCCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WHMKZOBPYPISHR_on_Q05586_WT,Low,ChEMBL30,CHEMBL304070,c1ccc(CC2CCN(Cc3nc4c(cccc4)[nH]3)CC2)cc1,WHMKZOBPYPISHR,WHMKZOBPYPISHR-UHFFFAOYSA-N,"InChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,16,17,3,22,15,18,7,21,8,20,5,10,4,6,14,13,11,19,12,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(21,22)/rA:23CCCCCCCCNCCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s9;s6s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  6.150;  6.380,6.265,0.115,0.115,2.0,6.265,0.115
-WHMKZOBPYPISHR_on_Q13224_WT,Low,ChEMBL30,CHEMBL304070,c1ccc(CC2CCN(Cc3nc4c(cccc4)[nH]3)CC2)cc1,WHMKZOBPYPISHR,WHMKZOBPYPISHR-UHFFFAOYSA-N,"InChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,16,17,3,22,15,18,7,21,8,20,5,10,4,6,14,13,11,19,12,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(21,22)/rA:23CCCCCCCCNCCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s9;s6s20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL715186;CHEMBL752567,PMID:15056006,2004.0,PMID:15056006,2004,1;0,0,0,0;1,0,,=,  6.150;  6.380,6.265,0.115,0.115,2.0,6.265,0.115
-WHOGVVSYGNTALR_on_P41594_WT,High,ChEMBL30,CHEMBL2151488,Cc1cc(-c2noc(C3CN(C(=O)C4CCCC4)C3)n2)ccc1,WHOGVVSYGNTALR,WHOGVVSYGNTALR-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c1-12-5-4-8-14(9-12)16-19-17(23-20-16)15-10-21(11-15)18(22)13-6-2-3-7-13/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,16,17,22,23,15,18,21,3,10,19,2,14,4,9,5,8,12,20,6,11,13,7/E:(2,3)(6,7)(10,11)/rA:23CCCCCNOCCCNCOCCCCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s14s17;s9s11;s5d8;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-WHTWGNWMHRYODG_on_P41594_WT,Medium,ChEMBL30,CHEMBL245640,Cc1nc(NC(=O)c2cccc3c2nc(O)o3)ccn1,WHTWGNWMHRYODG,WHTWGNWMHRYODG-UHFFFAOYSA-N,"InChI=1S/C13H10N4O3/c1-7-14-6-5-10(15-7)16-12(18)8-3-2-4-9-11(8)17-13(19)20-9/h2-6H,1H3,(H,17,19)(H,14,15,16,18)","""AuxInfo=1/1/N:1,10,9,11,18,19,2,8,12,4,13,6,15,20,3,5,14,7,16,17/rA:20CCNCNCOCCCCCCNCOOCCN/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;s13;d14;s15;s12s15;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-WHUKUNVNTIAHGT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3958736,COc1ncc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cn1,WHUKUNVNTIAHGT,WHUKUNVNTIAHGT-UHFFFAOYSA-N,"InChI=1S/C20H18N6O2/c1-26-11-14(10-24-26)16-7-18(19(21)27)25-17-6-12(3-4-15(16)17)5-13-8-22-20(28-2)23-9-13/h3-4,6-11H,5H2,1-2H3,(H2,21,27)","""AuxInfo=1/1/N:16,1,9,10,7,26,19,5,27,18,14,8,6,13,11,12,25,20,21,3,22,4,28,17,24,15,23,2/E:(8,9)(22,23)/rA:28COCNCCCCCCCCCCNCNCCCCNONCCCN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;s15;s15;s13d17;d12;s19;s20;s21;d21;d20;s11s24;s8d25;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-WHUUTDBJXJRKMK_on_O00222_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL828593,PMID:10893301,2000.0,PMID:15603952,2005,1,0,0,0,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-WHUUTDBJXJRKMK_on_O15303_WT,Medium,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130;CHEMBL712215;CHEMBL712388,PMID:8759641,1996.0,PMID:10893301;PMID:8759641;PMID:9572889,2000;1996;1998,0,0;1;1,0,1;0;0,0,,=,  4.420;  4.700;  5.310,4.81,0.37200000000000005,0.263,3.0,4.7,0.28
-WHUUTDBJXJRKMK_on_O15399_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_O60391_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_P41594_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4371657;CHEMBL3391363;CHEMBL3391369;CHEMBL1018992;CHEMBL895146,PMID:7738999,1995.0,PMID:29939744;DOI:10.1039/C1MD00186H;DOI:10.1039/C1MD00186H;PMID:19042134;PMID:17725337,2018;2011;2011;2009;2007,0,1;1;0;0;0,0,0;0;1;1;1,0,,=,  4.800;  5.330;  5.330;  5.940;  6.410,5.562,0.557,0.278,5.0,5.33,0.53
-WHUUTDBJXJRKMK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_Q05586_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_Q12879_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_Q13224_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHUUTDBJXJRKMK_on_Q13255_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3391365;CHEMBL3391359;CHEMBL1018991;CHEMBL895144,PMID:7738999,1995.0,DOI:10.1039/C1MD00186H;DOI:10.1039/C1MD00186H;PMID:19042134;PMID:17725337,2011;2011;2009;2007,0,0;1;0;0,0,1;0;1;1,0,,=,  5.800;  5.800;  6.240;  6.600,6.11,0.335,0.193,4.0,6.02,0.22
-WHUUTDBJXJRKMK_on_Q14416_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3618565;CHEMBL3618567;CHEMBL3618561;CHEMBL895145;CHEMBL1671545;CHEMBL892218;CHEMBL1018993;CHEMBL3618563;CHEMBL3391360;CHEMBL3391366,PMID:7738999,1995.0,PMID:26313429;PMID:26313429;PMID:26313429;PMID:17725337;PMID:21232953;PMID:17350267;PMID:19042134;PMID:26313429;DOI:10.1039/C1MD00186H;DOI:10.1039/C1MD00186H,2015;2015;2015;2007;2011;2007;2009;2015;2011;2011,0,1;1;1;0;1;1;0;1;1;0,0,0;0;0;1;0;0;1;0;0;1,0,,=,  5.750;  5.590;  5.740;  4.960;  4.900;  4.580;  5.190;  5.630;  5.750;  5.740,5.382999999999999,0.415,0.138,10.0,5.61,0.14
-WHUUTDBJXJRKMK_on_Q14831_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3789017,PMID:7738999,1995.0,PMID:26814576,2016,0,1,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-WHUUTDBJXJRKMK_on_Q14832_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3391367;CHEMBL3391361;CHEMBL3618575;CHEMBL3618571;CHEMBL3618569;CHEMBL3618573,PMID:10397508,1999.0,DOI:10.1039/C1MD00186H;DOI:10.1039/C1MD00186H;PMID:26313429;PMID:26313429;PMID:26313429;PMID:26313429,2011;2011;2015;2015;2015;2015,0,0;1;1;1;1;1,0,1;0;0;0;0;0,0,,=,  7.240;  7.220;  5.290;  5.380;  6.000;  5.830,6.16,0.795,0.355,6.0,5.915,0.58
-WHUUTDBJXJRKMK_on_Q14833_WT,High,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3391362;CHEMBL3391368;CHEMBL1018994;CHEMBL895143,PMID:7738999,1995.0,DOI:10.1039/C1MD00186H;DOI:10.1039/C1MD00186H;PMID:19042134;PMID:17725337,2011;2011;2009;2007,0,1;0;0;0,0,0;1;1;1,0,,=,  5.500;  5.490;  5.850;  5.620,5.615,0.145,0.084,4.0,5.56,0.065
-WHUUTDBJXJRKMK_on_Q14957_WT,Low,ChEMBL30,CHEMBL575060,NC(CCC(=O)O)C(=O)O,WHUUTDBJXJRKMK,WHUUTDBJXJRKMK-UHFFFAOYSA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)","""AuxInfo=1/1/N:3,4,2,5,8,1,6,7,9,10/E:(7,8)(9,10)/rA:10NCCCCOOCOO/rB:s1;s2;s3;s4;d5;s5;s2;d8;s8;/rC:;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2208698,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WHWIRWYESVKFAU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL367145;11265888,CN(C)c1c(Cl)nc(C(=O)Nc2ncccc2)cn1,WHWIRWYESVKFAU,WHWIRWYESVKFAU-UHFFFAOYSA-N,"InChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19)","""AuxInfo=1/1/N:1,3,16,15,17,14,18,8,12,5,4,9,6,13,19,7,11,2,10/E:(1,2)/rA:19CNCCCClNCCONCNCCCCCN/rB:s1;s2;s2;d4;s5;s5;d7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s8;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  6.800;  6.801,6.8,0.001,0.001,2.0,6.8,0.001
-WHXSJNOPWKAYBT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3967755,CC(C)c1nc2c(cccc2)n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,WHXSJNOPWKAYBT,WHXSJNOPWKAYBT-UHFFFAOYSA-N,"InChI=1S/C27H23FN4O/c1-16(2)27-31-22-5-3-4-6-25(22)32(27)15-17-7-12-20-21(18-8-10-19(28)11-9-18)14-24(26(29)33)30-23(20)13-17/h3-14,16H,15H2,1-2H3,(H2,29,33)","""AuxInfo=1/1/N:1,3,10,9,11,8,15,20,25,21,24,16,33,26,13,2,14,19,22,17,18,6,32,27,7,28,4,23,29,31,5,12,30/E:(1,2)(8,9)(10,11)/rA:33CCCCNCCCCCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s2;d4;s5;d6;s7;d8;s9;s6d10;s4s7;s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s22;s19d24;d18;s26;s27;s28;d28;d27;s17s31;s14d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-WIAAIYJUCDAKFY_on_P41594_WT,Low,ChEMBL30,CHEMBL1783876,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,WIAAIYJUCDAKFY,WIAAIYJUCDAKFY-UHFFFAOYSA-N,"InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,10,3,9,15,17,20,5,6,13,12,7,25,4,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCCSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-WIAAIYJUCDAKFY_on_Q13255_WT,High,ChEMBL30,CHEMBL1783876,C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,WIAAIYJUCDAKFY,WIAAIYJUCDAKFY-UHFFFAOYSA-N,"InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)","""AuxInfo=1/1/N:1,22,2,18,24,19,23,10,3,9,15,17,20,5,6,13,12,7,25,4,8,14,16,26,21,11/E:(4,5)(6,7)/rA:26CCCNCCCNCCSCCNCNCCCCOCCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s17d23;s12s16;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665;CHEMBL1786743,PMID:19433355,2009.0,PMID:25127154;PMID:19433355,2014;2009,1,0,0,0,0,,=,  8.170;  8.680,8.425,0.255,0.255,2.0,8.425,0.255
-WIACWFSVQJVNGF_on_P14867_WT,Low,ChEMBL30,CHEMBL203781,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1,WIACWFSVQJVNGF,WIACWFSVQJVNGF-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)16-10-24-26-15(9-23-18(26)25-16)11-5-6-13(20)12(8-11)17-14(21)4-3-7-22-17/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,19,12,9,27,11,13,21,15,10,5,14,7,2,22,16,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-WIACWFSVQJVNGF_on_P18507_WT,Low,ChEMBL30,CHEMBL203781,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1,WIACWFSVQJVNGF,WIACWFSVQJVNGF-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)16-10-24-26-15(9-23-18(26)25-16)11-5-6-13(20)12(8-11)17-14(21)4-3-7-22-17/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,19,12,9,27,11,13,21,15,10,5,14,7,2,22,16,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863772;CHEMBL863774;CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.700;  8.470;  8.800,8.657,0.138,0.098,3.0,8.7,0.1
-WIACWFSVQJVNGF_on_P28472_WT,Low,ChEMBL30,CHEMBL203781,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1,WIACWFSVQJVNGF,WIACWFSVQJVNGF-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)16-10-24-26-15(9-23-18(26)25-16)11-5-6-13(20)12(8-11)17-14(21)4-3-7-22-17/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,19,12,9,27,11,13,21,15,10,5,14,7,2,22,16,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL862572;CHEMBL863772;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.800;  8.700;  8.470,8.657,0.138,0.098,3.0,8.7,0.1
-WIACWFSVQJVNGF_on_P31644_WT,Low,ChEMBL30,CHEMBL203781,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1,WIACWFSVQJVNGF,WIACWFSVQJVNGF-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)16-10-24-26-15(9-23-18(26)25-16)11-5-6-13(20)12(8-11)17-14(21)4-3-7-22-17/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,19,12,9,27,11,13,21,15,10,5,14,7,2,22,16,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-WIACWFSVQJVNGF_on_P34903_WT,Low,ChEMBL30,CHEMBL203781,CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1,WIACWFSVQJVNGF,WIACWFSVQJVNGF-UHFFFAOYSA-N,"InChI=1S/C19H15F2N5O/c1-19(2,27)16-10-24-26-15(9-23-18(26)25-16)11-5-6-13(20)12(8-11)17-14(21)4-3-7-22-17/h3-10,27H,1-2H3","""AuxInfo=1/0/N:1,3,18,17,24,23,19,12,9,27,11,13,21,15,10,5,14,7,2,22,16,20,8,26,6,25,4/E:(1,2)/rA:27CCCOCNCNCCCCCCCFCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;d13;s21;s21;s11d23;s7s10;s25;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-WIBMFCQFPKUTPZ_on_P41594_WT,Low,ChEMBL30,CHEMBL215300,COc1cccc(OCC#Cc2cc(C)ccn2)c1,WIBMFCQFPKUTPZ,WIBMFCQFPKUTPZ-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-8-9-17-14(11-13)5-4-10-19-16-7-3-6-15(12-16)18-2/h3,6-9,11-12H,10H2,1-2H3","""AuxInfo=1/0/N:15,1,5,10,11,4,6,16,17,9,13,19,14,12,3,7,18,2,8/rA:19COCCCCCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WIILZWDTWZFGNO_on_Q14833_WT,High,ChEMBL30,CHEMBL1830693,c1cnc(Nc2nc(-c3c[nH]nc3)cs2)cc1,WIILZWDTWZFGNO,WIILZWDTWZFGNO-UHFFFAOYSA-N,"InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)","""AuxInfo=1/1/N:17,1,16,2,10,13,14,9,8,4,6,3,11,12,7,5,15/E:(5,6)(13,14)/rA:17CCNCNCNCCCNNCCSCC/rB:d1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;s9d12;d8;s6s14;s4;s1d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-WIIOERFDLLICCO_on_P31644_WT,High,ChEMBL30,CHEMBL3681489,Cc1c(COc2ccc(C(=O)N3CCC(O)CC3)cn2)c(-c2ccccc2)no1,WIIOERFDLLICCO,WIIOERFDLLICCO-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4/c1-15-19(21(24-29-15)16-5-3-2-4-6-16)14-28-20-8-7-17(13-23-20)22(27)25-11-9-18(26)10-12-25/h2-8,13,18,26H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,25,24,26,23,27,8,7,14,17,13,18,19,4,2,22,9,15,3,6,21,10,20,28,12,16,11,5,29/E:(3,4)(5,6)(9,10)(11,12)/rA:29CCCCOCCCCCONCCCOCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s15;s12s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-WIJGMOCZIKDOGC_on_P14867_WT,Low,ChEMBL30,CHEMBL1091650,On1nc(-c2ccccc2)c(C2CCNCC2)c1Cc1ccc2ccccc2c1,WIJGMOCZIKDOGC,WIJGMOCZIKDOGC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-28-23(17-18-10-11-19-6-4-5-9-22(19)16-18)24(20-12-14-26-15-13-20)25(27-28)21-7-2-1-3-8-21/h1-11,16,20,26,29H,12-15,17H2","""AuxInfo=1/0/N:8,7,9,25,26,24,6,10,27,21,22,13,17,14,16,29,19,20,23,12,5,28,18,11,4,15,3,2,1/E:(2,3)(7,8)(12,13)(14,15)/rA:29ONNCCCCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s12;s13;s14;s15;s12s16;s2d11;s18;s19;d20;s21;d22;s23;d24;s25;d26;s23s27;s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.500;  5.500,5.5,0.0,0.0,2.0,5.5,0.0
-WIJGMOCZIKDOGC_on_P18507_WT,Low,ChEMBL30,CHEMBL1091650,On1nc(-c2ccccc2)c(C2CCNCC2)c1Cc1ccc2ccccc2c1,WIJGMOCZIKDOGC,WIJGMOCZIKDOGC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-28-23(17-18-10-11-19-6-4-5-9-22(19)16-18)24(20-12-14-26-15-13-20)25(27-28)21-7-2-1-3-8-21/h1-11,16,20,26,29H,12-15,17H2","""AuxInfo=1/0/N:8,7,9,25,26,24,6,10,27,21,22,13,17,14,16,29,19,20,23,12,5,28,18,11,4,15,3,2,1/E:(2,3)(7,8)(12,13)(14,15)/rA:29ONNCCCCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s12;s13;s14;s15;s12s16;s2d11;s18;s19;d20;s21;d22;s23;d24;s25;d26;s23s27;s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.500;  5.500,5.5,0.0,0.0,2.0,5.5,0.0
-WIJGMOCZIKDOGC_on_P47870_WT,Low,ChEMBL30,CHEMBL1091650,On1nc(-c2ccccc2)c(C2CCNCC2)c1Cc1ccc2ccccc2c1,WIJGMOCZIKDOGC,WIJGMOCZIKDOGC-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-28-23(17-18-10-11-19-6-4-5-9-22(19)16-18)24(20-12-14-26-15-13-20)25(27-28)21-7-2-1-3-8-21/h1-11,16,20,26,29H,12-15,17H2","""AuxInfo=1/0/N:8,7,9,25,26,24,6,10,27,21,22,13,17,14,16,29,19,20,23,12,5,28,18,11,4,15,3,2,1/E:(2,3)(7,8)(12,13)(14,15)/rA:29ONNCCCCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s5d9;s4;s11;s12;s13;s14;s15;s12s16;s2d11;s18;s19;d20;s21;d22;s23;d24;s25;d26;s23s27;s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.500;  5.500,5.5,0.0,0.0,2.0,5.5,0.0
-WIJXJAZNEMYMOR_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,5725798;CHEMBL475800,Cc1c(NN=Cc2ccccc2O)nc2ccccc2n1,WIJXJAZNEMYMOR,WIJXJAZNEMYMOR-UHFFFAOYSA-N,"InChI=1S/C16H14N4O/c1-11-16(19-14-8-4-3-7-13(14)18-11)20-17-10-12-6-2-5-9-15(12)21/h2-10,21H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,9,18,17,10,8,19,16,11,6,2,7,20,15,12,3,5,21,14,4,13/rA:21CCCNNCCCCCCCONCCCCCCN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;s3;d14;s15;d16;s17;d18;s15s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:371350;CHEMBL948800,PMID:19097893,2009.0,PubChemAID:371350;PMID:19097893,2010;2009,0,0;1,0,0,1;0,,=,  5.387;  5.390,5.388,0.002,0.002,2.0,5.388,0.002
-WIMMIFWDMSNGIA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44409635;CHEMBL427032,COc1ccc(COc2cc(C)cc(N3C(=O)c4c(cccc4)C3=O)c2)cc1,WIMMIFWDMSNGIA,WIMMIFWDMSNGIA-UHFFFAOYSA-N,"InChI=1S/C23H19NO4/c1-15-11-17(24-22(25)20-5-3-4-6-21(20)23(24)26)13-19(12-15)28-14-16-7-9-18(27-2)10-8-16/h3-13H,14H2,1-2H3","""AuxInfo=1/0/N:12,1,21,22,20,23,5,27,4,28,13,10,26,7,11,6,14,3,9,19,18,24,16,15,25,17,2,8/E:(3,4)(5,6)(7,8)(9,10)(20,21)(22,23)(25,26)/rA:28COCCCCCOCCCCCCNCOCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d11;s13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s15s19;d24;s9d14;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263351;CHEMBL860880,PMID:16439120,2006.0,PubChemAID:263351;PMID:16439120,2010;2006,0,0,0,0;1,1;0,,=,  5.824;  5.820,5.822,0.002,0.002,2.0,5.822,0.002
-WINCCLNWCXNRGO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3925103,CN1c2c(ccc(C3=CCN(C(=O)c4nocc4)C3)n2)N(CC2CC2(F)F)S1(=O)=O,WINCCLNWCXNRGO,WINCCLNWCXNRGO-UHFFFAOYSA-N,"InChI=1S/C18H17F2N5O4S/c1-23-16-15(25(30(23,27)28)10-12-8-18(12,19)20)3-2-13(21-16)11-4-6-24(9-11)17(26)14-5-7-29-22-14/h2-5,7,12H,6,8-10H2,1H3","""AuxInfo=1/0/N:1,6,5,9,18,10,17,24,19,22,8,23,7,14,4,3,12,25,26,27,20,15,2,11,21,13,29,30,16,28/E:(19,20)(27,28)/CRV:30.6/rA:30CNCCCCCCCCNCOCNOCCCNNCCCCFFSOO/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;s11;d12;s12;d14;s15;s16;s14d17;s8s11;s3d7;s4;s21;s22;s23;s23s24;s25;s25;s2s21;d28;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-WIULPOAMZNPPJM_on_O15399_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_O60391_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_Q05586_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_Q12879_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_Q13224_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIULPOAMZNPPJM_on_Q14957_WT,Low,ChEMBL30,CHEMBL81626,CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1,WIULPOAMZNPPJM,WIULPOAMZNPPJM-UHFFFAOYSA-N,"InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)","""AuxInfo=1/1/N:1,3,17,18,5,22,14,19,6,21,13,20,2,16,4,15,7,12,9,10,8,11/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)/rA:22CCCCCCCNCNNCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s16;s16;s15;s12d19;s7;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  4.570,4.57,0.0,0.0,1.0,4.57,0.0
-WIUZGXDWVAOSPN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113819,COc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1F,WIUZGXDWVAOSPN,WIUZGXDWVAOSPN-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O2/c1-13-10-15(6-8-23-13)20-18-7-9-27-14(2)12-25(18)21(24-20)16-4-5-19(26-3)17(22)11-16/h4-6,8,10-11,14H,7,9,12H2,1-3H3","""AuxInfo=1/0/N:15,22,1,5,4,11,18,12,19,16,25,23,14,21,10,6,26,17,3,9,7,27,13,8,24,2,20/rA:27COCCCCCNCCCCNCCCCCCOCCCNCCF/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;s6;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-WIVGIKIKQHUFOD_on_O00222_WT,Low,ChEMBL30,CHEMBL566581,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,WIVGIKIKQHUFOD,WIVGIKIKQHUFOD-UHFFFAOYSA-N,"InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,13,17,22,18,21,6,9,25,2,16,19,7,8,5,14,11,20,24,26,4,23,12,15,10/E:(1,2)(4,5)(6,7)/rA:26CCCNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;s10;s11;s12;s12;d14;s14;d16;s17;d18;s19;s19;s16d21;s8d11;d7;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL1046442,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WIVGIKIKQHUFOD_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16660135;CHEMBL566581,CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1,WIVGIKIKQHUFOD,WIVGIKIKQHUFOD-UHFFFAOYSA-N,"InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,15,19,24,20,23,26,11,7,2,18,21,9,10,5,16,13,22,8,6,4,25,14,17,12/E:(1,2)(4,5)(6,7)/rA:26CCCNCNCNCCCSCNCCOCCCCFCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;s14;d16;s16;d18;s19;d20;s21;s21;s18d23;s10d13;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:449313;CHEMBL1046438,PMID:19674894,2009.0,PubChemAID:449313;PMID:19674894,2010;2009,0;1,0,0,0,1;0,,=,  5.155;  5.160,5.1579999999999995,0.002,0.002,2.0,5.1579999999999995,0.002
-WIVGIKIKQHUFOD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL566581;16660135,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,WIVGIKIKQHUFOD,WIVGIKIKQHUFOD-UHFFFAOYSA-N,"InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,13,17,22,18,21,6,9,25,2,16,19,7,8,5,14,11,20,24,26,4,23,12,15,10/E:(1,2)(4,5)(6,7)/rA:26CCCNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;s10;s11;s12;s12;d14;s14;d16;s17;d18;s19;s19;s16d21;s8d11;d7;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437;PubChemAID:449312,PMID:19674894,2009.0,PMID:19674894;PubChemAID:449312,2009;2010,1;0,0,0,0,0;1,,=,  8.290;  8.292,8.291,0.001,0.001,2.0,8.291,0.001
-WIVGIKIKQHUFOD_on_Q14416_WT,Low,ChEMBL30,CHEMBL566581,CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1,WIVGIKIKQHUFOD,WIVGIKIKQHUFOD-UHFFFAOYSA-N,"InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,13,17,22,18,21,6,9,25,2,16,19,7,8,5,14,11,20,24,26,4,23,12,15,10/E:(1,2)(4,5)(6,7)/rA:26CCCNCCCCCSCNCCOCCCCFCCNNCN/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;s10;s11;s12;s12;d14;s14;d16;s17;d18;s19;s19;s16d21;s8d11;d7;s24;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1046441,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WIVNCNFPFSEZJX_on_P41594_WT,High,ChEMBL30,CHEMBL208505,Fc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1,WIVNCNFPFSEZJX,WIVNCNFPFSEZJX-UHFFFAOYSA-N,InChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H,"""AuxInfo=1/0/N:3,13,14,4,9,8,19,22,2,12,15,17,5,10,6,16,18,1,7,21,20,11/rA:22FCCCCCNCCCSCCCCClCClCNNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s15;s17;s12d17;s6d10;s5;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-WIZFLPRYSHVTTJ_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152113;71456562,N#Cc1c(-c2cc3c(cc2)n(CC2CC2)cc3)ccn2c(CC(F)(F)F)cnc12,WIZFLPRYSHVTTJ,WIZFLPRYSHVTTJ-UHFFFAOYSA-N,"InChI=1S/C22H17F3N4/c23-22(24,25)10-17-12-27-21-19(11-26)18(6-8-29(17)21)15-3-4-20-16(9-15)5-7-28(20)13-14-1-2-14/h3-9,12,14H,1-2,10,13H2","""AuxInfo=1/0/N:14,15,10,9,17,18,16,19,6,22,2,27,12,13,5,7,21,4,3,8,29,23,24,25,26,1,28,11,20/E:(1,2)(23,24,25)/rA:29NCCCCCCCCCNCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s13s14;s11;s7d16;s4;d18;s19;s20;s21;s22;s23;s23;s23;d21;s27;s3s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  6.720;  6.721,6.72,0.001,0.001,2.0,6.72,0.001
-WJEVLZCXIAMVMX_on_P41594_WT,Low,ChEMBL30,CHEMBL2408407,Cc1ccc(Nc2nc3c(cn2)C(=O)CCC3(C)C)cc1,WJEVLZCXIAMVMX,WJEVLZCXIAMVMX-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(21)8-9-17(2,3)15(13)20-16/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,18,19,3,21,4,20,15,16,11,2,5,10,13,9,7,17,12,6,8,14/E:(2,3)(4,5)(6,7)/rA:21CCCCCNCNCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s9s16;s17;s17;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-WJHYYQMBJGCZPZ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3892995,c1cc2n[nH]c(Nc3cncnc3)c2nc1,WJHYYQMBJGCZPZ,WJHYYQMBJGCZPZ-UHFFFAOYSA-N,"InChI=1S/C10H8N6/c1-2-8-9(13-3-1)10(16-15-8)14-7-4-11-6-12-5-7/h1-6H,(H2,14,15,16)","""AuxInfo=1/1/N:1,2,16,9,13,11,8,3,14,6,10,12,15,7,4,5/E:(4,5)(11,12)/rA:16CCCNNCNCCNCNCCNC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s3d6;s14;s1d15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.050,5.05,0.0,0.0,1.0,5.05,0.0
-WJIWFSOUXDVTMG_on_Q14833_WT,High,ChEMBL30,CHEMBL4081211,CC(=O)N1CC(Oc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)C1,WJIWFSOUXDVTMG,WJIWFSOUXDVTMG-UHFFFAOYSA-N,"InChI=1S/C21H17N3O4S/c1-12(25)24-10-15(11-24)27-14-2-3-19-16(6-14)17(23-26)7-20(28-19)18-8-21-13(9-22-18)4-5-29-21/h2-9,15,26H,10-11H2,1H3","""AuxInfo=1/0/N:1,9,10,18,19,28,23,22,16,5,29,2,17,8,6,27,24,14,11,13,21,15,25,4,3,26,7,12,20/E:(10,11)/rA:29CCONCCOCCCCOCCNCCCCSCCCCNOCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s17s20;s14d21;d13;s23;w?24;s25;s11s24;s8d27;s4s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-WJJNFNAESNJERO_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3986803,Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F,WJJNFNAESNJERO,WJJNFNAESNJERO-UHFFFAOYSA-N,"InChI=1S/C16H13FN4O3S/c1-11-8-13(5-6-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,16,17,15,22,23,18,3,20,9,2,10,4,24,14,12,25,19,21,11,8,13,6,7,5/E:(23,24)/CRV:25.6/rA:25CCCCSOONCCNCOCCCCCNCNCCCF/rB:s1;d2;s3;s4;d5;d5;s5;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s10;s8d20;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-WJLUROCTNUSXPD_on_Q14416_WT,High,ChEMBL30,CHEMBL4063313,OC1(C2CC2)CCC(Nc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1,WJLUROCTNUSXPD,WJLUROCTNUSXPD-UHFFFAOYSA-N,"InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2","""AuxInfo=1/0/N:27,28,32,4,5,33,7,34,31,6,35,30,25,13,26,14,3,8,15,11,10,24,16,21,2,17,12,18,19,20,9,23,22,29,1/E:(1,2)(4,5)(7,8)(10,11)(28,29,30)/rA:35OCCCCCCCNCCClCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;s2;s3;s3s4;s2;s6;s7;s8;s9;d10;s11;s11;d13;s14;d15;s16;s17;s17;s17;s16;d21;s22;d23;s24;s25;s26;s26s27;s21s24;s29;s15d30;s14;s10d32;s8;s2s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507;CHEMBL4040529,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0;1,0;0;1;0,1;0;0;0,0,,=,  9.050;  8.950;  8.820;  7.950,8.692,0.436,0.252,4.0,8.885,0.115
-WJSGSVHZTQIGQB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1258796,CC(C)NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F,WJSGSVHZTQIGQB,WJSGSVHZTQIGQB-UHFFFAOYSA-N,"InChI=1S/C19H24F3N5O2S/c1-10(2)24-7-11-8-27(26-16(11)19(20,21)22)9-14(28)25-18-15(17(23)29)12-5-3-4-6-13(12)30-18/h8,10,24H,3-7,9H2,1-2H3,(H2,23,29)(H,25,28)","""AuxInfo=1/1/N:1,3,22,21,23,20,5,7,9,2,6,18,19,10,14,26,15,13,27,28,29,30,16,4,12,25,8,11,17,24/E:(1,2)(20,21,22)/rA:30CCCNCCCNCCONCCCNOCCCCCCSNCCFFF/rB:s1;s2;s2;s4;s5;d6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s14;d18;s19;s20;s21;s18s22;s13s19;s8;s6d25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-WJXUZADENOKCTO_on_P41594_WT,High,ChEMBL30,CHEMBL3597599,N#Cc1cc(Cl)cc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)c1,WJXUZADENOKCTO,WJXUZADENOKCTO-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O2/c21-18-12-16(11-17(13-18)14-22)4-1-3-15-6-9-24(10-7-15)20-19(25(26)27)5-2-8-23-20/h2-3,5,8,11-13H,6-7,9-10H2","""AuxInfo=1/0/N:10,19,11,9,20,13,26,18,14,25,27,7,4,2,12,8,3,5,21,16,6,1,17,15,22,23,24/E:(6,7)(9,10)(26,27)/CRV:25.5/rA:27NCCCCClCCCCCCCCNCNCCCCN+OO-CCC/rB:t1;s2;d3;s4;s5;d5;s7;s8;t9;s10;w?11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;d22;s22;s15;s12s25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-WJXYNDZTPLEDDI_on_P31644_WT,High,ChEMBL30,CHEMBL3652870,CC1=NN=C(c2c(Cl)c3c(cccc3C(F)(F)F)s2)c2c(cc3nc(O)oc3c2)C1,WJXYNDZTPLEDDI,WJXYNDZTPLEDDI-UHFFFAOYSA-N,"InChI=1S/C20H11ClF3N3O2S/c1-8-5-9-6-12-13(29-19(28)25-12)7-10(9)17(27-26-8)18-16(21)15-11(20(22,23)24)3-2-4-14(15)30-18/h2-4,6-7H,5H2,1H3,(H,25,28)","""AuxInfo=1/1/N:1,12,13,11,30,22,29,2,21,20,14,23,28,10,9,7,5,6,25,15,8,16,17,18,24,3,4,26,27,19/E:(22,23,24)/rA:30CCNNCCCClCCCCCCCFFFSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;s7;d9;s10;d11;s12;s9d13;s14;s15;s15;s15;s6s10;s5;d20;s21;d22;s23;d24;s25;s25;s23s27;s20d28;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705380,PATENT:US8778932B2,2014.0,PATENT:US8778932B2,2014,1,0,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-WKDGTQVIDPACQY_on_P41594_WT,Low,ChEMBL30,CHEMBL3655615,N#Cc1cc(C(=O)Nc2ccnc(Oc3cccnc3)c2)ccc1,WKDGTQVIDPACQY,WKDGTQVIDPACQY-UHFFFAOYSA-N,"InChI=1S/C18H12N4O2/c19-11-13-3-1-4-14(9-13)18(23)22-15-6-8-21-17(10-15)24-16-5-2-7-20-12-16/h1-10,12H,(H,21,22,23)","""AuxInfo=1/1/N:23,17,24,22,16,10,18,11,4,21,2,20,3,5,9,15,13,6,1,19,12,8,7,14/rA:24NCCCCCONCCCNCOCCCCNCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-WKGQYKYGORJILM_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL187342;11950746,CC(C)(C)Cn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2,WKGQYKYGORJILM,WKGQYKYGORJILM-UHFFFAOYSA-N,"InChI=1S/C24H29N5O2/c1-24(2,3)17-29-13-12-19-16-21(10-11-22(19)29)31-15-5-4-14-30-20-8-6-18(7-9-20)23-25-27-28-26-23/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,25,26,27,28)","""AuxInfo=1/1/N:1,3,4,17,16,22,29,21,30,12,11,8,7,18,15,31,5,23,9,20,13,10,24,2,25,28,26,27,6,19,14/E:(1,2,3)(6,7)(8,9)(25,26)(27,28)/rA:31CCCCCNCCCCCCCOCCCCOCCCCCNNNNCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;s6d9;s10;d11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010;PubChemAID:240274,PMID:16005222,2005.0,PMID:16005222;PubChemAID:240274,2005;2010,0,1;0,0,0,0;1,,=,  5.450;  5.445,5.447,0.002,0.002,2.0,5.447,0.002
-WKGQZQOSXNTTNI_on_Q13224_WT,High,ChEMBL30,CHEMBL3735173,O=[N+]([O-])c1ccc2CCC(NCc3ccccc3)CCc2c1,WKGQZQOSXNTTNI,WKGQZQOSXNTTNI-UHFFFAOYSA-N,"InChI=1S/C18H20N2O2/c21-20(22)18-11-8-15-6-9-17(10-7-16(15)12-18)19-13-14-4-2-1-3-5-14/h1-5,8,11-12,17,19H,6-7,9-10,13H2","""AuxInfo=1/0/N:16,15,17,14,18,8,20,6,9,19,5,22,12,13,7,21,10,4,11,2,1,3/E:(2,3)(4,5)(21,22)/CRV:20.5/rA:22ON+O-CCCCCCCNCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10;s19;s7s20;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3737377,PMID:26531150,2015.0,PMID:26531150,2015,0,0,0,1,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-WKHRJQZGUZXFRC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3947768,CC1(C)CNC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1,WKHRJQZGUZXFRC,WKHRJQZGUZXFRC-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)13-21-18(23)22(14-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3,(H,21,23)","""AuxInfo=1/1/N:1,3,18,17,19,16,20,14,13,11,10,21,4,23,15,12,9,6,2,22,5,8,7/E:(1,2)(4,5)(6,7)/rA:23CCCCNCONCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s2s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WKJZYNVZBOIMRA_on_P14867_WT,Low,ChEMBL30,CHEMBL3289476,CCCN(CCC)C(=O)c1ccc(-c2ccc3OCOc3c2)cc1,WKJZYNVZBOIMRA,WKJZYNVZBOIMRA-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-3-11-21(12-4-2)20(22)16-7-5-15(6-8-16)17-9-10-18-19(13-17)24-14-23-18/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,23,11,24,15,16,3,5,22,19,13,10,14,17,21,8,4,9,18,20/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:24CCCNCCCCOCCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-WKJZYNVZBOIMRA_on_P18507_WT,Low,ChEMBL30,CHEMBL3289476,CCCN(CCC)C(=O)c1ccc(-c2ccc3OCOc3c2)cc1,WKJZYNVZBOIMRA,WKJZYNVZBOIMRA-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-3-11-21(12-4-2)20(22)16-7-5-15(6-8-16)17-9-10-18-19(13-17)24-14-23-18/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,23,11,24,15,16,3,5,22,19,13,10,14,17,21,8,4,9,18,20/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:24CCCNCCCCOCCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-WKJZYNVZBOIMRA_on_P47870_WT,Low,ChEMBL30,CHEMBL3289476,CCCN(CCC)C(=O)c1ccc(-c2ccc3OCOc3c2)cc1,WKJZYNVZBOIMRA,WKJZYNVZBOIMRA-UHFFFAOYSA-N,"InChI=1S/C20H23NO3/c1-3-11-21(12-4-2)20(22)16-7-5-15(6-8-16)17-9-10-18-19(13-17)24-14-23-18/h5-10,13H,3-4,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,12,23,11,24,15,16,3,5,22,19,13,10,14,17,21,8,4,9,18,20/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:24CCCNCCCCOCCCCCCCCOCOCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s13;d14;s15;d16;s17;s18;s19;s17s20;s14d21;s13;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.150,4.15,0.0,0.0,1.0,4.15,0.0
-WKMUEHICTZESCZ_on_P14867_WT,Low,ChEMBL30,CHEMBL2420450,On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1,WKMUEHICTZESCZ,WKMUEHICTZESCZ-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2","""AuxInfo=1/0/N:19,26,18,20,25,27,17,21,24,28,6,10,7,9,15,3,13,16,5,23,4,12,11,22,8,29,30,14,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONCCCCCNCCCCCNCCCCCCCCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;s26;s23d27;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.680;  6.670,6.675,0.005,0.005,2.0,6.675,0.005
-WKMUEHICTZESCZ_on_P18507_WT,Low,ChEMBL30,CHEMBL2420450,On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1,WKMUEHICTZESCZ,WKMUEHICTZESCZ-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2","""AuxInfo=1/0/N:19,26,18,20,25,27,17,21,24,28,6,10,7,9,15,3,13,16,5,23,4,12,11,22,8,29,30,14,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONCCCCCNCCCCCNCCCCCCCCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;s26;s23d27;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.670;  6.680,6.675,0.005,0.005,2.0,6.675,0.005
-WKMUEHICTZESCZ_on_P47870_WT,Low,ChEMBL30,CHEMBL2420450,On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1,WKMUEHICTZESCZ,WKMUEHICTZESCZ-UHFFFAOYSA-N,"InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2","""AuxInfo=1/0/N:19,26,18,20,25,27,17,21,24,28,6,10,7,9,15,3,13,16,5,23,4,12,11,22,8,29,30,14,2,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30ONCCCCCNCCCCCNCCCCCCCCCCCCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;s26;s23d27;s12d22;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2423449,PMID:23855889,2013.0,PMID:23855889,2013,1,0,0,0,0,,=,  6.670;  6.680,6.675,0.005,0.005,2.0,6.675,0.005
-WKOIRAKZQGBWCW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3915892,CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1,WKOIRAKZQGBWCW,WKOIRAKZQGBWCW-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-12-25-19(11-18(23-25)14-27-20-8-3-2-4-9-20)13-24(15)21(26)16-6-5-7-17(22)10-16/h2-11,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,12,11,13,23,22,24,10,14,27,15,3,17,7,2,21,25,6,16,9,19,26,5,18,4,20,8/E:(3,4)(8,9)/rA:27CCCNNCCOCCCCCCCCCNCOCCCCCFC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s9d13;s6;s4d15;s16;s2s17;s18;d19;s19;d21;s22;d23;s24;s25;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.970;  6.310,6.14,0.17,0.17,2.0,6.14,0.17
-WKOOILCXTVGJNN_on_P41594_WT,High,ChEMBL30,CHEMBL2338565,O=C(NC1CCCC(NC(=O)c2c(F)cccc2)C1)c1cc(Cl)ccc1,WKOOILCXTVGJNN,WKOOILCXTVGJNN-UHFFFAOYSA-N,"InChI=1S/C20H20ClFN2O2/c21-14-6-3-5-13(11-14)19(25)23-15-7-4-8-16(12-15)24-20(26)17-9-1-2-10-18(17)22/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:17,16,25,6,26,24,5,7,18,15,21,19,20,22,4,8,12,13,2,10,23,14,3,9,1,11/rA:26OCNCCCCCNCOCCFCCCCCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s13;d15;s16;s12d17;s4s8;s2;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343303;CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,0;1,0,0,1;0,0,,=,  6.120;  6.760,6.44,0.32,0.32,2.0,6.44,0.32
-WKPDYEGKAZHZGR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594115,CC12CCCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1,WKPDYEGKAZHZGR,WKPDYEGKAZHZGR-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-19-10-4-3-5-17(19)16-7-6-14-13-15(24-25(21,22)23)8-12-20(14,2)18(16)9-11-19;1-2-4-6-5-3-1/h14-18H,3-13H2,1-2H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,22,5,4,6,10,9,19,24,3,25,20,12,11,13,8,7,23,2,21,16,17,18,14,15;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCCCOSOOOCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s2s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-WKPDYEGKAZHZGR_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594115,CC12CCCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1,WKPDYEGKAZHZGR,WKPDYEGKAZHZGR-UHFFFAOYSA-N,"""InChI=1S/C20H34O4S.C5H5N/c1-19-10-4-3-5-17(19)16-7-6-14-13-15(24-25(21,22)23)8-12-20(14,2)18(16)9-11-19;1-2-4-6-5-3-1/h14-18H,3-13H2,1-2H3,(H,21,22,23);1-5H""","""AuxInfo=1/1/N:1,22,5,4,6,10,9,19,24,3,25,20,12,11,13,8,7,23,2,21,16,17,18,14,15;26,27,31,28,30,29/E:(21,22,23);(2,3)(4,5)/CRV:25.6;/rA:31CCCCCCCCCCCCCOSOOOCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s2s24;;d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-WKPIFWSNTOLSGJ_on_P41594_WT,High,ChEMBL30,CHEMBL372002,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ncccc1,WKPIFWSNTOLSGJ,WKPIFWSNTOLSGJ-UHFFFAOYSA-N,"InChI=1S/C21H16N4O/c26-21(18-13-7-8-14-22-18)23-20-15-19(16-9-3-1-4-10-16)24-25(20)17-11-5-2-6-12-17/h1-15H,(H,23,26)","""AuxInfo=1/1/N:10,18,9,11,17,19,25,24,8,12,16,20,26,23,5,7,15,21,6,4,2,22,3,13,14,1/E:(3,4)(5,6)(9,10)(11,12)/rA:26OCNCCCCCCCCCNNCCCCCCCNCCCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s4s13;s14;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WKTDHQXPGRIDHX_on_Q14416_WT,High,ChEMBL30,CHEMBL3221840,CCCn1ccc2c(cccc2NCc2cccc(OC)c2)c1=O,WKTDHQXPGRIDHX,WKTDHQXPGRIDHX-UHFFFAOYSA-N,"InChI=1S/C20H22N2O2/c1-3-11-22-12-10-17-18(20(22)23)8-5-9-19(17)21-14-15-6-4-7-16(13-15)24-2/h4-10,12-13,21H,3,11,14H2,1-2H3","""AuxInfo=1/0/N:1,21,2,17,10,16,18,9,11,6,3,5,22,14,15,19,7,8,12,23,13,4,24,20/rA:24CCCNCCCCCCCCNCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s19;s20;s15d19;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-WKTVGDLWNRLLKO_on_O15399_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_O60391_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_Q05586_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_Q12879_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_Q13224_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKTVGDLWNRLLKO_on_Q14957_WT,Low,ChEMBL30,CHEMBL81461,Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1,WKTVGDLWNRLLKO,WKTVGDLWNRLLKO-UHFFFAOYSA-N,"InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,20,19,21,18,12,10,17,14,15,2,11,13,9,16,3,8,5,6,4,7/E:(7,8,9,10)(12,13)(14,15)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s8s15;s11s16;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKVVGGNDJKHDHH_on_Q14416_WT,High,ChEMBL30,CHEMBL3763754,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(C(C)(C)O)ccc1C#N)cc2,WKVVGGNDJKHDHH,WKVVGGNDJKHDHH-UHFFFAOYSA-N,"InChI=1S/C22H26N4O2/c1-21(2,3)13-26-18-10-9-17(24-19(18)25(6)20(26)27)16-11-15(22(4,5)28)8-7-14(16)12-23/h7-11,28H,13H2,1-6H3","""AuxInfo=1/0/N:8,9,10,19,20,1,23,22,27,28,16,25,6,24,17,15,14,11,12,3,7,18,26,13,2,5,4,21/E:(1,2,3)(4,5)/rA:28CNCONCCCCCCCNCCCCCCCOCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;s17;s18;s18;s18;d17;s22;s15d23;s24;t25;s14;s11d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-WKWADEWWLCVVLF_on_P14867_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P18505_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P28472_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P31644_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P34903_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P47869_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P47870_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_P48169_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWADEWWLCVVLF_on_Q16445_WT,Low,ChEMBL30,CHEMBL1258223,CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1,WKWADEWWLCVVLF,WKWADEWWLCVVLF-UHFFFAOYSA-N,"InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3","""AuxInfo=1/0/N:1,22,2,3,7,26,4,6,27,16,17,25,9,8,13,23,20,14,19,11,24,21,5,12,15,18,10/E:(5,6)(8,9)/rA:27CCCCNCCCCOCOCCOCCOCCNCCClCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;s16;s17;s14s18;d19;s20;s21;s20;s23;s13d23;s8;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WKWBVYLGBRMCKP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3896222,CN1C(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)CCC1(C)C,WKWBVYLGBRMCKP,WKWBVYLGBRMCKP-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c1-19(2)9-10-24(18(25)23(19)3)17-13-21-16(12-22-17)8-7-14-5-4-6-15(20)11-14/h4-6,11-13H,9-10H2,1-3H3","""AuxInfo=1/0/N:24,25,1,14,13,15,11,10,22,21,18,19,7,12,16,9,6,3,23,17,8,20,2,5,4/E:(1,2)/rA:25CNCONCCNCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s2s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-WKYYFGMWPBWQAS_on_P18507_WT,Low,ChEMBL30,CHEMBL1081493,CC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,WKYYFGMWPBWQAS,WKYYFGMWPBWQAS-UHFFFAOYSA-N,"InChI=1S/C14H11ClN6O/c1-8(22)19-9-2-3-11-10(4-9)14-16-6-18-21(14)5-12-13(15)17-7-20(11)12/h2-4,6-7H,5H2,1H3,(H,19,22)","""AuxInfo=1/1/N:1,6,7,10,16,13,21,2,5,9,8,17,18,11,19,12,20,14,4,22,15,3/rA:22CCONCCCCCCCNCNNCCCClNCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;s18;d20;s8s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-WKYYFGMWPBWQAS_on_P28472_WT,Low,ChEMBL30,CHEMBL1081493,CC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,WKYYFGMWPBWQAS,WKYYFGMWPBWQAS-UHFFFAOYSA-N,"InChI=1S/C14H11ClN6O/c1-8(22)19-9-2-3-11-10(4-9)14-16-6-18-21(14)5-12-13(15)17-7-20(11)12/h2-4,6-7H,5H2,1H3,(H,19,22)","""AuxInfo=1/1/N:1,6,7,10,16,13,21,2,5,9,8,17,18,11,19,12,20,14,4,22,15,3/rA:22CCONCCCCCCCNCNNCCCClNCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;s18;d20;s8s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-WKYYFGMWPBWQAS_on_P31644_WT,Low,ChEMBL30,CHEMBL1081493,CC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,WKYYFGMWPBWQAS,WKYYFGMWPBWQAS-UHFFFAOYSA-N,"InChI=1S/C14H11ClN6O/c1-8(22)19-9-2-3-11-10(4-9)14-16-6-18-21(14)5-12-13(15)17-7-20(11)12/h2-4,6-7H,5H2,1H3,(H,19,22)","""AuxInfo=1/1/N:1,6,7,10,16,13,21,2,5,9,8,17,18,11,19,12,20,14,4,22,15,3/rA:22CCONCCCCCCCNCNNCCCClNCN/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;s18;d20;s8s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-WKZJSLBDANGESS_on_O15399_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.610;  4.980,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_O60391_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.610;  4.980,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.610;  4.980,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_Q05586_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.980;  5.610,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_Q12879_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.610;  4.980,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_Q13224_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.980;  5.610,5.295,0.315,0.315,2.0,5.295,0.315
-WKZJSLBDANGESS_on_Q14957_WT,Low,ChEMBL30,CHEMBL1183963,CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1,WKZJSLBDANGESS,WKZJSLBDANGESS-UHFFFAOYSA-N,"InChI=1S/C13H22N6O/c1-8(2)20-11-4-9(6-18-12(14)15)3-10(5-11)7-19-13(16)17/h3-5,8H,6-7H2,1-2H3,(H4,14,15,18)(H4,16,17,19)","""AuxInfo=1/1/N:1,3,13,6,20,8,15,2,7,14,5,10,17,11,12,18,19,9,16,4/E:(1,2)(4,5)(6,7)(9,10)(12,13)(14,15,16,17)(18,19)/gE:(1,2)/rA:20CCCOCCCCNCNNCCCNCNNC/rB:s1;s2;s2;s4;d5;s6;s7;s8;w?9;s10;s10;d7;s13;s14;s15;w?16;s17;s17;s5d14;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.610;  4.980,5.295,0.315,0.315,2.0,5.295,0.315
-WLDCYITZBHAYSF_on_Q14416_WT,Low,ChEMBL30,CHEMBL593248,N#Cc1c(N2CCN(c3ccccc3)CC2)ccn2c(-c3ccccc3)cnc12,WLDCYITZBHAYSF,WLDCYITZBHAYSF-UHFFFAOYSA-N,"InChI=1S/C24H21N5/c25-17-21-22(28-15-13-27(14-16-28)20-9-5-2-6-10-20)11-12-29-23(18-26-24(21)29)19-7-3-1-4-8-19/h1-12,18H,13-16H2","""AuxInfo=1/0/N:24,12,23,25,11,13,22,26,10,14,17,18,7,15,6,16,2,27,21,9,3,4,20,29,1,28,8,5,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:29NCCCNCCNCCCCCCCCCCNCCCCCCCCNC/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s8;s5s15;s4;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;d20;s27;s3s19d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-WLGIWTZAMCZKNC_on_Q14833_WT,High,ChEMBL30,CHEMBL3798197,Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)nccc1,WLGIWTZAMCZKNC,WLGIWTZAMCZKNC-UHFFFAOYSA-N,"InChI=1S/C20H15ClN4O2/c21-15-10-13(24-19(26)18-16(22)6-3-9-23-18)7-8-17(15)25-11-12-4-1-2-5-14(12)20(25)27/h1-10H,11,22H2,(H,24,26)","""AuxInfo=1/1/N:18,17,26,19,16,27,23,22,25,8,13,14,7,15,9,2,11,3,4,20,10,1,24,6,12,5,21/rA:27NCCCONCCCClCNCCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;d24;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  9.630;  6.630,8.13,1.5,1.5,2.0,8.13,1.5
-WLHFUBIRAHRPHA_on_P14867_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P18505_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P28472_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P31644_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P34903_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P47869_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P47870_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_P48169_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHFUBIRAHRPHA_on_Q16445_WT,Low,ChEMBL30,CHEMBL1258671,CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1,WLHFUBIRAHRPHA,WLHFUBIRAHRPHA-UHFFFAOYSA-N,"InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3","""AuxInfo=1/0/N:1,2,3,7,25,4,6,26,22,23,14,9,8,13,15,17,20,19,11,16,18,5,12,21,24,10/E:(4,5)(7,8)/rA:26CCCCNCCCCOCOCCCFCNCCOCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;d13;s14;s15;d15;s17;s17;s13d19;s20;s21;s22;s19s23;s8;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1259912,PMID:20812727,2010.0,PMID:20812727,2010,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WLHRDALLBOSVLX_on_P14867_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002;CHEMBL853068,PMID:16392789,2006.0,PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  8.350;  8.350,8.35,0.0,0.0,2.0,8.35,0.0
-WLHRDALLBOSVLX_on_P18507_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864002;CHEMBL853070;CHEMBL864005;CHEMBL864004;CHEMBL853068,PMID:16480260,2006.0,PMID:16392789;PMID:16480260;PMID:16392789;PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  8.350;  8.430;  8.920;  8.440;  8.350,8.498,0.214,0.107,5.0,8.43,0.08
-WLHRDALLBOSVLX_on_P28472_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853070;CHEMBL864005;CHEMBL864004;CHEMBL853068;CHEMBL864002,PMID:16480260,2006.0,PMID:16480260;PMID:16392789;PMID:16392789;PMID:16480260;PMID:16392789,2006,0,0,0,1,0,,=,  8.430;  8.920;  8.440;  8.350;  8.350,8.498,0.214,0.107,5.0,8.43,0.08
-WLHRDALLBOSVLX_on_P31644_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-WLHRDALLBOSVLX_on_P34903_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  8.440,8.44,0.0,0.0,1.0,8.44,0.0
-WLHRDALLBOSVLX_on_P47869_WT,Low,ChEMBL30,CHEMBL199411,Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1,WLHRDALLBOSVLX,WLHRDALLBOSVLX-UHFFFAOYSA-N,"InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3","""AuxInfo=1/0/N:1,16,15,10,17,11,9,14,24,23,3,21,19,6,2,12,8,18,13,7,4,20,5,22/rA:24CCCCNCCCCCCCCCCCCCCNCNCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;t19;s8d12;s4s7;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL853070,PMID:16480260,2006.0,PMID:16480260,2006,0,0,0,1,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-WLKJRCMNWNONOP_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771615;CHEMBL1771616,O=C(C1CCC1)N1CCCC(c2nc(-c3ncccc3)no2)C1,WLKJRCMNWNONOP,WLKJRCMNWNONOP-UHFFFAOYSA-N,"InChI=1S/C17H20N4O2/c22-17(12-5-3-6-12)21-10-4-7-13(11-21)16-19-15(20-23-16)14-8-1-2-9-18-14/h1-2,8-9,12-13H,3-7,10-11H2","""AuxInfo=1/0/N:19,18,5,9,4,6,10,20,17,8,23,3,11,15,14,12,2,16,13,21,7,1,22/E:(5,6)/rA:23OCCCCCNCCCCCNCCNCCCCNOC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-WLKVDLNUFITBBM_on_P31644_WT,High,ChEMBL30,CHEMBL3681535,Cc1c(COc2ccc(C(=O)n3ccc(O)n3)cn2)c(-c2ccccc2)no1,WLKVDLNUFITBBM,WLKVDLNUFITBBM-UHFFFAOYSA-N,"InChI=1S/C20H16N4O4/c1-13-16(19(23-28-13)14-5-3-2-4-6-14)12-27-18-8-7-15(11-21-18)20(26)24-10-9-17(25)22-24/h2-11H,12H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,24,23,25,22,26,8,7,14,13,18,4,2,21,9,3,15,6,20,10,19,17,27,12,16,11,5,28/E:(3,4)(5,6)/rA:28CCCCOCCCCCONCCCONCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;s15;s12d15;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-WLNPFFJULRQOST_on_Q14573_WT,Medium,ChEMBL30,CHEMBL297235,NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,WLNPFFJULRQOST,WLNPFFJULRQOST-UHFFFAOYSA-N,"InChI=1S/C9H22NO15P3/c10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19/h4-9,11-13H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:3,2,4,11,13,27,10,15,21,1,12,14,28,18,19,20,24,25,26,7,8,5,16,22,9,17,23,6/E:(14,15,16)(17,18,19)(20,21)/rA:28NCCCOPOOOCCOCOCOPOOOCOPOOOCO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s9;s10;s11;s11;s13;s13;s15;s16;d17;s17;s17;s15;s21;s22;d23;s23;s23;s10s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14573_WT,Q14573,WT,CHEMBL701348,PMID:10397504,1999.0,PMID:10397504,1999,0,0,1,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-WLNPFFJULRQOST_on_Q14643_WT,Medium,ChEMBL30,CHEMBL297235,NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,WLNPFFJULRQOST,WLNPFFJULRQOST-UHFFFAOYSA-N,"InChI=1S/C9H22NO15P3/c10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19/h4-9,11-13H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19)","""AuxInfo=1/1/N:3,2,4,11,13,27,10,15,21,1,12,14,28,18,19,20,24,25,26,7,8,5,16,22,9,17,23,6/E:(14,15,16)(17,18,19)(20,21)/rA:28NCCCOPOOOCCOCOCOPOOOCOPOOOCO/rB:s1;s2;s3;s4;s5;d6;s6;s6;s9;s10;s11;s11;s13;s13;s15;s16;d17;s17;s17;s15;s21;s22;d23;s23;s23;s10s21;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14643_WT,Q14643,WT,CHEMBL815029,PMID:11958992,2002.0,PMID:11958992,2002,0,0,1,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-WLXBUQCOAHAEJQ_on_P41594_WT,High,ChEMBL30,CHEMBL3702387,Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1,WLXBUQCOAHAEJQ,WLXBUQCOAHAEJQ-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O/c1-21-9-15(20-10-21)14-7-16-12-3-2-4-13(18)11(12)5-6-22(16)17(23)8-19-14/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,12,22,8,23,3,14,15,19,6,5,21,9,20,7,4,2,11,10/rA:23CNCNCCNCCONCCCCCCCCICCC/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.420,5.42,0.0,0.0,1.0,5.42,0.0
-WLXBUQCOAHAEJQ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702387,Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1,WLXBUQCOAHAEJQ,WLXBUQCOAHAEJQ-UHFFFAOYSA-N,"InChI=1S/C17H15IN4O/c1-21-9-15(20-10-21)14-7-16-12-3-2-4-13(18)11(12)5-6-22(16)17(23)8-19-14/h2-4,7,9-10H,5-6,8H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,12,22,8,23,3,14,15,19,6,5,21,9,20,7,4,2,11,10/rA:23CNCNCCNCCONCCCCCCCCICCC/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s11s15;s6w?21;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-WLXMZBWXBIVNKC_on_P41594_WT,High,ChEMBL30,CHEMBL178854,Cc1cc(C(=O)Nc2nc(C)ccc2)c(O)cc1,WLXMZBWXBIVNKC,WLXMZBWXBIVNKC-UHFFFAOYSA-N,"InChI=1S/C14H14N2O2/c1-9-6-7-12(17)11(8-9)14(18)16-13-5-3-4-10(2)15-13/h3-8,17H,1-2H3,(H,15,16,18)","""AuxInfo=1/1/N:1,11,13,12,14,18,17,3,2,10,4,15,8,5,9,7,16,6/rA:18CCCCCONCNCCCCCCOCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;d10;s12;s8d13;d4;s15;s15;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-WLXOVBADZLZCBY_on_P41594_WT,High,ChEMBL30,CHEMBL3644380,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CCC5)n4)C=C32)co1,WLXOVBADZLZCBY,WLXOVBADZLZCBY-UHFFFAOYSA-N,"InChI=1S/C23H22N6O2/c1-14-26-19(12-31-14)17-6-3-7-18-16(17)8-9-28-20(18)10-21(24-11-22(28)30)29-13-25-23(27-29)15-4-2-5-15/h3,6-7,10,12-13,15H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,25,7,24,26,6,8,11,12,28,16,30,20,2,23,10,5,9,4,29,18,14,22,17,21,3,27,13,19,15,31/E:(4,5)/rA:31CCNCCCCCCCCCNCOCNCNCNCCCCCNCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s24;s23s25;s19d22;s18;s9s13w?28;d4;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WLXOVBADZLZCBY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644380,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CCC5)n4)C=C32)co1,WLXOVBADZLZCBY,WLXOVBADZLZCBY-UHFFFAOYSA-N,"InChI=1S/C23H22N6O2/c1-14-26-19(12-31-14)17-6-3-7-18-16(17)8-9-28-20(18)10-21(24-11-22(28)30)29-13-25-23(27-29)15-4-2-5-15/h3,6-7,10,12-13,15H,2,4-5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,25,7,24,26,6,8,11,12,28,16,30,20,2,23,10,5,9,4,29,18,14,22,17,21,3,27,13,19,15,31/E:(4,5)/rA:31CCNCCCCCCCCCNCOCNCNCNCCCCCNCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s24;s23s25;s19d22;s18;s9s13w?28;d4;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-WLYANNSIDDXEGE_on_O00222_WT,High,ChEMBL30,CHEMBL2381652,NC1(C(=O)O)CC(F)C2C(C(=O)O)C21,WLYANNSIDDXEGE,WLYANNSIDDXEGE-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,8,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2382523,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-WLYANNSIDDXEGE_on_O15303_WT,High,ExCAPE-DB;ChEMBL30,15479143;CHEMBL2381652,NC1(C(=O)O)CC(F)C2C(C(=O)O)C21,WLYANNSIDDXEGE,WLYANNSIDDXEGE-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,8,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,PubChemAID:748163;CHEMBL2382646,PMID:23675965,2013.0,PubChemAID:748163;PMID:23675965,2014;2013,0,0;1,0,0,1;0,,=,  5.851;  5.850,5.851,0.001,0.001,2.0,5.851,0.001
-WLYANNSIDDXEGE_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,15479143;CHEMBL2381652,NC1(C(=O)O)CC(F)C2C(C(=O)O)C21,WLYANNSIDDXEGE,WLYANNSIDDXEGE-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,8,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:748171;CHEMBL2383450,PMID:23675965,2013.0,PubChemAID:748171;PMID:23675965,2014;2013,0,0;1,0,0,1;0,,=,  9.252;  9.250,9.251,0.001,0.001,2.0,9.251,0.001
-WLYANNSIDDXEGE_on_Q14832_WT,High,ChEMBL30,CHEMBL2381652,NC1(C(=O)O)CC(F)C2C(C(=O)O)C21,WLYANNSIDDXEGE,WLYANNSIDDXEGE-UHFFFAOYSA-N,"InChI=1S/C8H10FNO4/c9-2-1-8(10,7(13)14)5-3(2)4(5)6(11)12/h2-5H,1,10H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,8,1,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCFCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2383344,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  9.620,9.62,0.0,0.0,1.0,9.62,0.0
-WMBBZVHMQPQPSK_on_Q13255_WT,High,ChEMBL30,CHEMBL3628110,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)cc3Cl)C(=O)c2c1,WMBBZVHMQPQPSK,WMBBZVHMQPQPSK-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)17-6-4-13(10-16(17)22)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,19,20,28,22,2,17,12,5,27,23,9,16,14,6,25,24,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.260;  7.260,7.26,0.0,0.0,2.0,7.26,0.0
-WMBBZVHMQPQPSK_on_Q14833_WT,High,ChEMBL30,CHEMBL3628110,Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)cc3Cl)C(=O)c2c1,WMBBZVHMQPQPSK,WMBBZVHMQPQPSK-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)17-6-4-13(10-16(17)22)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)","""AuxInfo=1/1/N:1,18,3,11,4,10,19,20,28,22,2,17,12,5,27,23,9,16,14,6,25,24,13,8,15,7,26,21/rA:28CCCCCCONCCCCNCOCCCCCOCCClCOCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;d9;s10;d11;s12;s13;d14;s14;d16;s17;s17;d19;s16s20;s12;s9d22;s23;s8;d25;s5s25;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3631171,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  6.490;  6.490,6.49,0.0,0.0,2.0,6.49,0.0
-WMBPDZBHEAETLZ_on_P14867_WT,Low,ChEMBL30,CHEMBL49888,O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21,WMBPDZBHEAETLZ,WMBPDZBHEAETLZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2","""AuxInfo=1/0/N:6,5,7,27,26,4,8,28,25,18,19,10,22,17,3,29,24,11,12,13,16,2,21,20,14,9,23,1,15/E:(2,3)(6,7)(10,11)/rA:29OCCCCCCCNCCCCNOCCCCNNCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-WMBPDZBHEAETLZ_on_P18507_WT,Low,ChEMBL30,CHEMBL49888,O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21,WMBPDZBHEAETLZ,WMBPDZBHEAETLZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2","""AuxInfo=1/0/N:6,5,7,27,26,4,8,28,25,18,19,10,22,17,3,29,24,11,12,13,16,2,21,20,14,9,23,1,15/E:(2,3)(6,7)(10,11)/rA:29OCCCCCCCNCCCCNOCCCCNNCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677024;CHEMBL685347,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  9.520;  5.940,7.73,1.79,1.79,2.0,7.73,1.79
-WMBPDZBHEAETLZ_on_P47870_WT,Low,ChEMBL30,CHEMBL49888,O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21,WMBPDZBHEAETLZ,WMBPDZBHEAETLZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2","""AuxInfo=1/0/N:6,5,7,27,26,4,8,28,25,18,19,10,22,17,3,29,24,11,12,13,16,2,21,20,14,9,23,1,15/E:(2,3)(6,7)(10,11)/rA:29OCCCCCCCNCCCCNOCCCCNNCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685347;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  5.940;  9.520,7.73,1.79,1.79,2.0,7.73,1.79
-WMBPDZBHEAETLZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL49888,O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21,WMBPDZBHEAETLZ,WMBPDZBHEAETLZ-UHFFFAOYSA-N,"InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2","""AuxInfo=1/0/N:6,5,7,27,26,4,8,28,25,18,19,10,22,17,3,29,24,11,12,13,16,2,21,20,14,9,23,1,15/E:(2,3)(6,7)(10,11)/rA:29OCCCCCCCNCCCCNOCCCCNNCNCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s15;s16;s17;s17s18;s13d16;s12;d21;s11s22;s23;d24;s25;d26;s27;s9s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685347,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  5.940,5.94,0.0,0.0,1.0,5.94,0.0
-WMCJJXHYPNOCMT_on_O00591_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_O14764_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P14867_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P18505_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P18507_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P28472_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P31644_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P34903_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P47869_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P47870_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P48169_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_P78334_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_Q16445_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMCJJXHYPNOCMT_on_Q99928_WT,Low,ChEMBL30,CHEMBL92697,CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1,WMCJJXHYPNOCMT,WMCJJXHYPNOCMT-UHFFFAOYSA-N,"InChI=1S/C17H20O2S2/c1-17(2,3)14-10-20-16(21-11-14)13-7-4-12(5-8-13)6-9-15(18)19/h4-5,7-8,14,16H,10-11H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,3,4,11,18,13,10,19,14,6,21,12,9,5,15,8,2,16,17,7,20/E:(1,2,3)(4,5)(7,8)(10,11)(18,19)(20,21)/rA:21CCCCCCSCCCCCCCCOOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;d15;s15;s12;s9d18;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-WMELHJIVTWHZAR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2338574;71720146,O=C(NC1CCCC(NC(=O)c2nccnc2)C1)c1cc(Cl)ccc1,WMELHJIVTWHZAR,WMELHJIVTWHZAR-UHFFFAOYSA-N,"InChI=1S/C18H19ClN4O2/c19-13-4-1-3-12(9-13)17(24)22-14-5-2-6-15(10-14)23-18(25)16-11-20-7-8-21-16/h1,3-4,7-9,11,14-15H,2,5-6,10H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:24,6,25,23,5,7,15,14,20,18,17,19,21,4,8,12,2,10,22,16,13,3,9,1,11/rA:25OCNCCCCCNCOCNCCNCCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s4s8;s2;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;PubChemAID:729738,PMID:23357634,2013.0,PMID:23357634;PubChemAID:729738,2013,1;0,0,0,0,0;1,,=,  5.860;  5.863,5.862,0.002,0.002,2.0,5.862,0.002
-WMJNGKAPGOFTSV_on_P31644_WT,High,ChEMBL30,CHEMBL3676437,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(C2CCC(F)CN2)no1,WMJNGKAPGOFTSV,WMJNGKAPGOFTSV-UHFFFAOYSA-N,"InChI=1S/C19H23FN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2,7-8,13-14,16,21H,3-6,9-10H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,8,21,14,15,20,7,16,24,4,2,9,22,13,3,19,6,18,10,23,25,17,12,26,11,5,27/E:(4,5)/rA:27CCCCOCCCCCONCCCCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;s19;s20;s21;s22;s22;s19s24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-WMKYZRPEGSISJA_on_P41594_WT,High,ExCAPE-DB;ExCAPE-DB;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30,71560945;71560948;CHEMBL2338590;CHEMBL2338592;CHEMBL2338589;CHEMBL2338590,O=C(NC1CCCC(NC(=O)c2ccccn2)C1)c1cc(Cl)ccc1,WMKYZRPEGSISJA,WMKYZRPEGSISJA-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O2/c20-14-6-3-5-13(11-14)18(24)22-15-7-4-8-16(12-15)23-19(25)17-9-1-2-10-21-17/h1-3,5-6,9-11,15-16H,4,7-8,12H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:14,15,24,6,25,23,5,7,13,16,20,18,19,21,4,8,12,2,10,22,17,3,9,1,11/rA:25OCNCCCCCNCOCCCCCNCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s4s8;s2;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:729738;PubChemAID:729738;CHEMBL2343303;CHEMBL2343304;CHEMBL2343304;CHEMBL2343304,PMID:23357634,2013.0,PubChemAID:729738;PubChemAID:729738;PMID:23357634;PMID:23357634;PMID:23357634;PMID:23357634,2013,0;0;0;1;1;1,0,0,0;0;1;0;0;0,1;1;0;0;0;0,,=,  6.503;  5.821;  6.690;  5.820;  6.500;  7.210,6.4239999999999995,0.488,0.218,6.0,6.502000000000001,0.435
-WMWQHLURBIIHPM_on_Q13255_WT,High,ChEMBL30,CHEMBL1951878,Cc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1,WMWQHLURBIIHPM,WMWQHLURBIIHPM-UHFFFAOYSA-N,"InChI=1S/C20H17N3OS/c1-12-2-6-14(7-3-12)23-11-9-15-17-16(22-13-4-5-13)8-10-21-19(17)25-18(15)20(23)24/h2-3,6-11,13H,4-5H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,3,25,17,18,4,24,19,8,20,7,2,16,5,9,14,13,10,12,22,21,15,6,23,11/E:(2,3)(4,5)(6,7)/rA:25CCCCCNCCCCSCCCNCCCCCNCOCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s16;s16s17;d14;s19;s12d20;s6s10;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-WMYDDNATIVVRLS_on_P41594_WT,Low,ChEMBL30,CHEMBL1783871,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,WMYDDNATIVVRLS,WMYDDNATIVVRLS-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2S/c1-11(2)9-23-14-6-7-22-19-16(14)17-18(28-19)20(26)25(10-24-17)12-4-5-15(27-3)13(21)8-12/h4-8,10H,1,9H2,2-3H3,(H,22,23)","""AuxInfo=1/1/N:1,3,23,19,20,11,10,26,4,16,2,18,24,6,21,7,14,13,8,27,25,9,5,15,17,28,22,12/rA:28CCCCNCCCNCCSCCNCNCCCCOCCFCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s24;s18d24;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-WMYDDNATIVVRLS_on_Q13255_WT,High,ChEMBL30,CHEMBL1783871,C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,WMYDDNATIVVRLS,WMYDDNATIVVRLS-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2S/c1-11(2)9-23-14-6-7-22-19-16(14)17-18(28-19)20(26)25(10-24-17)12-4-5-15(27-3)13(21)8-12/h4-8,10H,1,9H2,2-3H3,(H,22,23)","""AuxInfo=1/1/N:1,3,23,19,20,11,10,26,4,16,2,18,24,6,21,7,14,13,8,27,25,9,5,15,17,28,22,12/rA:28CCCCNCCCNCCSCCNCNCCCCOCCFCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s24;s18d24;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-WNBNWGJNGDVFAS_on_P41594_WT,High,ChEMBL30,CHEMBL207733,Cc1cc(-n2ccnc2C)cc(OCc2cccc(Cl)c2)c1,WNBNWGJNGDVFAS,WNBNWGJNGDVFAS-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2O/c1-13-8-17(21-7-6-20-14(21)2)11-18(9-13)22-12-15-4-3-5-16(19)10-15/h3-11H,12H2,1-2H3","""AuxInfo=1/0/N:1,10,17,16,18,7,6,3,22,21,11,14,2,9,15,19,4,12,20,8,5,13/rA:22CCCCNCCNCCCCOCCCCCCClCC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d4;s11;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-WNDIDYSCZWXEJF_on_O00591_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_O14764_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P14867_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P18505_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P18507_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P28472_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P31644_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P34903_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P47869_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P47870_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P48169_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_P78334_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_Q16445_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNDIDYSCZWXEJF_on_Q99928_WT,Low,ChEMBL30,CHEMBL153195,CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,WNDIDYSCZWXEJF,WNDIDYSCZWXEJF-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4O3/c1-7(2)21-13(19)9-6-15-17-11-5-8(14)3-4-10(11)18(20)16-12(9)17/h3-7H,1-2H3","""AuxInfo=1/0/N:1,3,17,18,14,21,2,15,7,12,13,8,5,16,20,9,19,10,6,11,4/E:(1,2)/CRV:18.5/rA:21CCCOCOCCNN+O-CCCCClCCNNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s10;d12;s13;d14;s15;s15;s12d17;s8s13;s19;s7d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-WNILPHCEVJNPJL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930164,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)Cn1cncn1)cc2,WNILPHCEVJNPJL,WNILPHCEVJNPJL-UHFFFAOYSA-N,"InChI=1S/C23H29N7O2/c1-23(2,3)12-30-19-8-7-18(26-21(19)27(4)22(30)32)17-9-16-6-5-15(17)10-29(16)20(31)11-28-14-24-13-25-28/h7-9,13-16H,5-6,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,31,32,16,21,25,6,29,27,20,17,15,14,11,23,12,3,7,28,30,13,2,26,22,5,24,4/E:(1,2,3)/rA:32CNCONCCCCCCCNCCCCCCCCNCOCNCNCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;s25;s26;d27;s28;s26d29;s14;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888322;CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.940;  7.250,7.095,0.155,0.155,2.0,7.095,0.155
-WNOZOUHFGZKGNT_on_O00222_WT,High,ChEMBL30,CHEMBL3947221,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(O)C2C(C(=O)O)C21,WNOZOUHFGZKGNT,WNOZOUHFGZKGNT-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3869565,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-WNOZOUHFGZKGNT_on_O15303_WT,High,ChEMBL30,CHEMBL3947221,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(O)C2C(C(=O)O)C21,WNOZOUHFGZKGNT,WNOZOUHFGZKGNT-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3869561,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-WNOZOUHFGZKGNT_on_Q14416_WT,High,ChEMBL30,CHEMBL3909237;CHEMBL3909237;CHEMBL3947221;CHEMBL3947221,NC1(C(=O)O)C(OCc2cc(Cl)c(Cl)cc2)C(O)C2C(C(=O)O)C21,WNOZOUHFGZKGNT,WNOZOUHFGZKGNT-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:16,15,10,8,9,13,11,19,20,24,17,6,21,3,2,14,12,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCClCClCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;d11;s13;s13;s9d15;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869549;CHEMBL3869551;CHEMBL3869551;CHEMBL3869549,PMID:27836401,2016.0,PMID:27836401,2016,0;1;1;0,0,0,1;0;0;1,0,,=,  7.120;  6.770;  7.340;  7.700,7.232,0.33799999999999997,0.195,4.0,7.23,0.285
-WNOZOUHFGZKGNT_on_Q14831_WT,High,ChEMBL30,CHEMBL3947221,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(O)C2C(C(=O)O)C21,WNOZOUHFGZKGNT,WNOZOUHFGZKGNT-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3869563,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  4.980,4.98,0.0,0.0,1.0,4.98,0.0
-WNOZOUHFGZKGNT_on_Q14832_WT,High,ChEMBL30,CHEMBL3947221;CHEMBL3909237,NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(O)C2C(C(=O)O)C21,WNOZOUHFGZKGNT,WNOZOUHFGZKGNT-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:10,11,16,8,9,12,14,19,20,24,17,6,21,3,2,13,15,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCCCClCClCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;d11;s12;s12;s14;s9d14;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.340;  6.820,7.08,0.26,0.26,2.0,7.08,0.26
-WNPXUCYRKHVMAD_on_O15399_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_O60391_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_Q05586_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_Q12879_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_Q13224_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNPXUCYRKHVMAD_on_Q14957_WT,Low,ChEMBL30,CHEMBL1183425,N=C(N)NN=Cc1ccccc1,WNPXUCYRKHVMAD,WNPXUCYRKHVMAD-UHFFFAOYSA-N,"InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)","""AuxInfo=1/1/N:10,9,11,8,12,6,7,2,1,3,5,4/E:(2,3)(4,5)(9,10)/rA:12NCNNNCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WNSNNHHDGNOSEI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903327,NC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1,WNSNNHHDGNOSEI,WNSNNHHDGNOSEI-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN2O/c17-9-5-6-10(13(18)7-9)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)","""AuxInfo=1/1/N:17,18,16,19,9,8,12,5,10,7,15,6,13,20,4,2,11,14,1,21,3/rA:21NCOCCCCCCCClCCFCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;s13;d6;s15;d16;s17;d18;s15s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-WNUJWIVFLXIBCW_on_P41594_WT,High,ChEMBL30,CHEMBL3644425,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)CCC4)C3=C2)cn1,WNUJWIVFLXIBCW,WNUJWIVFLXIBCW-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O/c1-2-15-13-26(14-25-15)20-11-19-17-5-3-6-18(22(23)8-4-9-22)16(17)7-10-27(19)21(28)12-24-20/h3,5-6,11,13-14H,2,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,2,17,23,16,18,13,22,24,12,26,8,4,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10/E:(8,9)/rA:28CCCCNCNCCONCCCCCCCCCFCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-WNUJWIVFLXIBCW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644425,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)CCC4)C3=C2)cn1,WNUJWIVFLXIBCW,WNUJWIVFLXIBCW-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O/c1-2-15-13-26(14-25-15)20-11-19-17-5-3-6-18(22(23)8-4-9-22)16(17)7-10-27(19)21(28)12-24-20/h3,5-6,11,13-14H,2,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,2,17,23,16,18,13,22,24,12,26,8,4,27,3,14,15,19,25,6,9,20,21,7,28,5,11,10/E:(8,9)/rA:28CCCCNCNCCONCCCCCCCCCFCCCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s20;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-WNUWGRVHGICCLS_on_P31644_WT,High,ChEMBL30,CHEMBL3652871,CC1=NN=C(c2cc3c(cccc3F)s2)c2c(cc3nc(O)oc3c2)C1,WNUWGRVHGICCLS,WNUWGRVHGICCLS-UHFFFAOYSA-N,"InChI=1S/C19H12FN3O2S/c1-9-5-10-6-14-15(25-19(24)21-14)7-11(10)18(23-22-9)17-8-12-13(20)3-2-4-16(12)26-17/h2-4,6-8H,5H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,11,12,10,26,18,25,7,2,17,16,8,13,19,24,9,6,5,21,14,20,3,4,22,23,15/rA:26CCNNCCCCCCCCCFSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;s6s9;s5;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s2s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705380,PATENT:US8778932B2,2014.0,PATENT:US8778932B2,2014,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-WNVIILFIIUEONN_on_Q13255_WT,High,ChEMBL30,CHEMBL3785119,O=C(Nc1cc(Cl)c(N2Cc3c(cccc3Cl)C2=O)cc1)c1c(Cl)cccn1,WNVIILFIIUEONN,WNVIILFIIUEONN-UHFFFAOYSA-N,"InChI=1S/C20H12Cl3N3O2/c21-14-4-1-3-12-13(14)10-26(20(12)28)17-7-6-11(9-16(17)23)25-19(27)18-15(22)5-2-8-24-18/h1-9H,10H2,(H,25,27)","""AuxInfo=1/1/N:14,26,13,15,25,21,20,27,5,10,4,12,11,16,23,6,8,22,2,18,17,24,7,28,3,9,1,19/rA:28OCNCCCClCNCCCCCCCClCOCCCCClCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s10;d11;s12;d13;s14;s11d15;s16;s9s12;d18;s8;s4d20;s2;d22;s23;s23;d25;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.890;  5.900,5.895,0.005,0.005,2.0,5.895,0.005
-WNWQPLIGYGALGJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676514,COC(=O)c1cnc(OCc2c(C)onc2-c2ccccc2)c(Br)c1,WNWQPLIGYGALGJ,WNWQPLIGYGALGJ-UHFFFAOYSA-N,"InChI=1S/C18H15BrN2O4/c1-11-14(16(21-25-11)12-6-4-3-5-7-12)10-24-17-15(19)8-13(9-20-17)18(22)23-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,20,19,21,18,22,25,6,10,12,17,5,11,23,16,8,3,24,7,15,4,2,9,14/E:(4,5)(6,7)/rA:25COCOCCNCOCCCCONCCCCCCCCBrC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s23;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-WNWRXBNCDMTPAX_on_Q05586_WT,High,ChEMBL30,CHEMBL399700,COCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1)S(C)(=O)=O,WNWRXBNCDMTPAX,WNWRXBNCDMTPAX-UHFFFAOYSA-N,"InChI=1S/C13H16ClN3O5S/c1-22-5-3-4-17(23(2,20)21)10-7-8(14)6-9-11(10)16-13(19)12(18)15-9/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,19)","""AuxInfo=1/1/N:1,21,4,5,3,16,19,17,15,7,8,12,10,18,14,9,6,13,11,22,23,2,20/E:(20,21)/CRV:23.6/rA:23COCCCNCCNCOCONCCCClCSCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s17;s7d17;s6;s20;d20;d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-WNZFPXNGHPRJBI_on_P41594_WT,High,ChEMBL30,CHEMBL592904,O=C(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCCC1,WNZFPXNGHPRJBI,WNZFPXNGHPRJBI-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)","""AuxInfo=1/1/N:20,19,21,4,10,13,9,14,5,18,22,16,3,11,8,6,2,12,15,7,17,1/E:(2,3)(5,6)(7,8)(10,11)/rA:22OCCCCCNCCCCFCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-WOADNNTWYZOWNV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL225032;11537456,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCC2)c1=O,WOADNNTWYZOWNV,WOADNNTWYZOWNV-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,17,22,9,8,14,16,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)(7,8)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420;PubChemAID:282966,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282966,2005;2010,1;0,0,0,0,0;1,,=,  6.830;  6.833,6.832000000000001,0.002,0.002,2.0,6.832000000000001,0.002
-WOADNNTWYZOWNV_on_Q13255_WT,High,ChEMBL30,CHEMBL225032,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCC2)c1=O,WOADNNTWYZOWNV,WOADNNTWYZOWNV-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,21,17,22,9,8,14,16,4,5,12,11,6,23,7,13,2,15,24,10/E:(1,2)(3,4)(5,6)(7,8)/rA:24CNCCCCNCCSCCNCNCCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s16s21;s11s15;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-WOANZEXNQOLHHD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901744,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CCC1(C)C,WOANZEXNQOLHHD,WOANZEXNQOLHHD-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c1-20(2)13-14-23(19(24)22(20)3)18-12-11-17(15-21-18)10-9-16-7-5-4-6-8-16/h4-8,11-12,15H,13-14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,15,14,16,13,17,11,10,8,7,21,20,18,12,9,6,3,22,19,2,5,4/E:(1,2)(5,6)(7,8)/rA:24CNCONCCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-WOARKEXQNGOBIE_on_P14867_WT,Medium,ChEMBL30,CHEMBL344120,Cc1c(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cccc1,WOARKEXQNGOBIE,WOARKEXQNGOBIE-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,29,28,20,19,30,27,21,18,8,7,11,22,2,3,15,10,16,9,14,12,4,24,17,13,26,6,23,5,25/rA:30CCCCONCCCCCCNCCCFCCCCCNCONCCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s6s10;s10;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;d14;s12s22;s23;s24;s9d24;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL823141,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-WOARKEXQNGOBIE_on_P31644_WT,Medium,ChEMBL30,CHEMBL344120,Cc1c(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cccc1,WOARKEXQNGOBIE,WOARKEXQNGOBIE-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,29,28,20,19,30,27,21,18,8,7,11,22,2,3,15,10,16,9,14,12,4,24,17,13,26,6,23,5,25/rA:30CCCCONCCCCCCNCCCFCCCCCNCONCCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s6s10;s10;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;d14;s12s22;s23;s24;s9d24;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680330,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-WOARKEXQNGOBIE_on_P34903_WT,Medium,ChEMBL30,CHEMBL344120,Cc1c(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cccc1,WOARKEXQNGOBIE,WOARKEXQNGOBIE-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,29,28,20,19,30,27,21,18,8,7,11,22,2,3,15,10,16,9,14,12,4,24,17,13,26,6,23,5,25/rA:30CCCCONCCCCCCNCCCFCCCCCNCONCCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s6s10;s10;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;d14;s12s22;s23;s24;s9d24;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678894,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-WOARKEXQNGOBIE_on_P47869_WT,Medium,ChEMBL30,CHEMBL344120,Cc1c(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cccc1,WOARKEXQNGOBIE,WOARKEXQNGOBIE-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)","""AuxInfo=1/1/N:1,29,28,20,19,30,27,21,18,8,7,11,22,2,3,15,10,16,9,14,12,4,24,17,13,26,6,23,5,25/rA:30CCCCONCCCCCCNCCCFCCCCCNCONCCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s6s10;s10;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;d14;s12s22;s23;s24;s9d24;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:12408715,2002.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-WOBFFEQNUIJBHH_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013200,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1,WOBFFEQNUIJBHH,WOBFFEQNUIJBHH-UHFFFAOYSA-N,"InChI=1S/C18H19N3O2/c22-16-7-6-15-17(14(16)12-21-8-10-23-11-9-21)20-18(19-15)13-4-2-1-3-5-13/h1-7,22H,8-12H2,(H,19,20)","""AuxInfo=1/1/N:11,10,12,9,13,4,3,19,23,20,22,17,8,16,5,2,15,7,6,14,18,1,21/E:(2,3)(4,5)(8,9)(10,11)/rA:23OCCCCNCCCCCCCNCCCNCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-WOBFFEQNUIJBHH_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70683233;CHEMBL2013200,Oc1c(CN2CCOCC2)c2c(cc1)[nH]c(-c1ccccc1)n2,WOBFFEQNUIJBHH,WOBFFEQNUIJBHH-UHFFFAOYSA-N,"InChI=1S/C18H19N3O2/c22-16-7-6-15-17(14(16)12-21-8-10-23-11-9-21)20-18(19-15)13-4-2-1-3-5-13/h1-7,22H,8-12H2,(H,19,20)","""AuxInfo=1/1/N:20,19,21,18,22,13,14,6,10,7,9,4,17,3,12,2,11,16,15,23,5,1,8/E:(2,3)(4,5)(8,9)(10,11)/rA:23OCCCNCCOCCCCCCNCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s5s9;s3;d11;s12;s2d13;s12;s15;s16;d17;s18;d19;s20;s17d21;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-WOCOOEUMYFHJLA_on_P18507_WT,Low,ChEMBL30,CHEMBL565722,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,WOCOOEUMYFHJLA,WOCOOEUMYFHJLA-UHFFFAOYSA-N,"InChI=1S/C23H21N5O3/c1-3-31-23(29)21-19-13-27-20(11-15-7-5-4-6-8-15)25-26-22(27)17-12-16(30-2)9-10-18(17)28(19)14-24-21/h4-10,12,14H,3,11,13H2,1-2H3","""AuxInfo=1/0/N:1,27,2,15,14,16,13,17,24,23,11,28,8,30,12,25,21,22,7,10,6,20,4,31,18,19,9,29,5,26,3/E:(5,6)(7,8)/rA:31CCOCOCCCNCCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s26;s21d25;s7s22;s29;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WOCOOEUMYFHJLA_on_P28472_WT,Low,ChEMBL30,CHEMBL565722,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,WOCOOEUMYFHJLA,WOCOOEUMYFHJLA-UHFFFAOYSA-N,"InChI=1S/C23H21N5O3/c1-3-31-23(29)21-19-13-27-20(11-15-7-5-4-6-8-15)25-26-22(27)17-12-16(30-2)9-10-18(17)28(19)14-24-21/h4-10,12,14H,3,11,13H2,1-2H3","""AuxInfo=1/0/N:1,27,2,15,14,16,13,17,24,23,11,28,8,30,12,25,21,22,7,10,6,20,4,31,18,19,9,29,5,26,3/E:(5,6)(7,8)/rA:31CCOCOCCCNCCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s26;s21d25;s7s22;s29;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WOCOOEUMYFHJLA_on_P31644_WT,Low,ChEMBL30,CHEMBL565722,CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1,WOCOOEUMYFHJLA,WOCOOEUMYFHJLA-UHFFFAOYSA-N,"InChI=1S/C23H21N5O3/c1-3-31-23(29)21-19-13-27-20(11-15-7-5-4-6-8-15)25-26-22(27)17-12-16(30-2)9-10-18(17)28(19)14-24-21/h4-10,12,14H,3,11,13H2,1-2H3","""AuxInfo=1/0/N:1,27,2,15,14,16,13,17,24,23,11,28,8,30,12,25,21,22,7,10,6,20,4,31,18,19,9,29,5,26,3/E:(5,6)(7,8)/rA:31CCOCOCCCNCCCCCCCCNNCCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;d10;s18;s9d19;s20;d21;s22;d23;s24;s25;s26;s21d25;s7s22;s29;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WODCUWGGRUCBKO_on_P31644_WT,High,ChEMBL30,CHEMBL3676515,Cc1c(COc2ncc(C(=O)NC3CCOCC3)cc2Br)c(-c2ccccc2)no1,WODCUWGGRUCBKO,WODCUWGGRUCBKO-UHFFFAOYSA-N,"InChI=1S/C22H22BrN3O4/c1-14-18(20(26-30-14)15-5-3-2-4-6-15)13-29-22-19(23)11-16(12-24-22)21(27)25-17-7-9-28-10-8-17/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,26,25,27,24,28,14,18,15,17,19,8,4,2,23,9,13,3,20,22,10,6,21,7,12,29,11,16,5,30/E:(3,4)(5,6)(7,8)(9,10)/rA:30CCCCOCNCCCONCCCOCCCCBrCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-WOFNUIPWHBAZST_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107066,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F,WOFNUIPWHBAZST,WOFNUIPWHBAZST-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O3/c1-13-8-16(9-17(11-24)28-13)21-18-6-7-32-14(2)12-30(18)22(29-21)15-4-5-19(20(10-15)31-3)33-23(25,26)27/h4-5,8-10,14H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,23,1,26,27,19,20,10,17,4,15,24,11,22,5,9,14,18,28,3,8,6,30,16,31,32,33,13,7,25,2,21,29/E:(25,26,27)/rA:33COCCCCNCCCCCNCCFCCCCOCCCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s22;s6s18s24;d5;s26;s3d27;s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-WOFWJVKONSWFIM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL215941;11265885,Cc1nc(C#CCOc2ccc3CCCCc3c2)ccc1,WOFWJVKONSWFIM,WOFWJVKONSWFIM-UHFFFAOYSA-N,"InChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3","""AuxInfo=1/0/N:1,14,15,20,6,21,13,16,19,5,11,10,7,18,2,12,17,4,9,3,8/rA:21CCNCCCCOCCCCCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s13;s14;s15;s12s16;s9d17;d4;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285;PubChemAID:270777,PMID:16839764,2006.0,PMID:16839764;PubChemAID:270777,2006;2010,1;0,0,0,0,0;1,,=,  7.440;  7.444,7.442,0.002,0.002,2.0,7.442,0.002
-WOIDDZSLDVWACJ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,10131619;CHEMBL218547,O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1,WOIDDZSLDVWACJ,WOIDDZSLDVWACJ-UHFFFAOYSA-N,"InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)","""AuxInfo=1/1/N:8,7,9,6,10,13,22,19,12,23,20,15,4,14,5,17,2,18,16,11,1,3,21/E:(2,3)(4,5)(6,7)(9,10)/rA:23OCOCCCCCCCNCCCCNCNCCSCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s17s20;s14;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  6.914;  6.910,6.912000000000001,0.002,0.002,2.0,6.912000000000001,0.002
-WOJSDTUHUDWEKT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104260,O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC(F)(F)F)ccc1,WOJSDTUHUDWEKT,WOJSDTUHUDWEKT-UHFFFAOYSA-N,"InChI=1S/C15H12F6N2O3S/c16-14(17,18)10-27(24,25)23(9-11-3-2-6-22-8-11)12-4-1-5-13(7-12)26-15(19,20)21/h1-8H,9-10H2","""AuxInfo=1/0/N:26,15,16,27,25,14,18,12,10,4,11,17,19,5,21,6,7,8,22,23,24,13,9,1,3,20,2/E:(16,17,18)(19,20,21)(24,25)/CRV:27.6/rA:27OSOCCFFFNCCCNCCCCCCOCFFFCCC/rB:d1;d2;s2;s4;s5;s5;s5;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;s20;s21;s21;s21;d19;s25;s17d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-WOLUACOHPFWBIX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11665793;CHEMBL202002,COc1ccccc1C#Cc1csc(C)n1,WOLUACOHPFWBIX,WOLUACOHPFWBIX-UHFFFAOYSA-N,"InChI=1S/C13H11NOS/c1-10-14-12(9-16-10)8-7-11-5-3-4-6-13(11)15-2/h3-6,9H,1-2H3","""AuxInfo=1/0/N:15,1,6,5,7,4,9,10,12,14,8,11,3,16,2,13/rA:16COCCCCCCCCCCSCCN/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;t9;s10;d11;s12;s13;s14;s11d14;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  7.440;  7.440,7.44,0.0,0.0,2.0,7.44,0.0
-WOMNBEXCLNNLNE_on_P41594_WT,Medium,ChEMBL30,CHEMBL186788,Cc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,WOMNBEXCLNNLNE,WOMNBEXCLNNLNE-UHFFFAOYSA-N,"InChI=1S/C19H15N5/c1-14-7-2-3-10-17(14)15-8-6-9-16(13-15)24-22-19(21-23-24)18-11-4-5-12-20-18/h2-13H,1H3","""AuxInfo=1/0/N:1,23,22,17,16,6,24,5,7,21,18,15,20,2,4,8,3,13,12,14,11,19,10,9/rA:24CCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s9d12;s4d8;s3;d21;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-WOOXFLPCMNOANB_on_P41594_WT,High,ChEMBL30,CHEMBL3672909,Cc1nc2c(CCN(C(=O)c3nn4cc(Cl)cnc4c3)CC2)s1,WOOXFLPCMNOANB,WOOXFLPCMNOANB-UHFFFAOYSA-N,"InChI=1S/C15H14ClN5OS/c1-9-18-11-2-4-20(5-3-13(11)23-9)15(22)12-6-14-17-7-10(16)8-21(14)19-12/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,22,6,21,7,20,17,14,2,15,4,11,5,19,9,16,18,3,12,8,13,10,23/rA:23CCNCCCCNCOCNNCCClCNCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;d11;s12;s13;d14;s15;s15;d17;s13s18;s11d19;s8;s4s21;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705431,PATENT:US9029360B2,2015.0,PATENT:US9029360B2,2015,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-WOPOLALWYSRMNA_on_Q13255_WT,High,ChEMBL30,CHEMBL3758216,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)ncs1,WOPOLALWYSRMNA,WOPOLALWYSRMNA-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O3S/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(21)7-11)24-18(26)12-4-2-10(20)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,18,24,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCClCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  7.290;  7.300,7.295,0.005,0.005,2.0,7.295,0.005
-WOPOLALWYSRMNA_on_Q14833_WT,High,ChEMBL30,CHEMBL3758216,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)ncs1,WOPOLALWYSRMNA,WOPOLALWYSRMNA-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O3S/c1-9-16(22-8-28-9)17(25)23-11-3-5-15(14(21)7-11)24-18(26)12-4-2-10(20)6-13(12)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,8,20,9,16,25,27,2,17,7,14,15,23,10,3,4,12,21,18,24,26,6,11,5,13,22,28/rA:28CCCCONCCCCNCOCCCCClCCCOCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-WORQQKQUALDMPV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70681338;CHEMBL2022166,Cc1cc(NC(=O)NC2=NC(=O)CCN2C)ccc1,WORQQKQUALDMPV,WORQQKQUALDMPV-UHFFFAOYSA-N,"InChI=1S/C13H16N4O2/c1-9-4-3-5-10(8-9)14-13(19)16-12-15-11(18)6-7-17(12)2/h3-5,8H,6-7H2,1-2H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,16,18,19,17,13,14,3,2,4,11,9,6,5,10,8,15,12,7/rA:19CCCCNCONCNCOCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s6;s8;w?9;s10;d11;s11;s13;s9s14;s15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  6.060;  6.060,6.06,0.0,0.0,2.0,6.06,0.0
-WORTYRSSHFTZAB_on_P14867_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-WORTYRSSHFTZAB_on_P18507_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510;  6.920;  8.330;  7.500,7.315,0.6829999999999999,0.395,4.0,7.21,0.495
-WORTYRSSHFTZAB_on_P28472_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.330;  6.510;  6.920;  7.500,7.315,0.6829999999999999,0.395,4.0,7.21,0.495
-WORTYRSSHFTZAB_on_P31644_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.330,8.33,0.0,0.0,1.0,8.33,0.0
-WORTYRSSHFTZAB_on_P34903_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-WORTYRSSHFTZAB_on_P47869_WT,Low,ChEMBL30,CHEMBL427313,Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1,WORTYRSSHFTZAB,WORTYRSSHFTZAB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-5-7-18(8-6-15)22-26-27-23-20-16-9-11-17(12-10-16)21(20)24(28-29(22)23)30-14-19-4-2-3-13-25-19/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,3,30,4,29,25,27,24,28,17,14,2,26,23,5,15,10,11,6,9,12,16,7,8,21,22,13/E:(5,6)(7,8)(9,10)(11,12)/rA:30CCCCCCNNCCCCOCCNCCCCNNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-WOVCIYDTMVKXAA_on_P41594_WT,High,ChEMBL30,CHEMBL258050,Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1,WOVCIYDTMVKXAA,WOVCIYDTMVKXAA-UHFFFAOYSA-N,"InChI=1S/C22H18F3N3O2/c1-15-13-28-14-17(21(29)27-7-9-30-10-8-27)12-20(28)19(26-15)6-5-16-3-2-4-18(11-16)22(23,24)25/h2-4,11-14H,7-10H2,1H3","""AuxInfo=1/0/N:1,28,29,27,19,18,10,14,11,13,21,15,3,5,2,20,6,22,17,16,7,23,24,25,26,30,9,4,8,12/E:(7,8)(9,10)(23,24,25)/rA:30CCCNCCCONCCOCCCCCCCCCCCFFFCCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s6;s4d15;s16;s17;t18;s19;d20;s21;s22;s23;s23;s23;d22;s27;s20d28;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-WOXGCAVUJHNRNQ_on_P31644_WT,High,ChEMBL30,CHEMBL3681524,Cc1c(COc2ccc(C(=O)NC3CC(OCc4ccccc4)C3)cn2)c(-c2ccccc2)no1,WOXGCAVUJHNRNQ,WOXGCAVUJHNRNQ-UHFFFAOYSA-N,"InChI=1S/C28H27N3O4/c1-19-25(27(31-35-19)21-10-6-3-7-11-21)18-34-26-13-12-22(16-29-26)28(32)30-23-14-24(15-23)33-17-20-8-4-2-5-9-20/h2-13,16,23-24H,14-15,17-18H2,1H3,(H,30,32)","""AuxInfo=1/1/N:1,21,31,20,22,30,32,19,23,29,33,8,7,14,24,25,17,4,2,18,28,9,13,15,3,6,27,10,26,12,34,11,16,5,35/E:(4,5)(6,7)(8,9)(10,11)(14,15)/rA:35CCCCOCCCCCONCCCOCCCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s13s15;s9;s6d25;s3;s27;d28;s29;d30;s31;s28d32;d27;s2s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.590;  8.920,8.755,0.165,0.165,2.0,8.755,0.165
-WPBRSJXCRWSAHJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL48029,c1ccc(COc2ccc(CCNc3ccncc3)cc2)cc1,WPBRSJXCRWSAHJ,WPBRSJXCRWSAHJ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,3,22,9,20,8,21,11,15,19,16,18,12,5,10,4,14,7,17,13,6/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:23CCCCCOCCCCCCNCCCNCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s10;s7d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL856829,PMID:17249648,2007.0,PMID:17249648,2007,1,0,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-WPBRSJXCRWSAHJ_on_Q13224_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL48029;CHEMBL48029;44292136,c1ccc(COc2ccc(CCNc3ccncc3)cc2)cc1,WPBRSJXCRWSAHJ,WPBRSJXCRWSAHJ-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)","""AuxInfo=1/1/N:1,2,23,3,22,9,20,8,21,11,15,19,16,18,12,5,10,4,14,7,17,13,6/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:23CCCCCOCCCCCCNCCCNCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s10;s7d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL856828;CHEMBL856830;PubChemAID:277227,PMID:17249648,2007.0,PMID:17249648;PMID:17249648;PubChemAID:277227,2007;2007;2010,1;0;0,0,0,0;1;0,0;0;1,,=,  6.990;  7.030;  7.032,7.017,0.019,0.013999999999999999,3.0,7.03,0.002
-WPJDKKSDGLIQQB_on_O00591_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_O14764_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P14867_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P18505_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P18507_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P28472_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P31644_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P34903_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P47869_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P47870_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P48169_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_P78334_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_Q16445_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPJDKKSDGLIQQB_on_Q99928_WT,Low,ChEMBL30,CHEMBL75212,COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,WPJDKKSDGLIQQB,WPJDKKSDGLIQQB-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O4/c1-25-16-6-3-11(7-17(16)26-2)9-22-19(24)18(23)14-10-21-15-5-4-12(20)8-13(14)15/h3-8,10,21H,9H2,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,6,25,20,19,26,7,23,9,16,8,21,24,15,18,3,4,13,11,22,17,10,14,12,2,5/rA:26COCCOCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;s21;s15s18d23;s8;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-WPLQVOUZACIKEY_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,51003374;CHEMBL1909435,O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccn1,WPLQVOUZACIKEY,WPLQVOUZACIKEY-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2S/c18-12-10-11(20-16(22)14-4-1-2-8-19-14)6-7-13(12)21-17(23)15-5-3-9-24-15/h1-10H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:21,22,13,20,12,5,6,23,14,18,4,16,7,19,11,2,9,17,24,3,8,1,10,15/rA:24OCNCCCCNCOCCCCSCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;s4d16;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  5.983;  5.980,5.982,0.001,0.001,2.0,5.982,0.001
-WPNVDRZHYVBTOF_on_Q13255_WT,High,ChEMBL30,CHEMBL2418385,N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cncc1,WPNVDRZHYVBTOF,WPNVDRZHYVBTOF-UHFFFAOYSA-N,"InChI=1S/C23H28N4O/c24-9-18-1-2-25-10-21(18)26-11-19-13-27(14-20(19)12-26)22(28)23-6-15-3-16(7-23)5-17(4-15)8-23/h1-2,10,15-17,19-20H,3-8,11-14H2","""AuxInfo=1/0/N:28,27,15,17,19,21,13,20,2,25,6,24,8,22,16,14,18,3,7,23,4,10,12,1,26,5,9,11/E:(3,4,5)(6,7,8)(11,12)(13,14)(15,16,17)(19,20)/rA:28NCCCNCCCNCOCCCCCCCCCCCCCCNCC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s12s18;s12s16;s9;s7s22;s5s23;s4;d25;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2421151,PMID:23932792,2013.0,PMID:23932792,2013,1,0,0,0,0,,=,  6.080;  6.080,6.08,0.0,0.0,2.0,6.08,0.0
-WPXSUSHLOJMPKL_on_P41594_WT,Low,ChEMBL30,CHEMBL380881,Cc1nc(C#Cc2cnccc2)c(-c2ccccc2)s1,WPXSUSHLOJMPKL,WPXSUSHLOJMPKL-UHFFFAOYSA-N,"InChI=1S/C17H12N2S/c1-13-19-16(10-9-14-6-5-11-18-12-14)17(20-13)15-7-3-2-4-8-15/h2-8,11-12H,1H3","""AuxInfo=1/0/N:1,17,16,18,11,12,15,19,6,5,10,8,2,7,14,4,13,9,3,20/E:(3,4)(7,8)/rA:20CCNCCCCCNCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;d14;s15;d16;s17;s14d18;s2s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WPYMKLBDIGXBTP_on_P41594_WT,Low,ChEMBL30,CHEMBL541,O=C(O)c1ccccc1,WPYMKLBDIGXBTP,WPYMKLBDIGXBTP-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)","""AuxInfo=1/1/N:7,6,8,5,9,4,2,1,3/E:(2,3)(4,5)(8,9)/rA:9OCOCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;/rC:;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WPYXCCUZWTVDCS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3980589,CC1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21,WPYXCCUZWTVDCS,WPYXCCUZWTVDCS-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-12-24(21(26)16-7-9-17(22)10-8-16)13-19-11-18(23-25(15)19)14-27-20-5-3-2-4-6-20/h2-11,15H,12-14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,8,13,9,12,16,3,14,18,2,7,10,17,15,20,5,11,26,4,27,6,19/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCNCOCCCCFCCCCCCCOCCCCCCNN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s10;s7d12;s4;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s2s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.760;  6.150;  6.790,6.567,0.295,0.209,3.0,6.76,0.03
-WPZQETQSLKKRKF_on_P41594_WT,High,ChEMBL30,CHEMBL1672443,CCn1c(-c2cnc(Nc3cnc(C)cc3)c(Cl)c2)nc2c1cccc2,WPZQETQSLKKRKF,WPZQETQSLKKRKF-UHFFFAOYSA-N,"InChI=1S/C20H18ClN5/c1-3-26-18-7-5-4-6-17(18)25-20(26)14-10-16(21)19(23-11-14)24-15-9-8-13(2)22-12-15/h4-12H,3H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,14,2,25,24,26,23,15,16,19,6,11,13,5,10,17,21,22,8,4,18,12,7,9,20,3/rA:26CCNCCCNCNCCNCCCCCClCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s8;s17;s5d17;d4;s20;s3d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1680466,PMID:24900255,2011.0,PMID:24900255,2011,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-WQAMIFCCIVJVGY_on_P31644_WT,High,ChEMBL30,CHEMBL3639754,COC(=O)c1ccc(OCc2c(C)onc2-c2cccc(F)c2)nc1,WQAMIFCCIVJVGY,WQAMIFCCIVJVGY-UHFFFAOYSA-N,"InChI=1S/C18H15FN2O4/c1-11-15(17(21-25-11)12-4-3-5-14(19)8-12)10-24-16-7-6-13(9-20-16)18(22)23-2/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:13,1,19,18,20,6,7,23,25,10,12,17,5,21,11,8,16,3,22,24,15,4,2,9,14/rA:25COCOCCCCOCCCCONCCCCCCFCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s21;s17d21;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.760,7.76,0.0,0.0,1.0,7.76,0.0
-WQCOYHWSQLUYIH_on_P18507_WT,Low,ChEMBL30,CHEMBL211286,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F,WQCOYHWSQLUYIH,WQCOYHWSQLUYIH-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(13-6-4-8-15(23)19(13)24)16-9-26-28-20(31(16)29-21)12-5-2-3-7-14(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,26,17,28,22,7,4,13,25,18,29,23,6,24,31,12,9,19,30,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-WQCOYHWSQLUYIH_on_P28472_WT,Low,ChEMBL30,CHEMBL211286,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F,WQCOYHWSQLUYIH,WQCOYHWSQLUYIH-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(13-6-4-8-15(23)19(13)24)16-9-26-28-20(31(16)29-21)12-5-2-3-7-14(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,26,17,28,22,7,4,13,25,18,29,23,6,24,31,12,9,19,30,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-WQCOYHWSQLUYIH_on_P34903_WT,Low,ChEMBL30,CHEMBL211286,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F,WQCOYHWSQLUYIH,WQCOYHWSQLUYIH-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(13-6-4-8-15(23)19(13)24)16-9-26-28-20(31(16)29-21)12-5-2-3-7-14(12)22/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,27,14,26,17,28,22,7,4,13,25,18,29,23,6,24,31,12,9,19,30,32,5,21,3,20,10,2,11,8/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCCCFCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s25d29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-WQECDONKHCCUIZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3982968,CN(C)C1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,WQECDONKHCCUIZ,WQECDONKHCCUIZ-UHFFFAOYSA-N,"InChI=1S/C23H25FN4O/c1-27(2)18-9-10-28(14-18)13-15-3-8-19-20(16-4-6-17(24)7-5-16)12-22(23(25)29)26-21(19)11-15/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:1,3,10,15,20,16,19,11,5,6,28,21,8,29,9,14,17,4,12,13,27,22,23,18,24,26,2,7,25/E:(1,2)(4,5)(6,7)/rA:29CNCCCCNCCCCCCCCCCFCCCCCNONCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-WQIJWPZIOIFLHO_on_Q13224_WT,High,ChEMBL30,CHEMBL3927856,FC(F)Oc1cc(-c2cn(Cc3c[nH]nc3)nc2)ccc1Cl,WQIJWPZIOIFLHO,WQIJWPZIOIFLHO-UHFFFAOYSA-N,"InChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)","""AuxInfo=1/1/N:19,20,6,13,16,18,11,9,12,7,8,21,5,2,22,1,3,14,15,17,10,4/E:(4,5)(16,17)(18,19)/rA:22FCFOCCCCCNCCCNNCNCCCCCl/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;s10;s11;d12;s13;s14;s12d15;s10;s8d17;d7;s19;s5d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-WQIWYEISPHMPOA_on_O00591_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_O14764_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P14867_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P18505_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P18507_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P28472_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P31644_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P34903_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P47869_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P47870_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P48169_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_P78334_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_Q16445_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQIWYEISPHMPOA_on_Q99928_WT,Low,ChEMBL30,CHEMBL66487,CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1,WQIWYEISPHMPOA,WQIWYEISPHMPOA-UHFFFAOYSA-N,"InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,10,18,8,11,9,12,17,6,4,7,5,3/rA:18CCOCOCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s9s12;s6d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-WQNYAWXQCFECMX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3913090,CC(=O)NC1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,WQNYAWXQCFECMX,WQNYAWXQCFECMX-UHFFFAOYSA-N,"InChI=1S/C23H23FN4O2/c1-14(29)26-18-8-9-28(13-18)12-15-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)30)27-21(19)10-15/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,25,30)(H,26,29)","""AuxInfo=1/1/N:1,11,16,21,17,20,12,6,7,29,22,9,30,2,10,15,18,5,13,14,28,23,24,19,25,4,27,8,3,26/E:(3,4)(5,6)/rA:30CCONCCCNCCCCCCCCCCFCCCCCNONCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s5s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-WQROOHPBJORXDQ_on_P41594_WT,High,ChEMBL30,CHEMBL1779878,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccnc1)cc2,WQROOHPBJORXDQ,WQROOHPBJORXDQ-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c24-20-18-10-9-16(8-7-15-4-3-12-21-14-15)22-19(18)11-13-23(20)17-5-1-2-6-17/h3-4,9-10,12,14,17H,1-2,5-6,11,13H2","""AuxInfo=1/0/N:10,11,19,18,9,12,16,15,23,24,5,20,6,22,17,14,8,3,4,2,21,13,7,1/E:(1,2)(5,6)/rA:24OCCCCCNCCCCCNCCCCCCCNCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496,PMID:21531137,2011.0,PMID:21531137,2011,0,1,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-WQSLMUFBNLLTHV_on_Q14833_WT,High,ChEMBL30,CHEMBL3799708,CC(C)CC1CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1,WQSLMUFBNLLTHV,WQSLMUFBNLLTHV-UHFFFAOYSA-N,"InChI=1S/C20H23ClN4O2/c1-12(2)8-13-9-18(26)25(11-13)17-6-5-14(10-15(17)21)24-20(27)19-16(22)4-3-7-23-19/h3-7,10,12-13H,8-9,11,22H2,1-2H3,(H,24,27)","""AuxInfo=1/1/N:1,3,22,21,25,26,23,4,6,13,27,2,5,14,11,19,10,7,18,16,12,20,24,15,9,8,17/E:(1,2)/rA:27CCCCCCCONCCClCCNCOCCNCCCNCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;s11;d13;s14;s15;d16;s16;d18;s19;s19;d21;s22;s18d23;s14;s10d25;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  5.790;  8.790,7.29,1.5,1.5,2.0,7.29,1.5
-WQSWSCFDPJRFHF_on_Q14416_WT,High,ChEMBL30,CHEMBL185529,CC(=O)c1c(O)c(Br)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1,WQSWSCFDPJRFHF,WQSWSCFDPJRFHF-UHFFFAOYSA-N,"InChI=1S/C19H19BrN4O4/c1-12(25)15-8-9-16(17(20)18(15)26)28-11-3-2-10-27-14-6-4-13(5-7-14)19-21-23-24-22-19/h4-9,26H,2-3,10-11H2,1H3,(H,21,22,23,24)","""AuxInfo=1/1/N:1,13,12,18,25,17,26,28,27,14,11,2,19,16,4,9,7,5,20,8,21,24,22,23,3,6,15,10/E:(4,5)(6,7)(21,22)(23,24)/rA:28CCOCCOCBrCOCCCCOCCCCCNNNNCCCC/rB:s1;d2;s2;d4;s5;s5;s7;d7;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s20d23;s19;s16d25;s9;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294,PMID:15454221,2004.0,PMID:15454221,2004,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-WQWZJYQRQKROKC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909377,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccnc(C#N)c2)c3)cn1,WQWZJYQRQKROKC,WQWZJYQRQKROKC-UHFFFAOYSA-N,"InChI=1S/C21H16N6O/c1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22/h2-5,7-9,11-12H,6H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,15,14,19,20,17,25,26,6,23,27,3,16,18,4,22,13,5,12,7,8,24,9,21,28,11,2,10/rA:28CNCCCCCCNONCCCCCCCCCNCCNCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;t23;s18d22;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-WQXKFTUKMNPBFW_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152117;46215878,Cn1ccc2c1c(Cl)cc(-c1c(C#N)c3ncc(CC(F)(F)F)n3cc1)c2,WQXKFTUKMNPBFW,WQXKFTUKMNPBFW-UHFFFAOYSA-N,"InChI=1S/C19H12ClF3N4/c1-26-4-2-11-6-12(7-16(20)17(11)26)14-3-5-27-13(8-19(21,22)23)10-25-18(27)15(14)9-24/h2-7,10H,8H2,1H3","""AuxInfo=1/0/N:1,4,26,3,25,27,9,19,13,17,5,10,18,11,12,7,6,15,20,8,21,22,23,14,16,2,24/E:(21,22,23)/rA:27CNCCCCCClCCCCCNCNCCCCFFFNCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;d7;s9;s10;d11;s12;t13;s12;d15;s16;d17;s18;s19;s20;s20;s20;s15s18;s24;s11d25;s5d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  6.920;  6.921,6.921,0.0,0.0,2.0,6.921,0.001
-WQXQQWPMVZCNML_on_P14867_WT,Low,ChEMBL30,CHEMBL1093252,On1cc(C2CCNCC2)c(Cc2ccccc2)n1,WQXQQWPMVZCNML,WQXQQWPMVZCNML-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c19-18-11-14(13-6-8-16-9-7-13)15(17-18)10-12-4-2-1-3-5-12/h1-5,11,13,16,19H,6-10H2","""AuxInfo=1/0/N:16,15,17,14,18,6,10,7,9,12,3,13,5,4,11,8,19,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:19ONCCCCCNCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;s13d17;s2d11;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.080;  5.080,5.08,0.0,0.0,2.0,5.08,0.0
-WQXQQWPMVZCNML_on_P18507_WT,Low,ChEMBL30,CHEMBL1093252,On1cc(C2CCNCC2)c(Cc2ccccc2)n1,WQXQQWPMVZCNML,WQXQQWPMVZCNML-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c19-18-11-14(13-6-8-16-9-7-13)15(17-18)10-12-4-2-1-3-5-12/h1-5,11,13,16,19H,6-10H2","""AuxInfo=1/0/N:16,15,17,14,18,6,10,7,9,12,3,13,5,4,11,8,19,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:19ONCCCCCNCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;s13d17;s2d11;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.080;  5.080,5.08,0.0,0.0,2.0,5.08,0.0
-WQXQQWPMVZCNML_on_P47870_WT,Low,ChEMBL30,CHEMBL1093252,On1cc(C2CCNCC2)c(Cc2ccccc2)n1,WQXQQWPMVZCNML,WQXQQWPMVZCNML-UHFFFAOYSA-N,"InChI=1S/C15H19N3O/c19-18-11-14(13-6-8-16-9-7-13)15(17-18)10-12-4-2-1-3-5-12/h1-5,11,13,16,19H,6-10H2","""AuxInfo=1/0/N:16,15,17,14,18,6,10,7,9,12,3,13,5,4,11,8,19,2,1/E:(2,3)(4,5)(6,7)(8,9)/rA:19ONCCCCCNCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;s12;d13;s14;d15;s16;s13d17;s2d11;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  5.080;  5.080,5.08,0.0,0.0,2.0,5.08,0.0
-WQXSBOMBIFWLFW_on_Q14833_WT,High,ExCAPE-DB,308065,O=C(Nc1cc(Cl)c(Cl)cc1)c1ccco1,WQXSBOMBIFWLFW,WQXSBOMBIFWLFW-UHFFFAOYSA-N,"InChI=1S/C11H7Cl2NO2/c12-8-4-3-7(6-9(8)13)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)","""AuxInfo=1/1/N:14,13,11,10,15,5,4,8,6,12,2,9,7,3,1,16/rA:16OCNCCCClCClCCCCCCO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s8;s4d10;s2;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197,PMID:19469556,2009.0,PubChemAID:2197,2009,0,0,0,0,1,,=,  5.343,5.343,0.0,0.0,1.0,5.343,0.0
-WQYFFQZUIWFUCN_on_P14867_WT,Low,ChEMBL30,CHEMBL3616636,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(N)c2)c1,WQYFFQZUIWFUCN,WQYFFQZUIWFUCN-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619100;CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.210;  4.800,4.505,0.295,0.295,2.0,4.505,0.295
-WQYFFQZUIWFUCN_on_P18507_WT,Low,ChEMBL30,CHEMBL3616636,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(N)c2)c1,WQYFFQZUIWFUCN,WQYFFQZUIWFUCN-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.800;  4.210,4.505,0.295,0.295,2.0,4.505,0.295
-WQYFFQZUIWFUCN_on_P47870_WT,Low,ChEMBL30,CHEMBL3616636,CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(N)c2)c1,WQYFFQZUIWFUCN,WQYFFQZUIWFUCN-UHFFFAOYSA-N,"InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3","""AuxInfo=1/0/N:1,16,9,2,15,3,14,5,6,22,12,21,4,13,11,10,19,7,17,20,18,8/rA:22CCCCCCCOCCCCCCCCCOCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s7;s10;d11;s12;s13;s14;s15;d13;s17;s17;s19;s11d19;s4d10;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619098;CHEMBL3619100,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.800;  4.210,4.505,0.295,0.295,2.0,4.505,0.295
-WQYYZNGOTUCWQX_on_P14867_WT,Low,ChEMBL30,CHEMBL381059,CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,WQYYZNGOTUCWQX,WQYYZNGOTUCWQX-UHFFFAOYSA-N,"InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,12,11,14,21,23,15,13,9,6,10,7,4,22,8,5,3/E:(4,5)(6,7)/rA:23CCOCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861815;CHEMBL992851,PMID:16610795,2006.0,PMID:16610795;PMID:18541432,2006;2008,0,0,0,1,0,,=,  9.570;  9.570,9.57,0.0,0.0,2.0,9.57,0.0
-WQYYZNGOTUCWQX_on_P18505_WT,Low,ChEMBL30,CHEMBL381059,CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,WQYYZNGOTUCWQX,WQYYZNGOTUCWQX-UHFFFAOYSA-N,"InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,12,11,14,21,23,15,13,9,6,10,7,4,22,8,5,3/E:(4,5)(6,7)/rA:23CCOCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  9.570,9.57,0.0,0.0,1.0,9.57,0.0
-WQYYZNGOTUCWQX_on_P18507_WT,Low,ChEMBL30,CHEMBL381059,CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,WQYYZNGOTUCWQX,WQYYZNGOTUCWQX-UHFFFAOYSA-N,"InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,12,11,14,21,23,15,13,9,6,10,7,4,22,8,5,3/E:(4,5)(6,7)/rA:23CCOCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851;CHEMBL861816;CHEMBL861815,PMID:16610795,2006.0,PMID:18541432;PMID:16610795;PMID:16610795,2008;2006;2006,0,0,0,1,0,,=,  9.570;  8.140;  9.570,9.093,0.674,0.47700000000000004,3.0,9.57,0.0
-WQYYZNGOTUCWQX_on_P34903_WT,Low,ChEMBL30,CHEMBL381059,CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,WQYYZNGOTUCWQX,WQYYZNGOTUCWQX-UHFFFAOYSA-N,"InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,12,11,14,21,23,15,13,9,6,10,7,4,22,8,5,3/E:(4,5)(6,7)/rA:23CCOCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  8.140,8.14,0.0,0.0,1.0,8.14,0.0
-WQYYZNGOTUCWQX_on_P47870_WT,Low,ChEMBL30,CHEMBL381059,CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1,WQYYZNGOTUCWQX,WQYYZNGOTUCWQX-UHFFFAOYSA-N,"InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,12,11,14,21,23,15,13,9,6,10,7,4,22,8,5,3/E:(4,5)(6,7)/rA:23CCOCOCCOCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s7;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9d13;s10;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851;CHEMBL861816,PMID:16610795,2006.0,PMID:18541432;PMID:16610795,2008;2006,0,0,0,1,0,,=,  9.570;  8.140,8.855,0.715,0.715,2.0,8.855,0.715
-WRDHNUVAWMYMJK_on_O00591_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_O14764_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.120;  8.220,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P14867_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P18505_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P18507_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P28472_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P31644_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P34903_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P47869_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P47870_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.120;  8.220,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P48169_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_P78334_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_Q16445_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951;CHEMBL681949,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  7.120;  8.220,7.67,0.55,0.55,2.0,7.67,0.55
-WRDHNUVAWMYMJK_on_Q99928_WT,Low,ChEMBL30,CHEMBL1195310,N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1,WRDHNUVAWMYMJK,WRDHNUVAWMYMJK-UHFFFAOYSA-N,"InChI=1S/C15H12N4O4/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10/h1-6,16H,7-8H2,(H,18,20)","""AuxInfo=1/1/N:11,4,10,3,7,19,17,13,6,18,5,9,8,2,20,1,15,22,16,21,12,14,23/rA:23NCCCCCCCCCCOCONNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s9;s12;s8s13;d5;s2s15;s16;s17;d18;s19;s20;d20;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681949;CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  8.220;  7.120,7.67,0.55,0.55,2.0,7.67,0.55
-WRDSHVOSCHDAKP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953060,NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1,WRDSHVOSCHDAKP,WRDSHVOSCHDAKP-UHFFFAOYSA-N,"InChI=1S/C21H15F2N3O3/c22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)","""AuxInfo=1/1/N:8,13,9,12,23,24,17,27,5,19,18,7,10,6,15,28,4,21,25,14,2,11,16,1,29,20,22,26,3/E:(1,2)(3,4)(5,6)(18,19)(27,28)/rA:29NCOCCCCCCCFCCCCFCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;s15;d15;s17;s18;s19;s20;d21;s21;s23;s20s24;d25;d18;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-WRFRNSSJAODSHW_on_P41594_WT,High,ChEMBL30,CHEMBL2426619,COCCN1CCc2c(sc(COc3ccccc3)n2)C1=O,WRFRNSSJAODSHW,WRFRNSSJAODSHW-UHFFFAOYSA-N,"InChI=1S/C16H18N2O3S/c1-20-10-9-18-8-7-13-15(16(18)19)22-14(17-13)11-21-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,7,6,4,3,12,14,8,11,9,21,20,5,22,2,13,10/E:(3,4)(5,6)/rA:22COCCNCCCCSCCOCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s8d11;s5s9;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  5.640;  5.640,5.64,0.0,0.0,2.0,5.64,0.0
-WRGWVZSYGZNHDX_on_P41594_WT,High,ChEMBL30,CHEMBL197212,C(#Cc1ncccc1)C1=CC(Nc2cnccc2)CCC1,WRGWVZSYGZNHDX,WRGWVZSYGZNHDX-UHFFFAOYSA-N,"InChI=1S/C18H17N3/c1-2-12-20-16(6-1)10-9-15-5-3-7-17(13-15)21-18-8-4-11-19-14-18/h1-2,4,6,8,11-14,17,21H,3,5,7H2","""AuxInfo=1/0/N:7,6,20,17,21,8,19,18,1,2,16,5,10,14,9,3,11,13,15,4,12/rA:21CCCNCCCCCCCNCCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-WRQVCJKYDGXPHS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922719,COc1ncccc1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1F,WRQVCJKYDGXPHS,WRQVCJKYDGXPHS-UHFFFAOYSA-N,"InChI=1S/C21H18FN5O2/c1-27-11-14(10-25-27)16-9-17(20(23)28)26-19-15(16)6-5-12(18(19)22)8-13-4-3-7-24-21(13)29-2/h3-7,9-11H,8H2,1-2H3,(H2,23,28)","""AuxInfo=1/1/N:18,1,6,7,11,12,5,9,21,20,16,10,8,15,13,14,22,28,27,23,3,29,24,4,19,26,17,25,2/rA:29COCNCCCCCCCCCCCCNCNCCCCNONCCF/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s17;s15d19;d14;s21;s22;s23;d23;d22;s13s26;s10d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-WRRMPYACQDSPSL_on_P41594_WT,High,ChEMBL30,CHEMBL377935,Cc1nc(NC(=O)c2cccc(-c3ccccc3)c2)ccc1,WRRMPYACQDSPSL,WRRMPYACQDSPSL-UHFFFAOYSA-N,"InChI=1S/C19H16N2O/c1-14-7-5-12-18(20-14)21-19(22)17-11-6-10-16(13-17)15-8-3-2-4-9-15/h2-13H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,16,15,17,21,10,22,14,18,11,9,20,19,2,13,12,8,4,6,3,5,7/E:(3,4)(8,9)/rA:22CCNCNCOCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;d4;s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-WRUTXEAYYQYJHO_on_O00591_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_O14764_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P14867_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P18505_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P18507_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P28472_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P31644_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P34903_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P47869_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P47870_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P48169_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_P78334_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_Q16445_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRUTXEAYYQYJHO_on_Q99928_WT,Low,ChEMBL30,CHEMBL356272,COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1,WRUTXEAYYQYJHO,WRUTXEAYYQYJHO-UHFFFAOYSA-N,"InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,18,17,22,21,23,19,16,4,6,13,5,3,20,12,15,10,8,14,7,11,9,2/rA:23COCCCCNCOCOCCNCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s10;d12;s13;s14;d15;s16;d17;s18;s12s15d19;d5;s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-WRXDVVALWQGPMW_on_P14867_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.310;  9.310,9.31,0.0,0.0,2.0,9.31,0.0
-WRXDVVALWQGPMW_on_P18507_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL823761;CHEMBL685337;CHEMBL822162;CHEMBL824294;CHEMBL681480;CHEMBL683045;CHEMBL678329;CHEMBL681248;CHEMBL683046;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;1998;2000,0,0,0,1,0,,=,  8.660;  8.620;  9.310;  8.920;  8.620;  5.870;  9.310;  8.920;  5.870;  8.660,8.276,1.228,0.409,10.0,8.66,0.26
-WRXDVVALWQGPMW_on_P28472_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL824294;CHEMBL822162;CHEMBL823761;CHEMBL685337;CHEMBL683045;CHEMBL681480;CHEMBL678329;CHEMBL681248;CHEMBL683046;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:9651158;PMID:9651158;PMID:9651158;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9651158;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;1998;2000,0,0,0,1,0,,=,  8.920;  9.310;  8.660;  8.620;  5.870;  8.620;  9.310;  8.920;  5.870;  8.660,8.276,1.228,0.409,10.0,8.66,0.26
-WRXDVVALWQGPMW_on_P31644_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685337;CHEMBL681480,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.620;  8.620,8.62,0.0,0.0,2.0,8.62,0.0
-WRXDVVALWQGPMW_on_P34903_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823761;CHEMBL682251,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.660;  8.660,8.66,0.0,0.0,2.0,8.66,0.0
-WRXDVVALWQGPMW_on_P47869_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824294;CHEMBL681248,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-WRXDVVALWQGPMW_on_Q16445_WT,Low,ChEMBL30,CHEMBL49141,CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1,WRXDVVALWQGPMW,WRXDVVALWQGPMW-UHFFFAOYSA-N,"InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3","""AuxInfo=1/0/N:1,21,15,2,20,6,7,3,25,23,13,5,24,12,8,10,11,16,17,22,9,18,14,19,4/rA:25CCCOCCCCNCCCCOCCCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d10;s11;s12;s13;s14;d12;s16;d17;s17;s19;s20;s16;s10d22;s8s11;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683046;CHEMBL683045,PMID:9651158,1998.0,PMID:9651158;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.870;  5.870,5.87,0.0,0.0,2.0,5.87,0.0
-WRYNCMUTWXJCLJ_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836635;CHEMBL1830905,COc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,WRYNCMUTWXJCLJ,WRYNCMUTWXJCLJ-UHFFFAOYSA-N,"InChI=1S/C15H15N5OS/c1-21-13-7-3-6-12(17-13)18-15-19-14-9-8-16-20-10(9)4-2-5-11(14)22-15/h3,6-8H,2,4-5H2,1H3,(H,16,20)(H,17,18,19)","""AuxInfo=1/1/N:1,12,21,13,11,20,22,16,15,14,10,5,3,9,7,17,4,6,8,18,2,19/rA:22COCNCNCNCCCCCCCCNNSCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.187;  6.190,6.189,0.002,0.002,2.0,6.189,0.002
-WRZBXBIKXIYAGJ_on_P14867_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-WRZBXBIKXIYAGJ_on_P18507_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.030;  7.160;  6.510;  6.960,7.165,0.552,0.319,4.0,7.06,0.325
-WRZBXBIKXIYAGJ_on_P28472_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL829006;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960;  6.510;  8.030;  7.160,7.165,0.552,0.319,4.0,7.06,0.325
-WRZBXBIKXIYAGJ_on_P31644_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-WRZBXBIKXIYAGJ_on_P34903_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-WRZBXBIKXIYAGJ_on_P47869_WT,Low,ChEMBL30,CHEMBL179769,N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WRZBXBIKXIYAGJ,WRZBXBIKXIYAGJ-UHFFFAOYSA-N,"InChI=1S/C25H21N5O/c26-14-16-6-8-17(9-7-16)15-31-25-22-19-12-10-18(11-13-19)21(22)24-28-27-23(30(24)29-25)20-4-2-1-3-5-20/h1-9,18-19H,10-13,15H2","""AuxInfo=1/0/N:16,15,17,14,18,4,31,5,30,26,28,25,29,2,7,3,6,27,24,13,22,23,12,21,9,1,19,20,10,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31NCCCCCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s22s26;s27;s24s28;s6;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-WSATUJJSARHJKO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3976206,CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C(=O)C1,WSATUJJSARHJKO,WSATUJJSARHJKO-UHFFFAOYSA-N,"InChI=1S/C24H20FN3O2/c1-24(2)11-22(29)28(23(30)12-24)14-15-3-8-19-20(16-4-6-17(25)7-5-16)10-18(13-26)27-21(19)9-15/h3-10H,11-12,14H2,1-2H3","""AuxInfo=1/0/N:1,3,10,15,20,16,19,11,27,21,4,30,23,8,9,14,17,22,12,13,26,5,28,2,18,24,25,7,6,29/E:(1,2)(4,5)(6,7)(11,12)(22,23)(29,30)/rA:30CCCCCONCCCCCCCCCCFCCCCCNNCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;t23;d22;s12s25;s9d26;s7;d28;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-WSCLENBLVSFSQG_on_Q14833_WT,High,ChEMBL30,CHEMBL2023457,COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,WSCLENBLVSFSQG,WSCLENBLVSFSQG-UHFFFAOYSA-N,"InChI=1S/C19H15N3O/c1-23-16-7-8-18-17(9-10-20-19(18)11-16)14-12-21-22(13-14)15-5-3-2-4-6-15/h2-13H,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,4,5,19,20,23,18,9,8,11,3,7,6,22,21,17,10,2/E:(3,4)(5,6)/rA:23COCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;s10;s8d17;d7;s19;d20;s6s21;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-WSHMFNMANDYQMJ_on_P41594_WT,High,ChEMBL30,CHEMBL2151466,O=C(c1cccc(F)c1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1,WSHMFNMANDYQMJ,WSHMFNMANDYQMJ-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-14-5-1-3-11(7-14)16-21-17(25-22-16)13-9-23(10-13)18(24)12-4-2-6-15(20)8-12/h1-8,13H,9-10H2","""AuxInfo=1/0/N:21,5,22,4,20,6,17,9,11,25,16,3,12,18,7,15,13,2,19,8,14,23,10,1,24/E:(9,10)/rA:25OCCCCCCFCNCCCNCCCCClCCCNOC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-WSISIXWASQRSDO_on_P14867_WT,Low,ChEMBL30,CHEMBL3144753;CHEMBL4060185,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL4219578,PMID:10633039,2000.0,PMID:10633039;PMID:28606760,2000;2017,0,0,0,1,0,,=,  9.700;  9.700,9.7,0.0,0.0,2.0,9.7,0.0
-WSISIXWASQRSDO_on_P18507_WT,Low,ChEMBL30,CHEMBL4060185;CHEMBL4060185;CHEMBL3144753;CHEMBL3144753;CHEMBL3144753;CHEMBL4060185;CHEMBL4060185;CHEMBL3144753,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4219585;CHEMBL4219584;CHEMBL678329;CHEMBL683045;CHEMBL682251;CHEMBL4219582;CHEMBL4219578;CHEMBL681480,PMID:10633039,2000.0,PMID:28606760;PMID:28606760;PMID:10633039;PMID:10633039;PMID:10633039;PMID:28606760;PMID:28606760;PMID:10633039,2017;2017;2000;2000;2000;2017;2017;2000,0,0,0,1,0,,=,  8.720;  9.520;  9.700;  8.720;  9.700;  9.700;  9.700;  9.490,9.406,0.40399999999999997,0.153,8.0,9.61,0.09
-WSISIXWASQRSDO_on_P28472_WT,Low,ChEMBL30,CHEMBL4060185;CHEMBL4060185;CHEMBL4060185;CHEMBL3144753;CHEMBL4060185;CHEMBL3144753;CHEMBL3144753;CHEMBL3144753,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4219582;CHEMBL4219578;CHEMBL4219584;CHEMBL678329;CHEMBL4219585;CHEMBL682251;CHEMBL681480;CHEMBL683045,PMID:10633039,2000.0,PMID:28606760;PMID:28606760;PMID:28606760;PMID:10633039;PMID:28606760;PMID:10633039;PMID:10633039;PMID:10633039,2017;2017;2017;2000;2017;2000;2000;2000,0,0,0,1,0,,=,  9.700;  9.700;  9.520;  9.700;  8.720;  9.700;  9.490;  8.720,9.406,0.40399999999999997,0.153,8.0,9.61,0.09
-WSISIXWASQRSDO_on_P31644_WT,Low,ChEMBL30,CHEMBL3144753;CHEMBL4060185,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL4219584,PMID:10633039,2000.0,PMID:10633039;PMID:28606760,2000;2017,0,0,0,1,0,,=,  9.490;  9.520,9.505,0.015,0.015,2.0,9.505,0.015
-WSISIXWASQRSDO_on_P34903_WT,Low,ChEMBL30,CHEMBL3144753;CHEMBL4060185,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL4219582,PMID:10633039,2000.0,PMID:10633039;PMID:28606760,2000;2017,0,0,0,1,0,,=,  9.700;  9.700,9.7,0.0,0.0,2.0,9.7,0.0
-WSISIXWASQRSDO_on_P47869_WT,Low,ChEMBL30,CHEMBL4060185,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4219581,PMID:28606760,2017.0,PMID:28606760,2017,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WSISIXWASQRSDO_on_P48169_WT,Low,ChEMBL30,CHEMBL4060185,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4219583,PMID:28606760,2017.0,PMID:28606760,2017,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WSISIXWASQRSDO_on_Q16445_WT,Low,ChEMBL30,CHEMBL4060185;CHEMBL3144753,COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1,WSISIXWASQRSDO,WSISIXWASQRSDO-UHFFFAOYSA-N,"InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,22H,1H3","""AuxInfo=1/0/N:1,20,5,22,4,23,21,17,13,18,6,3,16,10,15,9,11,19,14,8,7,12,2/E:(3,4)(5,6)/rA:23COCCCCNNCCCOCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s18;s15d20;s6;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL4219585;CHEMBL683045,PMID:10633039,2000.0,PMID:28606760;PMID:10633039,2017;2000,0,0,0,1,0,,=,  8.720;  8.720,8.72,0.0,0.0,2.0,8.72,0.0
-WSLXBZIFAXISNU_on_P14867_WT,Low,ChEMBL30,CHEMBL4284872,COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1,WSLXBZIFAXISNU,WSLXBZIFAXISNU-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O6S/c1-24-14-5-2-10(18)6-16(14)25-11-8-20(9-11)27(22,23)12-3-4-13-15(7-12)26-17(21)19-13/h2-7,11H,8-9H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,5,18,19,4,8,26,12,27,6,11,17,20,3,25,9,22,7,21,13,23,15,16,2,10,24,14/E:(8,9)(22,23)/CRV:27.6/rA:27COCCCCClCCOCCNSOOCCCCNCOOCCC/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s9;s10;s11;s12;s13;d14;d14;s14;d17;s18;d19;s20;d21;s22;s22;s20s24;s17d25;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4252020,PMID:28575722,2017.0,PMID:28575722,2017,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WSLXBZIFAXISNU_on_P18507_WT,Low,ChEMBL30,CHEMBL4284872,COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1,WSLXBZIFAXISNU,WSLXBZIFAXISNU-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O6S/c1-24-14-5-2-10(18)6-16(14)25-11-8-20(9-11)27(22,23)12-3-4-13-15(7-12)26-17(21)19-13/h2-7,11H,8-9H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,5,18,19,4,8,26,12,27,6,11,17,20,3,25,9,22,7,21,13,23,15,16,2,10,24,14/E:(8,9)(22,23)/CRV:27.6/rA:27COCCCCClCCOCCNSOOCCCCNCOOCCC/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s9;s10;s11;s12;s13;d14;d14;s14;d17;s18;d19;s20;d21;s22;s22;s20s24;s17d25;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4252020,PMID:28575722,2017.0,PMID:28575722,2017,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WSLXBZIFAXISNU_on_P47870_WT,Low,ChEMBL30,CHEMBL4284872,COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1,WSLXBZIFAXISNU,WSLXBZIFAXISNU-UHFFFAOYSA-N,"InChI=1S/C17H15ClN2O6S/c1-24-14-5-2-10(18)6-16(14)25-11-8-20(9-11)27(22,23)12-3-4-13-15(7-12)26-17(21)19-13/h2-7,11H,8-9H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,5,18,19,4,8,26,12,27,6,11,17,20,3,25,9,22,7,21,13,23,15,16,2,10,24,14/E:(8,9)(22,23)/CRV:27.6/rA:27COCCCCClCCOCCNSOOCCCCNCOOCCC/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s9;s10;s11;s12;s13;d14;d14;s14;d17;s18;d19;s20;d21;s22;s22;s20s24;s17d25;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4252020,PMID:28575722,2017.0,PMID:28575722,2017,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WSMLYHXZMALWCQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907644,Cn1c(=O)n(CC2CC2(F)F)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2,WSMLYHXZMALWCQ,WSMLYHXZMALWCQ-UHFFFAOYSA-N,"InChI=1S/C22H21F2N5O3/c1-27-19-18(29(21(27)31)11-13-9-22(13,23)24)5-4-16(25-19)15-8-14-3-2-12(15)10-28(14)20(30)17-6-7-32-26-17/h4-8,12-14H,2-3,9-11H2,1H3","""AuxInfo=1/0/N:1,20,19,31,32,30,29,17,8,22,6,21,7,18,16,15,26,12,13,24,3,9,10,11,14,27,2,23,5,25,4,28/E:(23,24)/rA:32CNCONCCCCFFCCNCCCCCCCCNCOCNOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7s8;s9;s9;s5;s2d12;s13;d14;s15;w?16;s17;s18;s19;s16s20;s21;s18s22;s23;d24;s24;d26;s27;s28;s26d29;s15;s12d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.540;  7.580,7.56,0.02,0.02,2.0,7.56,0.02
-WSMPBCKNEHARNX_on_P41594_WT,High,ChEMBL30,CHEMBL2403678,Fc1cc(C#Cc2nc3c(CN(C4CCOC4)CC3)s2)ccc1,WSMPBCKNEHARNX,WSMPBCKNEHARNX-UHFFFAOYSA-N,"InChI=1S/C18H17FN2OS/c19-14-3-1-2-13(10-14)4-5-18-20-16-6-8-21(11-17(16)23-18)15-7-9-22-12-15/h1-3,10,15H,6-9,11-12H2","""AuxInfo=1/0/N:22,21,23,5,6,19,14,18,15,3,11,17,4,2,13,9,10,7,1,8,12,16,20/rA:23FCCCCCCNCCCNCCCOCCCSCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s13s16;s12;s9s18;s7s10;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405252,PMID:23770058,2013.0,PMID:23770058,2013,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-WSMVGNORKXMLBO_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684103,CCCCN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O,WSMVGNORKXMLBO,WSMVGNORKXMLBO-UHFFFAOYSA-N,"InChI=1S/C21H21NO/c1-2-3-14-22-15-13-19-16-18(11-12-20(19)21(22)23)10-9-17-7-5-4-6-8-17/h4-8,11-12,16H,2-3,13-15H2,1H3","""AuxInfo=1/0/N:1,2,3,18,17,19,16,20,14,13,11,10,7,4,6,21,15,12,8,9,22,5,23/E:(5,6)(7,8)/rA:23CCCCNCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s8d12;s5s9;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-WSNYCJWIVUTQGA_on_P14867_WT,Low,ChEMBL30,CHEMBL1829020,C=CCc1ccc(OCC)c(-c2ccc(O)c(CC=C)c2)c1,WSNYCJWIVUTQGA,WSNYCJWIVUTQGA-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-4-7-15-9-12-20(22-6-3)18(13-15)16-10-11-19(21)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3","""AuxInfo=1/0/N:1,20,10,2,19,9,3,18,5,13,14,6,22,21,4,12,17,11,15,7,16,8/rA:22CCCCCCCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;d14;s15;s15;s17;s18;d19;s12d17;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.840,4.84,0.0,0.0,1.0,4.84,0.0
-WSNYCJWIVUTQGA_on_P47870_WT,Low,ChEMBL30,CHEMBL1829020,C=CCc1ccc(OCC)c(-c2ccc(O)c(CC=C)c2)c1,WSNYCJWIVUTQGA,WSNYCJWIVUTQGA-UHFFFAOYSA-N,"InChI=1S/C20H22O2/c1-4-7-15-9-12-20(22-6-3)18(13-15)16-10-11-19(21)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3","""AuxInfo=1/0/N:1,20,10,2,19,9,3,18,5,13,14,6,22,21,4,12,17,11,15,7,16,8/rA:22CCCCCCCOCCCCCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;d14;s15;s15;s17;s18;d19;s12d17;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.840,4.84,0.0,0.0,1.0,4.84,0.0
-WSPJVECWCAXWFX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112624,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CF)c3)n2)cc(C)n1,WSPJVECWCAXWFX,WSPJVECWCAXWFX-UHFFFAOYSA-N,"InChI=1S/C23H24F3N3O2/c1-13-8-17(9-14(2)27-13)21-19-6-7-30-15(3)12-29(19)22(28-21)16-4-5-20(31-23(25)26)18(10-16)11-24/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:1,30,11,16,17,7,8,3,28,26,24,12,2,29,10,15,4,23,6,18,5,14,20,25,21,22,31,27,13,9,19/E:(1,2)(8,9)(13,14)(25,26)/rA:31CCCCCCCCOCCCNCCCCCOCFFCCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s24;s15d23;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-WSPZWQIDNSGLHQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3903883,O=C(c1ncccc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1,WSPZWQIDNSGLHQ,WSPZWQIDNSGLHQ-UHFFFAOYSA-N,"InChI=1S/C19H16F2N4O2/c20-13-3-1-4-16(9-13)27-12-14-10-15-11-24(7-8-25(15)23-14)19(26)18-17(21)5-2-6-22-18/h1-6,9-10H,7-8,11-12H2","""AuxInfo=1/0/N:23,6,22,24,7,5,11,12,19,25,27,16,20,15,26,18,8,3,2,21,9,4,14,10,13,1,17/rA:27OCCNCCCCFNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;s20;d20;s22;s18d23;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.530,5.53,0.0,0.0,1.0,5.53,0.0
-WSQGEPYGCDINHA_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2338585;CHEMBL2338585;CHEMBL2338587;CHEMBL2338587;71718937,N#Cc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1,WSQGEPYGCDINHA,WSQGEPYGCDINHA-UHFFFAOYSA-N,"InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:23,22,5,13,4,6,12,14,24,21,26,25,2,3,7,11,15,19,8,17,1,20,10,16,9,18/rA:26NCCCCCCCONCCCCCNCOCNCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s11s15;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343303;CHEMBL2343304;CHEMBL2343304;CHEMBL2343303;PubChemAID:729738,PMID:23357634,2013.0,PMID:23357634;PMID:23357634;PMID:23357634;PMID:23357634;PubChemAID:729738,2013,0;1;1;0;0,0,0,1;0;0;1;0,0;0;0;0;1,,=,  5.810;  6.280;  6.640;  5.890;  6.275,6.178999999999999,0.301,0.15,5.0,6.275,0.365
-WSRUILODYOPYGR_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403655;71713612,O=S(=O)(C1CCCCC1)N1Cc2c(C1)sc(C#Cc1ccccc1)n2,WSRUILODYOPYGR,WSRUILODYOPYGR-UHFFFAOYSA-N,"InChI=1S/C19H20N2O2S2/c22-25(23,16-9-5-2-6-10-16)21-13-17-18(14-21)24-19(20-17)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-10,13-14H2","""AuxInfo=1/0/N:22,7,21,23,6,8,20,24,5,9,18,17,11,14,19,4,12,13,16,25,10,1,3,15,2/E:(3,4)(5,6)(7,8)(9,10)(22,23)/CRV:25.6/rA:25OSOCCCCCCNCCCCSCCCCCCCCCN/rB:d1;d2;s2;s4;s5;s6;s7;s4s8;s2;s10;s11;d12;s10s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  6.820;  6.824,6.822,0.002,0.002,2.0,6.822,0.002
-WSSWOLULTYVMTE_on_P18507_WT,Low,ChEMBL30,CHEMBL566189,CCOC(=O)c1c2Cn3ncnc3-c3c(cccc3)-n2cn1,WSSWOLULTYVMTE,WSSWOLULTYVMTE-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,11,21,14,15,7,6,13,4,12,22,10,20,9,5,3/rA:22CCOCOCCCNNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-WSSWOLULTYVMTE_on_P28472_WT,Low,ChEMBL30,CHEMBL566189,CCOC(=O)c1c2Cn3ncnc3-c3c(cccc3)-n2cn1,WSSWOLULTYVMTE,WSSWOLULTYVMTE-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,11,21,14,15,7,6,13,4,12,22,10,20,9,5,3/rA:22CCOCOCCCNNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-WSSWOLULTYVMTE_on_P31644_WT,Low,ChEMBL30,CHEMBL566189,CCOC(=O)c1c2Cn3ncnc3-c3c(cccc3)-n2cn1,WSSWOLULTYVMTE,WSSWOLULTYVMTE-UHFFFAOYSA-N,"InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,8,11,21,14,15,7,6,13,4,12,22,10,20,9,5,3/rA:22CCOCOCCCNNCNCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s14d18;s7s15;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-WSTGDIKDWSHKTK_on_P31644_WT,High,ChEMBL30,CHEMBL3681626,CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,WSTGDIKDWSHKTK,WSTGDIKDWSHKTK-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O4/c1-21(2,13-26)12-24-20(27)15-5-8-18(23-9-15)28-10-16-11-29-25-19(16)14-3-6-17(22)7-4-14/h3-9,11,26H,10,12-13H2,1-2H3,(H,24,27)","""AuxInfo=1/1/N:1,3,22,27,11,23,26,12,29,15,17,6,4,21,10,16,24,13,20,8,2,25,28,7,19,5,9,14,18/E:(1,2)(3,4)(6,7)/rA:29CCCCOCNCOCCCCOCCCONCCCCCClCCNC/rB:s1;s2;s2;s4;s2;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WSUAOLLSBOXJQL_on_P31644_WT,High,ChEMBL30,CHEMBL3681451,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccncc2)no1,WSUAOLLSBOXJQL,WSUAOLLSBOXJQL-UHFFFAOYSA-N,"InChI=1S/C18H15F3N4O3/c1-11-14(16(25-28-11)12-4-6-22-7-5-12)9-27-15-3-2-13(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,8,7,22,26,23,25,18,4,13,2,21,9,3,6,20,10,14,15,16,17,24,19,12,27,11,5,28/E:(4,5)(6,7)(19,20,21)/rA:28CCCCOCCCCCONCCFFFCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-WSWVJWFZNAZNCE_on_Q14833_WT,High,ChEMBL30,CHEMBL4242079,c1cc2n[nH]c(Nc3cc4n[nH]c(C5CC5)c4cc3)c2nc1,WSWVJWFZNAZNCE,WSWVJWFZNAZNCE-UHFFFAOYSA-N,"InChI=1S/C16H14N6/c1-2-12-15(17-7-1)16(22-19-12)18-10-5-6-11-13(8-10)20-21-14(11)9-3-4-9/h1-2,5-9H,3-4H2,(H,20,21)(H2,18,19,22)","""AuxInfo=1/1/N:1,2,15,16,19,18,22,9,14,8,17,3,10,13,20,6,21,7,4,11,12,5/E:(3,4)/rA:22CCCNNCNCCCNNCCCCCCCCNC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14s15;s10d13;s17;s8d18;s3d6;s20;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-WSXGXLWIKGTNOF_on_Q14416_WT,High,ChEMBL30,CHEMBL3930511,NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,WSXGXLWIKGTNOF,WSXGXLWIKGTNOF-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2N2O5/c16-6-2-1-5(3-7(6)17)4-24-12-11(18)8-9(13(20)21)10(8)15(12,19)14(22)23/h1-3,8-12H,4,18-19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,24,16,17,20,22,3,4,8,2,14,5,11,9,21,23,1,10,6,7,12,13,15/E:(20,21)(22,23)/rA:24NCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;d11;s11;s2s9;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  5.950,5.95,0.0,0.0,1.0,5.95,0.0
-WSXGXLWIKGTNOF_on_Q14832_WT,High,ChEMBL30,CHEMBL3930511,NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1,WSXGXLWIKGTNOF,WSXGXLWIKGTNOF-UHFFFAOYSA-N,"InChI=1S/C15H16Cl2N2O5/c16-6-2-1-5(3-7(6)17)4-24-12-11(18)8-9(13(20)21)10(8)15(12,19)14(22)23/h1-3,8-12H,4,18-19H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:18,19,24,16,17,20,22,3,4,8,2,14,5,11,9,21,23,1,10,6,7,12,13,15/E:(20,21)(22,23)/rA:24NCCCCOOCCNCOOCOCCCCCClCClC/rB:s1;s2;s3;s4;d5;s5;s3s4;s8;s9;s9;d11;s11;s2s9;s14;s15;s16;d17;s18;d19;s20;s20;s22;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-WSZDFPKNUKEBNH_on_P41594_WT,Medium,ChEMBL30,CHEMBL443979,Cc1nc(C#Cc2ccc(-c3cccnc3)c(F)c2)cs1,WSZDFPKNUKEBNH,WSZDFPKNUKEBNH-UHFFFAOYSA-N,"InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3","""AuxInfo=1/0/N:1,13,12,6,8,5,9,14,19,16,20,2,7,11,4,10,17,18,15,3,21/rA:21CCNCCCCCCCCCCCNCCFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s17;s7d17;d4;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-WTABOJQYURJHSB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL189808;9921211,N#Cc1cccc(-n2cnc(-c3ncccc3)n2)c1,WTABOJQYURJHSB,WTABOJQYURJHSB-UHFFFAOYSA-N,"InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)19-10-17-14(18-19)13-6-1-2-7-16-13/h1-8,10H","""AuxInfo=1/0/N:16,15,5,4,6,17,14,19,2,9,3,7,12,11,1,13,10,18,8/rA:19NCCCCCCNCNCCNCCCCNC/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s8d11;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833257;PubChemAID:248415,PMID:15341479,2004.0,PMID:15341479;PubChemAID:248415,2004;2010,1;0,0,0,0,0;1,,=,  6.160;  6.161,6.16,0.0,0.0,2.0,6.16,0.0
-WTHGEBPYBGJVIJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108700,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1,WTHGEBPYBGJVIJ,WTHGEBPYBGJVIJ-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O/c1-13-8-16(4-5-19(13)23(25,26)27)22-29-21(17-9-14(2)28-15(3)10-17)20-6-7-31-18(11-24)12-30(20)22/h4-5,8-10,18H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:25,1,30,17,18,7,8,26,3,28,11,13,24,2,29,16,4,10,19,6,5,15,20,12,21,22,23,31,27,14,9/E:(2,3)(9,10)(14,15)(25,26,27)/rA:31CCCCCCCCOCCFCNCCCCCCFFFCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-WTLBLIGPXACYET_on_O00222_WT,Low,ChEMBL30,CHEMBL229429,N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1,WTLBLIGPXACYET,WTLBLIGPXACYET-UHFFFAOYSA-N,"InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2","""AuxInfo=1/0/N:6,7,4,15,18,12,2,9,5,3,16,8,11,13,17,1,14,10/rA:18NCCCCCCCCSCCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s12;s8d11;d5;s15;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL888779,PMID:17571866,2007.0,PMID:17571866,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTLBLIGPXACYET_on_O15303_WT,Low,ChEMBL30,CHEMBL229429,N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1,WTLBLIGPXACYET,WTLBLIGPXACYET-UHFFFAOYSA-N,"InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2","""AuxInfo=1/0/N:6,7,4,15,18,12,2,9,5,3,16,8,11,13,17,1,14,10/rA:18NCCCCCCCCSCCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s12;s8d11;d5;s15;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL888778,PMID:17571866,2007.0,PMID:17571866,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTLBLIGPXACYET_on_Q13255_WT,Low,ChEMBL30,CHEMBL229429,N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1,WTLBLIGPXACYET,WTLBLIGPXACYET-UHFFFAOYSA-N,"InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2","""AuxInfo=1/0/N:6,7,4,15,18,12,2,9,5,3,16,8,11,13,17,1,14,10/rA:18NCCCCCCCCSCCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s12;s8d11;d5;s15;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888775,PMID:17571866,2007.0,PMID:17571866,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTLBLIGPXACYET_on_Q14416_WT,Low,ChEMBL30,CHEMBL229429,N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1,WTLBLIGPXACYET,WTLBLIGPXACYET-UHFFFAOYSA-N,"InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2","""AuxInfo=1/0/N:6,7,4,15,18,12,2,9,5,3,16,8,11,13,17,1,14,10/rA:18NCCCCCCCCSCCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s12;s8d11;d5;s15;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL888776,PMID:17571866,2007.0,PMID:17571866,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTLBLIGPXACYET_on_Q14833_WT,Low,ChEMBL30,CHEMBL229429,N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1,WTLBLIGPXACYET,WTLBLIGPXACYET-UHFFFAOYSA-N,"InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2","""AuxInfo=1/0/N:6,7,4,15,18,12,2,9,5,3,16,8,11,13,17,1,14,10/rA:18NCCCCCCCCSCCFNCCFC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s12;s8d11;d5;s15;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL888777,PMID:17571866,2007.0,PMID:17571866,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTMPMEMSQJFULV_on_P31644_WT,High,ChEMBL30,CHEMBL3681439,O=C(NC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,WTMPMEMSQJFULV,WTMPMEMSQJFULV-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O3/c21-20(22,23)18-15(17(26-29-18)12-4-2-1-3-5-12)11-28-16-9-6-13(10-24-16)19(27)25-14-7-8-14/h1-6,9-10,14H,7-8,11H2,(H,25,27)","""AuxInfo=1/1/N:25,24,26,23,27,8,5,6,9,29,12,22,7,4,13,10,21,14,2,15,16,17,18,28,3,20,1,11,19/E:(2,3)(4,5)(7,8)(21,22,23)/rA:29OCNCCCCCCCOCCCCFFFONCCCCCCCNC/rB:d1;s2;s3;s4;s4s5;s2;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s22d26;s10;s7d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.620,7.62,0.0,0.0,1.0,7.62,0.0
-WTMQZPVUVABCGY_on_P31644_WT,High,ChEMBL30,CHEMBL3681610,O=C(NCC(O)C(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,WTMQZPVUVABCGY,WTMQZPVUVABCGY-UHFFFAOYSA-N,"InChI=1S/C19H15F4N3O4/c20-14-4-1-11(2-5-14)17-13(10-30-26-17)9-29-16-6-3-12(7-24-16)18(28)25-8-15(27)19(21,22)23/h1-7,10,15,27H,8-9H2,(H,25,28)","""AuxInfo=1/1/N:23,28,12,24,27,13,30,4,16,18,22,11,17,25,5,14,21,2,7,26,8,9,10,29,3,20,6,1,15,19/E:(1,2)(4,5)(21,22,23)/rA:30OCNCCOCFFFCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5;s7;s7;s7;s2;d11;s12;d13;s14;s15;s16;d17;s18;s19;s17d20;s21;d22;s23;d24;s25;s25;s22d27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-WTOSZALGHMRXRI_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830899,Cc1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cc1,WTOSZALGHMRXRI,WTOSZALGHMRXRI-UHFFFAOYSA-N,"InChI=1S/C15H15N5S/c1-9-5-6-13(16-7-9)18-15-19-14-10-8-17-20-11(10)3-2-4-12(14)21-15/h5-8H,2-4H2,1H3,(H,17,20)(H,16,18,19)","""AuxInfo=1/1/N:1,12,13,11,21,20,3,16,2,15,14,10,5,9,7,4,17,6,8,18,19/rA:21CCCNCNCNCCCCCCCCNNSCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s9d14;s15;d16;s14s17;s7s10;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WTQJVGRBYHDLPD_on_Q13255_WT,High,ChEMBL30,CHEMBL3330827,COc1ccc(-n2cnc3c(scc3-c3cc(OC)ccc3)c2=O)cc1,WTQJVGRBYHDLPD,WTQJVGRBYHDLPD-UHFFFAOYSA-N,"InChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3","""AuxInfo=1/0/N:1,19,21,22,20,5,25,4,26,16,13,8,15,6,3,17,14,10,11,23,9,7,24,2,18,12/E:(6,7)(8,9)/rA:26COCCCCNCNCCSCCCCCOCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;s17;s18;d17;s20;s15d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-WTRFGUPJGAZXPS_on_P41594_WT,High,ChEMBL30,CHEMBL4064091,N#Cc1ccc(-c2nc3c(CCN(C(=O)c4ccccc4)C3)o2)nc1,WTRFGUPJGAZXPS,WTRFGUPJGAZXPS-UHFFFAOYSA-N,"InChI=1S/C19H14N4O2/c20-10-13-6-7-15(21-11-13)18-22-16-12-23(9-8-17(16)25-18)19(24)14-4-2-1-3-5-14/h1-7,11H,8-9,12H2","""AuxInfo=1/0/N:19,18,20,17,21,4,5,11,12,2,25,22,3,16,6,9,10,7,14,1,24,8,13,15,23/E:(2,3)(4,5)/rA:25NCCCCCCNCCCCNCOCCCCCCCONC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s16d20;s9s13;s7s10;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4046782,PMID:28838696,2017.0,PMID:28838696,2017,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-WTSBNULNQDAQLS_on_P14867_WT,Low,ChEMBL30,CHEMBL3137984,CC(=O)C1CCC2C3CCC4CC(O)(CN(C)C)CCC4(C)C3CCC12C,WTSBNULNQDAQLS,WTSBNULNQDAQLS-UHFFFAOYSA-N,"InChI=1S/C24H41NO2/c1-16(26)19-8-9-20-18-7-6-17-14-24(27,15-25(4)5)13-12-22(17,2)21(18)10-11-23(19,20)3/h17-21,27H,6-15H2,1-5H3","""AuxInfo=1/0/N:1,22,27,17,18,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,16,3,14/E:(4,5)/rA:27CCOCCCCCCCCCCOCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s16;s16;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WTSBNULNQDAQLS_on_P18507_WT,Low,ChEMBL30,CHEMBL3137984,CC(=O)C1CCC2C3CCC4CC(O)(CN(C)C)CCC4(C)C3CCC12C,WTSBNULNQDAQLS,WTSBNULNQDAQLS-UHFFFAOYSA-N,"InChI=1S/C24H41NO2/c1-16(26)19-8-9-20-18-7-6-17-14-24(27,15-25(4)5)13-12-22(17,2)21(18)10-11-23(19,20)3/h17-21,27H,6-15H2,1-5H3","""AuxInfo=1/0/N:1,22,27,17,18,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,16,3,14/E:(4,5)/rA:27CCOCCCCCCCCCCOCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s16;s16;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WTSBNULNQDAQLS_on_P47870_WT,Low,ChEMBL30,CHEMBL3137984,CC(=O)C1CCC2C3CCC4CC(O)(CN(C)C)CCC4(C)C3CCC12C,WTSBNULNQDAQLS,WTSBNULNQDAQLS-UHFFFAOYSA-N,"InChI=1S/C24H41NO2/c1-16(26)19-8-9-20-18-7-6-17-14-24(27,15-25(4)5)13-12-22(17,2)21(18)10-11-23(19,20)3/h17-21,27H,6-15H2,1-5H3","""AuxInfo=1/0/N:1,22,27,17,18,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,16,3,14/E:(4,5)/rA:27CCOCCCCCCCCCCOCNCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s16;s16;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-WTVQPHLJXYRMRY_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,44392708;CHEMBL183807,Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccc(-n2cncn2)cc1,WTVQPHLJXYRMRY,WTVQPHLJXYRMRY-UHFFFAOYSA-N,"InChI=1S/C24H29N3O4/c1-17(2)14-22(28)21-10-11-23(18(3)24(21)29)31-13-5-4-12-30-20-8-6-19(7-9-20)27-16-25-15-26-27/h6-11,15-17,29H,4-5,12-14H2,1-3H3","""AuxInfo=1/0/N:10,11,1,18,17,23,30,22,31,12,13,19,16,8,28,26,9,2,24,21,5,6,14,3,27,29,25,7,4,20,15/E:(1,2)(6,7)(8,9)/rA:31CCCOCCOCCCCCCCOCCCCOCCCCNCNCNCC/rB:s1;d2;s3;s3;s5;d6;s6;s8;s9;s9;d5;s12;s2d13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s25;d26;s27;s25d28;s24;s21d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240156;CHEMBL829721,PMID:15501058,2004.0,PubChemAID:240156;PMID:15501058,2010;2004,0,0;1,0,0,1;0,,=,  5.373;  5.370,5.372000000000001,0.002,0.002,2.0,5.372000000000001,0.002
-WTXOPBNFGJRVPA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3954534,Cn1cc(-c2cc(C#N)nc3c2ccc(Cc2ccnc(C(F)(F)F)c2)c3)cn1,WTXOPBNFGJRVPA,WTXOPBNFGJRVPA-UHFFFAOYSA-N,"InChI=1S/C21H14F3N5/c1-29-12-15(11-27-29)18-9-16(10-25)28-19-7-13(2-3-17(18)19)6-14-4-5-26-20(8-14)21(22,23)24/h2-5,7-9,11-12H,6H2,1H3","""AuxInfo=1/0/N:1,14,13,18,19,16,27,26,6,8,28,3,15,17,4,7,12,5,11,21,22,23,24,25,9,20,29,10,2/E:(22,23,24)/rA:29CNCCCCCCNNCCCCCCCCCNCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;t8;d7;s10;s5d11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s17d21;s11d15;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-WTYIFJAMRFPRCM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11952347;CHEMBL188977,CCCc1c2onc(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,WTYIFJAMRFPRCM,WTYIFJAMRFPRCM-UHFFFAOYSA-N,"InChI=1S/C26H33N5O3/c1-5-8-21-23(14-13-20-22(17-26(2,3)4)29-34-24(20)21)33-16-7-6-15-32-19-11-9-18(10-12-19)25-27-30-31-28-25/h9-14H,5-8,15-17H2,1-4H3,(H,27,28,30,31)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,22,19,9,27,24,14,4,8,17,5,28,10,29,32,7,30,31,23,18,6/E:(2,3,4)(9,10)(11,12)(27,28)(30,31)/rA:34CCCCCONCCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240274;CHEMBL829010,PMID:16005222,2005.0,PubChemAID:240274;PMID:16005222,2010;2005,0,0;1,0,0,1;0,,=,  6.103;  6.100,6.101,0.002,0.002,2.0,6.101,0.002
-WUABKNPITFITAH_on_P41594_WT,High,ChEMBL30,CHEMBL2151620,O=C(N1CCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1,WUABKNPITFITAH,WUABKNPITFITAH-UHFFFAOYSA-N,"InChI=1S/C17H19ClN4O2/c18-14-6-4-5-12(9-14)15-19-16(24-20-15)13-10-22(11-13)17(23)21-7-2-1-3-8-21/h4-6,9,13H,1-3,7-8,10-11H2","""AuxInfo=1/0/N:6,5,7,17,16,18,4,8,21,10,24,15,11,19,14,12,2,20,13,22,3,9,1,23/E:(2,3)(7,8)(10,11)/rA:24OCNCCCCCNCCCNCCCCCCClCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s2;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;s9s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-WUAGFWVSHPLBOW_on_Q13255_WT,High,ChEMBL30,CHEMBL3422878,N#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1n[nH]cc1)C2,WUAGFWVSHPLBOW,WUAGFWVSHPLBOW-UHFFFAOYSA-N,"InChI=1S/C19H16FN5OS/c20-13-3-1-12(2-4-13)10-22-18-15(9-21)14-6-8-25(11-17(14)27-18)19(26)16-5-7-23-24-16/h1-5,7,22H,6,8,10-11H2,(H,23,24)","""AuxInfo=1/1/N:8,13,9,12,26,17,25,18,2,6,27,7,10,16,3,22,15,4,20,11,1,5,24,23,19,21,14/E:(1,2)(3,4)/rA:27NCCCNCCCCCFCCSCCCCNCOCNNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s10;s7d12;s4;s14;s3d15;s16;s17;s18;s19;d20;s20;d22;s23;s24;s22d25;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-WUBUSFSWBGFPLO_on_P31644_WT,High,ChEMBL30,CHEMBL3681446,O=C(NCC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1,WUBUSFSWBGFPLO,WUBUSFSWBGFPLO-UHFFFAOYSA-N,"InChI=1S/C21H17F4N3O3/c22-15-6-3-13(4-7-15)18-16(19(31-28-18)21(23,24)25)11-30-17-8-5-14(10-26-17)20(29)27-9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,27,29)","""AuxInfo=1/1/N:6,7,24,29,9,25,28,10,4,31,13,5,23,8,26,14,11,22,15,2,16,27,17,18,19,30,3,21,1,12,20/E:(1,2)(3,4)(6,7)(23,24,25)/rA:31OCNCCCCCCCCOCCCCFFFONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5s6;s2;d8;s9;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s20;s14d21;s22;d23;s24;d25;s26;s26;s23d28;s11;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-WUDOPQXWPIFCFE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3944124,CCC(O)(c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1)C(F)(F)F,WUDOPQXWPIFCFE,WUDOPQXWPIFCFE-UHFFFAOYSA-N,"InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)20-29-30-31-32(20)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(27)33)28-17(15)9-12/h3-10,34H,2,11H2,1H3,(H2,27,33)","""AuxInfo=1/1/N:1,2,12,17,22,18,21,13,30,23,10,11,16,19,14,15,29,24,25,5,3,31,20,32,33,34,26,28,6,7,8,9,27,4/E:(4,5)(6,7)(24,25,26)/rA:34CCCOCNNNNCCCCCCCCCCFCCCCCNONCCCFFF/rB:s1;s2;s3;s3;d5;s6;d7;s5s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;d15;s23;s24;s25;d25;d24;s14s28;s11d29;s3;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-WUDZCQHMVXIBMK_on_P41594_WT,Low,ChEMBL30,CHEMBL208314,OC(c1ccc(Cl)cc1)c1ccnc(-c2ccccn2)n1,WUDZCQHMVXIBMK,WUDZCQHMVXIBMK-UHFFFAOYSA-N,"InChI=1S/C16H12ClN3O/c17-12-6-4-11(5-7-12)15(21)13-8-10-19-16(20-13)14-3-1-2-9-18-14/h1-10,15,21H","""AuxInfo=1/0/N:17,18,16,4,9,5,8,11,19,12,3,6,10,15,2,14,7,20,13,21,1/E:(4,5)(6,7)/rA:21OCCCCCClCCCCCNCCCCCCNN/rB:s1;s2;d3;s4;d5;s6;s6;s3d8;s2;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-WUHRQXVEDDSYLS_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647562,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2)c1,WUHRQXVEDDSYLS,WUHRQXVEDDSYLS-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O2S/c1-3-25-12-22-19-17(11-23-24-20(19)25)14-6-9-18(21)16(10-14)13-4-7-15(8-5-13)28(2,26)27/h4-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,23,2,19,27,13,20,26,14,28,10,4,18,12,21,17,11,15,6,7,16,5,9,8,3,24,25,22/E:(4,5)(7,8)(26,27)/CRV:28.6/rA:28CCNCNCCNNCCCCCCFCCCCCSCOOCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-WUINUICOEAZPLK_on_P14867_WT,Low,ChEMBL30,CHEMBL109209,Oc1nsc(C2CCNCC2)c1,WUINUICOEAZPLK,WUINUICOEAZPLK-UHFFFAOYSA-N,"InChI=1S/C8H12N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNSCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  4.590;  4.590,4.59,0.0,0.0,2.0,4.59,0.0
-WUINUICOEAZPLK_on_P18507_WT,Low,ChEMBL30,CHEMBL109209,Oc1nsc(C2CCNCC2)c1,WUINUICOEAZPLK,WUINUICOEAZPLK-UHFFFAOYSA-N,"InChI=1S/C8H12N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNSCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  4.590;  4.590,4.59,0.0,0.0,2.0,4.59,0.0
-WUINUICOEAZPLK_on_P28472_WT,Low,ChEMBL30,CHEMBL109209,Oc1nsc(C2CCNCC2)c1,WUINUICOEAZPLK,WUINUICOEAZPLK-UHFFFAOYSA-N,"InChI=1S/C8H12N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNSCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL866387,PMID:16480274,2006.0,PMID:16480274,2006,0,0,0,1,0,,=,  4.590;  4.590,4.59,0.0,0.0,2.0,4.59,0.0
-WULJJNIUCIHCRO_on_P41594_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2338582;CHEMBL2338580;CHEMBL2338581;CHEMBL2338580;CHEMBL2338582;71560069,O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1ccccn1,WULJJNIUCIHCRO,WULJJNIUCIHCRO-UHFFFAOYSA-N,"InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)","""AuxInfo=1/1/N:23,24,17,6,18,16,5,22,7,25,13,20,9,12,14,4,21,2,11,8,15,26,10,3,1,19/rA:26OCNCCCCCCNCCCCClCCCOCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;w?10;s11;d12;s13;s14;d14;s16;s12d17;s8s11;s4s8;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343303;CHEMBL2343304;CHEMBL2343304;CHEMBL2343303;CHEMBL2343304;PubChemAID:729737,PMID:23357634,2013.0,PMID:23357634;PMID:23357634;PMID:23357634;PMID:23357634;PMID:23357634;PubChemAID:729737,2013,0;1;1;0;1;0,0,0,1;0;0;1;0;0,0;0;0;0;0;1,,=,  6.750;  6.190;  5.540;  7.520;  6.940;  7.523,6.744,0.708,0.316,6.0,6.845,0.665
-WUNJCJOCGLXHNU_on_O00591_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_O14764_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P14867_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P18505_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P18507_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P28472_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P31644_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P34903_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P47869_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P47870_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P48169_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_P78334_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_Q16445_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUNJCJOCGLXHNU_on_Q99928_WT,Low,ChEMBL30,CHEMBL364173,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1,WUNJCJOCGLXHNU,WUNJCJOCGLXHNU-UHFFFAOYSA-N,"InChI=1S/C15H10Cl2F3N3S2/c1-24-14-11(10-3-2-4-25-10)13(21)23(22-14)12-8(16)5-7(6-9(12)17)15(18,19)20/h2-6H,21H2,1H3","""AuxInfo=1/0/N:1,23,22,24,9,15,10,7,16,21,20,6,18,3,11,8,17,12,13,14,19,4,5,2,25/E:(5,6)(8,9)(16,17)(18,19,20)/rA:25CSCNNCCClCCCFFFCCClCNCCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WUOPUOJVNJIUCT_on_P41594_WT,High,ChEMBL30,CHEMBL2349527,O=C(Nc1c(O)ccc(Cl)c1)c1noc2c1CCC2,WUOPUOJVNJIUCT,WUOPUOJVNJIUCT-UHFFFAOYSA-N,"InChI=1S/C13H11ClN2O3/c14-7-4-5-10(17)9(6-7)15-13(18)12-8-2-1-3-11(8)19-16-12/h4-6,17H,1-3H2,(H,15,18)","""AuxInfo=1/1/N:18,17,19,8,7,11,9,16,4,5,15,12,2,10,3,13,6,1,14/rA:19OCNCCOCCCClCCNOCCCCC/rB:d1;s2;s3;d4;s5;s5;d7;s8;s9;s4d9;s2;d12;s13;s14;s12d15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-WUOUFZKVGVKOMH_on_P31644_WT,High,ChEMBL30,CHEMBL3681481,Cc1c(CNc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(F)cc2)no1,WUOUFZKVGVKOMH,WUOUFZKVGVKOMH-UHFFFAOYSA-N,"InChI=1S/C22H23FN4O3/c1-14-19(21(27-30-14)15-2-5-17(23)6-3-15)13-25-20-7-4-16(12-24-20)22(28)26-18-8-10-29-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,24,25)(H,26,28)","""AuxInfo=1/1/N:1,23,28,8,24,27,7,14,18,15,17,19,4,2,22,9,25,13,3,6,21,10,26,20,5,12,29,11,16,30/E:(2,3)(5,6)(8,9)(10,11)/rA:30CCCCNCCCCCONCCCOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-WUPKQCAFDJBBKT_on_Q14833_WT,High,ChEMBL30,CHEMBL1223316,COc1c(NS(=O)(=O)c2c(OC)cc(NC(=O)c3ncccc3)cc2)cccc1,WUPKQCAFDJBBKT,WUPKQCAFDJBBKT-UHFFFAOYSA-N,"InChI=1S/C20H19N3O5S/c1-27-17-9-4-3-7-15(17)23-29(25,26)19-11-10-14(13-18(19)28-2)22-20(24)16-8-5-6-12-21-16/h3-13,23H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:1,12,27,28,22,21,26,23,29,24,25,20,13,14,4,18,3,10,9,16,19,15,5,17,7,8,2,11,6/E:(25,26)/CRV:29.6/rA:29COCCNSOOCCOCCCNCOCNCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;d6;s6;d9;s10;s11;s10;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s9d24;s4;d26;s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-WUPNJYUPJDFBLX_on_Q14416_WT,High,ChEMBL30,CHEMBL2029823,CCCCn1ccc(-c2cc(F)c(Oc3cc(C)nc(C)c3)cc2)c(C#N)c1=O,WUPNJYUPJDFBLX,WUPNJYUPJDFBLX-UHFFFAOYSA-N,"InChI=1S/C23H22FN3O2/c1-4-5-9-27-10-8-19(20(14-25)23(27)28)17-6-7-22(21(24)13-17)29-18-11-15(2)26-16(3)12-18/h6-8,10-13H,4-5,9H2,1-3H3","""AuxInfo=1/0/N:1,18,21,2,3,24,23,7,4,6,16,22,10,26,17,20,9,15,8,25,11,13,28,12,27,19,5,29,14/E:(2,3)(11,12)(15,16)/rA:29CCCCNCCCCCCFCOCCCCNCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;d15;s16;s17;d17;s19;s20;s15d20;s13;s9d23;d8;s25;t26;s5s25;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-WVEHLASNLHISFH_on_P41594_WT,High,ChEMBL30,CHEMBL2440605,O=C(Nc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1,WVEHLASNLHISFH,WVEHLASNLHISFH-UHFFFAOYSA-N,"InChI=1S/C16H10ClFN4O2/c17-11-1-2-21-15(5-11)22-16(23)10-3-12(18)6-13(4-10)24-14-7-19-9-20-8-14/h1-9H,(H,21,22,23)","""AuxInfo=1/1/N:8,9,12,24,5,15,19,23,21,11,6,13,16,18,4,2,7,14,20,22,10,3,1,17/E:(7,8)(19,20)/rA:24OCNCCCClCCNCCCFCCOCCNCNCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;d13;s15;s16;s17;d18;s19;d20;s21;s18d22;s11d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-WVFRQPCEUDYPFL_on_P41594_WT,High,ChEMBL30,CHEMBL3702463,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccnc(F)c1)ccc3,WVFRQPCEUDYPFL,WVFRQPCEUDYPFL-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-22-10-16(6-8-26-22)17-2-1-3-19-18(17)7-9-30-21(19)11-23(27-12-24(30)31)29-13-20(28-14-29)15-4-5-15/h1-3,6,8,10-11,13-15H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,23,18,24,19,28,14,3,13,7,10,22,21,17,16,9,15,26,5,2,27,25,4,8,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCNCFCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s26;s22d26;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-WVFRQPCEUDYPFL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702463,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccnc(F)c1)ccc3,WVFRQPCEUDYPFL,WVFRQPCEUDYPFL-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-22-10-16(6-8-26-22)17-2-1-3-19-18(17)7-9-30-21(19)11-23(27-12-24(30)31)29-13-20(28-14-29)15-4-5-15/h1-3,6,8,10-11,13-15H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,23,18,24,19,28,14,3,13,7,10,22,21,17,16,9,15,26,5,2,27,25,4,8,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCNCFCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s26;s22d26;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  4.740,4.74,0.0,0.0,1.0,4.74,0.0
-WVHZHNFHOCUBLS_on_P14867_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-WVHZHNFHOCUBLS_on_P18507_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.290;  7.980;  7.740;  6.580,7.648,0.6459999999999999,0.373,4.0,7.86,0.275
-WVHZHNFHOCUBLS_on_P28472_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL678329;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.740;  8.290;  7.980;  6.580,7.648,0.6459999999999999,0.373,4.0,7.86,0.275
-WVHZHNFHOCUBLS_on_P31644_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-WVHZHNFHOCUBLS_on_P34903_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.740,7.74,0.0,0.0,1.0,7.74,0.0
-WVHZHNFHOCUBLS_on_P47869_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-WVHZHNFHOCUBLS_on_Q16445_WT,Low,ChEMBL30,CHEMBL79945,Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,WVHZHNFHOCUBLS,WVHZHNFHOCUBLS-UHFFFAOYSA-N,"InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,20-21H","""AuxInfo=1/0/N:19,18,20,17,3,4,7,12,2,15,5,16,6,13,14,10,9,1,11,21,8/rA:21FCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s6;s8;s5d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WVKANQOVUXTWGO_on_P41594_WT,High,ChEMBL30,CHEMBL257701,Cc1cn2cccc2c(C#Cc2cc(O)ccc2)n1,WVKANQOVUXTWGO,WVKANQOVUXTWGO-UHFFFAOYSA-N,"InChI=1S/C16H12N2O/c1-12-11-18-9-3-6-16(18)15(17-12)8-7-13-4-2-5-14(19)10-13/h2-6,9-11,19H,1H3","""AuxInfo=1/0/N:1,17,6,18,16,7,11,10,5,13,3,2,12,14,9,8,19,4,15/rA:19CCCNCCCCCCCCCCOCCCN/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s2d9;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-WVKNAMPPTVCDER_on_P18507_WT,Low,ChEMBL30,CHEMBL2170370,CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1,WVKNAMPPTVCDER,WVKNAMPPTVCDER-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-3-26-21(25)20-18-12-22-19(15-10-8-14(2)9-11-15)16-6-4-5-7-17(16)24(18)13-23-20/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,22,21,23,20,13,16,12,17,8,25,14,11,18,19,7,10,6,4,9,26,24,5,3/E:(8,9)(10,11)/rA:26CCOCOCCCNCCCCCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2173576;CHEMBL2173575,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.040;  6.980,6.51,0.47,0.47,2.0,6.51,0.47
-WVKNAMPPTVCDER_on_P28472_WT,Low,ChEMBL30,CHEMBL2170370,CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1,WVKNAMPPTVCDER,WVKNAMPPTVCDER-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-3-26-21(25)20-18-12-22-19(15-10-8-14(2)9-11-15)16-6-4-5-7-17(16)24(18)13-23-20/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,22,21,23,20,13,16,12,17,8,25,14,11,18,19,7,10,6,4,9,26,24,5,3/E:(8,9)(10,11)/rA:26CCOCOCCCNCCCCCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2173576,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-WVKNAMPPTVCDER_on_P31644_WT,Low,ChEMBL30,CHEMBL2170370,CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1,WVKNAMPPTVCDER,WVKNAMPPTVCDER-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-3-26-21(25)20-18-12-22-19(15-10-8-14(2)9-11-15)16-6-4-5-7-17(16)24(18)13-23-20/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,22,21,23,20,13,16,12,17,8,25,14,11,18,19,7,10,6,4,9,26,24,5,3/E:(8,9)(10,11)/rA:26CCOCOCCCNCCCCCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2173576,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-WVKNAMPPTVCDER_on_P47869_WT,Low,ChEMBL30,CHEMBL2170370,CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1,WVKNAMPPTVCDER,WVKNAMPPTVCDER-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-3-26-21(25)20-18-12-22-19(15-10-8-14(2)9-11-15)16-6-4-5-7-17(16)24(18)13-23-20/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,22,21,23,20,13,16,12,17,8,25,14,11,18,19,7,10,6,4,9,26,24,5,3/E:(8,9)(10,11)/rA:26CCOCOCCCNCCCCCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL2173575,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-WVKNAMPPTVCDER_on_P47870_WT,Low,ChEMBL30,CHEMBL2170370,CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1,WVKNAMPPTVCDER,WVKNAMPPTVCDER-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-3-26-21(25)20-18-12-22-19(15-10-8-14(2)9-11-15)16-6-4-5-7-17(16)24(18)13-23-20/h4-11,13H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,22,21,23,20,13,16,12,17,8,25,14,11,18,19,7,10,6,4,9,26,24,5,3/E:(8,9)(10,11)/rA:26CCOCOCCCNCCCCCCCCCCCCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;d11;s12;d13;s14;s14;s11d16;s10;d18;s19;d20;s21;s18d22;s7s19;s24;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2173575,PMID:21751815,2011.0,PMID:21751815,2011,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-WVNGKXQNDMJTSH_on_P41594_WT,High,ChEMBL30,CHEMBL1779843,CNC(=O)c1cnc(C#Cc2ccccc2)cc1,WVNGKXQNDMJTSH,WVNGKXQNDMJTSH-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c1-16-15(18)13-8-10-14(17-11-13)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3,(H,16,18)","""AuxInfo=1/1/N:1,14,13,15,12,16,10,18,9,17,6,11,5,8,3,2,7,4/E:(3,4)(5,6)/rA:18CNCOCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,0,0,1,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-WVOQEAUFVNPCJM_on_P41594_WT,High,ChEMBL30,CHEMBL3644429,CC(O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,WVOQEAUFVNPCJM,WVOQEAUFVNPCJM-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-13(26)18-11-24(12-23-18)20-9-19-17-4-2-3-15(14-5-6-14)16(17)7-8-25(19)21(27)10-22-20/h2-4,9,11-14,26H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,5,26,2,21,20,15,16,4,24,7,10,8,27,6,12,3,11/E:(5,6)/rA:27CCOCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-WVOQEAUFVNPCJM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644429,CC(O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1,WVOQEAUFVNPCJM,WVOQEAUFVNPCJM-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c1-13(26)18-11-24(12-23-18)20-9-19-17-4-2-3-15(14-5-6-14)16(17)7-8-25(19)21(27)10-22-20/h2-4,9,11-14,26H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,18,19,17,22,23,14,13,25,9,5,26,2,21,20,15,16,4,24,7,10,8,27,6,12,3,11/E:(5,6)/rA:27CCOCCNCNCCONCCCCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s21s22;s12s16;s7w?24;s6;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-WVQUOYKFSBHPDN_on_Q13255_WT,High,ChEMBL30,CHEMBL2205372,O=c1c2c(ncn1-c1ccc(F)cc1)c1c(ncnc1NC1CC1)s2,WVQUOYKFSBHPDN,WVQUOYKFSBHPDN-UHFFFAOYSA-N,"InChI=1S/C17H12FN5OS/c18-9-1-5-11(6-2-9)23-8-21-13-12-15(22-10-3-4-10)19-7-20-16(12)25-14(13)17(23)24/h1-2,5-8,10H,3-4H2,(H,19,20,22)","""AuxInfo=1/1/N:10,13,23,24,9,14,18,6,11,22,8,15,4,3,20,16,2,12,19,17,5,21,7,1,25/E:(1,2)(3,4)(5,6)/rA:25OCCCNCNCCCCFCCCCNCNCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s22s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-WVSRBSUBCCOACN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3889983,CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)CCC1(C)C,WVSRBSUBCCOACN,WVSRBSUBCCOACN-UHFFFAOYSA-N,"InChI=1S/C21H22N2O/c1-21(2)14-13-18(20(24)23(21)3)19-12-11-17(15-22-19)10-9-16-7-5-4-6-8-16/h4-8,11-12,15,18H,13-14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,15,14,16,13,17,11,10,8,7,20,21,18,12,9,5,6,3,22,19,2,4/E:(1,2)(5,6)(7,8)/rA:24CNCOCCCCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-WVUMTMFBRIPBOS_on_P41594_WT,Medium,ChEMBL30,CHEMBL245405,Cc1nc(C#Cc2ncccc2)ccc1,WVUMTMFBRIPBOS,WVUMTMFBRIPBOS-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-7,10H,1H3","""AuxInfo=1/0/N:1,11,10,14,15,12,13,6,5,9,2,7,4,8,3/rA:15CCNCCCCNCCCCCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955;CHEMBL885956,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  7.410;  6.400,6.905,0.505,0.505,2.0,6.905,0.505
-WVUUYUBPRJLORS_on_P41594_WT,Low,ChEMBL30,CHEMBL1783860,C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,WVUUYUBPRJLORS,WVUUYUBPRJLORS-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,10,3,9,15,20,17,5,6,13,12,7,24,21,4,8,14,16,25,11/E:(3,4)(5,6)/rA:25CCCNCCCNCCSCCNCNCCCCClCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s20;s17d22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-WVUUYUBPRJLORS_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54586361;CHEMBL1783860,C=CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,WVUUYUBPRJLORS,WVUUYUBPRJLORS-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,6,3,7,24,20,17,5,10,11,12,9,14,21,4,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCCCNCCCCSCONCCCCClCCCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  7.222;  7.220,7.221,0.001,0.001,2.0,7.221,0.001
-WVUWGBPQSNOYEU_on_P41594_WT,High,ChEMBL30,CHEMBL3600427,CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(F)nc2)nc1,WVUWGBPQSNOYEU,WVUWGBPQSNOYEU-UHFFFAOYSA-N,"InChI=1S/C18H17ClFN5OS/c1-2-3-14(25-17(26)18-21-6-7-27-18)11-8-13(19)16(23-9-11)24-12-4-5-15(20)22-10-12/h4-10,14H,2-3H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,2,3,20,21,10,11,14,27,25,13,19,15,4,22,17,6,8,16,23,9,24,26,18,5,7,12/rA:27CCCCNCOCNCCSCCCClCNCCCCFNCNC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s4;d13;s14;s15;d15;s17;s18;d19;s20;d21;s22;s22;s19d24;s17;s13d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-WVZIJRDHBAWNCW_on_Q13224_WT,High,ChEMBL30,CHEMBL391389,FC(F)(F)Oc1ccc(C2=NC(c3ccccc3)CCCN2)cc1,WVZIJRDHBAWNCW,WVZIJRDHBAWNCW-UHFFFAOYSA-N,"InChI=1S/C18H17F3N2O/c19-18(20,21)24-15-10-8-14(9-11-15)17-22-12-4-7-16(23-17)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,22,23)","""AuxInfo=1/1/N:16,15,17,20,14,18,19,8,23,7,24,21,13,9,6,12,10,2,1,3,4,22,11,5/E:(2,3)(5,6)(8,9)(10,11)(19,20,21)/rA:24FCFFOCCCCCNCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;w?10;s11;s12;d13;s14;d15;s16;s13d17;s12;s19;s20;s10s21;s9;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887786,PMID:17498948,2007.0,PMID:17498948,2007,0,0,0,1,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-WVZSEUPGUDIELE_on_O15399_WT,Low,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544;CHEMBL832427;CHEMBL751686;CHEMBL751683,PMID:11514163,2001.0,PMID:14552795;PMID:15225705;PMID:11514163;PMID:12617901,2003;2004;2001;2003,1;1;0;0,0,0,0;0;1;1,0,,=,  8.220;  8.220;  8.250;  8.220,8.228,0.013000000000000001,0.006999999999999999,4.0,8.22,0.0
-WVZSEUPGUDIELE_on_O60391_WT,Low,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544;CHEMBL832427;CHEMBL751686;CHEMBL751683,PMID:11514163,2001.0,PMID:14552795;PMID:15225705;PMID:11514163;PMID:12617901,2003;2004;2001;2003,1;1;0;0,0,0,0;0;1;1,0,,=,  8.220;  8.220;  8.250;  8.220,8.228,0.013000000000000001,0.006999999999999999,4.0,8.22,0.0
-WVZSEUPGUDIELE_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683;CHEMBL857544;CHEMBL832427;CHEMBL751686,PMID:11514163,2001.0,PMID:12617901;PMID:14552795;PMID:15225705;PMID:11514163,2003;2003;2004;2001,0;1;1;0,0,0,1;0;0;1,0,,=,  8.220;  8.220;  8.220;  8.250,8.228,0.013000000000000001,0.006999999999999999,4.0,8.22,0.0
-WVZSEUPGUDIELE_on_Q05586_WT,Low,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL832427;CHEMBL828708;CHEMBL752265;CHEMBL751683;CHEMBL751686;CHEMBL747358,PMID:11514163,2001.0,PMID:14552795;PMID:15225705;PMID:15225705;PMID:14552795;PMID:12617901;PMID:11514163;PMID:12639560,2003;2004;2004;2003;2003;2001;2003,1;1;1;1;0;0;0,0,0,0;0;0;0;1;1;1,0,,=,  8.220;  8.220;  7.240;  7.240;  8.220;  8.250;  8.000,7.912999999999999,0.433,0.177,7.0,8.22,0.03
-WVZSEUPGUDIELE_on_Q12879_WT,High,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309003,PMID:11514163,2001.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.280,4.28,0.0,0.0,1.0,4.28,0.0
-WVZSEUPGUDIELE_on_Q13224_WT,High,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4254519;CHEMBL4480646,PMID:11514163,2001.0,PMID:29289890;PMID:30881618,2018;2019,0;1,0,0,1;0,0,,=,  6.760;  8.050,7.405,0.645,0.645,2.0,7.405,0.645
-WVZSEUPGUDIELE_on_Q14957_WT,Low,ChEMBL30,CHEMBL305195,CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1,WVZSEUPGUDIELE,WVZSEUPGUDIELE-UHFFFAOYSA-N,"InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,20,25,21,24,6,15,5,16,8,3,2,9,7,19,22,17,4,23,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25CCCNCCCCCCCCCCCCCOCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;s4s15;s2;s17;s17;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL832427;CHEMBL857544;CHEMBL751686;CHEMBL751683,PMID:11514163,2001.0,PMID:15225705;PMID:14552795;PMID:11514163;PMID:12617901,2004;2003;2001;2003,1;1;0;0,0,0,0;0;1;1,0,,=,  8.220;  8.220;  8.250;  8.220,8.228,0.013000000000000001,0.006999999999999999,4.0,8.22,0.0
-WWDOVXBGLHLBKB_on_P18507_WT,Low,ChEMBL30,CHEMBL190596,CCN(CC)C(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,WWDOVXBGLHLBKB,WWDOVXBGLHLBKB-UHFFFAOYSA-N,"InChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,5,2,4,21,26,22,25,17,18,14,9,20,23,15,12,8,11,19,6,24,16,13,27,3,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:27CCNCCCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-WWDOVXBGLHLBKB_on_P47869_WT,Low,ChEMBL30,CHEMBL190596,CCN(CC)C(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,WWDOVXBGLHLBKB,WWDOVXBGLHLBKB-UHFFFAOYSA-N,"InChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,5,2,4,21,26,22,25,17,18,14,9,20,23,15,12,8,11,19,6,24,16,13,27,3,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:27CCNCCCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-WWDOVXBGLHLBKB_on_P47870_WT,Low,ChEMBL30,CHEMBL190596,CCN(CC)C(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,WWDOVXBGLHLBKB,WWDOVXBGLHLBKB-UHFFFAOYSA-N,"InChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,5,2,4,21,26,22,25,17,18,14,9,20,23,15,12,8,11,19,6,24,16,13,27,3,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:27CCNCCCOCCNCCClCCClCCCCCCCClCCN/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;s12;d14;s15;s15;s11d17;s10;s19;d20;s21;d22;s23;s23;s20d25;s8d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-WWDXVOFHKJTAKM_on_P14867_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-WWDXVOFHKJTAKM_on_P18507_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.920;  7.820;  7.250;  7.770,7.94,0.608,0.35100000000000003,4.0,7.795,0.285
-WWDXVOFHKJTAKM_on_P28472_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.770;  8.920;  7.820;  7.250,7.94,0.608,0.35100000000000003,4.0,7.795,0.285
-WWDXVOFHKJTAKM_on_P31644_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-WWDXVOFHKJTAKM_on_P34903_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-WWDXVOFHKJTAKM_on_P47869_WT,Low,ChEMBL30,CHEMBL178710,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1,WWDXVOFHKJTAKM,WWDXVOFHKJTAKM-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,30,25,27,24,28,29,3,6,2,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCNCCOCNNCCCCCCCNNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-WWFSONMIVYZKJG_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3976080,Cc1cc(C)cc(Nc2c3ncccc3n[nH]2)c1,WWFSONMIVYZKJG,WWFSONMIVYZKJG-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c1-9-6-10(2)8-11(7-9)16-14-13-12(17-18-14)4-3-5-15-13/h3-8H,1-2H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,5,13,14,12,3,18,6,2,4,7,15,10,9,11,8,16,17/E:(1,2)(7,8)(9,10)/rA:18CCCCCCCNCCNCCCCNNC/rB:s1;d2;s3;s4;d4;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-WWGVQZDCRGVHMC_on_P41594_WT,High,ChEMBL30,CHEMBL3655589,Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1,WWGVQZDCRGVHMC,WWGVQZDCRGVHMC-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14/h2-11H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,18,3,5,17,19,23,21,11,13,2,6,16,10,14,7,20,12,22,9,8,15/rA:23CCCCCCCONCCNCCOCCCCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-WWHUAHHBOXKYNY_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771679,Cc1cc(-c2noc(C3CCCCN3C(=O)C3CC3)n2)ccc1,WWHUAHHBOXKYNY,WWHUAHHBOXKYNY-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c1-12-5-4-6-14(11-12)16-19-17(23-20-16)15-7-2-3-10-21(15)18(22)13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3","""AuxInfo=1/0/N:1,11,12,22,23,21,10,18,19,13,3,2,17,4,9,5,8,15,20,6,14,16,7/E:(8,9)/rA:23CCCCCNOCCCCCCNCOCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s9s13;s14;d15;s15;s17;s17s18;s5d8;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561;CHEMBL1772557,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  6.430;  6.550,6.49,0.06,0.06,2.0,6.49,0.06
-WWKCHJLBBNNNCI_on_P41594_WT,High,ChEMBL30,CHEMBL303090,Cc1nc(C#Cc2ccncc2)cs1,WWKCHJLBBNNNCI,WWKCHJLBBNNNCI-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)3-2-10-4-6-12-7-5-10/h4-8H,1H3","""AuxInfo=1/0/N:1,6,5,8,12,9,11,13,2,7,4,10,3,14/E:(4,5)(6,7)/rA:14CCNCCCCCCNCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;d4;s2s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:12519057,2003.0,PMID:15225713,2004,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-WWNTZZFTQLZTTN_on_P41594_WT,High,ChEMBL30,CHEMBL3736066,CC(C)(C)n1nnc2c1CCC(c1nc(C3CCCCC3)no1)C2,WWNTZZFTQLZTTN,WWNTZZFTQLZTTN-UHFFFAOYSA-N,"InChI=1S/C18H27N5O/c1-18(2,3)23-15-10-9-13(11-14(15)20-22-23)17-19-16(21-24-17)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,20,17,21,11,10,24,16,12,8,9,15,13,2,14,7,22,6,5,23/E:(1,2,3)(5,6)(7,8)/rA:24CCCCNNNCCCCCCNCCCCCCCNOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;d15;s13s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-WWSLKCMTKLTICP_on_Q12879_WT,Medium,ChEMBL30,CHEMBL147295,c1ccc(CC2CCN(CCCSc3nc4c(cccc4)[nH]3)CC2)cc1,WWSLKCMTKLTICP,WWSLKCMTKLTICP-UHFFFAOYSA-N,"InChI=1S/C22H27N3S/c1-2-7-18(8-3-1)17-19-11-14-25(15-12-19)13-6-16-26-22-23-20-9-4-5-10-21(20)24-22/h1-5,7-10,19H,6,11-17H2,(H,23,24)","""AuxInfo=1/1/N:1,2,26,19,20,11,3,25,18,21,7,24,10,8,23,12,5,4,6,17,16,14,22,15,9,13/E:(2,3)(4,5)(7,8)(9,10)(11,12)(14,15)(20,21)(23,24)/rA:26CCCCCCCCNCCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.190,4.19,0.0,0.0,1.0,4.19,0.0
-WWSLKCMTKLTICP_on_Q13224_WT,Medium,ChEMBL30,CHEMBL147295,c1ccc(CC2CCN(CCCSc3nc4c(cccc4)[nH]3)CC2)cc1,WWSLKCMTKLTICP,WWSLKCMTKLTICP-UHFFFAOYSA-N,"InChI=1S/C22H27N3S/c1-2-7-18(8-3-1)17-19-11-14-25(15-12-19)13-6-16-26-22-23-20-9-4-5-10-21(20)24-22/h1-5,7-10,19H,6,11-17H2,(H,23,24)","""AuxInfo=1/1/N:1,2,26,19,20,11,3,25,18,21,7,24,10,8,23,12,5,4,6,17,16,14,22,15,9,13/E:(2,3)(4,5)(7,8)(9,10)(11,12)(14,15)(20,21)(23,24)/rA:26CCCCCCCCNCCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-WWSLKCMTKLTICP_on_Q14957_WT,Medium,ChEMBL30,CHEMBL147295,c1ccc(CC2CCN(CCCSc3nc4c(cccc4)[nH]3)CC2)cc1,WWSLKCMTKLTICP,WWSLKCMTKLTICP-UHFFFAOYSA-N,"InChI=1S/C22H27N3S/c1-2-7-18(8-3-1)17-19-11-14-25(15-12-19)13-6-16-26-22-23-20-9-4-5-10-21(20)24-22/h1-5,7-10,19H,6,11-17H2,(H,23,24)","""AuxInfo=1/1/N:1,2,26,19,20,11,3,25,18,21,7,24,10,8,23,12,5,4,6,17,16,14,22,15,9,13/E:(2,3)(4,5)(7,8)(9,10)(11,12)(14,15)(20,21)(23,24)/rA:26CCCCCCCCNCCCSCNCCCCCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s19;s16d20;s14s17;s9;s6s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.290,4.29,0.0,0.0,1.0,4.29,0.0
-WWWMVWMDQURWSQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL186744,COc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc(C)cc1,WWWMVWMDQURWSQ,WWWMVWMDQURWSQ-UHFFFAOYSA-N,"InChI=1S/C20H17N5O/c1-14-9-10-19(26-2)17(12-14)15-6-5-7-16(13-15)25-23-20(22-24-25)18-8-3-4-11-21-18/h3-13H,1-2H3","""AuxInfo=1/0/N:24,1,18,17,7,6,8,19,25,26,16,22,21,23,5,9,4,14,3,13,15,12,20,11,10,2/rA:26COCCCCCCCNNNCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s5d9;s4;d22;s23;s23;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-WWWXSZYKLGLJCL_on_P41594_WT,High,ChEMBL30,CHEMBL2334979,CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1,WWWXSZYKLGLJCL,WWWXSZYKLGLJCL-UHFFFAOYSA-N,"InChI=1S/C23H24N6OS/c1-13-10-16(13)22(30)25-23-20(18-6-5-7-19(24-18)28(2)3)21(27-31-23)14-8-9-17-15(11-14)12-29(4)26-17/h5-9,11-13,16H,10H2,1-4H3,(H,25,30)","""AuxInfo=1/1/N:1,16,17,25,12,11,13,29,28,3,21,23,2,20,22,4,27,10,14,9,19,5,8,18,7,26,30,15,24,6,31/E:(2,3)/rA:31CCCCCONCCCCCCCNCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-WWWXSZYKLGLJCL_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67425323;CHEMBL2334979,CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1,WWWXSZYKLGLJCL,WWWXSZYKLGLJCL-UHFFFAOYSA-N,"InChI=1S/C23H24N6OS/c1-13-10-16(13)22(30)25-23-20(18-6-5-7-19(24-18)28(2)3)21(27-31-23)14-8-9-17-15(11-14)12-29(4)26-17/h5-9,11-13,16H,10H2,1-4H3,(H,25,30)","""AuxInfo=1/1/N:1,16,17,25,12,11,13,29,28,3,21,23,2,20,22,4,27,10,14,9,19,5,8,18,7,26,30,15,24,6,31/E:(2,3)/rA:31CCCCCONCCCCCCCNCCNCCCCCNCNCCCNS/rB:s1;s2;s2s3;s4;d5;s5;s7;d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s9;s19;d20;s21;d22;s23;s24;s24;s22d26;s27;s20d28;d19;s8s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:733653;CHEMBL2344545,PMID:23374867,2013.0,PubChemAID:733653;PMID:23374867,2013,0;1,0,0,0,1;0,,=,  5.020;  5.020,5.02,0.0,0.0,2.0,5.02,0.0
-WWYDDROIYKELRJ_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,24809687;CHEMBL2029803,CC(C)CCn1ccc(-c2ccc(N3CCOCC3)cc2)c(C#N)c1=O,WWYDDROIYKELRJ,WWYDDROIYKELRJ-UHFFFAOYSA-N,"InChI=1S/C21H25N3O2/c1-16(2)7-9-24-10-8-19(20(15-22)21(24)25)17-3-5-18(6-4-17)23-11-13-26-14-12-23/h3-6,8,10,16H,7,9,11-14H2,1-2H3","""AuxInfo=1/0/N:1,3,11,21,12,20,4,8,5,7,15,19,16,18,23,2,10,13,9,22,25,24,14,6,26,17/E:(1,2)(3,4)(5,6)(11,12)(13,14)/rA:26CCCCCNCCCCCCCNCCOCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s14s18;s13;s10d20;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:663068;CHEMBL2033868,PMID:22364337,2012.0,PubChemAID:663068;PMID:22364337,2013;2012,0,0;1,0,0,1;0,,=,  5.690;  5.690,5.69,0.0,0.0,2.0,5.69,0.0
-WWZKTJWODSYAGE_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,1314024;CHEMBL1509597,COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl,WWZKTJWODSYAGE,WWZKTJWODSYAGE-UHFFFAOYSA-N,"InChI=1S/C19H14BrClN2O4/c1-26-16-10-11(22-19(25)15-8-9-17(20)27-15)6-7-14(16)23-18(24)12-4-2-3-5-13(12)21/h2-10H,1H3,(H,22,25)(H,23,24)","""AuxInfo=1/1/N:1,23,24,22,25,15,16,10,11,4,5,21,26,17,9,3,12,19,7,13,27,6,18,20,8,2,14/rA:27COCCCNCOCCCCBrOCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9s12;d5;s15;s3d16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305;CHEMBL1678441,PMID:21247167,2011.0,PubChemAID:577305;PMID:21247167,2011,0,0;1,0,0,1;0,,=,  5.842;  5.840,5.841,0.001,0.001,2.0,5.841,0.001
-WXCRCHQGSPOSLF_on_P14867_WT,Low,ChEMBL30,CHEMBL204194,N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WXCRCHQGSPOSLF,WXCRCHQGSPOSLF-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-5-6-27-16(11-25-18(27)26-17)14-7-13(9-24-10-14)15-4-2-1-3-12(15)8-23/h1-7,9-11H","""AuxInfo=1/0/N:5,6,4,7,24,25,27,2,10,12,15,3,9,13,8,14,19,17,20,21,22,23,1,11,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCNCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-WXCRCHQGSPOSLF_on_P18507_WT,Low,ChEMBL30,CHEMBL204194,N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WXCRCHQGSPOSLF,WXCRCHQGSPOSLF-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-5-6-27-16(11-25-18(27)26-17)14-7-13(9-24-10-14)15-4-2-1-3-12(15)8-23/h1-7,9-11H","""AuxInfo=1/0/N:5,6,4,7,24,25,27,2,10,12,15,3,9,13,8,14,19,17,20,21,22,23,1,11,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCNCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-WXCRCHQGSPOSLF_on_P28472_WT,Low,ChEMBL30,CHEMBL204194,N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WXCRCHQGSPOSLF,WXCRCHQGSPOSLF-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-5-6-27-16(11-25-18(27)26-17)14-7-13(9-24-10-14)15-4-2-1-3-12(15)8-23/h1-7,9-11H","""AuxInfo=1/0/N:5,6,4,7,24,25,27,2,10,12,15,3,9,13,8,14,19,17,20,21,22,23,1,11,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCNCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-WXCRCHQGSPOSLF_on_P34903_WT,Low,ChEMBL30,CHEMBL204194,N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1,WXCRCHQGSPOSLF,WXCRCHQGSPOSLF-UHFFFAOYSA-N,"InChI=1S/C19H10F3N5/c20-19(21,22)17-5-6-27-16(11-25-18(27)26-17)14-7-13(9-24-10-14)15-4-2-1-3-12(15)8-23/h1-7,9-11H","""AuxInfo=1/0/N:5,6,4,7,24,25,27,2,10,12,15,3,9,13,8,14,19,17,20,21,22,23,1,11,16,18,26/E:(20,21,22)/rA:27NCCCCCCCCCNCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-WXEWBVGLBRURRV_on_P18507_WT,Low,ChEMBL30,CHEMBL208998,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccn1,WXEWBVGLBRURRV,WXEWBVGLBRURRV-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(15-8-4-5-9-22-15)16-10-24-26-19(29(16)27-20)13-6-2-3-7-14(13)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,14,17,26,29,22,7,4,13,18,25,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-WXEWBVGLBRURRV_on_P28472_WT,Low,ChEMBL30,CHEMBL208998,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccn1,WXEWBVGLBRURRV,WXEWBVGLBRURRV-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(15-8-4-5-9-22-15)16-10-24-26-19(29(16)27-20)13-6-2-3-7-14(13)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,14,17,26,29,22,7,4,13,18,25,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-WXEWBVGLBRURRV_on_P34903_WT,Low,ChEMBL30,CHEMBL208998,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccn1,WXEWBVGLBRURRV,WXEWBVGLBRURRV-UHFFFAOYSA-N,"InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(15-8-4-5-9-22-15)16-10-24-26-19(29(16)27-20)13-6-2-3-7-14(13)21/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,28,14,17,26,29,22,7,4,13,18,25,23,6,24,12,9,19,30,5,21,3,20,10,2,11,8/rA:30CNNCNCCOCNNCCCCCCCFNNCCCCCCCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-WXHRUWFOJGRMBN_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647567,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2C(F)F)c1,WXHRUWFOJGRMBN,WXHRUWFOJGRMBN-UHFFFAOYSA-N,"InChI=1S/C22H19F3N4O2S/c1-3-29-12-26-20-18(11-27-28-22(20)29)13-5-8-19(23)16(9-13)15-7-6-14(32(30,31)4-2)10-17(15)21(24)25/h5-12,21H,3-4H2,1-2H3","""AuxInfo=1/0/N:1,26,2,25,13,20,19,14,32,27,10,4,12,21,18,17,28,11,15,6,29,7,16,30,31,5,9,8,3,23,24,22/E:(24,25)(30,31)/CRV:32.6/rA:32CCNCNCCNNCCCCCCFCCCCCSOOCCCCCFFC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s21;s18d27;s28;s29;s29;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.450,7.45,0.0,0.0,1.0,7.45,0.0
-WXIFVEVHNGMUHP_on_Q13224_WT,High,ChEMBL30,CHEMBL3897632,FC(F)Oc1cc(-c2cn(Cc3n[nH]cc3)nc2)ccc1Cl,WXIFVEVHNGMUHP,WXIFVEVHNGMUHP-UHFFFAOYSA-N,"InChI=1S/C14H11ClF2N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)","""AuxInfo=1/1/N:19,20,16,15,6,18,9,11,7,8,12,21,5,2,22,1,3,14,17,13,10,4/E:(16,17)/rA:22FCFOCCCCCNCCNNCCNCCCCCl/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;s10;s11;d12;s13;s14;s12d15;s10;s8d17;d7;s19;s5d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3865240,PMID:27994728,2016.0,PMID:27994728,2016,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-WXLGXQNITHVMNC_on_O00222_WT,High,ExCAPE-DB,32169712,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1,WXLGXQNITHVMNC,WXLGXQNITHVMNC-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4S2/c1-14-12-21(15(2)25(14)18-6-10-20(11-7-18)31(23,28)29)22(27)13-30-19-8-4-17(5-9-19)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)(H2,23,28,29)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,4,16,3,12,23,24,9,21/E:(4,5)(6,7)(8,9)(10,11)(28,29)/CRV:31.6/rA:31CCONCCCCSCCOCCCNCCCCSNOOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;d21;d21;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-WXLGXQNITHVMNC_on_Q14831_WT,Low,ChEMBL30,CHEMBL3561235,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1,WXLGXQNITHVMNC,WXLGXQNITHVMNC-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4S2/c1-14-12-21(15(2)25(14)18-6-10-20(11-7-18)31(23,28)29)22(27)13-30-19-8-4-17(5-9-19)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)(H2,23,28,29)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,4,16,3,12,23,24,9,21/E:(4,5)(6,7)(8,9)(10,11)(28,29)/CRV:31.6/rA:31CCONCCCCSCCOCCCNCCCCSNOOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;d21;d21;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WXLGXQNITHVMNC_on_Q14833_WT,High,ExCAPE-DB,32169712,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1,WXLGXQNITHVMNC,WXLGXQNITHVMNC-UHFFFAOYSA-N,"InChI=1S/C22H23N3O4S2/c1-14-12-21(15(2)25(14)18-6-10-20(11-7-18)31(23,28)29)22(27)13-30-19-8-4-17(5-9-19)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)(H2,23,28,29)","""AuxInfo=1/1/N:28,15,1,6,31,18,26,7,30,19,25,29,10,27,14,2,5,17,8,20,13,11,22,4,16,3,12,23,24,9,21/E:(4,5)(6,7)(8,9)(10,11)(28,29)/CRV:31.6/rA:31CCONCCCCSCCOCCCNCCCCSNOOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;d17;s18;d19;s20;s21;d21;d21;s20;s17d25;s16;s27;s13d27;s8;s5d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WXLOSQFHJKGZSL_on_Q12879_WT,Medium,ChEMBL30,CHEMBL151339,c1ccc(CC2CCN(CCCSc3ncc[nH]3)CC2)cc1,WXLOSQFHJKGZSL,WXLOSQFHJKGZSL-UHFFFAOYSA-N,"InChI=1S/C18H25N3S/c1-2-5-16(6-3-1)15-17-7-12-21(13-8-17)11-4-14-22-18-19-9-10-20-18/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,16,17,10,8,19,12,5,4,6,14,15,18,9,13/E:(2,3)(5,6)(7,8)(9,10)(12,13)(19,20)/rA:22CCCCCCCCNCCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s14s17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-WXLOSQFHJKGZSL_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151339,c1ccc(CC2CCN(CCCSc3ncc[nH]3)CC2)cc1,WXLOSQFHJKGZSL,WXLOSQFHJKGZSL-UHFFFAOYSA-N,"InChI=1S/C18H25N3S/c1-2-5-16(6-3-1)15-17-7-12-21(13-8-17)11-4-14-22-18-19-9-10-20-18/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,16,17,10,8,19,12,5,4,6,14,15,18,9,13/E:(2,3)(5,6)(7,8)(9,10)(12,13)(19,20)/rA:22CCCCCCCCNCCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s14s17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-WXLOSQFHJKGZSL_on_Q14957_WT,Low,ChEMBL30,CHEMBL151339,c1ccc(CC2CCN(CCCSc3ncc[nH]3)CC2)cc1,WXLOSQFHJKGZSL,WXLOSQFHJKGZSL-UHFFFAOYSA-N,"InChI=1S/C18H25N3S/c1-2-5-16(6-3-1)15-17-7-12-21(13-8-17)11-4-14-22-18-19-9-10-20-18/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,19,20)","""AuxInfo=1/1/N:1,2,22,11,3,21,7,20,16,17,10,8,19,12,5,4,6,14,15,18,9,13/E:(2,3)(5,6)(7,8)(9,10)(12,13)(19,20)/rA:22CCCCCCCCNCCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s14s17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-WXMANEMLXIEOCJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3628104,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)occ1,WXMANEMLXIEOCJ,WXMANEMLXIEOCJ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-8-9-27-17(11)18(24)22-12-6-7-16(15(21)10-12)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,27,26,24,2,7,15,14,22,10,3,4,20,12,23,6,11,5,21,13,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  7.010;  7.010,7.01,0.0,0.0,2.0,7.01,0.0
-WXNRXFCELYNSBX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL331753,CC(C)CC(N)(C(=O)O)C1CC1C(=O)O,WXNRXFCELYNSBX,WXNRXFCELYNSBX-UHFFFAOYSA-N,"InChI=1S/C10H17NO4/c1-5(2)4-10(11,9(14)15)7-3-6(7)8(12)13/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,3,11,4,2,12,10,13,7,5,6,14,15,8,9/E:(1,2)(12,13)(14,15)/rA:15CCCCCNCOOCCCCOO/rB:s1;s2;s2;s4;s5;s5;d7;s7;s5;s10;s10s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-WXNRXFCELYNSBX_on_Q14832_WT,Medium,ChEMBL30,CHEMBL331753,CC(C)CC(N)(C(=O)O)C1CC1C(=O)O,WXNRXFCELYNSBX,WXNRXFCELYNSBX-UHFFFAOYSA-N,"InChI=1S/C10H17NO4/c1-5(2)4-10(11,9(14)15)7-3-6(7)8(12)13/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)","""AuxInfo=1/1/N:1,3,11,4,2,12,10,13,7,5,6,14,15,8,9/E:(1,2)(12,13)(14,15)/rA:15CCCCCNCOOCCCCOO/rB:s1;s2;s2;s4;s5;s5;d7;s7;s5;s10;s10s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-WXNUDKBDIVACCS_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3959958,Fc1cc(Nc2c3ncccc3n[nH]2)cc(C(F)(F)F)c1,WXNUDKBDIVACCS,WXNUDKBDIVACCS-UHFFFAOYSA-N,"InChI=1S/C13H8F4N4/c14-8-4-7(13(15,16)17)5-9(6-8)19-12-11-10(20-21-12)2-1-3-18-11/h1-6H,(H2,19,20,21)","""AuxInfo=1/1/N:10,11,9,21,15,3,16,2,4,12,7,6,17,1,18,19,20,8,5,13,14/E:(15,16,17)/rA:21FCCCNCCNCCCCNNCCCFFFC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s16;s17;s17;s17;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-WXPMOKPPVYEDAK_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892818,CC1(C)CC(=O)N(c2ncc(C#Cc3cccc(Cl)c3)cn2)C1,WXPMOKPPVYEDAK,WXPMOKPPVYEDAK-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)7-6-13-4-3-5-15(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,13,12,20,4,10,21,23,14,11,18,5,8,2,19,9,22,7,6/E:(1,2)(10,11)(20,21)/rA:23CCCCCONCNCCCCCCCCCClCCNC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s18;s14d18;s11;s8d21;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-WXUGPHBBQXCXOP_on_O00222_WT,High,ExCAPE-DB,73058452,CCOc1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,WXUGPHBBQXCXOP,WXUGPHBBQXCXOP-UHFFFAOYSA-N,"InChI=1S/C24H27NO3S/c1-5-28-22-12-8-20(9-13-22)25-17(2)14-23(18(25)3)24(26)16-29-15-19-6-10-21(27-4)11-7-19/h6-14H,5,15-16H2,1-4H3","""AuxInfo=1/0/N:1,10,27,23,2,19,25,6,28,20,24,5,29,11,17,15,9,26,18,7,21,4,12,13,8,14,22,3,16/E:(6,7)(8,9)(10,11)(12,13)/rA:29CCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s8d12;s26;s7;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-WXUGPHBBQXCXOP_on_Q14831_WT,Low,ChEMBL30,CHEMBL3560901,CCOc1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,WXUGPHBBQXCXOP,WXUGPHBBQXCXOP-UHFFFAOYSA-N,"InChI=1S/C24H27NO3S/c1-5-28-22-12-8-20(9-13-22)25-17(2)14-23(18(25)3)24(26)16-29-15-19-6-10-21(27-4)11-7-19/h6-14H,5,15-16H2,1-4H3","""AuxInfo=1/0/N:1,10,27,23,2,19,25,6,28,20,24,5,29,11,17,15,9,26,18,7,21,4,12,13,8,14,22,3,16/E:(6,7)(8,9)(10,11)(12,13)/rA:29CCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s8d12;s26;s7;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WXUGPHBBQXCXOP_on_Q14833_WT,High,ExCAPE-DB,73058452,CCOc1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1,WXUGPHBBQXCXOP,WXUGPHBBQXCXOP-UHFFFAOYSA-N,"InChI=1S/C24H27NO3S/c1-5-28-22-12-8-20(9-13-22)25-17(2)14-23(18(25)3)24(26)16-29-15-19-6-10-21(27-4)11-7-19/h6-14H,5,15-16H2,1-4H3","""AuxInfo=1/0/N:1,10,27,23,2,19,25,6,28,20,24,5,29,11,17,15,9,26,18,7,21,4,12,13,8,14,22,3,16/E:(6,7)(8,9)(10,11)(12,13)/rA:29CCOCCCCNCCCCCOCSCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s8d12;s26;s7;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WXYKFMCIKBZGRS_on_P41594_WT,Medium,ChEMBL30,CHEMBL186133,c1cnc(-c2nn(-c3cc(-c4cnccc4)ccc3)nn2)cc1,WXYKFMCIKBZGRS,WXYKFMCIKBZGRS-UHFFFAOYSA-N,InChI=1S/C17H12N6/c1-2-10-19-16(8-1)17-20-22-23(21-17)15-7-3-5-13(11-15)14-6-4-9-18-12-14/h1-12H,"""AuxInfo=1/0/N:23,1,18,15,17,16,19,22,14,2,9,12,10,11,8,4,5,13,3,21,6,20,7/rA:23CCNCCNNCCCCCNCCCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s8d18;s7;s5d20;s4;s1d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  7.200,7.2,0.0,0.0,1.0,7.2,0.0
-WXZFVWPFDHAMFM_on_P41594_WT,Medium,ChEMBL30,CHEMBL1784099,N#Cc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,WXZFVWPFDHAMFM,WXZFVWPFDHAMFM-UHFFFAOYSA-N,"InChI=1S/C22H27N3O/c23-15-19-3-1-2-4-20(19)24-5-7-25(8-6-24)21(26)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-14H2","""AuxInfo=1/0/N:5,6,4,7,10,26,11,25,18,20,22,24,16,23,2,19,17,21,3,8,13,15,1,9,12,14/E:(5,6)(7,8)(9,10,11)(12,13,14)(16,17,18)/rA:26NCCCCCCCNCCNCOCCCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s15s21;s15s19;s12;s9s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.630,5.63,0.0,0.0,1.0,5.63,0.0
-WYAWBNZFDPANCQ_on_O15399_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_O60391_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYAWBNZFDPANCQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL43800,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1,WYAWBNZFDPANCQ,WYAWBNZFDPANCQ-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O2/c15-7-5-10-12(17-6-7)13(19)11(14(20)18-10)8-3-1-2-4-9(8)16/h1-6H,(H2,18,19,20)","""AuxInfo=1/1/N:19,18,20,17,10,7,8,14,15,4,13,5,11,2,9,16,6,3,12,1/rA:20OCNCCNCCClCCOCCCClCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;s15;d17;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-WYDLCVBEYNEXAH_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2203308;57881754,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1F,WYDLCVBEYNEXAH,WYDLCVBEYNEXAH-UHFFFAOYSA-N,"InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)9-4-5-11(25-3)10(18)6-9/h4-8H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,4,24,20,8,6,25,3,14,10,11,15,13,22,26,19,21,9,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCNCCSCCCNCCNCNCOCCF/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  8.300;  8.301,8.3,0.001,0.001,2.0,8.3,0.0
-WYDNNTDOTHTKMT_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11383509;CHEMBL2112966,CCc1c(C(=O)OC(C)C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,WYDNNTDOTHTKMT,WYDNNTDOTHTKMT-UHFFFAOYSA-N,"InChI=1S/C23H29NO4/c1-5-15-12-18-13-17(22(25)16-6-9-19(27-4)10-7-16)8-11-20(18)24-21(15)23(26)28-14(2)3/h8,11-14,16,19H,5-7,9-10H2,1-4H3","""AuxInfo=1/0/N:1,9,10,23,2,19,25,14,20,24,13,28,26,8,3,18,15,27,21,12,4,16,5,11,17,6,22,7/E:(2,3)(6,7)(9,10)/rA:28CCCCCOOCCCNCCCCCOCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s4;d11;s12;d13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s21;s18s24;d15;s12s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  5.200;  5.200,5.2,0.0,0.0,2.0,5.2,0.0
-WYDQDVYUIYFOCH_on_P41594_WT,High,ChEMBL30,CHEMBL3597594,Cc1nc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1,WYDQDVYUIYFOCH,WYDQDVYUIYFOCH-UHFFFAOYSA-N,"InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3","""AuxInfo=1/0/N:1,24,6,15,25,7,23,5,16,9,22,14,10,21,2,8,4,17,12,13,3,11,18,19,20/E:(10,11)(13,14)(24,25)/CRV:23.5/rA:25CCNCCCCCCCNCNCCCCN+OO-CCCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s17;d18;s18;s11;s8s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4413473;CHEMBL4413470,PMID:26014480,2015.0,PMID:30624919,2019,1;0,0,0,0;1,0,,=,  9.100;  9.300,9.2,0.1,0.1,2.0,9.2,0.1
-WYDUSKDSKCASEF_on_O15399_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_O60391_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_Q05586_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_Q12879_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_Q13224_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYDUSKDSKCASEF_on_Q14957_WT,Low,ChEMBL30,CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,WYDUSKDSKCASEF,WYDUSKDSKCASEF-UHFFFAOYSA-N,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2","""AuxInfo=1/0/N:13,19,12,14,18,20,7,8,11,15,17,21,3,6,9,4,10,16,2,5,1/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21OCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s2;d10;s11;d12;s13;s10d14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WYIVVYNLIRBIMG_on_P18507_WT,Low,ChEMBL30,CHEMBL237278,C#Cc1ccc(-n2nncc2CCCC)cc1,WYIVVYNLIRBIMG,WYIVVYNLIRBIMG-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-3-5-6-14-11-15-16-17(14)13-9-7-12(4-2)8-10-13/h2,7-11H,3,5-6H2,1H3","""AuxInfo=1/0/N:15,1,14,2,13,12,4,17,5,16,10,3,6,11,9,8,7/E:(7,8)(9,10)/rA:17CCCCCCNNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s12;s13;s14;s6;s3d16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-WYIVVYNLIRBIMG_on_P47869_WT,Low,ChEMBL30,CHEMBL237278,C#Cc1ccc(-n2nncc2CCCC)cc1,WYIVVYNLIRBIMG,WYIVVYNLIRBIMG-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-3-5-6-14-11-15-16-17(14)13-9-7-12(4-2)8-10-13/h2,7-11H,3,5-6H2,1H3","""AuxInfo=1/0/N:15,1,14,2,13,12,4,17,5,16,10,3,6,11,9,8,7/E:(7,8)(9,10)/rA:17CCCCCCNNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s12;s13;s14;s6;s3d16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-WYIVVYNLIRBIMG_on_P47870_WT,Low,ChEMBL30,CHEMBL237278,C#Cc1ccc(-n2nncc2CCCC)cc1,WYIVVYNLIRBIMG,WYIVVYNLIRBIMG-UHFFFAOYSA-N,"InChI=1S/C14H15N3/c1-3-5-6-14-11-15-16-17(14)13-9-7-12(4-2)8-10-13/h2,7-11H,3,5-6H2,1H3","""AuxInfo=1/0/N:15,1,14,2,13,12,4,17,5,16,10,3,6,11,9,8,7/E:(7,8)(9,10)/rA:17CCCCCCNNNCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s12;s13;s14;s6;s3d16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-WYMQGANITXWQQR_on_P41594_WT,High,ChEMBL30,CHEMBL2346727,Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(C)n2)ccc1,WYMQGANITXWQQR,WYMQGANITXWQQR-UHFFFAOYSA-N,"InChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25)","""AuxInfo=1/1/N:1,10,21,24,25,23,13,14,19,2,9,20,12,17,15,4,8,6,18,16,3,22,5,11,7/rA:25CCNCNCOCCCNCCCCFCClCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s15;s17;s12d17;s11;s20;s8d20;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-WYMYQEHQOIOBNL_on_P41594_WT,High,ChEMBL30,CHEMBL2431423,CC1=NC2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2O1,WYMYQEHQOIOBNL,WYMYQEHQOIOBNL-UHFFFAOYSA-N,"InChI=1S/C25H25FN4O2/c1-16-12-19(8-9-20(16)26)22-13-30(25(28-22)18-6-4-3-5-7-18)15-24(31)29-11-10-21-23(14-29)32-17(2)27-21/h3-9,12-13,21,23H,10-11,14-15H2,1-2H3","""AuxInfo=1/0/N:17,1,27,26,28,25,29,21,20,5,6,15,12,30,10,16,2,24,14,18,4,13,31,8,23,19,3,22,7,11,9,32/E:(4,5)(6,7)/rA:32CCNCCCNCOCNCCCCCCCFCCNCCCCCCCCCO/rB:s1;w?2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s15;s16;d16;s18;s18;s14d20;s13;s11d22;s23;d24;s25;d26;s27;s24d28;s7;s4s30;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-WYTHHHIIQQUQJM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115662,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)F,WYTHHHIIQQUQJM,WYTHHHIIQQUQJM-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O3/c1-13-9-14(5-7-26-13)20-17-6-8-30-16(11-23)12-28(17)21(27-20)15-3-4-18(31-22(24)25)19(10-15)29-2/h3-5,7,9-10,16,22H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,25,26,10,17,11,18,15,4,21,23,13,9,5,20,16,27,3,8,6,29,22,30,31,12,7,24,2,19,28/E:(24,25)/rA:31COCCCCNCCCCNCCCCCCOCCFCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-WYVIRJSGYSGZCX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3976079,CS(=O)(=O)c1ccc(Nc2c3ncccc3n[nH]2)cc1F,WYVIRJSGYSGZCX,WYVIRJSGYSGZCX-UHFFFAOYSA-N,"InChI=1S/C13H11FN4O2S/c1-21(19,20)11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,14,15,7,6,13,19,8,20,16,5,11,10,21,12,9,17,18,3,4,2/E:(19,20)/CRV:21.6/rA:21CSOOCCCCNCCNCCCCNNCCF/rB:s1;d2;d2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s8;s5d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  4.940,4.94,0.0,0.0,1.0,4.94,0.0
-WZBQCVASVHWREM_on_P41594_WT,High,ChEMBL30,CHEMBL3702416,CCOC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,WZBQCVASVHWREM,WZBQCVASVHWREM-UHFFFAOYSA-N,"InChI=1S/C19H17IN4O3/c1-2-27-19(26)15-10-23(11-22-15)17-8-16-13-4-3-5-14(20)12(13)6-7-24(16)18(25)9-21-17/h3-5,8,10-11H,2,6-7,9H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,16,15,25,11,7,26,17,18,22,6,24,9,12,4,23,10,27,8,14,13,5,3/rA:27CCOCOCCNCNCCONCCCCCCCCICCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;s14s18;s9w?24;s8;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-WZBQCVASVHWREM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702416,CCOC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1,WZBQCVASVHWREM,WZBQCVASVHWREM-UHFFFAOYSA-N,"InChI=1S/C19H17IN4O3/c1-2-27-19(26)15-10-23(11-22-15)17-8-16-13-4-3-5-14(20)12(13)6-7-24(16)18(25)9-21-17/h3-5,8,10-11H,2,6-7,9H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,16,15,25,11,7,26,17,18,22,6,24,9,12,4,23,10,27,8,14,13,5,3/rA:27CCOCOCCNCNCCONCCCCCCCCICCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;w?9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;s20;s17d21;s22;s14s18;s9w?24;s8;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WZDFOEWDAJKMNR_on_Q14416_WT,High,ChEMBL30,CHEMBL1669399,CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4ccc(Cl)nc4)cc3)c2)c1=O,WZDFOEWDAJKMNR,WZDFOEWDAJKMNR-UHFFFAOYSA-N,"InChI=1S/C24H20Cl2N2O2/c1-2-10-28-11-9-18-12-19(13-21(25)23(18)24(28)29)17-4-6-20(7-5-17)30-15-16-3-8-22(26)27-14-16/h3-9,11-14H,2,10,15H2,1H3","""AuxInfo=1/0/N:1,2,20,14,27,15,26,21,6,3,5,28,11,25,18,19,13,7,12,16,9,22,8,29,10,23,24,4,30,17/E:(4,5)(6,7)/rA:30CCCNCCCCCClCCCCCCOCCCCCClNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s22;s19d24;s16;s13d26;s7d12;s4s8;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-WZDQGWVWGJQFNL_on_P41594_WT,Low,ChEMBL30,CHEMBL329905,Cc1c(C(N)C(=O)O)cc(O)c(C(=O)O)c1,WZDQGWVWGJQFNL,WZDQGWVWGJQFNL-UHFFFAOYSA-N,"InChI=1S/C10H11NO5/c1-4-2-6(9(13)14)7(12)3-5(4)8(11)10(15)16/h2-3,8,12H,11H2,1H3,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:1,16,9,2,3,12,10,4,13,6,5,11,14,15,7,8/E:(13,14)(15,16)/rA:16CCCCNCOOCCOCCOOC/rB:s1;d2;s3;s4;s4;d6;s6;s3;d9;s10;s10;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL819436,DOI:10.1016/S0960-894X(97)10071-3,1997.0,DOI:10.1016/S0960-894X(97)10071-3,1997,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-WZDQGWVWGJQFNL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL329905,Cc1c(C(N)C(=O)O)cc(O)c(C(=O)O)c1,WZDQGWVWGJQFNL,WZDQGWVWGJQFNL-UHFFFAOYSA-N,"InChI=1S/C10H11NO5/c1-4-2-6(9(13)14)7(12)3-5(4)8(11)10(15)16/h2-3,8,12H,11H2,1H3,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:1,16,9,2,3,12,10,4,13,6,5,11,14,15,7,8/E:(13,14)(15,16)/rA:16CCCCNCOOCCOCCOOC/rB:s1;d2;s3;s4;s4;d6;s6;s3;d9;s10;s10;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL822315,DOI:10.1016/S0960-894X(97)10071-3,1997.0,DOI:10.1016/S0960-894X(97)10071-3,1997,1,0,0,0,0,,=,  4.140,4.14,0.0,0.0,1.0,4.14,0.0
-WZEYRRLDGJKLKG_on_P41594_WT,Low,ChEMBL30,CHEMBL461035,CC(C)(C)CC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1,WZEYRRLDGJKLKG,WZEYRRLDGJKLKG-UHFFFAOYSA-N,"InChI=1S/C19H23FN4O/c1-19(2,3)12-18(25)23-10-8-14(9-11-23)16-13-24(22-21-16)17-7-5-4-6-15(17)20/h4-8,13H,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,20,18,21,10,24,9,25,5,13,11,16,12,15,6,2,17,23,22,8,14,7/E:(1,2,3)/rA:25CCCCCCONCCCCCNCCFCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-WZEYRRLDGJKLKG_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL461035;44588429,CC(C)(C)CC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1,WZEYRRLDGJKLKG,WZEYRRLDGJKLKG-UHFFFAOYSA-N,"InChI=1S/C19H23FN4O/c1-19(2,3)12-18(25)23-10-8-14(9-11-23)16-13-24(22-21-16)17-7-5-4-6-15(17)20/h4-8,13H,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,20,18,21,10,24,9,25,5,13,11,16,12,15,6,2,17,23,22,8,14,7/E:(1,2,3)/rA:25CCCCCCONCCCCCNCCFCCCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;s16;d18;s19;s15d20;s14;s12d22;s11;s8s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406;PubChemAID:389921,PMID:18849168,2008.0,PMID:18849168;PubChemAID:389921,2008;2010,1;0,0,0,0,0;1,,=,  6.920;  6.921,6.921,0.0,0.0,2.0,6.921,0.001
-WZGJKONTYDNKIU_on_P41594_WT,Medium,ChEMBL30,CHEMBL391604,CN1CC(=O)N=C1NC(=O)Nc1csc(Cl)c1,WZGJKONTYDNKIU,WZGJKONTYDNKIU-UHFFFAOYSA-N,"InChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,15,16)","""AuxInfo=1/1/N:1,17,3,13,12,15,4,7,9,16,11,6,8,2,5,10,14/rA:17CNCCONCNCONCCSCClC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s14;s15;s12d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885956;CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.360;  7.110,6.735,0.375,0.375,2.0,6.735,0.375
-WZLVLKNPYINXHX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53246019;CHEMBL2403658;CHEMBL2403658,O=C1NCCc2c1sc(C#Cc1ccccc1)n2,WZLVLKNPYINXHX,WZLVLKNPYINXHX-UHFFFAOYSA-N,"InChI=1S/C14H10N2OS/c17-14-13-11(8-9-15-14)16-12(18-13)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,15,17)","""AuxInfo=1/1/N:15,14,16,13,17,11,10,5,4,12,6,9,7,2,3,18,1,8/E:(2,3)(4,5)/rA:18OCNCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s6d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:759037;CHEMBL2426830;CHEMBL2405254,PMID:23770058,2013.0,PubChemAID:759037;PMID:23947773;PMID:23770058,2014;2013;2013,0,0;1;1,0,0,1;0;0,,=,  6.951;  6.910;  6.950,6.937,0.019,0.013999999999999999,3.0,6.95,0.001
-WZMIJWJUCFJDKK_on_P41594_WT,High,ChEMBL30,CHEMBL270633,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3conc3)c2)n1,WZMIJWJUCFJDKK,WZMIJWJUCFJDKK-UHFFFAOYSA-N,"InChI=1S/C20H12F3N3O/c1-13-10-26-11-17(20(21,22)23)8-19(26)18(25-13)6-5-14-3-2-4-15(7-14)16-9-24-27-12-16/h2-4,7-12H,1H3","""AuxInfo=1/0/N:1,18,17,19,15,14,26,11,25,3,5,22,2,16,20,21,6,13,12,7,8,9,10,24,27,4,23/E:(21,22,23)/rA:27CCCNCCCFFFCCCCCCCCCCCCONCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;d21;s22;s23;s21d24;s16d20;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-WZNQGAWPCOPXOK_on_P14867_WT,Low,ChEMBL30,CHEMBL43876,Cc1csc(-c2cc(-c3cnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,WZNQGAWPCOPXOK,WZNQGAWPCOPXOK-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-10-17(16-4-2-7-23-11-16)20-19-12-24-8-6-15(19)5-3-9-26(20)22(18)27/h2,4,6-8,10-13H,3,5,9H2,1H3","""AuxInfo=1/0/N:1,13,23,14,22,18,12,19,24,7,10,21,3,2,17,9,8,6,16,15,5,26,11,20,28,25,27,4/rA:28CCCSCCCCCCNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.280,8.28,0.0,0.0,1.0,8.28,0.0
-WZNQGAWPCOPXOK_on_P18507_WT,Low,ChEMBL30,CHEMBL43876,Cc1csc(-c2cc(-c3cnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,WZNQGAWPCOPXOK,WZNQGAWPCOPXOK-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-10-17(16-4-2-7-23-11-16)20-19-12-24-8-6-15(19)5-3-9-26(20)22(18)27/h2,4,6-8,10-13H,3,5,9H2,1H3","""AuxInfo=1/0/N:1,13,23,14,22,18,12,19,24,7,10,21,3,2,17,9,8,6,16,15,5,26,11,20,28,25,27,4/rA:28CCCSCCCCCCNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.280;  8.620,8.45,0.17,0.17,2.0,8.45,0.17
-WZNQGAWPCOPXOK_on_P28472_WT,Low,ChEMBL30,CHEMBL43876,Cc1csc(-c2cc(-c3cnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,WZNQGAWPCOPXOK,WZNQGAWPCOPXOK-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-10-17(16-4-2-7-23-11-16)20-19-12-24-8-6-15(19)5-3-9-26(20)22(18)27/h2,4,6-8,10-13H,3,5,9H2,1H3","""AuxInfo=1/0/N:1,13,23,14,22,18,12,19,24,7,10,21,3,2,17,9,8,6,16,15,5,26,11,20,28,25,27,4/rA:28CCCSCCCCCCNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680430;CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.620;  8.280,8.45,0.17,0.17,2.0,8.45,0.17
-WZNQGAWPCOPXOK_on_P34903_WT,Low,ChEMBL30,CHEMBL43876,Cc1csc(-c2cc(-c3cnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1,WZNQGAWPCOPXOK,WZNQGAWPCOPXOK-UHFFFAOYSA-N,"InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-10-17(16-4-2-7-23-11-16)20-19-12-24-8-6-15(19)5-3-9-26(20)22(18)27/h2,4,6-8,10-13H,3,5,9H2,1H3","""AuxInfo=1/0/N:1,13,23,14,22,18,12,19,24,7,10,21,3,2,17,9,8,6,16,15,5,26,11,20,28,25,27,4/rA:28CCCSCCCCCCNCCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-WZPADMVXGDUSLR_on_P41594_WT,High,ChEMBL30,CHEMBL2164546,N#Cc1cc(F)cc(-c2noc(-c3ncccc3)n2)c1,WZPADMVXGDUSLR,WZPADMVXGDUSLR-UHFFFAOYSA-N,InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)13-18-14(20-19-13)12-3-1-2-4-17-12/h1-7H,"""AuxInfo=1/0/N:17,16,18,15,20,4,7,2,3,8,5,13,9,12,6,1,14,19,10,11/rA:20NCCCCFCCCNOCCNCCCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s9d12;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-WZRFJAWNOKIPAY_on_Q13224_WT,Medium,ChEMBL30,CHEMBL162081,N=C(NCc1cc(Cl)ccc1)c1cc(Cl)ccc1,WZRFJAWNOKIPAY,WZRFJAWNOKIPAY-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2N2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)","""AuxInfo=1/1/N:10,17,11,18,9,16,6,13,4,5,12,7,14,2,8,15,1,3/rA:18NCNCCCCClCCCCCCClCCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749390;CHEMBL749675,PMID:12639561,2003.0,PMID:12639561,2003,1;0,0,0,0;1,0,,=,  6.380;  6.100,6.24,0.14,0.14,2.0,6.24,0.14
-WZUXJHOWBDMZJG_on_Q14416_WT,Medium,ChEMBL30,CHEMBL322588,CCC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1,WZUXJHOWBDMZJG,WZUXJHOWBDMZJG-UHFFFAOYSA-N,"InChI=1S/C18H21F3N2O3S/c1-3-14(2)26-17-8-4-7-16(10-17)23(12-15-6-5-9-22-11-15)27(24,25)13-18(19,20)21/h4-11,14H,3,12-13H2,1-2H3","""AuxInfo=1/0/N:1,4,2,8,17,18,9,7,16,27,14,12,22,3,13,10,6,23,24,25,26,15,11,20,21,5,19/E:(19,20,21)(24,25)/CRV:27.6/rA:27CCCCOCCCCCNCCCNCCCSOOCCFFFC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s11;d19;d19;s19;s22;s23;s23;s23;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-WZZOVCDYQXGSPZ_on_Q13255_WT,High,ChEMBL30,CHEMBL1951689,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(F)cc2)c1=O,WZZOVCDYQXGSPZ,WZZOVCDYQXGSPZ-UHFFFAOYSA-N,"InChI=1S/C17H12FN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,8,12,7,13,18,15,11,3,4,10,5,22,19,2,6,14,23,9/E:(2,3)(4,5)/rA:23CNCCCNCCSCCCCNCCCCFCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-XAADUMMVTUEUSP_on_O15399_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_O60391_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_Q05586_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_Q12879_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_Q13224_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XAADUMMVTUEUSP_on_Q14957_WT,Low,ChEMBL30,CHEMBL288904,O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O,XAADUMMVTUEUSP,XAADUMMVTUEUSP-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O4/c10-4-2-1-3-5-6(4)8(13)7(12(15)16)9(14)11-5/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:10,11,9,12,8,7,4,5,15,13,14,2,6,16,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCOCCCCCCClNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s7d11;s12;s8;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.210,4.21,0.0,0.0,1.0,4.21,0.0
-XABPGPSOWAGWFX_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL213967;11185714,CCC(C#Cc1nc(C)ccc1)Sc1cc(Cl)ccc1,XABPGPSOWAGWFX,XABPGPSOWAGWFX-UHFFFAOYSA-N,"InChI=1S/C17H16ClNS/c1-3-16(20-17-9-5-7-14(18)12-17)11-10-15-8-4-6-13(2)19-15/h4-9,12,16H,3H2,1-2H3","""AuxInfo=1/0/N:1,9,2,11,19,10,18,12,20,5,4,15,8,16,6,3,14,17,7,13/rA:20CCCCCCNCCCCCSCCCClCCC/rB:s1;s2;s3;t4;s5;d6;s7;s8;d8;s10;s6d11;s3;s13;d14;s15;s16;d16;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303;PubChemAID:270780,PMID:16837196,2006.0,PMID:16837196;PubChemAID:270780,2006;2010,1;0,0,0,0,0;1,,=,  6.060;  6.064,6.062,0.002,0.002,2.0,6.062,0.002
-XACBWWAPIAAVLN_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269128,NCCCNCCCCNCCCNC(=O)C(CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1,XACBWWAPIAAVLN,XACBWWAPIAAVLN-UHFFFAOYSA-N,"InChI=1S/C28H48N6O3/c29-15-9-18-30-16-7-8-17-31-19-10-20-32-28(37)25(34-27(36)24-13-5-2-6-14-24)22-33-26(35)21-23-11-3-1-4-12-23/h1,3-4,11-12,24-25,30-31H,2,5-10,13-22,29H2,(H,32,37)(H,33,35)(H,34,36)","""AuxInfo=1/1/N:26,35,25,27,34,36,7,8,3,12,24,28,33,37,2,6,9,4,11,13,22,18,23,32,17,20,30,15,1,5,10,14,19,29,21,31,16/E:(3,4)(5,6)(11,12)(13,14)/rA:37NCCCNCCCCNCCCNCOCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;d20;s20;s22;d23;s24;d25;s26;s23d27;s17;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-XACBWWAPIAAVLN_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269128,NCCCNCCCCNCCCNC(=O)C(CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1,XACBWWAPIAAVLN,XACBWWAPIAAVLN-UHFFFAOYSA-N,"InChI=1S/C28H48N6O3/c29-15-9-18-30-16-7-8-17-31-19-10-20-32-28(37)25(34-27(36)24-13-5-2-6-14-24)22-33-26(35)21-23-11-3-1-4-12-23/h1,3-4,11-12,24-25,30-31H,2,5-10,13-22,29H2,(H,32,37)(H,33,35)(H,34,36)","""AuxInfo=1/1/N:26,35,25,27,34,36,7,8,3,12,24,28,33,37,2,6,9,4,11,13,22,18,23,32,17,20,30,15,1,5,10,14,19,29,21,31,16/E:(3,4)(5,6)(11,12)(13,14)/rA:37NCCCNCCCCNCCCNCOCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;d20;s20;s22;d23;s24;d25;s26;s23d27;s17;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.550,5.55,0.0,0.0,1.0,5.55,0.0
-XACULFLTNACYQS_on_Q05586_WT,Low,ChEMBL30,CHEMBL3945685,Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,XACULFLTNACYQS,XACULFLTNACYQS-UHFFFAOYSA-N,"InChI=1S/C15H12ClF3N4OS/c1-7-13(8-2-3-8)23-12(24)4-9(20-14(23)25-7)6-22-11(16)5-10(21-22)15(17,18)19/h4-5,8H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,5,6,10,20,12,2,4,11,15,21,8,3,24,16,22,17,18,19,23,14,13,7,9,25/E:(2,3)(17,18,19)/rA:25CCCCCCNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s3;s7;d8;s8;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s13d20;s21;s11;s7d23;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-XACULFLTNACYQS_on_Q12879_WT,Low,ChEMBL30,CHEMBL3945685,Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,XACULFLTNACYQS,XACULFLTNACYQS-UHFFFAOYSA-N,"InChI=1S/C15H12ClF3N4OS/c1-7-13(8-2-3-8)23-12(24)4-9(20-14(23)25-7)6-22-11(16)5-10(21-22)15(17,18)19/h4-5,8H,2-3,6H2,1H3","""AuxInfo=1/0/N:1,5,6,10,20,12,2,4,11,15,21,8,3,24,16,22,17,18,19,23,14,13,7,9,25/E:(2,3)(17,18,19)/rA:25CCCCCCNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;s4;s4s5;s3;s7;d8;s8;d10;s11;s12;s13;d14;s15;s16;s16;s16;s15;s13d20;s21;s11;s7d23;s2s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-XAFARXNNTARHCK_on_P41594_WT,High,ChEMBL30,CHEMBL1779855,CN1CCc2c(ccc(C#Cc3ccccn3)n2)C1=O,XAFARXNNTARHCK,XAFARXNNTARHCK-UHFFFAOYSA-N,"InChI=1S/C16H13N3O/c1-19-11-9-15-14(16(19)20)8-7-13(18-15)6-5-12-4-2-3-10-17-12/h2-4,7-8,10H,9,11H2,1H3","""AuxInfo=1/0/N:1,14,15,13,11,10,8,7,4,16,3,12,9,6,5,19,17,18,2,20/rA:20CNCCCCCCCCCCCCCCNNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;s2s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PMID:21531137,2011,0;1,0,0,1;0,0,,=,  5.210;  6.740,5.975,0.765,0.765,2.0,5.975,0.765
-XAGOQHLVLYAAMO_on_P41594_WT,High,ChEMBL30,CHEMBL1681799,CN1CCOc2c1ncc(COc1ccccc1)c2,XAGOQHLVLYAAMO,XAGOQHLVLYAAMO-UHFFFAOYSA-N,"InChI=1S/C15H16N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,3,4,19,9,11,10,13,6,7,8,2,5,12/E:(3,4)(5,6)/rA:19CNCCOCCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.300;  7.300,7.3,0.0,0.0,2.0,7.3,0.0
-XAKGEHHPSWATME_on_Q05586_WT,Low,ChEMBL30,CHEMBL609755,CS(=O)(=O)Nc1ccc(CCC(=O)NNCCc2cc(Cl)c(Cl)cc2)cc1,XAKGEHHPSWATME,XAKGEHHPSWATME-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O3S/c1-27(25,26)23-15-6-2-13(3-7-15)5-9-18(24)22-21-11-10-14-4-8-16(19)17(20)12-14/h2-4,6-8,12,21,23H,5,9-11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,26,25,10,7,27,24,11,17,16,19,9,18,6,22,20,12,23,21,15,14,5,13,3,4,2/E:(2,3)(6,7)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONNCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-XAKGEHHPSWATME_on_Q13224_WT,Low,ChEMBL30,CHEMBL609755,CS(=O)(=O)Nc1ccc(CCC(=O)NNCCc2cc(Cl)c(Cl)cc2)cc1,XAKGEHHPSWATME,XAKGEHHPSWATME-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O3S/c1-27(25,26)23-15-6-2-13(3-7-15)5-9-18(24)22-21-11-10-14-4-8-16(19)17(20)12-14/h2-4,6-8,12,21,23H,5,9-11H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,8,26,25,10,7,27,24,11,17,16,19,9,18,6,22,20,12,23,21,15,14,5,13,3,4,2/E:(2,3)(6,7)(25,26)/CRV:27.6/rA:27CSOONCCCCCCCONNCCCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s9;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.320,5.32,0.0,0.0,1.0,5.32,0.0
-XAMVDLCXXPEEEG_on_O00591_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_O14764_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P14867_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P18505_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P18507_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P28472_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P31644_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P34903_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P47869_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P47870_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P48169_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_P78334_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_Q16445_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAMVDLCXXPEEEG_on_Q99928_WT,Low,ChEMBL30,CHEMBL149545,COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1,XAMVDLCXXPEEEG,XAMVDLCXXPEEEG-UHFFFAOYSA-N,"InChI=1S/C18H15N3O6/c1-27-16-6-10(2-5-15(16)22)8-20-18(24)17(23)13-9-19-14-4-3-11(21(25)26)7-12(13)14/h2-7,9,19,22H,8H2,1H3,(H,20,24)","""AuxInfo=1/1/N:1,7,20,19,6,27,25,9,16,8,21,26,15,18,4,3,13,11,17,10,22,5,14,12,23,24,2/E:(25,26)/CRV:21.5/rA:27COCCOCCCCNCOCOCCNCCCCN+OO-CCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;s9;s10;d11;s11;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XAOXZAQUVZOTHC_on_P41594_WT,High,ChEMBL30,CHEMBL3122221,CCC(C)NC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,XAOXZAQUVZOTHC,XAOXZAQUVZOTHC-UHFFFAOYSA-N,"InChI=1S/C19H23N5O2/c1-5-12(2)21-19(25)17-15-9-10-16(22-18(15)24(4)23-17)26-11-14-8-6-7-13(3)20-14/h6-10,12H,5,11H2,1-4H3,(H,21,25)","""AuxInfo=1/1/N:1,4,24,11,2,21,22,20,14,15,18,3,23,19,13,16,8,12,6,25,5,26,9,10,7,17/rA:26CCCCNCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-XAOXZAQUVZOTHC_on_Q13255_WT,High,ChEMBL30,CHEMBL3122221,CCC(C)NC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2,XAOXZAQUVZOTHC,XAOXZAQUVZOTHC-UHFFFAOYSA-N,"InChI=1S/C19H23N5O2/c1-5-12(2)21-19(25)17-15-9-10-16(22-18(15)24(4)23-17)26-11-14-8-6-7-13(3)20-14/h6-10,12H,5,11H2,1-4H3,(H,21,25)","""AuxInfo=1/1/N:1,4,24,11,2,21,22,20,14,15,18,3,23,19,13,16,8,12,6,25,5,26,9,10,7,17/rA:26CCCCNCOCNNCCCCCCOCCCCCCCNN/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;s10;s10;s8d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s23;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,=,  4.450,4.45,0.0,0.0,1.0,4.45,0.0
-XATJWBSAQYSZGF_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580234;CHEMBL2346720,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(F)c1,XATJWBSAQYSZGF,XATJWBSAQYSZGF-UHFFFAOYSA-N,"InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,6,9,19,20,24,2,4,7,18,22,14,3,15,8,23,21,17,13,11,16/E:(3,4)(5,6)/rA:24CCCCCCCFCCNCNCCONCCCNCFC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.381;  7.380,7.38,0.0,0.0,2.0,7.38,0.001
-XAWBHQAHNLHFPV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112584,NC(CCCc1ccccc1)(C(=O)O)C1CC1C(=O)O,XAWBHQAHNLHFPV,XAWBHQAHNLHFPV-UHFFFAOYSA-N,"InChI=1S/C15H19NO4/c16-15(14(19)20,12-9-11(12)13(17)18)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:9,8,10,4,7,11,5,3,16,6,17,15,18,12,2,1,19,20,13,14/E:(2,3)(5,6)(17,18)(19,20)/rA:20NCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XAWBHQAHNLHFPV_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112584,NC(CCCc1ccccc1)(C(=O)O)C1CC1C(=O)O,XAWBHQAHNLHFPV,XAWBHQAHNLHFPV-UHFFFAOYSA-N,"InChI=1S/C15H19NO4/c16-15(14(19)20,12-9-11(12)13(17)18)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:9,8,10,4,7,11,5,3,16,6,17,15,18,12,2,1,19,20,13,14/E:(2,3)(5,6)(17,18)(19,20)/rA:20NCCCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-XAXZXMJZHNVJEQ_on_O00591_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_O14764_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P14867_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P18505_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P18507_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P28472_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P31644_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P34903_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P47869_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P47870_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P48169_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_P78334_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAXZXMJZHNVJEQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL146434,COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1,XAXZXMJZHNVJEQ,XAXZXMJZHNVJEQ-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-4-2-3-11(7-13)9-21-18(23)17(22)15-10-20-16-6-5-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,6,4,19,18,24,22,8,15,7,20,3,23,14,17,12,10,21,16,9,13,11,2/rA:24COCCCCCCNCOCOCCNCCCCClCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XAYRKGQPJNSKPH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960039,Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC4CC4)c(Cl)c3)n2)cc(C)n1,XAYRKGQPJNSKPH,XAYRKGQPJNSKPH-UHFFFAOYSA-N,"InChI=1S/C24H26ClN3O2/c1-15-11-19(12-16(2)26-15)23-21-7-9-29-10-8-28(21)24(27-23)18-5-6-22(20(25)13-18)30-14-17-3-4-17/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3","""AuxInfo=1/0/N:1,29,21,22,15,16,7,11,8,10,3,27,25,19,2,28,20,14,4,23,6,17,5,13,24,30,26,12,9,18/E:(1,2)(3,4)(11,12)(15,16)/rA:30CCCCCCCCOCCNCCCCCOCCCCCClCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s18;s19;s20;s20s21;s17;s23;s14d23;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-XAYTWFFIZUKISD_on_P31644_WT,High,ChEMBL30,CHEMBL3681629,O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,XAYTWFFIZUKISD,XAYTWFFIZUKISD-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O5/c20-15-4-1-12(2-5-15)18-14(11-28-23-18)10-27-17-6-3-13(7-21-17)19(26)22-16(8-24)9-25/h1-7,11,16,24-25H,8-10H2,(H,22,26)","""AuxInfo=1/1/N:21,26,10,22,25,11,28,5,7,14,16,20,9,15,23,4,12,19,2,24,27,3,18,6,8,1,13,17/E:(1,2)(4,5)(8,9)(24,25)/rA:28OCNCCOCOCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s4;s7;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-XAZTXPDPPJQHKI_on_P18507_WT,Low,ChEMBL30,CHEMBL576468,Cc1c2Cn3nccc3-c3c(ccc(Br)c3)-n2cn1,XAZTXPDPPJQHKI,XAZTXPDPPJQHKI-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-14-7-19-13(4-5-17-19)11-6-10(15)2-3-12(11)18(14)8-16-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,8,7,16,4,18,2,14,10,11,9,3,15,19,6,17,5/rA:19CCCCNNCCCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-XAZTXPDPPJQHKI_on_P28472_WT,Low,ChEMBL30,CHEMBL576468,Cc1c2Cn3nccc3-c3c(ccc(Br)c3)-n2cn1,XAZTXPDPPJQHKI,XAZTXPDPPJQHKI-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-14-7-19-13(4-5-17-19)11-6-10(15)2-3-12(11)18(14)8-16-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,8,7,16,4,18,2,14,10,11,9,3,15,19,6,17,5/rA:19CCCCNNCCCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-XAZTXPDPPJQHKI_on_P31644_WT,Low,ChEMBL30,CHEMBL576468,Cc1c2Cn3nccc3-c3c(ccc(Br)c3)-n2cn1,XAZTXPDPPJQHKI,XAZTXPDPPJQHKI-UHFFFAOYSA-N,"InChI=1S/C14H11BrN4/c1-9-14-7-19-13(4-5-17-19)11-6-10(15)2-3-12(11)18(14)8-16-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,13,12,8,7,16,4,18,2,14,10,11,9,3,15,19,6,17,5/rA:19CCCCNNCCCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-XBBUCIGUYRSUSC_on_P41594_WT,High,ChEMBL30,CHEMBL3644369,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,XBBUCIGUYRSUSC,XBBUCIGUYRSUSC-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2S/c1-28-10-14-9-25(12-23-14)20-7-19-17-4-2-3-16(18-11-29-13-24-18)15(17)5-6-26(19)21(27)8-22-20/h2-4,7,9,11-13H,5-6,8,10H2,1H3","""AuxInfo=1/0/N:1,18,19,17,14,13,27,9,5,3,22,28,24,4,15,20,16,21,26,7,10,8,29,25,6,12,11,2,23/rA:29COCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;s23;s21d24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-XBBUCIGUYRSUSC_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644369,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1,XBBUCIGUYRSUSC,XBBUCIGUYRSUSC-UHFFFAOYSA-N,"InChI=1S/C21H19N5O2S/c1-28-10-14-9-25(12-23-14)20-7-19-17-4-2-3-16(18-11-29-13-24-18)15(17)5-6-26(19)21(27)8-22-20/h2-4,7,9,11-13H,5-6,8,10H2,1H3","""AuxInfo=1/0/N:1,18,19,17,14,13,27,9,5,3,22,28,24,4,15,20,16,21,26,7,10,8,29,25,6,12,11,2,23/rA:29COCCCNCNCCONCCCCCCCCCCSCNCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;s23;s21d24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XBIBNQLAEQMOEI_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71657122;CHEMBL2431422,CC(=O)Nc1nc2c(CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)s1,XBIBNQLAEQMOEI,XBIBNQLAEQMOEI-UHFFFAOYSA-N,"InChI=1S/C27H26FN5O2S/c1-17-14-20(8-9-21(17)28)23-15-33(26(30-23)19-6-4-3-5-7-19)16-25(35)32-12-10-22-24(11-13-32)36-27(31-22)29-18(2)34/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,31,34)","""AuxInfo=1/1/N:24,1,31,30,32,29,33,19,20,35,9,34,10,25,16,14,23,2,28,18,21,7,17,8,12,27,5,22,4,26,6,11,15,3,13,36/E:(4,5)(6,7)/rA:36CCONCNCCCCNCOCNCCCCCCFCCCNCCCCCCCCCS/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;s19;d20;s21;s21;s23;s18d23;s17;s15d26;s27;d28;s29;d30;s31;s28d32;s11;s7s34;s5s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:772427;CHEMBL2433294,PMID:24900753,2013.0,PubChemAID:772427;PMID:24900753,2014;2013,0,0;1,0,0,1;0,,=,  6.114;  6.110,6.112,0.002,0.002,2.0,6.112,0.002
-XBKGMJNNALFSAJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3798234,Nc1c(C(=O)Nc2cc(Cl)c(N3C(=O)c4c(cccc4)C3=O)cc2)nccc1,XBKGMJNNALFSAJ,XBKGMJNNALFSAJ-UHFFFAOYSA-N,"InChI=1S/C20H13ClN4O3/c21-14-10-11(24-18(26)17-15(22)6-3-9-23-17)7-8-16(14)25-19(27)12-4-1-2-5-13(12)20(25)28/h1-10H,22H2,(H,24,26)","""AuxInfo=1/1/N:18,19,27,17,20,28,24,23,26,8,7,16,15,9,2,11,3,4,21,13,10,1,25,6,12,5,22,14/E:(1,2)(4,5)(12,13)(19,20)(27,28)/rA:28NCCCONCCCClCNCOCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  7.020; 10.020,8.52,1.5,1.5,2.0,8.52,1.5
-XBKXUTXPFVUGDA_on_P41594_WT,Medium,ChEMBL30,CHEMBL365083,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cnccc2)c1,XBKXUTXPFVUGDA,XBKXUTXPFVUGDA-UHFFFAOYSA-N,InChI=1S/C17H11FN6/c18-14-8-13(12-4-3-6-19-11-12)9-15(10-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H,"""AuxInfo=1/0/N:13,12,22,23,14,21,11,24,16,3,19,18,17,2,4,9,8,1,20,10,7,15,6,5/rA:24FCCCNNNCCNCCCCNCCCCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-XBLBEGLFURYCBO_on_Q05586_WT,Low,ChEMBL30,CHEMBL1198953,C[n+]1cc2c(cc1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1c[n+](C)cc2,XBLBEGLFURYCBO,XBLBEGLFURYCBO-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,6,37,15,23,7,36,3,33,8,30,5,31,9,25,4,32,2,34,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCN+CCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;s8d12;s4s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s34;s31d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL1105653;CHEMBL1105655;CHEMBL3608120,PMID:20361801,2010.0,PMID:26278660;PMID:20361801;PMID:20361801;PMID:26278660,2015;2010;2010;2015,1,0,0,0,0,,=,  5.540;  5.850;  5.540;  5.850,5.695,0.155,0.08900000000000001,4.0,5.695,0.155
-XBLBEGLFURYCBO_on_Q12879_WT,Low,ChEMBL30,CHEMBL1198953,C[n+]1cc2c(cc1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1c[n+](C)cc2,XBLBEGLFURYCBO,XBLBEGLFURYCBO-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,6,37,15,23,7,36,3,33,8,30,5,31,9,25,4,32,2,34,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCN+CCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;s8d12;s4s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s34;s31d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120;CHEMBL1105653,PMID:20361801,2010.0,PMID:26278660;PMID:20361801,2015;2010,1,0,0,0,0,,=,  5.850;  5.850,5.85,0.0,0.0,2.0,5.85,0.0
-XBLBEGLFURYCBO_on_Q13224_WT,Low,ChEMBL30,CHEMBL1198953,C[n+]1cc2c(cc1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1c[n+](C)cc2,XBLBEGLFURYCBO,XBLBEGLFURYCBO-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,6,37,15,23,7,36,3,33,8,30,5,31,9,25,4,32,2,34,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCN+CCC/rB:s1;d2;s3;d4;s5;s2d6;s5;d8;s9;d10;s11;s8d12;s4s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s34;s31d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655;CHEMBL3608122,PMID:20361801,2010.0,PMID:20361801;PMID:26278660,2010;2015,1,0,0,0,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-XBMDFRQPTGJXHL_on_P14867_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-XBMDFRQPTGJXHL_on_P18507_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.160;  5.750;  6.070,5.66,0.377,0.267,3.0,5.75,0.32
-XBMDFRQPTGJXHL_on_P28472_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.070;  5.160;  5.750,5.66,0.377,0.267,3.0,5.75,0.32
-XBMDFRQPTGJXHL_on_P31644_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681485,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-XBMDFRQPTGJXHL_on_P34903_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-XBMDFRQPTGJXHL_on_P47869_WT,Low,ChEMBL30,CHEMBL301010,COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1,XBMDFRQPTGJXHL,XBMDFRQPTGJXHL-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3","""AuxInfo=1/0/N:14,15,19,1,10,17,5,26,11,16,4,27,25,23,6,9,22,12,3,7,8,20,24,13,18,21,2/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:27COCCCCCCCCCCNCCCCNCCOCCNCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s8;s18;s18;d20;s20;s22;t23;s7d22;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-XBOMZYPAUTYJQT_on_P41594_WT,Medium,ChEMBL30,CHEMBL2171704,Cc1nccc(NC(=O)c2c(Nc3cccnc3)sc(C)n2)c1,XBOMZYPAUTYJQT,XBOMZYPAUTYJQT-UHFFFAOYSA-N,"InChI=1S/C16H15N5OS/c1-10-8-12(5-7-18-10)20-15(22)14-16(23-11(2)19-14)21-13-4-3-6-17-9-13/h3-9,21H,1-2H3,(H,18,20,22)","""AuxInfo=1/1/N:1,21,15,14,5,16,4,23,18,2,20,6,13,10,8,11,17,3,22,7,12,9,19/rA:23CCNCCCNCOCCNCCCCNCSCCNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;d15;s16;s13d17;s11;s19;s20;s10d20;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2173986,PMID:22533875,2012.0,PMID:22533875,2012,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-XBSIOFDNNTWSKV_on_P41594_WT,High,ChEMBL30,CHEMBL3605297,CC1c2c(CCN1C(=O)c1ccc(F)cc1)nc(COc1ccccc1)o2,XBSIOFDNNTWSKV,XBSIOFDNNTWSKV-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O3/c1-14-20-18(23-19(27-20)13-26-17-5-3-2-4-6-17)11-12-24(14)21(25)15-7-9-16(22)10-8-15/h2-10,14H,11-13H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,16,12,15,5,6,19,2,10,13,21,4,18,3,8,14,17,7,9,20,27/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCCCCNCOCCCCFCCNCCOCCCCCCO/rB:s1;s2;d3;s4;s5;s2s6;s7;d8;s8;d10;s11;d12;s13;s13;s10d15;s4;d17;s18;s19;s20;d21;s22;d23;s24;s21d25;s3s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-XBUOPRIADANPSX_on_Q14833_WT,High,ChEMBL30,CHEMBL4250214,Cc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2,XBUOPRIADANPSX,XBUOPRIADANPSX-UHFFFAOYSA-N,"InChI=1S/C15H14N6/c1-9-11-6-5-10(8-13(11)21(2)20-9)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,1-2H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,5,16,17,9,8,15,21,2,10,7,18,6,13,12,14,11,19,20,3,4/rA:21CCNNCCCCCCNCCNCCCCNNC/rB:s1;d2;s3;s4;s4;s2d6;s7;d8;s9;s10;s11;d12;s13;d14;s15;d16;s13s17;d18;s12s19;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-XBWJPFZNCGVCJM_on_P41594_WT,High,ChEMBL30,CHEMBL2440607,O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1,XBWJPFZNCGVCJM,XBWJPFZNCGVCJM-UHFFFAOYSA-N,"InChI=1S/C17H10F4N4O2/c18-12-3-10(4-13(6-12)27-14-7-22-9-23-8-14)16(26)25-15-5-11(1-2-24-15)17(19,20)21/h1-9H,(H,24,25,26)","""AuxInfo=1/1/N:11,12,15,27,5,18,22,26,24,14,6,16,19,21,4,2,7,17,8,9,10,23,25,13,3,1,20/E:(7,8)(19,20,21)(22,23)/rA:27OCNCCCCFFFCCNCCCFCCOCCNCNCC/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s4d12;s2;d14;s15;s16;d16;s18;s19;s20;d21;s22;d23;s24;s21d25;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-XBXOXHQNEMHVJF_on_P14867_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677036,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-XBXOXHQNEMHVJF_on_P18507_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682711;CHEMBL677036;CHEMBL680672;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.470;  7.400;  8.490;  7.460,7.705,0.45399999999999996,0.262,4.0,7.465,0.035
-XBXOXHQNEMHVJF_on_P28472_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677036;CHEMBL680672;CHEMBL682711;CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.400;  8.490;  7.470;  7.460,7.705,0.45399999999999996,0.262,4.0,7.465,0.035
-XBXOXHQNEMHVJF_on_P31644_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680672,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-XBXOXHQNEMHVJF_on_P34903_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680434,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-XBXOXHQNEMHVJF_on_P47869_WT,Low,ChEMBL30,CHEMBL98649,COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1,XBXOXHQNEMHVJF,XBXOXHQNEMHVJF-UHFFFAOYSA-N,"InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3","""AuxInfo=1/0/N:14,1,23,24,20,21,15,12,6,13,17,16,10,8,5,9,18,3,19,4,25,11,2,22,7,26/rA:26COCNCCSCCCOCCCCCCCNCCSCCNS/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s10;s12;s13;s13;s9s15;d16;s17;d18;s19;d20;s18s21;s17;s8d23;d5;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682711,PMID:15125950,2004.0,PMID:15125950,2004,0,0,0,1,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-XCCQHVJQOQPMOX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL485331,COc1ccc(-c2ccc(CN3CC(C)OC3=O)cc2)cc1,XCCQHVJQOQPMOX,XCCQHVJQOQPMOX-UHFFFAOYSA-N,"InChI=1S/C18H19NO3/c1-13-11-19(18(20)22-13)12-14-3-5-15(6-4-14)16-7-9-17(21-2)10-8-16/h3-10,13H,11-12H2,1-2H3","""AuxInfo=1/0/N:15,1,9,19,8,20,5,21,4,22,13,11,14,10,7,6,3,17,12,18,2,16/E:(3,4)(5,6)(7,8)(9,10)/rA:22COCCCCCCCCCNCCCOCOCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s14;s12s16;d17;s10;s7d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-XCFFISIRPNUQBM_on_Q14416_WT,High,ChEMBL30,CHEMBL3337503,CC(C)CCn1ccc(N2CCCC(c3ccccc3)C2)c(C#N)c1=O,XCFFISIRPNUQBM,XCFFISIRPNUQBM-UHFFFAOYSA-N,"InChI=1S/C22H27N3O/c1-17(2)10-13-24-14-11-21(20(15-23)22(24)26)25-12-6-9-19(16-25)18-7-4-3-5-8-18/h3-5,7-8,11,14,17,19H,6,9-10,12-13,16H2,1-2H3","""AuxInfo=1/0/N:1,3,18,17,19,12,16,20,13,4,8,11,5,7,23,21,2,15,14,22,9,25,24,6,10,26/E:(1,2)(4,5)(7,8)/rA:26CCCCCNCCCNCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10s14;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-XCFYTBDDSQDECE_on_Q05586_WT,Low,ChEMBL30,CHEMBL390305,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,XCFYTBDDSQDECE,XCFYTBDDSQDECE-UHFFFAOYSA-N,"InChI=1S/C23H33N5OS/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-19-9-1-3-11-21(19)30-22-12-4-2-10-20(22)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:22,28,21,29,7,8,3,12,23,27,20,30,2,6,9,4,11,13,18,26,19,25,15,1,5,10,14,17,16,24/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:30NCCCNCCCCNCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s17d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.460;  6.670,6.565,0.105,0.105,2.0,6.565,0.105
-XCFYTBDDSQDECE_on_Q12879_WT,Low,ChEMBL30,CHEMBL390305,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,XCFYTBDDSQDECE,XCFYTBDDSQDECE-UHFFFAOYSA-N,"InChI=1S/C23H33N5OS/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-19-9-1-3-11-21(19)30-22-12-4-2-10-20(22)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:22,28,21,29,7,8,3,12,23,27,20,30,2,6,9,4,11,13,18,26,19,25,15,1,5,10,14,17,16,24/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:30NCCCNCCCCNCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s17d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-XCFYTBDDSQDECE_on_Q13224_WT,Low,ChEMBL30,CHEMBL390305,NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2,XCFYTBDDSQDECE,XCFYTBDDSQDECE-UHFFFAOYSA-N,"InChI=1S/C23H33N5OS/c24-13-7-16-25-14-5-6-15-26-17-8-18-27-23(29)28-19-9-1-3-11-21(19)30-22-12-4-2-10-20(22)28/h1-4,9-12,25-26H,5-8,13-18,24H2,(H,27,29)","""AuxInfo=1/1/N:22,28,21,29,7,8,3,12,23,27,20,30,2,6,9,4,11,13,18,26,19,25,15,1,5,10,14,17,16,24/E:(1,2)(3,4)(9,10)(11,12)(19,20)(21,22)/rA:30NCCCNCCCCNCCCNCONCCCCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;s19;s24;s17d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-XCGKJWZMKCFLLB_on_Q14416_WT,High,ChEMBL30,CHEMBL1094415,COc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,XCGKJWZMKCFLLB,XCGKJWZMKCFLLB-UHFFFAOYSA-N,"InChI=1S/C17H17NO4/c1-20-14-8-5-9-15(10-14)21-12-16-11-18(17(19)22-16)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,15,21,12,16,22,20,4,9,7,11,3,5,8,17,10,18,2,6,19/E:(3,4)(6,7)/rA:22COCCCOCCCNCCCCCCCOOCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;d17;s8s17;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-XCHLXDQWONTODB_on_Q14416_WT,High,ChEMBL30,CHEMBL594334,N#Cc1c(-c2ccc(OCc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12,XCHLXDQWONTODB,XCHLXDQWONTODB-UHFFFAOYSA-N,"InChI=1S/C23H16F3N3O/c24-23(25,26)12-18-14-28-22-21(13-27)20(10-11-29(18)22)17-6-8-19(9-7-17)30-15-16-4-2-1-3-5-16/h1-11,14H,12,15H2","""AuxInfo=1/0/N:14,13,15,12,16,6,18,7,17,19,20,23,2,28,10,11,5,22,8,4,3,30,24,25,26,27,1,29,21,9/E:(2,3)(4,5)(6,7)(8,9)(24,25,26)/rA:30NCCCCCCCOCCCCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8;s5d17;s4;d19;s20;s21;s22;s23;s24;s24;s24;d22;s28;s3s21d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-XCIPELTVZBPBSP_on_P41594_WT,High,ChEMBL30,CHEMBL3929981,N#Cc1c(C2CC(F)(F)C2)c2c(nc1-c1ccccc1)[nH]nc2-c1cc(Cl)ccc1,XCIPELTVZBPBSP,XCIPELTVZBPBSP-UHFFFAOYSA-N,"InChI=1S/C23H15ClF2N4/c24-16-8-4-7-14(9-16)21-19-18(15-10-23(25,26)11-15)17(12-27)20(28-22(19)30-29-21)13-5-2-1-3-6-13/h1-9,15H,10-11H2,(H,28,29,30)","""AuxInfo=1/1/N:18,17,19,29,16,20,30,28,25,6,10,2,15,24,5,26,3,4,11,14,23,12,7,27,8,9,1,13,22,21/E:(2,3)(5,6)(10,11)(25,26)/rA:30NCCCCCCFFCCCNCCCCCCCNNCCCCClCCC/rB:t1;s2;d3;s4;s5;s6;s7;s7;s5s7;s4;d11;s12;s3d13;s14;d15;s16;d17;s18;s15d19;s12;s21;s11d22;s23;d24;s25;s26;d26;s28;s24d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-XCLHTQZCZPUZQA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109036,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)F,XCLHTQZCZPUZQA,XCLHTQZCZPUZQA-UHFFFAOYSA-N,"InChI=1S/C23H25F2N3O3/c1-13-9-17(10-14(2)26-13)21-18-7-8-30-15(3)12-28(18)22(27-21)16-5-6-19(31-23(24)25)20(11-16)29-4/h5-6,9-11,15,23H,7-8,12H2,1-4H3","""AuxInfo=1/0/N:12,15,22,1,25,26,18,19,10,16,4,23,11,14,21,5,9,17,27,3,8,6,29,30,31,13,7,24,2,20,28/E:(1,2)(9,10)(13,14)(24,25)/rA:31COCCCCNCCCCCNCCCCCCOCCCNCCCOCFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s21;s6s17s23;d5;s25;s3d26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.020,8.02,0.0,0.0,1.0,8.02,0.0
-XCMOYPMGWIKMQN_on_P41594_WT,High,ChEMBL30,CHEMBL3655647,CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Cl)c2)c1,XCMOYPMGWIKMQN,XCMOYPMGWIKMQN-UHFFFAOYSA-N,"InChI=1S/C18H15ClN4O/c1-23(16-6-3-8-20-12-16)15-7-9-21-17(11-15)22-18(24)13-4-2-5-14(19)10-13/h2-12H,1H3,(H,21,22,24)","""AuxInfo=1/1/N:1,19,5,18,20,4,10,6,11,23,24,8,17,21,9,3,13,15,22,7,12,14,2,16/rA:24CNCCCCNCCCCNCNCOCCCCCClCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;d9;s10;d11;s12;s13;s14;d15;s15;d17;s18;d19;s20;s21;s17d21;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.880,5.88,0.0,0.0,1.0,5.88,0.0
-XCNCICLVKMWDKK_on_P41594_WT,High,ChEMBL30,CHEMBL4068094,CC1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1,XCNCICLVKMWDKK,XCNCICLVKMWDKK-UHFFFAOYSA-N,"InChI=1S/C21H20Cl2N2O2S/c1-14-8-10-25(11-9-14)21-18-12-16(23)4-7-19(18)24-13-20(21)28(26,27)17-5-2-15(22)3-6-17/h2-7,12-14H,8-11H2,1H3","""AuxInfo=1/0/N:1,22,25,11,21,26,12,3,28,4,27,8,15,2,23,9,20,7,13,16,6,24,10,14,5,18,19,17/E:(2,3)(5,6)(8,9)(10,11)(26,27)/CRV:28.6/rA:28CCCCNCCCCClCCCNCCSOOCCCCClCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s9;d11;s7s12;d13;s14;s6d15;s16;d17;d17;s17;d20;s21;d22;s23;s23;s20d25;s5;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4053750,PMID:28390229,2017.0,PMID:28390229,2017,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-XCQHKCHLKVPNJP_on_O00591_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_O14764_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P14867_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P18505_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P18507_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P28472_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P31644_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P34903_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P41594_WT,High,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3412490;CHEMBL3412489,PMID:25565255,2015.0,PMID:25565255,2015,1;0,0,0,0;1,0,,=,  7.010;  7.500,7.255,0.245,0.245,2.0,7.255,0.245
-XCQHKCHLKVPNJP_on_P47869_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P47870_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P48169_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_P78334_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_Q16445_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCQHKCHLKVPNJP_on_Q99928_WT,Low,ChEMBL30,CHEMBL3410221,Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1,XCQHKCHLKVPNJP,XCQHKCHLKVPNJP-UHFFFAOYSA-N,"InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3","""AuxInfo=1/0/N:1,19,5,12,6,11,21,22,3,15,8,2,18,4,13,7,16,10,14,17,23,20,9/rA:23CCCCCCCCNCCCCFCCFCCNCCN/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s9;s18;s7d18;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3412491,PMID:25565255,2015.0,PMID:25565255,2015,0,0,0,1,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-XCUHXIOQUHNXIQ_on_P41594_WT,High,ChEMBL30,CHEMBL3603918,N#Cc1cc(Cl)cc(-c2cc(-n3cc(F)cn3)ncn2)c1,XCUHXIOQUHNXIQ,XCUHXIOQUHNXIQ-UHFFFAOYSA-N,"InChI=1S/C14H7ClFN5/c15-11-2-9(5-17)1-10(3-11)13-4-14(19-8-18-13)21-7-12(16)6-20-21/h1-4,6-8H","""AuxInfo=1/0/N:21,4,7,10,2,16,13,19,3,8,5,14,9,11,6,15,1,20,18,17,12/rA:21NCCCCClCCCCCNCCFCNNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;d13;s14;s14;s12d16;d11;s18;s9d19;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL4320878;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459;PMID:30807144;PMID:26225459,2015;2019;2015,1;1;0,0,0,0;0;1,0,,=,  7.100;  7.700;  7.700,7.5,0.28300000000000003,0.2,3.0,7.7,0.0
-XCUKSWOOUHNGEY_on_P41594_WT,High,ChEMBL30,CHEMBL198866,CCOc1c(Nc2nc(C)ccc2)nccc1C,XCUKSWOOUHNGEY,XCUKSWOOUHNGEY-UHFFFAOYSA-N,"InChI=1S/C14H17N3O/c1-4-18-13-10(2)8-9-15-14(13)17-12-7-5-6-11(3)16-12/h5-9H,4H2,1-3H3,(H,15,16,17)","""AuxInfo=1/1/N:1,18,10,2,12,11,13,16,15,17,9,7,4,5,14,8,6,3/rA:18CCOCCNCNCCCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;s5;d14;s15;s4d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL873552,PMID:16039855,2005.0,PMID:16039855,2005,1,0,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-XCVOOHGTUQHYAX_on_P41594_WT,High,ChEMBL30,CHEMBL208506,Cc1cc(-c2cccnc2)cc(OCc2cccc(Cl)c2)c1,XCVOOHGTUQHYAX,XCVOOHGTUQHYAX-UHFFFAOYSA-N,"InChI=1S/C19H16ClNO/c1-14-8-17(16-5-3-7-21-12-16)11-19(9-14)22-13-15-4-2-6-18(20)10-15/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,17,7,16,6,18,8,3,22,21,11,10,14,2,15,5,4,19,12,20,9,13/rA:22CCCCCCCCNCCCOCCCCCCClCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;d4;s11;s12;s13;s14;d15;s16;d17;s18;s19;s15d19;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-XCZACYJBBMAUSL_on_P14867_WT,Low,ChEMBL30,CHEMBL221404,O=[N+]([O-])c1cc(-c2c(C3CCNCC3)onc2O)ccc1,XCZACYJBBMAUSL,XCZACYJBBMAUSL-UHFFFAOYSA-N,"InChI=1S/C14H15N3O4/c18-14-12(10-2-1-3-11(8-10)17(19)20)13(21-16-14)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2,(H,16,18)","""AuxInfo=1/1/N:20,19,21,10,14,11,13,5,9,6,4,7,8,17,12,16,2,18,1,3,15/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21ON+O-CCCCCCCCNCCONCOCCC/rB:d1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;d6;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-XCZACYJBBMAUSL_on_P18507_WT,Low,ChEMBL30,CHEMBL221404,O=[N+]([O-])c1cc(-c2c(C3CCNCC3)onc2O)ccc1,XCZACYJBBMAUSL,XCZACYJBBMAUSL-UHFFFAOYSA-N,"InChI=1S/C14H15N3O4/c18-14-12(10-2-1-3-11(8-10)17(19)20)13(21-16-14)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2,(H,16,18)","""AuxInfo=1/1/N:20,19,21,10,14,11,13,5,9,6,4,7,8,17,12,16,2,18,1,3,15/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21ON+O-CCCCCCCCNCCONCOCCC/rB:d1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;d6;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-XCZACYJBBMAUSL_on_P28472_WT,Low,ChEMBL30,CHEMBL221404,O=[N+]([O-])c1cc(-c2c(C3CCNCC3)onc2O)ccc1,XCZACYJBBMAUSL,XCZACYJBBMAUSL-UHFFFAOYSA-N,"InChI=1S/C14H15N3O4/c18-14-12(10-2-1-3-11(8-10)17(19)20)13(21-16-14)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2,(H,16,18)","""AuxInfo=1/1/N:20,19,21,10,14,11,13,5,9,6,4,7,8,17,12,16,2,18,1,3,15/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21ON+O-CCCCCCCCNCCONCOCCC/rB:d1;s2;s2;d4;s5;s6;d7;s8;s9;s10;s11;s12;s9s13;s8;s15;s7d16;s17;d6;s19;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  6.860;  6.860,6.86,0.0,0.0,2.0,6.86,0.0
-XDEGXVBLHPSPBJ_on_O00591_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_O14764_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P14867_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P18505_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P18507_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P28472_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P31644_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P34903_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P47869_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P47870_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P48169_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_P78334_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDEGXVBLHPSPBJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL187911,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1,XDEGXVBLHPSPBJ,XDEGXVBLHPSPBJ-UHFFFAOYSA-N,"InChI=1S/C18H11Cl2F3N4S/c1-28-17-14(10-4-2-9(8-24)3-5-10)16(25)27(26-17)15-12(19)6-11(7-13(15)20)18(21,22)23/h2-7H,25H2,1H3","""AuxInfo=1/0/N:1,23,27,22,28,9,15,25,24,21,10,7,16,20,6,18,3,11,8,17,12,13,14,26,19,4,5,2/E:(2,3)(4,5)(6,7)(12,13)(19,20)(21,22,23)/rA:28CSCNNCCClCCCFFFCCClCNCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;d21;s22;d23;s24;t25;s24;s21d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XDGJAPOJCWYAQV_on_P14867_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-XDGJAPOJCWYAQV_on_P18507_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.800;  8.550;  9.000;  8.540,8.722999999999999,0.191,0.11,4.0,8.675,0.13
-XDGJAPOJCWYAQV_on_P28472_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.800;  9.000;  8.550;  8.540,8.722999999999999,0.191,0.11,4.0,8.675,0.13
-XDGJAPOJCWYAQV_on_P31644_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-XDGJAPOJCWYAQV_on_P34903_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.550,8.55,0.0,0.0,1.0,8.55,0.0
-XDGJAPOJCWYAQV_on_P47869_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-XDGJAPOJCWYAQV_on_Q16445_WT,Low,ChEMBL30,CHEMBL173329,CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC,XDGJAPOJCWYAQV,XDGJAPOJCWYAQV-UHFFFAOYSA-N,"InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3","""AuxInfo=1/0/N:22,1,16,21,2,17,18,13,8,14,20,12,11,9,19,6,4,7,10,5,15,3/rA:22CCOCOCNCCNCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s14;s11d17;s9s12;s6d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XDGUYOFWWFFLND_on_P41594_WT,High,ChEMBL30,CHEMBL207703,Cc1nc(OCc2cccc(Cl)c2)cc(C#N)c1,XDGUYOFWWFFLND,XDGUYOFWWFFLND-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3","""AuxInfo=1/0/N:1,9,8,10,18,13,14,16,6,2,7,15,11,4,12,17,3,5/rA:18CCNCOCCCCCCClCCCCNC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s15;t16;s2d15;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880;CHEMBL860999,PMID:16439120,2006.0,PMID:16439120,2006,0;1,0,0,1;0,0,,=,  9.000;  8.050,8.525,0.475,0.475,2.0,8.525,0.475
-XDITXAVXUYECFF_on_Q14833_WT,High,ChEMBL30,CHEMBL4251433,Cn1nc(C2(C)CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2,XDITXAVXUYECFF,XDITXAVXUYECFF-UHFFFAOYSA-N,"InChI=1S/C18H18N6/c1-18(7-8-18)15-12-6-5-11(10-14(12)24(2)23-15)20-17-13-4-3-9-19-16(13)21-22-17/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21,22)","""AuxInfo=1/1/N:6,1,17,16,23,24,7,8,18,11,12,9,15,10,4,20,14,5,19,13,21,22,3,2/E:(7,8)/rA:24CNNCCCCCCCCCNCCCCCNCNNCC/rB:s1;s2;d3;s4;s5;s5;s5s7;s4;s2d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-XDKQWNNOKZKCIU_on_Q14416_WT,High,ChEMBL30,CHEMBL2179311,COCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12,XDKQWNNOKZKCIU,XDKQWNNOKZKCIU-UHFFFAOYSA-N,"InChI=1S/C20H21N5O/c1-26-14-19-22-23-20-17(13-21)18(9-12-25(19)20)24-10-7-16(8-11-24)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,14,22,24,13,23,25,9,3,16,15,8,11,4,7,10,5,6,12,26,2/E:(3,4)(5,6)(7,8)(10,11)/rA:26COCCNNCCCNCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s7;s8;t9;d8;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;s12s22;s11;d24;s4s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  6.330,6.33,0.0,0.0,1.0,6.33,0.0
-XDKXTQKWFPCIMO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44442424;CHEMBL248052,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCC1,XDKXTQKWFPCIMO,XDKXTQKWFPCIMO-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c1-13-19-16-15(12-18-21(16)14-8-4-2-5-9-14)17(23)22(13)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,12,21,11,13,20,22,10,14,19,23,6,2,9,5,4,15,7,3,18,8,17,16/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCNCCCNNCCCCCCCONNCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:308216;CHEMBL888252,PMID:17532216,2007.0,PubChemAID:308216;PMID:17532216,2010;2007,0;1,0,0,0,1;0,,=,  5.553;  5.550,5.551,0.002,0.002,2.0,5.551,0.002
-XDKXTQKWFPCIMO_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,44442424;CHEMBL248052,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCC1,XDKXTQKWFPCIMO,XDKXTQKWFPCIMO-UHFFFAOYSA-N,"InChI=1S/C17H19N5O/c1-13-19-16-15(12-18-21(16)14-8-4-2-5-9-14)17(23)22(13)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,12,21,11,13,20,22,10,14,19,23,6,2,9,5,4,15,7,3,18,8,17,16/E:(4,5)(6,7)(8,9)(10,11)/rA:23CCNCCCNNCCCCCCCONNCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:308215;CHEMBL888251,PMID:17532216,2007.0,PubChemAID:308215;PMID:17532216,2010;2007,0;1,0,0,0,1;0,,=,  7.041;  7.040,7.04,0.0,0.0,2.0,7.04,0.001
-XDLCTINGQHGIIW_on_P41594_WT,High,ChEMBL30,CHEMBL3702426,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncnc4)C3=C2)cn1,XDLCTINGQHGIIW,XDLCTINGQHGIIW-UHFFFAOYSA-N,"InChI=1S/C21H18N6O/c1-14-11-26(13-25-14)20-7-19-18-4-2-3-16(15-8-22-12-23-9-15)17(18)5-6-27(19)21(28)10-24-20/h2-4,7-9,11-13H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,26,20,24,7,3,22,27,2,19,18,13,14,25,5,8,21,23,6,28,4,10,9/E:(8,9)(22,23)/rA:28CCCNCNCCONCCCCCCCCCCNCNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-XDLCTINGQHGIIW_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702426,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncnc4)C3=C2)cn1,XDLCTINGQHGIIW,XDLCTINGQHGIIW-UHFFFAOYSA-N,"InChI=1S/C21H18N6O/c1-14-11-26(13-25-14)20-7-19-18-4-2-3-16(15-8-22-12-23-9-15)17(18)5-6-27(19)21(28)10-24-20/h2-4,7-9,11-13H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,11,26,20,24,7,3,22,27,2,19,18,13,14,25,5,8,21,23,6,28,4,10,9/E:(8,9)(22,23)/rA:28CCCNCNCCONCCCCCCCCCCNCNCCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XDMOVRKAINVBDT_on_P18507_WT,Low,ChEMBL30,CHEMBL567242,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(ccc(F)c3)-n2cn1,XDMOVRKAINVBDT,XDMOVRKAINVBDT-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-4-27-20(26)18-16-7-12-9-22-19(11(2)3)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,4,7H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(2,3)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-XDMOVRKAINVBDT_on_P28472_WT,Low,ChEMBL30,CHEMBL567242,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(ccc(F)c3)-n2cn1,XDMOVRKAINVBDT,XDMOVRKAINVBDT-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-4-27-20(26)18-16-7-12-9-22-19(11(2)3)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,4,7H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(2,3)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-XDMOVRKAINVBDT_on_P31644_WT,Low,ChEMBL30,CHEMBL567242,CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(ccc(F)c3)-n2cn1,XDMOVRKAINVBDT,XDMOVRKAINVBDT-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-4-27-20(26)18-16-7-12-9-22-19(11(2)3)24-17(12)14-8-13(21)5-6-15(14)25(16)10-23-18/h5-6,8-11H,4,7H2,1-3H3","""AuxInfo=1/0/N:1,14,15,2,21,20,8,24,17,26,13,9,22,18,19,7,10,6,12,4,23,16,27,11,25,5,3/E:(2,3)/rA:27CCOCOCCCCCNCCCCNCCCCCCFCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s13;s13;s12;s9d16;s10;d18;s19;d20;s21;s22;s18d22;s7s19;s25;s6d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.950,7.95,0.0,0.0,1.0,7.95,0.0
-XDQBEOSJZSBVGG_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44393020;CHEMBL181915,Cc1nc(C#Cc2ccccc2C)cs1,XDQBEOSJZSBVGG,XDQBEOSJZSBVGG-UHFFFAOYSA-N,"InChI=1S/C13H11NS/c1-10-5-3-4-6-12(10)7-8-13-9-15-11(2)14-13/h3-6,9H,1-2H3","""AuxInfo=1/0/N:13,1,10,9,11,8,6,5,14,12,2,7,4,3,15/rA:15CCNCCCCCCCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s7d11;s12;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242195;CHEMBL828431,PMID:15225713,2004.0,PubChemAID:242195;PMID:15225713,2010;2004,0;1,0,0,0,1;0,,=,  7.824;  7.820,7.822,0.002,0.002,2.0,7.822,0.002
-XDRYMKDFEDOLFX_on_Q05586_WT,Low,ChEMBL30,CHEMBL55,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,XDRYMKDFEDOLFX,XDRYMKDFEDOLFX-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:11,10,12,5,25,17,22,6,24,16,23,9,13,4,18,7,15,2,19,1,3,20,21,8,14/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCOCCCCCOCCCCCNNCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s19;s18;s15d22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3242673,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-XDRYMKDFEDOLFX_on_Q12879_WT,Low,ChEMBL30,CHEMBL55,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,XDRYMKDFEDOLFX,XDRYMKDFEDOLFX-UHFFFAOYSA-N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)","""AuxInfo=1/1/N:11,10,12,5,25,17,22,6,24,16,23,9,13,4,18,7,15,2,19,1,3,20,21,8,14/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)(20,21,22,23)(24,25)/gE:(1,2)/rA:25NCNCCCCOCCCCCOCCCCCNNCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;d19;s19;s18;s15d22;s7;s4d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3242673,PMID:24630693,2014.0,PMID:24630693,2014,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-XDTJVJUQXMJOQA_on_Q14416_WT,High,ChEMBL30,CHEMBL596270,Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1cccc2,XDTJVJUQXMJOQA,XDTJVJUQXMJOQA-UHFFFAOYSA-N,"InChI=1S/C19H21FN4/c1-22-18-9-5-3-7-16(18)21-19(22)14-23-10-12-24(13-11-23)17-8-4-2-6-15(17)20/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,12,23,11,22,13,24,10,21,6,17,7,16,4,14,19,9,20,3,15,18,2,5,8/E:(10,11)(12,13)/rA:24CNCCNCCNCCCCCCFCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s14;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.100;  5.200,5.65,0.45,0.45,2.0,5.65,0.45
-XDUPLYSGJVWGTM_on_P14867_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-XDUPLYSGJVWGTM_on_P18507_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682708;CHEMBL680431;CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  5.890;  7.720;  6.700,6.77,0.7490000000000001,0.529,3.0,6.7,0.81
-XDUPLYSGJVWGTM_on_P28472_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680431;CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.720;  5.890,6.805,0.915,0.915,2.0,6.805,0.915
-XDUPLYSGJVWGTM_on_P34903_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-XDUPLYSGJVWGTM_on_P47869_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-XDUPLYSGJVWGTM_on_P47870_WT,Low,ChEMBL30,CHEMBL31796,O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12,XDUPLYSGJVWGTM,XDUPLYSGJVWGTM-UHFFFAOYSA-N,"InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2","""AuxInfo=1/0/N:10,11,20,19,9,12,21,18,15,13,6,8,7,22,14,17,2,3,16,5,1,4/E:(1,2)(5,6)(10,11)(12,13)/rA:22OCCONCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s7d11;s5s8;s2;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-XDYDWEDQQRELFI_on_Q14416_WT,High,ChEMBL30,CHEMBL1669396,CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccccc4)cc3)c2)c1=O,XDYDWEDQQRELFI,XDYDWEDQQRELFI-UHFFFAOYSA-N,"InChI=1S/C24H20ClNO2/c1-2-13-26-14-12-18-15-19(16-22(25)23(18)24(26)27)17-8-10-21(11-9-17)28-20-6-4-3-5-7-20/h3-12,14-16H,2,13H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,19,23,14,25,15,24,6,3,5,26,11,13,7,12,18,16,9,8,27,10,4,28,17/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCCNCCCCCClCCCCCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;s7d12;s4s8;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-XDZFHMNHWHUANI_on_Q14416_WT,High,ChEMBL30,CHEMBL2206444,COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)ccc(F)c1F,XDZFHMNHWHUANI,XDZFHMNHWHUANI-UHFFFAOYSA-N,"InChI=1S/C22H23ClF2N4O/c1-30-21-15(4-5-16(24)20(21)25)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)19(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3","""AuxInfo=1/0/N:1,18,19,25,26,6,24,22,7,23,21,16,17,5,4,27,9,15,10,29,3,12,11,28,30,14,13,8,20,2/E:(2,3)(6,7)(9,10)/rA:30COCCCCCNCCClCNNCCCCCNCCCCCCCFCF/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17s18;s12s15;s20;s9d21;s8;s5s23;s4;d25;s26;s27;s3d27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-XEDZLCTZUWDCPR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115433,Cc1nn(C)c(C)c1-c1cc(C(N)=O)nc2cc(CN3CC(C)OC(C(F)(F)F)C3)ccc12,XEDZLCTZUWDCPR,XEDZLCTZUWDCPR-UHFFFAOYSA-N,"InChI=1S/C23H26F3N5O2/c1-12-9-31(11-20(33-12)23(24,25)26)10-15-5-6-16-17(21-13(2)29-30(4)14(21)3)8-19(22(27)32)28-18(16)7-15/h5-8,12,20H,9-11H2,1-4H3,(H2,27,32)","""AuxInfo=1/1/N:23,1,7,5,31,32,17,10,21,19,30,22,2,6,18,33,9,16,11,25,8,12,26,27,28,29,13,15,3,4,20,14,24/E:(24,25,26)/rA:33CCNNCCCCCCCCNONCCCCNCCCOCCFFFCCCC/rB:s1;d2;s3;s4;s4;s6;s2d6;s8;d9;s10;s11;s12;d12;d11;s15;d16;s17;s18;s19;s20;s21;s22;s22;s24;s25;s26;s26;s26;s20s25;d18;s31;s9s16d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-XEHQUSUNPCVWGP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115199,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1,XEHQUSUNPCVWGP,XEHQUSUNPCVWGP-UHFFFAOYSA-N,"InChI=1S/C23H20F4N4O2/c1-13-7-16(8-14(2)29-13)21-19-5-6-32-18(10-24)12-31(19)22(30-21)15-3-4-20(17(9-15)11-28)33-23(25,26)27/h3-4,7-9,18H,5-6,10,12H2,1-2H3","""AuxInfo=1/0/N:1,32,17,18,7,8,3,30,28,11,26,13,2,31,16,4,25,10,6,19,5,15,21,12,22,23,24,27,33,29,14,9,20/E:(1,2)(7,8)(13,14)(25,26,27)/rA:33CCCCCCCCOCCFCNCCCCCOCFFFCCNCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;t26;s16d25;s5d15;d4;s30;s31;s2d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.430,8.43,0.0,0.0,1.0,8.43,0.0
-XEJHLKHWRSNEOC_on_O00591_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_O14764_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P14867_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P18505_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P18507_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P28472_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P31644_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P34903_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P47869_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P47870_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P48169_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_P78334_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_Q16445_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJHLKHWRSNEOC_on_Q99928_WT,Low,ChEMBL30,CHEMBL77958,COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2,XEJHLKHWRSNEOC,XEJHLKHWRSNEOC-UHFFFAOYSA-N,"InChI=1S/C24H29N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12,14,25H2,1H3","""AuxInfo=1/0/N:1,7,8,26,29,30,27,6,4,3,22,10,16,24,12,19,23,11,9,17,15,14,21,28,25,13,20,5,18,2/rA:30COCCNCCCCCCCNCCCCNCNCCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s10;d11;s12;s13;s11d14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s24;d23;s26;s18s21d27;s17;s14d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.260,7.26,0.0,0.0,1.0,7.26,0.0
-XEJXHQIZSDVPSX_on_Q05586_WT,Low,ChEMBL30,CHEMBL161225,N=C(C=CC1CCCCC1)NCc1ccccc1,XEJXHQIZSDVPSX,XEJXHQIZSDVPSX-UHFFFAOYSA-N,"InChI=1S/C16H22N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s5s9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-XEJXHQIZSDVPSX_on_Q13224_WT,Low,ChEMBL30,CHEMBL161225,N=C(C=CC1CCCCC1)NCc1ccccc1,XEJXHQIZSDVPSX,XEJXHQIZSDVPSX-UHFFFAOYSA-N,"InChI=1S/C16H22N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,17,18)","""AuxInfo=1/1/N:8,16,7,9,15,17,6,10,14,18,4,3,12,5,13,2,1,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18NCCCCCCCCCNCCCCCCC/rB:d1;s2;w?3;s4;s5;s6;s7;s8;s5s9;s2;s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-XEKZQVZQOZRWEJ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,54587759;CHEMBL1779013,COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1,XEKZQVZQOZRWEJ,XEKZQVZQOZRWEJ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,21,22,20,7,8,23,25,4,13,15,11,14,10,5,9,19,3,17,6,12,24,16,18,2/rA:25COCCCFCCCCCNCCCNCOCCCCCNC/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:598080;CHEMBL1781194,PMID:21524576,2011.0,PubChemAID:598080;PMID:21524576,2012;2011,0;1,0,0,0,1;0,,=,  6.172;  6.170,6.171,0.001,0.001,2.0,6.171,0.001
-XEMDSKDWZPOTOR_on_Q14833_WT,High,ChEMBL30,CHEMBL1672242,Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ncccc2)cc1Cl,XEMDSKDWZPOTOR,XEMDSKDWZPOTOR-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O2/c1-13-6-2-3-7-15(13)19(25)24-17-10-9-14(12-16(17)21)23-20(26)18-8-4-5-11-22-18/h2-12H,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,4,5,22,21,3,6,23,13,12,20,24,2,14,7,25,11,18,8,16,26,19,15,10,9,17/rA:26CCCCCCCCONCCCCNCOCNCCCCCCCl/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s8;s10;d11;s12;d13;s14;s15;d16;s16;d18;s19;d20;s21;s18d22;s14;s11d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-XEOUHKRCFUTCQO_on_P41594_WT,High,ChEMBL30,CHEMBL2346712,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(C(F)(F)F)n1,XEOUHKRCFUTCQO,XEOUHKRCFUTCQO-UHFFFAOYSA-N,"InChI=1S/C18H14F4N4O/c1-10-15(25-26(2)16(10)11-6-8-12(19)9-7-11)17(27)24-14-5-3-4-13(23-14)18(20,21)22/h3-9H,1-2H3,(H,23,24,27)","""AuxInfo=1/1/N:1,12,20,21,19,5,10,6,9,2,4,7,22,18,14,3,15,23,8,24,25,26,27,17,13,11,16/E:(6,7)(8,9)(20,21,22)/rA:27CCCCCCCFCCNCNCCONCCCCCCFFFN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s22;s23;s23;s23;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-XERNGQWEFNQBQG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3800444,CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12,XERNGQWEFNQBQG,XERNGQWEFNQBQG-UHFFFAOYSA-N,"InChI=1S/C17H17FN4O2S/c1-3-19-16(24)15-10(2)25-17-21-13(8-14(23)22(15)17)9-20-12-6-4-11(18)5-7-12/h4-8,20H,3,9H2,1-2H3,(H,19,24)","""AuxInfo=1/1/N:1,8,2,17,20,16,21,22,13,7,18,15,12,23,6,4,10,19,3,14,11,25,24,5,9/E:(4,5)(6,7)/rA:25CCNCOCCCSCNCCNCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-XERNGQWEFNQBQG_on_Q12879_WT,Low,ChEMBL30,CHEMBL3800444,CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12,XERNGQWEFNQBQG,XERNGQWEFNQBQG-UHFFFAOYSA-N,"InChI=1S/C17H17FN4O2S/c1-3-19-16(24)15-10(2)25-17-21-13(8-14(23)22(15)17)9-20-12-6-4-11(18)5-7-12/h4-8,20H,3,9H2,1-2H3,(H,19,24)","""AuxInfo=1/1/N:1,8,2,17,20,16,21,22,13,7,18,15,12,23,6,4,10,19,3,14,11,25,24,5,9/E:(4,5)(6,7)/rA:25CCNCOCCCSCNCCNCCCCFCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;d12;s22;d23;s6s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.160,5.16,0.0,0.0,1.0,5.16,0.0
-XESADNWQZMVYOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL359575,Cc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1,XESADNWQZMVYOQ,XESADNWQZMVYOQ-UHFFFAOYSA-N,"InChI=1S/C19H14FN5/c1-13-6-2-3-7-17(13)14-10-15(20)12-16(11-14)25-23-19(22-24-25)18-8-4-5-9-21-18/h2-12H,1H3","""AuxInfo=1/0/N:1,24,23,18,17,25,22,19,16,5,21,8,2,4,6,9,3,14,13,7,15,12,20,11,10/rA:25CCCCCCFCCNNNCCNCCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;d6;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s10d13;s4d9;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-XETICWBKUKSDFH_on_O00591_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_O14764_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P14867_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P18505_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P18507_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P28472_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P31644_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P34903_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P47869_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P47870_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P48169_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_P78334_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_Q16445_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XETICWBKUKSDFH_on_Q99928_WT,Low,ChEMBL30,CHEMBL132060,N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1,XETICWBKUKSDFH,XETICWBKUKSDFH-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2S/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9/h1-5,7,13H,6H2,(H,15,17)","""AuxInfo=1/1/N:4,3,10,9,15,13,7,6,14,5,2,16,1,11,18,12,17,19,8/rA:19NCCCCCCSCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;s8;s6d9;d5;s2s11;s12;s13;d14;s15;s16;d16;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XEWFYEJVRWMXHA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL255402;44453141,CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(Cl)c3)c2c1,XEWFYEJVRWMXHA,XEWFYEJVRWMXHA-UHFFFAOYSA-N,"InChI=1S/C19H15ClN2O2/c1-3-24-19(23)15-10-18-17(21-13(2)11-22(18)12-15)8-7-14-5-4-6-16(20)9-14/h4-6,9-12H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,18,17,19,15,14,22,24,9,7,10,16,6,20,13,23,4,21,12,8,5,3/rA:24CCOCOCCNCCCNCCCCCCCCClCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;t14;s15;d16;s17;d18;s19;s20;s16d20;s8s13;s6d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.700;  7.700,7.7,0.0,0.0,2.0,7.7,0.0
-XEWUTRVIUVZVMS_on_Q14416_WT,High,ChEMBL30,CHEMBL4067421,CC(C)Nc1c(Cl)cc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1,XEWUTRVIUVZVMS,XEWUTRVIUVZVMS-UHFFFAOYSA-N,"InChI=1S/C20H20ClF3N4/c1-11(2)25-16-6-5-13(10-15(16)21)14-7-8-28-17(9-12-3-4-12)26-27-19(28)18(14)20(22,23)24/h5-8,10-12,25H,3-4,9H2,1-2H3","""AuxInfo=1/0/N:1,3,22,23,27,28,26,25,20,8,2,21,9,10,6,5,19,11,16,12,7,13,14,15,4,18,17,24/E:(1,2)(3,4)(22,23,24)/rA:28CCCNCCClCCCCCFFFCNNCCCCCNCCCC/rB:s1;s2;s2;s4;d5;s6;s6;d8;s9;d10;s11;s12;s12;s12;s11;d16;s17;d18;s19;s20;s21;s21s22;s16s19;s24;s10d25;s9;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040510;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;0;1,0;1;0,0,,=,  7.760;  8.410;  8.470,8.213,0.321,0.22699999999999998,3.0,8.41,0.06
-XEZJWBDPHNNDGW_on_Q14833_WT,High,ChEMBL30,CHEMBL3810364,O=C(Nc1cn(S(=O)(=O)C(F)c2ccccc2F)cc1)c1ccccn1,XEZJWBDPHNNDGW,XEZJWBDPHNNDGW-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S/c18-14-6-2-1-5-13(14)16(19)26(24,25)22-10-8-12(11-22)21-17(23)15-7-3-4-9-20-15/h1-11,16H,(H,21,23)","""AuxInfo=1/1/N:14,15,23,24,13,16,22,20,25,19,5,4,12,17,21,10,2,18,11,26,3,6,1,8,9,7/E:(24,25)/CRV:26.6/rA:26OCNCCNSOOCFCCCCCCFCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;s10;s10;d12;s13;d14;s15;s12d16;s17;s6;s4d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  5.990;  5.990,5.99,0.0,0.0,2.0,5.99,0.0
-XEZKKDWYZZCWQF_on_P41594_WT,Low,ChEMBL30,CHEMBL275788,CCCCCCNC(=O)NC1=NC(=O)CN1C,XEZKKDWYZZCWQF,XEZKKDWYZZCWQF-UHFFFAOYSA-N,"InChI=1S/C11H20N4O2/c1-3-4-5-6-7-12-11(17)14-10-13-9(16)8-15(10)2/h3-8H2,1-2H3,(H2,12,13,14,16,17)","""AuxInfo=1/1/N:1,17,2,3,4,5,6,15,13,11,8,7,12,10,16,14,9/rA:17CCCCCCNCONCNCOCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;w?11;s12;d13;s13;s11s15;s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XFBJZQIVKIQSON_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182166;11530877,Cc1c(OCCCCSc2ncccc2)ccc(C(=O)CC(C)C)c1O,XFBJZQIVKIQSON,XFBJZQIVKIQSON-UHFFFAOYSA-N,"InChI=1S/C21H27NO3S/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,6,7,15,17,16,12,5,8,21,22,2,18,19,3,10,25,11,20,26,4,9/E:(1,2)/rA:26CCCOCCCCSCNCCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s3;d16;s17;s18;d19;s19;s21;s22;s22;s2d18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721;PubChemAID:240156,PMID:15501058,2004.0,PMID:15501058;PubChemAID:240156,2004;2010,0,1;0,0,0,0;1,,=,  5.820;  5.815,5.818,0.003,0.003,2.0,5.818,0.002
-XFDZWDLPGVQUIX_on_P14867_WT,Low,ChEMBL30,CHEMBL179555,c1ccc(-c2nnc3c4c(c(CNc5ncccc5)nn23)C2CCC4CC2)cc1,XFDZWDLPGVQUIX,XFDZWDLPGVQUIX-UHFFFAOYSA-N,"InChI=1S/C23H22N6/c1-2-6-17(7-3-1)22-26-27-23-21-16-11-9-15(10-12-16)20(21)18(28-29(22)23)14-25-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2,(H,24,25)","""AuxInfo=1/1/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,13,6,7,20,21/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCNCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XFDZWDLPGVQUIX_on_P31644_WT,Low,ChEMBL30,CHEMBL179555,c1ccc(-c2nnc3c4c(c(CNc5ncccc5)nn23)C2CCC4CC2)cc1,XFDZWDLPGVQUIX,XFDZWDLPGVQUIX-UHFFFAOYSA-N,"InChI=1S/C23H22N6/c1-2-6-17(7-3-1)22-26-27-23-21-16-11-9-15(10-12-16)20(21)18(28-29(22)23)14-25-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2,(H,24,25)","""AuxInfo=1/1/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,13,6,7,20,21/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCNCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XFDZWDLPGVQUIX_on_P34903_WT,Low,ChEMBL30,CHEMBL179555,c1ccc(-c2nnc3c4c(c(CNc5ncccc5)nn23)C2CCC4CC2)cc1,XFDZWDLPGVQUIX,XFDZWDLPGVQUIX-UHFFFAOYSA-N,"InChI=1S/C23H22N6/c1-2-6-17(7-3-1)22-26-27-23-21-16-11-9-15(10-12-16)20(21)18(28-29(22)23)14-25-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2,(H,24,25)","""AuxInfo=1/1/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,13,6,7,20,21/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCNCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XFDZWDLPGVQUIX_on_P47869_WT,Low,ChEMBL30,CHEMBL179555,c1ccc(-c2nnc3c4c(c(CNc5ncccc5)nn23)C2CCC4CC2)cc1,XFDZWDLPGVQUIX,XFDZWDLPGVQUIX-UHFFFAOYSA-N,"InChI=1S/C23H22N6/c1-2-6-17(7-3-1)22-26-27-23-21-16-11-9-15(10-12-16)20(21)18(28-29(22)23)14-25-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2,(H,24,25)","""AuxInfo=1/1/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,13,6,7,20,21/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCNCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XFECTYLSWQXLMX_on_Q05586_WT,Medium,ChEMBL30,CHEMBL435844,O=C(O)c1c(CN2CC(=O)N(c3ccc(F)cc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1,XFECTYLSWQXLMX,XFECTYLSWQXLMX-UHFFFAOYSA-N,"InChI=1S/C19H12Cl2FN3O4/c20-9-5-13(21)16-12(17(18(27)28)23-14(16)6-9)7-24-8-15(26)25(19(24)29)11-3-1-10(22)2-4-11/h1-6,23H,7-8H2,(H,27,28)","""AuxInfo=1/1/N:14,17,13,18,26,23,6,8,24,15,12,5,27,22,9,21,4,2,19,25,28,16,29,7,11,10,1,3,20/E:(1,2)(3,4)(27,28)/rA:29OCOCCCNCCONCCCCFCCCOCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s15;s12d17;s7s11;d19;s5;d21;s22;d23;s24;s24;s21d26;s27;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-XFENZAWQSSSCNV_on_P41594_WT,High,ChEMBL30,CHEMBL2365133,CNc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,XFENZAWQSSSCNV,XFENZAWQSSSCNV-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-9-15(12)21(29)25-22-19(17-5-4-6-18(23-2)24-17)20(27-30-22)13-7-8-16-14(10-13)11-28(3)26-16/h4-8,10-12,15H,9H2,1-3H3,(H,23,24)(H,25,29)","""AuxInfo=1/1/N:14,1,23,29,28,30,27,26,12,19,21,13,18,20,11,25,5,3,6,17,9,7,2,4,8,24,16,22,10,15/rA:30CNCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2344546,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-XFENZAWQSSSCNV_on_Q13255_WT,High,ChEMBL30,CHEMBL2365133,CNc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1,XFENZAWQSSSCNV,XFENZAWQSSSCNV-UHFFFAOYSA-N,"InChI=1S/C22H22N6OS/c1-12-9-15(12)21(29)25-22-19(17-5-4-6-18(23-2)24-17)20(27-30-22)13-7-8-16-14(10-13)11-28(3)26-16/h4-8,10-12,15H,9H2,1-3H3,(H,23,24)(H,25,29)","""AuxInfo=1/1/N:14,1,23,29,28,30,27,26,12,19,21,13,18,20,11,25,5,3,6,17,9,7,2,4,8,24,16,22,10,15/rA:30CNCNCCCNCOCCCCSNCCCCCNCNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s9;s11;s11s12;s13;s7;s15;s6d16;s17;d18;s19;d20;s21;s22;s22;s20d24;s25;s18d26;d5;s28;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2344545,PMID:23374867,2013.0,PMID:23374867,2013,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-XFHJPBFTVFUTGU_on_P14867_WT,Low,ChEMBL30,CHEMBL367051,CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2,XFHJPBFTVFUTGU,XFHJPBFTVFUTGU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-12-3-2-10(15)6-11(12)14(16-7-13(17)18)9-4-5-19-8-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,16,15,12,11,19,5,9,8,17,13,14,3,7,18,6,2,4,10/rA:19CNCOCNCCCSCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s10;s8d11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XFHJPBFTVFUTGU_on_P31644_WT,Low,ChEMBL30,CHEMBL367051,CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2,XFHJPBFTVFUTGU,XFHJPBFTVFUTGU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-12-3-2-10(15)6-11(12)14(16-7-13(17)18)9-4-5-19-8-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,16,15,12,11,19,5,9,8,17,13,14,3,7,18,6,2,4,10/rA:19CNCOCNCCCSCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s10;s8d11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XFHJPBFTVFUTGU_on_P34903_WT,Low,ChEMBL30,CHEMBL367051,CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2,XFHJPBFTVFUTGU,XFHJPBFTVFUTGU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-12-3-2-10(15)6-11(12)14(16-7-13(17)18)9-4-5-19-8-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,16,15,12,11,19,5,9,8,17,13,14,3,7,18,6,2,4,10/rA:19CNCOCNCCCSCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s10;s8d11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XFHJPBFTVFUTGU_on_P47869_WT,Low,ChEMBL30,CHEMBL367051,CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2,XFHJPBFTVFUTGU,XFHJPBFTVFUTGU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-12-3-2-10(15)6-11(12)14(16-7-13(17)18)9-4-5-19-8-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,16,15,12,11,19,5,9,8,17,13,14,3,7,18,6,2,4,10/rA:19CNCOCNCCCSCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s10;s8d11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XFHJPBFTVFUTGU_on_Q16445_WT,Low,ChEMBL30,CHEMBL367051,CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2,XFHJPBFTVFUTGU,XFHJPBFTVFUTGU-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2OS/c1-17-12-3-2-10(15)6-11(12)14(16-7-13(17)18)9-4-5-19-8-9/h2-6,8H,7H2,1H3","""AuxInfo=1/0/N:1,16,15,12,11,19,5,9,8,17,13,14,3,7,18,6,2,4,10/rA:19CNCOCNCCCSCCCCCCCClC/rB:s1;s2;d3;s3;s5;w?6;s7;d8;s9;s10;s8d11;s7;s2d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XFJPZYZCJVGULV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1257396;46932196,N#Cc1cc(N2CCn3nc(-c4ccccn4)nc3C2)cc(F)c1,XFJPZYZCJVGULV,XFJPZYZCJVGULV-UHFFFAOYSA-N,"InChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2","""AuxInfo=1/0/N:14,15,13,16,7,8,24,4,21,2,20,3,22,5,12,19,11,23,1,17,18,10,6,9/rA:24NCCCCNCCNNCCCCCCNNCCCCFC/rB:t1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;s6s19;d5;s21;s22;s3d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1259400;PubChemAID:516922,PMID:20809633,2010.0,PMID:20809633;PubChemAID:516922,2010;2011,1;0,0,0,0,0;1,,=,  6.460;  6.461,6.46,0.001,0.001,2.0,6.46,0.001
-XFQHPAXNKDYMOX_on_O15399_WT,Low,ChEMBL30,CHEMBL2333943,O=C(O)c1cc2c(ccc(Br)c2)oc1=O,XFQHPAXNKDYMOX,XFQHPAXNKDYMOX-UHFFFAOYSA-N,"InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)","""AuxInfo=1/1/N:9,8,12,5,6,10,4,7,2,14,11,1,3,15,13/E:(12,13)/rA:15OCOCCCCCCCBrCOCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s6d10;s7;s4s13;d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309007;CHEMBL4309028,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  3.371;  3.371,3.3710000000000004,0.0,0.0,2.0,3.3710000000000004,0.0
-XFQHPAXNKDYMOX_on_Q05586_WT,Low,ChEMBL30,CHEMBL2333943,O=C(O)c1cc2c(ccc(Br)c2)oc1=O,XFQHPAXNKDYMOX,XFQHPAXNKDYMOX-UHFFFAOYSA-N,"InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)","""AuxInfo=1/1/N:9,8,12,5,6,10,4,7,2,14,11,1,3,15,13/E:(12,13)/rA:15OCOCCCCCCCBrCOCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s6d10;s7;s4s13;d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4309027;CHEMBL4309026;CHEMBL4309025;CHEMBL4309028,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.170;  4.050;  4.720;  3.371,4.078,0.48,0.27699999999999997,4.0,4.11,0.335
-XFQHPAXNKDYMOX_on_Q12879_WT,High,ChEMBL30,CHEMBL2333943,O=C(O)c1cc2c(ccc(Br)c2)oc1=O,XFQHPAXNKDYMOX,XFQHPAXNKDYMOX-UHFFFAOYSA-N,"InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)","""AuxInfo=1/1/N:9,8,12,5,6,10,4,7,2,14,11,1,3,15,13/E:(12,13)/rA:15OCOCCCCCCCBrCOCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s6d10;s7;s4s13;d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309003,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.730,4.73,0.0,0.0,1.0,4.73,0.0
-XFQHPAXNKDYMOX_on_Q13224_WT,High,ChEMBL30,CHEMBL2333943,O=C(O)c1cc2c(ccc(Br)c2)oc1=O,XFQHPAXNKDYMOX,XFQHPAXNKDYMOX-UHFFFAOYSA-N,"InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)","""AuxInfo=1/1/N:9,8,12,5,6,10,4,7,2,14,11,1,3,15,13/E:(12,13)/rA:15OCOCCCCCCCBrCOCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s6d10;s7;s4s13;d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.050,4.05,0.0,0.0,1.0,4.05,0.0
-XFQHPAXNKDYMOX_on_Q14957_WT,High,ChEMBL30,CHEMBL2333943,O=C(O)c1cc2c(ccc(Br)c2)oc1=O,XFQHPAXNKDYMOX,XFQHPAXNKDYMOX-UHFFFAOYSA-N,"InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)","""AuxInfo=1/1/N:9,8,12,5,6,10,4,7,2,14,11,1,3,15,13/E:(12,13)/rA:15OCOCCCCCCCBrCOCO/rB:d1;s2;s2;d4;s5;d6;s7;d8;s9;s10;s6d10;s7;s4s13;d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309006,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.170,4.17,0.0,0.0,1.0,4.17,0.0
-XFQVMVDUBDTXHM_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3937846,COc1cccc(Nc2c3ncccc3n[nH]2)c1,XFQVMVDUBDTXHM,XFQVMVDUBDTXHM-UHFFFAOYSA-N,"InChI=1S/C13H12N4O/c1-18-10-5-2-4-9(8-10)15-13-12-11(16-17-13)6-3-7-14-12/h2-8H,1H3,(H2,15,16,17)","""AuxInfo=1/1/N:1,5,13,6,4,14,12,18,7,3,15,10,9,11,8,16,17,2/rA:18COCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-XFTREFXQAXHFIV_on_Q13255_WT,High,ChEMBL30,CHEMBL3628081,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccco1,XFTREFXQAXHFIV,XFTREFXQAXHFIV-UHFFFAOYSA-N,"InChI=1S/C19H11ClN2O4/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-10H,(H,21,23)","""AuxInfo=1/1/N:14,15,24,13,16,23,5,6,25,21,4,12,11,19,7,22,2,17,9,20,3,8,1,18,10,26/E:(1,2)(4,5)(12,13)(18,19)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  6.260;  6.260,6.26,0.0,0.0,2.0,6.26,0.0
-XFUAEWGHLXLENC_on_O00591_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_O14764_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P14867_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P18505_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P18507_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P28472_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P31644_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P34903_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P47869_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P47870_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P48169_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_P78334_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_Q16445_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFUAEWGHLXLENC_on_Q99928_WT,Low,ChEMBL30,CHEMBL88515,CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XFUAEWGHLXLENC,XFUAEWGHLXLENC-UHFFFAOYSA-N,"InChI=1S/C18H24S2/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h8-11,16-17H,5,12-13H2,1-4H3","""AuxInfo=1/0/N:1,14,15,16,2,3,4,6,20,7,19,11,17,5,8,12,9,13,10,18/E:(2,3,4)(8,9)(10,11)(12,13)(19,20)/rA:20CCCCCCCCCSCCCCCCCSCC/rB:s1;s2;t3;s4;d5;s6;d7;s8;s9;s10;s11;s12;s13;s13;s13;s12;s9s17;s8;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-XFWVQXSUWBUOEQ_on_Q14833_WT,High,ExCAPE-DB;ExCAPE-DB;ChEMBL30,46869945;56649125;CHEMBL1921959,O=C(Nc1ccc(N2C(=O)C3CCCCC3C2=O)c(Cl)c1)c1ccccn1,XFWVQXSUWBUOEQ,XFWVQXSUWBUOEQ-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O3/c21-15-11-12(23-18(25)16-7-3-4-10-22-16)8-9-17(15)24-19(26)13-5-1-2-6-14(13)20(24)27/h3-4,7-11,13-14H,1-2,5-6H2,(H,23,25)","""AuxInfo=1/1/N:13,14,24,25,12,15,23,5,6,26,21,4,11,16,19,22,7,2,9,17,20,27,3,8,1,10,18/E:(1,2)(5,6)(13,14)(19,20)(26,27)/rA:27OCNCCCCNCOCCCCCCCOCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s8s16;d17;s7;s19;s4d19;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197;PubChemAID:631408;CHEMBL1924926,PubChemAID:2197,2009.0,PubChemAID:2197;PubChemAID:631408;PMID:21966889,2009;2012;2011,0,0;0;1,0,0,1;1;0,,=,  6.576;  6.432;  6.430,6.479,0.068,0.048,3.0,6.432,0.002
-XFYDZMMMXYAZLT_on_P41594_WT,High,ChEMBL30,CHEMBL230852;CHEMBL230950;CHEMBL389555;CHEMBL231157,NC(C(=O)O)C1CC1S(=O)(=O)O,XFYDZMMMXYAZLT,XFYDZMMMXYAZLT-UHFFFAOYSA-N,"InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)","""AuxInfo=1/1/N:7,6,8,2,3,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/CRV:12.6/rA:12NCCOOCCCSOOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;d9;s9;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL895146,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  4.170;  4.260;  4.090;  4.310,4.207,0.084,0.049,4.0,4.215,0.07
-XFYDZMMMXYAZLT_on_Q13255_WT,High,ChEMBL30,CHEMBL389555;CHEMBL231157,NC(C(=O)O)C1CC1S(=O)(=O)O,XFYDZMMMXYAZLT,XFYDZMMMXYAZLT-UHFFFAOYSA-N,"InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)","""AuxInfo=1/1/N:7,6,8,2,3,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/CRV:12.6/rA:12NCCOOCCCSOOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;d9;s9;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL895144,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  4.110;  4.470,4.29,0.18,0.18,2.0,4.29,0.18
-XFYDZMMMXYAZLT_on_Q14416_WT,Low,ChEMBL30,CHEMBL231157,NC(C(=O)O)C1CC1S(=O)(=O)O,XFYDZMMMXYAZLT,XFYDZMMMXYAZLT-UHFFFAOYSA-N,"InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)","""AuxInfo=1/1/N:7,6,8,2,3,1,4,5,10,11,12,9/E:(7,8)(9,10,11)/CRV:12.6/rA:12NCCOOCCCSOOO/rB:s1;s2;d3;s3;s2;s6;s6s7;s8;d9;d9;s9;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL895145,PMID:17725337,2007.0,PMID:17725337,2007,0,0,0,1,0,,=,  3.629,3.6289999999999996,0.0,0.0,1.0,3.6289999999999996,0.0
-XGAKSPGMZGHDTM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,46887320;CHEMBL1098389,Cc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,XGAKSPGMZGHDTM,XGAKSPGMZGHDTM-UHFFFAOYSA-N,"InChI=1S/C17H17NO3/c1-13-7-9-15(10-8-13)20-12-16-11-18(17(19)21-16)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3","""AuxInfo=1/0/N:1,14,13,15,12,16,3,21,4,20,9,7,2,11,5,8,17,10,18,6,19/E:(3,4)(5,6)(7,8)(9,10)/rA:21CCCCCOCCCNCCCCCCCOOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s10;d17;s8s17;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:478890;CHEMBL1121265,PMID:20409708,2010.0,PubChemAID:478890;PMID:20409708,2010,0,0;1,0,0,1;0,,=,  6.180;  6.180,6.18,0.0,0.0,2.0,6.18,0.0
-XGCLZGDRPGKJGJ_on_P41594_WT,High,ChEMBL30,CHEMBL271274,Cc1cn2cc(C)nc(C#Cc3ccccc3)c2c1,XGCLZGDRPGKJGJ,XGCLZGDRPGKJGJ-UHFFFAOYSA-N,"InChI=1S/C17H14N2/c1-13-10-17-16(18-14(2)12-19(17)11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3","""AuxInfo=1/0/N:1,7,15,14,16,13,17,11,10,19,3,5,2,6,12,9,18,8,4/E:(4,5)(6,7)/rA:19CCCNCCCNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s4s9;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-XGCNTFVCUZKFNX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3962095,COC(=O)c1cncn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,XGCNTFVCUZKFNX,XGCNTFVCUZKFNX-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O3/c1-30-22(29)20-10-25-12-27(20)11-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13/h2-10,12H,11H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,12,17,22,18,21,13,30,23,6,10,8,11,16,19,14,15,29,24,5,25,3,20,26,7,28,9,27,4,2/E:(3,4)(5,6)/rA:30COCOCCNCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s9;s10;d11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;d15;s23;s24;s25;d25;d24;s14s28;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-XGEQEYJHZCAALH_on_P18507_WT,Low,ChEMBL30,CHEMBL1783254,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c(OC)cc1,XGEQEYJHZCAALH,XGEQEYJHZCAALH-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-12-9-13(10-12)24-22(27)21-19(23)16-6-4-5-15(20(16)25-26-21)17-11-14(28-2)7-8-18(17)29-3/h4-8,11-13H,9-10H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:20,1,27,8,7,9,29,28,18,21,4,19,17,3,6,10,5,25,11,24,13,14,12,16,23,22,15,2,26/E:(9,10)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s17s19;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-XGEQEYJHZCAALH_on_P28472_WT,Low,ChEMBL30,CHEMBL1783254,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c(OC)cc1,XGEQEYJHZCAALH,XGEQEYJHZCAALH-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-12-9-13(10-12)24-22(27)21-19(23)16-6-4-5-15(20(16)25-26-21)17-11-14(28-2)7-8-18(17)29-3/h4-8,11-13H,9-10H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:20,1,27,8,7,9,29,28,18,21,4,19,17,3,6,10,5,25,11,24,13,14,12,16,23,22,15,2,26/E:(9,10)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s17s19;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-XGEQEYJHZCAALH_on_P47869_WT,Low,ChEMBL30,CHEMBL1783254,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c(OC)cc1,XGEQEYJHZCAALH,XGEQEYJHZCAALH-UHFFFAOYSA-N,"InChI=1S/C22H24N4O3/c1-12-9-13(10-12)24-22(27)21-19(23)16-6-4-5-15(20(16)25-26-21)17-11-14(28-2)7-8-18(17)29-3/h4-8,11-13H,9-10H2,1-3H3,(H2,23,25)(H,24,27)","""AuxInfo=1/1/N:20,1,27,8,7,9,29,28,18,21,4,19,17,3,6,10,5,25,11,24,13,14,12,16,23,22,15,2,26/E:(9,10)/rA:29COCCCCCCCCCNCCONCCCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s17s19;d13;s22;s6s10d23;d5;s25;s26;s25;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-XGFAQRJQFAWNCN_on_Q14833_WT,High,ChEMBL30,CHEMBL4067271,ON=c1cc(-c2ncc3[nH]ccc3c2)oc2c1cccc2,XGFAQRJQFAWNCN,XGFAQRJQFAWNCN-UHFFFAOYSA-N,"InChI=1S/C16H11N3O2/c20-19-12-8-16(21-15-4-2-1-3-11(12)15)13-7-10-5-6-17-14(10)9-18-13/h1-9,17,20H","""AuxInfo=1/0/N:19,20,18,21,12,11,14,4,8,13,17,3,6,9,16,5,10,7,2,1,15/rA:21ONCCCCNCCNCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-XGFNUOLODHJIJQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628108,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1coc2ccccc12,XGFNUOLODHJIJQ,XGFNUOLODHJIJQ-UHFFFAOYSA-N,"InChI=1S/C23H13ClN2O4/c24-18-11-13(25-21(27)17-12-30-20-8-4-3-5-14(17)20)9-10-19(18)26-22(28)15-6-1-2-7-16(15)23(26)29/h1-12H,(H,25,27)","""AuxInfo=1/1/N:14,15,28,27,29,13,16,26,5,6,21,23,4,30,12,11,22,19,7,25,2,17,9,20,3,8,1,18,10,24/E:(1,2)(6,7)(15,16)(22,23)(28,29)/rA:30OCNCCCCNCOCCCCCCCOCClCCCOCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;d25;s26;d27;s28;s22s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-XGIFORDMJIUHIJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL227157;16736023,Cc1nc(C#Cc2cccc3ccccc23)nnc1,XGIFORDMJIUHIJ,XGIFORDMJIUHIJ-UHFFFAOYSA-N,"InChI=1S/C16H11N3/c1-12-11-17-19-16(18-12)10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,11H,1H3","""AuxInfo=1/0/N:1,13,14,9,12,10,8,15,6,5,19,2,11,7,16,4,18,3,17/rA:19CCNCCCCCCCCCCCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s7s11d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663;PubChemAID:291521,PMID:17569516,2007.0,PMID:17569516;PubChemAID:291521,2007;2010,1;0,0,0,0,0;1,,=,  5.050;  5.051,5.05,0.001,0.001,2.0,5.05,0.001
-XGIPCEFOHMGTTG_on_P31644_WT,High,ChEMBL30,CHEMBL3681601,O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,XGIPCEFOHMGTTG,XGIPCEFOHMGTTG-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c22-17-4-1-14(2-5-17)20-16(13-29-25-20)12-28-19-6-3-15(11-23-19)21(26)24-18-7-9-27-10-8-18/h1-6,11,13,18H,7-10,12H2,(H,24,26)","""AuxInfo=1/1/N:22,27,11,23,26,12,5,9,6,8,29,15,17,21,10,16,24,4,13,20,2,25,28,3,19,1,7,14,18/E:(1,2)(4,5)(7,8)(9,10)/rA:29OCNCCCOCCCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.970,7.97,0.0,0.0,1.0,7.97,0.0
-XGJIHYWVYWCEDD_on_Q14416_WT,High,ChEMBL30,CHEMBL1096080,CCCCCCC1CN(c2cc(S(C)(=O)=O)ccc2)C(=O)O1,XGJIHYWVYWCEDD,XGJIHYWVYWCEDD-UHFFFAOYSA-N,"InChI=1S/C16H23NO4S/c1-3-4-5-6-9-14-12-17(16(18)21-14)13-8-7-10-15(11-13)22(2,19)20/h7-8,10-11,14H,3-6,9,12H2,1-2H3","""AuxInfo=1/0/N:1,14,2,3,4,5,18,19,6,17,11,8,10,7,12,20,9,21,15,16,22,13/E:(19,20)/CRV:22.6/rA:22CCCCCCCCNCCCSCOOCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s13;d13;d13;d12;s17;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-XGJLRKVQXMSBJW_on_O00591_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_O14764_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P14867_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P18505_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P18507_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P28472_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P31644_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P34903_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P47869_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P47870_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P48169_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_P78334_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_Q16445_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGJLRKVQXMSBJW_on_Q99928_WT,Low,ChEMBL30,CHEMBL89834,COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1,XGJLRKVQXMSBJW,XGJLRKVQXMSBJW-UHFFFAOYSA-N,"InChI=1S/C18H22O2S2/c1-18(2,3)15-11-21-17(22-12-15)14-8-5-13(6-9-14)7-10-16(19)20-4/h5-6,8-9,15,17H,11-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,8,22,6,9,21,5,13,19,7,10,14,3,11,15,4,2,12,20/E:(1,2,3)(5,6)(8,9)(11,12)(21,22)/rA:22COCOCCCCCCCSCCCCCCCSCC/rB:s1;s2;d3;s3;t5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s15;s14;s11s19;s10;s7d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XGLHZTBDUXXHOM_on_P14867_WT,Low,ChEMBL30,CHEMBL1397886,ClC(=Cn1cncn1)c1c(Cl)cc(Cl)cc1,XGLHZTBDUXXHOM,XGLHZTBDUXXHOM-UHFFFAOYSA-N,InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H,"""AuxInfo=1/0/N:15,16,12,3,7,5,13,9,10,2,14,11,1,6,8,4/rA:16ClCCNCNCNCCClCCClCC/rB:s1;w?2;s3;s4;d5;s6;s4d7;s2;d9;s10;s10;d12;s13;s13;s9d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-XGLHZTBDUXXHOM_on_P18507_WT,Low,ChEMBL30,CHEMBL1397886,ClC(=Cn1cncn1)c1c(Cl)cc(Cl)cc1,XGLHZTBDUXXHOM,XGLHZTBDUXXHOM-UHFFFAOYSA-N,InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H,"""AuxInfo=1/0/N:15,16,12,3,7,5,13,9,10,2,14,11,1,6,8,4/rA:16ClCCNCNCNCCClCCClCC/rB:s1;w?2;s3;s4;d5;s6;s4d7;s2;d9;s10;s10;d12;s13;s13;s9d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-XGLHZTBDUXXHOM_on_P28472_WT,Low,ChEMBL30,CHEMBL1397886,ClC(=Cn1cncn1)c1c(Cl)cc(Cl)cc1,XGLHZTBDUXXHOM,XGLHZTBDUXXHOM-UHFFFAOYSA-N,InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H,"""AuxInfo=1/0/N:15,16,12,3,7,5,13,9,10,2,14,11,1,6,8,4/rA:16ClCCNCNCNCCClCCClCC/rB:s1;w?2;s3;s4;d5;s6;s4d7;s2;d9;s10;s10;d12;s13;s13;s9d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4310248,PMID:30289721,2018.0,PMID:30289721,2018,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-XGMPKZHPHLEVGE_on_P14867_WT,Low,ChEMBL30,CHEMBL383106,COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,XGMPKZHPHLEVGE,XGMPKZHPHLEVGE-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-4-2-3-8(18-11)9-7-17-12-19-10(13(14,15)16)5-6-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,5,6,4,18,19,9,7,8,13,3,11,14,15,16,17,10,21,12,20,2/E:(14,15,16)/rA:21COCCCCCCCNCNCCFFFCCNN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-XGMPKZHPHLEVGE_on_P18507_WT,Low,ChEMBL30,CHEMBL383106,COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,XGMPKZHPHLEVGE,XGMPKZHPHLEVGE-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-4-2-3-8(18-11)9-7-17-12-19-10(13(14,15)16)5-6-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,5,6,4,18,19,9,7,8,13,3,11,14,15,16,17,10,21,12,20,2/E:(14,15,16)/rA:21COCCCCCCCNCNCCFFFCCNN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.770;  8.920,8.845,0.075,0.075,2.0,8.845,0.075
-XGMPKZHPHLEVGE_on_P28472_WT,Low,ChEMBL30,CHEMBL383106,COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,XGMPKZHPHLEVGE,XGMPKZHPHLEVGE-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-4-2-3-8(18-11)9-7-17-12-19-10(13(14,15)16)5-6-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,5,6,4,18,19,9,7,8,13,3,11,14,15,16,17,10,21,12,20,2/E:(14,15,16)/rA:21COCCCCCCCNCNCCFFFCCNN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.920;  8.770,8.845,0.075,0.075,2.0,8.845,0.075
-XGMPKZHPHLEVGE_on_P34903_WT,Low,ChEMBL30,CHEMBL383106,COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1,XGMPKZHPHLEVGE,XGMPKZHPHLEVGE-UHFFFAOYSA-N,"InChI=1S/C13H9F3N4O/c1-21-11-4-2-3-8(18-11)9-7-17-12-19-10(13(14,15)16)5-6-20(9)12/h2-7H,1H3","""AuxInfo=1/0/N:1,5,6,4,18,19,9,7,8,13,3,11,14,15,16,17,10,21,12,20,2/E:(14,15,16)/rA:21COCCCCCCCNCNCCFFFCCNN/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s14;s14;s13;d18;s8s11s19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-XGOOJYHXXUKMSU_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL177586;10085578,CCc1c(C)nc2ccc(C(=O)Cc3ccccc3)cc2c1,XGOOJYHXXUKMSU,XGOOJYHXXUKMSU-UHFFFAOYSA-N,"InChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3","""AuxInfo=1/0/N:1,5,2,17,16,18,15,19,9,8,13,22,20,4,14,3,10,21,7,11,6,12/E:(5,6)(7,8)/rA:22CCCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d10;s7s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  7.290;  7.292,7.291,0.001,0.001,2.0,7.291,0.001
-XGOOSXFYCRTVGG_on_P41594_WT,High,ChEMBL30,CHEMBL246518,O=C(Nc1ccccc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1,XGOOSXFYCRTVGG,XGOOSXFYCRTVGG-UHFFFAOYSA-N,"InChI=1S/C21H15N3O3/c25-19(18-11-5-6-12-22-18)23-17-10-4-1-7-14(17)13-24-20(26)15-8-2-3-9-16(15)21(24)27/h1-12H,13H2,(H,23,25)","""AuxInfo=1/1/N:7,17,18,6,24,25,8,16,19,5,23,26,10,9,15,14,4,22,2,20,12,27,3,11,1,21,13/E:(2,3)(8,9)(15,16)(20,21)(26,27)/rA:27OCNCCCCCCCNCOCCCCCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194,PMID:17210250,2007.0,PMID:17210250,2007,0,1,0,0,0,,=,  4.860,4.86,0.0,0.0,1.0,4.86,0.0
-XGRIGCFCUJUCLL_on_P31644_WT,High,ChEMBL30,CHEMBL3676458,Cc1c(COc2ccc([N+](=O)[O-])cn2)c(-c2ccccc2)no1,XGRIGCFCUJUCLL,XGRIGCFCUJUCLL-UHFFFAOYSA-N,"InChI=1S/C16H13N3O4/c1-11-14(16(18-23-11)12-5-3-2-4-6-12)10-22-15-8-7-13(9-17-15)19(20)21/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,19,18,20,17,21,8,7,13,4,2,16,9,3,6,15,14,22,10,11,12,5,23/E:(3,4)(5,6)(20,21)/CRV:19.5/rA:23CCCCOCCCCN+OO-CNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s9;s6d13;s3;s15;d16;s17;d18;s19;s16d20;d15;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.650,7.65,0.0,0.0,1.0,7.65,0.0
-XGRYPRZRAAMMKM_on_P31644_WT,High,ChEMBL30,CHEMBL3681515,Cc1c(COc2ccc(C(=O)NCCC(C)O)cn2)c(-c2ccccc2)no1,XGRYPRZRAAMMKM,XGRYPRZRAAMMKM-UHFFFAOYSA-N,"InChI=1S/C21H23N3O4/c1-14(25)10-11-22-21(26)17-8-9-19(23-12-17)27-13-18-15(2)28-24-20(18)16-6-4-3-5-7-16/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,22,26)","""AuxInfo=1/1/N:16,1,24,23,25,22,26,8,7,14,13,18,4,15,2,21,9,3,6,20,10,12,19,27,17,11,5,28/E:(4,5)(6,7)/rA:28CCCCOCCCCCONCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s15;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-XGTKQLMKNUYJJN_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209664,N#Cc1ccc(C=Cc2nc(N)ncc2)cc1,XGTKQLMKNUYJJN,XGTKQLMKNUYJJN-UHFFFAOYSA-N,"InChI=1S/C13H10N4/c14-9-11-3-1-10(2-4-11)5-6-12-7-8-16-13(15)17-12/h1-8H,(H2,15,16,17)","""AuxInfo=1/1/N:5,16,4,17,7,8,15,14,2,6,3,9,11,1,12,13,10/E:(1,2)(3,4)/rA:17NCCCCCCCCNCNNCCCC/rB:t1;s2;d3;s4;d5;s6;w?7;s8;d9;s10;s11;d11;s13;s9d14;s6;s3d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-XGUYIUIDDDYQNH_on_Q13224_WT,High,ChEMBL30,CHEMBL429656,Cc1cc(CN2Cc3c(ccc(OC(F)(F)F)c3)C2=N)cc(C)c1,XGUYIUIDDDYQNH,XGUYIUIDDDYQNH-UHFFFAOYSA-N,"InChI=1S/C18H17F3N2O/c1-11-5-12(2)7-13(6-11)9-23-10-14-8-15(24-18(19,20)21)3-4-16(14)17(23)22/h3-8,22H,9-10H2,1-2H3","""AuxInfo=1/0/N:1,23,11,10,24,3,21,18,5,7,2,22,4,8,12,9,19,14,15,16,17,20,6,13/E:(1,2)(6,7)(11,12)(19,20,21)/rA:24CCCCCNCCCCCCOCFFFCCNCCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s14;s14;s8d12;s6s9;d19;d4;s21;s22;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887787;CHEMBL887786,PMID:17498948,2007.0,PMID:17498948,2007,1;0,0,0,0;1,0,,=,  7.410;  8.700,8.055,0.645,0.645,2.0,8.055,0.645
-XGWUUIBWCCASNG_on_P41594_WT,High,ChEMBL30,CHEMBL389655,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCC2)c1=O,XGWUUIBWCCASNG,XGWUUIBWCCASNG-UHFFFAOYSA-N,"InChI=1S/C17H20N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,8,14,16,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-XGWUUIBWCCASNG_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL389655;11695588,CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCC2)c1=O,XGWUUIBWCCASNG,XGWUUIBWCCASNG-UHFFFAOYSA-N,"InChI=1S/C17H20N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,8,14,16,4,5,12,11,6,22,7,13,2,15,23,10/E:(1,2)(4,5)(6,7)/rA:23CNCCCCNCCSCCNCNCCCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;s16;s17;s18;s19;s16s20;s11s15;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  7.300;  7.301,7.3,0.001,0.001,2.0,7.3,0.001
-XGXUZUYOYLJRAP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3908808,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OCC(F)(F)F)c3)n2)cc(C)n1,XGXUZUYOYLJRAP,XGXUZUYOYLJRAP-UHFFFAOYSA-N,"InChI=1S/C22H21ClF3N3O2/c1-13-9-16(10-14(2)27-13)20-18-5-7-30-8-6-29(18)21(28-20)15-3-4-17(23)19(11-15)31-12-22(24,25)26/h3-4,9-11H,5-8,12H2,1-2H3","""AuxInfo=1/0/N:1,30,15,16,7,11,8,10,3,28,26,21,2,29,14,4,17,6,19,5,13,22,18,23,24,25,31,27,12,9,20/E:(1,2)(9,10)(13,14)(24,25,26)/rA:31CCCCCCCCOCCNCCCCCClCOCCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s22;s22;s22;s14d19;s5d13;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.860,7.86,0.0,0.0,1.0,7.86,0.0
-XHBZYLUDOIQPFQ_on_O00222_WT,High,ChEMBL30,CHEMBL2381640,NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21,XHBZYLUDOIQPFQ,XHBZYLUDOIQPFQ-UHFFFAOYSA-N,"InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL2382523,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  5.180,5.18,0.0,0.0,1.0,5.18,0.0
-XHBZYLUDOIQPFQ_on_O15303_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2381640;9794208,NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21,XHBZYLUDOIQPFQ,XHBZYLUDOIQPFQ-UHFFFAOYSA-N,"InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382644;PubChemAID:748161,PMID:23675965,2013.0,PMID:23675965;PubChemAID:748161,2013;2014,1;0,0,0,0,0;1,,=,  5.860;  5.860,5.86,0.0,0.0,2.0,5.86,0.0
-XHBZYLUDOIQPFQ_on_Q14416_WT,High,ChEMBL30,CHEMBL2381640,NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21,XHBZYLUDOIQPFQ,XHBZYLUDOIQPFQ-UHFFFAOYSA-N,"InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2383450,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  9.800,9.8,0.0,0.0,1.0,9.8,0.0
-XHBZYLUDOIQPFQ_on_Q14832_WT,High,ChEMBL30,CHEMBL2381640,NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21,XHBZYLUDOIQPFQ,XHBZYLUDOIQPFQ-UHFFFAOYSA-N,"InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2383344,PMID:23675965,2013.0,PMID:23675965,2013,0,1,0,0,0,,=,  9.960,9.96,0.0,0.0,1.0,9.96,0.0
-XHCCKQJTDGEMHT_on_P18507_WT,Low,ChEMBL30,CHEMBL565345,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(O)c3)-n2cn1,XHCCKQJTDGEMHT,XHCCKQJTDGEMHT-UHFFFAOYSA-N,"InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,19,5,3/rA:23CCOCOCCCNCNNCCCCCCOCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XHCCKQJTDGEMHT_on_P28472_WT,Low,ChEMBL30,CHEMBL565345,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(O)c3)-n2cn1,XHCCKQJTDGEMHT,XHCCKQJTDGEMHT-UHFFFAOYSA-N,"InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,19,5,3/rA:23CCOCOCCCNCNNCCCCCCOCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XHCCKQJTDGEMHT_on_P31644_WT,Low,ChEMBL30,CHEMBL565345,CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(O)c3)-n2cn1,XHCCKQJTDGEMHT,XHCCKQJTDGEMHT-UHFFFAOYSA-N,"InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,20,8,22,10,18,14,15,7,6,13,4,23,11,12,9,21,19,5,3/rA:23CCOCOCCCNCNNCCCCCCOCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s9d12;s13;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XHHLDXFTATUVFA_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL338282;44348706,NC(CCc1ccc(F)cc1)(C(=O)O)C1CC1C(=O)O,XHHLDXFTATUVFA,XHHLDXFTATUVFA-UHFFFAOYSA-N,"InChI=1S/C14H16FNO4/c15-9-3-1-8(2-4-9)5-6-14(16,13(19)20)11-7-10(11)12(17)18/h1-4,10-11H,5-7,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:6,11,7,10,4,3,16,5,8,17,15,18,12,2,9,1,19,20,13,14/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCCCCCCFCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717203;PubChemAID:108816,PMID:9464367,1998.0,PMID:9464367;PubChemAID:108816,1998;2010,1;0,0,0,0,0;1,,=,  6.750;  6.745,6.747999999999999,0.003,0.003,2.0,6.747999999999999,0.002
-XHHLDXFTATUVFA_on_Q14832_WT,High,ChEMBL30,CHEMBL338282,NC(CCc1ccc(F)cc1)(C(=O)O)C1CC1C(=O)O,XHHLDXFTATUVFA,XHHLDXFTATUVFA-UHFFFAOYSA-N,"InChI=1S/C14H16FNO4/c15-9-3-1-8(2-4-9)5-6-14(16,13(19)20)11-7-10(11)12(17)18/h1-4,10-11H,5-7,16H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:6,11,7,10,4,3,16,5,8,17,15,18,12,2,9,1,19,20,13,14/E:(1,2)(3,4)(17,18)(19,20)/rA:20NCCCCCCCFCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;s2;s15;s15s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718350,PMID:9464367,1998.0,PMID:9464367,1998,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-XHNSDIUJFXJZTD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3894156,CC(C)(C)OC(=O)N(Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1)C(=O)OC(C)(C)C,XHNSDIUJFXJZTD,XHNSDIUJFXJZTD-UHFFFAOYSA-N,"InChI=1S/C27H30FN3O5/c1-26(2,3)35-24(33)31(25(34)36-27(4,5)6)15-16-7-12-19-20(17-8-10-18(28)11-9-17)14-22(23(29)32)30-21(19)13-16/h7-14H,15H2,1-6H3,(H2,29,32)","""AuxInfo=1/1/N:1,3,4,34,35,36,11,16,21,17,20,12,29,22,9,10,15,18,13,14,28,23,24,6,30,2,33,19,25,27,8,26,7,31,5,32/E:(1,2,3,4,5,6)(8,9)(10,11)(24,25)(26,27)(33,34)(35,36)/rA:36CCCCOCONCCCCCCCCCCFCCCCCNONCCCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s8;d30;s30;s32;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-XHPHORVTVJLGEM_on_P41594_WT,High,ChEMBL30,CHEMBL3644387,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,XHPHORVTVJLGEM,XHPHORVTVJLGEM-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3,5-6,11,13-14,20H,2,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,2,17,22,16,18,21,13,12,23,26,8,4,27,3,14,15,19,25,20,6,9,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-XHPHORVTVJLGEM_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644387,CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,XHPHORVTVJLGEM,XHPHORVTVJLGEM-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3,5-6,11,13-14,20H,2,4,7-10,12H2,1H3","""AuxInfo=1/0/N:1,2,17,22,16,18,21,13,12,23,26,8,4,27,3,14,15,19,25,20,6,9,7,28,5,11,10,24/rA:28CCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s20s23;s11s15;s6w?25;s5;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-XHTXFNBZNWDFBM_on_P14867_WT,High,ChEMBL30,CHEMBL483019,CC(c1ccccc1)n1cncc1C(=O)N=[N+]=[N-],XHTXFNBZNWDFBM,XHTXFNBZNWDFBM-UHFFFAOYSA-N,"InChI=1S/C12H11N5O/c1-9(10-5-3-2-4-6-10)17-8-14-7-11(17)12(18)15-16-13/h2-9H,1H3","""AuxInfo=1/0/N:1,6,5,7,4,8,12,10,2,3,13,14,18,11,16,17,9,15/E:(3,4)(5,6)/CRV:16.5/rA:18CCCCCCCCNCNCCCONN+N-/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s11;s9d12;s13;d14;s14;d16;d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1003193,PMID:17311911,2007.0,PMID:17311911,2007,0,1,0,0,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-XHXBNRQFCDKQLL_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL395675;44441391,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cncs1,XHXBNRQFCDKQLL,XHXBNRQFCDKQLL-UHFFFAOYSA-N,"InChI=1S/C19H12ClN3O3S/c20-12-5-6-15(22-17(24)16-8-21-10-27-16)11(7-12)9-23-18(25)13-3-1-2-4-14(13)19(23)26/h1-8,10H,9H2,(H,22,24)","""AuxInfo=1/1/N:18,19,17,20,6,5,9,24,11,26,10,7,16,15,4,23,2,21,13,8,25,3,12,1,22,14,27/E:(1,2)(3,4)(13,14)(18,19)(25,26)/rA:27OCNCCCCClCCCNCOCCCCCCCOCCNCS/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  5.720;  5.721,5.72,0.001,0.001,2.0,5.72,0.001
-XHYTYVVTYDJDCK_on_P31644_WT,High,ChEMBL30,CHEMBL3681440,O=C(NC1CCOCC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,XHYTYVVTYDJDCK,XHYTYVVTYDJDCK-UHFFFAOYSA-N,"InChI=1S/C22H20F3N3O4/c23-22(24,25)20-17(19(28-32-20)14-4-2-1-3-5-14)13-31-18-7-6-15(12-26-18)21(29)27-16-8-10-30-11-9-16/h1-7,12,16H,8-11,13H2,(H,27,29)","""AuxInfo=1/1/N:28,27,29,26,30,11,12,5,9,6,8,32,15,25,10,4,16,13,24,17,2,18,19,20,21,31,3,23,1,7,14,22/E:(2,3)(4,5)(8,9)(10,11)(23,24,25)/rA:32OCNCCCOCCCCCCOCCCCFFFONCCCCCCCNC/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s18;s18;s17;s22;s16d23;s24;d25;s26;d27;s28;s25d29;s13;s10d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-XIBAUTSZDOVNEE_on_P14867_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-XIBAUTSZDOVNEE_on_P18507_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273620;CHEMBL1273617;CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.430;  6.780;  5.300;  6.500;  5.540,6.31,0.79,0.395,5.0,6.5,0.93
-XIBAUTSZDOVNEE_on_P28472_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273616;CHEMBL1273617;CHEMBL1273619;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.430;  6.780;  6.500;  5.540;  5.300,6.31,0.79,0.395,5.0,6.5,0.93
-XIBAUTSZDOVNEE_on_P31644_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-XIBAUTSZDOVNEE_on_P34903_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-XIBAUTSZDOVNEE_on_P47869_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-XIBAUTSZDOVNEE_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270348,CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1,XIBAUTSZDOVNEE,XIBAUTSZDOVNEE-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2S/c1-20(2,3)24-19(23)16-10-14-13-9-12(18-5-4-8-25-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3","""AuxInfo=1/0/N:1,3,4,19,18,22,23,20,15,25,10,16,14,24,13,8,11,17,6,2,9,12,7,5,21/E:(1,2,3)/rA:25CCCCOCOCNCCNCCCCCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s18;d19;s17s20;s16;s13d22;s11s14;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XICGUIHRFBKLRT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL104818,CCS(=O)(=O)N(Cc1cnccc1)c1cc(Cc2ccccc2)ccc1,XICGUIHRFBKLRT,XICGUIHRFBKLRT-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2S/c1-2-26(24,25)23(17-20-11-7-13-22-16-20)21-12-6-10-19(15-21)14-18-8-4-3-5-9-18/h3-13,15-16H,2,14,17H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,25,12,19,23,24,13,26,11,17,15,9,7,18,16,8,14,10,6,4,5,3/E:(4,5)(8,9)(24,25)/CRV:26.6/rA:26CCSOONCCCNCCCCCCCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;d16;s24;s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-XIIZBVWBCHHNQS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1290217;52944881,O=C(COCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,XIIZBVWBCHHNQS,XIIZBVWBCHHNQS-UHFFFAOYSA-N,"InChI=1S/C17H18Cl2N4O2/c18-13-1-2-16(15(19)9-13)22-5-7-23(8-6-22)17(24)12-25-11-14-10-20-3-4-21-14/h1-4,9-10H,5-8,11-12H2","""AuxInfo=1/0/N:18,17,9,10,14,24,13,25,21,7,5,3,19,6,22,16,2,20,23,8,11,15,12,1,4/E:(5,6)(7,8)/rA:25OCCOCCCNCCNNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204;PubChemAID:539642,PMID:21067920,2010.0,PMID:21067920;PubChemAID:539642,2010;2011,0,1;0,0,0,0;1,,=,  5.280;  5.284,5.282,0.002,0.002,2.0,5.282,0.002
-XILQKEHRYUALQZ_on_P14867_WT,Low,ChEMBL30,CHEMBL1270361;CHEMBL1270457,CCOC(=O)c1cncn1C(C)c1ccc(C2(C(F)(F)F)N=N2)cc1,XILQKEHRYUALQZ,XILQKEHRYUALQZ-UHFFFAOYSA-N,"InChI=1S/C16H15F3N4O2/c1-3-25-14(24)13-8-20-9-23(13)10(2)11-4-6-12(7-5-11)15(21-22-15)16(17,18)19/h4-10H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,14,25,15,24,7,9,11,13,16,6,4,17,18,19,20,21,8,22,23,10,5,3/E:(4,5)(6,7)(17,18,19)(21,22)/rA:25CCOCOCCNCNCCCCCCCCFFFNNCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s17;s18;s18;s18;s17;s17w?22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273812,PMID:20704351,2010.0,PMID:20704351,2010,0,1,0,0,0,,=,  4.520;  5.190,4.855,0.335,0.335,2.0,4.855,0.335
-XILQKEHRYUALQZ_on_P18507_WT,Low,ChEMBL30,CHEMBL1270457;CHEMBL1270361,CCOC(=O)c1cncn1C(C)c1ccc(C2(C(F)(F)F)N=N2)cc1,XILQKEHRYUALQZ,XILQKEHRYUALQZ-UHFFFAOYSA-N,"InChI=1S/C16H15F3N4O2/c1-3-25-14(24)13-8-20-9-23(13)10(2)11-4-6-12(7-5-11)15(21-22-15)16(17,18)19/h4-10H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,14,25,15,24,7,9,11,13,16,6,4,17,18,19,20,21,8,22,23,10,5,3/E:(4,5)(6,7)(17,18,19)(21,22)/rA:25CCOCOCCNCNCCCCCCCCFFFNNCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s17;s18;s18;s18;s17;s17w?22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273812,PMID:20704351,2010.0,PMID:20704351,2010,0,1,0,0,0,,=,  5.190;  4.520,4.855,0.335,0.335,2.0,4.855,0.335
-XILQKEHRYUALQZ_on_P47870_WT,Low,ChEMBL30,CHEMBL1270361;CHEMBL1270457,CCOC(=O)c1cncn1C(C)c1ccc(C2(C(F)(F)F)N=N2)cc1,XILQKEHRYUALQZ,XILQKEHRYUALQZ-UHFFFAOYSA-N,"InChI=1S/C16H15F3N4O2/c1-3-25-14(24)13-8-20-9-23(13)10(2)11-4-6-12(7-5-11)15(21-22-15)16(17,18)19/h4-10H,3H2,1-2H3","""AuxInfo=1/0/N:1,12,2,14,25,15,24,7,9,11,13,16,6,4,17,18,19,20,21,8,22,23,10,5,3/E:(4,5)(6,7)(17,18,19)(21,22)/rA:25CCOCOCCNCNCCCCCCCCFFFNNCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s11;d13;s14;d15;s16;s17;s18;s18;s18;s17;s17w?22;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1273812,PMID:20704351,2010.0,PMID:20704351,2010,0,1,0,0,0,,=,  4.520;  5.190,4.855,0.335,0.335,2.0,4.855,0.335
-XIOPEJHJRPVVDJ_on_O00591_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_O14764_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P14867_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P18505_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P18507_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P28472_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P31644_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P34903_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P47869_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P47870_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P48169_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_P78334_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIOPEJHJRPVVDJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322869,Nc1c(CC(=O)O)cccn1,XIOPEJHJRPVVDJ,XIOPEJHJRPVVDJ-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H2,8,9)(H,10,11)","""AuxInfo=1/1/N:9,8,10,4,3,5,2,1,11,6,7/E:(10,11)/rA:11NCCCCOOCCCN/rB:s1;d2;s3;s4;d5;s5;s3;d8;s9;s2d10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_O15399_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_O60391_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_Q05586_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_Q12879_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_Q13224_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIRBLDYUXZIPCU_on_Q14957_WT,Low,ChEMBL30,CHEMBL328310,Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1,XIRBLDYUXZIPCU,XIRBLDYUXZIPCU-UHFFFAOYSA-N,"InChI=1S/C9H11N5O4/c1-14-7(11-3-12-14)6-4(8(15)13-18-6)2-5(10)9(16)17/h3,5H,2,10H2,1H3,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:1,9,4,8,10,7,6,15,12,11,5,3,17,2,16,13,14,18/E:(16,17)/rA:18CNNCNCCCCCNCOOCONO/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;s9;s10;s10;d12;s12;s8;s15;d15;s7s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XIULEDQKPVUSNS_on_P41594_WT,Medium,ChEMBL30,CHEMBL186521,c1ccc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,XIULEDQKPVUSNS,XIULEDQKPVUSNS-UHFFFAOYSA-N,InChI=1S/C18H13N5O/c1-2-8-15(9-3-1)24-16-10-6-7-14(13-16)23-21-18(20-22-23)17-11-4-5-12-19-17/h1-13H,"""AuxInfo=1/0/N:1,2,24,19,18,8,9,3,23,7,20,17,22,10,4,6,15,14,16,13,21,12,11,5/E:(2,3)(8,9)/rA:24CCCCOCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s4;s1d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL826437,PMID:15482906,2004.0,PMID:15482906,2004,1,0,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-XIVCAVADNLDPSM_on_Q13255_WT,High,ChEMBL30,CHEMBL576434,Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cnccc1,XIVCAVADNLDPSM,XIVCAVADNLDPSM-UHFFFAOYSA-N,"InChI=1S/C19H21N5O/c1-13(2)23(4)19(25)16-9-7-15(8-10-16)18-14(3)24(22-21-18)17-6-5-11-20-12-17/h5-13H,1-4H3","""AuxInfo=1/0/N:13,14,1,11,24,25,5,16,6,15,23,21,12,2,4,7,20,3,8,22,17,18,10,19,9/E:(1,2)(7,8)(9,10)/rA:25CCCCCCCCONCCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s10;s12;s12;s7;s4d15;s3;d17;s2s18;s19;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-XIWPULFTGOZCOX_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,53323738;CHEMBL1682822;CHEMBL1682822,O=C1CCOc2c1ccc(C#CC1CCCC1)n2,XIWPULFTGOZCOX,XIWPULFTGOZCOX-UHFFFAOYSA-N,"InChI=1S/C15H15NO2/c17-14-9-10-18-15-13(14)8-7-12(16-15)6-5-11-3-1-2-4-11/h7-8,11H,1-4,9-10H2","""AuxInfo=1/0/N:15,16,14,17,12,11,9,8,3,4,13,10,7,2,6,18,1,5/E:(1,2)(3,4)/rA:18OCCCOCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;s13;s14;s15;s13s16;s6d10;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:579858;CHEMBL1685174;CHEMBL1685174,PMID:21295468,2011.0,PubChemAID:579858;PMID:21295468;PMID:21295468,2011,0,0;1;1,0,0,1;0;0,,=,  6.970;  6.970;  6.970,6.97,0.0,0.0,3.0,6.97,0.0
-XIXNRVYHFCYTSQ_on_Q14416_WT,High,ChEMBL30,CHEMBL180488,CC1(C)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,XIXNRVYHFCYTSQ,XIXNRVYHFCYTSQ-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N4O2/c1-19(2)8-12-7-13(15(20)16(21)14(12)17(19)26)27-9-10-3-5-11(6-4-10)18-22-24-25-23-18/h3-7H,8-9H2,1-2H3,(H,22,23,24,25)","""AuxInfo=1/1/N:1,3,17,26,18,25,27,4,15,16,19,5,13,6,11,9,7,20,2,12,10,21,24,22,23,8,14/E:(1,2)(3,4)(5,6)(22,23)(24,25)/rA:27CCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;s2;s4;d5;s2s6;d7;s6;s9;d9;s11;s11;s13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s20d23;s19;s16d25;s5d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-XJAGNRMGVCANFG_on_P41594_WT,Low,ChEMBL30,CHEMBL3633970,CC(=O)N1CCCn2nc(CS(=O)(=O)c3ccccc3)cc12,XJAGNRMGVCANFG,XJAGNRMGVCANFG-UHFFFAOYSA-N,"InChI=1S/C15H17N3O3S/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-22(20,21)14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","""AuxInfo=1/0/N:1,18,17,19,6,16,20,5,7,21,11,2,10,15,22,9,4,8,3,13,14,12/E:(3,4)(6,7)(20,21)/CRV:22.6/rA:22CCONCCCNNCCSOOCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;d12;d12;s12;d15;s16;d17;s18;s15d19;s10;s4s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,<,  4.500,4.5,0.0,0.0,1.0,4.5,0.0
-XJAJGNGEXURYMJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107635,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1,XJAJGNGEXURYMJ,XJAJGNGEXURYMJ-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O2/c1-13-9-16(10-14(2)27-13)20-19-7-8-30-18(11-23)12-29(19)21(28-20)15-3-5-17(6-4-15)31-22(24,25)26/h3-6,9-10,18H,7-8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,30,17,26,18,25,7,8,3,28,11,13,2,29,16,4,19,10,6,5,15,21,12,22,23,24,31,27,14,9,20/E:(1,2)(3,4)(5,6)(9,10)(13,14)(24,25,26)/rA:31CCCCCCCCOCCFCNCCCCCOCFFFCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s16d25;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-XJCSIGHRPMXCCH_on_P14867_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-XJCSIGHRPMXCCH_on_P18507_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273617;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910;  7.000;  7.520,7.143,0.26899999999999996,0.19,3.0,7.0,0.09
-XJCSIGHRPMXCCH_on_P28472_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273616;CHEMBL1273617;CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910;  7.000;  7.520,7.143,0.26899999999999996,0.19,3.0,7.0,0.09
-XJCSIGHRPMXCCH_on_P31644_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XJCSIGHRPMXCCH_on_P34903_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XJCSIGHRPMXCCH_on_P47869_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-XJCSIGHRPMXCCH_on_P48169_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-XJCSIGHRPMXCCH_on_Q16445_WT,Low,ChEMBL30,CHEMBL1269059,CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12,XJCSIGHRPMXCCH,XJCSIGHRPMXCCH-UHFFFAOYSA-N,"InChI=1S/C34H30N4O4/c1-33(2,3)41-31(39)27-15-23-21-13-19(9-11-25(21)37-29(23)17-35-27)7-8-20-10-12-26-22(14-20)24-16-28(36-18-30(24)38-26)32(40)42-34(4,5)6/h9-18,37-38H,1-6H3","""AuxInfo=1/0/N:1,3,4,36,37,38,19,20,17,26,16,25,41,22,9,39,12,29,18,21,42,23,10,40,15,24,8,31,11,28,6,32,2,35,13,30,14,27,7,33,5,34/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42CCCCOCOCCCCCNNCCCCCCCCCCCCNCCNCCOOCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s18;t19;s20;d21;s22;d23;s24;s21d25;s24;s27;d28;s29;d30;s31;d32;s32;s34;s35;s35;s35;s31;s23s28d39;s18;s10s15d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,<,  5.398,5.398,0.0,0.0,1.0,5.398,0.0
-XJCYHMKHRQTZFD_on_P41594_WT,High,ChEMBL30,CHEMBL2205927,CSc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,XJCYHMKHRQTZFD,XJCYHMKHRQTZFD-UHFFFAOYSA-N,"InChI=1S/C17H15N5OS2/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,20,8,6,3,14,10,11,15,13,22,19,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25CSCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XJCYHMKHRQTZFD_on_Q13255_WT,High,ChEMBL30,CHEMBL2205927,CSc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1,XJCYHMKHRQTZFD,XJCYHMKHRQTZFD-UHFFFAOYSA-N,"InChI=1S/C17H15N5OS2/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3","""AuxInfo=1/0/N:17,18,1,5,24,4,25,20,8,6,3,14,10,11,15,13,22,19,21,9,16,7,23,2,12/E:(1,2)(4,5)(6,7)/rA:25CSCCCCNCNCCSCCCNCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XJMBTGGOAFIZQB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3937959,Fc1cc(F)c(F)c(Nc2c3ncccc3n[nH]2)c1,XJMBTGGOAFIZQB,XJMBTGGOAFIZQB-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-6-4-7(14)10(15)9(5-6)17-12-11-8(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)","""AuxInfo=1/1/N:14,15,13,3,19,2,4,16,8,6,11,10,1,5,7,12,9,17,18/rA:19FCCCFCFCNCCNCCCCNNC/rB:s1;d2;s3;s4;d4;s6;s6;s8;s9;d10;s11;d12;s13;d14;s11s15;d16;s10s17;s2d8;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-XJMIBNLJFYSGAR_on_O00591_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_O14764_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P14867_WT,Medium,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497;CHEMBL991886,PMID:9435905,1997.0,PMID:21277199;PMID:18537233,2011;2008,1;0,0,0;1,0,0,,=,  9.000;  9.520,9.26,0.26,0.26,2.0,9.26,0.26
-XJMIBNLJFYSGAR_on_P18505_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P18507_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P28472_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P31644_WT,Medium,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-XJMIBNLJFYSGAR_on_P34903_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P47869_WT,Medium,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:9435905,1997.0,PMID:21277199,2011,1,0,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-XJMIBNLJFYSGAR_on_P47870_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P48169_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_P78334_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_Q16445_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMIBNLJFYSGAR_on_Q99928_WT,Low,ChEMBL30,CHEMBL20042,O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1,XJMIBNLJFYSGAR,XJMIBNLJFYSGAR-UHFFFAOYSA-N,"InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,13H","""AuxInfo=1/0/N:9,10,8,11,17,20,16,21,4,18,15,7,3,6,12,2,19,5,13,14,1/E:(5,6)(7,8)/rA:21OCCCNCCCCCCCNNCCCCClCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s9;s6d10;s3s7;w?12;s2s13;s14;d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  9.220,9.22,0.0,0.0,1.0,9.22,0.0
-XJMXBQQWCCDHJC_on_O00591_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_O14764_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P14867_WT,Medium,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P18505_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P18507_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P28472_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P31644_WT,Medium,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:9435905,1997.0,PMID:18537233,2008,0,0,1,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-XJMXBQQWCCDHJC_on_P34903_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P47869_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P47870_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P48169_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_P78334_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_Q16445_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJMXBQQWCCDHJC_on_Q99928_WT,Low,ChEMBL30,CHEMBL3144739,COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1,XJMXBQQWCCDHJC,XJMXBQQWCCDHJC-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,21H,1H3","""AuxInfo=1/0/N:1,18,19,17,20,5,21,4,22,13,6,3,16,10,15,9,11,14,8,7,12,2/E:(6,7)(8,9)/rA:22COCCCCNNCCCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;s7d10;s11;s10;d13;s14;s9d15;s16;d17;s18;s15d19;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=, 10.000,10.0,0.0,0.0,1.0,10.0,0.0
-XJRDHPKTMGWJGN_on_P14867_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.820;  8.820,8.82,0.0,0.0,2.0,8.82,0.0
-XJRDHPKTMGWJGN_on_P18507_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681480;CHEMBL678329;CHEMBL683045;CHEMBL683047;CHEMBL822165;CHEMBL685338;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648,2000;2000;2000;2000;1998;1998;1998;1998,0,0,0,1,0,,=,  9.280;  9.850;  8.820;  8.160;  8.160;  8.820;  9.850;  9.280,9.027000000000001,0.62,0.23399999999999999,8.0,9.05,0.515
-XJRDHPKTMGWJGN_on_P28472_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL682251;CHEMBL685338;CHEMBL823916;CHEMBL683045;CHEMBL822165;CHEMBL681480;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039,1998;2000;1998;1998;2000;1998;2000;2000,0,0,0,1,0,,=,  8.160;  9.280;  9.850;  9.280;  8.160;  8.820;  9.850;  8.820,9.027000000000001,0.62,0.23399999999999999,8.0,9.05,0.515
-XJRDHPKTMGWJGN_on_P31644_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  9.850;  9.850,9.85,0.0,0.0,2.0,9.85,0.0
-XJRDHPKTMGWJGN_on_P34903_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.280;  9.280,9.28,0.0,0.0,2.0,9.28,0.0
-XJRDHPKTMGWJGN_on_Q16445_WT,Low,ChEMBL30,CHEMBL130609,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O,XJRDHPKTMGWJGN,XJRDHPKTMGWJGN-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,13,2,15,20,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCOCCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.160;  8.160,8.16,0.0,0.0,2.0,8.16,0.0
-XJRFQZOVADRNBO_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118536;CHEMBL1951681,CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cc1,XJRFQZOVADRNBO,XJRFQZOVADRNBO-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2S/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-2)7-5-12/h4-11H,3H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:1,21,2,17,23,18,22,5,25,6,24,16,19,10,4,9,11,8,13,3,7,15,14,20,12/E:(4,5)(6,7)/rA:25CCNCCCNCCCCSCONCCCCOCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s19;s16d22;s15;s10d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.824;  7.820,7.822,0.002,0.002,2.0,7.822,0.002
-XJRWKCPGEHIXTF_on_P31644_WT,High,ChEMBL30,CHEMBL3681433,COC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,XJRWKCPGEHIXTF,XJRWKCPGEHIXTF-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2O4/c1-25-17(24)12-7-8-14(22-9-12)26-10-13-15(11-5-3-2-4-6-11)23-27-16(13)18(19,20)21/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,25,6,7,27,10,20,5,11,8,19,12,3,13,14,15,16,26,18,4,2,9,17/E:(3,4)(5,6)(19,20,21)/rA:27COCOCCCCOCCCCFFFONCCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s13;s13;s13;s12;s17;s11d18;s19;d20;s21;d22;s23;s20d24;s8;s5d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-XJVVCHIFCFZYKV_on_P41594_WT,High,ChEMBL30,CHEMBL2205908,CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,XJVVCHIFCFZYKV,XJVVCHIFCFZYKV-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-3-18-15-12-13-14(25-16(12)20-8-19-15)17(23)22(9-21-13)10-4-6-11(24-2)7-5-10/h4-9H,3H2,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,21,2,17,23,18,22,8,14,16,19,5,12,11,4,6,24,3,9,7,13,15,25,20,10/E:(4,5)(6,7)/rA:25CCNCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s19;s16d22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XJVVCHIFCFZYKV_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,57559437;CHEMBL2205908,CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,XJVVCHIFCFZYKV,XJVVCHIFCFZYKV-UHFFFAOYSA-N,"InChI=1S/C17H15N5O2S/c1-3-18-15-12-13-14(25-16(12)20-8-19-15)17(23)22(9-21-13)10-4-6-11(24-2)7-5-10/h4-9H,3H2,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:1,21,2,17,23,18,22,8,14,16,19,5,12,11,4,6,24,3,9,7,13,15,25,20,10/E:(4,5)(6,7)/rA:25CCNCCCNCNSCCNCNCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s19;s16d22;s11s15;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-XJWOWBGWORGKJS_on_P18507_WT,Low,ChEMBL30,CHEMBL237487,CCCCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1,XJWOWBGWORGKJS,XJWOWBGWORGKJS-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCBrCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-XJWOWBGWORGKJS_on_P47869_WT,Low,ChEMBL30,CHEMBL237487,CCCCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1,XJWOWBGWORGKJS,XJWOWBGWORGKJS-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCBrCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-XJWOWBGWORGKJS_on_P47870_WT,Low,ChEMBL30,CHEMBL237487,CCCCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1,XJWOWBGWORGKJS,XJWOWBGWORGKJS-UHFFFAOYSA-N,"InChI=1S/C12H12BrCl2N3/c1-2-3-4-9-7-18(17-16-9)12-10(14)5-8(13)6-11(12)15/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,14,6,12,5,9,15,8,13,10,16,18,17,7/E:(5,6)(10,11)(14,15)/rA:18CCCCCCNCCClCCBrCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s12;s8d14;s15;s7;s5d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-XKDZMWBXGRDZKW_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647543,CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3(C)CC3)ccc2F)cc1,XKDZMWBXGRDZKW,XKDZMWBXGRDZKW-UHFFFAOYSA-N,"InChI=1S/C23H21FN4O2S/c1-3-31(29,30)17-7-4-15(5-8-17)18-12-16(6-9-20(18)24)19-13-26-27-22-21(19)25-14-28(22)23(2)10-11-23/h4-9,12-14H,3,10-11H2,1-2H3","""AuxInfo=1/0/N:1,23,2,8,30,26,7,31,27,24,25,11,14,20,9,12,6,10,13,28,18,17,22,29,19,15,16,21,4,5,3/E:(4,5)(7,8)(10,11)(29,30)/CRV:31.6/rA:31CCSOOCCCCCCCCCNNCCNCNCCCCCCCFCC/rB:s1;s2;d3;d3;s3;d6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s17s20;s21;s22;s22;s22s24;d12;s26;s10d27;s28;s9;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-XKENJWNGLCKOBP_on_O00591_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_O14764_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P14867_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P18505_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P18507_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P28472_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P31644_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P34903_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P47869_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P47870_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P48169_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_P78334_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_Q16445_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKENJWNGLCKOBP_on_Q99928_WT,Low,ChEMBL30,CHEMBL78730,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1,XKENJWNGLCKOBP,XKENJWNGLCKOBP-UHFFFAOYSA-N,"InChI=1S/C21H17N5/c22-11-14-1-4-21-20(9-14)25-13-26(21)16-2-3-19-17(10-16)18(12-24-19)15-5-7-23-8-6-15/h1-5,9-10,12-13,23-24H,6-8H2","""AuxInfo=1/0/N:4,17,16,5,22,26,23,25,8,13,2,19,10,3,21,12,14,20,15,7,6,1,24,18,9,11/rA:26NCCCCCCCNCNCCCCCCNCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;w?21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-XKEXELQBOPSMOW_on_P41594_WT,High,ChEMBL30,CHEMBL2403593,COc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1,XKEXELQBOPSMOW,XKEXELQBOPSMOW-UHFFFAOYSA-N,"InChI=1S/C22H18N2O2S/c1-26-18-9-5-8-17(14-18)22(25)24-13-12-19-20(15-24)27-21(23-19)11-10-16-6-3-2-4-7-16/h2-9,14H,12-13,15H2,1H3","""AuxInfo=1/0/N:1,21,20,22,26,19,23,25,27,17,16,10,9,4,13,18,5,3,11,12,15,6,24,8,7,2,14/E:(3,4)(6,7)/rA:27COCCCCONCCCCCSCCCCCCCCCNCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-XKILINGCMGYXHP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111387,Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)c1,XKILINGCMGYXHP,XKILINGCMGYXHP-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O3/c1-12-7-15(8-16(11-30)27-12)20-18-5-6-31-13(2)10-29(18)21(28-20)14-3-4-19(17(23)9-14)32-22(24,25)26/h3-4,7-9,13,30H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,15,20,21,11,12,32,7,30,16,5,2,14,19,8,4,28,10,22,9,18,24,29,25,26,27,3,31,17,6,13,23/E:(24,25,26)/rA:32CCNCCOCCCCCCOCCCNCCCCCOCFFFCFCNC/rB:s1;d2;s3;s4;s5;d4;s7;s8;d9;s10;s11;s12;s13;s14;s14;s10s16;s17;s18;d19;s20;d21;s22;s23;s24;s24;s24;s22;s28;s19d28;s9d18;s2d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XKJJEWUEROCSMU_on_P41594_WT,High,ChEMBL30,CHEMBL4101988,O=c1cc(OCc2ccccn2)nc2COCC(Cc3ccccc3)n21,XKJJEWUEROCSMU,XKJJEWUEROCSMU-UHFFFAOYSA-N,"InChI=1S/C20H19N3O3/c24-20-11-19(26-12-16-8-4-5-9-21-16)22-18-14-25-13-17(23(18)20)10-15-6-2-1-3-7-15/h1-9,11,17H,10,12-14H2","""AuxInfo=1/0/N:23,22,24,9,10,21,25,8,11,19,3,6,17,15,20,7,18,14,4,2,12,13,26,1,16,5/E:(2,3)(6,7)/rA:26OCCCOCCCCCCNNCCOCCCCCCCCCN/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;d13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s2s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-XKLJNZAOGDOIAD_on_Q13255_WT,High,ChEMBL30,CHEMBL3634446,Cc1c(C(=O)Nc2c(Cl)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,XKLJNZAOGDOIAD,XKLJNZAOGDOIAD-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,17,20,23,24,27,26,10,2,11,16,15,8,7,3,4,21,13,9,6,12,5,22,14,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCClCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-XKLJNZAOGDOIAD_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634446,Cc1c(C(=O)Nc2c(Cl)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,XKLJNZAOGDOIAD,XKLJNZAOGDOIAD-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O4/c1-11-8-9-27-17(11)18(24)22-16-7-6-12(10-15(16)21)23-19(25)13-4-2-3-5-14(13)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,18,19,17,20,23,24,27,26,10,2,11,16,15,8,7,3,4,21,13,9,6,12,5,22,14,25/E:(2,3)(4,5)(13,14)(19,20)(25,26)/rA:27CCCCONCCClCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XKMKSEYOGDIPRN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3974960,CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,XKMKSEYOGDIPRN,XKMKSEYOGDIPRN-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-18(2)13-20(17(21)22-18)16-11-10-15(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,13,17,11,10,8,7,18,4,12,9,6,20,2,19,5,21,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-XKPNKSWJZIWBKJ_on_P14867_WT,Low,ChEMBL30,CHEMBL383252,FC(F)(F)c1nc2ncc(-c3ncnc(Cl)c3)n2cc1,XKPNKSWJZIWBKJ,XKPNKSWJZIWBKJ-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-3-6(17-5-18-9)7-4-16-10-19-8(11(13,14)15)1-2-20(7)10/h1-5H","""AuxInfo=1/0/N:20,19,17,9,13,11,10,5,15,7,2,16,1,3,4,8,12,14,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCNCClCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s15;s11d15;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-XKPNKSWJZIWBKJ_on_P34903_WT,Low,ChEMBL30,CHEMBL383252,FC(F)(F)c1nc2ncc(-c3ncnc(Cl)c3)n2cc1,XKPNKSWJZIWBKJ,XKPNKSWJZIWBKJ-UHFFFAOYSA-N,"InChI=1S/C11H5ClF3N5/c12-9-3-6(17-5-18-9)7-4-16-10-19-8(11(13,14)15)1-2-20(7)10/h1-5H","""AuxInfo=1/0/N:20,19,17,9,13,11,10,5,15,7,2,16,1,3,4,8,12,14,6,18/E:(13,14,15)/rA:20FCFFCNCNCCCNCNCClCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s15;s11d15;s7s10;s18;s5d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-XKPOWAVHFBXFHW_on_O15303_WT,High,ChEMBL30,CHEMBL565503,CCOC(=O)c1c(N)sc(-c2ccc(F)cc2)c1C,XKPOWAVHFBXFHW,XKPOWAVHFBXFHW-UHFFFAOYSA-N,"InChI=1S/C14H14FNO2S/c1-3-18-14(17)11-8(2)12(19-13(11)16)9-4-6-10(15)7-5-9/h4-7H,3,16H2,1-2H3","""AuxInfo=1/0/N:1,19,2,12,17,13,16,18,11,14,6,10,7,4,15,8,5,3,9/E:(4,5)(6,7)/rA:19CCOCOCCNSCCCCCFCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;d13;s14;s14;s11d16;s6d10;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-XKPPGLFHMVJURM_on_Q14416_WT,Medium,ChEMBL30,CHEMBL450207,CC1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1,XKPPGLFHMVJURM,XKPPGLFHMVJURM-UHFFFAOYSA-N,"InChI=1S/C18H25NO3/c1-14-11-19(18(20)22-14)12-15-7-9-17(10-8-15)21-13-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,7,19,8,18,3,5,11,2,6,12,9,20,4,21,10,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CCCNCCCCCOCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s12s16;s9;s6d18;s4;d20;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-XKUGDUULLMTXKY_on_P41594_WT,Low,ChEMBL30,CHEMBL247080,O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2c1nc(O)o2,XKUGDUULLMTXKY,XKUGDUULLMTXKY-UHFFFAOYSA-N,"InChI=1S/C14H8Cl2N2O3/c15-7-4-8(16)6-9(5-7)17-13(19)10-2-1-3-11-12(10)18-14(20)21-11/h1-6H,(H,17,19)(H,18,20)","""AuxInfo=1/1/N:14,13,15,8,5,11,6,9,4,12,16,17,2,19,7,10,3,18,1,20,21/E:(5,6)(7,8)(15,16)/rA:21OCNCCCClCCClCCCCCCCNCOO/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;s12d16;s17;d18;s19;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885912,PMID:17189691,2007.0,PMID:17189691,2007,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XKVCHZUUVZBEPR_on_P41594_WT,High,ChEMBL30,CHEMBL2431413,O=C(Cn1cc(-c2ccc(F)cc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1,XKVCHZUUVZBEPR,XKVCHZUUVZBEPR-UHFFFAOYSA-N,"InChI=1S/C25H23FN6O/c26-21-9-7-19(8-10-21)22-17-32(24(29-22)20-5-2-1-3-6-20)18-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,17H,13-16,18H2","""AuxInfo=1/0/N:19,18,20,29,17,21,8,13,9,12,28,30,23,33,24,32,5,3,7,16,10,6,2,15,26,11,27,31,14,22,25,4,1/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(27,28)/rA:33OCCNCCCCCCFCCNCCCCCCCNCCNCNCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s10;s7d12;s6;s4d14;s15;d16;s17;d18;s19;s16d20;s2;s22;s23;s24;s25;d26;s27;d28;s29;s26d30;s25;s22s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-XKYNWQQXPNSPBP_on_P41594_WT,High,ChEMBL30,CHEMBL1682804,C(#Cc1cnc2NCCc2c1)c1ccccc1,XKYNWQQXPNSPBP,XKYNWQQXPNSPBP-UHFFFAOYSA-N,"InChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-5,10-11H,8-9H2,(H,16,17)","""AuxInfo=1/1/N:15,14,16,13,17,1,2,9,8,11,4,12,3,10,6,7,5/E:(2,3)(4,5)/rA:17CCCCNCNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s6s9;s3d10;s1;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.800;  7.800,7.8,0.0,0.0,2.0,7.8,0.0
-XKZJGPAQRAEUDQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3909811,CC1C(c2ccc3c(n2)N(C)S(=O)(=O)N3CC2CC2(F)F)C1C(C)(C)O,XKZJGPAQRAEUDQ,XKZJGPAQRAEUDQ-UHFFFAOYSA-N,"InChI=1S/C17H23F2N3O3S/c1-9-13(14(9)16(2,3)23)11-5-6-12-15(20-11)21(4)26(24,25)22(12)8-10-7-17(10,18)19/h5-6,9-10,13-14,23H,7-8H2,1-4H3","""AuxInfo=1/0/N:1,24,25,11,5,6,18,16,2,17,4,7,3,22,8,23,19,20,21,9,10,15,26,13,14,12/E:(2,3)(18,19)(24,25)/CRV:26.6/rA:26CCCCCCCCNNCSOONCCCCFFCCCCO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s8;s10;s10;d12;d12;s7s12;s15;s16;s17;s17s18;s19;s19;s2s3;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.840;  7.390,7.615,0.225,0.225,2.0,7.615,0.225
-XLCBJZCNPXZIGH_on_O00222_WT,High,ChEMBL30,CHEMBL4096644;CHEMBL4101970;CHEMBL4077705,NC(CCP(=O)(O)C(O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O,XLCBJZCNPXZIGH,XLCBJZCNPXZIGH-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,11,20,10,12,2,16,14,21,8,13,1,17,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:23NCCCPOOCOCCCFCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.770;  4.460;  4.630,4.62,0.127,0.09,3.0,4.63,0.14
-XLCBJZCNPXZIGH_on_O15303_WT,High,ChEMBL30,CHEMBL4101970;CHEMBL4096644;CHEMBL4077705,NC(CCP(=O)(O)C(O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O,XLCBJZCNPXZIGH,XLCBJZCNPXZIGH-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,11,20,10,12,2,16,14,21,8,13,1,17,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:23NCCCPOOCOCCCFCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.120;  4.990;  5.970,5.693,0.501,0.354,3.0,5.97,0.15
-XLCBJZCNPXZIGH_on_Q14831_WT,High,ChEMBL30,CHEMBL4101970;CHEMBL4077705;CHEMBL4096644,NC(CCP(=O)(O)C(O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O,XLCBJZCNPXZIGH,XLCBJZCNPXZIGH-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,11,20,10,12,2,16,14,21,8,13,1,17,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:23NCCCPOOCOCCCFCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.410;  4.290;  4.270,4.323,0.062,0.044000000000000004,3.0,4.29,0.02
-XLCBJZCNPXZIGH_on_Q14833_WT,High,ChEMBL30,CHEMBL4101970;CHEMBL4096644;CHEMBL4077705,NC(CCP(=O)(O)C(O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O,XLCBJZCNPXZIGH,XLCBJZCNPXZIGH-UHFFFAOYSA-N,"InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)","""AuxInfo=1/1/N:3,4,11,20,10,12,2,16,14,21,8,13,1,17,15,22,23,9,18,19,6,7,5/E:(16,17)(19,20)(21,22)/CRV:14.5/rA:23NCCCPOOCOCCCFCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;s12;d12;s14;s14;s16;d17;s17;s10d16;s2;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.620;  5.010;  5.710,5.447,0.311,0.22,3.0,5.62,0.09
-XLCPROQNAKTQDD_on_P41594_WT,Low,ChEMBL30,CHEMBL400307,Cc1cccc(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)c1,XLCPROQNAKTQDD,XLCPROQNAKTQDD-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O/c1-12-4-3-5-16(10-12)24-18-17(11-21-24)19(25)23(13(2)22-18)15-8-6-14(20)7-9-15/h3-11H,1-2H3","""AuxInfo=1/0/N:1,14,4,3,5,18,21,17,22,25,9,2,13,19,16,6,10,11,23,20,8,12,15,7,24/E:(6,7)(8,9)/rA:25CCCCCCNNCCCNCCNCCCCClCCCOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s10s15;d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XLCPROQNAKTQDD_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL400307;44442429,Cc1cccc(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)c1,XLCPROQNAKTQDD,XLCPROQNAKTQDD-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O/c1-12-4-3-5-16(10-12)24-18-17(11-21-24)19(25)23(13(2)22-18)15-8-6-14(20)7-9-15/h3-11H,1-2H3","""AuxInfo=1/0/N:1,14,4,3,5,18,21,17,22,25,9,2,13,19,16,6,10,11,23,20,8,12,15,7,24/E:(6,7)(8,9)/rA:25CCCCCCNNCCCNCCNCCCCClCCCOC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s7d10;s11;d12;s13;s13;s15;d16;s17;d18;s19;s19;s16d21;s10s15;d23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251;PubChemAID:308215,PMID:17532216,2007.0,PMID:17532216;PubChemAID:308215,2007;2010,1;0,0,0,0,0;1,,=,  6.750;  6.745,6.747999999999999,0.003,0.003,2.0,6.747999999999999,0.002
-XLDRQGOOASXRPC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3902047,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CCCC4)cn3)cc2n1,XLDRQGOOASXRPC,XLDRQGOOASXRPC-UHFFFAOYSA-N,"InChI=1S/C26H25FN4O2/c27-20-8-6-17(7-9-20)22-12-24(26(28)33)30-23-11-16(5-10-21(22)23)14-31-15-19(13-29-31)25(32)18-3-1-2-4-18/h5-13,15,18,25,32H,1-4,14H2,(H2,28,33)","""AuxInfo=1/1/N:26,27,25,28,16,8,13,9,12,15,31,5,29,18,20,17,7,24,21,10,14,6,32,4,22,2,11,1,30,33,19,23,3/E:(1,2)(3,4)(6,7)(8,9)/rA:33NCOCCCCCCCFCCCCCCCNCCCOCCCCCCNCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;s22;s22;s24;s25;s26;s24s27;s21;s19d29;d17;s14s31;s4d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-XLEQAIBMMUFWAP_on_O00222_WT,High,ChEMBL30,CHEMBL4060017,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,XLEQAIBMMUFWAP,XLEQAIBMMUFWAP-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-8(10(15)16)3-4-24(22,23)11(17)7-2-1-6(13(18)19)5-9(7)14(20)21/h1-2,5,8,11,17H,3-4,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:12,11,3,4,17,13,10,2,18,22,8,1,14,19,23,24,9,15,16,20,21,6,7,5/E:(15,16)(18,19)(20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCCCN+OO-CCN+OO-COO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s18;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.340,5.34,0.0,0.0,1.0,5.34,0.0
-XLEQAIBMMUFWAP_on_Q14833_WT,High,ChEMBL30,CHEMBL4060017,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,XLEQAIBMMUFWAP,XLEQAIBMMUFWAP-UHFFFAOYSA-N,"InChI=1S/C11H14N3O9P/c12-8(10(15)16)3-4-24(22,23)11(17)7-2-1-6(13(18)19)5-9(7)14(20)21/h1-2,5,8,11,17H,3-4,12H2,(H,15,16)(H,22,23)","""AuxInfo=1/1/N:12,11,3,4,17,13,10,2,18,22,8,1,14,19,23,24,9,15,16,20,21,6,7,5/E:(15,16)(18,19)(20,21)(22,23)/CRV:13.5,14.5/rA:24NCCCPOOCOCCCCN+OO-CCN+OO-COO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s13;s10d17;s18;d19;s19;s2;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XLGWOHXRFDSAJJ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3921230,CC(C)(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1,XLGWOHXRFDSAJJ,XLGWOHXRFDSAJJ-UHFFFAOYSA-N,"InChI=1S/C25H29FN4O/c1-25(2,3)23-15-30(11-10-28-23)14-16-4-9-19-20(17-5-7-18(26)8-6-17)13-22(24(27)31)29-21(19)12-16/h4-9,12-13,23,28H,10-11,14-15H2,1-3H3,(H2,27,31)","""AuxInfo=1/1/N:1,3,4,10,15,20,16,19,11,30,29,28,21,8,6,9,14,17,12,13,27,22,5,23,2,18,24,31,26,7,25/E:(1,2,3)(5,6)(7,8)/rA:31CCCCCCNCCCCCCCCCCFCCCCCNONCCCCN/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s7;s29;s5s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XLIRBKWLVJGYBI_on_P18507_WT,Low,ChEMBL30,CHEMBL1783260,COc1cc(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c(OC)cc1,XLIRBKWLVJGYBI,XLIRBKWLVJGYBI-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O3/c1-29-11-6-7-15(30-2)14(10-11)12-4-3-5-13-16(24)18(27-26-17(12)13)19(28)25-9-8-20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H2,24,26)(H,25,28)","""AuxInfo=1/1/N:1,28,8,7,9,30,29,18,17,4,3,6,10,5,26,11,25,13,14,19,20,21,22,12,16,24,23,15,2,27/E:(21,22,23)/rA:30COCCCCCCCCCNCCONCCCFFFNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s19;s19;d13;s23;s6s10d24;d5;s26;s27;s26;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-XLIRBKWLVJGYBI_on_P28472_WT,Low,ChEMBL30,CHEMBL1783260,COc1cc(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c(OC)cc1,XLIRBKWLVJGYBI,XLIRBKWLVJGYBI-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O3/c1-29-11-6-7-15(30-2)14(10-11)12-4-3-5-13-16(24)18(27-26-17(12)13)19(28)25-9-8-20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H2,24,26)(H,25,28)","""AuxInfo=1/1/N:1,28,8,7,9,30,29,18,17,4,3,6,10,5,26,11,25,13,14,19,20,21,22,12,16,24,23,15,2,27/E:(21,22,23)/rA:30COCCCCCCCCCNCCONCCCFFFNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s19;s19;d13;s23;s6s10d24;d5;s26;s27;s26;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-XLIRBKWLVJGYBI_on_P47869_WT,Low,ChEMBL30,CHEMBL1783260,COc1cc(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c(OC)cc1,XLIRBKWLVJGYBI,XLIRBKWLVJGYBI-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O3/c1-29-11-6-7-15(30-2)14(10-11)12-4-3-5-13-16(24)18(27-26-17(12)13)19(28)25-9-8-20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H2,24,26)(H,25,28)","""AuxInfo=1/1/N:1,28,8,7,9,30,29,18,17,4,3,6,10,5,26,11,25,13,14,19,20,21,22,12,16,24,23,15,2,27/E:(21,22,23)/rA:30COCCCCCCCCCNCCONCCCFFFNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s18;s19;s19;s19;d13;s23;s6s10d24;d5;s26;s27;s26;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-XLJLDVFESVWDSF_on_Q05586_WT,Low,ChEMBL30,CHEMBL338104,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(c2ccccc2)CC1,XLJLDVFESVWDSF,XLJLDVFESVWDSF-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-17-7-6-16-12-19(21-18(16)13-17)20(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15,21,23H,8-11H2","""AuxInfo=1/0/N:20,19,21,18,22,11,10,15,23,14,24,4,7,17,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCCCCCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,<,  5.097,5.0969999999999995,0.0,0.0,1.0,5.0969999999999995,0.0
-XLJLDVFESVWDSF_on_Q13224_WT,Low,ChEMBL30,CHEMBL338104,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(c2ccccc2)CC1,XLJLDVFESVWDSF,XLJLDVFESVWDSF-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c23-17-7-6-16-12-19(21-18(16)13-17)20(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15,21,23H,8-11H2","""AuxInfo=1/0/N:20,19,21,18,22,11,10,15,23,14,24,4,7,17,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:24OCCCCCCCOCCNNCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s16;s13s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,<,  5.097,5.0969999999999995,0.0,0.0,1.0,5.0969999999999995,0.0
-XLKFCRQJPWBJNW_on_O00591_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.850;  6.760,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_O14764_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.760;  6.850,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_P14867_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.760;  6.850,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P18505_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427534;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.850;  6.760,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P18507_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.850;  6.760,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_P28472_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  6.850;  6.760;  6.110,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P31644_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3430052;CHEMBL3427980;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1;0;1,0;1;0,0,0,0,,=,  6.850;  6.110;  6.760,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P34903_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.760;  6.850,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P47869_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.760;  6.850,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P47870_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.760;  6.850,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P48169_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3430052;CHEMBL3430052;CHEMBL3427980,PMID:25799373,2015.0,PMID:25799373,2015,1;1;0,0;0;1,0,0,0,,=,  6.850;  6.760;  6.110,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_P78334_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.760;  6.850,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3427534;CHEMBL3427525,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.850;  6.760,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.760;  6.850,6.805,0.045,0.045,2.0,6.805,0.045
-XLKFCRQJPWBJNW_on_Q16445_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3427980;CHEMBL3430052;CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,0;1;1,1;0;0,0,0,0,,=,  6.110;  6.760;  6.850,6.5729999999999995,0.33,0.233,3.0,6.76,0.09
-XLKFCRQJPWBJNW_on_Q99928_WT,Low,ChEMBL30,CHEMBL3427525;CHEMBL3427534,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1,XLKFCRQJPWBJNW,XLKFCRQJPWBJNW-UHFFFAOYSA-N,"InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(11-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)12-26-14-24-13-25-26/h13-20,28H,3-12H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,26,25,5,12,4,13,28,19,23,21,7,6,11,10,27,16,17,2,14,22,24,20,18,3/rA:28CCOCCCCCCCCCCCCCCOCNCNCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s20d23;s16;s25;s10s14s26;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3430052,PMID:25799373,2015.0,PMID:25799373,2015,1,0,0,0,0,,=,  6.760;  6.850,6.805,0.045,0.045,2.0,6.805,0.045
-XLKKKDPUVUIHEL_on_O00591_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_O14764_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P14867_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P18505_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P18507_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P28472_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P31644_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P34903_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P47869_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P47870_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P48169_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_P78334_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_Q16445_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLKKKDPUVUIHEL_on_Q99928_WT,Low,ChEMBL30,CHEMBL79203,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1,XLKKKDPUVUIHEL,XLKKKDPUVUIHEL-UHFFFAOYSA-N,"InChI=1S/C25H25N5/c26-13-18-5-8-25-24(10-18)28-16-30(25)21-6-7-23-22(12-21)19(14-27-23)11-20-2-1-9-29(20)15-17-3-4-17/h5-8,10,12,14,16-17,20,27H,1-4,9,11,15H2","""AuxInfo=1/0/N:24,23,29,30,4,17,16,5,25,8,21,13,2,19,27,10,28,3,20,22,12,14,15,7,6,1,18,9,26,11/E:(3,4)/rA:30NCCCCCCCNCNCCCCCCNCCCCCCCNCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;s20;s21;s22;s23;s24;s22s25;s26;s27;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654257,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-XLLJAPMXDNKGQJ_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,69093928;CHEMBL2206447;CHEMBL2206447,COc1cc(F)cc(F)c1C1CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1,XLLJAPMXDNKGQJ,XLLJAPMXDNKGQJ-UHFFFAOYSA-N,"InChI=1S/C22H23ClF2N4O/c1-30-18-12-15(24)11-16(25)20(18)14-4-7-28(8-5-14)17-6-9-29-19(10-13-2-3-13)26-27-22(29)21(17)23/h6,9,11-14H,2-5,7-8,10H2,1H3","""AuxInfo=1/0/N:1,24,25,12,30,28,13,29,27,22,7,4,23,11,5,8,15,3,21,10,16,18,17,6,9,20,19,14,26,2/E:(2,3)(4,5)(7,8)/rA:30COCCCFCCFCCCCNCCClCNNCCCCCNCCCC/rB:s1;s2;d3;s4;s5;d5;s7;s8;s3d8;s10;s11;s12;s13;s14;d15;s16;s16;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s15d27;s14;s11s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:713855;CHEMBL2215921;CHEMBL2215923,PMID:22992024,2012.0,PubChemAID:713855;PMID:22992024;PMID:22992024,2013;2012;2012,0;1;0,0;0;1,0,0,1;0;0,,=,  8.252;  8.250;  8.160,8.221,0.043,0.03,3.0,8.25,0.002
-XLPREVCRVGMZKS_on_O15399_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_O60391_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLPREVCRVGMZKS_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365641,N=C(N)NN=Cc1ccccc1F,XLPREVCRVGMZKS,XLPREVCRVGMZKS-UHFFFAOYSA-N,"InChI=1S/C8H9FN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)","""AuxInfo=1/1/N:9,10,8,11,6,7,12,2,13,1,3,5,4/E:(10,11)/rA:13NCNNNCCCCCCCF/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s12;/rC:;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.130,4.13,0.0,0.0,1.0,4.13,0.0
-XLQSRTOHPZFYPV_on_P14867_WT,Low,ChEMBL30,CHEMBL2315214,NCc1c(Cl)n(O)nc1,XLQSRTOHPZFYPV,XLQSRTOHPZFYPV-UHFFFAOYSA-N,"InChI=1S/C4H6ClN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCClNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.540;  4.530,4.535,0.005,0.005,2.0,4.535,0.005
-XLQSRTOHPZFYPV_on_P18507_WT,Low,ChEMBL30,CHEMBL2315214,NCc1c(Cl)n(O)nc1,XLQSRTOHPZFYPV,XLQSRTOHPZFYPV-UHFFFAOYSA-N,"InChI=1S/C4H6ClN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCClNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.540;  4.530,4.535,0.005,0.005,2.0,4.535,0.005
-XLQSRTOHPZFYPV_on_P47870_WT,Low,ChEMBL30,CHEMBL2315214,NCc1c(Cl)n(O)nc1,XLQSRTOHPZFYPV,XLQSRTOHPZFYPV-UHFFFAOYSA-N,"InChI=1S/C4H6ClN3O/c5-4-3(1-6)2-7-8(4)9/h2,9H,1,6H2","""AuxInfo=1/0/N:2,9,3,4,5,1,8,6,7/rA:9NCCCClNONC/rB:s1;s2;d3;s4;s4;s6;s6;s3d8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.540;  4.530,4.535,0.005,0.005,2.0,4.535,0.005
-XLRLCMRGUXGEKH_on_P41594_WT,Medium,ChEMBL30,CHEMBL3941908,CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,XLRLCMRGUXGEKH,XLRLCMRGUXGEKH-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O/c1-19(2)13-23(18(24)22(19)3)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-12H,13H2,1-3H3","""AuxInfo=1/0/N:23,24,1,11,10,13,18,8,14,17,7,19,21,12,9,15,6,3,22,16,20,2,5,4/E:(1,2)(6,7)(9,10)/rA:24CNCONCCCCCCCCCCFCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-XLROZSJFOXIJEV_on_O15399_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_O60391_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_Q12879_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_Q13224_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLROZSJFOXIJEV_on_Q14957_WT,Low,ChEMBL30,CHEMBL1193578,N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2,XLROZSJFOXIJEV,XLROZSJFOXIJEV-UHFFFAOYSA-N,"InChI=1S/C20H27N3/c21-19(22-18-9-17(18)16-4-2-1-3-5-16)23-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15,17-18H,6-12H2,(H3,21,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,17,19,21,5,23,15,22,18,16,20,7,6,4,2,14,1,3,13/E:(2,3)(4,5)(6,7,8)(10,11,12)(13,14,15)/rA:23NCNCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s4s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;s16;s17;s18;s19;s16s20;s14s20;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XLTFNNCXVBYBSX_on_O00591_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_O14764_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P14867_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P18505_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P18507_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P28472_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P31644_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P34903_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P47869_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P47870_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P48169_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_P78334_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_Q16445_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTFNNCXVBYBSX_on_Q99928_WT,Low,ChEMBL30,CHEMBL16171,COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O,XLTFNNCXVBYBSX,XLTFNNCXVBYBSX-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3","""AuxInfo=1/0/N:1,10,9,11,8,12,19,13,7,17,14,20,6,16,3,4,18,15,21,2,5/E:(3,4)(5,6)/rA:21COCCOCCCCCCCCCOCCOCCO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;d14;s4s14;d16;s17;s17;s3d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XLTUOJOTYDWBGU_on_P14867_WT,Low,ChEMBL30,CHEMBL3616635,C=CCc1ccc(OCC)c(-c2cc(CC=C)c(O)c(N)c2)c1,XLTUOJOTYDWBGU,XLTUOJOTYDWBGU-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h4-5,9-13,22H,1-2,6-8,21H2,3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;d16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.670,4.67,0.0,0.0,1.0,4.67,0.0
-XLTUOJOTYDWBGU_on_P18507_WT,Low,ChEMBL30,CHEMBL3616635,C=CCc1ccc(OCC)c(-c2cc(CC=C)c(O)c(N)c2)c1,XLTUOJOTYDWBGU,XLTUOJOTYDWBGU-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h4-5,9-13,22H,1-2,6-8,21H2,3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;d16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.670,4.67,0.0,0.0,1.0,4.67,0.0
-XLTUOJOTYDWBGU_on_P47870_WT,Low,ChEMBL30,CHEMBL3616635,C=CCc1ccc(OCC)c(-c2cc(CC=C)c(O)c(N)c2)c1,XLTUOJOTYDWBGU,XLTUOJOTYDWBGU-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h4-5,9-13,22H,1-2,6-8,21H2,3H3","""AuxInfo=1/0/N:1,17,10,2,16,9,3,15,5,6,23,13,22,4,14,12,11,20,7,18,21,19,8/rA:23CCCCCCCOCCCCCCCCCCOCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s7;s11;d12;s13;s14;s15;d16;d14;s18;s18;s20;s12d20;s4d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3619098,PMID:26410663,2015.0,PMID:26410663,2015,0,1,0,0,0,,=,  4.670,4.67,0.0,0.0,1.0,4.67,0.0
-XMAVSBZHAITTTC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403589;71713326,O=C(c1cccc(Cl)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,XMAVSBZHAITTTC,XMAVSBZHAITTTC-UHFFFAOYSA-N,"InChI=1S/C21H15ClN2OS/c22-17-8-4-7-16(13-17)21(25)24-12-11-18-19(14-24)26-20(23-18)10-9-15-5-2-1-3-6-15/h1-8,13H,11-12,14H2","""AuxInfo=1/0/N:23,22,24,5,21,25,4,6,19,18,12,11,9,15,20,3,7,13,14,17,2,8,26,10,1,16/E:(2,3)(5,6)/rA:26OCCCCCCClCNCCCCCSCCCCCCCCCN/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;d13;s10s14;s14;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s13d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  8.060;  8.060,8.06,0.0,0.0,2.0,8.06,0.0
-XMBHTBQFNNIYCN_on_P41594_WT,High,ChEMBL30,CHEMBL257313,Cc1cn2cc(C(N)=O)cc2c(C#Cc2ccccc2F)n1,XMBHTBQFNNIYCN,XMBHTBQFNNIYCN-UHFFFAOYSA-N,"InChI=1S/C17H12FN3O/c1-11-9-21-10-13(17(19)22)8-16(21)15(20-11)7-6-12-4-2-3-5-14(12)18/h2-5,8-10H,1H3,(H2,19,22)","""AuxInfo=1/1/N:1,17,18,16,19,14,13,10,3,5,2,15,6,20,12,11,7,21,8,22,4,9/rA:22CCCNCCCNOCCCCCCCCCCCFN/rB:s1;d2;s3;s4;d5;s6;s7;d7;s6;s4d10;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s20;s2d12;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-XMBSSAPUXAATEP_on_P41594_WT,High,ChEMBL30,CHEMBL3644400,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ccc3,XMBSSAPUXAATEP,XMBSSAPUXAATEP-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,25,27,23,24,11,12,18,19,14,3,7,22,10,21,17,16,15,5,2,9,4,8,13,20,6,1/E:(4,5)(6,7)/rA:27OCCNCNCNCCCCNCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XMBSSAPUXAATEP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644400,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ccc3,XMBSSAPUXAATEP,XMBSSAPUXAATEP-UHFFFAOYSA-N,"InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2","""AuxInfo=1/0/N:26,25,27,23,24,11,12,18,19,14,3,7,22,10,21,17,16,15,5,2,9,4,8,13,20,6,1/E:(4,5)(6,7)/rA:27OCCNCNCNCCCCNCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.650,6.65,0.0,0.0,1.0,6.65,0.0
-XMCZQFIGXDUMNK_on_Q05586_WT,Low,ChEMBL30,CHEMBL296601,c1ccc(CCCNC2CCc3c(cccc3)CC2)cc1,XMCZQFIGXDUMNK,XMCZQFIGXDUMNK-UHFFFAOYSA-N,"InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2","""AuxInfo=1/0/N:1,2,21,15,16,6,3,20,5,14,17,18,11,19,10,7,4,13,12,9,8/E:(2,3)(4,5)(7,8)(10,11)(12,13)(14,15)(18,19)/rA:21CCCCCCCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s13;s9s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-XMCZQFIGXDUMNK_on_Q13224_WT,High,ChEMBL30,CHEMBL296601,c1ccc(CCCNC2CCc3c(cccc3)CC2)cc1,XMCZQFIGXDUMNK,XMCZQFIGXDUMNK-UHFFFAOYSA-N,"InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2","""AuxInfo=1/0/N:1,2,21,15,16,6,3,20,5,14,17,18,11,19,10,7,4,13,12,9,8/E:(2,3)(4,5)(7,8)(10,11)(12,13)(14,15)(18,19)/rA:21CCCCCCCNCCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s13;s9s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4610803,PMID:25458498,2014.0,PMID:31843460,2020,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-XMDHIHAVEVYYTH_on_Q14416_WT,High,ChEMBL30,CHEMBL192977,CC1CC2C(C(=O)O)C2C1(N)C(=O)O,XMDHIHAVEVYYTH,XMDHIHAVEVYYTH-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c1-3-2-4-5(7(11)12)6(4)9(3,10)8(13)14/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,4,5,9,6,12,10,11,7,8,13,14/E:(11,12)(13,14)/rA:14CCCCCCOOCCNCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s2s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL836552;CHEMBL839634,PMID:15887967,2005.0,PMID:15887967,2005,1;0,0,0,0;1,0,,=,  5.760;  6.010,5.885,0.125,0.125,2.0,5.885,0.125
-XMDHIHAVEVYYTH_on_Q14832_WT,High,ChEMBL30,CHEMBL192977,CC1CC2C(C(=O)O)C2C1(N)C(=O)O,XMDHIHAVEVYYTH,XMDHIHAVEVYYTH-UHFFFAOYSA-N,"InChI=1S/C9H13NO4/c1-3-2-4-5(7(11)12)6(4)9(3,10)8(13)14/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:1,3,2,4,5,9,6,12,10,11,7,8,13,14/E:(11,12)(13,14)/rA:14CCCCCCOOCCNCOO/rB:s1;s2;s3;s4;s5;d6;s6;s4s5;s2s9;s10;s10;d12;s12;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL839635;CHEMBL836553,PMID:15887967,2005.0,PMID:15887967,2005,0;1,0,0,1;0,0,,=,  6.840;  5.010,5.925,0.915,0.915,2.0,5.925,0.915
-XMDLTKGXRPVDSY_on_O15303_WT,High,ChEMBL30,CHEMBL2381643;CHEMBL2381642,NC1(C(=O)O)CC(O)C2C(C(=O)O)C21,XMDLTKGXRPVDSY,XMDLTKGXRPVDSY-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL2382644;CHEMBL2382646,PMID:23675965,2013.0,PMID:23675965,2013,1;0,0;1,0,0,0,,=,  5.520;  5.360,5.44,0.08,0.08,2.0,5.44,0.08
-XMDLTKGXRPVDSY_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2381642;CHEMBL2381643;CHEMBL2381642;CHEMBL2381643;CHEMBL2381642;CHEMBL2381643;11084869,NC1(C(=O)O)CC(O)C2C(C(=O)O)C21,XMDLTKGXRPVDSY,XMDLTKGXRPVDSY-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2383450;CHEMBL2383450;CHEMBL3869549;CHEMBL4719943;CHEMBL4719943;CHEMBL3869549;PubChemAID:748171,PMID:23675965,2013.0,PMID:23675965;PMID:23675965;PMID:27836401;PMID:28002967;PMID:28002967;PMID:27836401;PubChemAID:748171,2013;2013;2016;2016;2016;2016;2014,0;0;0;1;1;0;0,1;1;0;0;0;0;0,0,0;0;1;0;0;1;0,0;0;0;0;0;0;1,,=,  8.120;  8.120;  6.780;  7.650;  8.070;  6.640;  8.125,7.644,0.612,0.25,7.0,8.07,0.055
-XMDLTKGXRPVDSY_on_Q14832_WT,High,ChEMBL30;ChEMBL30;ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL2381642;CHEMBL2381643;CHEMBL2381643;CHEMBL2381642;11084869,NC1(C(=O)O)CC(O)C2C(C(=O)O)C21,XMDLTKGXRPVDSY,XMDLTKGXRPVDSY-UHFFFAOYSA-N,"InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)","""AuxInfo=1/1/N:6,7,9,10,14,11,3,2,1,8,12,13,4,5/E:(11,12)(13,14)/rA:14NCCOOCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s7;s9;s10;d11;s11;s2s9s10;/rC:;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4719944;CHEMBL4719944;CHEMBL2383344;CHEMBL2383344;PubChemAID:748167,PMID:23675965,2013.0,PMID:28002967;PMID:28002967;PMID:23675965;PMID:23675965;PubChemAID:748167,2016;2016;2013;2013;2014,1;1;0;0;0,0;0;1;1;0,0,0,0;0;0;0;1,,=,  7.950;  8.200;  8.180;  7.850;  8.180,8.072000000000001,0.14400000000000002,0.07200000000000001,5.0,8.18,0.02
-XMEKCOQJJFUWHE_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647565,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2OC)c1,XMEKCOQJJFUWHE,XMEKCOQJJFUWHE-UHFFFAOYSA-N,"InChI=1S/C21H19FN4O3S/c1-4-26-12-23-20-17(11-24-25-21(20)26)13-5-8-18(22)16(9-13)15-7-6-14(30(3,27)28)10-19(15)29-2/h5-12H,4H2,1-3H3","""AuxInfo=1/0/N:1,29,23,2,13,20,19,14,30,26,10,4,12,21,18,17,11,15,27,6,7,16,5,9,8,3,24,25,28,22/E:(27,28)/CRV:30.6/rA:30CCNCNCCNNCCCCCCFCCCCCSCOOCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;s22;d22;d22;s21;s18d26;s27;s28;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-XMHKNZSVBBBYCC_on_P41594_WT,High,ChEMBL30,CHEMBL3897831,O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(F)cc(F)cc2)O1,XMHKNZSVBBBYCC,XMHKNZSVBBBYCC-UHFFFAOYSA-N,"InChI=1S/C20H14F4N2O2/c21-14-3-4-15(16(22)6-14)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)","""AuxInfo=1/1/N:8,9,26,27,6,23,11,15,16,18,7,10,5,24,20,21,4,19,2,12,25,22,13,14,17,3,1,28/E:(7,8)(23,24)/rA:28OCNCCCCCCCCCFFCCNCCCCFCCFCCO/rB:d1;s2;s3;s4;d5;s6;s7;t8;s9;s10;s11;s12;s12;s10s12;d7;s16;s5d17;s4;s19;d20;s21;s21;d23;s24;s24;s20d26;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  7.160;  7.230,7.195,0.035,0.035,2.0,7.195,0.035
-XMKGSMFESCANHT_on_O15399_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.090;  5.780,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_O60391_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.090;  5.780,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.780;  5.090,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_Q05586_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.780;  5.090,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_Q12879_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.090;  5.780,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_Q13224_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748788;CHEMBL748787,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.090;  5.780,5.435,0.345,0.345,2.0,5.435,0.345
-XMKGSMFESCANHT_on_Q14957_WT,Low,ChEMBL30,CHEMBL145362,O=C(O)C1CN(Cc2n[nH]nn2)CCN1,XMKGSMFESCANHT,XMKGSMFESCANHT-UHFFFAOYSA-N,"InChI=1S/C7H12N6O2/c14-7(15)5-3-13(2-1-8-5)4-6-9-11-12-10-6/h5,8H,1-4H2,(H,14,15)(H,9,10,11,12)","""AuxInfo=1/1/N:14,13,5,7,4,8,2,15,9,12,10,11,6,1,3/E:(9,10)(11,12)(14,15)/rA:15OCOCCNCCNNNNCCN/rB:d1;s2;s2;s4;s5;s6;s7;d8;s9;s10;s8d11;s6;s13;s4s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748787;CHEMBL748788,DOI:10.1016/S0960-894X(00)80089-X,1993.0,DOI:10.1016/S0960-894X(00)80089-X,1993,1,0,0,0,0,,=,  5.780;  5.090,5.435,0.345,0.345,2.0,5.435,0.345
-XMLLCLHYZOZSEG_on_P14867_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-XMLLCLHYZOZSEG_on_P18507_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL677034;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.420;  7.710;  6.800;  7.450,7.595,0.58,0.335,4.0,7.58,0.455
-XMLLCLHYZOZSEG_on_P28472_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680669;CHEMBL677034;CHEMBL680432;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.420;  6.800;  7.710;  7.450,7.595,0.58,0.335,4.0,7.58,0.455
-XMLLCLHYZOZSEG_on_P31644_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-XMLLCLHYZOZSEG_on_P34903_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-XMLLCLHYZOZSEG_on_P47869_WT,Low,ChEMBL30,CHEMBL334246,Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1,XMLLCLHYZOZSEG,XMLLCLHYZOZSEG-UHFFFAOYSA-N,"InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)","""AuxInfo=1/1/N:1,24,26,23,27,17,18,14,2,25,22,15,10,11,9,6,12,5,16,19,28,8,7,20,3,21,13,4/E:(2,3)(4,5)(6,7)(19,20)/rA:28CCNOCCNNCCCCOCCNCCNNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s15s18;d12;s6s9s20;s11;s22;s23;s10s24;s25;s22s26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.450,7.45,0.0,0.0,1.0,7.45,0.0
-XMLYYZVUKWYDDG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3981651,N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)ccc1,XMLYYZVUKWYDDG,XMLYYZVUKWYDDG-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O2/c22-17-5-2-6-20(10-17)28-14-18-11-19-13-25(7-8-26(19)24-18)21(27)16-4-1-3-15(9-16)12-23/h1-6,9-11H,7-8,13-14H2","""AuxInfo=1/0/N:27,21,28,26,20,22,9,10,4,17,23,2,25,14,3,5,18,13,24,16,6,19,1,12,8,11,7,15/rA:28NCCCCCONCCNNCCOCCCFCCCCCCCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;s18;d18;s20;s16d21;s13;s11d23;s8s24;d5;s26;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-XMNSDFJQYSFCDF_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684121,CN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O,XMNSDFJQYSFCDF,XMNSDFJQYSFCDF-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O/c1-20-10-9-16-15(17(20)21)8-7-14(19-16)6-5-12-3-2-4-13(18)11-12/h2-4,7-8,11H,9-10H2,1H3","""AuxInfo=1/0/N:1,17,18,16,11,10,8,7,4,3,13,12,14,9,6,5,20,15,19,2,21/rA:21CNCCCCCCCCCCCCFCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s5d9;s2s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687120,PMID:21315585,2011.0,PMID:21315585,2011,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-XMPGJQRGABEVNV_on_P18507_WT,Low,ChEMBL30,CHEMBL365317,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(I)cc2)n1,XMPGJQRGABEVNV,XMPGJQRGABEVNV-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2IN2O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCICCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-XMPGJQRGABEVNV_on_P47869_WT,Low,ChEMBL30,CHEMBL365317,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(I)cc2)n1,XMPGJQRGABEVNV,XMPGJQRGABEVNV-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2IN2O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCICCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-XMPGJQRGABEVNV_on_P47870_WT,Low,ChEMBL30,CHEMBL365317,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(I)cc2)n1,XMPGJQRGABEVNV,XMPGJQRGABEVNV-UHFFFAOYSA-N,"InChI=1S/C18H13Cl2IN2O2/c1-2-25-18(24)15-10-23(16-8-5-12(19)9-14(16)20)17(22-15)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,15,20,23,16,12,7,18,13,21,10,6,9,17,4,14,11,22,25,8,5,3/E:(3,4)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCICCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-XMPKEIYDTXWNTM_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1672233;51003232,COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl,XMPKEIYDTXWNTM,XMPKEIYDTXWNTM-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O3S/c1-25-16-8-11(21-18(24)15-9-26-10-20-15)6-7-14(16)22-17(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,22,23,21,24,14,15,4,10,12,5,20,25,16,9,3,18,7,26,13,6,17,19,8,2,11/rA:26COCCCNCOCCSCNCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;d5;s14;s3d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441;PubChemAID:577305,PMID:21247167,2011.0,PMID:21247167;PubChemAID:577305,2011,0,1;0,0,0,0;1,,=,  6.070;  6.073,6.072,0.002,0.002,2.0,6.072,0.002
-XMXWQEOSRWRHAD_on_P41594_WT,High,ChEMBL30,CHEMBL3702450,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1,XMXWQEOSRWRHAD,XMXWQEOSRWRHAD-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-28-13-16-12-25(14-24-16)21-10-20-19-7-3-6-17(15-4-2-5-15)18(19)8-9-26(20)22(27)11-23-21/h3,6-7,10,12,14-15H,2,4-5,8-9,11,13H2,1H3","""AuxInfo=1/0/N:1,23,18,22,24,19,17,14,13,26,9,5,3,27,21,4,20,15,16,25,7,10,8,28,6,12,11,2/E:(4,5)/rA:28COCCCNCNCCONCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s22;s21s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.050,8.05,0.0,0.0,1.0,8.05,0.0
-XMXWQEOSRWRHAD_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702450,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1,XMXWQEOSRWRHAD,XMXWQEOSRWRHAD-UHFFFAOYSA-N,"InChI=1S/C22H24N4O2/c1-28-13-16-12-25(14-24-16)21-10-20-19-7-3-6-17(15-4-2-5-15)18(19)8-9-26(20)22(27)11-23-21/h3,6-7,10,12,14-15H,2,4-5,8-9,11,13H2,1H3","""AuxInfo=1/0/N:1,23,18,22,24,19,17,14,13,26,9,5,3,27,21,4,20,15,16,25,7,10,8,28,6,12,11,2/E:(4,5)/rA:28COCCCNCNCCONCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;s21;s22;s21s23;s12s16;s7w?25;s6;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-XMYHKZONDUFBIM_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL179839;11663312,O=C1c2c(cc(OCc3cc(CSc4ccncc4)ccc3)c(Cl)c2Cl)CC1C1CCCC1,XMYHKZONDUFBIM,XMYHKZONDUFBIM-UHFFFAOYSA-N,"InChI=1S/C27H25Cl2NO2S/c28-25-23(14-20-13-22(19-6-1-2-7-19)27(31)24(20)26(25)29)32-15-17-4-3-5-18(12-17)16-33-21-8-10-30-11-9-21/h3-5,8-12,14,19,22H,1-2,6-7,13,15-16H2","""AuxInfo=1/0/N:31,32,21,22,20,30,33,15,19,16,18,10,27,5,8,12,9,11,29,4,14,28,6,3,23,25,2,24,26,17,1,7,13/E:(1,2)(6,7)(8,9)(10,11)/rA:33OCCCCCOCCCCCSCCCNCCCCCCClCClCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s20;s9d21;s6;s23;s3d23;s25;s4;s2s27;s28;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.780;  6.783,6.782,0.002,0.002,2.0,6.782,0.002
-XNDWKUXGHHKXDO_on_P41594_WT,Low,ChEMBL30,CHEMBL595932,O=C(c1ccc(Nc2cc(Cl)ccc2)nc1)N1CCCCC1,XNDWKUXGHHKXDO,XNDWKUXGHHKXDO-UHFFFAOYSA-N,"InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(11-14)20-16-8-7-13(12-19-16)17(22)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20)","""AuxInfo=1/1/N:20,19,21,13,12,14,4,5,18,22,9,16,3,10,8,6,2,11,15,7,17,1/E:(2,3)(9,10)/rA:22OCCCCCNCCCClCCCNCNCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d8;s9;s10;d10;s12;s8d13;s6;s3d15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XNEDJARLTYELDZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912634,CON(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,XNEDJARLTYELDZ,XNEDJARLTYELDZ-UHFFFAOYSA-N,"InChI=1S/C19H18FN3O2/c1-23(25-2)11-12-3-8-15-16(13-4-6-14(20)7-5-13)10-18(19(21)24)22-17(15)9-12/h3-10H,11H2,1-2H3,(H2,21,24)","""AuxInfo=1/1/N:4,1,7,12,17,13,16,8,25,18,5,6,11,14,9,10,24,19,20,15,21,23,3,22,2/E:(4,5)(6,7)/rA:25CONCCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s11d16;d10;s18;s19;s20;d20;d19;s9s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-XNEFLZMHAJUXPW_on_Q14416_WT,High,ChEMBL30,CHEMBL3221843,CCCn1ccc2c(cccc2NCc2cccc(OC(F)(F)F)c2)c1=O,XNEFLZMHAJUXPW,XNEFLZMHAJUXPW-UHFFFAOYSA-N,"InChI=1S/C20H19F3N2O2/c1-2-10-25-11-9-16-17(19(25)26)7-4-8-18(16)24-13-14-5-3-6-15(12-14)27-20(21,22)23/h3-9,11-12,24H,2,10,13H2,1H3","""AuxInfo=1/0/N:1,2,17,10,16,18,9,11,6,3,5,25,14,15,19,7,8,12,26,21,22,23,24,13,4,27,20/E:(21,22,23)/rA:27CCCNCCCCCCCCNCCCCCCOCFFFCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;d15;s16;d17;s18;s19;s20;s21;s21;s21;s15d19;s4s8;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-XNGHHIXTKBGWJS_on_P41594_WT,High,ChEMBL30,CHEMBL3633944,CCC(=O)N1CCCn2nc(COc3ccccc3)cc12,XNGHHIXTKBGWJS,XNGHHIXTKBGWJS-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3","""AuxInfo=1/0/N:1,2,17,16,18,7,15,19,6,8,20,12,11,14,21,3,10,5,9,4,13/E:(4,5)(7,8)/rA:21CCCONCCCNNCCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;s11;s5s9d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.480;  6.480,6.48,0.0,0.0,2.0,6.48,0.0
-XNHMKZFHSKOQKR_on_Q14416_WT,High,ChEMBL30,CHEMBL607313,Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(F)c2,XNHMKZFHSKOQKR,XNHMKZFHSKOQKR-UHFFFAOYSA-N,"InChI=1S/C19H18ClF4N5/c1-27-15-4-2-12(21)10-14(15)25-17(27)11-28-6-8-29(9-7-28)18-13(19(22,23)24)3-5-16(20)26-18/h2-5,10H,6-9,11H2,1H3","""AuxInfo=1/0/N:1,26,14,25,13,6,21,7,20,29,4,27,15,23,24,11,3,9,16,12,28,17,18,19,22,10,2,5,8/E:(6,7)(8,9)(22,23,24)/rA:29CNCCNCCNCNCClCCCCFFFCCNCCCCCFC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;s11;d11;s13;s9d14;s15;s16;s16;s16;s8;s5s20;d3;s22;s2d23;s24;d25;s26;s27;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-XNIDSAVZEZPOBT_on_P14867_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-XNIDSAVZEZPOBT_on_P18507_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681249;CHEMBL681637;CHEMBL681481;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.070;  7.770;  6.500;  8.470,7.702000000000001,0.737,0.426,4.0,7.92,0.35
-XNIDSAVZEZPOBT_on_P28472_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681481;CHEMBL681637;CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.470;  6.500;  7.770;  8.070,7.702999999999999,0.737,0.426,4.0,7.92,0.35
-XNIDSAVZEZPOBT_on_P31644_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681481,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-XNIDSAVZEZPOBT_on_P34903_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-XNIDSAVZEZPOBT_on_P47869_WT,Low,ChEMBL30,CHEMBL294600,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,XNIDSAVZEZPOBT,XNIDSAVZEZPOBT-UHFFFAOYSA-N,"InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,24,22,6,9,3,7,19,8,20,17,12,21,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-XNJYGULBIRHRNN_on_O15399_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.951;  4.960,4.455,0.505,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_O60391_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.960;  3.951,4.455,0.504,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.951;  4.960,4.455,0.505,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.951;  4.960,4.455,0.505,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.951;  4.960,4.455,0.505,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  3.951;  4.960,4.455,0.505,0.504,2.0,4.455,0.504
-XNJYGULBIRHRNN_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180226,CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N,XNJYGULBIRHRNN,XNJYGULBIRHRNN-UHFFFAOYSA-N,"InChI=1S/C18H32N6/c1-13(2)9-23(17(19)20)11-15-6-5-7-16(8-15)12-24(18(21)22)10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H3,19,20)(H3,21,22)","""AuxInfo=1/1/N:1,3,16,17,9,8,10,21,4,14,6,12,2,15,7,11,22,18,23,24,19,20,5,13/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/rA:24CCCCNCCCCCCCNCCCCCNNCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;s12;s13;s14;s15;s15;s13;d18;s18;s7d11;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.960;  3.951,4.455,0.504,0.504,2.0,4.455,0.504
-XNNXOBKNOQSNCB_on_P14867_WT,Low,ChEMBL30,CHEMBL196675,CCOc1cc(-c2cc(Br)ccc2)cnn1,XNNXOBKNOQSNCB,XNNXOBKNOQSNCB-UHFFFAOYSA-N,"InChI=1S/C12H11BrN2O/c1-2-16-12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,8,5,14,7,6,9,4,10,15,16,3/rA:16CCOCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.070,8.07,0.0,0.0,1.0,8.07,0.0
-XNNXOBKNOQSNCB_on_P18507_WT,Low,ChEMBL30,CHEMBL196675,CCOc1cc(-c2cc(Br)ccc2)cnn1,XNNXOBKNOQSNCB,XNNXOBKNOQSNCB-UHFFFAOYSA-N,"InChI=1S/C12H11BrN2O/c1-2-16-12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,8,5,14,7,6,9,4,10,15,16,3/rA:16CCOCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882866;CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.070;  8.240;  7.720,8.01,0.21600000000000003,0.153,3.0,8.07,0.17
-XNNXOBKNOQSNCB_on_P28472_WT,Low,ChEMBL30,CHEMBL196675,CCOc1cc(-c2cc(Br)ccc2)cnn1,XNNXOBKNOQSNCB,XNNXOBKNOQSNCB-UHFFFAOYSA-N,"InChI=1S/C12H11BrN2O/c1-2-16-12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,8,5,14,7,6,9,4,10,15,16,3/rA:16CCOCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.070;  7.720;  8.240,8.01,0.21600000000000003,0.153,3.0,8.07,0.17
-XNNXOBKNOQSNCB_on_P31644_WT,Low,ChEMBL30,CHEMBL196675,CCOc1cc(-c2cc(Br)ccc2)cnn1,XNNXOBKNOQSNCB,XNNXOBKNOQSNCB-UHFFFAOYSA-N,"InChI=1S/C12H11BrN2O/c1-2-16-12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,8,5,14,7,6,9,4,10,15,16,3/rA:16CCOCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-XNNXOBKNOQSNCB_on_P34903_WT,Low,ChEMBL30,CHEMBL196675,CCOc1cc(-c2cc(Br)ccc2)cnn1,XNNXOBKNOQSNCB,XNNXOBKNOQSNCB-UHFFFAOYSA-N,"InChI=1S/C12H11BrN2O/c1-2-16-12-7-10(8-14-15-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3","""AuxInfo=1/0/N:1,2,12,13,11,8,5,14,7,6,9,4,10,15,16,3/rA:16CCOCCCCCCBrCCCCNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d9;s11;s7d12;d6;s14;s4d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-XNOMHUDLVRWWLV_on_P41594_WT,High,ChEMBL30,CHEMBL1289113,O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2Cl)CC1,XNOMHUDLVRWWLV,XNOMHUDLVRWWLV-UHFFFAOYSA-N,"InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2","""AuxInfo=1/0/N:18,17,7,11,8,10,14,24,13,25,21,5,3,6,19,22,16,2,23,20,9,15,12,1,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25OCCOCCCCNCCNCCNCCCCFCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292091;CHEMBL2433919,PMID:21067920,2010.0,PMID:21067920;PMID:24050755,2010;2013,0,0;1,0,1;0,0,,=,  5.620;  6.260,5.94,0.32,0.32,2.0,5.94,0.32
-XNOOGVVHDONCJW_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL184098;44395381,CCCc1c(OCCCC(=O)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,XNOOGVVHDONCJW,XNOOGVVHDONCJW-UHFFFAOYSA-N,"InChI=1S/C22H24N4O5/c1-3-5-18-19(12-11-17(14(2)27)21(18)29)30-13-4-6-20(28)31-16-9-7-15(8-10-16)22-23-25-26-24-22/h7-12,29H,3-6,13H2,1-2H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,28,2,8,3,9,15,22,14,23,25,24,7,27,16,13,26,4,5,10,30,17,18,21,19,20,29,11,31,6,12/E:(7,8)(9,10)(23,24)(25,26)/rA:31CCCCCOCCCCOOCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s16;d17;s18;s19;s17d20;s16;s13d22;s5;d24;s25;s26;s27;d27;s4d26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829294;PubChemAID:240228,PMID:15454221,2004.0,PMID:15454221;PubChemAID:240228,2004;2010,0,1;0,0,0,0;1,,=,  5.120;  5.124,5.122000000000001,0.002,0.002,2.0,5.122000000000001,0.002
-XNPIPCPSLVREEH_on_O15399_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_O60391_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_Q05586_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_Q12879_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_Q13224_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNPIPCPSLVREEH_on_Q14957_WT,Low,ChEMBL30,CHEMBL79665,Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1,XNPIPCPSLVREEH,XNPIPCPSLVREEH-UHFFFAOYSA-N,"InChI=1S/C18H27N3/c1-12-7-5-6-8-14(12)20-16(19)21-15-11-13-9-10-18(15,4)17(13,2)3/h5-8,13,15H,9-11H2,1-4H3,(H3,19,20,21)","""AuxInfo=1/1/N:1,16,17,14,20,19,21,18,11,12,9,2,10,3,8,5,15,13,6,4,7/E:(2,3)/rA:21CCCNCNNCCCCCCCCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;s8;s9;s10;s11;s8s12;s13;s10s13;s15;s15;s3;d18;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-XNQABEZTXJIFHG_on_P31644_WT,High,ChEMBL30,CHEMBL3676506,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccccc2)no1,XNQABEZTXJIFHG,XNQABEZTXJIFHG-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3S/c1-15-18(20(23-27-15)16-5-3-2-4-6-16)14-26-19-8-7-17(13-22-19)21(25)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,8,7,13,17,14,16,18,4,2,21,9,3,6,20,10,19,27,12,11,5,28,15/E:(3,4)(5,6)(9,10)(11,12)/rA:28CCCCOCCCCCONCCSCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-XNQUJXWNCWGVRX_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3937590,Fc1cc(Nc2c3ncccc3n[nH]2)cc(F)c1F,XNQUJXWNCWGVRX,XNQUJXWNCWGVRX-UHFFFAOYSA-N,"InChI=1S/C12H7F3N4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)","""AuxInfo=1/1/N:10,11,9,3,15,4,2,16,12,18,7,6,1,17,19,8,5,13,14/E:(4,5)(7,8)(13,14)/rA:19FCCCNCCNCCCCNNCCFCF/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s16;s2d16;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-XNSZTLNSVWTRSI_on_P41594_WT,High,ChEMBL30,CHEMBL1808896,Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1,XNSZTLNSVWTRSI,XNSZTLNSVWTRSI-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O2S/c1-12-7-17(13-3-2-4-14(21)8-13)23-10-16(12)18-9-15(25)11-24(18)20(26)19-22-5-6-27-19/h2-8,10,15,18,25H,9,11H2,1H3","""AuxInfo=1/0/N:1,7,6,8,25,26,3,11,16,13,19,2,5,9,17,14,4,15,23,21,10,24,12,20,18,22,27/rA:27CCCCCCCCCClCNCCCCCOCNCOCNCCS/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s5d9;d4;s12;s2d13;s14;s15;s16;s17;s17;s15s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  7.100;  6.640,6.87,0.23,0.23,2.0,6.87,0.23
-XNVGVQDPTGBTAR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3963950,Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)cc(C)n1,XNVGVQDPTGBTAR,XNVGVQDPTGBTAR-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O2/c1-12-9-15(10-13(2)26-12)19-17-5-7-29-8-6-28(17)20(27-19)14-3-4-16(22)18(11-14)30-21(23,24)25/h3-4,9-11H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,29,15,16,7,11,8,10,3,27,25,2,28,14,4,17,6,19,5,13,21,18,22,23,24,30,26,12,9,20/E:(1,2)(9,10)(12,13)(23,24,25)/rA:30CCCCCCCCOCCNCCCCCFCOCFFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s21;s21;s14d19;s5d13;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-XNYPQCWCRODOET_on_P41594_WT,High,ChEMBL30,CHEMBL3633960,O=C(c1nccs1)N1CCCn2nc(COc3ccccc3)cc12,XNYPQCWCRODOET,XNYPQCWCRODOET-UHFFFAOYSA-N,"InChI=1S/C17H16N4O2S/c22-17(16-18-7-10-24-16)20-8-4-9-21-15(20)11-13(19-21)12-23-14-5-2-1-3-6-14/h1-3,5-7,10-11H,4,8-9,12H2","""AuxInfo=1/0/N:20,19,21,10,18,22,5,9,11,6,23,15,14,17,24,3,2,4,13,8,12,1,16,7/E:(2,3)(5,6)/rA:24OCCNCCSNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s8s12d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  6.590;  6.590,6.59,0.0,0.0,2.0,6.59,0.0
-XNZOOJHXUQOXMW_on_P31644_WT,High,ChEMBL30,CHEMBL3676469,CCC(CC)CNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,XNZOOJHXUQOXMW,XNZOOJHXUQOXMW-UHFFFAOYSA-N,"InChI=1S/C23H27N3O3/c1-4-17(5-2)13-25-23(27)19-11-12-21(24-14-19)28-15-20-16(3)29-26-22(20)18-9-7-6-8-10-18/h6-12,14,17H,4-5,13,15H2,1-3H3,(H,25,27)","""AuxInfo=1/1/N:1,5,18,2,4,25,24,26,23,27,11,12,6,29,15,17,3,22,10,16,13,21,8,28,7,20,9,14,19/E:(1,2)(4,5)(7,8)(9,10)/rA:29CCCCCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;d10;s11;d12;s13;s14;s15;d16;s17;s17;s19;s16d20;s21;d22;s23;d24;s25;s22d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-XNZYJIGZEOJXTK_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11232604;CHEMBL360728,CCCc1c(C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1,XNZYJIGZEOJXTK,XNZYJIGZEOJXTK-UHFFFAOYSA-N,"InChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3","""AuxInfo=1/0/N:1,6,19,2,3,15,21,10,16,20,9,24,22,5,14,4,11,23,17,8,12,7,13,18/E:(6,7)(9,10)/rA:24CCCCCCNCCCCCOCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s5;d7;s8;d9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s17;s14s20;d11;s8s22;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:241789;CHEMBL874546,PMID:15771457,2005.0,PubChemAID:241789;PMID:15771457,2010;2005,0;1,0,0,0,1;0,,=,  8.222;  8.220,8.221,0.001,0.001,2.0,8.221,0.001
-XOEHUMQUEDPNCJ_on_P14867_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XOEHUMQUEDPNCJ_on_P18507_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.720;  6.640;  6.690,7.017,0.498,0.35200000000000004,3.0,6.69,0.05
-XOEHUMQUEDPNCJ_on_P28472_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682709;CHEMBL680669;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.690;  7.720;  6.640,7.017,0.498,0.35200000000000004,3.0,6.69,0.05
-XOEHUMQUEDPNCJ_on_P31644_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-XOEHUMQUEDPNCJ_on_P34903_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-XOEHUMQUEDPNCJ_on_P47869_WT,Low,ChEMBL30,CHEMBL123471,Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1,XOEHUMQUEDPNCJ,XOEHUMQUEDPNCJ-UHFFFAOYSA-N,"InChI=1S/C26H23N7O2/c1-15-6-5-9-19(27-15)14-34-25-21-17-12-10-16(11-13-17)20(21)23-29-30-24(33(23)31-25)26-28-22(32-35-26)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,4,3,17,21,5,31,33,30,34,7,2,32,29,16,6,27,28,15,26,12,9,13,35,14,25,24,10,22,11,8,23/E:(3,4)(7,8)(10,11)(12,13)/rA:35CCCCCCCOCNNCCNCCCCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;d12;s24;s11d25;s26;s9d27;s28;s29;s30;s27s31;s32;s29s33;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-XOFGLRKYNSZCQZ_on_P14867_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2163548;60194849,C=CCC1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O,XOFGLRKYNSZCQZ,XOFGLRKYNSZCQZ-UHFFFAOYSA-N,"InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)","""AuxInfo=1/1/N:1,24,2,7,6,8,3,17,5,9,18,25,21,4,10,11,12,13,14,20,15,16,23,19,26,22/E:(17,18,19)(21,22)/rA:26CCCCCCCCCCCFFFNNCCONCONCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s11;s11;s10;s10w?15;s5d9;s4;d18;s18;s20;d21;s21;s23;s4s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2168415;PubChemAID:698848,PMID:22734650,2012.0,PMID:22734650;PubChemAID:698848,2012;2013,1;0,0,0,0,0;1,,=,  5.420;  5.420,5.42,0.0,0.0,2.0,5.42,0.0
-XOFGLRKYNSZCQZ_on_P18507_WT,Low,ChEMBL30,CHEMBL2163549;CHEMBL2163548;CHEMBL2163549;CHEMBL2163548;CHEMBL2163548;CHEMBL2163550,C=CCC1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O,XOFGLRKYNSZCQZ,XOFGLRKYNSZCQZ-UHFFFAOYSA-N,"InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)","""AuxInfo=1/1/N:1,24,2,7,6,8,3,17,5,9,18,25,21,4,10,11,12,13,14,20,15,16,23,19,26,22/E:(17,18,19)(21,22)/rA:26CCCCCCCCCCCFFFNNCCONCONCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s11;s11;s10;s10w?15;s5d9;s4;d18;s18;s20;d21;s21;s23;s4s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2168418;CHEMBL2168420;CHEMBL2168420;CHEMBL2168418;CHEMBL2168422;CHEMBL4686875,PMID:22734650,2012.0,PMID:22734650;PMID:22734650;PMID:22734650;PMID:22734650;PMID:22734650;PMID:32247113,2012;2012;2012;2012;2012;2020,0;0;0;0;0;1,1;1;1;1;1;0,0,0,0,,=,  4.850;  4.890;  4.210;  5.920;  5.680;  6.400,5.325,0.741,0.331,6.0,5.285,0.535
-XOFGLRKYNSZCQZ_on_P28472_WT,High,ChEMBL30,CHEMBL2163548,C=CCC1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O,XOFGLRKYNSZCQZ,XOFGLRKYNSZCQZ-UHFFFAOYSA-N,"InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)","""AuxInfo=1/1/N:1,24,2,7,6,8,3,17,5,9,18,25,21,4,10,11,12,13,14,20,15,16,23,19,26,22/E:(17,18,19)(21,22)/rA:26CCCCCCCCCCCFFFNNCCONCONCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s11;s11;s10;s10w?15;s5d9;s4;d18;s18;s20;d21;s21;s23;s4s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL2168416,PMID:22734650,2012.0,PMID:22734650,2012,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-XOFGLRKYNSZCQZ_on_P47870_WT,Low,ChEMBL30,CHEMBL2163548;CHEMBL2163548;CHEMBL2163549,C=CCC1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O,XOFGLRKYNSZCQZ,XOFGLRKYNSZCQZ-UHFFFAOYSA-N,"InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)","""AuxInfo=1/1/N:1,24,2,7,6,8,3,17,5,9,18,25,21,4,10,11,12,13,14,20,15,16,23,19,26,22/E:(17,18,19)(21,22)/rA:26CCCCCCCCCCCFFFNNCCONCONCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s11;s11;s10;s10w?15;s5d9;s4;d18;s18;s20;d21;s21;s23;s4s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2168420;CHEMBL2168422;CHEMBL2168420,PMID:22734650,2012.0,PMID:22734650,2012,0,1,0,0,0,,=,  4.890;  5.680;  4.210,4.927,0.601,0.425,3.0,4.89,0.68
-XOGPKKXGNMLTLC_on_P18507_WT,Low,ChEMBL30,CHEMBL211115,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)cc(F)c1,XOGPKKXGNMLTLC,XOGPKKXGNMLTLC-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(12-6-13(22)8-14(23)7-12)17-9-26-28-20(31(17)29-21)15-4-2-3-5-16(15)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,32,29,22,7,4,25,27,30,13,18,23,6,24,12,9,28,31,19,5,21,3,20,10,2,11,8/E:(6,7)(13,14)(22,23)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s30;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-XOGPKKXGNMLTLC_on_P28472_WT,Low,ChEMBL30,CHEMBL211115,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)cc(F)c1,XOGPKKXGNMLTLC,XOGPKKXGNMLTLC-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(12-6-13(22)8-14(23)7-12)17-9-26-28-20(31(17)29-21)15-4-2-3-5-16(15)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,32,29,22,7,4,25,27,30,13,18,23,6,24,12,9,28,31,19,5,21,3,20,10,2,11,8/E:(6,7)(13,14)(22,23)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s30;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-XOGPKKXGNMLTLC_on_P34903_WT,Low,ChEMBL30,CHEMBL211115,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)cc(F)c1,XOGPKKXGNMLTLC,XOGPKKXGNMLTLC-UHFFFAOYSA-N,"InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(12-6-13(22)8-14(23)7-12)17-9-26-28-20(31(17)29-21)15-4-2-3-5-16(15)24/h2-9,11H,10H2,1H3","""AuxInfo=1/0/N:1,15,16,14,17,26,32,29,22,7,4,25,27,30,13,18,23,6,24,12,9,28,31,19,5,21,3,20,10,2,11,8/E:(6,7)(13,14)(22,23)/rA:32CNNCNCCOCNNCCCCCCCFNNCCCCCCFCCFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;s27;d27;s29;s30;s25d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,<,  7.481,7.481,0.0,0.0,1.0,7.481,0.0
-XOIQCSSEVOFYSB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL201787;11623479,Cc1nc(C#Cc2cc(-c3ccc(F)cc3)cnc2)cs1,XOIQCSSEVOFYSB,XOIQCSSEVOFYSB-UHFFFAOYSA-N,"InChI=1S/C17H11FN2S/c1-12-20-17(11-21-12)7-2-13-8-15(10-19-9-13)14-3-5-16(18)6-4-14/h3-6,8-11H,1H3","""AuxInfo=1/0/N:1,6,11,16,12,15,5,8,19,17,20,2,7,10,9,13,4,14,18,3,21/E:(3,4)(5,6)/rA:21CCNCCCCCCCCCCFCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s13;s10d15;d9;s17;s7d18;d4;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050;PubChemAID:259883,PMID:16451073,2006.0,PMID:16451073;PubChemAID:259883,2006;2010,1;0,0,0,0,0;1,,=,  6.790;  6.790,6.79,0.0,0.0,2.0,6.79,0.0
-XOKZLFDJOBRPQW_on_P31644_WT,High,ChEMBL30,CHEMBL3681616,O=C(NCC1(O)CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1,XOKZLFDJOBRPQW,XOKZLFDJOBRPQW-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O4/c21-16-4-1-13(2-5-16)18-15(11-28-24-18)10-27-17-6-3-14(9-22-17)19(25)23-12-20(26)7-8-20/h1-6,9,11,26H,7-8,10,12H2,(H,23,25)","""AuxInfo=1/1/N:21,26,10,22,25,11,7,8,28,14,16,4,20,9,15,23,12,19,2,5,24,27,3,18,1,6,13,17/E:(1,2)(4,5)(7,8)/rA:28OCNCCOCCCCCCOCCCONCCCCCFCCNC/rB:d1;s2;s3;s4;s5;s5;s5s7;s2;d9;s10;d11;s12;s13;s14;d15;s16;s17;s15d18;s19;d20;s21;d22;s23;s23;s20d25;s12;s9d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-XONXNXXKDNVVSJ_on_P41594_WT,High,ChEMBL30,CHEMBL257238,FC(F)(F)c1cn2ccnc(C#Cc3ccccc3)c2c1,XONXNXXKDNVVSJ,XONXNXXKDNVVSJ-UHFFFAOYSA-N,"InChI=1S/C16H9F3N2/c17-16(18,19)13-10-15-14(20-8-9-21(15)11-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H","""AuxInfo=1/0/N:17,16,18,15,19,13,12,9,8,21,6,14,5,11,20,2,1,3,4,10,7/E:(2,3)(4,5)(17,18,19)/rA:21FCFFCCNCCNCCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7s11;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-XOPZEZAYWQXOFC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL106909,CCS(=O)(=O)N(Cc1cnccc1)c1cc(OCc2ccccc2)ccc1,XOPZEZAYWQXOFC,XOPZEZAYWQXOFC-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-10-7-13-22-15-19)20-11-6-12-21(14-20)26-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3","""AuxInfo=1/0/N:1,2,22,21,23,26,12,20,24,13,27,25,11,15,9,7,18,19,8,14,16,10,6,4,5,17,3/E:(4,5)(8,9)(24,25)/CRV:27.6/rA:27CCSOONCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;d16;s25;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-XOQJPJSVYVFMJK_on_P41594_WT,High,ChEMBL30,CHEMBL3633952,O=C(c1ccccc1F)N1CCCn2nc(COc3ccccc3)cc12,XOQJPJSVYVFMJK,XOQJPJSVYVFMJK-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-18-10-5-4-9-17(18)20(25)23-11-6-12-24-19(23)13-15(22-24)14-26-16-7-2-1-3-8-16/h1-5,7-10,13H,6,11-12,14H2","""AuxInfo=1/0/N:22,21,23,5,6,12,20,24,4,7,11,13,25,17,16,19,3,8,26,2,9,15,10,14,1,18/E:(2,3)(7,8)/rA:26OCCCCCCCFNCCCNNCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s10s14d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.950;  5.950,5.95,0.0,0.0,2.0,5.95,0.0
-XOQQXEHVSQPOKL_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11684927;CHEMBL179876,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cccc(CSc3ccncc3)c1)c2,XOQQXEHVSQPOKL,XOQQXEHVSQPOKL-UHFFFAOYSA-N,"InChI=1S/C28H27Cl2NO2S/c1-28(21-7-2-3-8-21)15-20-14-23(25(29)26(30)24(20)27(28)32)33-16-18-5-4-6-19(13-18)17-34-22-9-11-31-12-10-22/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3","""AuxInfo=1/0/N:1,5,6,22,21,23,4,7,28,32,29,31,33,34,8,19,25,20,24,9,3,27,17,10,15,13,11,2,16,14,30,12,18,26/E:(2,3)(7,8)(9,10)(11,12)/rA:34CCCCCCCCCCCOCClCClCOCCCCCCCSCCCNCCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;d22;s23;s24;s25;s26;d27;s28;d29;s30;s27d31;s20d24;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  6.250;  6.250,6.25,0.0,0.0,2.0,6.25,0.0
-XORHKQBNMFEJKZ_on_P18507_WT,Low,ChEMBL30,CHEMBL394421,CCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,XORHKQBNMFEJKZ,XORHKQBNMFEJKZ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-2-3-4-9-7-21(20-19-9)12-10(14)5-8(6-11(12)15)13(16,17)18/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,17,6,12,5,9,18,8,13,10,19,14,15,16,21,20,7/E:(5,6)(10,11)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XORHKQBNMFEJKZ_on_P47869_WT,Low,ChEMBL30,CHEMBL394421,CCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,XORHKQBNMFEJKZ,XORHKQBNMFEJKZ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-2-3-4-9-7-21(20-19-9)12-10(14)5-8(6-11(12)15)13(16,17)18/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,17,6,12,5,9,18,8,13,10,19,14,15,16,21,20,7/E:(5,6)(10,11)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XORHKQBNMFEJKZ_on_P47870_WT,Low,ChEMBL30,CHEMBL394421,CCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,XORHKQBNMFEJKZ,XORHKQBNMFEJKZ-UHFFFAOYSA-N,"InChI=1S/C13H12Cl2F3N3/c1-2-3-4-9-7-21(20-19-9)12-10(14)5-8(6-11(12)15)13(16,17)18/h5-7H,2-4H2,1H3","""AuxInfo=1/0/N:1,2,3,4,11,17,6,12,5,9,18,8,13,10,19,14,15,16,21,20,7/E:(5,6)(10,11)(14,15)(16,17,18)/rA:21CCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;s9;d11;s12;s13;s13;s13;s12;s8d17;s18;s7;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-XOTFPBSIGVOVNZ_on_O15399_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_O60391_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOTFPBSIGVOVNZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL167548,CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O,XOTFPBSIGVOVNZ,XOTFPBSIGVOVNZ-UHFFFAOYSA-N,"InChI=1S/C10H7Cl2N3O4S/c1-20(18,19)15-10(17)8-9(16)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,16)(H,15,17)","""AuxInfo=1/1/N:1,17,12,15,13,10,11,8,19,6,16,14,9,18,5,20,7,3,4,2/E:(18,19)/CRV:20.6/rA:20CSOONCOCNCCCCClCClCNCO/rB:s1;d2;d2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;s13;s15;s10d15;s11;s8d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749508,DOI:10.1016/S0960-894X(00)80095-5,1993.0,DOI:10.1016/S0960-894X(00)80095-5,1993,1,0,0,0,0,,=,  6.440,6.44,0.0,0.0,1.0,6.44,0.0
-XOUDFZJCSDKXLG_on_P41594_WT,High,ChEMBL30,CHEMBL252956,O=C1CCCc2c1ccc(C#Cc1ccccc1)n2,XOUDFZJCSDKXLG,XOUDFZJCSDKXLG-UHFFFAOYSA-N,"InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2","""AuxInfo=1/0/N:16,15,17,4,14,18,5,3,12,11,9,8,13,10,7,6,2,19,1/E:(2,3)(5,6)/rA:19OCCCCCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;CHEMBL2410491;CHEMBL927734,PMID:18173231,2008.0,PMID:21295468;PMID:21295468;PMID:23856046;PMID:18173231,2011;2011;2013;2008,0,1,0,0,0,,=,  7.850;  7.850;  7.300;  6.760,7.44,0.452,0.261,4.0,7.575,0.275
-XOUVHFBEGYPDIX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3934889,CC1(C)CN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1,XOUVHFBEGYPDIX,XOUVHFBEGYPDIX-UHFFFAOYSA-N,"InChI=1S/C18H14F2N2O2/c1-18(2)11-22(17(23)24-18)16-8-4-12(10-21-16)3-5-13-9-14(19)6-7-15(13)20/h4,6-10H,11H2,1-2H3","""AuxInfo=1/0/N:1,3,10,8,11,16,17,7,13,20,4,9,12,14,18,6,22,2,15,19,21,5,23,24/E:(1,2)/rA:24CCCCNCCCCCCCCCFCCCFCNCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;s9;t10;s11;d12;s13;s14;d14;s16;s12d17;s18;s9;s6d20;s5;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-XOYHYXWCQCHIJH_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760306,c1cnc(C2(N3CCCCC3)CCCCC2)cc1,XOYHYXWCQCHIJH,XOYHYXWCQCHIJH-UHFFFAOYSA-N,"InChI=1S/C16H24N2/c1-4-10-16(11-5-1,15-9-3-6-12-17-15)18-13-7-2-8-14-18/h3,6,9,12H,1-2,4-5,7-8,10-11,13-14H2","""AuxInfo=1/0/N:14,9,18,13,15,1,8,10,17,12,16,2,7,11,4,5,3,6/E:(4,5)(7,8)(10,11)(13,14)/rA:18CCNCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160;CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.600;  5.100,5.35,0.25,0.25,2.0,5.35,0.25
-XOYHYXWCQCHIJH_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760306,c1cnc(C2(N3CCCCC3)CCCCC2)cc1,XOYHYXWCQCHIJH,XOYHYXWCQCHIJH-UHFFFAOYSA-N,"InChI=1S/C16H24N2/c1-4-10-16(11-5-1,15-9-3-6-12-17-15)18-13-7-2-8-14-18/h3,6,9,12H,1-2,4-5,7-8,10-11,13-14H2","""AuxInfo=1/0/N:14,9,18,13,15,1,8,10,17,12,16,2,7,11,4,5,3,6/E:(4,5)(7,8)(10,11)(13,14)/rA:18CCNCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-XOYHYXWCQCHIJH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760306,c1cnc(C2(N3CCCCC3)CCCCC2)cc1,XOYHYXWCQCHIJH,XOYHYXWCQCHIJH-UHFFFAOYSA-N,"InChI=1S/C16H24N2/c1-4-10-16(11-5-1,15-9-3-6-12-17-15)18-13-7-2-8-14-18/h3,6,9,12H,1-2,4-5,7-8,10-11,13-14H2","""AuxInfo=1/0/N:14,9,18,13,15,1,8,10,17,12,16,2,7,11,4,5,3,6/E:(4,5)(7,8)(10,11)(13,14)/rA:18CCNCCNCCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s6s10;s5;s12;s13;s14;s5s15;s4;s1d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-XPCPEMOBOVRMDQ_on_P41594_WT,High,ChEMBL30,CHEMBL1808883,Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1,XPCPEMOBOVRMDQ,XPCPEMOBOVRMDQ-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-14-9-19(15-5-3-6-17(23)10-15)24-12-18(14)20-7-4-8-26(20)22(28)16-11-21(27)25(2)13-16/h3,5-6,9-10,12,16,20H,4,7-8,11,13H2,1-2H3","""AuxInfo=1/0/N:1,27,7,17,6,8,16,18,3,11,23,13,28,2,5,22,9,14,4,15,24,20,10,12,26,19,25,21/rA:28CCCCCCCCCClCNCCCCCCNCOCCCONCC/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s5d9;d4;s12;s2d13;s14;s15;s16;s17;s15s18;s19;d20;s20;s22;s23;d24;s24;s26;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  4.800;  5.000,4.9,0.1,0.1,2.0,4.9,0.1
-XPCQOECMDMFUBN_on_P18507_WT,Low,ChEMBL30,CHEMBL1077409,Cc1c2Cn3ncnc3-c3c(c(F)ccc3)-n2cn1,XPCQOECMDMFUBN,XPCQOECMDMFUBN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)9-3-2-4-10(14)12(9)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,15,16,14,4,7,18,2,10,12,3,11,9,13,8,19,6,17,5/rA:19CCCCNNCNCCCCFCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;s12;d12;s14;s10d15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-XPCQOECMDMFUBN_on_P28472_WT,Low,ChEMBL30,CHEMBL1077409,Cc1c2Cn3ncnc3-c3c(c(F)ccc3)-n2cn1,XPCQOECMDMFUBN,XPCQOECMDMFUBN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)9-3-2-4-10(14)12(9)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,15,16,14,4,7,18,2,10,12,3,11,9,13,8,19,6,17,5/rA:19CCCCNNCNCCCCFCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;s12;d12;s14;s10d15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-XPCQOECMDMFUBN_on_P31644_WT,Low,ChEMBL30,CHEMBL1077409,Cc1c2Cn3ncnc3-c3c(c(F)ccc3)-n2cn1,XPCQOECMDMFUBN,XPCQOECMDMFUBN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)9-3-2-4-10(14)12(9)18(11)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,15,16,14,4,7,18,2,10,12,3,11,9,13,8,19,6,17,5/rA:19CCCCNNCNCCCCFCCCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;s12;d12;s14;s10d15;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-XPERDKCCRFZTSB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907125,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1,XPERDKCCRFZTSB,XPERDKCCRFZTSB-UHFFFAOYSA-N,"InChI=1S/C22H20F4N4O/c23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)12-30-8-7-28-11-20(30)22(24,25)26/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,29,5,23,18,17,7,10,14,6,30,4,24,2,25,11,26,27,28,1,22,31,19,3/E:(2,3)(4,5)(24,25,26)/rA:31NCOCCCCCCCFCCCCCCCNCCNCCCFFFCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s19s23;s24;s25;s25;s25;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-XPFKYNBOVJBSDC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71719558;CHEMBL2346737,Cc1nc(C(=O)Nc2nc(Cl)ncc2)c(C)n1-c1ccc(F)cc1,XPFKYNBOVJBSDC,XPFKYNBOVJBSDC-UHFFFAOYSA-N,"InChI=1S/C16H13ClFN5O/c1-9-14(15(24)21-13-7-8-19-16(17)22-13)20-10(2)23(9)12-5-3-11(18)4-6-12/h3-8H,1-2H3,(H,19,21,22,24)","""AuxInfo=1/1/N:16,1,20,23,19,24,14,13,15,2,21,18,8,4,5,10,11,22,12,3,7,9,17,6/E:(3,4)(5,6)/rA:24CCNCCONCNCClNCCCCNCCCCFCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;d10;s12;s8d13;d4;s15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.394;  7.390,7.392,0.002,0.002,2.0,7.392,0.002
-XPIYQMPFRXDKFN_on_P41594_WT,High,ChEMBL30,CHEMBL3702420,CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cn(C)nc4)C3=C2)cn1,XPIYQMPFRXDKFN,XPIYQMPFRXDKFN-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-15(2)20-13-28(14-25-20)22-9-21-19-6-4-5-17(16-10-26-27(3)12-16)18(19)7-8-29(21)23(30)11-24-22/h4-6,9-10,12-15H,7-8,11H2,1-3H3","""AuxInfo=1/0/N:1,3,24,18,19,17,14,13,28,26,9,22,5,29,2,21,20,15,16,4,27,7,10,8,30,25,23,6,12,11/E:(1,2)/rA:30CCCCCNCNCCONCCCCCCCCCCNCNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;s23;s23;s21d25;s12s16;s7w?27;s6;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-XPIYQMPFRXDKFN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702420,CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cn(C)nc4)C3=C2)cn1,XPIYQMPFRXDKFN,XPIYQMPFRXDKFN-UHFFFAOYSA-N,"InChI=1S/C23H24N6O/c1-15(2)20-13-28(14-25-20)22-9-21-19-6-4-5-17(16-10-26-27(3)12-16)18(19)7-8-29(21)23(30)11-24-22/h4-6,9-10,12-15H,7-8,11H2,1-3H3","""AuxInfo=1/0/N:1,3,24,18,19,17,14,13,28,26,9,22,5,29,2,21,20,15,16,4,27,7,10,8,30,25,23,6,12,11/E:(1,2)/rA:30CCCCCNCNCCONCCCCCCCCCCNCNCCCCN/rB:s1;s2;s2;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;s23;s23;s21d25;s12s16;s7w?27;s6;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XPJJHVREQSPFHR_on_P41594_WT,High,ChEMBL30,CHEMBL271676,CC(=O)N1CCN(Cc2cn3cc(C)nc(C#Cc4ccccc4)c3c2)CC1,XPJJHVREQSPFHR,XPJJHVREQSPFHR-UHFFFAOYSA-N,"InChI=1S/C23H24N4O/c1-18-15-27-17-21(16-25-10-12-26(13-11-25)19(2)28)14-23(27)22(24-18)9-8-20-6-4-3-5-7-20/h3-7,14-15,17H,10-13,16H2,1-2H3","""AuxInfo=1/0/N:14,1,22,21,23,20,24,18,17,6,27,5,28,26,12,8,10,13,2,19,9,16,25,15,7,4,11,3/E:(4,5)(6,7)(10,11)(12,13)/rA:28CCONCCNCCCNCCCNCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;d12;s13;s13;d15;s16;t17;s18;d19;s20;d21;s22;s19d23;s11s16;s9d25;s7;s4s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-XPJOMFBGKIABQW_on_Q13255_WT,Medium,ChEMBL30,CHEMBL254575,COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1,XPJOMFBGKIABQW,XPJOMFBGKIABQW-UHFFFAOYSA-N,"InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)","""AuxInfo=1/1/N:1,17,5,20,4,21,14,13,18,10,6,3,15,19,12,8,11,9,7,2,16/E:(3,4)(5,6)/rA:21COCCCCNCNCNCCCCOCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s16;s15;s8s12d18;s6;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL945120,PMID:17489573,2007.0,PMID:17489573,2007,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-XPMIHXVVTLTNBT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107565,COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F,XPMIHXVVTLTNBT,XPMIHXVVTLTNBT-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-8-16(9-17(11-24)28-13)21-19-6-7-32-14(2)12-30(19)22(29-21)15-4-5-18(23(25,26)27)20(10-15)31-3/h4-5,8-10,14H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,23,1,26,27,19,20,10,17,4,15,24,11,22,5,9,14,28,18,3,8,6,29,16,30,31,32,13,7,25,2,21/E:(25,26,27)/rA:32COCCCCNCCCCCNCCFCCCCOCCCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s15;s9d14;d8;s18;s19;s20;s21;s22;s22;s6s18s24;d5;s26;s3d27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.360,8.36,0.0,0.0,1.0,8.36,0.0
-XPNBCSLTUFAWSU_on_O15399_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_O60391_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_Q05586_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_Q12879_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_Q13224_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNBCSLTUFAWSU_on_Q14957_WT,Low,ChEMBL30,CHEMBL291169,O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2,XPNBCSLTUFAWSU,XPNBCSLTUFAWSU-UHFFFAOYSA-N,"InChI=1S/C9H3ClF2N2O3/c10-4-3(11)1-2-6(5(4)12)13-9(16)7(14-17)8(2)15/h1H,(H2,13,15,16)","""AuxInfo=1/1/N:17,6,15,13,11,7,3,4,9,14,16,12,8,2,5,10,1/rA:17ONCCOCCNCOCFCClCFC/rB:d1;s2;d3;s4;s4;d6;s7;s3d8;s9;s7;s11;d11;s13;s13;s15;s6d15;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.040,6.04,0.0,0.0,1.0,6.04,0.0
-XPNOAVSDZGSPNR_on_O00591_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_O14764_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P14867_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P18505_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P18507_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P28472_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  4.840;  5.700,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P31644_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P34903_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P47869_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P47870_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P48169_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_P78334_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  4.840;  5.700,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  4.840;  5.700,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  4.840;  5.700,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_Q16445_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPNOAVSDZGSPNR_on_Q99928_WT,Low,ChEMBL30,CHEMBL58160,COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XPNOAVSDZGSPNR,XPNOAVSDZGSPNR-UHFFFAOYSA-N,"InChI=1S/C15H15N3O2/c1-8-11(15(19)20-3)13(16)12-9-6-4-5-7-10(9)18(2)14(12)17-8/h4-7H,1-3H3,(H2,16,17)","""AuxInfo=1/1/N:7,20,1,17,16,18,15,6,13,14,5,10,11,9,3,12,8,19,4,2/rA:20COCOCCCNCCCNCCCCCCNC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s10;d13;s14;d15;s16;s13d17;s9s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  4.840,5.27,0.43,0.43,2.0,5.27,0.43
-XPOUXVRKZDTDJY_on_P41594_WT,High,ChEMBL30,CHEMBL382491,Fc1cc(C#Cc2csc(Br)n2)ccc1,XPOUXVRKZDTDJY,XPOUXVRKZDTDJY-UHFFFAOYSA-N,"InChI=1S/C11H5BrFNS/c12-11-14-10(7-15-11)5-4-8-2-1-3-9(13)6-8/h1-3,6-7H","""AuxInfo=1/0/N:14,13,15,5,6,3,8,4,2,7,10,11,1,12,9/rA:15FCCCCCCCSCBrNCCC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;s7d10;d4;s13;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-XPRGZRFECLBYKZ_on_P14867_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P18505_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P28472_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P31644_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P34903_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P47869_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P47870_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_P48169_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XPRGZRFECLBYKZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL3354673,O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1,XPRGZRFECLBYKZ,XPRGZRFECLBYKZ-UHFFFAOYSA-N,"InChI=1S/C18H13N3O2/c22-17-13-3-1-2-4-15(13)20-10-14(17)18(23)21-12-6-5-11-7-8-19-16(11)9-12/h1-10,19H,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:20,19,21,18,11,12,8,9,5,23,7,4,16,13,17,6,14,2,10,22,3,15,1/rA:23OCNCCCCCCNCCCCOCCCCCCNC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s6s9;s7;s4d11;s2;d13;s14;s14;d16;s17;d18;s19;s16d20;s17;s13d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3382097,PMID:25441013,2014.0,PMID:25441013,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XQBJOQYHGLHGRJ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634431,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2,XQBJOQYHGLHGRJ,XQBJOQYHGLHGRJ-UHFFFAOYSA-N,"InChI=1S/C22H18N2O5/c1-12-5-4-6-15-18(12)22(27)24(21(15)26)16-8-7-14(11-17(16)28-3)23-20(25)19-13(2)9-10-29-19/h4-11H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:26,11,1,28,27,29,15,16,12,13,4,25,10,5,21,17,3,22,9,7,19,23,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.310;  7.310,7.31,0.0,0.0,2.0,7.31,0.0
-XQBJOQYHGLHGRJ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634431,COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2,XQBJOQYHGLHGRJ,XQBJOQYHGLHGRJ-UHFFFAOYSA-N,"InChI=1S/C22H18N2O5/c1-12-5-4-6-15-18(12)22(27)24(21(15)26)16-8-7-14(11-17(16)28-3)23-20(25)19-13(2)9-10-29-19/h4-11H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:26,11,1,28,27,29,15,16,12,13,4,25,10,5,21,17,3,22,9,7,19,23,6,18,8,20,24,2,14/rA:29COCCCNCOCCCCCOCCCNCOCCCOCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;s10;d12;s9s13;d5;s15;s3d16;s17;s18;d19;s19;d21;s18s22;d23;s22;s25;d25;s27;s21d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-XQBUQKXUAVFZEI_on_P41594_WT,Low,ChEMBL30,CHEMBL3655632,O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(C(F)(F)F)ccc1,XQBUQKXUAVFZEI,XQBUQKXUAVFZEI-UHFFFAOYSA-N,"InChI=1S/C16H10F3N5O2/c17-16(18,19)14-3-1-2-13(24-14)15(25)23-10-4-11(6-20-5-10)26-12-7-21-9-22-8-12/h1-9H,(H,23,25)","""AuxInfo=1/1/N:25,26,24,16,5,7,11,15,13,4,8,10,17,19,2,20,21,22,23,6,12,14,3,18,1,9/E:(7,8)(17,18,19)(21,22)/rA:26OCNCCNCCOCCNCNCCCNCCFFFCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;s20;s20;s20;d19;s24;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-XQCCADHVKCTQDD_on_Q14416_WT,High,ChEMBL30,CHEMBL4064589,FC(F)(F)c1c(-c2cc(Cl)c(NC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12,XQCCADHVKCTQDD,XQCCADHVKCTQDD-UHFFFAOYSA-N,"InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2","""AuxInfo=1/0/N:27,28,20,19,21,14,18,22,15,17,25,8,26,7,13,6,9,11,24,5,31,2,10,1,3,4,12,29,30,23,16/E:(1,2)(6,7)(9,10)(24,25,26)/rA:31FCFFCCCCCClCNCCCOCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s16;s13s17;s11;s7d19;s6;d21;s22;s23;s24;s25;s26;s26s27;d24;s29;s5s23d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040529;CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0;1,0;0;1;0,0;1;0;0,0,,=,  7.730;  8.300;  8.420;  7.730,8.045,0.318,0.184,4.0,8.015,0.285
-XQCGHSQBEZHHSW_on_Q14416_WT,High,ChEMBL30,CHEMBL1094416,COc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,XQCGHSQBEZHHSW,XQCGHSQBEZHHSW-UHFFFAOYSA-N,"InChI=1S/C17H17NO4/c1-20-14-7-9-15(10-8-14)21-12-16-11-18(17(19)22-16)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,4,22,5,21,10,8,12,3,6,9,18,11,19,2,7,20/E:(3,4)(5,6)(7,8)(9,10)/rA:22COCCCCOCCCNCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;d18;s9s18;s6;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-XQDIXUWHADHFDT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71453394;CHEMBL2164543,N#Cc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1,XQDIXUWHADHFDT,XQDIXUWHADHFDT-UHFFFAOYSA-N,InChI=1S/C15H7N5O/c16-8-10-5-11(9-17)7-12(6-10)15-19-14(20-21-15)13-3-1-2-4-18-13/h1-7H,"""AuxInfo=1/0/N:15,16,14,17,4,8,21,6,2,5,3,9,13,12,10,7,1,18,11,19,20/E:(6,7)(8,9)(10,11)(16,17)/rA:21NCCCCCNCCCNCCCCCCNNOC/rB:t1;s2;d3;s4;s5;t6;d5;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s10s19;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:697343;CHEMBL2166999,PMID:23046966,2012.0,PubChemAID:697343;PMID:23046966,2013;2012,0;1,0,0,0,1;0,,=,  6.754;  6.750,6.752000000000001,0.002,0.002,2.0,6.752000000000001,0.002
-XQHRCBXORFSYSR_on_P31644_WT,High,ChEMBL30,CHEMBL3681427,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2ccc(Cl)cc2)no1,XQHRCBXORFSYSR,XQHRCBXORFSYSR-UHFFFAOYSA-N,"InChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,28,8,24,27,7,14,18,15,17,19,4,2,22,9,25,13,3,6,21,10,26,20,12,29,11,16,5,30/E:(2,3)(5,6)(8,9)(10,11)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s25;s22d27;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-XQLNNYAUKUXNKV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,45268730;CHEMBL561554,NC(=O)c1cnc(C#Cc2ccccc2)cc1,XQLNNYAUKUXNKV,XQLNNYAUKUXNKV-UHFFFAOYSA-N,"InChI=1S/C14H10N2O/c15-14(17)12-7-9-13(16-10-12)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,(H2,15,17)","""AuxInfo=1/1/N:13,12,14,11,15,9,17,8,16,5,10,4,7,2,1,6,3/E:(2,3)(4,5)/rA:17NCOCCNCCCCCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:420101;CHEMBL1032756,PMID:19443216,2009.0,PubChemAID:420101;PMID:19443216,2010;2009,0,0;1,0,0,1;0,,=,  5.180;  5.180,5.18,0.0,0.0,2.0,5.18,0.0
-XQNOYQREYCKAIN_on_O00591_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_O14764_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P14867_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P18505_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P18507_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P28472_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P31644_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P34903_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P47869_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P47870_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P48169_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_P78334_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_Q16445_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQNOYQREYCKAIN_on_Q99928_WT,Low,ChEMBL30,CHEMBL53229,O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1,XQNOYQREYCKAIN,XQNOYQREYCKAIN-UHFFFAOYSA-N,"InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H","""AuxInfo=1/0/N:12,13,11,14,16,6,10,15,9,7,4,5,8,2,1,3/E:(15,16)/CRV:14.5/rA:16ON+O-CNCCNCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s7s10;s4d15;/rC:;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-XQPUTZNKLUGXEA_on_P31644_WT,High,ChEMBL30,CHEMBL3652873,CC1=NN=C(c2cc3c(cc(F)cc3)s2)c2c(cc3nc(O)oc3c2)C1,XQPUTZNKLUGXEA,XQPUTZNKLUGXEA-UHFFFAOYSA-N,"InChI=1S/C19H12FN3O2S/c1-9-4-11-5-14-15(25-19(24)21-14)8-13(11)18(23-22-9)17-6-10-2-3-12(20)7-16(10)26-17/h2-3,5-8H,4H2,1H3,(H,21,24)","""AuxInfo=1/1/N:1,14,13,26,18,7,10,25,2,8,17,11,16,19,24,9,6,5,21,12,20,3,4,22,23,15/rA:26CCNNCCCCCCCFCCSCCCCNCOOCCC/rB:s1;w?2;s3;w?4;s5;d6;s7;d8;s9;d10;s11;s11;s8d13;s6s9;s5;d16;s17;d18;s19;d20;s21;s21;s19s23;s16d24;s2s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705380,PATENT:US8778932B2,2014.0,PATENT:US8778932B2,2014,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-XQQLUFFVNPOANS_on_Q14416_WT,High,ChEMBL30,CHEMBL2029809,CCCCn1ccc(-c2ccc(Oc3c(C)nccc3)cc2)c(C#N)c1=O,XQQLUFFVNPOANS,XQQLUFFVNPOANS-UHFFFAOYSA-N,"InChI=1S/C22H21N3O2/c1-3-4-13-25-14-11-19(20(15-23)22(25)26)17-7-9-18(10-8-17)27-21-6-5-12-24-16(21)2/h5-12,14H,3-4,13H2,1-2H3","""AuxInfo=1/0/N:1,16,2,3,19,20,10,22,11,21,7,18,4,6,24,15,9,12,8,23,14,26,25,17,5,27,13/E:(7,8)(9,10)/rA:27CCCCNCCCCCCCOCCCNCCCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;d14;s15;s15;d17;s18;s14d19;s12;s9d21;d8;s23;t24;s5s23;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2033868,PMID:22364337,2012.0,PMID:22364337,2012,0,1,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-XQSNSBUMHQRAOH_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1095749;44155316,CCCCCCC1CN(c2cc(OC)ccc2)C(=O)O1,XQSNSBUMHQRAOH,XQSNSBUMHQRAOH-UHFFFAOYSA-N,"InChI=1S/C16H23NO3/c1-3-4-5-6-9-15-12-17(16(18)20-15)13-8-7-10-14(11-13)19-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3","""AuxInfo=1/0/N:1,14,2,3,4,5,16,17,6,15,11,8,10,12,7,18,9,19,13,20/rA:20CCCCCCCCNCCCOCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s12;s13;d12;s15;s10d16;s9;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265;PubChemAID:478890,PMID:20409708,2010.0,PMID:20409708;PubChemAID:478890,2010,0,1;0,0,0,0;1,,=,  6.190;  6.194,6.192,0.002,0.002,2.0,6.192,0.002
-XQTHYJXWUGYJIA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903609,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1,XQTHYJXWUGYJIA,XQTHYJXWUGYJIA-UHFFFAOYSA-N,"InChI=1S/C24H23FN6O/c25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31/h3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32)","""AuxInfo=1/1/N:21,22,16,8,13,9,12,15,20,30,5,18,29,27,25,17,7,10,23,14,6,31,4,2,11,1,26,28,32,19,24,3/E:(4,5)(6,7)/rA:32NCOCCCCCCCFCCCCCCCNCCCCNCNCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;s24d27;s19s23;d17;s14s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-XQUJTESAXUTXNH_on_O00591_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_O14764_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P14867_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P18505_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P18507_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P28472_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P31644_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P34903_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P47869_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P47870_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P48169_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_P78334_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_Q16445_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQUJTESAXUTXNH_on_Q99928_WT,Low,ChEMBL30,CHEMBL73167,CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1,XQUJTESAXUTXNH,XQUJTESAXUTXNH-UHFFFAOYSA-N,"InChI=1S/C19H17ClN2O2S/c1-11(23)17-10-15-16(25-17)4-2-3-12-9-18(24)22(21-19(12)15)14-7-5-13(20)6-8-14/h5-8,10,21H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,9,10,8,17,20,16,21,24,5,2,11,18,15,6,7,4,22,12,19,13,14,3,23,25/E:(5,6)(7,8)/rA:25CCOCCCCCCCCCNNCCCCClCCCOCS/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s6w?11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s14;d22;s11s22;s4s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL652511,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XQVPFMFFDRXBTC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3901084,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCSC(C(F)(F)F)C2)c3)cn1,XQVPFMFFDRXBTC,XQVPFMFFDRXBTC-UHFFFAOYSA-N,"InChI=1S/C20H20F3N5OS/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)","""AuxInfo=1/1/N:1,15,14,19,20,28,6,29,17,3,27,16,4,13,5,12,7,22,8,23,24,25,26,9,30,11,2,18,10,21/E:(21,22,23)/rA:30CNCCCCCCNONCCCCCCNCCSCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s23;s23;s18s22;s12d16;s4;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-XQXFLYIUHYKDHV_on_P14867_WT,Low,ChEMBL30,CHEMBL44428,Cc1csc(-c2cc(-c3cnncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,XQXFLYIUHYKDHV,XQXFLYIUHYKDHV-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(25-13)17-9-16(15-5-7-23-24-10-15)19-18-11-22-6-4-14(18)3-2-8-26(19)21(17)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,10,21,3,2,17,9,8,6,16,15,5,26,20,12,11,28,25,27,4/rA:28CCCSCCCCCCNNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677033,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-XQXFLYIUHYKDHV_on_P18507_WT,Low,ChEMBL30,CHEMBL44428,Cc1csc(-c2cc(-c3cnncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,XQXFLYIUHYKDHV,XQXFLYIUHYKDHV-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(25-13)17-9-16(15-5-7-23-24-10-15)19-18-11-22-6-4-14(18)3-2-8-26(19)21(17)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,10,21,3,2,17,9,8,6,16,15,5,26,20,12,11,28,25,27,4/rA:28CCCSCCCCCCNNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.080;  8.300,8.19,0.11,0.11,2.0,8.19,0.11
-XQXFLYIUHYKDHV_on_P28472_WT,Low,ChEMBL30,CHEMBL44428,Cc1csc(-c2cc(-c3cnncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,XQXFLYIUHYKDHV,XQXFLYIUHYKDHV-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(25-13)17-9-16(15-5-7-23-24-10-15)19-18-11-22-6-4-14(18)3-2-8-26(19)21(17)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,10,21,3,2,17,9,8,6,16,15,5,26,20,12,11,28,25,27,4/rA:28CCCSCCCCCCNNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677033;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.080;  8.300,8.19,0.11,0.11,2.0,8.19,0.11
-XQXFLYIUHYKDHV_on_P34903_WT,Low,ChEMBL30,CHEMBL44428,Cc1csc(-c2cc(-c3cnncc3)c3-c4c(ccnc4)CCCn3c2=O)n1,XQXFLYIUHYKDHV,XQXFLYIUHYKDHV-UHFFFAOYSA-N,"InChI=1S/C21H17N5OS/c1-13-12-28-20(25-13)17-9-16(15-5-7-23-24-10-15)19-18-11-22-6-4-14(18)3-2-8-26(19)21(17)27/h4-7,9-12H,2-3,8H2,1H3","""AuxInfo=1/0/N:1,23,22,18,14,19,13,24,7,10,21,3,2,17,9,8,6,16,15,5,26,20,12,11,28,25,27,4/rA:28CCCSCCCCCCNNCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-XQYCBNLGAYCTLX_on_P41594_WT,Low,ChEMBL30,CHEMBL225438,CN(C)c1c2c(ncc1)sc1c2ncn(-c2cc3n[nH]cc3cc2)c1=O,XQYCBNLGAYCTLX,XQYCBNLGAYCTLX-UHFFFAOYSA-N,"InChI=1S/C18H14N6OS/c1-23(2)13-5-6-19-17-14(13)15-16(26-17)18(25)24(9-20-15)11-4-3-10-8-21-22-12(10)7-11/h3-9H,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,23,24,9,8,17,21,14,22,16,18,4,5,12,11,6,25,7,13,20,19,2,15,26,10/E:(1,2)/rA:26CNCCCCNCCSCCNCNCCCNNCCCCCO/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s6;s10;s5d11;s12;d13;s14;s15;d16;s17;d18;s19;s20;s18d21;s22;s16d23;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XQYCBNLGAYCTLX_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11537814;CHEMBL225438,CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2cc3n[nH]cc3cc2)cn1,XQYCBNLGAYCTLX,XQYCBNLGAYCTLX-UHFFFAOYSA-N,"InChI=1S/C18H14N6OS/c1-23(2)13-5-6-19-17-14(13)15-16(26-17)18(25)24(9-20-15)11-4-3-10-8-21-22-12(10)7-11/h3-9H,1-2H3,(H,21,22)","""AuxInfo=1/1/N:1,3,23,24,5,6,17,21,25,22,16,18,4,9,10,11,8,13,7,26,20,19,2,15,14,12/E:(1,2)/rA:26CNCCCCNCCCCSCONCCCNNCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s19;s20;s18d21;s22;s16d23;s15;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.914;  6.910,6.912000000000001,0.002,0.002,2.0,6.912000000000001,0.002
-XQYOSFWYGIFQFP_on_P41594_WT,High,ChEMBL30,CHEMBL3644376,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)cn1,XQYOSFWYGIFQFP,XQYOSFWYGIFQFP-UHFFFAOYSA-N,"InChI=1S/C21H18N6O/c1-14-12-26(13-25-14)20-9-19-17-4-2-3-16(18-10-22-6-7-23-18)15(17)5-8-27(19)21(28)11-24-20/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,22,23,11,26,20,7,3,27,2,13,18,14,19,25,5,8,21,24,6,28,4,10,9/rA:28CCCNCNCCONCCCCCCCCCCNCCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-XQYOSFWYGIFQFP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644376,Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)cn1,XQYOSFWYGIFQFP,XQYOSFWYGIFQFP-UHFFFAOYSA-N,"InChI=1S/C21H18N6O/c1-14-12-26(13-25-14)20-9-19-17-4-2-3-16(18-10-22-6-7-23-18)15(17)5-8-27(19)21(28)11-24-20/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3","""AuxInfo=1/0/N:1,16,17,15,12,22,23,11,26,20,7,3,27,2,13,18,14,19,25,5,8,21,24,6,28,4,10,9/rA:28CCCNCNCCONCCCCCCCCCCNCCNCCCN/rB:s1;d2;s3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;d21;s22;s19d23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-XQYUBEDCTFABNP_on_P31644_WT,High,ChEMBL30,CHEMBL3681438,CC(C)NC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1,XQYUBEDCTFABNP,XQYUBEDCTFABNP-UHFFFAOYSA-N,"InChI=1S/C20H18F3N3O3/c1-12(2)25-19(27)14-8-9-16(24-10-14)28-11-15-17(13-6-4-3-5-7-13)26-29-18(15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,3,25,24,26,23,27,8,9,29,12,2,22,7,13,10,21,14,5,15,16,17,18,28,4,20,6,11,19/E:(1,2)(4,5)(6,7)(21,22,23)/rA:29CCCNCOCCCCOCCCCFFFONCCCCCCCNC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;d13;s14;s15;s15;s15;s14;s19;s13d20;s21;d22;s23;d24;s25;s22d26;s10;s7d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-XQYXLIFREHEULU_on_P41594_WT,High,ChEMBL30,CHEMBL3986762,CC(Oc1nnc(-c2cc(=O)n(C)cc2)n1C)c1noc(-c2cc(Cl)ccc2)n1,XQYXLIFREHEULU,XQYXLIFREHEULU-UHFFFAOYSA-N,"InChI=1S/C19H17ClN6O3/c1-11(16-21-18(29-24-16)13-5-4-6-14(20)9-13)28-19-23-22-17(26(19)3)12-7-8-25(2)15(27)10-12/h4-11H,1-3H3","""AuxInfo=1/0/N:1,13,17,27,28,26,15,14,23,9,2,8,22,24,10,18,7,21,4,25,29,6,5,19,12,16,11,3,20/rA:29CCOCNNCCCCONCCCNCCNOCCCCClCCCN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s10;s12;s12;s8d14;s4s7;s16;s2;d18;s19;s20;s21;d22;s23;s24;d24;s26;s22d27;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-XQZXVWQHFHFIIL_on_Q14416_WT,Low,ChEMBL30,CHEMBL325500,NC(Cc1ccccc1)(C(=O)O)C1CC1C(=O)O,XQZXVWQHFHFIIL,XQZXVWQHFHFIIL-UHFFFAOYSA-N,"InChI=1S/C13H15NO4/c14-13(12(17)18,10-6-9(10)11(15)16)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:7,6,8,5,9,14,3,4,15,13,16,10,2,1,17,18,11,12/E:(2,3)(4,5)(15,16)(17,18)/rA:18NCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XQZXVWQHFHFIIL_on_Q14832_WT,Low,ChEMBL30,CHEMBL325500,NC(Cc1ccccc1)(C(=O)O)C1CC1C(=O)O,XQZXVWQHFHFIIL,XQZXVWQHFHFIIL-UHFFFAOYSA-N,"InChI=1S/C13H15NO4/c14-13(12(17)18,10-6-9(10)11(15)16)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:7,6,8,5,9,14,3,4,15,13,16,10,2,1,17,18,11,12/E:(2,3)(4,5)(15,16)(17,18)/rA:18NCCCCCCCCCOOCCCCOO/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XRCGULJGUJOUTJ_on_P41594_WT,High,ChEMBL30,CHEMBL1808873,Cc1c(C2CCCN2C(=O)c2cncs2)cnc(-c2cc(Cl)ccc2)c1,XRCGULJGUJOUTJ,XRCGULJGUJOUTJ-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3OS/c1-13-8-17(14-4-2-5-15(21)9-14)23-10-16(13)18-6-3-7-24(18)20(25)19-11-22-12-26-19/h2,4-5,8-12,18H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,24,6,25,23,5,7,26,20,16,12,14,2,19,21,3,18,4,11,9,22,13,17,8,10,15/rA:26CCCCCCCNCOCCNCSCNCCCCClCCCC/rB:s1;d2;s3;s4;s5;s6;s4s7;s8;d9;s9;d11;s12;d13;s11s14;s3;d16;s17;s18;d19;s20;s21;d21;s23;s19d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055,PMID:21757343,2011.0,PMID:21757343,2011,1;0,0,0,0;1,0,,=,  8.700;  7.520,8.11,0.59,0.59,2.0,8.11,0.59
-XRDZGIHPCLFYIV_on_P18507_WT,Low,ChEMBL30,CHEMBL578817,Clc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,XRDZGIHPCLFYIV,XRDZGIHPCLFYIV-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,18,6,14,10,11,3,2,9,15,1,19,7,8,5,17/rA:19ClCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-XRDZGIHPCLFYIV_on_P28472_WT,Low,ChEMBL30,CHEMBL578817,Clc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,XRDZGIHPCLFYIV,XRDZGIHPCLFYIV-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,18,6,14,10,11,3,2,9,15,1,19,7,8,5,17/rA:19ClCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-XRDZGIHPCLFYIV_on_P31644_WT,Low,ChEMBL30,CHEMBL578817,Clc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1,XRDZGIHPCLFYIV,XRDZGIHPCLFYIV-UHFFFAOYSA-N,"InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-17-16-6-18(12)4-10-11(14)15-5-19(9)10/h1-3,5-6H,4H2","""AuxInfo=1/0/N:13,12,16,4,18,6,14,10,11,3,2,9,15,1,19,7,8,5,17/rA:19ClCCCNCNNCCCCCCBrCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.560,7.56,0.0,0.0,1.0,7.56,0.0
-XREUWQRXKYLCEK_on_P14867_WT,Low,ChEMBL30,CHEMBL1090691,Cc1nn(O)cc1C1CCNCC1,XREUWQRXKYLCEK,XREUWQRXKYLCEK-UHFFFAOYSA-N,"InChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3","""AuxInfo=1/0/N:1,9,13,10,12,6,2,8,7,11,3,4,5/E:(2,3)(4,5)/rA:13CCNNOCCCCCNCC/rB:s1;d2;s3;s4;s4;s2d6;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  4.180;  4.180,4.18,0.0,0.0,2.0,4.18,0.0
-XREUWQRXKYLCEK_on_P18507_WT,Low,ChEMBL30,CHEMBL1090691,Cc1nn(O)cc1C1CCNCC1,XREUWQRXKYLCEK,XREUWQRXKYLCEK-UHFFFAOYSA-N,"InChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3","""AuxInfo=1/0/N:1,9,13,10,12,6,2,8,7,11,3,4,5/E:(2,3)(4,5)/rA:13CCNNOCCCCCNCC/rB:s1;d2;s3;s4;s4;s2d6;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  4.180;  4.180,4.18,0.0,0.0,2.0,4.18,0.0
-XREUWQRXKYLCEK_on_P47870_WT,Low,ChEMBL30,CHEMBL1090691,Cc1nn(O)cc1C1CCNCC1,XREUWQRXKYLCEK,XREUWQRXKYLCEK-UHFFFAOYSA-N,"InChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3","""AuxInfo=1/0/N:1,9,13,10,12,6,2,8,7,11,3,4,5/E:(2,3)(4,5)/rA:13CCNNOCCCCCNCC/rB:s1;d2;s3;s4;s4;s2d6;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063,PMID:20355712,2010.0,PMID:20355712,2010,1,0,0,0,0,,=,  4.180;  4.180,4.18,0.0,0.0,2.0,4.18,0.0
-XREYJPAXYJOFJW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3950438,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(C(F)(F)F)nc2)c3F)cn1,XREYJPAXYJOFJW,XREYJPAXYJOFJW-UHFFFAOYSA-N,"InChI=1S/C21H15F4N5O/c1-30-10-13(9-28-30)15-7-16(20(26)31)29-19-14(15)4-3-12(18(19)22)6-11-2-5-17(27-8-11)21(23,24)25/h2-5,7-10H,6H2,1H3,(H2,26,31)","""AuxInfo=1/1/N:1,19,15,14,20,17,6,27,30,3,18,16,4,13,5,7,21,28,12,8,22,29,23,24,25,9,26,31,11,2,10/E:(23,24,25)/rA:31CNCCCCCCNONCCCCCCCCCCCFFFNCCFCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s22;s22;s21;s18d26;s12d16;s28;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-XRFYMVPMURJIHU_on_P41594_WT,High,ChEMBL30,CHEMBL3644372,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ncco1)ccc3,XRFYMVPMURJIHU,XRFYMVPMURJIHU-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-21-11-24-20(26-12-18(25-13-26)14-4-5-14)10-19-16-2-1-3-17(22-23-7-9-29-22)15(16)6-8-27(19)21/h1-3,7,9-10,12-14H,4-6,8,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,19,25,14,3,13,7,10,17,16,21,9,15,5,2,22,23,4,8,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCNCCOCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-XRFYMVPMURJIHU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644372,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ncco1)ccc3,XRFYMVPMURJIHU,XRFYMVPMURJIHU-UHFFFAOYSA-N,"InChI=1S/C22H19N5O2/c28-21-11-24-20(26-12-18(25-13-26)14-4-5-14)10-19-16-2-1-3-17(22-23-7-9-29-22)15(16)6-8-27(19)21/h1-3,7,9-10,12-14H,4-6,8,11H2","""AuxInfo=1/0/N:28,29,27,11,12,18,24,19,25,14,3,13,7,10,17,16,21,9,15,5,2,22,23,4,8,6,20,1,26/E:(4,5)/rA:29OCCNCNCNCCCCCCCCCCCNCCNCCOCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s22s25;d21;s27;s16d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-XRHJMBXQZKUGOY_on_Q14416_WT,High,ChEMBL30,CHEMBL1669398,CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4cccnc4)cc3)c2)c1=O,XRHJMBXQZKUGOY,XRHJMBXQZKUGOY-UHFFFAOYSA-N,"InChI=1S/C24H21ClN2O2/c1-2-11-27-12-9-19-13-20(14-22(25)23(19)24(27)28)18-5-7-21(8-6-18)29-16-17-4-3-10-26-15-17/h3-10,12-15H,2,11,16H2,1H3","""AuxInfo=1/0/N:1,2,21,20,14,26,15,25,6,22,3,5,27,11,24,18,19,13,7,12,16,9,8,28,10,23,4,29,17/E:(5,6)(7,8)/rA:29CCCNCCCCCClCCCCCCOCCCCCNCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;s7d12;s4s8;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-XRIXNULAASCVLG_on_P14867_WT,Low,ChEMBL30,CHEMBL44985,Cc1csc(-c2cc(-c3nccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,XRIXNULAASCVLG,XRIXNULAASCVLG-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(24-13)16-10-15(19-23-7-9-25(19)2)18-17-11-22-6-5-14(17)4-3-8-26(18)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,14,23,22,18,19,11,24,12,7,21,3,2,17,8,6,16,15,9,5,26,20,10,28,13,25,27,4/rA:28CCCSCCCCCNCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677032,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-XRIXNULAASCVLG_on_P18507_WT,Low,ChEMBL30,CHEMBL44985,Cc1csc(-c2cc(-c3nccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,XRIXNULAASCVLG,XRIXNULAASCVLG-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(24-13)16-10-15(19-23-7-9-25(19)2)18-17-11-22-6-5-14(17)4-3-8-26(18)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,14,23,22,18,19,11,24,12,7,21,3,2,17,8,6,16,15,9,5,26,20,10,28,13,25,27,4/rA:28CCCSCCCCCNCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680430;CHEMBL677032,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.780;  7.840,7.81,0.03,0.03,2.0,7.81,0.03
-XRIXNULAASCVLG_on_P28472_WT,Low,ChEMBL30,CHEMBL44985,Cc1csc(-c2cc(-c3nccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,XRIXNULAASCVLG,XRIXNULAASCVLG-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(24-13)16-10-15(19-23-7-9-25(19)2)18-17-11-22-6-5-14(17)4-3-8-26(18)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,14,23,22,18,19,11,24,12,7,21,3,2,17,8,6,16,15,9,5,26,20,10,28,13,25,27,4/rA:28CCCSCCCCCNCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677032;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.840;  7.780,7.81,0.03,0.03,2.0,7.81,0.03
-XRIXNULAASCVLG_on_P34903_WT,Low,ChEMBL30,CHEMBL44985,Cc1csc(-c2cc(-c3nccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1,XRIXNULAASCVLG,XRIXNULAASCVLG-UHFFFAOYSA-N,"InChI=1S/C21H19N5OS/c1-13-12-28-20(24-13)16-10-15(19-23-7-9-25(19)2)18-17-11-22-6-5-14(17)4-3-8-26(18)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3","""AuxInfo=1/0/N:1,14,23,22,18,19,11,24,12,7,21,3,2,17,8,6,16,15,9,5,26,20,10,28,13,25,27,4/rA:28CCCSCCCCCNCCNCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s9s12;s13;d8;s15;d16;s17;d18;s19;s16d20;s17;s22;s23;s15s24;s6s25;d26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  7.780,7.78,0.0,0.0,1.0,7.78,0.0
-XRMJPVIAEPOYKG_on_P41594_WT,High,ChEMBL30,CHEMBL4096663,Cc1nc(COc2cc(=O)n3cc(Oc4cnccc4)ccc3n2)ccc1,XRMJPVIAEPOYKG,XRMJPVIAEPOYKG-UHFFFAOYSA-N,"InChI=1S/C20H16N4O3/c1-14-4-2-5-15(22-14)13-26-19-10-20(25)24-12-17(7-8-18(24)23-19)27-16-6-3-9-21-11-16/h2-12H,13H2,1H3","""AuxInfo=1/0/N:1,26,19,27,25,20,21,22,18,8,16,12,5,2,4,15,13,23,7,9,17,3,24,11,10,6,14/rA:27CCNCCOCCCONCCOCCNCCCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s13;d21;s11s22;s7d23;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-XRRMKGIMNWBQJX_on_P14867_WT,Low,ChEMBL30,CHEMBL506314,CCc1ccc2ncc(C(=O)CC3CCCC3)c(O)c2c1,XRRMKGIMNWBQJX,XRRMKGIMNWBQJX-UHFFFAOYSA-N,"InChI=1S/C18H21NO2/c1-2-12-7-8-16-14(9-12)18(21)15(11-19-16)17(20)10-13-5-3-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,2,15,16,14,17,4,5,21,12,8,3,13,20,9,6,10,18,7,11,19/E:(3,4)(5,6)/rA:21CCCCCCNCCCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s13s16;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-XRRMKGIMNWBQJX_on_P18507_WT,Low,ChEMBL30,CHEMBL506314,CCc1ccc2ncc(C(=O)CC3CCCC3)c(O)c2c1,XRRMKGIMNWBQJX,XRRMKGIMNWBQJX-UHFFFAOYSA-N,"InChI=1S/C18H21NO2/c1-2-12-7-8-16-14(9-12)18(21)15(11-19-16)17(20)10-13-5-3-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,2,15,16,14,17,4,5,21,12,8,3,13,20,9,6,10,18,7,11,19/E:(3,4)(5,6)/rA:21CCCCCCNCCCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s13s16;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-XRRMKGIMNWBQJX_on_P47870_WT,Low,ChEMBL30,CHEMBL506314,CCc1ccc2ncc(C(=O)CC3CCCC3)c(O)c2c1,XRRMKGIMNWBQJX,XRRMKGIMNWBQJX-UHFFFAOYSA-N,"InChI=1S/C18H21NO2/c1-2-12-7-8-16-14(9-12)18(21)15(11-19-16)17(20)10-13-5-3-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,2,15,16,14,17,4,5,21,12,8,3,13,20,9,6,10,18,7,11,19/E:(3,4)(5,6)/rA:21CCCCCCNCCCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s13s16;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-XSDFIKYRYXOSHQ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL113697,Oc1nc2c(cc(C#CCCN3CCC(Cc4ccccc4)CC3)cc2)o1,XSDFIKYRYXOSHQ,XSDFIKYRYXOSHQ-UHFFFAOYSA-N,"InChI=1S/C23H24N2O2/c26-23-24-21-10-9-19(17-22(21)27-23)8-4-5-13-25-14-11-20(12-15-25)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H,24,26)","""AuxInfo=1/1/N:20,19,21,9,10,18,22,8,25,26,14,23,11,13,24,16,6,17,7,15,4,5,2,3,12,1,27/E:(2,3)(6,7)(11,12)(14,15)/rA:27OCNCCCCCCCCNCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s7;t8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;s7;s4d25;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747069;CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.410;  6.920,5.665,1.255,1.255,2.0,5.665,1.255
-XSEALTHDLJWVPC_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830911;53388195,CN(C)c1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1,XSEALTHDLJWVPC,XSEALTHDLJWVPC-UHFFFAOYSA-N,"InChI=1S/C16H18N6S/c1-22(2)14-8-4-7-13(18-14)19-16-20-15-10-9-17-21-11(10)5-3-6-12(15)23-16/h4,7-9H,3,5-6H2,1-2H3,(H,17,21)(H,18,19,20)","""AuxInfo=1/1/N:1,3,15,6,16,14,7,5,19,18,17,13,8,4,12,10,20,23,9,11,21,2,22/E:(1,2)/rA:23CNCCCCCCNCNCCCCCCCCNNSN/rB:s1;s2;s2;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s14;s15;s16;s12d17;s18;d19;s17s20;s10s13;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  6.470;  6.469,6.47,0.0,0.0,2.0,6.47,0.0
-XSEGJKWECYWILP_on_O15399_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_O60391_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_Q05586_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_Q12879_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_Q13224_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSEGJKWECYWILP_on_Q14957_WT,Low,ChEMBL30,CHEMBL295995,Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2,XSEGJKWECYWILP,XSEGJKWECYWILP-UHFFFAOYSA-N,"InChI=1S/C9H8ClN3O2/c1-3-4(10)2-5-7(6(3)11)13-9(15)8(14)12-5/h2H,11H2,1H3,(H,12,14)(H,13,15)","""AuxInfo=1/1/N:1,7,2,8,6,3,5,11,13,9,4,10,15,12,14/rA:15CCCNCCCCClNCOCON/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s6;d10;s11;s11;s13;s5d13;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-XSGFZVPHOUBKKN_on_P41594_WT,High,ExCAPE-DB,162834,Cn1cc(O)nc1NC(=O)Nc1cc(Cl)ccc1,XSGFZVPHOUBKKN,XSGFZVPHOUBKKN-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)","""AuxInfo=1/1/N:1,17,16,18,13,3,14,12,4,7,9,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCClCCC/rB:s1;s2;d3;s4;s4;s2d6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:484700,PubChemAID:484700,2010.0,PubChemAID:484700,2010,0,0,0,0,1,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-XSGFZVPHOUBKKN_on_Q13255_WT,High,ExCAPE-DB,162834,Cn1cc(O)nc1NC(=O)Nc1cc(Cl)ccc1,XSGFZVPHOUBKKN,XSGFZVPHOUBKKN-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)","""AuxInfo=1/1/N:1,17,16,18,13,3,14,12,4,7,9,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCClCCC/rB:s1;s2;d3;s4;s4;s2d6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:493943,PubChemAID:493943,2011.0,PubChemAID:493943,2011,0,0,0,0,1,,=,  8.174,8.174,0.0,0.0,1.0,8.174,0.0
-XSISCWOKUQLCCR_on_Q05586_WT,Low,ChEMBL30,CHEMBL3976578,Cc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1,XSISCWOKUQLCCR,XSISCWOKUQLCCR-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O/c1-9-2-13(12-4-10(12)7-23)27-16(3-9)24-11(5-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h2-3,5-6,10,12H,4,8H2,1H3","""AuxInfo=1/0/N:1,28,3,24,18,15,26,7,2,25,6,23,22,10,16,4,19,11,17,12,13,14,27,5,9,8,21,20/E:(20,21,22)/rA:28CCCCNCCNNCCFFFCCClCCONCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;s8d15;s16;d6;s18;d19;s4s19;s21;s22;s23;s23s24;s25;t26;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-XSISCWOKUQLCCR_on_Q12879_WT,Low,ChEMBL30,CHEMBL3976578,Cc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1,XSISCWOKUQLCCR,XSISCWOKUQLCCR-UHFFFAOYSA-N,"InChI=1S/C18H13ClF3N5O/c1-9-2-13(12-4-10(12)7-23)27-16(3-9)24-11(5-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h2-3,5-6,10,12H,4,8H2,1H3","""AuxInfo=1/0/N:1,28,3,24,18,15,26,7,2,25,6,23,22,10,16,4,19,11,17,12,13,14,27,5,9,8,21,20/E:(20,21,22)/rA:28CCCCNCCNNCCFFFCCClCCONCCCCCNC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s11;s11;s10;s8d15;s16;d6;s18;d19;s4s19;s21;s22;s23;s23s24;s25;t26;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-XSMBZTWKVDUZDI_on_P41594_WT,Low,ChEMBL30,CHEMBL247216,Cc1nc2c(cnn2-c2cncnc2)c(=O)n1-c1ccc(Cl)cc1,XSMBZTWKVDUZDI,XSMBZTWKVDUZDI-UHFFFAOYSA-N,"InChI=1S/C16H11ClN6O/c1-10-21-15-14(8-20-23(15)13-6-18-9-19-7-13)16(24)22(10)12-4-2-11(17)3-5-12/h2-9H,1H3","""AuxInfo=1/0/N:1,20,23,19,24,10,14,6,12,2,21,18,9,5,4,15,22,11,13,7,3,17,8,16/E:(2,3)(4,5)(6,7)(18,19)/rA:24CCNCCCNNCCNCNCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XSMBZTWKVDUZDI_on_Q13255_WT,High,ChEMBL30,CHEMBL247216,Cc1nc2c(cnn2-c2cncnc2)c(=O)n1-c1ccc(Cl)cc1,XSMBZTWKVDUZDI,XSMBZTWKVDUZDI-UHFFFAOYSA-N,"InChI=1S/C16H11ClN6O/c1-10-21-15-14(8-20-23(15)13-6-18-9-19-7-13)16(24)22(10)12-4-2-11(17)3-5-12/h2-9H,1H3","""AuxInfo=1/0/N:1,20,23,19,24,10,14,6,12,2,21,18,9,5,4,15,22,11,13,7,3,17,8,16/E:(2,3)(4,5)(6,7)(18,19)/rA:24CCNCCCNNCCNCNCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-XSOHXMFFSKTSIT_on_O15399_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_O60391_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_Q05586_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_Q12879_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_Q13224_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSOHXMFFSKTSIT_on_Q14957_WT,Low,ChEMBL30,CHEMBL336585,NCC12CC3CC(CC(C3)C1)C2,XSOHXMFFSKTSIT,XSOHXMFFSKTSIT-UHFFFAOYSA-N,"InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2","""AuxInfo=1/0/N:6,8,10,12,4,11,2,7,5,9,3,1/E:(1,2,3)(4,5,6)(8,9,10)/rA:12NCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s3s9;s3s7;/rC:;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL761030,PMID:9464369,1998.0,PMID:9464369,1998,0,0,0,1,0,,=,  4.480,4.48,0.0,0.0,1.0,4.48,0.0
-XSPDMPSGIBFIBW_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223013;1012759,Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1,XSPDMPSGIBFIBW,XSPDMPSGIBFIBW-UHFFFAOYSA-N,"InChI=1S/C20H20N2O4S/c1-13-11-14(2)19(15(3)12-13)22-27(24,25)17-8-6-16(7-9-17)21-20(23)18-5-4-10-26-18/h4-12,22H,1-3H3,(H,21,23)","""AuxInfo=1/1/N:1,5,26,20,19,13,23,12,24,21,3,27,2,4,25,14,11,18,6,16,15,7,17,9,10,22,8/E:(2,3)(6,7)(8,9)(11,12)(14,15)(24,25)/CRV:27.6/rA:27CCCCCCNSOOCCCCNCOCCCCOCCCCC/rB:s1;d2;s3;s4;d4;s6;s7;d8;d8;s8;d11;s12;d13;s14;s15;d16;s16;d18;s19;d20;s18s21;s14;s11d23;s6;s25;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  5.220;  5.225,5.223,0.002,0.002,2.0,5.223,0.002
-XSPHDAGQCCKCGZ_on_P41594_WT,High,ChEMBL30,CHEMBL2403591,N#Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1,XSPHDAGQCCKCGZ,XSPHDAGQCCKCGZ-UHFFFAOYSA-N,"InChI=1S/C22H15N3OS/c23-14-17-7-4-8-18(13-17)22(26)25-12-11-19-20(15-25)27-21(24-19)10-9-16-5-2-1-3-6-16/h1-8,13H,11-12,15H2","""AuxInfo=1/0/N:21,20,22,26,19,23,27,25,17,16,10,9,4,2,13,18,3,5,11,12,15,6,1,24,8,7,14/E:(2,3)(5,6)/rA:27NCCCCCONCCCCCSCCCCCCCCCNCCC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;d11;s8s12;s12;s14;s15;t16;s17;d18;s19;d20;s21;s18d22;s11d15;d5;s25;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-XSQXTIBXURCUAD_on_Q12879_WT,Low,ChEMBL30,CHEMBL147355,c1ccc(CC2CCN(CCSc3ncc[nH]3)CC2)cc1,XSQXTIBXURCUAD,XSQXTIBXURCUAD-UHFFFAOYSA-N,"InChI=1S/C17H23N3S/c1-2-4-15(5-3-1)14-16-6-10-20(11-7-16)12-13-21-17-18-8-9-19-17/h1-5,8-9,16H,6-7,10-14H2,(H,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,15,16,8,18,10,11,5,4,6,13,14,17,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(18,19)/rA:21CCCCCCCCNCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s13s16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XSQXTIBXURCUAD_on_Q13224_WT,Medium,ChEMBL30,CHEMBL147355,c1ccc(CC2CCN(CCSc3ncc[nH]3)CC2)cc1,XSQXTIBXURCUAD,XSQXTIBXURCUAD-UHFFFAOYSA-N,"InChI=1S/C17H23N3S/c1-2-4-15(5-3-1)14-16-6-10-20(11-7-16)12-13-21-17-18-8-9-19-17/h1-5,8-9,16H,6-7,10-14H2,(H,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,15,16,8,18,10,11,5,4,6,13,14,17,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(18,19)/rA:21CCCCCCCCNCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s13s16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-XSQXTIBXURCUAD_on_Q14957_WT,Low,ChEMBL30,CHEMBL147355,c1ccc(CC2CCN(CCSc3ncc[nH]3)CC2)cc1,XSQXTIBXURCUAD,XSQXTIBXURCUAD-UHFFFAOYSA-N,"InChI=1S/C17H23N3S/c1-2-4-15(5-3-1)14-16-6-10-20(11-7-16)12-13-21-17-18-8-9-19-17/h1-5,8-9,16H,6-7,10-14H2,(H,18,19)","""AuxInfo=1/1/N:1,2,21,3,20,7,19,15,16,8,18,10,11,5,4,6,13,14,17,9,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(18,19)/rA:21CCCCCCCCNCCSCNCCNCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s13s16;s9;s6s18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XSRXLPIHSVEXRR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112105,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)cc3)n2)cc(C)n1,XSRXLPIHSVEXRR,XSRXLPIHSVEXRR-UHFFFAOYSA-N,"InChI=1S/C21H22ClN3O/c1-13-10-17(11-14(2)23-13)20-19-8-9-26-15(3)12-25(19)21(24-20)16-4-6-18(22)7-5-16/h4-7,10-11,15H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,25,11,16,21,17,20,7,8,3,23,12,2,24,10,15,4,18,6,5,14,19,26,22,13,9/E:(1,2)(4,5)(6,7)(10,11)(13,14)/rA:26CCCCCCCCOCCCNCCCCCClCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s5d14;d4;s23;s24;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-XSSHNPMTMMRVST_on_P41594_WT,High,ChEMBL30,CHEMBL1630068,Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(-c3ccc(F)cc3)nn12,XSSHNPMTMMRVST,XSSHNPMTMMRVST-UHFFFAOYSA-N,"InChI=1S/C20H17FN4O3/c1-12-17(13(2)27-20(26)22-16-6-4-3-5-7-16)28-19-23-18(24-25(12)19)14-8-10-15(21)11-9-14/h3-11,13H,1-2H3,(H,22,26)","""AuxInfo=1/1/N:1,5,13,12,14,11,15,21,26,22,25,2,4,20,23,10,3,19,17,7,24,9,18,27,28,8,6,16/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCCCCOCONCCCCCCOCNCCCCCFCCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;s19;d20;s21;d22;s23;s23;s20d25;d19;s2s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-XSTBUOHORFUCIB_on_O00222_WT,Low,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4620128,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XSTBUOHORFUCIB_on_O15303_WT,High,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4620129,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-XSTBUOHORFUCIB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL4620124,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XSTBUOHORFUCIB_on_Q14416_WT,High,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620122;CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.700;  8.050,7.875,0.175,0.175,2.0,7.875,0.175
-XSTBUOHORFUCIB_on_Q14831_WT,Low,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4620127,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XSTBUOHORFUCIB_on_Q14833_WT,Low,ChEMBL30,CHEMBL3892073,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1,XSTBUOHORFUCIB,XSTBUOHORFUCIB-UHFFFAOYSA-N,"InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,22,23,26,5,18,17,7,10,14,6,27,4,20,24,2,11,1,28,19,21,25,3/E:(2,3)(4,5)(7,8)(19,20)(26,27)/rA:28NCOCCCCCCCFCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4620126,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XSTFUVUTXIRDAP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4114381,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCCC4C3)cc2n1,XSTFUVUTXIRDAP,XSTFUVUTXIRDAP-UHFFFAOYSA-N,"InChI=1S/C24H25FN4O/c25-18-6-4-17(5-7-18)21-13-23(24(26)30)27-22-12-16(3-8-20(21)22)14-28-10-11-29-9-1-2-19(29)15-28/h3-8,12-13,19H,1-2,9-11,14-15H2,(H2,26,30)","""AuxInfo=1/1/N:24,25,16,8,13,9,12,15,23,20,21,28,5,18,27,17,7,10,26,14,6,29,4,2,11,1,30,19,22,3/E:(4,5)(6,7)/rA:30NCOCCCCCCCFCCCCCCCNCCNCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s22s25;s19s26;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-XSTJITGJFWVPIL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108597,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)ccn1,XSTJITGJFWVPIL,XSTJITGJFWVPIL-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O2/c1-12-9-14(5-7-25-12)19-17-6-8-28-13(2)11-27(17)20(26-19)15-3-4-18(16(22)10-15)29-21(23)24/h3-5,7,9-10,13,21H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,27,7,28,8,3,25,12,2,10,4,15,23,6,18,5,14,20,24,21,22,29,26,13,9,19/E:(23,24)/rA:29CCCCCCCCOCCCNCCCCCOCFFCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s15d23;s5d14;d4;s27;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.120,8.12,0.0,0.0,1.0,8.12,0.0
-XSUVKKAGEGBNBT_on_O00222_WT,High,ExCAPE-DB,8565517,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CCc3cccs3)c(C)c2)cc1,XSUVKKAGEGBNBT,XSUVKKAGEGBNBT-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2S2/c1-15-13-21(16(2)24(15)11-10-19-5-4-12-27-19)22(26)14-28-20-8-6-18(7-9-20)23-17(3)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:25,15,1,21,20,6,28,7,27,18,17,22,26,10,24,14,2,5,19,8,13,11,4,16,3,12,23,9/E:(6,7)(8,9)/rA:28CCONCCCCSCCOCCCNCCCCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;d19;s20;d21;s19s22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,,=,  5.796,5.796,0.0,0.0,1.0,5.796,0.0
-XSUVKKAGEGBNBT_on_Q14831_WT,Low,ChEMBL30,CHEMBL3559854,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CCc3cccs3)c(C)c2)cc1,XSUVKKAGEGBNBT,XSUVKKAGEGBNBT-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2S2/c1-15-13-21(16(2)24(15)11-10-19-5-4-12-27-19)22(26)14-28-20-8-6-18(7-9-20)23-17(3)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:25,15,1,21,20,6,28,7,27,18,17,22,26,10,24,14,2,5,19,8,13,11,4,16,3,12,23,9/E:(6,7)(8,9)/rA:28CCONCCCCSCCOCCCNCCCCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;d19;s20;d21;s19s22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL3562008,PubChemAID:743384,2014.0,PubChemAID:743384,2014,0,1,0,0,0,,=,  5.699,5.699,0.0,0.0,1.0,5.699,0.0
-XSUVKKAGEGBNBT_on_Q14833_WT,High,ExCAPE-DB,8565517,CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CCc3cccs3)c(C)c2)cc1,XSUVKKAGEGBNBT,XSUVKKAGEGBNBT-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2S2/c1-15-13-21(16(2)24(15)11-10-19-5-4-12-27-19)22(26)14-28-20-8-6-18(7-9-20)23-17(3)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)","""AuxInfo=1/1/N:25,15,1,21,20,6,28,7,27,18,17,22,26,10,24,14,2,5,19,8,13,11,4,16,3,12,23,9/E:(6,7)(8,9)/rA:28CCONCCCCSCCOCCCNCCCCCCSCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;s14;s16;s17;s18;d19;s20;d21;s19s22;s16;s24;s13d24;s8;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,,=,  5.585,5.585,0.0,0.0,1.0,5.585,0.0
-XSVQZUBSNYPXCL_on_Q13255_WT,Low,ChEMBL30,CHEMBL3787309,O=C(Nc1cc(Cl)c(N2Cc3c(C2=O)c(Cl)ccc3)cc1)c1c(Cl)cccn1,XSVQZUBSNYPXCL,XSVQZUBSNYPXCL-UHFFFAOYSA-N,"InChI=1S/C20H12Cl3N3O2/c21-13-4-1-3-11-10-26(20(28)17(11)13)16-7-6-12(9-15(16)23)25-19(27)18-14(22)5-2-8-24-18/h1-9H,10H2,(H,25,27)","""AuxInfo=1/1/N:18,26,19,17,25,21,20,27,5,10,11,4,15,23,6,8,12,22,2,13,16,24,7,28,3,9,1,14/rA:28OCNCCCClCNCCCCOCClCCCCCCCClCCCN/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s10;d11;s9s12;d13;s12;s15;d15;s17;s11d18;s8;s4d20;s2;d22;s23;s23;d25;s26;s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-XSWPNNVNUYUWQF_on_Q13255_WT,High,ChEMBL30,CHEMBL1951872,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O,XSWPNNVNUYUWQF,XSWPNNVNUYUWQF-UHFFFAOYSA-N,"InChI=1S/C17H12BrN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)","""AuxInfo=1/1/N:1,17,20,16,21,8,12,7,13,18,15,11,3,4,10,5,22,19,2,6,14,23,9/E:(2,3)(4,5)/rA:23CNCCCNCCSCCCCNCCCCBrCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-XSXHDMUABOGLFX_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681892,CC1(C)CCc2c(C1)c1nn(-c3ccc(Cl)cc3)c(OCc3ccccc3Cl)c1cn2,XSXHDMUABOGLFX,XSXHDMUABOGLFX-UHFFFAOYSA-N,"InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,14,17,13,18,5,4,8,30,21,22,15,12,7,29,27,6,9,19,2,16,28,31,10,11,20/E:(1,2)(7,8)(9,10)/rA:31CCCCCCCCCNNCCCCClCCCOCCCCCCCClCCN/rB:s1;s2;s2;s4;s5;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s20;s21;d22;s23;d24;s25;s22d26;s27;s9d19;s29;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-XSXHDMUABOGLFX_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681892,CC1(C)CCc2c(C1)c1nn(-c3ccc(Cl)cc3)c(OCc3ccccc3Cl)c1cn2,XSXHDMUABOGLFX,XSXHDMUABOGLFX-UHFFFAOYSA-N,"InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3","""AuxInfo=1/0/N:1,3,24,25,23,26,14,17,13,18,5,4,8,30,21,22,15,12,7,29,27,6,9,19,2,16,28,31,10,11,20/E:(1,2)(7,8)(9,10)/rA:31CCCCCCCCCNNCCCCClCCCOCCCCCCCClCCN/rB:s1;s2;s2;s4;s5;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s20;s21;d22;s23;d24;s25;s22d26;s27;s9d19;s29;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-XTABZFCMONWMIM_on_P41594_WT,High,ChEMBL30,CHEMBL2205371,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncnc1NC1CC1)s2,XTABZFCMONWMIM,XTABZFCMONWMIM-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5OS/c18-9-1-5-11(6-2-9)23-8-21-13-12-15(22-10-3-4-10)19-7-20-16(12)25-14(13)17(23)24/h1-2,5-8,10H,3-4H2,(H,19,20,22)","""AuxInfo=1/1/N:10,13,23,24,9,14,18,6,11,22,8,15,4,3,20,16,2,12,19,17,5,21,7,1,25/E:(1,2)(3,4)(5,6)/rA:25OCCCNCNCCCCClCCCCNCNCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s22s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XTABZFCMONWMIM_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,57881625;CHEMBL2205371,O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncnc1NC1CC1)s2,XTABZFCMONWMIM,XTABZFCMONWMIM-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5OS/c18-9-1-5-11(6-2-9)23-8-21-13-12-15(22-10-3-4-10)19-7-20-16(12)25-14(13)17(23)24/h1-2,5-8,10H,3-4H2,(H,19,20,22)","""AuxInfo=1/1/N:10,13,23,24,9,14,18,6,11,22,8,15,4,3,20,16,2,12,19,17,5,21,7,1,25/E:(1,2)(3,4)(5,6)/rA:25OCCCNCNCCCCClCCCCNCNCNCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;d17;s18;s15d19;s20;s21;s22;s22s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  8.523;  8.520,8.521,0.002,0.002,2.0,8.521,0.002
-XTDONDKOBFBYTO_on_P41594_WT,High,ChEMBL30,CHEMBL213254,Cc1cccc(C#CC(C)Nc2cc(Cl)ccc2)n1,XTDONDKOBFBYTO,XTDONDKOBFBYTO-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13,19H,1-2H3","""AuxInfo=1/0/N:1,10,4,17,3,16,5,18,8,7,13,2,9,14,6,12,15,19,11/rA:19CCCCCCCCCCNCCCClCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s9;s11;d12;s13;s14;d14;s16;s12d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-XTFPJHIMNIIPIS_on_O00591_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_O14764_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P14867_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P18505_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P18507_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P28472_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P31644_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P34903_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P47869_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P47870_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P48169_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_P78334_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_Q16445_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTFPJHIMNIIPIS_on_Q99928_WT,Low,ChEMBL30,CHEMBL309871,Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2,XTFPJHIMNIIPIS,XTFPJHIMNIIPIS-UHFFFAOYSA-N,"InChI=1S/C20H23N3O2S/c1-12-18-17(21-11-23(18)7-5-13-2-3-13)16-14-4-6-20(24-8-9-25-20)10-15(14)26-19(16)22-12/h11,13H,2-10H2,1H3","""AuxInfo=1/0/N:1,23,24,11,21,10,20,13,14,8,25,2,22,6,7,5,17,18,4,9,26,3,19,12,15,16/E:(2,3)(8,9)(24,25)/rA:26CCNCCCCCCCCOCCOSCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s9;s12;s13;s9s14;s4s7;s5;s2d17;s18;s19;s20;s21;s22;s22s23;s19;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-XTGROMAGIGWBCC_on_Q14416_WT,High,ChEMBL30,CHEMBL1774231,COc1c(C2CCN(Cc3nc4c(cccn4)n3C)CC2C)ccc(C(F)(F)F)c1,XTGROMAGIGWBCC,XTGROMAGIGWBCC-UHFFFAOYSA-N,"InChI=1S/C22H25F3N4O/c1-14-12-29(13-20-27-21-18(28(20)2)5-4-9-26-21)10-8-16(14)17-7-6-15(22(23,24)25)11-19(17)30-3/h4-7,9,11,14,16H,8,10,12-13H2,1-3H3","""AuxInfo=1/0/N:22,19,1,15,14,24,23,6,16,7,30,20,9,21,25,5,4,13,3,10,12,26,27,28,29,17,11,18,8,2/E:(23,24,25)/rA:30COCCCCCNCCNCCCCCNNCCCCCCCCFFFC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s15;s12d16;s10s13;s18;s8;s5s20;s21;s4;d23;s24;s25;s26;s26;s26;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1776061,PMID:21366332,2011.0,PMID:21366332,2011,0,1,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-XTHPLEPOFFZZMI_on_O15399_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_O60391_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTHPLEPOFFZZMI_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365757,N=C(N)NN=Cc1cscc1,XTHPLEPOFFZZMI,XTHPLEPOFFZZMI-UHFFFAOYSA-N,"InChI=1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)","""AuxInfo=1/1/N:11,10,6,8,7,2,1,3,5,4,9/E:(7,8)/rA:11NCNNNCCCSCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  3.740,3.74,0.0,0.0,1.0,3.74,0.0
-XTIBTHQFEFOGNS_on_P41594_WT,High,ChEMBL30,CHEMBL2071571,Cc1cc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)ccc1,XTIBTHQFEFOGNS,XTIBTHQFEFOGNS-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O2/c1-12-4-2-7-16(8-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-5-3-6-15(20)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,24,13,25,12,14,23,3,17,20,6,2,11,7,15,4,21,10,8,16,9,18,5,22,19/rA:25CCCCNCCCNCCCCCCClCNOCCOCCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;s14;s15;s11d15;d10;s8s18;s7;s5s20;d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-XTIIGIHYYHNDQE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL323138,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(C)c2ccccc2)cc1,XTIIGIHYYHNDQE,XTIIGIHYYHNDQE-UHFFFAOYSA-N,"InChI=1S/C22H24N2O2S/c1-3-27(25,26)24(17-19-8-7-15-23-16-19)22-13-11-21(12-14-22)18(2)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3","""AuxInfo=1/0/N:1,19,2,23,22,24,12,13,21,25,16,26,15,27,11,9,7,18,8,20,17,14,10,6,4,5,3/E:(5,6)(9,10)(11,12)(13,14)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;s18;s18;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-XTKQMUCOLYVCST_on_Q14416_WT,High,ChEMBL30,CHEMBL3337524,O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1,XTKQMUCOLYVCST,XTKQMUCOLYVCST-UHFFFAOYSA-N,"InChI=1S/C20H23ClN2O/c21-19-18(10-13-23(20(19)24)14-15-6-7-15)22-11-8-17(9-12-22)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2","""AuxInfo=1/0/N:13,12,14,11,15,23,24,8,16,18,7,17,19,21,22,10,9,5,3,2,4,6,20,1/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:24OCCClCNCCCCCCCCCCCCCNCCCC/rB:d1;s2;s3;d3;s5;s6;s7;s8;s9;d10;s11;d12;s13;s10d14;s9;s6s16;s5;d18;s2s19;s20;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-XTMHABCKCABPRE_on_P41594_WT,High,ExCAPE-DB,44408378,CCn1cc(O)nc1NC(=O)Nc1cc(Cl)ccc1,XTMHABCKCABPRE,XTMHABCKCABPRE-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)","""AuxInfo=1/1/N:1,2,18,17,19,14,4,15,13,5,8,10,16,12,7,9,3,6,11/rA:19CCNCCONCNCONCCCClCCC/rB:s1;s2;s3;d4;s5;s5;s3d7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:261160,PubChemAID:261160,2010.0,PubChemAID:261160,2010,0,0,0,0,1,,=,  6.602,6.602,0.0,0.0,1.0,6.602,0.0
-XTPUBIDJCVFUPG_on_P31644_WT,High,ChEMBL30,CHEMBL3681457,Cc1c(COc2ccc(C(=O)N3CCSCC3)cn2)c(-c2ccncc2)no1,XTPUBIDJCVFUPG,XTPUBIDJCVFUPG-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3S/c1-14-17(19(23-27-14)15-4-6-21-7-5-15)13-26-18-3-2-16(12-22-18)20(25)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,8,7,22,26,23,25,13,17,14,16,18,4,2,21,9,3,6,20,10,24,19,27,12,11,5,28,15/E:(4,5)(6,7)(8,9)(10,11)/rA:28CCCCOCCCCCONCCSCCCNCCCCNCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-XTTAUZGSFDSVLM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3941870,CCN(C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C,XTTAUZGSFDSVLM,XTTAUZGSFDSVLM-UHFFFAOYSA-N,"InChI=1S/C19H20ClN3O/c1-5-23(19(2,3)4)18(24)17-21-12-15(13-22-17)10-9-14-7-6-8-16(20)11-14/h6-8,11-13H,5H2,1-4H3","""AuxInfo=1/0/N:1,22,23,24,2,14,13,15,11,10,18,8,19,12,9,16,6,4,21,17,7,20,3,5/E:(2,3,4)(12,13)(21,22)/rA:24CCNCOCNCCCCCCCCCClCCNCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888544,PATENT:US9359301B2,2016.0,PATENT:US9359301B2,2016,0,1;0,0,0;1,0,,=,  7.340;  7.340,7.34,0.0,0.0,2.0,7.34,0.0
-XTUCFPVDIBJRML_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11629906;CHEMBL370559,Nc1nc(C#Cc2cccc(F)c2)cs1,XTUCFPVDIBJRML,XTUCFPVDIBJRML-UHFFFAOYSA-N,"InChI=1S/C11H7FN2S/c12-9-3-1-2-8(6-9)4-5-10-7-15-11(13)14-10/h1-3,6-7H,(H2,13,14)","""AuxInfo=1/1/N:9,8,10,6,5,13,14,7,11,4,2,12,1,3,15/rA:15NCNCCCCCCCCFCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s2s14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:259883;CHEMBL864050,PMID:16451073,2006.0,PubChemAID:259883;PMID:16451073,2010;2006,0;1,0,0,0,1;0,,=,  7.105;  7.110,7.107,0.003,0.003,2.0,7.107,0.002
-XTUCJQGWWBLNTQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013196,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1,XTUCJQGWWBLNTQ,XTUCJQGWWBLNTQ-UHFFFAOYSA-N,"InChI=1S/C20H23N3O/c24-18-11-10-17-19(16(18)14-23-12-6-1-2-7-13-23)22-20(21-17)15-8-4-3-5-9-15/h3-5,8-11,24H,1-2,6-7,12-14H2,(H,21,22)","""AuxInfo=1/1/N:21,22,11,10,12,20,23,9,13,4,3,19,24,17,8,16,5,2,15,7,6,14,18,1/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:24OCCCCNCCCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-XTUCJQGWWBLNTQ_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013196;70691639,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1,XTUCJQGWWBLNTQ,XTUCJQGWWBLNTQ-UHFFFAOYSA-N,"InChI=1S/C20H23N3O/c24-18-11-10-17-19(16(18)14-23-12-6-1-2-7-13-23)22-20(21-17)15-8-4-3-5-9-15/h3-5,8-11,24H,1-2,6-7,12-14H2,(H,21,22)","""AuxInfo=1/1/N:21,22,11,10,12,20,23,9,13,4,3,19,24,17,8,16,5,2,15,7,6,14,18,1/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:24OCCCCNCCCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-XTUFFCCFMSPHIJ_on_P41594_WT,High,ChEMBL30,CHEMBL3597600,Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3ccc(C#N)cn3)CC2)n1,XTUFFCCFMSPHIJ,XTUFFCCFMSPHIJ-UHFFFAOYSA-N,"InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,3,19,18,4,12,25,11,26,21,23,2,13,20,17,5,9,22,24,27,10,6,7,8/E:(9,10)(11,12)(26,27)/CRV:25.5/rA:27CCCCCN+OO-CNCCCCCCCCCCCNCNCCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s9;s10;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;t21;s20;s17d23;s13;s10s25;s2d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599915;CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,1;0,0,0,0;1,0,,=,  8.890;  9.520,9.205,0.315,0.315,2.0,9.205,0.315
-XTUHVYJHTALVBU_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11494153;CHEMBL183808,Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccccc1,XTUHVYJHTALVBU,XTUHVYJHTALVBU-UHFFFAOYSA-N,"InChI=1S/C22H28O4/c1-16(2)15-20(23)19-11-12-21(17(3)22(19)24)26-14-8-7-13-25-18-9-5-4-6-10-18/h4-6,9-12,16,24H,7-8,13-15H2,1-3H3","""AuxInfo=1/0/N:10,11,1,24,23,25,18,17,22,26,12,13,19,16,8,9,2,21,5,6,14,3,7,4,20,15/E:(1,2)(5,6)(9,10)/rA:26CCCOCCOCCCCCCCOCCCCOCCCCCC/rB:s1;d2;s3;s3;s5;d6;s6;s8;s9;s9;d5;s12;s2d13;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240156;CHEMBL829721,PMID:15501058,2004.0,PubChemAID:240156;PMID:15501058,2010;2004,0,0;1,0,0,1;0,,=,  5.342;  5.340,5.341,0.001,0.001,2.0,5.341,0.001
-XTVPCQRJLOJEFX_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771651,O=C(c1c(F)cc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1,XTVPCQRJLOJEFX,XTVPCQRJLOJEFX-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O2/c20-12-4-1-3-11(9-12)17-23-18(27-24-17)16-5-2-8-25(16)19(26)14-7-6-13(21)10-15(14)22/h1,3-4,6-7,9-10,16H,2,5,8H2","""AuxInfo=1/0/N:21,13,20,22,14,9,10,12,25,6,19,23,7,3,4,15,18,16,2,24,8,5,17,26,11,1,27/rA:27OCCCFCCFCCNCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;s4;d6;s7;s7;s3d9;s2;s11;s12;s13;s11s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XTVWOUDBGUNVLU_on_P31644_WT,High,ChEMBL30,CHEMBL3676497,Cc1c(COc2ccc(C(=O)NC3CCCN(CC(=O)NCCO)C3)cn2)c(-c2ccccc2)no1,XTVWOUDBGUNVLU,XTVWOUDBGUNVLU-UHFFFAOYSA-N,"InChI=1S/C26H31N5O5/c1-18-22(25(30-36-18)19-6-3-2-4-7-19)17-35-24-10-9-20(14-28-24)26(34)29-21-8-5-12-31(15-21)16-23(33)27-11-13-32/h2-4,6-7,9-10,14,21,32H,5,8,11-13,15-17H2,1H3,(H,27,33)(H,29,34)","""AuxInfo=1/1/N:1,32,31,33,15,30,34,14,8,7,22,16,23,26,25,18,4,2,29,9,13,3,19,6,28,10,21,27,12,35,17,24,20,11,5,36/E:(3,4)(6,7)/rA:36CCCCOCCCCCONCCCCNCCONCCOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;s23;s13s17;s9;s6d26;s3;s28;d29;s30;d31;s32;s29d33;d28;s2s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.080,8.08,0.0,0.0,1.0,8.08,0.0
-XTWCFVOMDOWSGI_on_P31644_WT,High,ChEMBL30,CHEMBL3681541,Cc1c(COc2ccc(C(=O)Nc3nn(C)cc3)cn2)c(-c2ccccc2)no1,XTWCFVOMDOWSGI,XTWCFVOMDOWSGI-UHFFFAOYSA-N,"InChI=1S/C21H19N5O3/c1-14-17(20(25-29-14)15-6-4-3-5-7-15)13-28-19-9-8-16(12-22-19)21(27)23-18-10-11-26(2)24-18/h3-12H,13H2,1-2H3,(H,23,24,27)","""AuxInfo=1/1/N:1,16,25,24,26,23,27,8,7,18,17,19,4,2,22,9,3,13,6,21,10,20,12,14,28,15,11,5,29/E:(4,5)(6,7)/rA:29CCCCOCCCCCONCNNCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;s15;s15;s13d17;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.290,8.29,0.0,0.0,1.0,8.29,0.0
-XTYGXIPKVBKWII_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113495,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1,XTYGXIPKVBKWII,XTYGXIPKVBKWII-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-10-17(11-14(2)26-13)20-19-8-9-29-15(3)12-28(19)21(27-20)16-4-6-18(7-5-16)30-22(23,24)25/h4-7,10-11,15H,8-9,12H2,1-3H3","""AuxInfo=1/0/N:1,29,11,16,25,17,24,7,8,3,27,12,2,28,10,15,4,18,6,5,14,20,21,22,23,30,26,13,9,19/E:(1,2)(4,5)(6,7)(10,11)(13,14)(23,24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFFCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;s5d14;d4;s27;s28;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-XTYPPDSIUKPGGA_on_P14867_WT,Low,ChEMBL30,CHEMBL4163464,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3(CC12C)N=N3,XTYPPDSIUKPGGA,XTYPPDSIUKPGGA-UHFFFAOYSA-N,"InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,16,12,21,2,11,13,8,4,7,19,17,22,20,24,25,3,14/E:(22,23)/rA:25CCOCCCCCCCCCCOCCCCCCCCCNN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;s20;s20w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4139382;CHEMBL4139381;CHEMBL4139379,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.600;  5.910;  6.700,6.403,0.35100000000000003,0.248,3.0,6.6,0.1
-XTYPPDSIUKPGGA_on_P18507_WT,Low,ChEMBL30,CHEMBL4163464,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3(CC12C)N=N3,XTYPPDSIUKPGGA,XTYPPDSIUKPGGA-UHFFFAOYSA-N,"InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,16,12,21,2,11,13,8,4,7,19,17,22,20,24,25,3,14/E:(22,23)/rA:25CCOCCCCCCCCCCOCCCCCCCCCNN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;s20;s20w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4139379;CHEMBL4139381;CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.700;  5.910;  6.600,6.403,0.35100000000000003,0.248,3.0,6.6,0.1
-XTYPPDSIUKPGGA_on_P28472_WT,Low,ChEMBL30,CHEMBL4163464,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3(CC12C)N=N3,XTYPPDSIUKPGGA,XTYPPDSIUKPGGA-UHFFFAOYSA-N,"InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,16,12,21,2,11,13,8,4,7,19,17,22,20,24,25,3,14/E:(22,23)/rA:25CCOCCCCCCCCCCOCCCCCCCCCNN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;s20;s20w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4139382,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-XTYPPDSIUKPGGA_on_P47870_WT,Low,ChEMBL30,CHEMBL4163464,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3(CC12C)N=N3,XTYPPDSIUKPGGA,XTYPPDSIUKPGGA-UHFFFAOYSA-N,"InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3","""AuxInfo=1/0/N:1,18,23,10,9,5,6,15,16,12,21,2,11,13,8,4,7,19,17,22,20,24,25,3,14/E:(22,23)/rA:25CCOCCCCCCCCCCOCCCCCCCCCNN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;s11s16;s17;s8s17;s19;s20;s4s7s21;s22;s20;s20w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4139379;CHEMBL4139381,PMID:28505538,2017.0,PMID:28505538,2017,0,1,0,0,0,,=,  6.700;  5.910,6.305,0.395,0.395,2.0,6.305,0.395
-XUEKGQFKNRTPSP_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL605921;46227797;CHEMBL605921,N#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12,XUEKGQFKNRTPSP,XUEKGQFKNRTPSP-UHFFFAOYSA-N,"InChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2","""AuxInfo=1/0/N:13,12,14,11,15,6,17,7,16,18,19,22,2,27,5,21,10,8,4,3,29,23,24,25,26,1,28,20,9/E:(2,3)(4,5)(6,7)(8,9)(23,24,25)/rA:29NCCCCCCCOCCCCCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;s8;s5d16;s4;d18;s19;s20;s21;s22;s23;s23;s23;d21;s27;s3s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687;PubChemAID:691032;CHEMBL2156244,PMID:19932615,2010.0,PMID:19932615;PubChemAID:691032;PMID:22352782,2010;2013;2012,0,1;0;1,0,0,0;1;0,,=,  6.730;  6.730;  6.730,6.73,0.0,0.0,3.0,6.73,0.0
-XUFBUSLDAAZEOP_on_Q05586_WT,Low,ChEMBL30,CHEMBL3948381,N#CC1CC1c1cc(C(F)(F)F)cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,XUFBUSLDAAZEOP,XUFBUSLDAAZEOP-UHFFFAOYSA-N,"InChI=1S/C18H10ClF6N5O/c19-14-5-13(18(23,24)25)28-29(14)7-10-4-16(31)30-12(11-1-8(11)6-26)2-9(17(20,21)22)3-15(30)27-10/h2-5,8,11H,1,7H2","""AuxInfo=1/0/N:4,7,13,28,25,2,17,3,8,16,5,6,20,26,14,29,9,21,27,10,11,12,22,23,24,1,15,19,18,31,30/E:(20,21,22)(23,24,25)/rA:31NCCCCCCCCFFFCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s9;s9;s9;d8;s13;d14;s15;s16;s17;s18;d19;s20;s21;s21;s21;s20;s18d25;s26;d16;s28;d29;s6s14s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-XUFBUSLDAAZEOP_on_Q12879_WT,Low,ChEMBL30,CHEMBL3948381,N#CC1CC1c1cc(C(F)(F)F)cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,XUFBUSLDAAZEOP,XUFBUSLDAAZEOP-UHFFFAOYSA-N,"InChI=1S/C18H10ClF6N5O/c19-14-5-13(18(23,24)25)28-29(14)7-10-4-16(31)30-12(11-1-8(11)6-26)2-9(17(20,21)22)3-15(30)27-10/h2-5,8,11H,1,7H2","""AuxInfo=1/0/N:4,7,13,28,25,2,17,3,8,16,5,6,20,26,14,29,9,21,27,10,11,12,22,23,24,1,15,19,18,31,30/E:(20,21,22)(23,24,25)/rA:31NCCCCCCCCFFFCCNCCNNCCFFFCCClCCON/rB:t1;s2;s3;s3s4;s5;d6;s7;s8;s9;s9;s9;d8;s13;d14;s15;s16;s17;s18;d19;s20;s21;s21;s21;s20;s18d25;s26;d16;s28;d29;s6s14s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-XUFKUJQJBRITKF_on_Q14416_WT,High,ChEMBL30,CHEMBL3421839,CCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3cc(C)ncc3)cnn21,XUFKUJQJBRITKF,XUFKUJQJBRITKF-UHFFFAOYSA-N,"InChI=1S/C21H19F3N4O/c1-3-16-12-27(17-6-4-15(5-7-17)21(22,23)24)20(29)19-18(11-26-28(16)19)14-8-9-25-13(2)10-14/h4-11,16H,3,12H2,1-2H3","""AuxInfo=1/0/N:1,23,2,8,14,7,15,26,25,21,27,4,22,20,9,3,6,19,18,16,10,11,12,13,24,28,5,29,17/E:(4,5)(6,7)(22,23,24)/rA:29CCCCNCCCCCFFFCCCOCCCCCCNCCCNN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s10;s9;s6d14;s5;d16;s16;d18;s19;d20;s21;s22;d22;s24;s20d25;s19;d27;s3s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3424504,PMID:25699154,2015.0,PMID:25699154,2015,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-XUGJYLHBJYVXSW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108541,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1,XUGJYLHBJYVXSW,XUGJYLHBJYVXSW-UHFFFAOYSA-N,"InChI=1S/C23H21F3N4O2/c1-13-8-17(9-14(2)28-13)21-19-6-7-31-15(3)12-30(19)22(29-21)16-4-5-20(18(10-16)11-27)32-23(24,25)26/h4-5,8-10,15H,6-7,12H2,1-3H3","""AuxInfo=1/0/N:1,31,11,16,17,7,8,3,29,27,25,12,2,30,10,15,4,24,6,18,5,14,20,21,22,23,26,32,28,13,9,19/E:(1,2)(8,9)(13,14)(24,25,26)/rA:32CCCCCCCCOCCCNCCCCCOCFFFCCNCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s20;s18;s24;t25;s15d24;s5d14;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-XUGRGRMGJJYIJM_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11583075;CHEMBL179939,O=C1c2c(cc(OCc3ccc(-c4n[nH]nn4)cc3)c(Cl)c2Cl)CC1C1CCCC1,XUGRGRMGJJYIJM,XUGRGRMGJJYIJM-UHFFFAOYSA-N,"InChI=1S/C22H20Cl2N4O2/c23-19-17(30-11-12-5-7-14(8-6-12)22-25-27-28-26-22)10-15-9-16(13-3-1-2-4-13)21(29)18(15)20(19)24/h5-8,10,13,16H,1-4,9,11H2,(H,25,26,27,28)","""AuxInfo=1/1/N:28,29,27,30,10,19,11,18,24,5,8,9,26,12,4,25,6,3,20,22,2,13,21,23,14,17,15,16,1,7/E:(1,2)(3,4)(5,6)(7,8)(25,26)(27,28)/rA:30OCCCCCOCCCCCCNNNNCCCClCClCCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s15;s13d16;s12;s9d18;s6;s20;s3d20;s22;s4;s2s24;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  6.914;  6.910,6.912000000000001,0.002,0.002,2.0,6.912000000000001,0.002
-XUJMJGTVTZESCM_on_P14867_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.770;  7.770,7.77,0.0,0.0,2.0,7.77,0.0
-XUJMJGTVTZESCM_on_P18507_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822165;CHEMBL824296;CHEMBL683047;CHEMBL823916;CHEMBL685338;CHEMBL683045;CHEMBL681480;CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  7.770;  7.890;  7.510;  8.170;  9.520;  7.510;  9.520;  8.170;  7.890;  7.770,8.172,0.7070000000000001,0.23600000000000002,10.0,7.89,0.28
-XUJMJGTVTZESCM_on_P28472_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL823916;CHEMBL683047;CHEMBL824296;CHEMBL685338;CHEMBL822165;CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL683045;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039,1998;1998;1998;1998;1998;2000;2000;2000;2000;2000,0,0,0,1,0,,=,  8.170;  7.510;  7.890;  9.520;  7.770;  8.170;  7.890;  9.520;  7.510;  7.770,8.172,0.7070000000000001,0.23600000000000002,10.0,7.89,0.28
-XUJMJGTVTZESCM_on_P31644_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  9.520;  9.520,9.52,0.0,0.0,2.0,9.52,0.0
-XUJMJGTVTZESCM_on_P34903_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.170;  8.170,8.17,0.0,0.0,2.0,8.17,0.0
-XUJMJGTVTZESCM_on_P47869_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL824296,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.890;  7.890,7.89,0.0,0.0,2.0,7.89,0.0
-XUJMJGTVTZESCM_on_Q16445_WT,Low,ChEMBL30,CHEMBL341398,CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1,XUJMJGTVTZESCM,XUJMJGTVTZESCM-UHFFFAOYSA-N,"InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3","""AuxInfo=1/0/N:1,2,17,16,9,10,20,22,18,14,15,8,6,7,12,4,19,23,11,21,13,5,3/rA:23CCOCOCCCCCNCOCCCCCBrCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s8s10;s11;d12;s12;d14;s15;d16;s17;s18;s14d18;s7s15;s21;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-XUJVELVSUPZHQP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115490,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F,XUJVELVSUPZHQP,XUJVELVSUPZHQP-UHFFFAOYSA-N,"InChI=1S/C23H23F4N3O2/c1-13-8-16(9-14(2)28-13)21-19-6-7-32-17(11-24)12-30(19)22(29-21)15-4-5-18(23(25,26)27)20(10-15)31-3/h4-5,8-10,17H,6-7,11-12H2,1-3H3","""AuxInfo=1/0/N:12,15,1,26,27,18,19,10,16,4,22,24,11,14,5,9,21,28,17,3,8,6,29,23,30,31,32,13,7,25,2,20/E:(1,2)(8,9)(13,14)(25,26,27)/rA:32COCCCCNCCCCCNCCCCCCOCCFCNCCCCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s22;s21;s6s17s24;d5;s26;s3d27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-XULLEQBBAWYJLR_on_Q13255_WT,High,ChEMBL30,CHEMBL3786721,Cc1c(C(=O)Nc2cc(Cl)c(N3CCOc4c3cccn4)cc2)occ1,XULLEQBBAWYJLR,XULLEQBBAWYJLR-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-12-6-9-25-17(12)18(24)22-13-4-5-15(14(20)11-13)23-8-10-26-19-16(23)3-2-7-21-19/h2-7,9,11H,8,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,19,18,23,22,26,20,13,25,14,8,2,7,9,11,17,3,4,16,10,21,6,12,5,24,15/rA:26CCCCONCCCClCNCCOCCCCCNCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;s15;s12d16;s17;d18;s19;s16d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.580;  5.580,5.58,0.0,0.0,2.0,5.58,0.0
-XUMGDOVPVSPEDI_on_P41594_WT,Medium,ChEMBL30,CHEMBL3977223,O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccc(F)cc3)cc2C1,XUMGDOVPVSPEDI,XUMGDOVPVSPEDI-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-3-1-14(2-4-15)20(26)24-9-10-25-18(12-24)11-17(23-25)13-27-19-7-5-16(22)6-8-19/h1-8,11H,9-10,12-13H2","""AuxInfo=1/0/N:4,9,5,8,20,23,19,24,11,12,25,27,16,3,6,21,15,26,18,2,7,22,14,10,13,1,17/E:(1,2)(3,4)(5,6)(7,8)/rA:27OCCCCCFCCNCCNNCCOCCCCFCCCCC/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s21;s18d23;s15;s13d25;s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.530,6.53,0.0,0.0,1.0,6.53,0.0
-XUOMDIRLKWTMNK_on_P41594_WT,High,ChEMBL30,CHEMBL271093,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C#N)ccc2)n1,XUOMDIRLKWTMNK,XUOMDIRLKWTMNK-UHFFFAOYSA-N,"InChI=1S/C18H10F3N3/c1-12-10-24-11-15(18(19,20)21)8-17(24)16(23-12)6-5-13-3-2-4-14(7-13)9-22/h2-4,7-8,10-11H,1H3","""AuxInfo=1/0/N:1,22,23,21,15,14,17,11,19,3,5,2,16,18,6,13,12,7,8,9,10,20,24,4/E:(19,20,21)/rA:24CCCNCCCFFFCCCCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;s18;t19;d18;s21;s16d22;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-XURIJTBIMSWSBV_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11415160;CHEMBL182762,Nc1ncc(Br)nc1C(=O)Nc1ccccn1,XURIJTBIMSWSBV,XURIJTBIMSWSBV-UHFFFAOYSA-N,"InChI=1S/C10H8BrN5O/c11-6-5-14-9(12)8(15-6)10(17)16-7-3-1-2-4-13-7/h1-5H,(H2,12,14)(H,13,16,17)","""AuxInfo=1/1/N:14,15,13,16,4,5,12,8,2,9,6,1,17,3,7,11,10/rA:17NCNCCBrNCCONCCCCCN/rB:s1;d2;s3;d4;s5;s5;s2d7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242780;CHEMBL828680,PMID:15686941,2005.0,PubChemAID:242780;PMID:15686941,2010;2005,0;1,0,0,0,1;0,,=,  7.921;  7.920,7.921,0.001,0.001,2.0,7.921,0.001
-XUSKBQJCEPMVBM_on_P41594_WT,High,ChEMBL30,CHEMBL2205377,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)c(F)c1,XUSKBQJCEPMVBM,XUSKBQJCEPMVBM-UHFFFAOYSA-N,"InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3","""AuxInfo=1/0/N:17,18,1,4,5,26,20,8,3,24,6,14,10,11,15,13,22,25,19,21,9,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCNCCSCCCNCCNCNCOCFC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s24;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2211245,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XUSKBQJCEPMVBM_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16725048;CHEMBL2205377,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)c(F)c1,XUSKBQJCEPMVBM,XUSKBQJCEPMVBM-UHFFFAOYSA-N,"InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3","""AuxInfo=1/0/N:17,18,1,4,5,26,20,8,3,24,6,14,10,11,15,13,22,25,19,21,9,16,7,23,2,12/E:(1,2)/rA:26COCCCCNCNCCSCCCNCCNCNCOCFC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s24;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:717243;CHEMBL2211246,PMID:23084894,2012.0,PubChemAID:717243;PMID:23084894,2013;2012,0;1,0,0,0,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-XUTSJUBAOIXPOK_on_P14867_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.100,10.1,0.0,0.0,1.0,10.1,0.0
-XUTSJUBAOIXPOK_on_P18507_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL681480;CHEMBL682251;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.220; 10.100; 10.700; 10.100,10.28,0.247,0.14300000000000002,4.0,10.16,0.06
-XUTSJUBAOIXPOK_on_P28472_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.100; 10.220; 10.700; 10.100,10.28,0.247,0.14300000000000002,4.0,10.16,0.06
-XUTSJUBAOIXPOK_on_P31644_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.100,10.1,0.0,0.0,1.0,10.1,0.0
-XUTSJUBAOIXPOK_on_P34903_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.700,10.7,0.0,0.0,1.0,10.7,0.0
-XUTSJUBAOIXPOK_on_P47869_WT,Low,ChEMBL30,CHEMBL3144696,C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1,XUTSJUBAOIXPOK,XUTSJUBAOIXPOK-UHFFFAOYSA-N,"InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,22H","""AuxInfo=1/0/N:1,2,16,15,17,14,18,4,5,22,8,3,13,21,9,6,20,10,7,19,12,11/E:(4,5)(6,7)/rA:22CCCCCCNCCCONCCCCCCNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s6s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=, 10.220,10.22,0.0,0.0,1.0,10.22,0.0
-XUUQEFSRPJIEFX_on_P41594_WT,Low,ChEMBL30,CHEMBL1784057,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,XUUQEFSRPJIEFX,XUUQEFSRPJIEFX-UHFFFAOYSA-N,"InChI=1S/C18H14BrN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,22,5,11,9,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCNSCCNCNCCCCBrCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-XUUQEFSRPJIEFX_on_Q13255_WT,High,ChEMBL30,CHEMBL1784057,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(Br)cc2)c1=O,XUUQEFSRPJIEFX,XUUQEFSRPJIEFX-UHFFFAOYSA-N,"InChI=1S/C18H14BrN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,20,23,19,24,4,10,16,2,21,18,7,14,13,6,8,25,22,5,11,9,15,17,26,12/E:(3,4)(5,6)/rA:26CCCCNCCCNCNSCCNCNCCCCBrCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-XUWOPDSTCQMYBU_on_P41594_WT,High,ChEMBL30,CHEMBL183230,Cc1nc(C#Cc2cc(-c3ncccc3)cnc2)cs1,XUWOPDSTCQMYBU,XUWOPDSTCQMYBU-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-5-13-8-14(10-17-9-13)16-4-2-3-7-18-16/h2-4,7-11H,1H3","""AuxInfo=1/0/N:1,14,13,15,6,5,12,8,18,16,19,2,7,9,4,10,17,11,3,20/rA:20CCNCCCCCCCNCCCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-XUXNAXLIKFSAFP_on_P41594_WT,High,ChEMBL30,CHEMBL378365,CC1C(=O)N=C(NC(=O)Nc2cccc(Cl)c2)N1C,XUXNAXLIKFSAFP,XUXNAXLIKFSAFP-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4O2/c1-7-10(18)15-11(17(7)2)16-12(19)14-9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,19,13,14,12,17,2,15,11,3,6,8,16,10,5,7,18,4,9/rA:19CCCONCNCONCCCCCClCNC/rB:s1;s2;d3;s3;w?5;s6;s7;d8;s8;s10;d11;s12;d13;s14;s15;s11d15;s2s6;s18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-XUXQNXFWMCHZMB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3961520,Cc1cc(Nc2c3ncccc3n[nH]2)ccc1Cl,XUXQNXFWMCHZMB,XUXQNXFWMCHZMB-UHFFFAOYSA-N,"InChI=1S/C13H11ClN4/c1-8-7-9(4-5-10(8)14)16-13-12-11(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,10,11,15,16,9,3,2,4,17,12,7,6,18,8,5,13,14/rA:18CCCCNCCNCCCCNNCCCCl/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.790,6.79,0.0,0.0,1.0,6.79,0.0
-XUXUBWLCLZNEFG_on_P14867_WT,Low,ChEMBL30,CHEMBL119395,CC(C)N(C(=O)C=CC=Cc1cc2c(cc1)OCO2)C(C)C,XUXUBWLCLZNEFG,XUXUBWLCLZNEFG-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-13(2)19(14(3)4)18(20)8-6-5-7-15-9-10-16-17(11-15)22-12-21-16/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,21,22,9,8,10,7,16,15,12,18,2,20,11,14,13,5,4,6,17,19/E:(1,2,3,4)(13,14)/rA:22CCCNCOCCCCCCCCCCOCOCCC/rB:s1;s2;s2;s4;d5;s5;w?7;s8;w?9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13s18;s4;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-XUXUBWLCLZNEFG_on_P18507_WT,Low,ChEMBL30,CHEMBL119395,CC(C)N(C(=O)C=CC=Cc1cc2c(cc1)OCO2)C(C)C,XUXUBWLCLZNEFG,XUXUBWLCLZNEFG-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-13(2)19(14(3)4)18(20)8-6-5-7-15-9-10-16-17(11-15)22-12-21-16/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,21,22,9,8,10,7,16,15,12,18,2,20,11,14,13,5,4,6,17,19/E:(1,2,3,4)(13,14)/rA:22CCCNCOCCCCCCCCCCOCOCCC/rB:s1;s2;s2;s4;d5;s5;w?7;s8;w?9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13s18;s4;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-XUXUBWLCLZNEFG_on_P47870_WT,Low,ChEMBL30,CHEMBL119395,CC(C)N(C(=O)C=CC=Cc1cc2c(cc1)OCO2)C(C)C,XUXUBWLCLZNEFG,XUXUBWLCLZNEFG-UHFFFAOYSA-N,"InChI=1S/C18H23NO3/c1-13(2)19(14(3)4)18(20)8-6-5-7-15-9-10-16-17(11-15)22-12-21-16/h5-11,13-14H,12H2,1-4H3","""AuxInfo=1/0/N:1,3,21,22,9,8,10,7,16,15,12,18,2,20,11,14,13,5,4,6,17,19/E:(1,2,3,4)(13,14)/rA:22CCCNCOCCCCCCCCCCOCOCCC/rB:s1;s2;s2;s4;d5;s5;w?7;s8;w?9;s10;d11;s12;d13;s14;s11d15;s14;s17;s13s18;s4;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.060,4.06,0.0,0.0,1.0,4.06,0.0
-XUYWOWROBBRKEO_on_P18507_WT,Low,ChEMBL30,CHEMBL1081494,O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21)C1CC1,XUYWOWROBBRKEO,XUYWOWROBBRKEO-UHFFFAOYSA-N,"InChI=1S/C16H13ClN6O/c17-14-13-6-23-15(18-7-20-23)11-5-10(21-16(24)9-1-2-9)3-4-12(11)22(13)8-19-14/h3-5,7-9H,1-2,6H2,(H,21,24)","""AuxInfo=1/1/N:23,24,5,6,9,15,12,20,22,4,8,7,16,17,10,2,18,11,19,13,3,21,14,1/E:(1,2)/rA:24OCNCCCCCCCNCNNCCCClNCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;s17;d19;s7s16s20;s2;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-XUYWOWROBBRKEO_on_P28472_WT,Low,ChEMBL30,CHEMBL1081494,O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21)C1CC1,XUYWOWROBBRKEO,XUYWOWROBBRKEO-UHFFFAOYSA-N,"InChI=1S/C16H13ClN6O/c17-14-13-6-23-15(18-7-20-23)11-5-10(21-16(24)9-1-2-9)3-4-12(11)22(13)8-19-14/h3-5,7-9H,1-2,6H2,(H,21,24)","""AuxInfo=1/1/N:23,24,5,6,9,15,12,20,22,4,8,7,16,17,10,2,18,11,19,13,3,21,14,1/E:(1,2)/rA:24OCNCCCCCCCNCNNCCCClNCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;s17;d19;s7s16s20;s2;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-XUYWOWROBBRKEO_on_P31644_WT,Low,ChEMBL30,CHEMBL1081494,O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21)C1CC1,XUYWOWROBBRKEO,XUYWOWROBBRKEO-UHFFFAOYSA-N,"InChI=1S/C16H13ClN6O/c17-14-13-6-23-15(18-7-20-23)11-5-10(21-16(24)9-1-2-9)3-4-12(11)22(13)8-19-14/h3-5,7-9H,1-2,6H2,(H,21,24)","""AuxInfo=1/1/N:23,24,5,6,9,15,12,20,22,4,8,7,16,17,10,2,18,11,19,13,3,21,14,1/E:(1,2)/rA:24OCNCCCCCCCNCNNCCCClNCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;s17;d19;s7s16s20;s2;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-XVAGDGYSYFRXHH_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46836497;CHEMBL1830705,Cc1nc(Nc2nc3c(CCc4c-3cn[nH]4)s2)ccc1,XVAGDGYSYFRXHH,XVAGDGYSYFRXHH-UHFFFAOYSA-N,"InChI=1S/C14H13N5S/c1-8-3-2-4-12(16-8)17-14-18-13-9-7-15-19-10(9)5-6-11(13)20-14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,16,17,18)","""AuxInfo=1/1/N:1,19,20,18,11,10,14,2,13,12,9,4,8,6,15,3,5,7,16,17/rA:20CCNCNCNCCCCCCCNNSCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s8d12;s13;d14;s12s15;s6s9;d4;s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.041;  6.040,6.04,0.0,0.0,2.0,6.04,0.001
-XVDOLQADSKHXGB_on_Q13255_WT,High,ChEMBL30,CHEMBL1951671,COc1cc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)ccc1,XVDOLQADSKHXGB,XVDOLQADSKHXGB-UHFFFAOYSA-N,"InChI=1S/C18H14N2O3S/c1-22-12-5-3-4-11(10-12)20-9-7-13-15-14(23-2)6-8-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3","""AuxInfo=1/0/N:1,16,23,22,24,17,8,18,7,4,5,3,9,14,13,10,12,20,19,6,21,2,15,11/rA:24COCCCNCCCCSCCCOCCCNCOCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;d14;s17;s12d18;s6s10;d20;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-XVEWYBDCUDKTQX_on_O15399_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_O60391_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_Q05586_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_Q12879_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_Q13224_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVEWYBDCUDKTQX_on_Q14957_WT,Low,ChEMBL30,CHEMBL1194448,O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1,XVEWYBDCUDKTQX,XVEWYBDCUDKTQX-UHFFFAOYSA-N,"InChI=1S/C16H21N4O7P/c21-14-15(22)19-13-11(6-10(20(23)24)7-12(13)18-14)16(28(25,26)27)17-8-9-4-2-1-3-5-9/h6-7,9,16-17H,1-5,8H2,(H,18,21)(H,19,22)(H2,25,26,27)","""AuxInfo=1/1/N:13,12,14,11,15,5,28,9,10,4,6,27,20,24,22,7,8,26,21,2,25,23,1,3,17,18,19,16/E:(2,3)(4,5)(23,24)(25,26,27)/CRV:20.5/rA:28ON+O-CCCCNCCCCCCCPOOOCNCOCONCC/rB:d1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;d16;s16;s16;d6;s20;d21;s22;s22;s24;d24;s20s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-XVFDXLSYSCRNLQ_on_P14867_WT,Low,ChEMBL30,CHEMBL1814295,C=CCc1cc(-c2c(OC)ccc(CC=C)c2)c(O)cc1,XVFDXLSYSCRNLQ,XVFDXLSYSCRNLQ-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)16(12-14)17-13-15(7-5-2)9-11-19(17)21-3/h4-5,8-13,20H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,16,10,2,15,3,14,21,12,20,11,5,17,4,13,6,7,18,8,19,9/rA:21CCCCCCCCOCCCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s8;d11;s12;s13;s14;d15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-XVFDXLSYSCRNLQ_on_P47870_WT,Low,ChEMBL30,CHEMBL1814295,C=CCc1cc(-c2c(OC)ccc(CC=C)c2)c(O)cc1,XVFDXLSYSCRNLQ,XVFDXLSYSCRNLQ-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)16(12-14)17-13-15(7-5-2)9-11-19(17)21-3/h4-5,8-13,20H,1-2,6-7H2,3H3","""AuxInfo=1/0/N:1,16,10,2,15,3,14,21,12,20,11,5,17,4,13,6,7,18,8,19,9/rA:21CCCCCCCCOCCCCCCCCCOCC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s9;s8;d11;s12;s13;s14;d15;s7d13;d6;s18;s18;s4d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  4.260,4.26,0.0,0.0,1.0,4.26,0.0
-XVFJUDUNNHPHLN_on_O00591_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_O14764_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P14867_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P18505_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P18507_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P28472_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P31644_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P34903_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P47869_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P47870_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P48169_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_P78334_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_Q16445_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVFJUDUNNHPHLN_on_Q99928_WT,Low,ChEMBL30,CHEMBL186607,CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl,XVFJUDUNNHPHLN,XVFJUDUNNHPHLN-UHFFFAOYSA-N,"InChI=1S/C11H7Cl3F3N3S/c1-21-10-7(14)9(18)20(19-10)8-5(12)2-4(3-6(8)13)11(15,16)17/h2-3H,18H2,1H3","""AuxInfo=1/0/N:1,9,15,10,7,16,20,6,18,3,11,8,17,21,12,13,14,19,4,5,2/E:(2,3)(5,6)(12,13)(15,16,17)/rA:21CSCNNCCClCCCFFFCCClCNCCl/rB:s1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-XVIAWIGHZWXABW_on_Q13255_WT,High,ChEMBL30,CHEMBL3628088,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cscn1,XVIAWIGHZWXABW,XVIAWIGHZWXABW-UHFFFAOYSA-N,"InChI=1S/C18H10ClN3O3S/c19-13-7-10(21-16(23)14-8-26-9-20-14)5-6-15(13)22-17(24)11-3-1-2-4-12(11)18(22)25/h1-9H,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,25,4,12,11,19,22,7,2,17,9,20,26,3,8,1,18,10,24/E:(1,2)(3,4)(11,12)(17,18)(24,25)/rA:26OCNCCCCNCOCCCCCCCOCClCCCSCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,=,  5.350;  5.350,5.35,0.0,0.0,2.0,5.35,0.0
-XVKZCVMFSSJNJN_on_P31644_WT,High,ChEMBL30,CHEMBL3681543,Cc1nc(-c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)n[nH]1,XVKZCVMFSSJNJN,XVKZCVMFSSJNJN-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2/c1-12-16(18(24-26-12)14-6-4-3-5-7-14)11-25-17-9-8-15(10-20-17)19-21-13(2)22-23-19/h3-10H,11H2,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:13,1,20,19,21,18,22,6,7,24,10,12,2,17,5,11,8,16,4,23,3,26,25,15,9,14/E:(4,5)(6,7)/rA:26CCNCCCCCOCCCCONCCCCCCCNCNN/rB:s1;d2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;d4;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.960,8.96,0.0,0.0,1.0,8.96,0.0
-XVMWMBDDCWVPDG_on_P14867_WT,Low,ChEMBL30,CHEMBL595422,COc1c(OC)cc(C2Oc3c(ccc(O)c3)CC2OC(C)=O)cc1,XVMWMBDDCWVPDG,XVMWMBDDCWVPDG-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-11(20)24-18-8-12-4-6-14(21)10-16(12)25-19(18)13-5-7-15(22-2)17(9-13)23-3/h4-7,9-10,18-19,21H,8H2,1-3H3","""AuxInfo=1/0/N:22,1,6,13,24,14,25,18,7,17,21,12,8,15,3,11,4,19,9,23,16,2,5,20,10/rA:25COCCOCCCCOCCCCCOCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s15;s11d15;s12;s9s18;s19;s20;s21;d21;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-XVMWMBDDCWVPDG_on_P18507_WT,Low,ChEMBL30,CHEMBL595422,COc1c(OC)cc(C2Oc3c(ccc(O)c3)CC2OC(C)=O)cc1,XVMWMBDDCWVPDG,XVMWMBDDCWVPDG-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-11(20)24-18-8-12-4-6-14(21)10-16(12)25-19(18)13-5-7-15(22-2)17(9-13)23-3/h4-7,9-10,18-19,21H,8H2,1-3H3","""AuxInfo=1/0/N:22,1,6,13,24,14,25,18,7,17,21,12,8,15,3,11,4,19,9,23,16,2,5,20,10/rA:25COCCOCCCCOCCCCCOCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s15;s11d15;s12;s9s18;s19;s20;s21;d21;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-XVMWMBDDCWVPDG_on_P47870_WT,Low,ChEMBL30,CHEMBL595422,COc1c(OC)cc(C2Oc3c(ccc(O)c3)CC2OC(C)=O)cc1,XVMWMBDDCWVPDG,XVMWMBDDCWVPDG-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-11(20)24-18-8-12-4-6-14(21)10-16(12)25-19(18)13-5-7-15(22-2)17(9-13)23-3/h4-7,9-10,18-19,21H,8H2,1-3H3","""AuxInfo=1/0/N:22,1,6,13,24,14,25,18,7,17,21,12,8,15,3,11,4,19,9,23,16,2,5,20,10/rA:25COCCOCCCCOCCCCCOCCCOCCOCC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s9;s10;d11;s12;d13;s14;s15;s11d15;s12;s9s18;s19;s20;s21;d21;s8;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1066115,PMID:19783443,2009.0,PMID:19783443,2009,0,1,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-XVRJCLURPRHMAW_on_P31644_WT,High,ChEMBL30,CHEMBL3681480,Cc1c(CNc2ccc(C(=O)NC3CC3)cn2)c(-c2ccc(F)cc2)no1,XVRJCLURPRHMAW,XVRJCLURPRHMAW-UHFFFAOYSA-N,"InChI=1S/C20H19FN4O2/c1-12-17(19(25-27-12)13-2-5-15(21)6-3-13)11-23-18-9-4-14(10-22-18)20(26)24-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,23)(H,24,26)","""AuxInfo=1/1/N:1,20,25,8,21,24,14,15,7,16,4,2,19,9,22,13,3,6,18,10,23,17,5,12,26,11,27/E:(2,3)(5,6)(7,8)/rA:27CCCCNCCCCCONCCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-XVRONCOEBFKZEW_on_O00591_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_O14764_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P14867_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P18505_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P18507_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P28472_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P31644_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P34903_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P47869_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P47870_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P48169_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_P78334_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_Q16445_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVRONCOEBFKZEW_on_Q99928_WT,Low,ChEMBL30,CHEMBL78880,c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1,XVRONCOEBFKZEW,XVRONCOEBFKZEW-UHFFFAOYSA-N,"InChI=1S/C19H19N5/c1-3-14(20-7-1)9-13-11-22-17-6-5-15(10-16(13)17)24-12-23-18-4-2-8-21-19(18)24/h2,4-6,8,10-12,14,20,22H,1,3,7,9H2","""AuxInfo=1/0/N:22,1,21,6,15,14,23,2,19,11,17,8,18,20,10,12,13,5,4,24,3,16,7,9/rA:24CCNCCCNCNCCCCCCNCCCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;d7;s4s8;s9;d10;s11;d12;s13;s10d14;s13;s16;s12d17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-XVXXBLCNXUKTRD_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799181,CCNC(=O)c1c(C)sc2nc(C(C)c3c(F)c(C(F)(F)F)ccc3)cc(=O)n12,XVXXBLCNXUKTRD,XVXXBLCNXUKTRD-UHFFFAOYSA-N,"InChI=1S/C19H17F4N3O2S/c1-4-24-17(28)16-10(3)29-18-25-13(8-14(27)26(16)18)9(2)11-6-5-7-12(15(11)20)19(21,22)23/h5-9H,4H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:1,14,8,2,24,25,23,26,13,7,15,18,12,27,16,6,4,10,19,17,20,21,22,3,11,29,28,5,9/E:(21,22,23)/rA:29CCNCOCCCSCNCCCCCFCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s13;d15;s16;s16;s18;s19;s19;s19;d18;s23;s15d24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-XVXXBLCNXUKTRD_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799181,CCNC(=O)c1c(C)sc2nc(C(C)c3c(F)c(C(F)(F)F)ccc3)cc(=O)n12,XVXXBLCNXUKTRD,XVXXBLCNXUKTRD-UHFFFAOYSA-N,"InChI=1S/C19H17F4N3O2S/c1-4-24-17(28)16-10(3)29-18-25-13(8-14(27)26(16)18)9(2)11-6-5-7-12(15(11)20)19(21,22)23/h5-9H,4H2,1-3H3,(H,24,28)","""AuxInfo=1/1/N:1,14,8,2,24,25,23,26,13,7,15,18,12,27,16,6,4,10,19,17,20,21,22,3,11,29,28,5,9/E:(21,22,23)/rA:29CCNCOCCCSCNCCCCCFCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;s13;d15;s16;s16;s18;s19;s19;s19;d18;s23;s15d24;d12;s26;d27;s6s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-XVYNFGHABTVKJL_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2204437,COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1,XVYNFGHABTVKJL,XVYNFGHABTVKJL-UHFFFAOYSA-N,"InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-18(9-5-16)21(24)22-14-12-19(23)13-15-22/h4-11,19,23H,12-15H2,1H3","""AuxInfo=1/0/N:1,8,7,10,23,5,24,11,22,4,25,17,20,16,21,9,6,12,18,3,13,15,19,14,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25COCCCCCCCCCCCONCCCOCCCCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;d13;s13;s15;s16;s17;s18;s18;s15s20;s12;s9d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2213655,PMID:22607673,2012.0,PMID:22607673,2012,1,0,0,0,0,,=,  5.420;  5.420,5.42,0.0,0.0,2.0,5.42,0.0
-XVZKCJYHDNPXTK_on_Q14833_WT,Low,ChEMBL30,CHEMBL1223161,O=C(Nc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccccn1,XVZKCJYHDNPXTK,XVZKCJYHDNPXTK-UHFFFAOYSA-N,"InChI=1S/C16H17N3O3S/c20-16(15-6-1-2-11-17-15)18-12-7-9-14(10-8-12)23(21,22)19-13-4-3-5-13/h1-2,6-11,13,19H,3-5H2,(H,18,20)","""AuxInfo=1/1/N:20,21,14,13,15,19,5,17,6,16,22,4,12,7,18,2,23,3,11,1,9,10,8/E:(4,5)(7,8)(9,10)(21,22)/CRV:23.6/rA:23OCNCCCCSOONCCCCCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;s12;s13;s12s14;s7;s4d16;s2;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192,PMID:20667732,2010.0,PMID:20667732,2010,0,1,0,0,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-XWHFTNKPKIFYPY_on_O00591_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_O14764_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P14867_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P18505_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P18507_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P28472_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P31644_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P34903_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P47869_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P47870_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P48169_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_P78334_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681822;CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/0960-894X(95)00430-2;DOI:10.1016/S0960-894X(01)80991-4,1995;1993,1,0,0,0,0,,=,  5.700;  5.660,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_Q16445_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWHFTNKPKIFYPY_on_Q99928_WT,Low,ChEMBL30,CHEMBL299256,CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C,XWHFTNKPKIFYPY,XWHFTNKPKIFYPY-UHFFFAOYSA-N,"InChI=1S/C17H19N3O2/c1-4-9-22-17(21)13-10(2)19-16-14(15(13)18)11-7-5-6-8-12(11)20(16)3/h5-8H,4,9H2,1-3H3,(H2,18,19)","""AuxInfo=1/1/N:1,9,22,2,19,18,20,17,3,8,15,16,7,12,13,11,5,14,10,21,6,4/rA:22CCCOCOCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s12;d15;s16;d17;s18;s15d19;s11s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606;CHEMBL681822,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4;DOI:10.1016/0960-894X(95)00430-2,1993;1995,1,0,0,0,0,,=,  5.660;  5.700,5.68,0.02,0.02,2.0,5.68,0.02
-XWOJZKUZLYUIGS_on_P41594_WT,High,ChEMBL30,CHEMBL3601905,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CC3)cn2)cn1,XWOJZKUZLYUIGS,XWOJZKUZLYUIGS-UHFFFAOYSA-N,"InChI=1S/C19H18ClN5OS/c1-11-2-5-14(10-22-11)24-17-15(20)8-13(9-23-17)16(12-3-4-12)25-18(26)19-21-6-7-27-19/h2,5-10,12,16H,3-4H2,1H3,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:1,3,22,23,4,18,19,10,24,26,2,21,11,5,8,12,7,14,16,9,17,27,25,6,13,15,20/E:(3,4)/rA:27CCCCCNCCClCCCNCOCNCCSCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s21s22;s11;s7d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-XWZMJFFBQCEPGX_on_P18507_WT,Low,ChEMBL30,CHEMBL1783265,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC(C)C5)C4=O)nc23)c1,XWZMJFFBQCEPGX,XWZMJFFBQCEPGX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-13-9-14(10-13)27-12-19-21(24(27)28)22(25)17-6-4-5-16(23(17)26-19)18-11-15(29-2)7-8-20(18)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H2,25,26)","""AuxInfo=1/1/N:24,1,8,12,11,13,4,5,22,25,30,19,23,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(9,10)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s23;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-XWZMJFFBQCEPGX_on_P28472_WT,Low,ChEMBL30,CHEMBL1783265,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC(C)C5)C4=O)nc23)c1,XWZMJFFBQCEPGX,XWZMJFFBQCEPGX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-13-9-14(10-13)27-12-19-21(24(27)28)22(25)17-6-4-5-16(23(17)26-19)18-11-15(29-2)7-8-20(18)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H2,25,26)","""AuxInfo=1/1/N:24,1,8,12,11,13,4,5,22,25,30,19,23,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(9,10)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s23;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-XWZMJFFBQCEPGX_on_P47869_WT,Low,ChEMBL30,CHEMBL1783265,COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC(C)C5)C4=O)nc23)c1,XWZMJFFBQCEPGX,XWZMJFFBQCEPGX-UHFFFAOYSA-N,"InChI=1S/C24H25N3O3/c1-13-9-14(10-13)27-12-19-21(24(27)28)22(25)17-6-4-5-16(23(17)26-19)18-11-15(29-2)7-8-20(18)30-3/h4-8,11,13-14H,9-10,12H2,1-3H3,(H2,25,26)","""AuxInfo=1/1/N:24,1,8,12,11,13,4,5,22,25,30,19,23,21,3,10,14,9,18,6,17,15,29,26,16,28,20,27,2,7/E:(9,10)/rA:30COCCCCOCCCCCCCCNCCCNCCCCCCONCC/rB:s1;s2;d3;s4;d5;s6;s7;s6;s9;d10;s11;d12;s13;d14;s15;s15;d17;s18;s19;s20;s21;s22;s23;s21s23;s17s20;d26;s18;s10s14d28;s3d9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.840,7.84,0.0,0.0,1.0,7.84,0.0
-XXAHGANHKMWQKV_on_P18507_WT,Low,ChEMBL30,CHEMBL1077416,Fc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,XXAHGANHKMWQKV,XXAHGANHKMWQKV-UHFFFAOYSA-N,"InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,16,1,9,17,11,19,12/rA:19FCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-XXAHGANHKMWQKV_on_P28472_WT,Low,ChEMBL30,CHEMBL1077416,Fc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,XXAHGANHKMWQKV,XXAHGANHKMWQKV-UHFFFAOYSA-N,"InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,16,1,9,17,11,19,12/rA:19FCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-XXAHGANHKMWQKV_on_P31644_WT,Low,ChEMBL30,CHEMBL1077416,Fc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21,XXAHGANHKMWQKV,XXAHGANHKMWQKV-UHFFFAOYSA-N,"InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2","""AuxInfo=1/0/N:3,4,7,13,10,18,2,6,5,14,15,8,16,1,9,17,11,19,12/rA:19FCCCCCCCNCNNCCCClNCN/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;s15;d17;s5s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111361,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-XXBZVNPPIUPMNT_on_Q14833_WT,Low,ChEMBL30,CHEMBL474989,COC(=O)c1ccc(N2C(=O)c3c(cccc3)NC2C(C)c2ccccc2)cc1,XXBZVNPPIUPMNT,XXBZVNPPIUPMNT-UHFFFAOYSA-N,"InChI=1S/C24H22N2O3/c1-16(17-8-4-3-5-9-17)22-25-21-11-7-6-10-20(21)23(27)26(22)19-14-12-18(13-15-19)24(28)29-2/h3-16,22,25H,1-2H3","""AuxInfo=1/0/N:21,1,25,24,26,16,15,23,27,17,14,6,29,7,28,20,22,5,8,12,13,19,10,3,18,9,11,4,2/E:(4,5)(8,9)(12,13)(14,15)/rA:29COCOCCCCNCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s10;d12;s13;d14;s15;s12d16;s13;s9s18;s19;s20;s20;d22;s23;d24;s25;s22d26;s8;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL948800,PMID:19097893,2009.0,PMID:19097893,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XXCWFCSFROWMCJ_on_P41594_WT,Low,ChEMBL30,CHEMBL428771,Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(C(F)(F)F)cc2)n1,XXCWFCSFROWMCJ,XXCWFCSFROWMCJ-UHFFFAOYSA-N,"InChI=1S/C18H10F6N2/c1-11-9-26-10-14(18(22,23)24)8-16(26)15(25-11)7-4-12-2-5-13(6-3-12)17(19,20)21/h2-3,5-6,8-10H,1H3","""AuxInfo=1/0/N:1,17,25,15,18,24,14,11,3,5,2,16,19,6,13,12,20,7,21,22,23,8,9,10,26,4/E:(2,3)(5,6)(19,20,21)(22,23,24)/rA:26CCCNCCCFFFCCCCCCCCCCFFFCCN/rB:s1;d2;s3;s4;d5;s6;s7;s7;s7;s6;s4d11;s12;s13;t14;s15;d16;s17;d18;s19;s20;s20;s20;s19;s16d24;s2d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,<,  4.800,4.8,0.0,0.0,1.0,4.8,0.0
-XXGJRXZALRZGMM_on_P18507_WT,Low,ChEMBL30,CHEMBL1783236,CCC(C)(C)N1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,XXGJRXZALRZGMM,XXGJRXZALRZGMM-UHFFFAOYSA-N,"InChI=1S/C24H27N3O3/c1-6-24(2,3)27-13-18-20(23(27)28)21(25)16-9-7-8-15(22(16)26-18)17-12-14(29-4)10-11-19(17)30-5/h7-12H,6,13H2,1-5H3,(H2,25,26)","""AuxInfo=1/1/N:1,4,5,23,28,2,16,17,15,24,25,20,7,21,18,14,19,8,26,9,12,29,10,3,13,30,6,11,22,27/E:(2,3)/rA:30CCCCCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s3;s3;s6;s7;d8;s6s9;d10;s9;s12;d12;s14;d15;s16;d17;s18;d19;s20;s21;s22;d21;s24;s19d25;s26;s27;s14s18;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-XXGJRXZALRZGMM_on_P28472_WT,Low,ChEMBL30,CHEMBL1783236,CCC(C)(C)N1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,XXGJRXZALRZGMM,XXGJRXZALRZGMM-UHFFFAOYSA-N,"InChI=1S/C24H27N3O3/c1-6-24(2,3)27-13-18-20(23(27)28)21(25)16-9-7-8-15(22(16)26-18)17-12-14(29-4)10-11-19(17)30-5/h7-12H,6,13H2,1-5H3,(H2,25,26)","""AuxInfo=1/1/N:1,4,5,23,28,2,16,17,15,24,25,20,7,21,18,14,19,8,26,9,12,29,10,3,13,30,6,11,22,27/E:(2,3)/rA:30CCCCCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s3;s3;s6;s7;d8;s6s9;d10;s9;s12;d12;s14;d15;s16;d17;s18;d19;s20;s21;s22;d21;s24;s19d25;s26;s27;s14s18;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-XXGJRXZALRZGMM_on_P47869_WT,Low,ChEMBL30,CHEMBL1783236,CCC(C)(C)N1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2,XXGJRXZALRZGMM,XXGJRXZALRZGMM-UHFFFAOYSA-N,"InChI=1S/C24H27N3O3/c1-6-24(2,3)27-13-18-20(23(27)28)21(25)16-9-7-8-15(22(16)26-18)17-12-14(29-4)10-11-19(17)30-5/h7-12H,6,13H2,1-5H3,(H2,25,26)","""AuxInfo=1/1/N:1,4,5,23,28,2,16,17,15,24,25,20,7,21,18,14,19,8,26,9,12,29,10,3,13,30,6,11,22,27/E:(2,3)/rA:30CCCCCNCCCCOCNCCCCCCCCOCCCCOCCN/rB:s1;s2;s3;s3;s3;s6;s7;d8;s6s9;d10;s9;s12;d12;s14;d15;s16;d17;s18;d19;s20;s21;s22;d21;s24;s19d25;s26;s27;s14s18;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-XXGYXSBVKSTSIS_on_Q13255_WT,High,ChEMBL30,CHEMBL246840,Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C1CCCCCC1,XXGYXSBVKSTSIS,XXGYXSBVKSTSIS-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-14-21-18-17(13-20-23(18)16-11-7-4-8-12-16)19(24)22(14)15-9-5-2-3-6-10-15/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3","""AuxInfo=1/0/N:1,21,22,12,20,23,11,13,19,24,10,14,6,2,18,9,5,4,15,7,3,17,8,16/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:24CCNCCCNNCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s9d13;s5;d15;s2s15;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.120,6.12,0.0,0.0,1.0,6.12,0.0
-XXIAOXVQWLJIRI_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1629866;11442010,CCOc1c(C(F)(F)F)cc2NC(=O)CC(c3cc(-c4cc(C)ncc4)ccc3)=Nc2c1,XXIAOXVQWLJIRI,XXIAOXVQWLJIRI-UHFFFAOYSA-N,"InChI=1S/C24H20F3N3O2/c1-3-32-22-12-21-20(11-18(22)24(25,26)27)30-23(31)13-19(29-21)17-6-4-5-15(10-17)16-7-8-28-14(2)9-16/h4-12H,3,13H2,1-2H3,(H,30,31)","""AuxInfo=1/1/N:1,23,2,28,27,29,26,25,21,18,10,32,15,22,19,20,17,5,16,11,31,4,13,6,7,8,9,24,30,12,14,3/E:(25,26,27)/rA:32CCOCCCFFFCCNCOCCCCCCCCCNCCCCCNCC/rB:s1;s2;s3;d4;s5;s6;s6;s6;s5;d10;s11;s12;d13;s13;s15;s16;d17;s18;s19;d20;s21;s22;d22;s24;s20d25;d19;s27;s17d28;w?16;s11s30;s4d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1639554;PubChemAID:548400,PMID:20971004,2010.0,PMID:20971004;PubChemAID:548400,2010;2011,1;0,0,0,0,0;1,,=,  7.820;  7.824,7.822,0.002,0.002,2.0,7.822,0.002
-XXRKXVKJMSIZSM_on_P14867_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002;CHEMBL853068,PMID:16392789,2006.0,PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  8.920;  8.920,8.92,0.0,0.0,2.0,8.92,0.0
-XXRKXVKJMSIZSM_on_P18507_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853068;CHEMBL864003;CHEMBL853070;CHEMBL864004;CHEMBL864002;CHEMBL864005,PMID:16392789,2006.0,PMID:16480260;PMID:16392789;PMID:16480260;PMID:16392789;PMID:16392789;PMID:16392789,2006,0,0,0,1,0,,=,  8.920;  9.000;  9.140;  9.140;  8.920;  9.300,9.07,0.13699999999999998,0.061,6.0,9.07,0.11
-XXRKXVKJMSIZSM_on_P28472_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864003;CHEMBL864002;CHEMBL853070;CHEMBL864005;CHEMBL853068;CHEMBL864004,PMID:16392789,2006.0,PMID:16392789;PMID:16392789;PMID:16480260;PMID:16392789;PMID:16480260;PMID:16392789,2006,0,0,0,1,0,,=,  9.000;  8.920;  9.140;  9.300;  8.920;  9.140,9.07,0.13699999999999998,0.061,6.0,9.07,0.11
-XXRKXVKJMSIZSM_on_P31644_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.300,9.3,0.0,0.0,1.0,9.3,0.0
-XXRKXVKJMSIZSM_on_P34903_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004,PMID:16392789,2006.0,PMID:16392789,2006,0,0,0,1,0,,=,  9.140,9.14,0.0,0.0,1.0,9.14,0.0
-XXRKXVKJMSIZSM_on_P47869_WT,Low,ChEMBL30,CHEMBL369902,N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,XXRKXVKJMSIZSM,XXRKXVKJMSIZSM-UHFFFAOYSA-N,"InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H","""AuxInfo=1/0/N:14,7,8,13,26,27,4,29,2,17,15,3,5,9,10,11,16,21,19,22,6,12,23,24,25,1,18,20,28/E:(23,24,25)/rA:29NCCCCFCCCCCFCCCCCNCNCCFFFCCNC/rB:t1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;s11;d13;s14;s15;d16;s17;d18;s19;d20;s21;s22;s22;s22;s21;d26;s16s19s27;s10d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL864003;CHEMBL853070,PMID:16392789,2006.0,PMID:16392789;PMID:16480260,2006,0,0,0,1,0,,=,  9.000;  9.140,9.07,0.07,0.07,2.0,9.07,0.07
-XXTYQEKUMZLRNC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3960828,O=C(NC12CCCC(C#Cc3cc(F)ccc3)(CC1)C2)c1cnccn1,XXTYQEKUMZLRNC,XXTYQEKUMZLRNC-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)","""AuxInfo=1/1/N:16,6,17,15,10,7,5,9,18,19,24,25,12,22,20,11,13,21,2,8,4,14,23,26,3,1/rA:26OCNCCCCCCCCCCFCCCCCCCCNCCN/rB:d1;s2;s3;s4;s5;s6;s7;s8;t9;s10;d11;s12;s13;d13;s15;s11d16;s8;s4s18;s4s8;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887707;CHEMBL3887708,PATENT:US9212165B2,2015.0,PATENT:US9212165B2,2015,0;1,0,0,1;0,0,,=,  8.520;  8.920,8.72,0.2,0.2,2.0,8.72,0.2
-XXVFFMJLOKOSQM_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647570,CCn1cnc2c1nncc2-c1cccc(-c2ccc3c(c2)CCS3(=O)=O)c1,XXVFFMJLOKOSQM,XXVFFMJLOKOSQM-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-2-25-13-22-20-18(12-23-24-21(20)25)16-5-3-4-14(10-16)15-6-7-19-17(11-15)8-9-28(19,26)27/h3-7,10-13H,2,8-9H2,1H3","""AuxInfo=1/0/N:1,2,14,15,13,18,19,23,24,28,22,10,4,16,17,12,21,11,20,6,7,5,9,8,3,26,27,25/E:(26,27)/CRV:28.6/rA:28CCNCNCCNNCCCCCCCCCCCCCCCSOOC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s21;s23;s20s24;d25;d25;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-XXVICTWJFBFLSE_on_P41594_WT,High,ChEMBL30,CHEMBL2426620,O=C1c2c(CCN1C1CC1)nc(COc1ccccc1)s2,XXVICTWJFBFLSE,XXVICTWJFBFLSE-UHFFFAOYSA-N,"InChI=1S/C16H16N2O2S/c19-16-15-13(8-9-18(16)11-6-7-11)17-14(21-15)10-20-12-4-2-1-3-5-12/h1-5,11H,6-10H2","""AuxInfo=1/0/N:18,17,19,16,20,9,10,5,6,13,8,15,4,12,3,2,11,7,1,14,21/E:(2,3)(4,5)(6,7)/rA:21OCCCCCNCCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s8s9;s4;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;s3s12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  5.840;  5.840,5.84,0.0,0.0,2.0,5.84,0.0
-XXVQXGKSBMSCHX_on_P14867_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.150,7.15,0.0,0.0,1.0,7.15,0.0
-XXVQXGKSBMSCHX_on_P18507_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL681841;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.150;  7.580;  7.920;  8.920,7.893,0.653,0.377,4.0,7.75,0.385
-XXVQXGKSBMSCHX_on_P28472_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.920;  8.920;  7.150;  7.580,7.893,0.653,0.377,4.0,7.75,0.385
-XXVQXGKSBMSCHX_on_P31644_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.920,8.92,0.0,0.0,1.0,8.92,0.0
-XXVQXGKSBMSCHX_on_P34903_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-XXVQXGKSBMSCHX_on_P47869_WT,Low,ChEMBL30,CHEMBL53587,c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1,XXVQXGKSBMSCHX,XXVQXGKSBMSCHX-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2","""AuxInfo=1/0/N:1,2,30,18,17,24,3,29,25,23,19,27,28,16,13,26,22,4,14,9,10,5,8,11,15,6,7,20,21,12/E:(2,3)(7,8)/rA:30CCCCCNNCCCCOCCNCCCCNNCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s24;s9s25;s26;s22s27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-XXZGNAZRWCBSBK_on_O15399_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XXZGNAZRWCBSBK_on_O60391_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XXZGNAZRWCBSBK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XXZGNAZRWCBSBK_on_Q05586_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL750561;CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.570;  8.100;  4.530,6.4,1.462,1.034,3.0,6.57,1.53
-XXZGNAZRWCBSBK_on_Q12879_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL750561;CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  6.570;  8.100,7.335,0.765,0.765,2.0,7.335,0.765
-XXZGNAZRWCBSBK_on_Q13224_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.100;  4.530,6.315,1.785,1.785,2.0,6.315,1.785
-XXZGNAZRWCBSBK_on_Q14957_WT,Low,ChEMBL30,CHEMBL273636,CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1,XXZGNAZRWCBSBK,XXZGNAZRWCBSBK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)","""AuxInfo=1/1/N:1,7,6,8,22,27,23,26,2,21,24,5,9,16,11,13,4,25,3,10,15,12,14,18,19,20,17/E:(5,6)(7,8)(24,25,26)/rA:27CCNCCCCCCNCOCONCPOOOCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s11;d11;s13;s13;s5s9d15;s4;d17;s17;s17;s2;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XYCDYOGCZKBXGO_on_O00222_WT,Low,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712470,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-XYCDYOGCZKBXGO_on_P41594_WT,Low,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-XYCDYOGCZKBXGO_on_Q13255_WT,Low,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  3.623,3.623,0.0,0.0,1.0,3.623,0.0
-XYCDYOGCZKBXGO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718205,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.380,4.38,0.0,0.0,1.0,4.38,0.0
-XYCDYOGCZKBXGO_on_Q14832_WT,Medium,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718348,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.390,4.39,0.0,0.0,1.0,4.39,0.0
-XYCDYOGCZKBXGO_on_Q14833_WT,Low,ChEMBL30,CHEMBL60164,NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1,XYCDYOGCZKBXGO,XYCDYOGCZKBXGO-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)7(8)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:17,16,18,6,12,21,13,14,19,7,8,3,2,15,20,1,11,9,10,4,5/E:(2,3)(8,9)(14,15)(18,19)(20,21)/rA:21NCCOOCCCOONCCCClCCCCClC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s14;d16;s17;s13d18;s19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715497,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-XYCORZCGVTXZFU_on_Q13255_WT,Medium,ChEMBL30,CHEMBL2204334,NC(C(=O)O)C12CC(c3n[nH]nn3)(C1)C2,XYCORZCGVTXZFU,XYCORZCGVTXZFU-UHFFFAOYSA-N,"InChI=1S/C8H11N5O2/c9-4(5(14)15)7-1-8(2-7,3-7)6-10-12-13-11-6/h4H,1-3,9H2,(H,14,15)(H,10,11,12,13)","""AuxInfo=1/1/N:7,14,15,2,3,9,6,8,1,10,13,11,12,4,5/E:(1,2,3)(10,11)(12,13)(14,15)/rA:15NCCOOCCCCNNNNCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s6s8;s6s8;/rC:;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2208702,PMID:21413808,2011.0,PMID:21413808,2011,1,0,0,0,0,,=,  4.160,4.16,0.0,0.0,1.0,4.16,0.0
-XYDFYDIKOFTSOJ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3759672,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1,XYDFYDIKOFTSOJ,XYDFYDIKOFTSOJ-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5O3/c1-23-8-7-21-15(23)16(25)22-10-4-5-13(12(19)9-10)24-17(26)11-3-2-6-20-14(11)18(24)27/h2-9H,1H3,(H,22,25)","""AuxInfo=1/1/N:1,21,22,11,12,20,4,3,27,10,17,25,13,18,6,7,15,23,26,19,5,9,2,14,8,16,24/rA:27CNCCNCCONCCCCNCOCCNCCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,>;<,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-XYDFYDIKOFTSOJ_on_Q14833_WT,Low,ChEMBL30,CHEMBL3759672,Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1,XYDFYDIKOFTSOJ,XYDFYDIKOFTSOJ-UHFFFAOYSA-N,"InChI=1S/C18H12ClN5O3/c1-23-8-7-21-15(23)16(25)22-10-4-5-13(12(19)9-10)24-17(26)11-3-2-6-20-14(11)18(24)27/h2-9H,1H3,(H,22,25)","""AuxInfo=1/1/N:1,21,22,11,12,20,4,3,27,10,17,25,13,18,6,7,15,23,26,19,5,9,2,14,8,16,24/rA:27CNCCNCCONCCCCNCOCCNCCCCOCClC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XYKDESCFCVKMAD_on_Q14833_WT,High,ChEMBL30,CHEMBL4241532,Cc1nn(CC2CCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,XYKDESCFCVKMAD,XYKDESCFCVKMAD-UHFFFAOYSA-N,"InChI=1S/C19H20N6/c1-12-15-10-14(21-19-18-16(22-23-19)6-3-9-20-18)7-8-17(15)25(24-12)11-13-4-2-5-13/h3,6-10,13H,2,4-5,11H2,1H3,(H2,21,22,23)","""AuxInfo=1/1/N:1,8,19,7,9,20,24,25,18,12,5,2,6,13,11,21,10,16,15,17,14,22,23,3,4/E:(4,5)/rA:25CCNNCCCCCCCCCNCCNCCCCNNCC/rB:s1;d2;s3;s4;s5;s6;s7;s6s8;s4;s2d10;s11;d12;s13;s14;d15;s16;d17;s18;d19;s16s20;d21;s15s22;s13;s10d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-XYLGLGFZLQRDKD_on_O00591_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_O14764_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P14867_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P18505_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P18507_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P28472_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P31644_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P34903_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P47869_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P47870_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P48169_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_P78334_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_Q16445_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLGLGFZLQRDKD_on_Q99928_WT,Low,ChEMBL30,CHEMBL153979,CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1,XYLGLGFZLQRDKD,XYLGLGFZLQRDKD-UHFFFAOYSA-N,"InChI=1S/C18H13ClN4O3/c1-11(12-5-3-2-4-6-12)26-18(24)14-10-20-22-16-9-13(19)7-8-15(16)23(25)21-17(14)22/h2-11H,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,16,17,13,20,2,21,14,6,11,12,7,4,15,19,8,18,9,5,10,3/E:(3,4)(5,6)/CRV:23.5/rA:26CCOCOCCNN+O-CCCCClCCNNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s9;d11;s12;d13;s14;s14;s11d16;s7s12;s18;s6d19;s2;d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-XYLIZJMVSVAJKK_on_Q13255_WT,High,ChEMBL30,CHEMBL3634414,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,XYLIZJMVSVAJKK,XYLIZJMVSVAJKK-UHFFFAOYSA-N,"InChI=1S/C20H14N2O4/c1-12-10-11-26-17(12)18(23)21-13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-16(15)20(22)25/h2-11H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,8,23,9,22,26,25,2,7,10,15,14,3,4,20,12,6,11,5,21,13,24/E:(2,3)(4,5)(6,7)(8,9)(15,16)(19,20)(24,25)/rA:26CCCCONCCCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-XYLIZJMVSVAJKK_on_Q14833_WT,Low,ChEMBL30,CHEMBL3634414,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1,XYLIZJMVSVAJKK,XYLIZJMVSVAJKK-UHFFFAOYSA-N,"InChI=1S/C20H14N2O4/c1-12-10-11-26-17(12)18(23)21-13-6-8-14(9-7-13)22-19(24)15-4-2-3-5-16(15)20(22)25/h2-11H,1H3,(H,21,23)","""AuxInfo=1/1/N:1,17,18,16,19,8,23,9,22,26,25,2,7,10,15,14,3,4,20,12,6,11,5,21,13,24/E:(2,3)(4,5)(6,7)(8,9)(15,16)(19,20)(24,25)/rA:26CCCCONCCCCNCOCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XYQZBAPGVRTOEI_on_P41594_WT,High,ChEMBL30,CHEMBL4241776,COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)ccc2)nn1,XYQZBAPGVRTOEI,XYQZBAPGVRTOEI-UHFFFAOYSA-N,"InChI=1S/C52H70N8O5S/c1-42-54-45(41-66-42)25-23-43-19-18-20-47(35-43)64-40-52(61)53-27-14-11-16-29-57(2)28-15-9-7-5-6-8-10-17-30-60-38-46(55-56-60)39-65-50-26-24-44(36-51(50)63-4)37-58-31-33-59(34-32-58)48-21-12-13-22-49(48)62-3/h12-13,18-22,24,26,35-36,38,41H,5-11,14-17,27-34,37,39-40H2,1-4H3,(H,53,61)","""AuxInfo=1/1/N:60,40,14,1,34,33,35,32,36,31,43,17,16,44,37,42,30,63,62,64,18,15,54,21,55,22,45,38,41,29,8,20,9,19,52,4,6,27,25,49,57,59,53,5,56,26,51,11,12,23,3,47,46,61,66,65,39,7,10,28,48,13,2,50,24,58/E:(31,32)(33,34)/rA:66COCCCCNCCNCCOCCCCCCCCCCOCCCNCCCCCCCCCCNCCCCCCNCOCOCCCCCCCSCCNCCCNN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s12;d15;s16;s11d17;s10;s7s19;d5;s21;s3d22;s23;s24;s25;d26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s39;s41;s42;s43;s44;s45;s46;d47;s47;s49;s50;d51;s52;s53;t54;s55;d56;s57;s58;s59;s56d59;d53;s62;s51d63;s28;s26d65;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4236723,PMID:30180563,2018.0,PMID:30180563,2018,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-XYTZQUCMUFIGKB_on_P41594_WT,High,ChEMBL30,CHEMBL3736335,Fc1ccc(-c2noc(C3CCc4c(C3)nnn4C3CCOC3)n2)cc1,XYTZQUCMUFIGKB,XYTZQUCMUFIGKB-UHFFFAOYSA-N,"InChI=1S/C18H18FN5O2/c19-13-4-1-11(2-5-13)17-20-18(26-22-17)12-3-6-16-15(9-12)21-23-24(16)14-7-8-25-10-14/h1-2,4-5,12,14H,3,6-10H2","""AuxInfo=1/0/N:4,25,11,3,26,12,20,21,15,23,5,10,2,19,14,13,6,9,1,24,16,7,17,18,22,8/E:(1,2)(4,5)/rA:26FCCCCCNOCCCCCCCNNNCCCOCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s10s14;s14;d16;s13s17;s18;s19;s20;s21;s19s22;s6d9;s5;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-XYUNGPDLSILKBR_on_P14867_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  5.690;  5.690,5.69,0.0,0.0,2.0,5.69,0.0
-XYUNGPDLSILKBR_on_P18507_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681480;CHEMBL685338;CHEMBL683047;CHEMBL822165;CHEMBL824296;CHEMBL823916;CHEMBL681248;CHEMBL683045,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039,2000;2000;2000;1998;1998;1998;1998;1998;2000;2000,0,0,0,1,0,,=,  5.690;  5.540;  6.430;  6.430;  6.020;  5.690;  5.540;  5.540;  5.540;  6.020,5.843999999999999,0.341,0.114,10.0,5.69,0.15
-XYUNGPDLSILKBR_on_P28472_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683047;CHEMBL822165;CHEMBL823916;CHEMBL685338;CHEMBL682251;CHEMBL683045;CHEMBL681480;CHEMBL678329;CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039,1998;1998;1998;1998;2000;2000;2000;2000;1998;2000,0,0,0,1,0,,=,  6.020;  5.690;  5.540;  6.430;  5.540;  6.020;  6.430;  5.690;  5.540;  5.540,5.843999999999999,0.341,0.114,10.0,5.69,0.15
-XYUNGPDLSILKBR_on_P31644_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  6.430;  6.430,6.43,0.0,0.0,2.0,6.43,0.0
-XYUNGPDLSILKBR_on_P34903_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL823916;CHEMBL682251,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-XYUNGPDLSILKBR_on_P47869_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  5.540;  5.540,5.54,0.0,0.0,2.0,5.54,0.0
-XYUNGPDLSILKBR_on_Q16445_WT,Low,ChEMBL30,CHEMBL45174,CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1,XYUNGPDLSILKBR,XYUNGPDLSILKBR-UHFFFAOYSA-N,"InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3","""AuxInfo=1/0/N:1,10,2,3,4,5,16,15,19,8,21,17,13,6,14,7,11,18,22,9,20,12/rA:22CCCCCCCCNCCOCCCCCClCNCN/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;s9;d11;s11;d13;s14;d15;s16;s17;s13d17;s7s14;s20;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  6.020;  6.020,6.02,0.0,0.0,2.0,6.02,0.0
-XYWPLMRGWADGHX_on_P31644_WT,High,ChEMBL30,CHEMBL3676481,Cc1c(COc2ccc(C(=O)NC3CCCC3)cn2)c(-c2ccccc2)no1,XYWPLMRGWADGHX,XYWPLMRGWADGHX-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-15-19(21(25-28-15)16-7-3-2-4-8-16)14-27-20-12-11-17(13-23-20)22(26)24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,24,23,25,15,16,22,26,14,17,8,7,18,4,2,21,9,13,3,6,20,10,19,12,27,11,5,28/E:(3,4)(5,6)(7,8)(9,10)/rA:28CCCCOCCCCCONCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s13s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s21d25;d20;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-XZAXSFVOHFUEQA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110543,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(C)C)c(C)c3)n2)cc(C)n1,XZAXSFVOHFUEQA,XZAXSFVOHFUEQA-UHFFFAOYSA-N,"InChI=1S/C25H30FN3O2/c1-15(2)31-23-7-6-19(10-16(23)3)25-28-24(20-11-17(4)27-18(5)12-20)22-8-9-30-21(13-26)14-29(22)25/h6-7,10-12,15,21H,8-9,13-14H2,1-5H3","""AuxInfo=1/0/N:22,23,25,1,30,17,18,7,8,26,3,28,11,13,21,24,2,29,16,4,10,6,19,5,15,12,31,27,14,9,20/E:(1,2)(4,5)(11,12)(17,18)/rA:31CCCCCCCCOCCFCNCCCCCOCCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s19;s24;s16d24;s5d15;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.740,8.74,0.0,0.0,1.0,8.74,0.0
-XZBFQWRAIYRPPZ_on_P41594_WT,High,ChEMBL30,CHEMBL578995,Cc1c(-c2ccc3C(=O)N(C4CC4)Cc3c2)nnn1-c1c(F)nccc1,XZBFQWRAIYRPPZ,XZBFQWRAIYRPPZ-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,25,26,5,12,13,6,24,16,14,2,4,15,11,7,20,3,21,8,22,23,17,18,10,19,9/E:(5,6)/rA:26CCCCCCCCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11s12;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1038284,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-XZBFQWRAIYRPPZ_on_Q13255_WT,High,ChEMBL30,CHEMBL578995,Cc1c(-c2ccc3C(=O)N(C4CC4)Cc3c2)nnn1-c1c(F)nccc1,XZBFQWRAIYRPPZ,XZBFQWRAIYRPPZ-UHFFFAOYSA-N,"InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3","""AuxInfo=1/0/N:1,25,26,5,12,13,6,24,16,14,2,4,15,11,7,20,3,21,8,22,23,17,18,10,19,9/E:(5,6)/rA:26CCCCCCCCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11s12;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-XZFFFJPETMKNMZ_on_P41594_WT,High,ChEMBL30,CHEMBL2153792,Cc1nc(C(=O)Nc2nn(C)cc2)c2[nH]cc(-c3ccccn3)c2c1,XZFFFJPETMKNMZ,XZFFFJPETMKNMZ-UHFFFAOYSA-N,"InChI=1S/C18H16N6O/c1-11-9-12-13(14-5-3-4-7-19-14)10-20-16(12)17(21-11)18(25)22-15-6-8-24(2)23-15/h3-10,20H,1-2H3,(H,22,23,25)","""AuxInfo=1/1/N:1,11,20,21,19,13,22,12,25,16,2,24,17,18,8,14,4,5,23,15,3,7,9,10,6/rA:25CCNCCONCNNCCCCNCCCCCCCNCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s10;s10;s8d12;d4;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s14s17;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2156622,PMID:22963764,2012.0,PMID:22963764,2012,1,0,0,0,0,,=,  7.190,7.19,0.0,0.0,1.0,7.19,0.0
-XZFMJVJDSYRWDQ_on_O00222_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XZFMJVJDSYRWDQ_on_O15303_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL718130,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  3.959,3.9589999999999996,0.0,0.0,1.0,3.9589999999999996,0.0
-XZFMJVJDSYRWDQ_on_P41594_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XZFMJVJDSYRWDQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-XZFMJVJDSYRWDQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-XZFMJVJDSYRWDQ_on_Q14831_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL712461,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-XZFMJVJDSYRWDQ_on_Q14832_WT,Medium,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL717238;CHEMBL818777,PMID:10397508,1999.0,PMID:10893301;PMID:10397508,2000;1999,0,0;1,0,1;0,0,,=,  6.390;  5.520,5.955,0.435,0.435,2.0,5.955,0.435
-XZFMJVJDSYRWDQ_on_Q14833_WT,Low,ChEMBL30,CHEMBL40086,NC1(C(=O)O)CNC(C(=O)O)C1,XZFMJVJDSYRWDQ,XZFMJVJDSYRWDQ-UHFFFAOYSA-N,"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:12,6,8,9,3,2,1,7,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCNCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL716502,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-XZGAUWDIDBKXNR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115297,CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1CC,XZGAUWDIDBKXNR,XZGAUWDIDBKXNR-UHFFFAOYSA-N,"InChI=1S/C24H29N3O2/c1-5-18-7-8-20(14-22(18)28-6-2)24-26-23(19-9-11-25-16(3)13-19)21-10-12-29-17(4)15-27(21)24/h7-9,11,13-14,17H,5-6,10,12,15H2,1-4H3","""AuxInfo=1/0/N:29,1,15,22,28,2,26,25,11,18,12,19,16,5,23,14,21,27,10,6,17,4,9,7,13,8,24,3,20/rA:29CCOCCCCNCCCCNCCCCCCOCCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s21;s7s17s23;d6;s25;s4d26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-XZGRNYZXYCNDHI_on_O15399_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_O60391_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_Q05586_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_Q12879_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_Q13224_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZGRNYZXYCNDHI_on_Q14957_WT,Low,ChEMBL30,CHEMBL79186,Cc1c(N=C(N)Nc2c(I)cccc2)cccc1,XZGRNYZXYCNDHI,XZGRNYZXYCNDHI-UHFFFAOYSA-N,"InChI=1S/C14H14IN3/c1-10-6-2-4-8-12(10)17-14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3,(H3,16,17,18)","""AuxInfo=1/1/N:1,17,12,16,13,18,11,15,14,2,9,3,8,5,10,6,4,7/rA:18CCCNCNNCCICCCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s8d13;s3;d15;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-XZJOHJLRBAQIDO_on_Q14833_WT,High,ChEMBL30,CHEMBL4097178,ON=c1cc(-c2ncc3sccc3c2)oc2c1cccc2,XZJOHJLRBAQIDO,XZJOHJLRBAQIDO-UHFFFAOYSA-N,"InChI=1S/C16H10N2O2S/c19-18-12-8-15(20-14-4-2-1-3-11(12)14)13-7-10-5-6-21-16(10)9-17-13/h1-9,19H","""AuxInfo=1/0/N:19,20,18,21,12,11,14,4,8,13,17,3,6,16,5,9,7,2,1,15,10/rA:21ONCCCCNCCSCCCCOCCCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  6.890,6.89,0.0,0.0,1.0,6.89,0.0
-XZKIGXHSDARKJA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL246724;44441354,O=C(Nc1ccc(F)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1,XZKIGXHSDARKJA,XZKIGXHSDARKJA-UHFFFAOYSA-N,"InChI=1S/C21H14FN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)","""AuxInfo=1/1/N:18,19,25,26,17,20,24,6,5,27,9,11,10,7,16,15,4,23,2,21,13,8,28,3,12,1,22,14/E:(1,2)(5,6)(15,16)(20,21)(27,28)/rA:28OCNCCCCFCCCNCOCCCCCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s12s16;d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  5.820;  5.824,5.822,0.002,0.002,2.0,5.822,0.002
-XZMKCHCODYEMPF_on_P41594_WT,Low,ChEMBL30,CHEMBL1428707,Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1,XZMKCHCODYEMPF,XZMKCHCODYEMPF-UHFFFAOYSA-N,"InChI=1S/C16H14N2O2/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3","""AuxInfo=1/0/N:5,1,15,14,16,13,17,3,4,2,12,6,7,10,9,19,8,20,11,18/E:(4,5)(6,7)/rA:20CCCCCCCNCCOCCCCCCOCN/rB:s1;d2;s3;s4;d4;s6;s7;d7;s9;d10;s10;d12;s13;d14;s15;s12d16;s9;s6s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-XZNCMNXNIYRHSH_on_P41594_WT,High,ChEMBL30,CHEMBL1289574,O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1,XZNCMNXNIYRHSH,XZNCMNXNIYRHSH-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN2O2/c20-17-3-1-16(2-4-17)19(21)7-11-23(12-8-19)18(24)14-25-13-15-5-9-22-10-6-15/h1-6,9-10H,7-8,11-14H2","""AuxInfo=1/0/N:18,23,19,22,7,11,14,24,8,10,13,25,5,3,6,17,20,2,15,21,16,9,12,1,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25OCCOCCCCNCCNCCCFCCCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;s15;d17;s18;d19;s20;s20;s17d22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-XZPQCOBZJYKNSJ_on_P41594_WT,High,ChEMBL30,CHEMBL2431407,Cn1cnc2c1cc(-c1cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n1)cc2,XZPQCOBZJYKNSJ,XZPQCOBZJYKNSJ-UHFFFAOYSA-N,"InChI=1S/C27H26N8O/c1-32-19-30-22-9-8-21(16-24(22)32)23-17-35(26(31-23)20-6-3-2-4-7-20)18-25(36)33-12-14-34(15-13-33)27-28-10-5-11-29-27/h2-11,16-17,19H,12-15,18H2,1H3","""AuxInfo=1/0/N:1,31,30,32,22,29,33,35,36,21,23,16,26,17,25,7,10,12,3,28,8,5,9,6,13,27,19,20,24,4,34,2,15,18,11,14/E:(3,4)(6,7)(10,11)(12,13)(14,15)(28,29)/rA:36CNCNCCCCCCNCCONCCNCNCCCNCCCCCCCCCNCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s8;d9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s18;s15s25;s11;s27;d28;s29;d30;s31;s28d32;s9d27;s8;s5d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2433294,PMID:24900753,2013.0,PMID:24900753,2013,0,1,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-XZQGWQIWLXSEBC_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289836,O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(O)c3)C(O)C2)CC1,XZQGWQIWLXSEBC,XZQGWQIWLXSEBC-UHFFFAOYSA-N,"InChI=1S/C22H26N2O3/c25-19-6-7-20-17(14-19)8-11-24(15-21(20)26)18-9-12-23(13-10-18)22(27)16-4-2-1-3-5-16/h1-7,14,18,21,25-26H,8-13,15H2","""AuxInfo=1/0/N:6,5,7,4,8,19,18,15,11,26,14,10,27,22,25,3,16,12,20,17,23,2,9,13,21,24,1/E:(2,3)(4,5)(9,10)(12,13)/rA:27OCCCCCCCNCCCNCCCCCCCOCCOCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s17;s23;s13s23;s12;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-XZQGWQIWLXSEBC_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289836,O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(O)c3)C(O)C2)CC1,XZQGWQIWLXSEBC,XZQGWQIWLXSEBC-UHFFFAOYSA-N,"InChI=1S/C22H26N2O3/c25-19-6-7-20-17(14-19)8-11-24(15-21(20)26)18-9-12-23(13-10-18)22(27)16-4-2-1-3-5-16/h1-7,14,18,21,25-26H,8-13,15H2","""AuxInfo=1/0/N:6,5,7,4,8,19,18,15,11,26,14,10,27,22,25,3,16,12,20,17,23,2,9,13,21,24,1/E:(2,3)(4,5)(9,10)(12,13)/rA:27OCCCCCCCNCCCNCCCCCCCOCCOCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s17;s23;s13s23;s12;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-XZTRSBKCRFMSHO_on_P14867_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.210,6.21,0.0,0.0,1.0,6.21,0.0
-XZTRSBKCRFMSHO_on_P18507_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111451;CHEMBL1111449;CHEMBL1111450;CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.230;  6.210;  6.160;  7.890,6.622999999999999,0.732,0.423,4.0,6.22,0.035
-XZTRSBKCRFMSHO_on_P28472_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111449;CHEMBL1111451;CHEMBL1111448;CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.210;  6.230;  7.890;  6.160,6.622999999999999,0.732,0.423,4.0,6.22,0.035
-XZTRSBKCRFMSHO_on_P31644_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-XZTRSBKCRFMSHO_on_P34903_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1111451,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-XZTRSBKCRFMSHO_on_P47869_WT,Low,ChEMBL30,CHEMBL1080397,COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1,XZTRSBKCRFMSHO,XZTRSBKCRFMSHO-UHFFFAOYSA-N,"InChI=1S/C15H14BrN5O/c1-9-13-6-21-15(18-14(19-21)7-22-2)11-5-10(16)3-4-12(11)20(13)8-17-9/h3-5,8H,6-7H2,1-2H3","""AuxInfo=1/0/N:10,1,19,20,16,7,3,12,9,17,15,14,8,4,21,18,11,22,5,13,6,2/rA:22COCCNNCCCCNCNCCCCBrCCCN/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;s9;d11;s8s12;s13;d14;s15;d16;s17;s17;s14d19;s6s15;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450,PMID:19740657,2009.0,PMID:19740657,2009,0,0,0,1,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YABCOKXBPACNCE_on_O00591_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_O14764_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P14867_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P18505_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P18507_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P28472_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P31644_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P34903_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P47869_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P47870_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P48169_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_P78334_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_Q16445_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABCOKXBPACNCE_on_Q99928_WT,Low,ChEMBL30,CHEMBL128348,CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1,YABCOKXBPACNCE,YABCOKXBPACNCE-UHFFFAOYSA-N,"InChI=1S/C16H18N2O/c1-16(2,3)10-19-15-8-12-11-6-4-5-7-13(11)18-14(12)9-17-15/h4-9,18H,10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,15,16,14,17,19,9,5,13,18,12,10,7,2,8,11,6/E:(1,2,3)/rA:19CCCCCOCNCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YABYCKKYALWPEX_on_P41594_WT,High,ChEMBL30,CHEMBL1630062,Cc1c(C(C)OC(=O)Nc2ccc(Cl)cc2)oc2ncnn12,YABYCKKYALWPEX,YABYCKKYALWPEX-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,18,20)","""AuxInfo=1/1/N:1,5,12,15,11,16,20,2,4,13,10,3,18,7,14,19,21,9,22,8,6,17/E:(3,4)(5,6)/rA:22CCCCCOCONCCCCClCCOCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s13;s10d15;s3;s17;d18;s19;d20;s2s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  5.600,5.6,0.0,0.0,1.0,5.6,0.0
-YACCVVUNICRPSW_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290386,COc1ccc(C2(CCCN3CCc4c(ccc(OCc5ccccc5)c4)C(O)C3)OCC(C)(C)CO2)cc1,YACCVVUNICRPSW,YACCVVUNICRPSW-UHFFFAOYSA-N,"InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3","""AuxInfo=1/0/N:34,35,1,24,23,25,9,22,26,5,38,4,39,17,16,13,8,10,12,27,30,20,32,36,21,14,6,3,18,15,28,33,7,11,29,2,19,31,37/E:(1,2)(5,6)(8,9)(10,11)(12,13)(23,24)(38,39)/rA:39COCCCCCCCCNCCCCCCCOCCCCCCCCCOCOCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s14d18;s15;s28;s11s28;s7;s31;s32;s33;s33;s33;s7s36;s6;s3d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-YACCVVUNICRPSW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290386,COc1ccc(C2(CCCN3CCc4c(ccc(OCc5ccccc5)c4)C(O)C3)OCC(C)(C)CO2)cc1,YACCVVUNICRPSW,YACCVVUNICRPSW-UHFFFAOYSA-N,"InChI=1S/C33H41NO5/c1-32(2)23-38-33(39-24-32,27-10-12-28(36-3)13-11-27)17-7-18-34-19-16-26-20-29(14-15-30(26)31(35)21-34)37-22-25-8-5-4-6-9-25/h4-6,8-15,20,31,35H,7,16-19,21-24H2,1-3H3","""AuxInfo=1/0/N:34,35,1,24,23,25,9,22,26,5,38,4,39,17,16,13,8,10,12,27,30,20,32,36,21,14,6,3,18,15,28,33,7,11,29,2,19,31,37/E:(1,2)(5,6)(8,9)(10,11)(12,13)(23,24)(38,39)/rA:39COCCCCCCCCNCCCCCCCOCCCCCCCCCOCOCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s14d18;s15;s28;s11s28;s7;s31;s32;s33;s33;s33;s7s36;s6;s3d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-YACVJANLLKEODL_on_P18507_WT,Low,ChEMBL30,CHEMBL198203,N#Cc1cc(-c2cc(NCc3ccccc3)nnc2)ccc1,YACVJANLLKEODL,YACVJANLLKEODL-UHFFFAOYSA-N,"InChI=1S/C18H14N4/c19-11-15-7-4-8-16(9-15)17-10-18(22-21-13-17)20-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,20,22)","""AuxInfo=1/1/N:14,13,15,21,12,16,22,20,4,7,2,10,19,11,3,5,6,8,1,9,18,17/E:(2,3)(5,6)/rA:22NCCCCCCCNCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.820;  8.210,8.015,0.195,0.195,2.0,8.015,0.195
-YACVJANLLKEODL_on_P28472_WT,Low,ChEMBL30,CHEMBL198203,N#Cc1cc(-c2cc(NCc3ccccc3)nnc2)ccc1,YACVJANLLKEODL,YACVJANLLKEODL-UHFFFAOYSA-N,"InChI=1S/C18H14N4/c19-11-15-7-4-8-16(9-15)17-10-18(22-21-13-17)20-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,20,22)","""AuxInfo=1/1/N:14,13,15,21,12,16,22,20,4,7,2,10,19,11,3,5,6,8,1,9,18,17/E:(2,3)(5,6)/rA:22NCCCCCCCNCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883659;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.210;  7.820,8.015,0.195,0.195,2.0,8.015,0.195
-YACVJANLLKEODL_on_P31644_WT,Low,ChEMBL30,CHEMBL198203,N#Cc1cc(-c2cc(NCc3ccccc3)nnc2)ccc1,YACVJANLLKEODL,YACVJANLLKEODL-UHFFFAOYSA-N,"InChI=1S/C18H14N4/c19-11-15-7-4-8-16(9-15)17-10-18(22-21-13-17)20-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,20,22)","""AuxInfo=1/1/N:14,13,15,21,12,16,22,20,4,7,2,10,19,11,3,5,6,8,1,9,18,17/E:(2,3)(5,6)/rA:22NCCCCCCCNCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-YACVJANLLKEODL_on_P34903_WT,Low,ChEMBL30,CHEMBL198203,N#Cc1cc(-c2cc(NCc3ccccc3)nnc2)ccc1,YACVJANLLKEODL,YACVJANLLKEODL-UHFFFAOYSA-N,"InChI=1S/C18H14N4/c19-11-15-7-4-8-16(9-15)17-10-18(22-21-13-17)20-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,20,22)","""AuxInfo=1/1/N:14,13,15,21,12,16,22,20,4,7,2,10,19,11,3,5,6,8,1,9,18,17/E:(2,3)(5,6)/rA:22NCCCCCCCNCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;d8;s17;s6d18;d5;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-YADXSBFQBGFCOT_on_Q14833_WT,High,ChEMBL30,CHEMBL3810046,Cc1c(S(=O)(=O)Cc2ccc(F)cc2F)sc(NC(=O)c2ccccn2)n1,YADXSBFQBGFCOT,YADXSBFQBGFCOT-UHFFFAOYSA-N,"InChI=1S/C17H13F2N3O3S2/c1-10-16(27(24,25)9-11-5-6-12(18)8-13(11)19)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,22,9,10,25,13,7,2,8,11,14,21,19,3,17,12,15,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCCCFCCFSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;d10;s11;s11;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9192603B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.260;  6.260,6.26,0.0,0.0,2.0,6.26,0.0
-YAHZRBSLBAJZOS_on_P31644_WT,High,ChEMBL30,CHEMBL3681497;CHEMBL3681498;CHEMBL3681492,Cc1c(COc2ccc(C(=O)NC(C)CO)cn2)c(-c2ccccc2)no1,YAHZRBSLBAJZOS,YAHZRBSLBAJZOS-UHFFFAOYSA-N,"InChI=1S/C20H21N3O4/c1-13(11-24)22-20(25)16-8-9-18(21-10-16)26-12-17-14(2)27-23-19(17)15-6-4-3-5-7-15/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)","""AuxInfo=1/1/N:14,1,23,22,24,21,25,8,7,17,15,4,13,2,20,9,3,6,19,10,18,12,26,16,11,5,27/E:(4,5)(6,7)/rA:27CCCCOCCCCCONCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.770;  9.150;  9.000,8.972999999999999,0.156,0.111,3.0,9.0,0.15
-YAIMDSUHHAEJHD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3960845,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCCC4)nc4ccccc43)cc2n1,YAIMDSUHHAEJHD,YAIMDSUHHAEJHD-UHFFFAOYSA-N,"InChI=1S/C29H25FN4O/c30-21-12-10-19(11-13-21)23-16-26(28(31)35)32-25-15-18(9-14-22(23)25)17-34-27-8-4-3-7-24(27)33-29(34)20-5-1-2-6-20/h3-4,7-16,20H,1-2,5-6,17H2,(H2,31,35)","""AuxInfo=1/1/N:23,24,29,30,22,25,28,31,16,8,13,9,12,15,33,5,18,17,7,21,10,14,6,27,34,4,32,2,20,11,1,35,26,19,3/E:(1,2)(5,6)(10,11)(12,13)/rA:35NCOCCCCCCCFCCCCCCCNCCCCCCNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s21s24;d20;s26;d27;s28;d29;s30;s19s27d31;d17;s14s33;s4d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-YAJOQWSFSHQIJQ_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1682810;CHEMBL1682810;53320114,CN1CCOc2c1ccc(C#Cc1ccccc1)n2,YAJOQWSFSHQIJQ,YAJOQWSFSHQIJQ-UHFFFAOYSA-N,"InChI=1S/C16H14N2O/c1-18-11-12-19-16-15(18)10-9-14(17-16)8-7-13-5-3-2-4-6-13/h2-6,9-10H,11-12H2,1H3","""AuxInfo=1/0/N:1,16,15,17,14,18,12,11,9,8,3,4,13,10,7,6,19,2,5/E:(3,4)(5,6)/rA:19CNCCOCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2d6;s7;d8;s9;s10;t11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;CHEMBL1685174;PubChemAID:579858,PMID:21295468,2011.0,PMID:21295468;PMID:21295468;PubChemAID:579858,2011,0,1;1;0,0,0,0;0;1,,=,  7.250;  7.250;  7.250,7.25,0.0,0.0,3.0,7.25,0.0
-YAKXWMXLLHEKNW_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3910947,O=C(Nc1ncc(SCc2ccc(Cl)cc2Cl)s1)c1ccccn1,YAKXWMXLLHEKNW,YAKXWMXLLHEKNW-UHFFFAOYSA-N,"InChI=1S/C16H11Cl2N3OS2/c17-11-5-4-10(12(18)7-11)9-23-14-8-20-16(24-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)","""AuxInfo=1/1/N:21,22,20,11,12,23,15,6,9,10,13,16,19,7,2,4,14,17,24,5,3,1,8,18/rA:24OCNCNCCSCCCCCClCCClSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s4s7;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-YANZZUJLDNPDPI_on_P14867_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034;CHEMBL677037,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  6.570;  6.570,6.57,0.0,0.0,2.0,6.57,0.0
-YANZZUJLDNPDPI_on_P18507_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677037;CHEMBL682082;CHEMBL682712;CHEMBL682709;CHEMBL677034;CHEMBL680669;CHEMBL680432;CHEMBL680435,PMID:15214791,2004.0,PMID:15084116;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  6.570;  8.430;  6.960;  6.960;  6.570;  8.430;  7.320;  7.320,7.32,0.6940000000000001,0.262,8.0,7.14,0.375
-YANZZUJLDNPDPI_on_P28472_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682082;CHEMBL680432;CHEMBL677034;CHEMBL682709;CHEMBL680669;CHEMBL677037;CHEMBL682712;CHEMBL680435,PMID:15214791,2004.0,PMID:15084116;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15084116,2004,0,0,0,1,0,,=,  8.430;  7.320;  6.570;  6.960;  8.430;  6.570;  6.960;  7.320,7.32,0.6940000000000001,0.262,8.0,7.14,0.375
-YANZZUJLDNPDPI_on_P31644_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669;CHEMBL682082,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  8.430;  8.430,8.43,0.0,0.0,2.0,8.43,0.0
-YANZZUJLDNPDPI_on_P34903_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL680435,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  7.320;  7.320,7.32,0.0,0.0,2.0,7.32,0.0
-YANZZUJLDNPDPI_on_P47869_WT,Low,ChEMBL30,CHEMBL307230,Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1,YANZZUJLDNPDPI,YANZZUJLDNPDPI-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,4,3,5,25,27,24,28,17,16,7,14,2,26,23,13,6,21,22,12,20,9,29,18,19,10,11,8,15/E:(5,6)(7,8)/rA:29CCCCCCCOCNNCCCSCCNNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s13d16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709;CHEMBL682712,PMID:15084116,2004.0,PMID:15214791;PMID:15084116,2004,0,0,0,1,0,,=,  6.960;  6.960,6.96,0.0,0.0,2.0,6.96,0.0
-YAOMEMJAWYJKIY_on_Q14833_WT,High,ChEMBL30,CHEMBL4249099,Cn1nc(OCC2CCCCO2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,YAOMEMJAWYJKIY,YAOMEMJAWYJKIY-UHFFFAOYSA-N,"InChI=1S/C20H22N6O2/c1-26-17-11-13(22-19-18-16(23-24-19)6-4-9-21-18)7-8-15(17)20(25-26)28-12-14-5-2-3-10-27-14/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H2,22,23,24)","""AuxInfo=1/1/N:1,9,10,22,8,23,27,28,21,11,15,6,16,7,13,24,14,19,18,4,20,17,25,26,3,2,12,5/rA:28CNNCOCCCCCCOCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s7s11;s4;s2d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s19s23;d24;s18s25;s16;s13d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-YAOOWQWIHCHMIS_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3122226;76332629,Cn1nc(C(=O)N2CCOCC2)c2c1nc(OCc1ccccn1)cc2,YAOOWQWIHCHMIS,YAOOWQWIHCHMIS-UHFFFAOYSA-N,"InChI=1S/C18H19N5O3/c1-22-17-14(16(21-22)18(24)23-8-10-25-11-9-23)5-6-15(20-17)26-12-13-4-2-3-7-19-13/h2-7H,8-12H2,1H3","""AuxInfo=1/0/N:1,21,22,20,26,25,23,8,12,9,11,18,19,13,16,4,14,5,24,15,3,2,7,6,10,17/E:(8,9)(10,11)/rA:26CNNCCONCCOCCCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s7s11;s4;s2d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717;PubChemAID:1071426,PMID:24392688,2014.0,PMID:24392688;PubChemAID:1071426,2014,0,0,0,1;0,0;1,,=,  6.940;  6.943,6.941,0.001,0.001,2.0,6.941,0.001
-YAOOWQWIHCHMIS_on_Q13255_WT,Low,ChEMBL30,CHEMBL3122226,Cn1nc(C(=O)N2CCOCC2)c2c1nc(OCc1ccccn1)cc2,YAOOWQWIHCHMIS,YAOOWQWIHCHMIS-UHFFFAOYSA-N,"InChI=1S/C18H19N5O3/c1-22-17-14(16(21-22)18(24)23-8-10-25-11-9-23)5-6-15(20-17)26-12-13-4-2-3-7-19-13/h2-7H,8-12H2,1H3","""AuxInfo=1/0/N:1,21,22,20,26,25,23,8,12,9,11,18,19,13,16,4,14,5,24,15,3,2,7,6,10,17/E:(8,9)(10,11)/rA:26CNNCCONCCOCCCCNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s5;s7;s8;s9;s10;s7s11;s4;s2d13;s14;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3124715,PMID:24392688,2014.0,PMID:24392688,2014,1,0,0,0,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-YAQDVJZBEQGRHR_on_P41594_WT,Medium,ChEMBL30,CHEMBL3925938,CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC12CC2,YAQDVJZBEQGRHR,YAQDVJZBEQGRHR-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O/c1-22-18(24)23(13-19(22)9-10-19)17-8-7-15(12-21-17)6-5-14-3-2-4-16(20)11-14/h2-4,7-8,11-12H,9-10,13H2,1H3","""AuxInfo=1/0/N:1,14,13,15,11,10,8,7,23,24,18,19,21,12,9,16,6,3,22,17,20,2,5,4/E:(9,10)/rA:24CNCONCCCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.290,7.29,0.0,0.0,1.0,7.29,0.0
-YAQPKTZEOMLDRJ_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1209519;49862526,Nc1nc(C(F)(F)F)cc(C=Cc2ccccc2)n1,YAQPKTZEOMLDRJ,YAQPKTZEOMLDRJ-UHFFFAOYSA-N,"InChI=1S/C13H10F3N3/c14-13(15,16)11-8-10(18-12(17)19-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)","""AuxInfo=1/1/N:16,15,17,14,18,12,11,9,13,10,4,2,5,6,7,8,1,19,3/E:(2,3)(4,5)(14,15,16)/rA:19NCNCCFFFCCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s5;s5;d4;s9;s10;w?11;s12;d13;s14;d15;s16;s13d17;s2d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365;PubChemAID:494939,PMID:20638279,2010.0,PMID:20638279;PubChemAID:494939,2010;2011,0,1;0,0,0,0;1,,=,  6.220;  6.222,6.221,0.001,0.001,2.0,6.221,0.001
-YASVRZWVUGJELU_on_O00222_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL275079;10197984,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL912291;PubChemAID:275491,PMID:10090786,1999.0,PMID:17228865;PubChemAID:275491,2007;2010,0,1;0,0,0,0;1,,=,  5.770;  5.772,5.771,0.001,0.001,2.0,5.771,0.001
-YASVRZWVUGJELU_on_O15303_WT,Medium,ChEMBL30,CHEMBL275079,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL819438;CHEMBL718130,PMID:10090786,1999.0,PMID:10090786;PMID:10893301,1999;2000,0,1;0,0,0;1,0,,=,  6.400;  6.400,6.4,0.0,0.0,2.0,6.4,0.0
-YASVRZWVUGJELU_on_P41594_WT,Low,ChEMBL30,CHEMBL275079,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL711712,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YASVRZWVUGJELU_on_Q14416_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL275079;CHEMBL275079;10197984,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL910519;CHEMBL2182985;PubChemAID:705393,PMID:10090786,1999.0,PMID:17228865;PMID:22318160;PubChemAID:705393,2007;2012;2013,0,0;1;0,0,1;0;0,0;0;1,,=,  7.850;  8.570;  8.570,8.33,0.33899999999999997,0.24,3.0,8.57,0.0
-YASVRZWVUGJELU_on_Q14832_WT,High,ChEMBL30,CHEMBL275079,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL2182984;CHEMBL910532,PMID:10090786,1999.0,PMID:22318160;PMID:17228865,2012;2007,0,1;0,0,0;1,0,,=,  8.340;  8.240,8.29,0.05,0.05,2.0,8.29,0.05
-YASVRZWVUGJELU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL275079,NC1(C(=O)O)COC2C(C(=O)O)C21,YASVRZWVUGJELU,YASVRZWVUGJELU-UHFFFAOYSA-N,"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:6,9,13,8,10,3,2,1,11,12,4,5,7/E:(9,10)(11,12)/rA:13NCCOOCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s10;s2s8s9;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL818787;CHEMBL716502,PMID:10090786,1999.0,PMID:10090786;PMID:10893301,1999;2000,0,1;0,0,0;1,0,,=,  4.680;  4.680,4.68,0.0,0.0,2.0,4.68,0.0
-YATZGLPZEVHKJR_on_P41594_WT,High,ChEMBL30,CHEMBL3597592,O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccc2)CC1,YATZGLPZEVHKJR,YATZGLPZEVHKJR-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2/c23-22(24)18-10-5-13-20-19(18)21-14-11-17(12-15-21)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-10,13H,11-12,14-15H2","""AuxInfo=1/0/N:20,19,21,15,6,18,22,16,14,5,12,23,7,11,24,17,13,4,9,8,10,2,1,3/E:(2,3)(6,7)(11,12)(14,15)(23,24)/CRV:22.5/rA:24ON+O-CCCCNCNCCCCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s13;s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  9.400;  8.550,8.975,0.425,0.425,2.0,8.975,0.425
-YAVRAYWOWWNCNR_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3947898,CC1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C,YAVRAYWOWWNCNR,YAVRAYWOWWNCNR-UHFFFAOYSA-N,"InChI=1S/C24H22FN3O3/c1-13-22(30)28(23(31)24(13,2)3)12-14-4-9-17-18(15-5-7-16(25)8-6-15)11-20(21(26)29)27-19(17)10-14/h4-11,13H,12H2,1-3H3,(H2,26,29)","""AuxInfo=1/1/N:1,30,31,8,13,18,14,17,9,26,19,6,2,7,12,15,10,11,25,20,21,3,27,29,16,22,24,5,23,4,28/E:(2,3)(5,6)(7,8)/rA:31CCCONCCCCCCCCCCFCCCCCNONCCCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s20;s21;d21;d20;s10s24;s7d25;s5;d27;s2s27;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YAXTZZABGYDKTP_on_P18507_WT,Low,ChEMBL30,CHEMBL236671,CCCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,YAXTZZABGYDKTP,YAXTZZABGYDKTP-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,12,18,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YAXTZZABGYDKTP_on_P28472_WT,High,ChEMBL30,CHEMBL236671,CCCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,YAXTZZABGYDKTP,YAXTZZABGYDKTP-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,12,18,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL898326,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-YAXTZZABGYDKTP_on_P47869_WT,Low,ChEMBL30,CHEMBL236671,CCCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,YAXTZZABGYDKTP,YAXTZZABGYDKTP-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,12,18,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YAXTZZABGYDKTP_on_P47870_WT,Low,ChEMBL30,CHEMBL236671,CCCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,YAXTZZABGYDKTP,YAXTZZABGYDKTP-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3","""AuxInfo=1/0/N:1,7,2,6,3,12,18,13,10,19,4,5,9,14,11,20,15,16,17,22,21,8/E:(6,7)(9,10)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;d4;s5;s6;s5;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s4d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YBAXKRDKUFOWOO_on_P14867_WT,Low,ChEMBL30,CHEMBL3138017,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5c(O)cccc5)CCC4(C)C3CCC12C,YBAXKRDKUFOWOO,YBAXKRDKUFOWOO-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,22,21,23,20,10,9,5,6,16,29,30,15,25,24,12,2,17,11,8,4,7,28,18,26,31,13,3,19,14/rA:32CCOCCCCCCCCCCOCCCCOCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;s18;d20;s21;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-YBAXKRDKUFOWOO_on_P18507_WT,Low,ChEMBL30,CHEMBL3138017,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5c(O)cccc5)CCC4(C)C3CCC12C,YBAXKRDKUFOWOO,YBAXKRDKUFOWOO-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,22,21,23,20,10,9,5,6,16,29,30,15,25,24,12,2,17,11,8,4,7,28,18,26,31,13,3,19,14/rA:32CCOCCCCCCCCCCOCCCCOCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;s18;d20;s21;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-YBAXKRDKUFOWOO_on_P47870_WT,Low,ChEMBL30,CHEMBL3138017,CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5c(O)cccc5)CCC4(C)C3CCC12C,YBAXKRDKUFOWOO,YBAXKRDKUFOWOO-UHFFFAOYSA-N,"InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3","""AuxInfo=1/0/N:1,27,32,22,21,23,20,10,9,5,6,16,29,30,15,25,24,12,2,17,11,8,4,7,28,18,26,31,13,3,19,14/rA:32CCOCCCCCCCCCCOCCCCOCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;t15;s16;d17;s18;s18;d20;s21;s17d22;s13;s24;s11s25;s26;s8s26;s28;s29;s4s7s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  6.470,6.47,0.0,0.0,1.0,6.47,0.0
-YBDWNOIXXLVZJU_on_P14867_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YBDWNOIXXLVZJU_on_P18507_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678741;CHEMBL678745;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.460;  7.700;  7.250;  7.360,7.442,0.166,0.096,4.0,7.41,0.105
-YBDWNOIXXLVZJU_on_P28472_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681841;CHEMBL678741;CHEMBL676826;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.360;  7.460;  7.250;  7.700,7.442,0.166,0.096,4.0,7.41,0.105
-YBDWNOIXXLVZJU_on_P31644_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-YBDWNOIXXLVZJU_on_P34903_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-YBDWNOIXXLVZJU_on_P47869_WT,Low,ChEMBL30,CHEMBL299642,Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1,YBDWNOIXXLVZJU,YBDWNOIXXLVZJU-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)22(28-14-17-11-5-6-13-23-17)26-27-20(24-25-21(18)27)16-9-3-2-4-10-16/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,19,18,20,11,10,27,28,17,21,12,26,9,6,2,16,7,25,3,15,24,4,8,22,23,13,14,5/E:(3,4)(9,10)/rA:28CCCCOCCNCCCCNNCCCCCCCNNCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s15;d16;s17;d18;s19;s16d20;d15;s22;s14d23;s3s24;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-YBEWYHYVINQVQI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912982,Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1csnn1)cc2,YBEWYHYVINQVQI,YBEWYHYVINQVQI-UHFFFAOYSA-N,"InChI=1S/C22H26N6O2S/c1-22(2,3)12-28-18-8-7-16(23-19(18)26(4)21(28)30)15-9-14-6-5-13(15)10-27(14)20(29)17-11-31-25-24-17/h7-9,11,13-14H,5-6,10,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,19,18,30,31,16,21,26,6,20,17,15,14,25,11,12,23,3,7,13,29,28,2,22,5,24,4,27/E:(1,2,3)/rA:31CNCONCCCCCCCNCCCCCCCCNCOCCSNNCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;w?15;s16;s17;s18;s15s19;s20;s17s21;s22;d23;s23;d25;s26;s27;s25d28;s14;s11d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.550;  7.160,7.355,0.195,0.195,2.0,7.355,0.195
-YBGJGTRWDKTGRJ_on_Q14833_WT,High,ChEMBL30,CHEMBL2023455,FC(F)(F)c1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,YBGJGTRWDKTGRJ,YBGJGTRWDKTGRJ-UHFFFAOYSA-N,"InChI=1S/C19H12F3N3/c20-19(21,22)14-6-7-17-16(8-9-23-18(17)10-14)13-11-24-25(12-13)15-4-2-1-3-5-15/h1-12H","""AuxInfo=1/0/N:16,15,17,14,18,6,7,21,22,25,20,11,10,5,13,9,8,24,2,1,3,4,23,19,12/E:(2,3)(4,5)(20,21,22)/rA:25FCFFCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s12;s10d19;d9;s21;d22;s8s23;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.260,6.26,0.0,0.0,1.0,6.26,0.0
-YBHLQPIYKPUFSS_on_P14867_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-YBHLQPIYKPUFSS_on_P18507_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681841;CHEMBL676826;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.420;  7.580;  7.680;  7.890,7.643,0.17,0.098,4.0,7.63,0.13
-YBHLQPIYKPUFSS_on_P28472_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL681841;CHEMBL678741;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.890;  7.420;  7.680;  7.580,7.643,0.17,0.098,4.0,7.63,0.13
-YBHLQPIYKPUFSS_on_P31644_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-YBHLQPIYKPUFSS_on_P34903_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-YBHLQPIYKPUFSS_on_P47869_WT,Low,ChEMBL30,CHEMBL52310,c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1,YBHLQPIYKPUFSS,YBHLQPIYKPUFSS-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-6-15(7-3-1)18-21-22-19-16-8-4-5-9-17(16)20(23-24(18)19)26-13-14-10-11-25-12-14/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,3,25,14,11,22,21,19,17,18,4,9,10,5,8,15,6,7,23,24,20,16/E:(2,3)(6,7)/rA:26CCCCCNNCCCCCCCCOCCCOCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;s20;s18d21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-YBHYYGMWUGITQS_on_P14867_WT,Low,ChEMBL30,CHEMBL299882,Cc1ccc2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2c1,YBHYYGMWUGITQS,YBHYYGMWUGITQS-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)21-25-24-20(16-7-3-2-4-8-16)27(21)26-22(18)28-14-17-9-5-6-12-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,13,12,19,23,14,3,4,11,28,8,2,18,9,5,27,17,26,6,10,24,25,15,16,7/E:(3,4)(7,8)/rA:28CCCCCCOCCNCCCCNNCCCCCCCNNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d6;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s5s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YBHYYGMWUGITQS_on_P31644_WT,Low,ChEMBL30,CHEMBL299882,Cc1ccc2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2c1,YBHYYGMWUGITQS,YBHYYGMWUGITQS-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)21-25-24-20(16-7-3-2-4-8-16)27(21)26-22(18)28-14-17-9-5-6-12-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,13,12,19,23,14,3,4,11,28,8,2,18,9,5,27,17,26,6,10,24,25,15,16,7/E:(3,4)(7,8)/rA:28CCCCCCOCCNCCCCNNCCCCCCCNNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d6;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s5s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YBHYYGMWUGITQS_on_P34903_WT,Low,ChEMBL30,CHEMBL299882,Cc1ccc2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2c1,YBHYYGMWUGITQS,YBHYYGMWUGITQS-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)21-25-24-20(16-7-3-2-4-8-16)27(21)26-22(18)28-14-17-9-5-6-12-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,13,12,19,23,14,3,4,11,28,8,2,18,9,5,27,17,26,6,10,24,25,15,16,7/E:(3,4)(7,8)/rA:28CCCCCCOCCNCCCCNNCCCCCCCNNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d6;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s5s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YBHYYGMWUGITQS_on_P47869_WT,Low,ChEMBL30,CHEMBL299882,Cc1ccc2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2c1,YBHYYGMWUGITQS,YBHYYGMWUGITQS-UHFFFAOYSA-N,"InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)21-25-24-20(16-7-3-2-4-8-16)27(21)26-22(18)28-14-17-9-5-6-12-23-17/h2-13H,14H2,1H3","""AuxInfo=1/0/N:1,21,20,22,13,12,19,23,14,3,4,11,28,8,2,18,9,5,27,17,26,6,10,24,25,15,16,7/E:(3,4)(7,8)/rA:28CCCCCCOCCNCCCCNNCCCCCCCNNCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;d6;s15;s16;s17;d18;s19;d20;s21;s18d22;d17;s24;s16d25;s5s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YBIAJANCYGYOLK_on_Q13224_WT,High,ChEMBL30,CHEMBL4287755,OCc1ccc2CCC(NCCCCc3ccccc3)CCc2c1,YBIAJANCYGYOLK,YBIAJANCYGYOLK-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c24-17-19-9-10-20-11-13-22(14-12-21(20)16-19)23-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-24H,4-5,8,11-15,17H2","""AuxInfo=1/0/N:18,17,19,13,12,16,20,14,4,5,7,22,8,21,11,24,2,15,3,6,23,9,10,1/E:(2,3)(6,7)/rA:24OCCCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s9;s21;s6s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4254519,PMID:29289890,2018.0,PMID:29289890,2018,0,0,0,1,0,,=,  6.730,6.73,0.0,0.0,1.0,6.73,0.0
-YBPFLVXUQIMFOD_on_P41594_WT,High,ChEMBL30,CHEMBL3702418,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(N1CCOCC1)ccc3,YBPFLVXUQIMFOD,YBPFLVXUQIMFOD-UHFFFAOYSA-N,"InChI=1S/C24H27N5O2/c30-24-14-25-23(28-15-20(26-16-28)17-3-1-4-17)13-22-18-5-2-6-21(19(18)7-8-29(22)24)27-9-11-31-12-10-27/h2,5-6,13,15-17H,1,3-4,7-12,14H2","""AuxInfo=1/0/N:12,30,11,13,31,29,19,20,24,28,25,27,15,3,14,7,10,17,18,9,22,16,5,2,4,8,23,6,21,1,26/E:(3,4)(9,10)(11,12)/rA:31OCCNCNCNCCCCCCCCCCCCNCNCCOCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s24;s25;s26;s23s27;d22;s29;s17d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-YBPFLVXUQIMFOD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702418,O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(N1CCOCC1)ccc3,YBPFLVXUQIMFOD,YBPFLVXUQIMFOD-UHFFFAOYSA-N,"InChI=1S/C24H27N5O2/c30-24-14-25-23(28-15-20(26-16-28)17-3-1-4-17)13-22-18-5-2-6-21(19(18)7-8-29(22)24)27-9-11-31-12-10-27/h2,5-6,13,15-17H,1,3-4,7-12,14H2","""AuxInfo=1/0/N:12,30,11,13,31,29,19,20,24,28,25,27,15,3,14,7,10,17,18,9,22,16,5,2,4,8,23,6,21,1,26/E:(3,4)(9,10)(11,12)/rA:31OCCNCNCNCCCCCCCCCCCCNCNCCOCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s10s12;s6d9;s5;w?15;s16;d17;s18;s19;s2s16s20;s18;s22;s23;s24;s25;s26;s23s27;d22;s29;s17d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YBRXFNLNMSTVNQ_on_O00591_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_O14764_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P14867_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P18505_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P28472_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P31644_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P34903_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P47869_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P47870_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P48169_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_P78334_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBRXFNLNMSTVNQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL313887,CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1,YBRXFNLNMSTVNQ,YBRXFNLNMSTVNQ-UHFFFAOYSA-N,"InChI=1S/C17H22OS2/c1-17(2,3)15-11-19-16(20-12-15)14-8-6-13(7-9-14)5-4-10-18/h6-9,15-16,18H,10-12H2,1-3H3","""AuxInfo=1/0/N:1,3,4,14,13,11,17,10,18,15,6,20,12,9,5,8,2,16,7,19/E:(1,2,3)(6,7)(8,9)(11,12)(19,20)/rA:20CCCCCCSCCCCCCCCOCCSC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;s12;t13;s14;s15;s12;s9d17;s8;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678039,DOI:10.1016/S0960-894X(01)80739-3,1993.0,DOI:10.1016/S0960-894X(01)80739-3,1993,1,0,0,0,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YBZAHQMKDFUBLV_on_P41594_WT,Medium,ChEMBL30,CHEMBL187746,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccncc2)c1,YBZAHQMKDFUBLV,YBZAHQMKDFUBLV-UHFFFAOYSA-N,InChI=1S/C17H11FN6/c18-14-9-13(12-4-7-19-8-5-12)10-15(11-14)24-22-17(21-23-24)16-3-1-2-6-20-16/h1-11H,"""AuxInfo=1/0/N:13,12,14,19,23,11,20,22,24,16,3,18,17,2,4,9,8,1,21,10,7,15,6,5/E:(4,5)(7,8)/rA:24FCCCNNNCCNCCCCNCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-YCFZLPWPLRAMMG_on_Q13255_WT,High,ChEMBL30,CHEMBL367227,CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1NCCOC,YCFZLPWPLRAMMG,YCFZLPWPLRAMMG-UHFFFAOYSA-N,"InChI=1S/C22H30N2O3/c1-4-15-13-18-14-17(21(25)16-5-8-19(27-3)9-6-16)7-10-20(18)24-22(15)23-11-12-26-2/h7,10,13-14,16,19H,4-6,8-9,11-12H2,1-3H3,(H,23,24)","""AuxInfo=1/1/N:1,27,17,2,13,19,8,14,18,7,24,25,4,20,3,12,9,5,15,6,10,22,23,21,11,26,16/E:(5,6)(8,9)/rA:27CCCCCCCCCCOCCCCOCCCCNCNCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s15;s12s18;s5d9;s6;s3d21;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546,PMID:15771457,2005.0,PMID:15771457,2005,1,0,0,0,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-YCGRBKCHMIYSHF_on_O00591_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_O14764_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P14867_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P18505_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P18507_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P28472_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P31644_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P34903_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P47869_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P47870_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P48169_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_P78334_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_Q16445_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCGRBKCHMIYSHF_on_Q99928_WT,Low,ChEMBL30,CHEMBL66274,Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2,YCGRBKCHMIYSHF,YCGRBKCHMIYSHF-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-10-5-4-7-12-16(10)21-18-15-11-6-2-3-8-13(11)20-14(15)9-19-17(12)18/h2-9,20-21H,1H3","""AuxInfo=1/0/N:1,19,18,4,3,20,5,17,12,2,15,6,16,13,14,7,10,9,11,21,8/rA:21CCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s6d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YCKNLLPKOYSTDK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1760309,O=C1NCCCC1(c1ccccc1)N1CCCCC1,YCKNLLPKOYSTDK,YCKNLLPKOYSTDK-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c19-15-16(10-7-11-17-15,14-8-3-1-4-9-14)18-12-5-2-6-13-18/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19)","""AuxInfo=1/1/N:11,17,10,12,16,18,5,9,13,6,4,15,19,8,2,7,3,14,1/E:(3,4)(5,6)(8,9)(12,13)/rA:19OCNCCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s7;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764159;CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  3.800;  4.600,4.2,0.4,0.4,2.0,4.2,0.4
-YCKNLLPKOYSTDK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760309,O=C1NCCCC1(c1ccccc1)N1CCCCC1,YCKNLLPKOYSTDK,YCKNLLPKOYSTDK-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c19-15-16(10-7-11-17-15,14-8-3-1-4-9-14)18-12-5-2-6-13-18/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19)","""AuxInfo=1/1/N:11,17,10,12,16,18,5,9,13,6,4,15,19,8,2,7,3,14,1/E:(3,4)(5,6)(8,9)(12,13)/rA:19OCNCCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s7;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-YCKNLLPKOYSTDK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760309,O=C1NCCCC1(c1ccccc1)N1CCCCC1,YCKNLLPKOYSTDK,YCKNLLPKOYSTDK-UHFFFAOYSA-N,"InChI=1S/C16H22N2O/c19-15-16(10-7-11-17-15,14-8-3-1-4-9-14)18-12-5-2-6-13-18/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19)","""AuxInfo=1/1/N:11,17,10,12,16,18,5,9,13,6,4,15,19,8,2,7,3,14,1/E:(3,4)(5,6)(8,9)(12,13)/rA:19OCNCCCCCCCCCCNCCCCC/rB:d1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;s11;s8d12;s7;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,=,  3.800,3.8,0.0,0.0,1.0,3.8,0.0
-YCKWYXZBMJSNNJ_on_O15399_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.430;  6.680,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_O60391_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.430;  6.680,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.680;  6.430,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.680;  6.430,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.430;  6.680,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.430;  6.680,6.555,0.125,0.125,2.0,6.555,0.125
-YCKWYXZBMJSNNJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL336430,CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1,YCKWYXZBMJSNNJ,YCKWYXZBMJSNNJ-UHFFFAOYSA-N,"InChI=1S/C17H22ClN/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10H2,1H3","""AuxInfo=1/0/N:1,8,7,9,19,18,6,4,3,12,15,13,16,10,14,11,5,17,2/rA:19CNCCCCCCCCCCCCCCClCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s5d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.680;  6.430,6.555,0.125,0.125,2.0,6.555,0.125
-YCMQHZLCRNKFNN_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,10268255;CHEMBL218068,O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1,YCMQHZLCRNKFNN,YCMQHZLCRNKFNN-UHFFFAOYSA-N,"InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)","""AuxInfo=1/1/N:8,7,9,6,10,18,13,23,19,12,24,15,4,21,14,5,17,2,20,16,22,11,1,3/E:(2,3)(4,5)(7,8)(10,11)/rA:24OCOCCCCCCCNCCCCNCCCNCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  7.125;  7.120,7.122999999999999,0.003,0.003,2.0,7.122999999999999,0.002
-YCNAZWWKISZLST_on_Q14416_WT,High,ChEMBL30,CHEMBL4093657,COc1ncc(CNc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1,YCNAZWWKISZLST,YCNAZWWKISZLST-UHFFFAOYSA-N,"InChI=1S/C24H22F3N5O/c1-33-21-9-4-16(14-29-21)13-28-18-7-5-17(6-8-18)19-10-11-32-20(12-15-2-3-15)30-31-23(32)22(19)24(25,26)27/h4-11,14-15,28H,2-3,12-13H2,1H3","""AuxInfo=1/0/N:1,25,26,32,11,30,10,31,33,29,28,23,7,5,24,6,12,9,13,22,3,14,19,15,16,17,18,8,4,21,20,27,2/E:(2,3)(5,6)(7,8)(25,26,27)/rA:33COCNCCCNCCCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s9d30;s6;s3d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040508;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,1;0;0,0;0;1,0,,=,  8.700;  7.820;  8.500,8.34,0.377,0.266,3.0,8.5,0.2
-YCQASTCWGZVWEC_on_O15399_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_O60391_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_Q05586_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_Q12879_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_Q13224_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQASTCWGZVWEC_on_Q14957_WT,Low,ChEMBL30,CHEMBL82144,N=C1N(c2ccccc2)CCN1c1ccccc1,YCQASTCWGZVWEC,YCQASTCWGZVWEC-UHFFFAOYSA-N,"InChI=1S/C15H15N3/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2","""AuxInfo=1/0/N:7,16,6,8,15,17,5,9,14,18,10,11,4,13,2,1,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18NCNCCCCCCCCNCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s3;s10;s2s11;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YCQFFXDKKZNVEE_on_P14867_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-YCQFFXDKKZNVEE_on_P18507_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770;  6.600;  6.320;  6.420,6.527,0.172,0.099,4.0,6.51,0.14
-YCQFFXDKKZNVEE_on_P28472_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL678745;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.320;  6.770;  6.420;  6.600,6.527,0.172,0.099,4.0,6.51,0.14
-YCQFFXDKKZNVEE_on_P31644_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YCQFFXDKKZNVEE_on_P34903_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-YCQFFXDKKZNVEE_on_P47869_WT,Low,ChEMBL30,CHEMBL52696,Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1,YCQFFXDKKZNVEE,YCQFFXDKKZNVEE-UHFFFAOYSA-N,"InChI=1S/C22H15ClN4O/c23-17-12-10-15(11-13-17)14-28-22-19-9-5-4-8-18(19)21-25-24-20(27(21)26-22)16-6-2-1-3-7-16/h1-13H,14H2","""AuxInfo=1/0/N:15,14,16,25,24,13,17,26,23,4,27,3,28,6,5,12,2,21,22,11,20,8,1,18,19,9,10,7/E:(2,3)(6,7)(10,11)(12,13)/rA:28ClCCCCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;d23;s24;s21d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YCTZWWGYTRDQQM_on_P18507_WT,Low,ChEMBL30,CHEMBL212637,Cn1ncnc1COc1nn2c(-[n+]3ccncc3)nncc2c1-c1ccccc1F,YCTZWWGYTRDQQM,YCTZWWGYTRDQQM-UHFFFAOYSA-N,"InChI=1S/C19H15FN9O/c1-27-16(22-12-24-27)11-30-18-17(13-4-2-3-5-14(13)20)15-10-23-25-19(29(15)26-18)28-8-6-21-7-9-28/h2-10,12H,11H2,1H3/q+1","""AuxInfo=1/0/N:1,26,27,25,28,15,17,14,18,21,7,4,24,29,22,6,23,9,12,30,16,5,20,3,19,10,2,13,11,8/E:(6,7)(8,9)/CRV:28+1/rA:30CNNCNCCOCNNCN+CCNCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-YCTZWWGYTRDQQM_on_P28472_WT,Low,ChEMBL30,CHEMBL212637,Cn1ncnc1COc1nn2c(-[n+]3ccncc3)nncc2c1-c1ccccc1F,YCTZWWGYTRDQQM,YCTZWWGYTRDQQM-UHFFFAOYSA-N,"InChI=1S/C19H15FN9O/c1-27-16(22-12-24-27)11-30-18-17(13-4-2-3-5-14(13)20)15-10-23-25-19(29(15)26-18)28-8-6-21-7-9-28/h2-10,12H,11H2,1H3/q+1","""AuxInfo=1/0/N:1,26,27,25,28,15,17,14,18,21,7,4,24,29,22,6,23,9,12,30,16,5,20,3,19,10,2,13,11,8/E:(6,7)(8,9)/CRV:28+1/rA:30CNNCNCCOCNNCN+CCNCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-YCTZWWGYTRDQQM_on_P34903_WT,Low,ChEMBL30,CHEMBL212637,Cn1ncnc1COc1nn2c(-[n+]3ccncc3)nncc2c1-c1ccccc1F,YCTZWWGYTRDQQM,YCTZWWGYTRDQQM-UHFFFAOYSA-N,"InChI=1S/C19H15FN9O/c1-27-16(22-12-24-27)11-30-18-17(13-4-2-3-5-14(13)20)15-10-23-25-19(29(15)26-18)28-8-6-21-7-9-28/h2-10,12H,11H2,1H3/q+1","""AuxInfo=1/0/N:1,26,27,25,28,15,17,14,18,21,7,4,24,29,22,6,23,9,12,30,16,5,20,3,19,10,2,13,11,8/E:(6,7)(8,9)/CRV:28+1/rA:30CNNCNCCOCNNCN+CCNCCNNCCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;d20;s11s21;s9d22;s23;d24;s25;d26;s27;s24d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-YCXGNFWBZVQTST_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3961434,O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1,YCXGNFWBZVQTST,YCXGNFWBZVQTST-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N3O3S2/c18-10-5-4-9(11(19)7-10)8-30(27,28)15-13(17(20,21)22)24-16(29-15)25-14(26)12-3-1-2-6-23-12/h1-7H,8H2,(H,24,25,26)","""AuxInfo=1/1/N:27,28,26,17,18,29,21,15,16,19,22,25,6,2,11,4,7,20,23,8,9,10,30,5,3,1,13,14,24,12/E:(20,21,22)(27,28)/CRV:30.6/rA:30OCNCNCCFFFCSOOCCCCCClCCClSCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;d12;d12;s12;s15;d16;s17;d18;s19;s19;s16d21;s22;s4s11;s2;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-YDAJOWKRYMPVKQ_on_P18507_WT,Low,ChEMBL30,CHEMBL566156,Cc1ncc2Cc3c(Cl)ncn3-c3c(cc(Br)cc3)-c2n1,YDAJOWKRYMPVKQ,YDAJOWKRYMPVKQ-UHFFFAOYSA-N,"InChI=1S/C15H10BrClN4/c1-8-18-6-9-4-13-15(17)19-7-21(13)12-3-2-10(16)5-11(12)14(9)20-8/h2-3,5-7H,4H2,1H3","""AuxInfo=1/0/N:1,18,19,6,15,4,11,2,5,16,14,13,7,20,8,17,9,3,10,21,12/rA:21CCNCCCCCClNCNCCCCBrCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s16;s13d18;s5s14;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-YDAJOWKRYMPVKQ_on_P28472_WT,Low,ChEMBL30,CHEMBL566156,Cc1ncc2Cc3c(Cl)ncn3-c3c(cc(Br)cc3)-c2n1,YDAJOWKRYMPVKQ,YDAJOWKRYMPVKQ-UHFFFAOYSA-N,"InChI=1S/C15H10BrClN4/c1-8-18-6-9-4-13-15(17)19-7-21(13)12-3-2-10(16)5-11(12)14(9)20-8/h2-3,5-7H,4H2,1H3","""AuxInfo=1/0/N:1,18,19,6,15,4,11,2,5,16,14,13,7,20,8,17,9,3,10,21,12/rA:21CCNCCCCCClNCNCCCCBrCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s16;s13d18;s5s14;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-YDAJOWKRYMPVKQ_on_P31644_WT,Low,ChEMBL30,CHEMBL566156,Cc1ncc2Cc3c(Cl)ncn3-c3c(cc(Br)cc3)-c2n1,YDAJOWKRYMPVKQ,YDAJOWKRYMPVKQ-UHFFFAOYSA-N,"InChI=1S/C15H10BrClN4/c1-8-18-6-9-4-13-15(17)19-7-21(13)12-3-2-10(16)5-11(12)14(9)20-8/h2-3,5-7H,4H2,1H3","""AuxInfo=1/0/N:1,18,19,6,15,4,11,2,5,16,14,13,7,20,8,17,9,3,10,21,12/rA:21CCNCCCCCClNCNCCCCBrCCCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s7s11;s12;d13;s14;d15;s16;s16;s13d18;s5s14;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-YDEIVWYETHMCHS_on_P14867_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-YDEIVWYETHMCHS_on_P18507_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810;  6.930;  7.550;  6.000,6.822,0.552,0.319,4.0,6.87,0.37
-YDEIVWYETHMCHS_on_P28472_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL681480;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810;  6.930;  6.000;  7.550,6.822,0.552,0.319,4.0,6.87,0.37
-YDEIVWYETHMCHS_on_P31644_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YDEIVWYETHMCHS_on_P34903_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.810,6.81,0.0,0.0,1.0,6.81,0.0
-YDEIVWYETHMCHS_on_P47869_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-YDEIVWYETHMCHS_on_Q16445_WT,Low,ChEMBL30,CHEMBL172866,c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2,YDEIVWYETHMCHS,YDEIVWYETHMCHS-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-5-10-9(4-1)13-12(19-10)8-18-16-14-11(20-15(13)16)6-3-7-17-14/h1-8,19-20H","""AuxInfo=1/0/N:6,1,16,5,2,15,17,9,4,3,14,8,7,19,12,11,18,10,20,13/rA:20CCCCCCCCCNCCNCCCCNCN/rB:d1;s2;d3;s4;s1d5;s4;d7;s8;d9;s10;s7d11;s12;s13;d14;s15;d16;s17;s11s14d18;s3s8;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YDFQRORJGILBAY_on_P18507_WT,Low,ChEMBL30,CHEMBL1078606,Cc1c2Cn3ncnc3-c3c(ccc(C(F)F)c3)-n2cn1,YDFQRORJGILBAY,YDFQRORJGILBAY-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5/c1-8-12-5-21-14(17-6-19-21)10-4-9(13(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,13H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,18,4,7,20,2,14,10,11,3,15,9,16,17,8,21,6,19,5/E:(15,16)/rA:21CCCCNNCNCCCCCCCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-YDFQRORJGILBAY_on_P28472_WT,Low,ChEMBL30,CHEMBL1078606,Cc1c2Cn3ncnc3-c3c(ccc(C(F)F)c3)-n2cn1,YDFQRORJGILBAY,YDFQRORJGILBAY-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5/c1-8-12-5-21-14(17-6-19-21)10-4-9(13(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,13H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,18,4,7,20,2,14,10,11,3,15,9,16,17,8,21,6,19,5/E:(15,16)/rA:21CCCCNNCNCCCCCCCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-YDFQRORJGILBAY_on_P31644_WT,Low,ChEMBL30,CHEMBL1078606,Cc1c2Cn3ncnc3-c3c(ccc(C(F)F)c3)-n2cn1,YDFQRORJGILBAY,YDFQRORJGILBAY-UHFFFAOYSA-N,"InChI=1S/C14H11F2N5/c1-8-12-5-21-14(17-6-19-21)10-4-9(13(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,13H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,18,4,7,20,2,14,10,11,3,15,9,16,17,8,21,6,19,5/E:(15,16)/rA:21CCCCNNCNCCCCCCCFFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s15;s15;s10d14;s3s11;s19;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-YDIZPIWBOIUJHY_on_P41594_WT,High,ChEMBL30,CHEMBL256423,Cc1cn2cc(C)nc(C#Cc3cc(C(F)(F)F)ccc3)c2c1,YDIZPIWBOIUJHY,YDIZPIWBOIUJHY-UHFFFAOYSA-N,"InChI=1S/C18H13F3N2/c1-12-8-17-16(22-13(2)11-23(17)10-12)7-6-14-4-3-5-15(9-14)18(19,20)21/h3-5,8-11H,1-2H3","""AuxInfo=1/0/N:1,7,20,21,19,11,10,23,13,3,5,2,6,12,14,9,22,15,16,17,18,8,4/E:(19,20,21)/rA:23CCCNCCCNCCCCCCCFFFCCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;s14;s15;s15;s15;d14;s19;s12d20;s4s9;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-YDKUKBAONMWJHB_on_O00591_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_O14764_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P14867_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P18505_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P18507_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P28472_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P31644_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P34903_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P47869_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P47870_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P48169_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_P78334_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_Q16445_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDKUKBAONMWJHB_on_Q99928_WT,Low,ChEMBL30,CHEMBL235168,CNc1ncc(C(=O)O)cc1,YDKUKBAONMWJHB,YDKUKBAONMWJHB-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)","""AuxInfo=1/1/N:1,10,11,5,6,3,7,2,4,8,9/E:(10,11)/rA:11CNCNCCCOOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s6;s3d10;/rC:;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YDLSCFILSJHEPL_on_P14867_WT,Low,ChEMBL30,CHEMBL3890354;CHEMBL3966451,COC1CC2(C)C(CCC3C4CCC(=CC#N)C4(C)CC(=O)C32)CC1O,YDLSCFILSJHEPL,YDLSCFILSJHEPL-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-21-11-18(25)20-15(16(21)7-5-13(21)8-9-23)6-4-14-10-17(24)19(26-3)12-22(14,20)2/h8,14-17,19-20,24H,4-7,10-12H2,1-3H3","""AuxInfo=1/0/N:19,6,1,8,13,9,12,15,16,24,20,4,14,7,10,11,25,21,3,23,18,5,17,26,22,2/rA:26COCCCCCCCCCCCCCCNCCCCOCCCO/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;s12;s13;w?14;s15;t16;s11s14;s18;s18;s20;d21;s5s10s21;s7;s3s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.550;  6.260,6.905,0.645,0.645,2.0,6.905,0.645
-YDLSCFILSJHEPL_on_P18507_WT,Low,ChEMBL30,CHEMBL3890354;CHEMBL3966451,COC1CC2(C)C(CCC3C4CCC(=CC#N)C4(C)CC(=O)C32)CC1O,YDLSCFILSJHEPL,YDLSCFILSJHEPL-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-21-11-18(25)20-15(16(21)7-5-13(21)8-9-23)6-4-14-10-17(24)19(26-3)12-22(14,20)2/h8,14-17,19-20,24H,4-7,10-12H2,1-3H3","""AuxInfo=1/0/N:19,6,1,8,13,9,12,15,16,24,20,4,14,7,10,11,25,21,3,23,18,5,17,26,22,2/rA:26COCCCCCCCCCCCCCCNCCCCOCCCO/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;s12;s13;w?14;s15;t16;s11s14;s18;s18;s20;d21;s5s10s21;s7;s3s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.550;  6.260,6.905,0.645,0.645,2.0,6.905,0.645
-YDLSCFILSJHEPL_on_P47870_WT,Low,ChEMBL30,CHEMBL3890354;CHEMBL3966451,COC1CC2(C)C(CCC3C4CCC(=CC#N)C4(C)CC(=O)C32)CC1O,YDLSCFILSJHEPL,YDLSCFILSJHEPL-UHFFFAOYSA-N,"InChI=1S/C22H31NO3/c1-21-11-18(25)20-15(16(21)7-5-13(21)8-9-23)6-4-14-10-17(24)19(26-3)12-22(14,20)2/h8,14-17,19-20,24H,4-7,10-12H2,1-3H3","""AuxInfo=1/0/N:19,6,1,8,13,9,12,15,16,24,20,4,14,7,10,11,25,21,3,23,18,5,17,26,22,2/rA:26COCCCCCCCCCCCCCCNCCCCOCCCO/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;s12;s13;w?14;s15;t16;s11s14;s18;s18;s20;d21;s5s10s21;s7;s3s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  7.550;  6.260,6.905,0.645,0.645,2.0,6.905,0.645
-YDOWIMXOKOTLRG_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1830695;42644808,Cc1c(-c2csc(Nc3ncccc3)n2)cn[nH]1,YDOWIMXOKOTLRG,YDOWIMXOKOTLRG-UHFFFAOYSA-N,"InChI=1S/C12H11N5S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-7H,1H3,(H,14,17)(H,13,15,16)","""AuxInfo=1/1/N:1,13,12,14,11,16,5,2,3,4,9,7,10,17,15,8,18,6/rA:18CCCCCSCNCNCCCCNCNN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s4d7;s3;d16;s2s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599;PubChemAID:618715,PMID:21688779,2011.0,PMID:21688779;PubChemAID:618715,2011;2012,0,1;0,0,0,0;1,,=,  7.250;  7.252,7.251,0.001,0.001,2.0,7.251,0.001
-YDSSBNQHIHUKCS_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3981039,COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1,YDSSBNQHIHUKCS,YDSSBNQHIHUKCS-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O2/c1-29-18-9-15(12-26-13-18)8-14-2-7-19-20(16-3-5-17(24)6-4-16)11-22(23(25)28)27-21(19)10-14/h2-7,9-13H,8H2,1H3,(H2,25,28)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,8,29,28,21,6,4,9,7,14,17,3,12,13,27,22,23,18,24,5,26,25,2/E:(3,4)(5,6)/rA:29COCCNCCCCCCCCCCCCFCCCCCNONCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-YDTLVCLHQUJXFS_on_P14867_WT,High,ChEMBL30,CHEMBL3659675,CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1,YDTLVCLHQUJXFS,YDTLVCLHQUJXFS-UHFFFAOYSA-N,"InChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3","""AuxInfo=1/0/N:1,3,21,20,6,7,15,22,16,10,26,12,5,14,19,18,9,8,24,2,25,17,23,11,13,4/E:(1,2)/rA:26CCCOCCCCCCNCNCCCNCCCCCNCClC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s5d9;s9;d11;s8s12;s13;d14;s15;d16;s17;s18;d19;s20;d21;s22;s19d23;s24;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3705279,PATENT:US8492408B2,2013.0,PATENT:US8492408B2,2013,1,0,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-YEARREWEVRGZMD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107197,CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1Cl,YEARREWEVRGZMD,YEARREWEVRGZMD-UHFFFAOYSA-N,"InChI=1S/C23H25ClFN3O2/c1-4-29-21-6-5-16(11-19(21)24)23-27-22(17-9-14(2)26-15(3)10-17)20-7-8-30-18(12-25)13-28(20)23/h5-6,9-11,18H,4,7-8,12-13H2,1-3H3","""AuxInfo=1/0/N:1,14,17,2,6,5,20,21,12,18,28,24,26,13,16,7,11,23,29,19,4,10,8,30,25,15,9,27,3,22/E:(2,3)(9,10)(14,15)/rA:30CCOCCCCCNCCCCCNCCCCCCOCCFCNCCCl/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;s13;d13;s15;s16;s11d16;d10;s19;s20;s21;s22;s23;s24;s23;s8s19s26;s7;s4d28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-YEBYDWBNTANLRO_on_Q05586_WT,Medium,ChEMBL30,CHEMBL164322,O=C(O)c1c(CNS(=O)(=O)c2ccccc2)c2c(cc(Cl)cc2Cl)[nH]1,YEBYDWBNTANLRO,YEBYDWBNTANLRO-UHFFFAOYSA-N,"InChI=1S/C16H12Cl2N2O4S/c17-9-6-12(18)14-11(15(16(21)22)20-13(14)7-9)8-19-25(23,24)10-4-2-1-3-5-10/h1-7,19-20H,8H2,(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,22,19,6,20,11,5,23,18,17,4,2,21,24,7,25,1,3,9,10,8/E:(2,3)(4,5)(21,22)(23,24)/CRV:25.6/rA:25OCOCCCNSOOCCCCCCCCCCClCCClN/rB:d1;s2;s2;d4;s5;s6;s7;d8;d8;s8;d11;s12;d13;s14;s11d15;s5;d17;s18;d19;s20;s20;s17d22;s23;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YECWBUNINJUDHV_on_Q05586_WT,Low,ChEMBL30,CHEMBL4214203,O=C(Cn1cc(Cl)c2ncc(-c3cc(F)c(F)cc3)cc21)N1CC(F)(F)C1,YECWBUNINJUDHV,YECWBUNINJUDHV-UHFFFAOYSA-N,"InChI=1S/C18H12ClF4N3O/c19-12-6-25(7-16(27)26-8-18(22,23)9-26)15-4-11(5-24-17(12)15)10-1-2-13(20)14(21)3-10/h1-6H,7-9H2","""AuxInfo=1/0/N:19,18,13,20,10,5,3,23,27,12,11,6,16,14,21,2,8,24,7,17,15,25,26,9,4,22,1/E:(8,9)(22,23)/rA:27OCCNCCClCNCCCCCFCFCCCCNCCFFC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d14;s16;s16;s12d18;s11;s4s8d20;s2;s22;s23;s24;s24;s22s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YECWBUNINJUDHV_on_Q13224_WT,Low,ChEMBL30,CHEMBL4214203,O=C(Cn1cc(Cl)c2ncc(-c3cc(F)c(F)cc3)cc21)N1CC(F)(F)C1,YECWBUNINJUDHV,YECWBUNINJUDHV-UHFFFAOYSA-N,"InChI=1S/C18H12ClF4N3O/c19-12-6-25(7-16(27)26-8-18(22,23)9-26)15-4-11(5-24-17(12)15)10-1-2-13(20)14(21)3-10/h1-6H,7-9H2","""AuxInfo=1/0/N:19,18,13,20,10,5,3,23,27,12,11,6,16,14,21,2,8,24,7,17,15,25,26,9,4,22,1/E:(8,9)(22,23)/rA:27OCCNCCClCNCCCCCFCFCCCCNCCFFC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;d10;s11;d12;s13;s14;d14;s16;s16;s12d18;s11;s4s8d20;s2;s22;s23;s24;s24;s22s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4194320,PMID:28947933,2017.0,PMID:28947933,2017,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YEEZWCHGZNKEEK_on_O00591_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_O14764_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P14867_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P18505_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P18507_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P28472_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P31644_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P34903_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P47869_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P47870_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P48169_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_P78334_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_Q16445_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEEZWCHGZNKEEK_on_Q99928_WT,Low,ChEMBL30,CHEMBL603,COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1,YEEZWCHGZNKEEK,YEEZWCHGZNKEEK-UHFFFAOYSA-N,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)","""AuxInfo=1/1/N:36,9,1,38,20,21,39,37,19,22,40,25,26,23,24,5,41,12,7,35,4,27,6,13,18,11,10,3,34,28,15,14,30,8,29,16,32,33,2,17,31/E:(5,6)(9,10)(37,38)/CRV:41.6/rA:41COCCCCCNCCCCCNCOOCCCCCCCCCCCONSOOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;s8;s6d10;s11;d12;s13;s14;d15;s15;s17;s18;s19;s20;s18s21;s13;s10d23;s4;d25;s26;s27;d28;s28;s30;d31;d31;s31;d34;s35;s35;d37;s38;s34d39;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEFFWDGMWBFKHL_on_O00591_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_O14764_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P14867_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P18505_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P18507_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P28472_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P31644_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P34903_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P47869_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P47870_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P48169_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_P78334_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_Q16445_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEFFWDGMWBFKHL_on_Q99928_WT,Low,ChEMBL30,CHEMBL74280,COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1,YEFFWDGMWBFKHL,YEFFWDGMWBFKHL-UHFFFAOYSA-N,"InChI=1S/C18H15ClN2O3/c1-24-13-5-2-11(3-6-13)9-21-18(23)17(22)15-10-20-16-7-4-12(19)8-14(15)16/h2-8,10,20H,9H2,1H3,(H,21,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,17,21,7,14,6,19,3,22,13,16,11,9,20,15,8,12,10,2/E:(2,3)(5,6)/rA:24COCCCCCNCOCOCCNCCCCClCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s11;d13;s14;s15;d16;s17;d18;s19;s19;s13s16d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-YEGGTYXKNVWGDJ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2426613;53246141,COCCN1CCc2c(sc(C#Cc3ccccc3)n2)C1=O,YEGGTYXKNVWGDJ,YEGGTYXKNVWGDJ-UHFFFAOYSA-N,"InChI=1S/C17H16N2O2S/c1-21-12-11-19-10-9-14-16(17(19)20)22-15(18-14)8-7-13-5-3-2-4-6-13/h2-6H,9-12H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,7,6,4,3,14,8,11,9,21,20,5,22,2,10/E:(3,4)(5,6)/rA:22COCCNCCCCSCCCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s8d11;s5s9;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830;PubChemAID:770257,PMID:23947773,2013.0,PMID:23947773;PubChemAID:770257,2013;2014,0,1;0,0,0,0;1,,=,  6.920;  6.924,6.922000000000001,0.002,0.002,2.0,6.922000000000001,0.002
-YEGUSEFGJLYAGV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL3087221;72545553,COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)n1)C2,YEGUSEFGJLYAGV,YEGUSEFGJLYAGV-UHFFFAOYSA-N,"InChI=1S/C17H20N2O3/c1-12-4-3-5-13(18-12)8-9-17(21)10-14-6-7-15(11-17)19(14)16(20)22-2/h3-5,14-15,21H,6-7,10-11H2,1-2H3","""AuxInfo=1/0/N:20,1,17,18,16,7,8,14,13,22,10,19,15,6,9,3,11,21,5,4,12,2/E:(6,7)(10,11)(14,15)/rA:22COCONCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s19;s15d19;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3089425;PubChemAID:1054272,PMID:24125886,2013.0,PMID:24125886;PubChemAID:1054272,2013;2014,1;0,0,0,0,0;1,,=,  6.090;  6.087,6.087999999999999,0.002,0.002,2.0,6.087999999999999,0.002
-YEHQQWXHNSBFQE_on_P14867_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.980,6.98,0.0,0.0,1.0,6.98,0.0
-YEHQQWXHNSBFQE_on_P18507_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.640;  6.980;  6.550,6.723,0.185,0.131,3.0,6.64,0.09
-YEHQQWXHNSBFQE_on_P28472_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682251;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.550;  6.640;  6.980,6.723,0.185,0.131,3.0,6.64,0.09
-YEHQQWXHNSBFQE_on_P31644_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YEHQQWXHNSBFQE_on_P34903_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.550,6.55,0.0,0.0,1.0,6.55,0.0
-YEHQQWXHNSBFQE_on_P47869_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-YEHQQWXHNSBFQE_on_Q16445_WT,Low,ChEMBL30,CHEMBL367639,c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2,YEHQQWXHNSBFQE,YEHQQWXHNSBFQE-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-10(5-1)14-12(18-11)9-17-16-15(14)19-13-7-3-4-8-20(13)16/h1-9,18H","""AuxInfo=1/0/N:2,1,17,16,3,6,18,15,13,4,5,8,19,9,10,11,12,7,20,14/rA:20CCCCCCNCCCCNCNCCCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;s14;d15;s16;d17;s14s18;s10d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YEJXGVRULNFIIT_on_Q14416_WT,High,ChEMBL30,CHEMBL3763263,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(CO)ccc1)cc2,YEJXGVRULNFIIT,YEJXGVRULNFIIT-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-19(2,3)12-22-16-9-8-15(20-17(16)21(4)18(22)24)14-7-5-6-13(10-14)11-23/h5-10,23H,11-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,21,20,22,23,24,16,18,6,17,15,14,11,12,3,7,13,2,5,19,4/E:(1,2,3)/rA:24CNCONCCCCCCCNCCCCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;s17;s18;d17;s20;s15d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-YEKMVJRCDWFQHG_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205918;57881958,COc1ccc(-n2cnc3c(sc4c3c(NC3CCC3)ncn4)c2=O)cc1,YEKMVJRCDWFQHG,YEKMVJRCDWFQHG-UHFFFAOYSA-N,"InChI=1S/C19H17N5O2S/c1-26-13-7-5-12(6-8-13)24-10-22-15-14-17(23-11-3-2-4-11)20-9-21-18(14)27-16(15)19(24)25/h5-11H,2-4H2,1H3,(H,20,21,23)","""AuxInfo=1/1/N:1,19,18,20,5,26,4,27,22,8,17,6,3,14,10,11,15,13,24,21,23,9,16,7,25,2,12/E:(3,4)(5,6)(7,8)/rA:27COCCCCNCNCCSCCCNCCCCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s17s19;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  7.220;  7.222,7.221,0.001,0.001,2.0,7.221,0.001
-YELFJKFGBIJKMK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115328,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1,YELFJKFGBIJKMK,YELFJKFGBIJKMK-UHFFFAOYSA-N,"InChI=1S/C22H20F5N3O2/c1-12-7-15(8-13(2)28-12)20-18-5-6-31-16(10-23)11-30(18)21(29-20)14-3-4-19(17(24)9-14)32-22(25,26)27/h3-4,7-9,16H,5-6,10-11H2,1-2H3","""AuxInfo=1/0/N:1,31,17,18,7,8,3,29,27,11,13,2,30,16,4,10,25,6,19,5,15,21,12,26,22,23,24,32,28,14,9,20/E:(1,2)(7,8)(12,13)(25,26,27)/rA:32CCCCCCCCOCCFCNCCCCCOCFFFCFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s25;s16d25;s5d15;d4;s29;s30;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-YELLAPKUWRTITI_on_O15399_WT,High,ChEMBL30,CHEMBL2010868,O=C(O)c1c(O)cc2c(O)cccc2c1,YELLAPKUWRTITI,YELLAPKUWRTITI-UHFFFAOYSA-N,"InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)","""AuxInfo=1/1/N:12,13,11,15,7,14,8,4,9,5,2,10,6,1,3/E:(14,15)/rA:15OCOCCOCCCOCCCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;d12;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4309008,PMID:29446949,2018.0,PMID:29446949,2018,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YELLAPKUWRTITI_on_Q12879_WT,High,ChEMBL30,CHEMBL2010868,O=C(O)c1c(O)cc2c(O)cccc2c1,YELLAPKUWRTITI,YELLAPKUWRTITI-UHFFFAOYSA-N,"InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)","""AuxInfo=1/1/N:12,13,11,15,7,14,8,4,9,5,2,10,6,1,3/E:(14,15)/rA:15OCOCCOCCCOCCCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;d12;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4309003,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-YELLAPKUWRTITI_on_Q13224_WT,High,ChEMBL30,CHEMBL2010868,O=C(O)c1c(O)cc2c(O)cccc2c1,YELLAPKUWRTITI,YELLAPKUWRTITI-UHFFFAOYSA-N,"InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)","""AuxInfo=1/1/N:12,13,11,15,7,14,8,4,9,5,2,10,6,1,3/E:(14,15)/rA:15OCOCCOCCCOCCCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;d12;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4309004,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-YELLAPKUWRTITI_on_Q14957_WT,High,ChEMBL30,CHEMBL2010868,O=C(O)c1c(O)cc2c(O)cccc2c1,YELLAPKUWRTITI,YELLAPKUWRTITI-UHFFFAOYSA-N,"InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)","""AuxInfo=1/1/N:12,13,11,15,7,14,8,4,9,5,2,10,6,1,3/E:(14,15)/rA:15OCOCCOCCCOCCCCC/rB:d1;s2;s2;d4;s5;s5;d7;s8;s9;d9;s11;d12;s8s13;s4d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4309006,PMID:29446949,2018.0,PMID:29446949,2018,1,0,0,0,0,,=,  4.820,4.82,0.0,0.0,1.0,4.82,0.0
-YEPPHAQTFJVTKS_on_O00222_WT,High,ChEMBL30,CHEMBL4090179,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])s1)C(=O)O,YEPPHAQTFJVTKS,YEPPHAQTFJVTKS-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-5(8(12)13)3-4-19(17,18)9(14)6-1-2-7(20-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,5,17/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-SCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037493,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-YEPPHAQTFJVTKS_on_O15303_WT,High,ChEMBL30,CHEMBL4090179,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])s1)C(=O)O,YEPPHAQTFJVTKS,YEPPHAQTFJVTKS-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-5(8(12)13)3-4-19(17,18)9(14)6-1-2-7(20-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,5,17/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-SCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-YEPPHAQTFJVTKS_on_Q14831_WT,Low,ChEMBL30,CHEMBL4090179,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])s1)C(=O)O,YEPPHAQTFJVTKS,YEPPHAQTFJVTKS-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-5(8(12)13)3-4-19(17,18)9(14)6-1-2-7(20-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,5,17/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-SCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YEPPHAQTFJVTKS_on_Q14833_WT,High,ChEMBL30,CHEMBL4090179,NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])s1)C(=O)O,YEPPHAQTFJVTKS,YEPPHAQTFJVTKS-UHFFFAOYSA-N,"InChI=1S/C9H13N2O7PS/c10-5(8(12)13)3-4-19(17,18)9(14)6-1-2-7(20-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)","""AuxInfo=1/1/N:11,12,3,4,2,10,13,18,8,1,14,19,20,9,15,16,6,7,5,17/E:(12,13)(15,16)(17,18)/CRV:11.5/rA:20NCCCPOOCOCCCCN+OO-SCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;s8;d10;s11;d12;s13;d14;s14;s10s13;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037495,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-YEQJQOXBTXBGGJ_on_Q13255_WT,High,ChEMBL30,CHEMBL578565,CCC(=O)c1ccc(-c2c(C)n(-c3cnccc3)nn2)cc1,YEQJQOXBTXBGGJ,YEQJQOXBTXBGGJ-UHFFFAOYSA-N,"InChI=1S/C17H16N4O/c1-3-16(22)13-6-8-14(9-7-13)17-12(2)21(20-19-17)15-5-4-10-18-11-15/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,11,2,17,18,6,22,7,21,16,14,10,5,8,13,3,9,15,20,19,12,4/E:(6,7)(8,9)/rA:22CCCOCCCCCCCNCCNCCCNNCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s13d17;s12;s9d19;s8;s5d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YERZNEGYJUCCPH_on_P41594_WT,Low,ChEMBL30,CHEMBL1783865,C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O,YERZNEGYJUCCPH,YERZNEGYJUCCPH-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2S/c1-4-11-23(2)15-9-10-21-19-16(15)17-18(27-19)20(25)24(12-22-17)13-5-7-14(26-3)8-6-13/h4-10,12H,1,11H2,2-3H3","""AuxInfo=1/0/N:1,5,23,2,19,25,20,24,11,10,3,16,18,21,6,7,14,13,8,26,9,15,4,17,27,22,12/E:(5,6)(7,8)/rA:27CCCNCCCCNCCSCCNCNCCCCOCCCCO/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s22;s21;s18d24;s13s17;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YERZNEGYJUCCPH_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54581505;CHEMBL1783865,C=CCN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cn1,YERZNEGYJUCCPH,YERZNEGYJUCCPH-UHFFFAOYSA-N,"InChI=1S/C20H18N4O2S/c1-4-11-23(2)15-9-10-21-19-16(15)17-18(27-19)20(25)24(12-22-17)13-5-7-14(26-3)8-6-13/h4-10,12H,1,11H2,2-3H3","""AuxInfo=1/0/N:1,5,23,2,19,25,20,24,7,8,3,26,18,21,6,11,12,13,10,15,9,27,4,17,16,22,14/E:(5,6)(7,8)/rA:27CCCNCCCCNCCCCSCONCCCCOCCCCN/rB:d1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s11;d12;s10s13;s13;d15;s15;s17;d18;s19;d20;s21;s22;s21;s18d24;s17;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.161;  8.160,8.16,0.0,0.0,2.0,8.16,0.0
-YESLTOGPBFELKO_on_Q14833_WT,High,ChEMBL30,CHEMBL4237497,Cn1nc(C2(C)CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2,YESLTOGPBFELKO,YESLTOGPBFELKO-UHFFFAOYSA-N,"InChI=1S/C18H18N6/c1-18(7-8-18)16-12-6-5-11(10-14(12)24(2)23-16)20-17-15-13(21-22-17)4-3-9-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)","""AuxInfo=1/1/N:6,1,18,19,23,24,7,8,17,11,12,9,20,10,15,4,14,5,16,13,21,22,3,2/E:(7,8)/rA:24CNNCCCCCCCCCNCCNCCCCNNCC/rB:s1;s2;d3;s4;s5;s5;s5s7;s4;s2d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s15s19;d20;s14s21;s12;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YEUILAQZGLYAOV_on_P31644_WT,High,ChEMBL30,CHEMBL3676501,Cc1c(COc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c(-c2ccccc2)no1,YEUILAQZGLYAOV,YEUILAQZGLYAOV-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O3/c1-15-20(22(27-30-15)16-5-3-2-4-6-16)14-29-21-12-7-17(13-25-21)23(28)26-19-10-8-18(24)9-11-19/h2-13H,14H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,27,24,28,8,15,18,14,19,7,20,4,2,23,9,16,13,3,6,22,10,17,21,12,29,11,5,30/E:(3,4)(5,6)(8,9)(10,11)/rA:30CCCCOCCCCCONCCCCFCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-YEUNIVCDHKRIML_on_P31644_WT,High,ChEMBL30,CHEMBL3681550,Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c(F)c1,YEUNIVCDHKRIML,YEUNIVCDHKRIML-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O3/c1-12(2)24-21(26)15-6-8-19(23-10-15)27-11-17-14(4)28-25-20(17)16-7-5-13(3)9-18(16)22/h5-10,12H,11H2,1-4H3,(H,24,26)","""AuxInfo=1/1/N:22,23,1,10,3,16,4,15,28,24,12,21,2,9,17,5,11,26,14,6,18,27,25,20,7,19,13,8/E:(1,2)/rA:28CCCCCCNOCCCCOCCCCCONCCCCNCFC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6d9;s11;s12;s13;d14;s15;d16;s17;d18;s18;s20;s21;s21;s17;s14d24;s5;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.100,9.1,0.0,0.0,1.0,9.1,0.0
-YEVYAOASVVGEDS_on_P41594_WT,High,ChEMBL30,CHEMBL3603925,N#Cc1cc(Cl)cc(-c2cc(-c3ncc(Cl)cc3)ncn2)c1,YEVYAOASVVGEDS,YEVYAOASVVGEDS-UHFFFAOYSA-N,"InChI=1S/C16H8Cl2N4/c17-12-1-2-14(20-8-12)16-6-15(21-9-22-16)11-3-10(7-19)4-13(18)5-11/h1-6,8-9H","""AuxInfo=1/0/N:17,18,22,4,7,10,2,14,20,3,8,15,5,12,9,11,16,6,1,13,21,19/rA:22NCCCCClCCCCCCNCCClCCNCNC/rB:t1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;d11;s19;s9d20;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606567;CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,1;0,0,0,0;1,0,,=,  8.500;  8.800,8.65,0.15,0.15,2.0,8.65,0.15
-YEYBSOOLSUEJAG_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,5075788;CHEMBL2349528,O=C(Nc1cc(Cl)ccc1)c1noc2c1CCC2,YEYBSOOLSUEJAG,YEYBSOOLSUEJAG-UHFFFAOYSA-N,"InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)","""AuxInfo=1/1/N:9,17,8,10,16,18,5,6,4,15,14,11,2,7,3,12,1,13/rA:18OCNCCCClCCCCNOCCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s4d9;s2;d11;s12;s13;s11d14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.201;  7.200,7.2,0.0,0.0,2.0,7.2,0.0
-YFCBVJGIYXXZBZ_on_P41594_WT,High,ChEMBL30,CHEMBL461033,COc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1,YFCBVJGIYXXZBZ,YFCBVJGIYXXZBZ-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(24)22-11-9-14(10-12-22)15-13-23(21-20-15)16-7-5-6-8-17(16)25-4/h5-9,13H,10-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,24,25,23,26,9,20,10,19,6,8,7,4,3,12,15,21,22,11,5,13,2,14/E:(1,2,3)/rA:26COCCNCCCCCNCOOCCCCCCNNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;w?8;s9;s10;s11;d12;s12;s14;s15;s15;s15;s11;s8s19;s7;s5d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  5.400,5.4,0.0,0.0,1.0,5.4,0.0
-YFCBVJGIYXXZBZ_on_Q13255_WT,High,ChEMBL30,CHEMBL461033,COc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1,YFCBVJGIYXXZBZ,YFCBVJGIYXXZBZ-UHFFFAOYSA-N,"InChI=1S/C19H24N4O3/c1-19(2,3)26-18(24)22-11-9-14(10-12-22)15-13-23(21-20-15)16-7-5-6-8-17(16)25-4/h5-9,13H,10-12H2,1-4H3","""AuxInfo=1/0/N:16,17,18,1,24,25,23,26,9,20,10,19,6,8,7,4,3,12,15,21,22,11,5,13,2,14/E:(1,2,3)/rA:26COCCNCCCCCNCOOCCCCCCNNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;w?8;s9;s10;s11;d12;s12;s14;s15;s15;s15;s11;s8s19;s7;s5d21;s4;d23;s24;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-YFEZLTPSCJWVHI_on_O00591_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_O14764_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P14867_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P18505_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P18507_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P28472_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P31644_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P34903_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P47869_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P47870_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P48169_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_P78334_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_Q16445_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFEZLTPSCJWVHI_on_Q99928_WT,Low,ChEMBL30,CHEMBL55148,O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2,YFEZLTPSCJWVHI,YFEZLTPSCJWVHI-UHFFFAOYSA-N,InChI=1S/C15H9BrO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,10,11,9,15,18,6,3,5,7,14,2,13,4,8,1,12/rA:18OCCCCCCBrCCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-YFFSQJZOEORGNJ_on_P31644_WT,High,ChEMBL30,CHEMBL3681577,COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1,YFFSQJZOEORGNJ,YFFSQJZOEORGNJ-UHFFFAOYSA-N,"InChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-4-12(18)8-19-14)9-24-15-6-3-11(7-20-15)17(22)23-2/h3-8H,9H2,1-2H3","""AuxInfo=1/0/N:13,1,6,19,18,7,25,22,10,12,5,20,11,17,8,16,3,21,23,24,15,4,2,9,14/rA:25COCOCCCCOCCCCONCCCCCFCNNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s20;s17d22;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-YFGDUEHHLUXXKH_on_P41594_WT,High,ChEMBL30,CHEMBL210550,Cc1nc(NC(=O)c2cc(I)ccc2)ccc1,YFGDUEHHLUXXKH,YFGDUEHHLUXXKH-UHFFFAOYSA-N,"InChI=1S/C13H11IN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)","""AuxInfo=1/1/N:1,16,13,17,14,12,15,9,2,8,10,4,6,11,3,5,7/rA:17CCNCNCOCCCICCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;d10;s12;s8d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865368,PMID:16678408,2006.0,PMID:16678408,2006,1,0,0,0,0,,=,  4.970,4.97,0.0,0.0,1.0,4.97,0.0
-YFISEEHEDYLAHH_on_Q14416_WT,High,ChEMBL30,CHEMBL3955188,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(F)c1,YFISEEHEDYLAHH,YFISEEHEDYLAHH-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O2/c1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25/h5-13H,3-4H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:25,1,19,20,17,4,16,5,28,31,8,22,27,24,18,21,3,6,15,7,29,14,9,10,30,11,23,26,13,12,2/E:(12,13)(27,28)/rA:31COCCCCCCCCNONCCCCCCCCCNCCNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s29;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4310442,PATENT:US9278960B2,2016.0,PMID:30350962,2018,1,0,0,0,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-YFISEEHEDYLAHH_on_Q14832_WT,Low,ChEMBL30,CHEMBL3955188,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(F)c1,YFISEEHEDYLAHH,YFISEEHEDYLAHH-UHFFFAOYSA-N,"InChI=1S/C24H21FN4O2/c1-14-27-12-16(13-28-14)4-3-15-5-7-19-20(11-23(24(26)30)29-22(19)9-15)18-8-6-17(31-2)10-21(18)25/h5-13H,3-4H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:25,1,19,20,17,4,16,5,28,31,8,22,27,24,18,21,3,6,15,7,29,14,9,10,30,11,23,26,13,12,2/E:(12,13)(27,28)/rA:31COCCCCCCCCNONCCCCCCCCCNCCNCCCFC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s29;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4310444,PMID:30350962,2018.0,PMID:30350962,2018,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-YFJDLZNHABYACJ_on_Q05586_WT,High,ChEMBL30,CHEMBL248443,CS(=O)(=O)N(CCC(F)(F)F)c1c2nc(O)c(O)nc2cc(Cl)c1Cl,YFJDLZNHABYACJ,YFJDLZNHABYACJ-UHFFFAOYSA-N,"InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)","""AuxInfo=1/1/N:1,7,6,21,22,20,24,13,12,17,15,8,23,25,9,10,11,19,14,5,18,16,3,4,2/E:(15,16,17)(23,24)/CRV:25.6/rA:25CSOONCCCFFFCCNCOCONCCCClCCl/rB:s1;d2;d2;s2;s5;s6;s7;s8;s8;s8;s5;d12;s13;d14;s15;s15;s17;d17;s13s19;d20;s21;s22;s12d22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.660;  7.960;  7.750,7.79,0.126,0.08900000000000001,3.0,7.75,0.09
-YFJMQCAHONJBTO_on_Q14833_WT,Low,ChEMBL30,CHEMBL3799087,Nc1c(C(=O)Nc2cc(Cl)c(N3C(=O)C4CCC3C4)cc2)nccc1,YFJMQCAHONJBTO,YFJMQCAHONJBTO-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O2/c19-13-9-11(22-17(24)16-14(20)2-1-7-21-16)4-6-15(13)23-12-5-3-10(8-12)18(23)25/h1-2,4,6-7,9-10,12H,3,5,8,20H2,(H,22,24)","""AuxInfo=1/1/N:24,25,16,21,17,20,23,19,8,15,7,18,9,2,11,3,4,13,10,1,22,6,12,5,14/rA:25NCCCONCCCClCNCOCCCCCCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;d13;s13;s15;s16;s12s17;s15s18;s11;s7d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,<;>,  8.000;  5.000,6.5,1.5,1.5,2.0,6.5,1.5
-YFJUDGZIRPWFBS_on_Q14416_WT,High,ChEMBL30,CHEMBL1094763,CC(C)(C)c1ccc(OCC2CN(c3cccc(C#N)c3)C(=O)O2)cc1,YFJUDGZIRPWFBS,YFJUDGZIRPWFBS-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,3,4,16,17,15,6,26,7,25,21,19,12,10,18,5,14,8,11,22,2,20,13,23,9,24/E:(1,2,3)(7,8)(9,10)/rA:26CCCCCCCCOCCCNCCCCCCNCCOOCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s18;t19;s14d18;s13;d22;s11s22;s8;s5d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121284;CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  5.310;  7.090,6.2,0.89,0.89,2.0,6.2,0.89
-YFKGKOJKLVSGSA_on_P41594_WT,High,ChEMBL30,CHEMBL3597593,O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccn2)CC1,YFKGKOJKLVSGSA,YFKGKOJKLVSGSA-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2","""AuxInfo=1/0/N:19,20,15,6,14,18,16,5,12,23,21,7,11,24,13,17,4,9,22,8,10,2,1,3/E:(9,10)(13,14)(23,24)/CRV:22.5/rA:24ON+O-CCCCNCNCCCCCCCCCCCNCC/rB:d1;s2;s2;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;w?13;s14;t15;s16;d17;s18;d19;s20;s17d21;s13;s10s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599915;CHEMBL3599914,PMID:26014480,2015.0,PMID:26014480,2015,1;0,0,0,0;1,0,,=,  9.400;  9.520,9.46,0.06,0.06,2.0,9.46,0.06
-YFKZTGLZOGUIJA_on_P31644_WT,High,ChEMBL30,CHEMBL3676477,CCOC(=O)C(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1,YFKZTGLZOGUIJA,YFKZTGLZOGUIJA-UHFFFAOYSA-N,"InChI=1S/C22H23N3O5/c1-4-28-22(27)14(2)24-21(26)17-10-11-19(23-12-17)29-13-18-15(3)30-25-20(18)16-8-6-5-7-9-16/h5-12,14H,4,13H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:1,7,19,2,26,25,27,24,28,12,13,30,16,6,18,23,11,17,14,22,9,4,29,8,21,10,5,3,15,20/E:(6,7)(8,9)/rA:30CCOCOCCNCOCCCCOCCCCONCCCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s9;d11;s12;d13;s14;s15;s16;d17;s18;s18;s20;s17d21;s22;d23;s24;d25;s26;s23d27;s14;s11d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-YFLRVMPCONWBFK_on_O15399_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YFLRVMPCONWBFK_on_O60391_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YFLRVMPCONWBFK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YFLRVMPCONWBFK_on_Q05586_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720;  7.720,7.72,0.0,0.0,2.0,7.72,0.0
-YFLRVMPCONWBFK_on_Q12879_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YFLRVMPCONWBFK_on_Q13224_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720;  7.720,7.72,0.0,0.0,2.0,7.72,0.0
-YFLRVMPCONWBFK_on_Q14957_WT,Low,ChEMBL30,CHEMBL127510,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1,YFLRVMPCONWBFK,YFLRVMPCONWBFK-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,17,16,5,8,19,6,3,2,12,13,9,1,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCCOCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YFOGCTLEXPQNKV_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL178690;11483690,COC1CCC(C(=O)c2ccc3nc4CCCc4cc3c2)CC1,YFOGCTLEXPQNKV,YFOGCTLEXPQNKV-UHFFFAOYSA-N,"InChI=1S/C20H23NO2/c1-23-17-8-5-13(6-9-17)20(22)15-7-10-19-16(12-15)11-14-3-2-4-18(14)21-19/h7,10-13,17H,2-6,8-9H2,1H3","""AuxInfo=1/0/N:1,16,17,15,5,22,10,4,23,11,19,21,6,18,9,20,3,14,12,7,13,8,2/E:(5,6)(8,9)/rA:23COCCCCCOCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;s15;s16;s14s17;d18;s12s19;s9d20;s6;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874546;PubChemAID:241789,PMID:15771457,2005.0,PMID:15771457;PubChemAID:241789,2005;2010,1;0,0,0,0,0;1,,=,  9.250;  9.252,9.251,0.001,0.001,2.0,9.251,0.001
-YFPIEHCERJZNFC_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013203,CN1CCN(Cc2c(O)ccc3c2nc(-c2ccccc2)[nH]3)CC1,YFPIEHCERJZNFC,YFPIEHCERJZNFC-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,19,18,20,17,21,11,10,3,24,4,23,6,16,7,12,8,13,15,22,14,2,5,9/E:(3,4)(5,6)(9,10)(11,12)/rA:24CNCCNCCCOCCCCNCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;s7d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s12s15;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YFPIEHCERJZNFC_on_Q13224_WT,High,ChEMBL30,CHEMBL2013203,CN1CCN(Cc2c(O)ccc3c2nc(-c2ccccc2)[nH]3)CC1,YFPIEHCERJZNFC,YFPIEHCERJZNFC-UHFFFAOYSA-N,"InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,19,18,20,17,21,11,10,3,24,4,23,6,16,7,12,8,13,15,22,14,2,5,9/E:(3,4)(5,6)(9,10)(11,12)/rA:24CNCCNCCCOCCCCNCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;s7d12;s13;d14;s15;d16;s17;d18;s19;s16d20;s12s15;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-YFRMWIUKPUOJPS_on_P41594_WT,High,ChEMBL30,CHEMBL383846,CN1CC(=O)N=C1NC(=O)c1cccc(Cl)c1,YFRMWIUKPUOJPS,YFRMWIUKPUOJPS-UHFFFAOYSA-N,"InChI=1S/C11H10ClN3O2/c1-15-6-9(16)13-11(15)14-10(17)7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H,13,14,16,17)","""AuxInfo=1/1/N:1,13,12,14,17,3,11,15,4,9,7,16,6,8,2,5,10/rA:17CNCCONCNCOCCCCCClC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-YFSVQRSNUFTLMZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4115529,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C,YFSVQRSNUFTLMZ,YFSVQRSNUFTLMZ-UHFFFAOYSA-N,"InChI=1S/C22H25N3O2/c1-14-5-6-18(12-20(14)26-4)22-24-21(17-7-9-23-15(2)11-17)19-8-10-27-16(3)13-25(19)22/h5-7,9,11-12,16H,8,10,13H2,1-4H3","""AuxInfo=1/0/N:27,14,21,1,25,24,10,17,11,18,15,4,22,26,13,20,9,5,16,3,8,6,12,7,23,2,19/rA:27COCCCCNCCCCNCCCCCCOCCCNCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s20;s6s16s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-YFUHGVFPDLPNRZ_on_P41594_WT,High,ChEMBL30,CHEMBL3655629,N#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1,YFUHGVFPDLPNRZ,YFUHGVFPDLPNRZ-UHFFFAOYSA-N,"InChI=1S/C17H10FN5O2/c18-16-2-1-11(5-19)3-15(16)17(24)23-12-4-13(7-20-6-12)25-14-8-21-10-22-9-14/h1-4,6-10H,(H,23,24)","""AuxInfo=1/1/N:4,5,25,24,2,13,15,19,23,21,3,12,16,18,8,6,9,7,1,14,20,22,11,10,17/E:(8,9)(21,22)/rA:25NCCCCCFCCONCCNCCOCCNCNCCC/rB:t1;s2;d3;s4;d5;s6;s6;s8;d9;s9;s11;d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s18d22;s12d16;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.120,5.12,0.0,0.0,1.0,5.12,0.0
-YFWMHLFJGJGXIC_on_Q13255_WT,High,ChEMBL30,CHEMBL3759354,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ccs1,YFWMHLFJGJGXIC,YFWMHLFJGJGXIC-UHFFFAOYSA-N,"InChI=1S/C20H13ClN2O3S/c1-11-13(8-9-27-11)18(24)22-12-6-7-17(16(21)10-12)23-19(25)14-4-2-3-5-15(14)20(23)26/h2-10H,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,8,9,25,26,24,2,7,3,15,14,22,10,4,20,12,23,6,11,5,21,13,27/E:(2,3)(4,5)(14,15)(19,20)(25,26)/rA:27CCCCONCCCCNCOCCCCCCCOCClCCCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s11s15;d20;s10;s22;s7d22;s3;d25;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.820;  5.820,5.82,0.0,0.0,2.0,5.82,0.0
-YFYNOWXBIBKGHB_on_O00222_WT,Medium,ChEMBL30,CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL712473,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.350,4.35,0.0,0.0,1.0,4.35,0.0
-YFYNOWXBIBKGHB_on_O15303_WT,Medium,ChEMBL30,CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL712388;CHEMBL718130,PMID:9572889,1998.0,PMID:9572889;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  4.090;  4.220,4.155,0.065,0.065,2.0,4.155,0.065
-YFYNOWXBIBKGHB_on_P41594_WT,Medium,ChEMBL30,CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL709916;CHEMBL711712,PMID:9572889,1998.0,PMID:9572889;PMID:10893301,1998;2000,0,1;0,0,0;1,0,,=,  4.640;  4.820,4.73,0.09,0.09,2.0,4.73,0.09
-YFYNOWXBIBKGHB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL719076;CHEMBL717335;CHEMBL709771;CHEMBL717334,PMID:8831765,1996.0,PMID:10893301;PMID:8831765;PMID:9301676;PMID:9572889,2000;1996;1997;1998,0,0;1;1;1,0,1;0;0;0,0,,=,  4.380;  4.660;  5.030;  4.820,4.723,0.237,0.13699999999999998,4.0,4.74,0.185
-YFYNOWXBIBKGHB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL34453;CHEMBL34453;CHEMBL34453;CHEMBL29726;CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718215;CHEMBL713618;CHEMBL717757;CHEMBL713618;CHEMBL717752,PMID:7738999,1995.0,PMID:10893301;PMID:9572889;PMID:7738999;PMID:9572889;PMID:9301676,2000;1998;1995;1998;1997,0,0;1;1;1;1,0,1;0;0;0;0,0,,=,  5.300;  5.700;  4.920;  4.890;  4.750,5.112,0.34600000000000003,0.17300000000000001,5.0,4.92,0.17
-YFYNOWXBIBKGHB_on_Q14832_WT,Medium,ChEMBL30,CHEMBL29726;CHEMBL34453,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL714798;CHEMBL818777,PMID:9572889,1998.0,PMID:9572889;PMID:10397508,1998;1999,0,1,0,0,0,,=,  4.520;  4.520,4.52,0.0,0.0,2.0,4.52,0.0
-YFYNOWXBIBKGHB_on_Q14833_WT,Medium,ChEMBL30,CHEMBL34453;CHEMBL34453;CHEMBL29726;CHEMBL29726,NC1(C(=O)O)CCC(C(=O)O)C1,YFYNOWXBIBKGHB,YFYNOWXBIBKGHB-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:7,6,12,8,9,3,2,1,10,11,4,5/E:(9,10)(11,12)/rA:12NCCOOCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;s2s8;/rC:;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL715495;CHEMBL717241;CHEMBL714003;CHEMBL715490,PMID:7738999,1995.0,PMID:10888329;PMID:10893301;PMID:9572889;PMID:9301676,2000;2000;1998;1997,0,1;0;1;1,0,0;1;0;0,0,,=,  4.410;  4.010;  4.300;  4.320,4.26,0.15,0.087,4.0,4.31,0.055
-YFYWYQJKZHSPEE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71479666;CHEMBL3087216,COC(=O)N1C2CCC1CC(O)(C#Cc1cc(Cl)ccc1)C2,YFYWYQJKZHSPEE,YFYWYQJKZHSPEE-UHFFFAOYSA-N,"InChI=1S/C17H18ClNO3/c1-22-16(20)19-14-5-6-15(19)11-17(21,10-14)8-7-12-3-2-4-13(18)9-12/h2-4,9,14-15,21H,5-6,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,7,8,14,13,16,22,10,15,17,6,9,3,11,18,5,4,12,2/E:(5,6)(10,11)(14,15)/rA:22COCONCCCCCCOCCCCCClCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;s17;d17;s19;s15d20;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  7.562;  7.560,7.561,0.001,0.001,2.0,7.561,0.001
-YFZBHCKPWWLOER_on_O00591_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_O14764_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P14867_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P18505_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P18507_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P28472_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P31644_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P34903_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P47869_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P47870_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P48169_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_P78334_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_Q16445_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YFZBHCKPWWLOER_on_Q99928_WT,Low,ChEMBL30,CHEMBL1194605,N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1,YFZBHCKPWWLOER,YFZBHCKPWWLOER-UHFFFAOYSA-N,"InChI=1S/C14H12N4O2/c15-13-7-6-12(10-4-2-1-3-5-10)16-18(13)9-11-8-14(19)17-20-11/h1-8,15H,9H2,(H,17,19)","""AuxInfo=1/1/N:9,8,10,7,11,4,3,16,14,6,15,5,2,17,1,12,19,13,18,20/E:(2,3)(4,5)/rA:20NCCCCCCCCCCNNCCCCONO/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;d5;s2s12;s13;s14;d15;s16;s17;d17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681951,PMID:1331456,1992.0,PMID:1331456,1992,1,0,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-YGDJJHLCQZGZIE_on_P31644_WT,High,ChEMBL30,CHEMBL3676520,Cc1c(COc2ccc(C(=O)N(C)C(C)C)cn2)c(-c2ccccc2)no1,YGDJJHLCQZGZIE,YGDJJHLCQZGZIE-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-14(2)24(4)21(25)17-10-11-19(22-12-17)26-13-18-15(3)27-23-20(18)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3","""AuxInfo=1/0/N:15,16,1,13,23,22,24,21,25,8,7,17,4,14,2,20,9,3,6,19,10,18,26,12,11,5,27/E:(1,2)(6,7)(8,9)/rA:27CCCCOCCCCCONCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s12;s14;s14;s9;s6d17;s3;s19;d20;s21;d22;s23;s20d24;d19;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-YGFYDAOIGCRBFD_on_P41594_WT,High,ChEMBL30,CHEMBL181411,Cc1nc(C#Cc2cnc(-c3ccncc3)cc2)cs1,YGFYDAOIGCRBFD,YGFYDAOIGCRBFD-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)4-2-13-3-5-16(18-10-13)14-6-8-17-9-7-14/h3,5-11H,1H3","""AuxInfo=1/0/N:1,6,18,5,17,12,16,13,15,8,19,2,7,11,4,10,14,9,3,20/E:(6,7)(8,9)/rA:20CCNCCCCCNCCCCNCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s11d15;s10;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431,PMID:15225713,2004.0,PMID:15225713,2004,1,0,0,0,0,,=,  7.540,7.54,0.0,0.0,1.0,7.54,0.0
-YGGDHMSWIMDIPD_on_P41594_WT,High,ChEMBL30,CHEMBL3940773,CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)c1,YGGDHMSWIMDIPD,YGGDHMSWIMDIPD-UHFFFAOYSA-N,"InChI=1S/C19H16ClN5O3/c1-11(15-10-16(28-24-15)12-4-3-5-14(20)8-12)27-19-23-22-18(25(19)2)13-6-7-21-17(26)9-13/h3-11H,1-2H3,(H,21,26)","""AuxInfo=1/1/N:1,16,26,27,25,9,10,22,14,28,2,21,8,23,17,20,12,7,4,24,11,6,5,18,15,13,3,19/rA:28CCOCNNCCCCNCOCNCCNOCCCCClCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s12;s8d12;s4s7;s15;s2;d17;s18;s19;s20;d21;s22;s23;d23;s25;s21d26;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3880823,PATENT:US20080125436A1,2008.0,PATENT:US20080125436A1,2008,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YGHYROJTSZDZEQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL3930650,CC1(C)CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,YGHYROJTSZDZEQ,YGHYROJTSZDZEQ-UHFFFAOYSA-N,"InChI=1S/C19H18N2O2/c1-19(2)12-13-21(18(22)23-19)17-11-10-16(14-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,16,15,17,14,18,12,11,9,8,4,5,19,13,10,7,21,2,20,6,22,23/E:(1,2)(4,5)(6,7)/rA:23CCCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s13d17;s10;s7d19;s6;d21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9221802B2,2015.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YGIJLTFYPYQDCB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3890866,COc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1,YGIJLTFYPYQDCB,YGIJLTFYPYQDCB-UHFFFAOYSA-N,"InChI=1S/C20H19F3N4O3S/c1-29-19-25-8-16(31-19)13-7-15(18(24)28)26-14-6-11(2-3-12(13)14)9-27-4-5-30-17(10-27)20(21,22)23/h2-3,6-8,17H,4-5,9-10H2,1H3,(H2,24,28)","""AuxInfo=1/1/N:1,17,16,21,22,30,8,5,19,29,18,15,7,14,9,6,24,10,3,25,26,27,28,11,4,13,20,12,2,23,31/E:(21,22,23)/rA:31COCNCCCCCCNONCCCCCCNCCOCCFFFCCS/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s25;s25;s20s24;s14d18;s3s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.480,7.48,0.0,0.0,1.0,7.48,0.0
-YGIPXNYYYVPNBU_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,71720792;CHEMBL2338569;CHEMBL2338569,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccc(F)cc1,YGIPXNYYYVPNBU,YGIPXNYYYVPNBU-UHFFFAOYSA-N,"InChI=1S/C20H20ClFN2O2/c21-15-4-1-3-14(11-15)20(26)24-18-6-2-5-17(12-18)23-19(25)13-7-9-16(22)10-8-13/h1,3-4,7-11,17-18H,2,5-6,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:17,6,18,16,5,7,21,26,22,25,13,19,20,12,14,23,4,8,2,10,15,24,3,9,1,11/E:(7,8)(9,10)/rA:26OCNCCCCCNCOCCCClCCCCCCCCFCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:729738;CHEMBL2343304;CHEMBL2343303,PMID:23357634,2013.0,PubChemAID:729738;PMID:23357634;PMID:23357634,2013,0;1;0,0,0,0;0;1,1;0;0,,=,  6.712;  6.710;  6.310,6.577000000000001,0.18899999999999997,0.134,3.0,6.71,0.002
-YGJCTCQNRBKGHP_on_P31644_WT,High,ChEMBL30,CHEMBL3681567,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccc(Cl)cc2F)no1,YGJCTCQNRBKGHP,YGJCTCQNRBKGHP-UHFFFAOYSA-N,"InChI=1S/C20H19ClFN3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-6-5-14(21)8-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)","""AuxInfo=1/1/N:14,15,1,8,21,20,7,24,16,4,13,2,9,22,19,3,25,6,18,10,23,26,17,12,27,11,5,28/E:(1,2)/rA:28CCCCOCCCCCONCCCCNCCCCCClCCFNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s22;s19d24;s25;d18;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-YGKSPOBIXHTPMV_on_O00591_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_O14764_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P14867_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P18505_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P18507_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P28472_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P31644_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P34903_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P47869_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P47870_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P48169_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_P78334_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_Q16445_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGKSPOBIXHTPMV_on_Q99928_WT,Low,ChEMBL30,CHEMBL9662,NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1,YGKSPOBIXHTPMV,YGKSPOBIXHTPMV-UHFFFAOYSA-N,"InChI=1S/C15H12Cl2N2O2/c16-9-5-6-13(19-14(20)8-18)11(7-9)15(21)10-3-1-2-4-12(10)17/h1-7H,8,18H2,(H,19,20)","""AuxInfo=1/1/N:15,14,16,13,20,21,17,2,18,10,7,11,6,3,8,19,12,1,5,4,9/rA:21NCCONCCCOCCClCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d10;s11;s11;d13;s14;s10d15;s7;d17;s18;s18;s6d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YGLRTXXKBNPOLL_on_P41594_WT,High,ChEMBL30,CHEMBL3122216,Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12,YGLRTXXKBNPOLL,YGLRTXXKBNPOLL-UHFFFAOYSA-N,"InChI=1S/C17H15N7O/c1-11-6-8-20-22-14(11)15-16-17(24(2)23-15)21-13(9-19-16)25-10-12-5-3-4-7-18-12/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:1,11,19,20,18,3,21,4,23,16,2,17,14,7,8,25,12,22,24,5,13,6,9,10,15/rA:25CCCCNNCCNNCCNCOCCCCCCNCNC/rB:s1;d2;s3;d4;s5;s2d6;s7;d8;s9;s10;s10;d12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s23;s8s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3124717,PMID:24392688,2014.0,PMID:24392688,2014,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-YGOCAMFQDLFNQK_on_Q12879_WT,Low,ChEMBL30,CHEMBL159279,N=C(NCc1c(C(F)(F)F)cccc1)c1ccc(OC(F)(F)F)cc1,YGOCAMFQDLFNQK,YGOCAMFQDLFNQK-UHFFFAOYSA-N,"InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)","""AuxInfo=1/1/N:13,12,14,11,16,25,17,24,4,15,5,18,6,2,7,20,8,9,10,21,22,23,1,3,19/E:(5,6)(7,8)(17,18,19)(20,21,22)/rA:25NCNCCCCFFFCCCCCCCCOCFFFCC/rB:d1;s2;s3;s4;d5;s6;s7;s7;s7;s6;d11;s12;s5d13;s2;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749389,PMID:12639561,2003.0,PMID:12639561,2003,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YGOCAMFQDLFNQK_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL159279;9863769;CHEMBL159279,N=C(NCc1c(C(F)(F)F)cccc1)c1ccc(OC(F)(F)F)cc1,YGOCAMFQDLFNQK,YGOCAMFQDLFNQK-UHFFFAOYSA-N,"InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)","""AuxInfo=1/1/N:13,12,14,11,16,25,17,24,4,15,5,18,6,2,7,20,8,9,10,21,22,23,1,3,19/E:(5,6)(7,8)(17,18,19)(20,21,22)/rA:25NCNCCCCFFFCCCCCCCCOCFFFCC/rB:d1;s2;s3;s4;d5;s6;s7;s7;s7;s6;d11;s12;s5d13;s2;d15;s16;d17;s18;s19;s20;s20;s20;s18;s15d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3117326;PubChemAID:307755;CHEMBL887786,PMID:12639561,2003.0,PMID:24412068;PubChemAID:307755;PMID:17498948,2014;2010;2007,1;0;0,0,0,0;0;1,0;1;0,,=,  7.330;  7.328;  7.140,7.266,0.08900000000000001,0.063,3.0,7.327999999999999,0.002
-YGOWCGDKOMAQEC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4107449,CC1COCC(C)N1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1,YGOWCGDKOMAQEC,YGOWCGDKOMAQEC-UHFFFAOYSA-N,"InChI=1S/C21H25N5O2/c1-13-11-28-12-14(2)26(13)9-15-4-5-17-18(16-8-23-25(3)10-16)7-20(21(22)27)24-19(17)6-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H2,22,27)","""AuxInfo=1/1/N:1,7,18,11,12,28,21,20,9,16,3,5,2,6,10,15,13,14,27,22,23,24,19,26,17,8,25,4/E:(1,2)(11,12)(13,14)/rA:28CCCOCCCNCCCCCCCCNCNCCCCNONCC/rB:s1;s2;s3;s4;s5;s6;s2s6;s8;s9;d10;s11;d12;s13;s14;d15;s16;s17;s17;s15d19;d14;s21;s22;s23;d23;d22;s13s26;s10d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-YGRHWBGOHVCPJU_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4111276,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CF)c3)n2)ccn1,YGRHWBGOHVCPJU,YGRHWBGOHVCPJU-UHFFFAOYSA-N,"InChI=1S/C22H22F3N3O2/c1-13-9-15(5-7-26-13)20-18-6-8-29-14(2)12-28(18)21(27-20)16-3-4-19(30-22(24)25)17(10-16)11-23/h3-5,7,9-10,14,22H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,28,7,29,8,3,26,24,12,2,10,4,15,23,6,18,5,14,20,25,21,22,30,27,13,9,19/E:(24,25)/rA:30CCCCCCCCOCCCNCCCCCOCFFCCFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s19;s20;s20;s18;s23;s24;s15d23;s5d14;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-YGTDTYFUHMAVMK_on_Q05586_WT,Low,ChEMBL30,CHEMBL4284692,CN(CCCCc1ccccc1)C1CCc2c(CC1)nccc2,YGTDTYFUHMAVMK,YGTDTYFUHMAVMK-UHFFFAOYSA-N,"InChI=1S/C21H28N2/c1-23(17-6-5-10-18-8-3-2-4-9-18)20-13-12-19-11-7-16-22-21(19)15-14-20/h2-4,7-9,11,16,20H,5-6,10,12-15,17H2,1H3","""AuxInfo=1/0/N:1,10,9,11,5,4,22,8,12,6,23,15,14,19,18,21,3,7,16,13,17,20,2/E:(3,4)(8,9)/rA:23CNCCCCCCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;d16;s17;s13s18;s17;d20;s21;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-YGTDTYFUHMAVMK_on_Q13224_WT,Low,ChEMBL30,CHEMBL4284692,CN(CCCCc1ccccc1)C1CCc2c(CC1)nccc2,YGTDTYFUHMAVMK,YGTDTYFUHMAVMK-UHFFFAOYSA-N,"InChI=1S/C21H28N2/c1-23(17-6-5-10-18-8-3-2-4-9-18)20-13-12-19-11-7-16-22-21(19)15-14-20/h2-4,7-9,11,16,20H,5-6,10,12-15,17H2,1H3","""AuxInfo=1/0/N:1,10,9,11,5,4,22,8,12,6,23,15,14,19,18,21,3,7,16,13,17,20,2/E:(3,4)(8,9)/rA:23CNCCCCCCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s2;s13;s14;s15;d16;s17;s13s18;s17;d20;s21;s16d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4274851,PMID:30103189,2018.0,PMID:30103189,2018,0,0,0,1,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-YHBLPWFEBIEIGQ_on_Q13255_WT,High,ChEMBL30,CHEMBL583590,Cc1c(-c2ccc3ncccc3c2)nnn1-c1cnccc1,YHBLPWFEBIEIGQ,YHBLPWFEBIEIGQ-UHFFFAOYSA-N,"InChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3","""AuxInfo=1/0/N:1,10,21,11,22,5,6,20,9,13,18,2,12,4,17,7,3,19,8,14,15,16/rA:22CCCCCCCNCCCCCNNNCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s7s11;s4d12;s3;d14;s2s15;s16;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.310,8.31,0.0,0.0,1.0,8.31,0.0
-YHBYGMGQXNUERN_on_P41594_WT,Medium,ChEMBL30,CHEMBL3978827,CN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C,YHBYGMGQXNUERN,YHBYGMGQXNUERN-UHFFFAOYSA-N,"InChI=1S/C18H18N4O/c1-18(2)13-22(17(23)21(18)3)16-9-8-15(12-20-16)7-6-14-5-4-10-19-11-14/h4-5,8-12H,13H2,1-3H3","""AuxInfo=1/0/N:22,23,1,14,13,11,10,8,7,15,17,18,20,12,9,6,3,21,16,19,2,5,4/E:(1,2)/rA:23CNCONCCCCCCCCCCNCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-YHCKJZYWWXOGGQ_on_P14867_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YHCKJZYWWXOGGQ_on_P18507_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-YHCKJZYWWXOGGQ_on_P28472_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-YHCKJZYWWXOGGQ_on_P31644_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.880,6.88,0.0,0.0,1.0,6.88,0.0
-YHCKJZYWWXOGGQ_on_P34903_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YHCKJZYWWXOGGQ_on_P47869_WT,Low,ChEMBL30,CHEMBL69842,CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YHCKJZYWWXOGGQ,YHCKJZYWWXOGGQ-UHFFFAOYSA-N,"InChI=1S/C14H17N3OS/c1-14(2)6-8-11(10(18)7-14)13(15-3)19-12(8)9-4-5-16-17-9/h4-5,15H,6-7H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,2,16,15,6,19/E:(1,2)/rA:19CNCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YHDKWCMFTUZPAQ_on_P41594_WT,Low,ChEMBL30,CHEMBL214538,COc1cccc(OCC#Cc2c(C)cccn2)c1,YHDKWCMFTUZPAQ,YHDKWCMFTUZPAQ-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c1-13-6-4-10-17-16(13)9-5-11-19-15-8-3-7-14(12-15)18-2/h3-4,6-8,10,12H,11H2,1-2H3","""AuxInfo=1/0/N:14,1,5,16,10,15,4,6,11,17,9,19,13,3,7,12,18,2,8/rA:19COCCCCCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;t10;s11;d12;s13;s13;d15;s16;s12d17;s3d7;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YHEICCZGDJGUTG_on_P41594_WT,High,ChEMBL30,CHEMBL2151481,Cc1cc(-c2noc(C3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)ccc1,YHEICCZGDJGUTG,YHEICCZGDJGUTG-UHFFFAOYSA-N,"InChI=1S/C18H16ClN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,25,26,24,17,20,16,21,3,10,22,2,4,9,18,15,5,8,19,23,6,11,13,14,7,12/E:(5,6)(7,8)(10,11)(23,24)/CRV:26.6/rA:26CCCCCNOCCCNSOOCCCCClCCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;d12;d12;s12;d15;s16;d17;s18;s18;s15d20;s9s11;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-YHHCQFOSZRZNQC_on_P14867_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YHHCQFOSZRZNQC_on_P18507_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL680432;CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.190;  7.080;  7.170,7.48,0.503,0.35600000000000004,3.0,7.17,0.09
-YHHCQFOSZRZNQC_on_P28472_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680432;CHEMBL682709;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.080;  7.170;  8.190,7.48,0.503,0.35600000000000004,3.0,7.17,0.09
-YHHCQFOSZRZNQC_on_P31644_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-YHHCQFOSZRZNQC_on_P34903_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-YHHCQFOSZRZNQC_on_P47869_WT,Low,ChEMBL30,CHEMBL123882,Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1,YHHCQFOSZRZNQC,YHHCQFOSZRZNQC-UHFFFAOYSA-N,"InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3","""AuxInfo=1/0/N:17,18,1,4,3,5,28,30,27,31,7,16,2,29,26,6,24,25,15,23,12,9,13,32,14,22,21,10,19,11,8,20/E:(1,2)(7,8)(9,10)/rA:32CCCCCCCOCNNCCNCCCCNONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;s16;s16;d15;s13s19;d12;s21;s11d22;s23;s9d24;s25;s26;s27;s24s28;s29;s26s30;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YHHVJSPIQUNXLI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3949122,CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,YHHVJSPIQUNXLI,YHHVJSPIQUNXLI-UHFFFAOYSA-N,"InChI=1S/C23H20FN3O3/c1-23(2)11-20(28)27(22(23)30)12-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(25)29)26-18(16)9-13/h3-10H,11-12H2,1-2H3,(H2,25,29)","""AuxInfo=1/1/N:1,3,10,15,20,16,19,11,28,21,4,8,9,14,17,12,13,27,22,5,23,29,2,18,24,26,7,6,25,30/E:(1,2)(4,5)(6,7)/rA:30CCCCCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s2s7;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-YHIXUZNVPSVRKH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3963813,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCCC24CC4)c3)cn1,YHIXUZNVPSVRKH,YHIXUZNVPSVRKH-UHFFFAOYSA-N,"InChI=1S/C22H25N5O/c1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(4-5-17(18)19)13-27-9-3-2-6-22(27)7-8-22/h4-5,10-12,14H,2-3,6-9,13H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,21,20,15,14,22,24,25,19,26,6,27,17,3,16,4,13,5,12,7,8,23,9,28,11,2,18,10/E:(7,8)/rA:28CNCCCCCCNONCCCCCCNCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s18s22;s23;s23s24;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-YHMNNARMHHMLIH_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3913712,Clc1cc(Nc2c3ncccc3n[nH]2)cnc1N1CCCC1,YHMNNARMHHMLIH,YHMNNARMHHMLIH-UHFFFAOYSA-N,"InChI=1S/C15H15ClN6/c16-11-8-10(9-18-15(11)22-6-1-2-7-22)19-14-13-12(20-21-14)4-3-5-17-13/h3-5,8-9H,1-2,6-7H2,(H2,19,20,21)","""AuxInfo=1/1/N:20,21,10,11,9,19,22,3,15,4,2,12,7,6,17,1,8,16,5,13,14,18/E:(1,2)(6,7)/rA:22ClCCCNCCNCCCCNNCNCNCCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-YHOHYMNVRUCLNQ_on_P31644_WT,High,ChEMBL30,CHEMBL3676529,Cc1c(COc2ccc(C(=O)NC3COCc4ccccc43)cn2)c(-c2ccccc2)no1,YHOHYMNVRUCLNQ,YHOHYMNVRUCLNQ-UHFFFAOYSA-N,"InChI=1S/C26H23N3O4/c1-17-22(25(29-33-17)18-7-3-2-4-8-18)15-32-24-12-11-19(13-27-24)26(30)28-23-16-31-14-20-9-5-6-10-21(20)23/h2-13,23H,14-16H2,1H3,(H,28,30)","""AuxInfo=1/1/N:1,29,28,30,19,20,27,31,18,21,8,7,23,16,4,14,2,26,9,17,22,3,13,6,25,10,24,12,32,11,15,5,33/E:(3,4)(7,8)/rA:33CCCCOCCCCCONCCOCCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;s20;s13s17d21;s9;s6d23;s3;s25;d26;s27;d28;s29;s26d30;d25;s2s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-YHVZOKPCJPRLSB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3914560,CCC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,YHVZOKPCJPRLSB,YHVZOKPCJPRLSB-UHFFFAOYSA-N,"InChI=1S/C24H22FN3O3/c1-3-24(2)12-21(29)28(23(24)31)13-14-4-9-17-18(15-5-7-16(25)8-6-15)11-20(22(26)30)27-19(17)10-14/h4-11H,3,12-13H2,1-2H3,(H2,26,30)","""AuxInfo=1/1/N:1,4,2,11,16,21,17,20,12,29,22,5,9,10,15,18,13,14,28,23,6,24,30,3,19,25,27,8,7,26,31/E:(5,6)(7,8)/rA:31CCCCCCONCCCCCCCCCCFCCCCCNONCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s3s8;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-YHZXFRGWTKYPKS_on_O00591_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_O14764_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P14867_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P18505_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P18507_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P28472_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P31644_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P34903_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P47869_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P47870_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P48169_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_P78334_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_Q16445_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YHZXFRGWTKYPKS_on_Q99928_WT,Low,ChEMBL30,CHEMBL90579,Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1,YHZXFRGWTKYPKS,YHZXFRGWTKYPKS-UHFFFAOYSA-N,"InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)","""AuxInfo=1/1/N:1,14,15,13,16,3,4,20,2,12,5,17,19,9,7,11,6,8,10,18/rA:20CCCCCNCNCONCCCCCCOCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;s11;d12;s13;d14;s15;s8s12d16;s7;s5s18;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YIAIDPCUWJMCJF_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205913;57881707,COc1ccc(-n2cnc3c(sc4c3c(NCCCO)ncn4)c2=O)cc1,YIAIDPCUWJMCJF,YIAIDPCUWJMCJF-UHFFFAOYSA-N,"InChI=1S/C18H17N5O3S/c1-26-12-5-3-11(4-6-12)23-10-22-14-13-16(19-7-2-8-24)20-9-21-17(13)27-15(14)18(23)25/h3-6,9-10,24H,2,7-8H2,1H3,(H,19,20,21)","""AuxInfo=1/1/N:1,18,5,26,4,27,17,19,22,8,6,3,14,10,11,15,13,24,16,21,23,9,7,20,25,2,12/E:(3,4)(5,6)/rA:27COCCCCNCNCCSCCCNCCCONCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;s19;d15;s21;s13d22;s7s11;d24;s6;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  7.920;  7.921,7.921,0.0,0.0,2.0,7.921,0.001
-YICPRNFRCVOHKV_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,54581861;CHEMBL1778865,COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1,YICPRNFRCVOHKV,YICPRNFRCVOHKV-UHFFFAOYSA-N,"InChI=1S/C16H18FN3O/c1-21-16-6-12(17)4-5-14(16)15-10-19-9-13(20-15)8-18-7-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3","""AuxInfo=1/0/N:1,19,20,7,8,4,17,15,13,11,18,5,14,9,10,3,6,16,12,21,2/E:(2,3)/rA:21COCCCFCCCCCNCCCNCCCCN/rB:s1;s2;d3;s4;s5;d5;s7;s3d8;s9;d10;s11;d12;s13;s14;s15;s16;s17;s18;s18s19;s10d14;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:598080;CHEMBL1781194,PMID:21524576,2011.0,PubChemAID:598080;PMID:21524576,2012;2011,0;1,0,0,0,1;0,,=,  6.294;  6.290,6.292000000000001,0.002,0.002,2.0,6.292000000000001,0.002
-YICWHQNQWIQUMG_on_P14867_WT,Low,ChEMBL30,CHEMBL198358,N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1,YICWHQNQWIQUMG,YICWHQNQWIQUMG-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H","""AuxInfo=1/0/N:13,12,14,11,15,4,20,5,19,8,2,18,3,6,10,7,9,1,17,16/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCCCCCCCCCCCCNNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-YICWHQNQWIQUMG_on_P18507_WT,Low,ChEMBL30,CHEMBL198358,N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1,YICWHQNQWIQUMG,YICWHQNQWIQUMG-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H","""AuxInfo=1/0/N:13,12,14,11,15,4,20,5,19,8,2,18,3,6,10,7,9,1,17,16/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCCCCCCCCCCCCNNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL882867;CHEMBL882866;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.090;  7.570;  7.250,7.303,0.2,0.141,3.0,7.25,0.16
-YICWHQNQWIQUMG_on_P28472_WT,Low,ChEMBL30,CHEMBL198358,N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1,YICWHQNQWIQUMG,YICWHQNQWIQUMG-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H","""AuxInfo=1/0/N:13,12,14,11,15,4,20,5,19,8,2,18,3,6,10,7,9,1,17,16/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCCCCCCCCCCCCNNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL882866;CHEMBL882867;CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.570;  7.090;  7.250,7.303,0.2,0.141,3.0,7.25,0.16
-YICWHQNQWIQUMG_on_P31644_WT,Low,ChEMBL30,CHEMBL198358,N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1,YICWHQNQWIQUMG,YICWHQNQWIQUMG-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H","""AuxInfo=1/0/N:13,12,14,11,15,4,20,5,19,8,2,18,3,6,10,7,9,1,17,16/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCCCCCCCCCCCCNNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YICWHQNQWIQUMG_on_P34903_WT,Low,ChEMBL30,CHEMBL198358,N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1,YICWHQNQWIQUMG,YICWHQNQWIQUMG-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-6-8-14(9-7-13)16-10-17(20-19-12-16)15-4-2-1-3-5-15/h1-10,12H","""AuxInfo=1/0/N:13,12,14,11,15,4,20,5,19,8,2,18,3,6,10,7,9,1,17,16/E:(2,3)(4,5)(6,7)(8,9)/rA:20NCCCCCCCCCCCCCCNNCCC/rB:t1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-YIDWDVLMCROUKN_on_P41594_WT,High,ChEMBL30,CHEMBL196674,C(#Cc1ncccc1)C1=CCC(NC2CCCC2)CC1,YIDWDVLMCROUKN,YIDWDVLMCROUKN-UHFFFAOYSA-N,"InChI=1S/C18H22N2/c1-2-7-17(6-1)20-18-12-9-15(10-13-18)8-11-16-5-3-4-14-19-16/h3-5,9,14,17-18,20H,1-2,6-7,10,12-13H2","""AuxInfo=1/0/N:16,17,7,6,8,15,18,1,10,20,2,11,19,5,9,3,14,12,4,13/E:(1,2)(6,7)/rA:20CCCNCCCCCCCCNCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s13;s14;s15;s16;s14s17;s12;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  6.010,6.01,0.0,0.0,1.0,6.01,0.0
-YIEVOONPHSENFN_on_P31644_WT,High,ChEMBL30,CHEMBL3681482,CC(=O)Nc1ccc(OCc2c(C)onc2-c2ccccc2)nc1,YIEVOONPHSENFN,YIEVOONPHSENFN-UHFFFAOYSA-N,"InChI=1S/C18H17N3O3/c1-12-16(18(21-24-12)14-6-4-3-5-7-14)11-23-17-9-8-15(10-19-17)20-13(2)22/h3-10H,11H2,1-2H3,(H,20,22)","""AuxInfo=1/1/N:13,1,20,19,21,18,22,6,7,24,10,12,2,17,5,11,8,16,23,4,15,3,9,14/E:(4,5)(6,7)/rA:24CCONCCCCOCCCCONCCCCCCCNC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s17d21;s8;s5d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.030,8.03,0.0,0.0,1.0,8.03,0.0
-YIEZCRQGKBKVOZ_on_P14867_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-YIEZCRQGKBKVOZ_on_P18507_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.870;  6.370;  5.540,6.593,0.9640000000000001,0.682,3.0,6.37,0.83
-YIEZCRQGKBKVOZ_on_P28472_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.370;  7.870;  5.540,6.593,0.9640000000000001,0.682,3.0,6.37,0.83
-YIEZCRQGKBKVOZ_on_P31644_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  5.540,5.54,0.0,0.0,1.0,5.54,0.0
-YIEZCRQGKBKVOZ_on_P47869_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YIEZCRQGKBKVOZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL175427,N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1,YIEZCRQGKBKVOZ,YIEZCRQGKBKVOZ-UHFFFAOYSA-N,"InChI=1S/C13H6N4S2/c14-6-18-8-1-2-11-9(3-8)10-4-13(19-7-15)16-5-12(10)17-11/h1-5,17H","""AuxInfo=1/0/N:9,8,5,13,19,2,16,4,6,12,7,11,14,1,17,18,10,3,15/rA:19NCSCCCCCCNCCCCSCNNC/rB:t1;s2;s3;d4;s5;d6;s7;s4d8;s7;s10;s6d11;s12;d13;s14;s15;t16;s14;s11d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.301,5.301,0.0,0.0,1.0,5.301,0.0
-YIGHPSGDRBAGJZ_on_Q13224_WT,High,ChEMBL30,CHEMBL247717,FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)ccc3)CN2)cc1,YIGHPSGDRBAGJZ,YIGHPSGDRBAGJZ-UHFFFAOYSA-N,"InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-11(8-12)14-9-21-15(22-14)10-4-6-13(7-5-10)23-16(18,19)20/h1-8,14H,9H2,(H,21,22)","""AuxInfo=1/1/N:18,19,17,8,22,7,23,14,20,9,13,15,6,12,10,2,16,1,3,4,21,11,5/E:(4,5)(6,7)(18,19,20)/rA:23FCFFOCCCCCNCCCCClCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;w?10;s11;s12;d13;s14;s15;d15;s17;s13d18;s12;s10s20;s9;s6d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL887786;CHEMBL887787,PMID:17498948,2007.0,PMID:17498948,2007,0;1,0,0,1;0,0,,=,  6.530;  5.700,6.115,0.415,0.415,2.0,6.115,0.415
-YIGPWWJHDOXRHC_on_P14867_WT,Low,ChEMBL30,CHEMBL295027,Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,YIGPWWJHDOXRHC,YIGPWWJHDOXRHC-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,24,23,10,15,11,14,19,20,25,7,22,3,2,18,9,12,8,6,17,16,5,27,13,21,29,26,28,4/E:(4,5)(6,7)/rA:29CCCSCCCCCCCCClCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677032,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-YIGPWWJHDOXRHC_on_P18507_WT,Low,ChEMBL30,CHEMBL295027,Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,YIGPWWJHDOXRHC,YIGPWWJHDOXRHC-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,24,23,10,15,11,14,19,20,25,7,22,3,2,18,9,12,8,6,17,16,5,27,13,21,29,26,28,4/E:(4,5)(6,7)/rA:29CCCSCCCCCCCCClCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL677032;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.700;  9.400,9.55,0.15,0.15,2.0,9.55,0.15
-YIGPWWJHDOXRHC_on_P28472_WT,Low,ChEMBL30,CHEMBL295027,Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,YIGPWWJHDOXRHC,YIGPWWJHDOXRHC-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,24,23,10,15,11,14,19,20,25,7,22,3,2,18,9,12,8,6,17,16,5,27,13,21,29,26,28,4/E:(4,5)(6,7)/rA:29CCCSCCCCCCCCClCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677032;CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.700;  9.400,9.55,0.15,0.15,2.0,9.55,0.15
-YIGPWWJHDOXRHC_on_P34903_WT,Low,ChEMBL30,CHEMBL295027,Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1,YIGPWWJHDOXRHC,YIGPWWJHDOXRHC-UHFFFAOYSA-N,"InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3","""AuxInfo=1/0/N:1,24,23,10,15,11,14,19,20,25,7,22,3,2,18,9,12,8,6,17,16,5,27,13,21,29,26,28,4/E:(4,5)(6,7)/rA:29CCCSCCCCCCCCClCCCCCCCNCCCCNCON/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;d17;s18;d19;s20;s17d21;s18;s23;s24;s16s25;s6s26;d27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680430,PMID:15026049,2004.0,PMID:15026049,2004,0,0,0,1,0,,=,  9.400,9.4,0.0,0.0,1.0,9.4,0.0
-YIIKQLCKNDAHHQ_on_P14867_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-YIIKQLCKNDAHHQ_on_P18507_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058329;CHEMBL3058328;CHEMBL3058332;CHEMBL3058330;CHEMBL3058327;CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.580;  8.620;  7.300;  7.580;  7.240;  7.460,7.63,0.461,0.20600000000000002,6.0,7.52,0.14
-YIIKQLCKNDAHHQ_on_P28472_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058328;CHEMBL3058327;CHEMBL3058329;CHEMBL3058330;CHEMBL3058331;CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.620;  7.240;  7.580;  7.580;  7.460;  7.300,7.63,0.461,0.20600000000000002,6.0,7.52,0.14
-YIIKQLCKNDAHHQ_on_P31644_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-YIIKQLCKNDAHHQ_on_P34903_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-YIIKQLCKNDAHHQ_on_P47869_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-YIIKQLCKNDAHHQ_on_P48169_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-YIIKQLCKNDAHHQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261919,C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21,YIIKQLCKNDAHHQ,YIIKQLCKNDAHHQ-UHFFFAOYSA-N,"InChI=1S/C21H23N3O3/c1-5-13-8-9-15-14(11-13)19(25)23-10-6-7-16(23)18-17(22-12-24(15)18)20(26)27-21(2,3)4/h5,8-9,11-12,16H,1,6-7,10H2,2-4H3","""AuxInfo=1/0/N:1,22,23,24,2,13,14,4,5,12,8,26,3,7,6,15,17,16,9,18,21,25,11,27,10,19,20/E:(2,3,4)/rA:27CCCCCCCCCONCCCCCCCOOCCCCNCN/rB:d1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;d18;s18;s20;s21;s21;s21;s17;d25;s6s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-YIJJCOANLBAJTF_on_Q14416_WT,Low,ChEMBL30,CHEMBL1289658,NC(Cc1cn(C(Cc2ccccc2)C(=O)O)nn1)C(=O)O,YIJJCOANLBAJTF,YIJJCOANLBAJTF-UHFFFAOYSA-N,"InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-18(17-16-10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:12,11,13,10,14,8,3,5,9,4,2,7,20,15,1,19,18,6,21,22,16,17/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCCCNCCCCCCCCCOONNCOO/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;d15;s15;s6;s4d18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1292356,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YIJJCOANLBAJTF_on_Q14833_WT,Low,ChEMBL30,CHEMBL1289658,NC(Cc1cn(C(Cc2ccccc2)C(=O)O)nn1)C(=O)O,YIJJCOANLBAJTF,YIJJCOANLBAJTF-UHFFFAOYSA-N,"InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-18(17-16-10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)","""AuxInfo=1/1/N:12,11,13,10,14,8,3,5,9,4,2,7,20,15,1,19,18,6,21,22,16,17/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCCCNCCCCCCCCCOONNCOO/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;s12;s9d13;s7;d15;s15;s6;s4d18;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1292357,PMID:21036612,2010.0,PMID:21036612,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YIKXBWQRHOAYSJ_on_Q05586_WT,High,ChEMBL30,CHEMBL248446,CCc1c(Cl)c(N(CCCOC)S(C)(=O)=O)c2nc(O)c(O)nc2c1,YIKXBWQRHOAYSJ,YIKXBWQRHOAYSJ-UHFFFAOYSA-N,"InChI=1S/C15H20ClN3O5S/c1-4-9-8-10-12(18-15(21)14(20)17-10)13(11(9)16)19(25(3,22)23)6-5-7-24-2/h8H,4-7H2,1-3H3,(H,17,20)(H,18,21)","""AuxInfo=1/1/N:1,12,14,2,9,8,10,25,3,24,4,17,6,21,19,5,23,18,7,22,20,15,16,11,13/E:(22,23)/CRV:25.6/rA:25CCCCClCNCCCOCSCOOCNCOCONCC/rB:s1;s2;d3;s4;s4;s6;s7;s8;s9;s10;s11;s7;s13;d13;d13;d6;s17;d18;s19;s19;s21;d21;s17s23;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-YINBZIQMPAZHMF_on_P14867_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-YINBZIQMPAZHMF_on_P18507_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682708;CHEMBL677847;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.750;  7.110;  7.040,6.9670000000000005,0.156,0.11,3.0,7.04,0.07
-YINBZIQMPAZHMF_on_P28472_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682708;CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.750;  7.040,6.895,0.145,0.145,2.0,6.895,0.145
-YINBZIQMPAZHMF_on_P34903_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680431,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.040,7.04,0.0,0.0,1.0,7.04,0.0
-YINBZIQMPAZHMF_on_P47869_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682708,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-YINBZIQMPAZHMF_on_P47870_WT,Low,ChEMBL30,CHEMBL282740,O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12,YINBZIQMPAZHMF,YINBZIQMPAZHMF-UHFFFAOYSA-N,"InChI=1S/C23H22N2O4/c26-21(19-13-24-20-11-5-4-10-18(19)20)22(27)25-12-6-9-17(14-25)23(28)29-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,24H,6,9,12,14-15H2","""AuxInfo=1/0/N:17,16,18,27,26,7,15,19,8,28,25,6,22,20,13,14,9,29,21,24,2,3,10,23,5,1,4,11,12/E:(2,3)(7,8)/rA:29OCCONCCCCCOOCCCCCCCCCCNCCCCCC/rB:d1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s5s9;s2;d21;s22;s23;d24;s25;d26;s27;s21s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL677847,PMID:10890169,2000.0,PMID:10890169,2000,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-YIOWPTZTCBFBHZ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110721,COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)(F)F,YIOWPTZTCBFBHZ,YIOWPTZTCBFBHZ-UHFFFAOYSA-N,"InChI=1S/C22H21F4N3O3/c1-13-9-14(5-7-27-13)20-17-6-8-31-16(11-23)12-29(17)21(28-20)15-3-4-18(19(10-15)30-2)32-22(24,25)26/h3-5,7,9-10,16H,6,8,11-12H2,1-2H3","""AuxInfo=1/0/N:14,1,25,26,10,17,11,18,15,4,21,23,13,9,5,20,16,27,3,8,6,29,22,30,31,32,12,7,24,2,19,28/E:(24,25,26)/rA:32COCCCCNCCCCNCCCCCCOCCFCNCCCOCFFF/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s17;s18;s19;s20;s21;s20;s6s16s23;d5;s25;s3d26;s27;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  8.420,8.42,0.0,0.0,1.0,8.42,0.0
-YIPXEQDLFGBASS_on_P14867_WT,Low,ChEMBL30,CHEMBL198509,N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,YIPXEQDLFGBASS,YIPXEQDLFGBASS-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:12,11,13,19,20,10,14,18,4,7,2,17,3,9,5,6,8,1,16,15/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL872167;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,1;0,0,0;1,0,,=,  8.530;  8.150,8.34,0.19,0.19,2.0,8.34,0.19
-YIPXEQDLFGBASS_on_P18507_WT,Low,ChEMBL30,CHEMBL198509,N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,YIPXEQDLFGBASS,YIPXEQDLFGBASS-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:12,11,13,19,20,10,14,18,4,7,2,17,3,9,5,6,8,1,16,15/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883659;CHEMBL872168;CHEMBL872167;CHEMBL882867;CHEMBL872166;CHEMBL882866,PMID:16162003,2005.0,PMID:16162003,2005,0,0;1;1;0;1;0,0,1;0;0;1;0;1,0,,=,  8.280;  8.020;  8.530;  7.850;  8.130;  8.150,8.16,0.21100000000000002,0.095,6.0,8.14,0.13
-YIPXEQDLFGBASS_on_P28472_WT,Low,ChEMBL30,CHEMBL198509,N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,YIPXEQDLFGBASS,YIPXEQDLFGBASS-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:12,11,13,19,20,10,14,18,4,7,2,17,3,9,5,6,8,1,16,15/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL872167;CHEMBL872168;CHEMBL883659;CHEMBL882866;CHEMBL872166;CHEMBL882867,PMID:16162003,2005.0,PMID:16162003,2005,0,1;1;0;0;1;0,0,0;0;1;1;0;1,0,,=,  8.530;  8.020;  8.280;  8.150;  8.130;  7.850,8.16,0.21100000000000002,0.095,6.0,8.14,0.13
-YIPXEQDLFGBASS_on_P31644_WT,Low,ChEMBL30,CHEMBL198509,N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,YIPXEQDLFGBASS,YIPXEQDLFGBASS-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:12,11,13,19,20,10,14,18,4,7,2,17,3,9,5,6,8,1,16,15/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883659;CHEMBL872166,PMID:16162003,2005.0,PMID:16162003,2005,0,0;1,0,1;0,0,,=,  8.280;  8.130,8.205,0.075,0.075,2.0,8.205,0.075
-YIPXEQDLFGBASS_on_P34903_WT,Low,ChEMBL30,CHEMBL198509,N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1,YIPXEQDLFGBASS,YIPXEQDLFGBASS-UHFFFAOYSA-N,"InChI=1S/C17H11N3/c18-11-13-5-4-8-15(9-13)16-10-17(20-19-12-16)14-6-2-1-3-7-14/h1-10,12H","""AuxInfo=1/0/N:12,11,13,19,20,10,14,18,4,7,2,17,3,9,5,6,8,1,16,15/E:(2,3)(6,7)/rA:20NCCCCCCCCCCCCCNNCCCC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s15;s6d16;d5;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL882867;CHEMBL872168,PMID:16162003,2005.0,PMID:16162003,2005,0,0;1,0,1;0,0,,=,  7.850;  8.020,7.935,0.085,0.085,2.0,7.935,0.085
-YISYTKMEACCBNN_on_Q13255_WT,Low,ChEMBL30,CHEMBL3758617;CHEMBL3759973;CHEMBL3758617;CHEMBL3759973,CN1CCCC1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1,YISYTKMEACCBNN,YISYTKMEACCBNN-UHFFFAOYSA-N,"InChI=1S/C20H18ClN3O3/c1-23-10-4-7-17(23)18(25)22-12-8-9-16(15(21)11-12)24-19(26)13-5-2-3-6-14(13)20(24)27/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,21,4,19,22,5,11,12,3,27,10,18,17,25,13,6,7,23,15,26,9,2,14,8,24,16/E:(2,3)(5,6)(13,14)(19,20)(26,27)/rA:27CNCCCCCONCCCCNCOCCCCCCCOCClC/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;d15;s15;d17;s18;d19;s20;s17d21;s14s18;d23;s13;s25;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<;>,  5.000;  5.000;  5.000;  5.000,5.0,0.0,0.0,4.0,5.0,0.0
-YIVMEYZFMUFIQM_on_Q13255_WT,Low,ChEMBL30,CHEMBL3628091,O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]cn1,YIVMEYZFMUFIQM,YIVMEYZFMUFIQM-UHFFFAOYSA-N,"InChI=1S/C18H11ClN4O3/c19-13-7-10(22-16(24)14-8-20-9-21-14)5-6-15(13)23-17(25)11-3-1-2-4-12(11)18(23)26/h1-9H,(H,20,21)(H,22,24)","""AuxInfo=1/1/N:14,15,13,16,5,6,21,23,25,4,12,11,19,22,7,2,17,9,20,24,26,3,8,1,18,10/E:(1,2)(3,4)(11,12)(17,18)(25,26)/rA:26OCNCCCCNCOCCCCCCCOCClCCCNCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s8s12;d17;s7;s19;s4d19;s2;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3631169,PMID:26426481,2015.0,PMID:26426481,2015,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-YIVVFSSKIBBKSL_on_P41594_WT,High,ChEMBL30,CHEMBL2071580,O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1,YIVVFSSKIBBKSL,YIVVFSSKIBBKSL-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2/c19-14-6-8-15(9-7-14)22-11-13(10-16(22)23)18-20-17(21-24-18)12-4-2-1-3-5-12/h1-9,13H,10-11H2","""AuxInfo=1/0/N:11,10,12,9,13,20,23,19,24,3,16,8,4,21,18,2,7,5,22,6,14,17,1,15/E:(2,3)(4,5)(6,7)(8,9)/rA:24OCCCCNCCCCCCCNOCNCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s4;s2s16;s17;d18;s19;d20;s21;s21;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-YIXIXHNFJBGDOA_on_P41594_WT,High,ChEMBL30,CHEMBL2338576,O=C(NC1CCCC(NC(=O)C2CCCCC2)C1)c1cc(Cl)ccc1,YIXIXHNFJBGDOA,YIXIXHNFJBGDOA-UHFFFAOYSA-N,"InChI=1S/C20H27ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h4,8-9,12,14,17-18H,1-3,5-7,10-11,13H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:15,14,16,24,6,13,17,25,23,7,5,20,18,12,19,21,8,4,10,2,22,9,3,11,1/E:(2,3)(6,7)/rA:25OCNCCCCCNCOCCCCCCCCCCClCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s4s8;s2;d19;s20;s21;d21;s23;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1,0,0,0,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-YIXMNFXBDHAPIU_on_P41594_WT,Low,ChEMBL30,CHEMBL493777,Cc1nc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)ccc1,YIXMNFXBDHAPIU,YIXMNFXBDHAPIU-UHFFFAOYSA-N,"InChI=1S/C20H16N2O3/c1-14-6-5-9-18(21-14)22-19(23)15-10-12-17(13-11-15)25-20(24)16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,18,17,19,24,25,16,20,23,9,22,10,21,2,8,15,11,4,6,13,3,5,7,14,12/E:(3,4)(7,8)(10,11)(12,13)/rA:25CCNCNCOCCCCOCOCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s8d21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YIYGCTCVGWGWEB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3971388,Cc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)cc1,YIYGCTCVGWGWEB,YIYGCTCVGWGWEB-UHFFFAOYSA-N,"InChI=1S/C22H19N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h2-7,10-11H,8-9,12H2,1H3,(H2,23,28)","""AuxInfo=1/1/N:1,3,28,16,4,27,15,22,23,26,7,18,2,17,5,14,6,13,8,20,24,9,10,12,19,21,25,11/E:(2,3)(5,6)(8,9)(20,21)(26,27)/rA:28CCCCCCCCCNONCCCCCCNCOCCCOCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;d9;d8;s12;s6d13;s14;d15;s16;s17;s18;s19;d20;s20;s22;s19s23;d24;s13d17;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YIYNWRFBXBXDPW_on_Q14416_WT,High,ChEMBL30,CHEMBL187398,CCCc1c2ncn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1,YIYNWRFBXBXDPW,YIYNWRFBXBXDPW-UHFFFAOYSA-N,"InChI=1S/C26H34N6O2/c1-5-8-21-23(14-13-22-24(21)27-18-32(22)17-26(2,3)4)34-16-7-6-15-33-20-11-9-19(10-12-20)25-28-30-31-29-25/h9-14,18H,5-8,15-17H2,1-4H3,(H,28,29,30,31)","""AuxInfo=1/1/N:1,11,12,13,2,21,20,3,26,33,25,34,15,16,22,19,9,7,27,24,4,14,17,5,28,10,6,29,32,30,31,8,23,18/E:(2,3,4)(9,10)(11,12)(28,29)(30,31)/rA:34CCCCCNCNCCCCCCCCCOCCCCOCCCCCNNNNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s10;s10;s5s8;d14;s15;s4d16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;d28;s29;s30;s28d31;s27;s24d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829010,PMID:16005222,2005.0,PMID:16005222,2005,0,1,0,0,0,,=,  5.200,5.2,0.0,0.0,1.0,5.2,0.0
-YJAILWGTJCSUIS_on_Q14416_WT,Low,ChEMBL30,CHEMBL484339,CC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1,YJAILWGTJCSUIS,YJAILWGTJCSUIS-UHFFFAOYSA-N,"InChI=1S/C16H21NO4/c1-12-10-17(16(18)20-12)11-13-2-4-14(5-3-13)21-15-6-8-19-9-7-15/h2-5,12,15H,6-11H2,1H3","""AuxInfo=1/0/N:1,7,18,8,17,12,16,13,15,3,5,2,6,9,11,19,4,20,14,21,10/E:(2,3)(4,5)(6,7)(8,9)/rA:21CCCNCCCCCOCCCOCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s11s15;s9;s6d17;s4;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL983950,PMID:19328692,2009.0,PMID:19328692,2009,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YJCANOFPNOMLGW_on_P31644_WT,High,ChEMBL30,CHEMBL3676516,Cc1cc(C(=O)NC2CCOCC2)cnc1OCc1c(C)onc1-c1ccccc1,YJCANOFPNOMLGW,YJCANOFPNOMLGW-UHFFFAOYSA-N,"InChI=1S/C23H25N3O4/c1-15-12-18(22(27)25-19-8-10-28-11-9-19)13-24-23(15)29-14-20-16(2)30-26-21(20)17-6-4-3-5-7-17/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,25,27)","""AuxInfo=1/1/N:1,21,28,27,29,26,30,9,13,10,12,3,14,18,2,20,25,4,8,19,24,5,16,15,7,23,6,11,17,22/E:(4,5)(6,7)(8,9)(10,11)/rA:30CCCCCONCCCOCCCNCOCCCCONCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s8s12;d4;s14;s2d15;s16;s17;s18;d19;s20;s20;s22;s19d23;s24;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-YJDKUBSILCELNV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4113943,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CC4)c3)n2)cc(C)n1,YJDKUBSILCELNV,YJDKUBSILCELNV-UHFFFAOYSA-N,"InChI=1S/C26H31N3O2/c1-16-5-8-21(13-24(16)31-15-20-6-7-20)26-28-25(22-11-17(2)27-18(3)12-22)23-9-10-30-19(4)14-29(23)26/h5,8,11-13,19-20H,6-7,9-10,14-15H2,1-4H3","""AuxInfo=1/0/N:19,1,30,11,17,24,25,16,7,8,3,28,26,12,22,18,2,29,10,23,15,4,6,20,5,14,31,27,13,9,21/E:(2,3)(6,7)(11,12)(17,18)/rA:31CCCCCCCCOCCCNCCCCCCCOCCCCCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s21;s22;s23;s23s24;s15d20;s5d14;d4;s28;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-YJDYWHHWVYFFJS_on_P41594_WT,Medium,ChEMBL30,CHEMBL1684233,O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCN1CCOCC1,YJDYWHHWVYFFJS,YJDYWHHWVYFFJS-UHFFFAOYSA-N,"InChI=1S/C22H20N2O3/c25-21-19-9-8-18(7-6-17-4-2-1-3-5-17)16-20(19)22(26)24(21)11-10-23-12-14-27-15-13-23/h1-5,8-9,16H,10-15H2","""AuxInfo=1/0/N:12,11,13,10,14,8,7,15,16,21,20,23,27,24,26,5,9,6,3,4,2,17,22,19,1,18,25/E:(2,3)(4,5)(12,13)(14,15)/rA:27OCCCCCCCCCCCCCCCCONCCNCCOCC/rB:d1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s9d13;s6;s3d15;s4;d17;s2s17;s19;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1687117,PMID:21315585,2011.0,PMID:21315585,2011,0,1,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-YJFHAOPLHAPAEF_on_Q14833_WT,High,ChEMBL30,CHEMBL4097743,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OC1CN(c3cccnc3)C1)cc2,YJFHAOPLHAPAEF,YJFHAOPLHAPAEF-UHFFFAOYSA-N,"InChI=1S/C24H18N4O3S/c29-27-20-9-23(21-10-24-15(11-26-21)5-7-32-24)31-22-4-3-17(8-19(20)22)30-18-13-28(14-18)16-2-1-6-25-12-16/h1-12,18,29H,13-14H2","""AuxInfo=1/0/N:26,25,31,32,10,27,11,18,4,14,8,29,22,30,9,24,19,21,17,3,6,16,5,13,28,7,2,23,1,20,15,12/E:(13,14)/rA:32ONCCCCNCCCCSCCOCCCCOCCNCCCCNCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s21s23;s19;s16d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  8.400,8.4,0.0,0.0,1.0,8.4,0.0
-YJFLJYMIJYCUFM_on_P41594_WT,High,ChEMBL30,CHEMBL2022164,CN1CCC(=O)N=C1NC(=O)Nc1cccc(Br)c1,YJFLJYMIJYCUFM,YJFLJYMIJYCUFM-UHFFFAOYSA-N,"InChI=1S/C12H13BrN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-4,7H,5-6H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,15,16,14,4,3,19,17,13,5,8,10,18,12,7,9,2,6,11/rA:19CNCCCONCNCONCCCCCBrC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s17;s13d17;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2025194,PMID:22523618,2011.0,PMID:22523618,2011,1,0,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-YJGLEGKIKAJLCG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3951736,Cc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O,YJGLEGKIKAJLCG,YJGLEGKIKAJLCG-UHFFFAOYSA-N,"InChI=1S/C20H20FN3O/c1-14-10-16(9-8-15-6-5-7-17(21)11-15)12-22-18(14)24-13-20(2,3)23(4)19(24)25/h5-7,10-12H,13H2,1-4H3","""AuxInfo=1/0/N:1,20,21,23,9,8,10,6,5,3,13,14,18,2,7,4,11,16,24,19,12,15,22,17,25/E:(2,3)/rA:25CCCCCCCCCCCFCCNCNCCCCNCCO/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s7d11;d4;s14;s2d15;s16;s17;s18;s19;s19;s19;s22;s17s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  6.990,6.99,0.0,0.0,1.0,6.99,0.0
-YJHPKKIISQWKMR_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771691,O=C(c1ccc(F)cc1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,YJHPKKIISQWKMR,YJHPKKIISQWKMR-UHFFFAOYSA-N,"InChI=1S/C20H17F2N3O2/c21-15-9-7-13(8-10-15)20(26)25-11-2-1-6-17(25)19-23-18(24-27-19)14-4-3-5-16(22)12-14/h3-5,7-10,12,17H,1-2,6,11H2","""AuxInfo=1/0/N:13,12,21,20,22,14,4,9,5,8,11,25,3,19,6,23,15,18,16,2,7,24,17,26,10,1,27/E:(7,8)(9,10)/rA:27OCCCCCFCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s6;s3d8;s2;s10;s11;s12;s13;s10s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-YJJYVESVSULNDF_on_Q14416_WT,High,ChEMBL30,CHEMBL4076639;CHEMBL4104081;CHEMBL4104081;CHEMBL4076639;CHEMBL4104081;CHEMBL4076639,OC1CCC(Nc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1,YJJYVESVSULNDF,YJJYVESVSULNDF-UHFFFAOYSA-N,"InChI=1S/C23H24ClF3N4O/c24-18-12-14(3-8-19(18)28-15-4-6-16(32)7-5-15)17-9-10-31-20(11-13-1-2-13)29-30-22(31)21(17)23(25,26)27/h3,8-10,12-13,15-16,28,32H,1-2,4-7,11H2","""AuxInfo=1/0/N:24,25,29,4,31,3,32,30,28,27,22,10,23,11,5,2,12,8,7,21,13,18,14,9,15,16,17,6,20,19,26,1/E:(1,2)(4,5)(6,7)(25,26,27)/rA:32OCCCCNCCClCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s12d27;s11;s7d29;s5;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040507;CHEMBL4040507;CHEMBL4040508;CHEMBL4040510;CHEMBL4040510;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1;0;0;1,1;1;0;0;0;0,0;0;0;1;1;0,0,,=,  7.990;  8.520;  8.030;  8.030;  8.660;  7.380,8.102,0.414,0.185,6.0,8.03,0.265
-YJKSRWNNPFNRAH_on_O00591_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_O14764_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P14867_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P18505_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P18507_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P28472_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P31644_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P34903_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P47869_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P47870_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P48169_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_P78334_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_Q16445_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJKSRWNNPFNRAH_on_Q99928_WT,Low,ChEMBL30,CHEMBL301692,COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1,YJKSRWNNPFNRAH,YJKSRWNNPFNRAH-UHFFFAOYSA-N,"InChI=1S/C16H11ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3","""AuxInfo=1/0/N:1,5,19,14,4,20,13,17,8,6,15,3,11,9,12,7,16,10,2,18/E:(2,3)(5,6)/rA:20COCCCCCCCOCCCCCClCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s9;d11;s12;d13;s14;s15;s11d15;s7s12;s6;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.900,5.9,0.0,0.0,1.0,5.9,0.0
-YJMBMXMMKOPBLD_on_P31644_WT,High,ChEMBL30,CHEMBL3681423,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(Cl)cc2)no1,YJMBMXMMKOPBLD,YJMBMXMMKOPBLD-UHFFFAOYSA-N,"InChI=1S/C19H15ClF3N3O3/c1-11-15(17(26-29-11)12-2-5-14(20)6-3-12)9-28-16-7-4-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,22,27,8,23,26,7,18,4,13,2,21,9,24,3,6,20,10,14,25,15,16,17,19,12,28,11,5,29/E:(2,3)(5,6)(21,22,23)/rA:29CCCCOCCCCCONCCFFFCNCCCCCClCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-YJMONBKLGBFKEV_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70683531;CHEMBL2023631,c1ccc(-n2cc(-c3c4ccccc4n[nH]3)cn2)cc1,YJMONBKLGBFKEV,YJMONBKLGBFKEV-UHFFFAOYSA-N,"InChI=1S/C16H12N4/c1-2-6-13(7-3-1)20-11-12(10-17-20)16-14-8-4-5-9-15(14)18-19-16/h1-11H,(H,18,19)","""AuxInfo=1/1/N:1,2,20,11,12,3,19,10,13,17,6,7,4,9,14,8,18,15,16,5/E:(2,3)(6,7)/rA:20CCCCNCCCCCCCCCNNCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s7;s5d17;s4;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  5.620;  5.620,5.62,0.0,0.0,2.0,5.62,0.0
-YJOORSSCXKACPB_on_P41594_WT,High,ChEMBL30,CHEMBL3644388,CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,YJOORSSCXKACPB,YJOORSSCXKACPB-UHFFFAOYSA-N,"InChI=1S/C24H28N4O2/c1-24(2,3)21-14-27(15-26-21)22-12-19-17-6-4-7-18(20-8-5-11-30-20)16(17)9-10-28(19)23(29)13-25-22/h4,6-7,12,14-15,20H,5,8-11,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,24,18,20,23,15,14,25,28,10,6,29,16,17,21,27,22,5,8,11,2,9,30,7,13,12,26/E:(1,2,3)/rA:30CCCCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;s2;s2;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.290,6.29,0.0,0.0,1.0,6.29,0.0
-YJOORSSCXKACPB_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644388,CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,YJOORSSCXKACPB,YJOORSSCXKACPB-UHFFFAOYSA-N,"InChI=1S/C24H28N4O2/c1-24(2,3)21-14-27(15-26-21)22-12-19-17-6-4-7-18(20-8-5-11-30-20)16(17)9-10-28(19)23(29)13-25-22/h4,6-7,12,14-15,20H,5,8-11,13H2,1-3H3","""AuxInfo=1/0/N:1,3,4,19,24,18,20,23,15,14,25,28,10,6,29,16,17,21,27,22,5,8,11,2,9,30,7,13,12,26/E:(1,2,3)/rA:30CCCCCCNCNCCONCCCCCCCCCCCCOCCCN/rB:s1;s2;s2;s2;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s23;s24;s22s25;s13s17;s8w?27;s7;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YJQIERGTQRMSJC_on_P18507_WT,Low,ChEMBL30,CHEMBL364296,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(OC)cc2)n1,YJQIERGTQRMSJC,YJQIERGTQRMSJC-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,23,2,19,25,15,20,24,16,12,7,18,13,21,10,6,9,17,4,14,11,26,8,5,22,3/E:(4,5)(7,8)/rA:26CCOCOCCNCCClCCClCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s21;s18d24;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-YJQIERGTQRMSJC_on_P47869_WT,Low,ChEMBL30,CHEMBL364296,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(OC)cc2)n1,YJQIERGTQRMSJC,YJQIERGTQRMSJC-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,23,2,19,25,15,20,24,16,12,7,18,13,21,10,6,9,17,4,14,11,26,8,5,22,3/E:(4,5)(7,8)/rA:26CCOCOCCNCCClCCClCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s21;s18d24;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-YJQIERGTQRMSJC_on_P47870_WT,Low,ChEMBL30,CHEMBL364296,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(OC)cc2)n1,YJQIERGTQRMSJC,YJQIERGTQRMSJC-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,23,2,19,25,15,20,24,16,12,7,18,13,21,10,6,9,17,4,14,11,26,8,5,22,3/E:(4,5)(7,8)/rA:26CCOCOCCNCCClCCClCCCCCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s22;s21;s18d24;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-YJQPSUGEFJEJIN_on_P14867_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-YJQPSUGEFJEJIN_on_P18507_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL682252;CHEMBL681249;CHEMBL681637;CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.390;  8.180;  7.770;  6.480,7.705,0.742,0.428,4.0,7.975,0.31
-YJQPSUGEFJEJIN_on_P28472_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681249;CHEMBL681483;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.770;  8.180;  6.480;  8.390,7.705,0.742,0.428,4.0,7.975,0.31
-YJQPSUGEFJEJIN_on_P31644_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.480,6.48,0.0,0.0,1.0,6.48,0.0
-YJQPSUGEFJEJIN_on_P34903_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-YJQPSUGEFJEJIN_on_P47869_WT,Low,ChEMBL30,CHEMBL56098,COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1,YJQPSUGEFJEJIN,YJQPSUGEFJEJIN-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,14,13,26,10,24,22,6,9,3,7,19,8,20,17,12,11,21,15,18,2,25/E:(4,5)(6,7)/rA:28COCCCCCCCCNNCCNCCOCCNCCCSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-YJRAKWMPTOTBPI_on_P14867_WT,Low,ChEMBL30,CHEMBL3289473,O=C(C=CC=Cc1ccc2OCOc2c1)N(CC(F)(F)F)CC(F)(F)F,YJRAKWMPTOTBPI,YJRAKWMPTOTBPI-UHFFFAOYSA-N,"InChI=1S/C16H13F6NO3/c17-15(18,19)8-23(9-16(20,21)22)14(24)4-2-1-3-11-5-6-12-13(7-11)26-10-25-12/h1-7H,8-10H2","""AuxInfo=1/0/N:5,4,6,3,8,9,15,17,22,12,7,10,14,2,18,23,19,20,21,24,25,26,16,1,11,13/E:(8,9)(15,16)(17,18,19,20,21,22)/rA:26OCCCCCCCCCOCOCCNCCFFFCCFFF/rB:d1;s2;w?3;s4;w?5;s6;d7;s8;d9;s10;s11;s12;s10s13;s7d14;s2;s16;s17;s18;s18;s18;s16;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
-YJRAKWMPTOTBPI_on_P18507_WT,Low,ChEMBL30,CHEMBL3289473,O=C(C=CC=Cc1ccc2OCOc2c1)N(CC(F)(F)F)CC(F)(F)F,YJRAKWMPTOTBPI,YJRAKWMPTOTBPI-UHFFFAOYSA-N,"InChI=1S/C16H13F6NO3/c17-15(18,19)8-23(9-16(20,21)22)14(24)4-2-1-3-11-5-6-12-13(7-11)26-10-25-12/h1-7H,8-10H2","""AuxInfo=1/0/N:5,4,6,3,8,9,15,17,22,12,7,10,14,2,18,23,19,20,21,24,25,26,16,1,11,13/E:(8,9)(15,16)(17,18,19,20,21,22)/rA:26OCCCCCCCCCOCOCCNCCFFFCCFFF/rB:d1;s2;w?3;s4;w?5;s6;d7;s8;d9;s10;s11;s12;s10s13;s7d14;s2;s16;s17;s18;s18;s18;s16;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3297507,PMID:24905252,2014.0,PMID:24905252,2014,0,1,0,0,0,,=,  4.640,4.64,0.0,0.0,1.0,4.64,0.0
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-YJYRFBZSNPRHKU_on_Q16445_WT,Low,ChEMBL30,CHEMBL78759,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,YJYRFBZSNPRHKU,YJYRFBZSNPRHKU-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c17-9-11-1-4-16-15(7-11)19-10-20(16)13-2-3-14-12(8-13)5-6-18-14/h1-8,10,18H","""AuxInfo=1/0/N:4,17,16,5,20,19,8,13,2,10,3,14,12,15,7,6,1,18,9,11/rA:20NCCCCCCCNCNCCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-YJYRFBZSNPRHKU_on_Q99928_WT,Low,ChEMBL30,CHEMBL78759,N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2,YJYRFBZSNPRHKU,YJYRFBZSNPRHKU-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c17-9-11-1-4-16-15(7-11)19-10-20(16)13-2-3-14-12(8-13)5-6-18-14/h1-8,10,18H","""AuxInfo=1/0/N:4,17,16,5,20,19,8,13,2,10,3,14,12,15,7,6,1,18,9,11/rA:20NCCCCCCCNCNCCCCCCNCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s6s10;s11;d12;s13;d14;s15;s12d16;s15;s18;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-YJZJMJCIUWKBEK_on_P18507_WT,Low,ChEMBL30,CHEMBL192969,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(C)cc2)n1,YJZJMJCIUWKBEK,YJZJMJCIUWKBEK-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)16-11-23(17-9-8-14(20)10-15(17)21)18(22-16)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,22,2,20,23,19,24,15,16,12,7,21,18,13,10,6,9,17,4,14,11,25,8,5,3/E:(4,5)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YJZJMJCIUWKBEK_on_P47869_WT,Low,ChEMBL30,CHEMBL192969,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(C)cc2)n1,YJZJMJCIUWKBEK,YJZJMJCIUWKBEK-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)16-11-23(17-9-8-14(20)10-15(17)21)18(22-16)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,22,2,20,23,19,24,15,16,12,7,21,18,13,10,6,9,17,4,14,11,25,8,5,3/E:(4,5)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YJZJMJCIUWKBEK_on_P47870_WT,Low,ChEMBL30,CHEMBL192969,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(C)cc2)n1,YJZJMJCIUWKBEK,YJZJMJCIUWKBEK-UHFFFAOYSA-N,"InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)16-11-23(17-9-8-14(20)10-15(17)21)18(22-16)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3","""AuxInfo=1/0/N:1,22,2,20,23,19,24,15,16,12,7,21,18,13,10,6,9,17,4,14,11,25,8,5,3/E:(4,5)(6,7)/rA:25CCOCOCCNCCClCCClCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YJZXOHGTXJWCGV_on_P14867_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YJZXOHGTXJWCGV_on_P18507_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YJZXOHGTXJWCGV_on_P28472_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YJZXOHGTXJWCGV_on_P31644_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YJZXOHGTXJWCGV_on_P34903_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YJZXOHGTXJWCGV_on_P47869_WT,Low,ChEMBL30,CHEMBL360562,COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YJZXOHGTXJWCGV,YJZXOHGTXJWCGV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O2/c1-30-19-8-3-2-7-18(19)22-26-27-23-20-15-9-11-16(12-10-15)21(20)24(28-29(22)23)31-14-17-6-4-5-13-25-17/h2-8,13,15-16H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,29,30,18,17,19,28,31,24,26,23,27,16,13,25,22,14,4,3,9,10,5,8,11,15,6,7,20,21,2,12/E:(9,10)(11,12)/rA:31COCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;d28;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YKCCLIHUZFWERQ_on_P41594_WT,High,ChEMBL30,CHEMBL2069380,Cc1ccc(N2CC(c3nc(-c4cc(C(F)(F)F)ccc4)no3)CC2=O)cc1,YKCCLIHUZFWERQ,YKCCLIHUZFWERQ-UHFFFAOYSA-N,"InChI=1S/C20H16F3N3O2/c1-12-5-7-16(8-6-12)26-11-14(10-17(26)27)19-24-18(25-28-19)13-3-2-4-15(9-13)20(21,22)23/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,19,3,28,4,27,13,24,7,2,12,8,14,5,25,11,9,15,16,17,18,10,22,6,26,23/E:(5,6)(7,8)(21,22,23)/rA:28CCCCCNCCCNCCCCCFFFCCCNOCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;s14;s15;s15;s15;d14;s19;s12d20;d11;s9s22;s8;s6s24;d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.470,5.47,0.0,0.0,1.0,5.47,0.0
-YKCQLQAONFBECQ_on_P41594_WT,High,ChEMBL30,CHEMBL3702447,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccc1F)ccc3,YKCQLQAONFBECQ,YKCQLQAONFBECQ-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-20-6-8-26-11-19(20)16-2-1-3-18-17(16)7-9-30-22(18)10-23(27-12-24(30)31)29-13-21(28-14-29)15-4-5-15/h1-3,6,8,10-11,13-15H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,26,18,25,19,14,23,3,13,7,10,21,17,16,22,27,9,15,5,2,28,24,4,8,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCCNCCCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-YKCQLQAONFBECQ_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702447,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccc1F)ccc3,YKCQLQAONFBECQ,YKCQLQAONFBECQ-UHFFFAOYSA-N,"InChI=1S/C24H20FN5O/c25-20-6-8-26-11-19(20)16-2-1-3-18-17(16)7-9-30-22(18)10-23(27-12-24(30)31)29-13-21(28-14-29)15-4-5-15/h1-3,6,8,10-11,13-15H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,26,18,25,19,14,23,3,13,7,10,21,17,16,22,27,9,15,5,2,28,24,4,8,6,20,1/E:(4,5)/rA:31OCCNCNCNCCCCCCCCCCCNCCCNCCCFCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s22d26;s27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.230,5.23,0.0,0.0,1.0,5.23,0.0
-YKGBMWVKYXKDSY_on_P41594_WT,High,ChEMBL30,CHEMBL257312,Cc1cn2cc(C(=O)N3CC4CCC3C4)cc2c(C#Cc2cscc2)n1,YKGBMWVKYXKDSY,YKGBMWVKYXKDSY-UHFFFAOYSA-N,"InChI=1S/C21H19N3OS/c1-14-10-23-12-17(21(25)24-11-16-2-4-18(24)8-16)9-20(23)19(22-14)5-3-15-6-7-26-13-15/h6-7,9-10,12-13,16,18H,2,4,8,11H2,1H3","""AuxInfo=1/0/N:1,12,20,13,19,25,24,15,16,3,10,5,22,2,21,11,6,14,18,17,7,26,4,9,8,23/rA:26CCCNCCCONCCCCCCCCCCCCCSCCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s11s14;s6;s4d16;s17;s18;t19;s20;d21;s22;s23;s21d24;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.200,6.2,0.0,0.0,1.0,6.2,0.0
-YKGMNZGFJNNVSV_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209516,Nc1cc(C=Cc2ccccc2)nc(N)n1,YKGMNZGFJNNVSV,YKGMNZGFJNNVSV-UHFFFAOYSA-N,"InChI=1S/C12H12N4/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H4,13,14,15,16)","""AuxInfo=1/1/N:10,9,11,8,12,6,5,3,7,4,2,14,1,15,13,16/E:(2,3)(4,5)/rA:16NCCCCCCCCCCCNCNN/rB:s1;d2;s3;s4;w?5;s6;d7;s8;d9;s10;s7d11;d4;s13;s14;s2d14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-YKKWBLSUYZOORV_on_P14867_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.010,8.01,0.0,0.0,1.0,8.01,0.0
-YKKWBLSUYZOORV_on_P18507_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL830421;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680;  8.700;  9.340;  8.010,8.682,0.47,0.272,4.0,8.69,0.33
-YKKWBLSUYZOORV_on_P28472_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829006;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680;  8.010;  8.700;  9.340,8.682,0.47,0.272,4.0,8.69,0.33
-YKKWBLSUYZOORV_on_P31644_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.340,9.34,0.0,0.0,1.0,9.34,0.0
-YKKWBLSUYZOORV_on_P34903_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.680,8.68,0.0,0.0,1.0,8.68,0.0
-YKKWBLSUYZOORV_on_P47869_WT,Low,ChEMBL30,CHEMBL179474,Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,YKKWBLSUYZOORV,YKKWBLSUYZOORV-UHFFFAOYSA-N,"InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,4,3,15,19,27,29,26,30,5,8,2,28,25,14,7,23,24,13,22,10,6,20,21,11,12,9/E:(3,4)(7,8)(9,10)(11,12)/rA:30CCCCCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2d6;s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;s25;s26;s23s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-YKLFCQRBEGYLSF_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950346,Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ccccn1,YKLFCQRBEGYLSF,YKLFCQRBEGYLSF-UHFFFAOYSA-N,"InChI=1S/C17H12ClN5O/c18-12-10-11(6-7-14(12)24-15-5-1-2-8-19-15)21-17-16-13(22-23-17)4-3-9-20-16/h1-10H,(H2,21,22,23)","""AuxInfo=1/1/N:21,22,10,11,20,15,16,23,9,3,4,2,12,17,19,7,6,1,24,8,5,13,14,18/rA:24ClCCCNCCNCCCCNNCCCOCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.950,6.95,0.0,0.0,1.0,6.95,0.0
-YKMSTUDOGGAEJH_on_Q14416_WT,High,ChEMBL30,CHEMBL596271,Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2c1cccc2,YKMSTUDOGGAEJH,YKMSTUDOGGAEJH-UHFFFAOYSA-N,"InChI=1S/C19H21ClN4/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-10-12-24(13-11-23)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3","""AuxInfo=1/0/N:1,23,22,24,21,11,14,10,15,6,17,7,16,4,12,9,19,20,3,13,18,2,5,8/E:(6,7)(8,9)(10,11)(12,13)/rA:24CNCCNCCNCCCCClCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;s12;s9d14;s8;s5s16;d3;s18;s2d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-YKPJFMKSSAJEFH_on_P41594_WT,Medium,ChEMBL30,CHEMBL364982,Cc1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1,YKPJFMKSSAJEFH,YKPJFMKSSAJEFH-UHFFFAOYSA-N,"InChI=1S/C19H15N5/c1-14-6-4-7-15(12-14)16-8-5-9-17(13-16)24-22-19(21-23-24)18-10-2-3-11-20-18/h2-13H,1H3","""AuxInfo=1/0/N:1,20,19,4,9,3,5,8,10,21,18,24,23,2,6,7,11,16,15,17,14,22,13,12/rA:24CCCCCCCCCCCNNNCCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-YKROIMGVWWTHPL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL497917,Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,YKROIMGVWWTHPL,YKROIMGVWWTHPL-UHFFFAOYSA-N,"InChI=1S/C13H9ClFN5/c14-9-3-7(1-2-10(9)15)20-13-8-4-12(16)17-5-11(8)18-6-19-13/h1-6H,(H2,16,17)(H,18,19,20)","""AuxInfo=1/1/N:12,13,18,20,4,7,11,19,16,14,5,2,9,17,15,1,3,6,8,10/rA:20NCNCCNCNCNCCCCFCClCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;d11;s12;d13;s14;s14;s16;s11d16;s5s9;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL987724,PMID:19289283,2009.0,PMID:19289283,2009,1,0,0,0,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-YKSHENBJFIOPKN_on_Q05586_WT,Low,ChEMBL30,CHEMBL3799654,CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C#N)ccc3)cc(=O)n12,YKSHENBJFIOPKN,YKSHENBJFIOPKN-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-14(24)23(16)18)7-11-5-4-6-12(9-20)15(11)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)","""AuxInfo=1/1/N:1,8,2,21,22,20,13,23,18,7,14,17,12,24,15,6,4,10,16,19,3,11,26,25,5,9/rA:26CCNCOCCCSCNCCCCFCCNCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;s17;t18;d17;s20;s14d21;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-YKSHENBJFIOPKN_on_Q12879_WT,Low,ChEMBL30,CHEMBL3799654,CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C#N)ccc3)cc(=O)n12,YKSHENBJFIOPKN,YKSHENBJFIOPKN-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-14(24)23(16)18)7-11-5-4-6-12(9-20)15(11)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)","""AuxInfo=1/1/N:1,8,2,21,22,20,13,23,18,7,14,17,12,24,15,6,4,10,16,19,3,11,26,25,5,9/rA:26CCNCOCCCSCNCCCCFCCNCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;s17;t18;d17;s20;s14d21;d12;s23;d24;s6s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.040,5.04,0.0,0.0,1.0,5.04,0.0
-YKVBFMDDXCMYHI_on_P14867_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678330,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-YKVBFMDDXCMYHI_on_P18507_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681249;CHEMBL678330;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.120;  6.170;  7.140,6.81,0.45299999999999996,0.32,3.0,7.12,0.02
-YKVBFMDDXCMYHI_on_P28472_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682252;CHEMBL681249;CHEMBL678330,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.140;  7.120;  6.170,6.81,0.45299999999999996,0.32,3.0,7.12,0.02
-YKVBFMDDXCMYHI_on_P31644_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-YKVBFMDDXCMYHI_on_P34903_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-YKVBFMDDXCMYHI_on_P47869_WT,Low,ChEMBL30,CHEMBL291335,COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O,YKVBFMDDXCMYHI,YKVBFMDDXCMYHI-UHFFFAOYSA-N,"InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3","""AuxInfo=1/0/N:24,13,1,21,22,9,15,10,14,20,6,18,8,17,11,7,5,16,25,3,19,23,26,4,12,2/E:(6,7)(8,9)/rA:26COCOCCCCCCCOCCCCCCNCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s12;s11;s8d14;d7;s16;d17;s18;d19;s20;s17d21;s16;s23;s5s23;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.120,7.12,0.0,0.0,1.0,7.12,0.0
-YKYOQIXTECBVBB_on_P14867_WT,High,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403718;CHEMBL2327952,PMID:9767648,1998.0,PMID:31738537;PMID:23121096,2020;2013,0,0,0,1,0,,=,  7.770;  7.310,7.54,0.23,0.23,2.0,7.54,0.23
-YKYOQIXTECBVBB_on_P18507_WT,Low,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL682709;CHEMBL3058332;CHEMBL3058331;CHEMBL3058327;CHEMBL3058328;CHEMBL3058330;CHEMBL823916;CHEMBL678745;CHEMBL676826;CHEMBL678741;CHEMBL681841;CHEMBL681480;CHEMBL677846;CHEMBL678746;CHEMBL682646;CHEMBL682251;CHEMBL683047;CHEMBL822165;CHEMBL676827;CHEMBL681248;CHEMBL685338;CHEMBL824296;CHEMBL678329;CHEMBL680669;CHEMBL677034;CHEMBL680432,PMID:9767648,1998.0,PMID:10633039;PMID:15214791;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:15027873;PMID:15027873;PMID:15027873;PMID:15027873;PMID:10633039;PMID:14667209;PMID:14667209;PMID:14667209;PMID:10633039;PMID:9767648;PMID:9767648;PMID:14667209;PMID:10633039;PMID:9767648;PMID:9767648;PMID:10633039;PMID:15214791;PMID:15214791;PMID:15214791,2000;2004;2004;2004;2004;2004;2004;1998;2004;2004;2004;2004;2000;2003;2003;2003;2000;1998;1998;2003;2000;1998;1998;2000;2004;2004;2004,0,0,0,1,0,,=,  7.080;  7.650;  7.310;  7.560;  7.080;  9.350;  7.610;  7.560;  9.400;  7.360;  7.960;  7.660;  9.350;  7.080;  9.350;  7.560;  7.610;  7.080;  7.310;  7.310;  7.560;  9.350;  7.560;  7.310;  9.350;  7.310;  7.610,7.862,0.826,0.162,27.0,7.56,0.25
-YKYOQIXTECBVBB_on_P28472_WT,Low,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058332;CHEMBL678741;CHEMBL677846;CHEMBL683047;CHEMBL678746;CHEMBL680432;CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL823916;CHEMBL3058331;CHEMBL3058327;CHEMBL3058330;CHEMBL3058328;CHEMBL824296;CHEMBL681248;CHEMBL677034;CHEMBL680669;CHEMBL676827;CHEMBL682251;CHEMBL685338;CHEMBL681480;CHEMBL682646;CHEMBL683045;CHEMBL682709;CHEMBL678329;CHEMBL822165,PMID:9767648,1998.0,DOI:10.1007/s00044-004-0033-7;PMID:15027873;PMID:14667209;PMID:9767648;PMID:14667209;PMID:15214791;PMID:15027873;PMID:15027873;PMID:15027873;PMID:9767648;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;DOI:10.1007/s00044-004-0033-7;PMID:9767648;PMID:10633039;PMID:15214791;PMID:15214791;PMID:14667209;PMID:10633039;PMID:9767648;PMID:10633039;PMID:14667209;PMID:10633039;PMID:15214791;PMID:10633039;PMID:9767648,2004;2004;2003;1998;2003;2004;2004;2004;2004;1998;2004;2004;2004;2004;1998;2000;2004;2004;2003;2000;1998;2000;2003;2000;2004;2000;1998,0,0,0,1,0,,=,  7.310;  7.960;  7.080;  7.080;  9.350;  7.610;  9.400;  7.360;  7.660;  7.560;  7.560;  7.080;  7.610;  9.350;  7.560;  7.560;  7.310;  9.350;  7.310;  7.610;  9.350;  9.350;  7.560;  7.080;  7.650;  7.310;  7.310,7.862,0.826,0.162,27.0,7.56,0.25
-YKYOQIXTECBVBB_on_P31644_WT,High,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL2327954,PMID:9767648,1998.0,PMID:23121096,2013,0,0,0,1,0,,=,  9.350,9.35,0.0,0.0,1.0,9.35,0.0
-YKYOQIXTECBVBB_on_P34903_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,5311203;CHEMBL52030;CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,PubChemAID:726246;CHEMBL4403719;CHEMBL2327956,PMID:9767648,1998.0,PubChemAID:726246;PMID:31738537;PMID:23121096,2013;2020;2013,0,0,0,0;1;1,1;0;0,,=,  7.602;  7.770;  7.600,7.657,0.08,0.055999999999999994,3.0,7.602,0.002
-YKYOQIXTECBVBB_on_P47869_WT,High,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717;CHEMBL2327955,PMID:9767648,1998.0,PMID:31738537;PMID:23121096,2020;2013,0,0,0,1,0,,=,  7.770;  7.570,7.67,0.1,0.1,2.0,7.67,0.1
-YKYOQIXTECBVBB_on_Q16445_WT,Low,ChEMBL30,CHEMBL52030,CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1,YKYOQIXTECBVBB,YKYOQIXTECBVBB-UHFFFAOYSA-N,"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3","""AuxInfo=1/0/N:1,21,2,10,9,18,17,11,22,24,19,15,16,8,6,7,13,4,25,12,23,14,5,20,3/rA:25CCOCOCCCCCCNCOCCCCCOCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;s8s11;s12;d13;s13;d15;s16;d17;s18;s19;s20;s15d19;s7s16;s23;s6d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683047;CHEMBL677846;CHEMBL3058327;CHEMBL683045,PMID:9767648,1998.0,PMID:9767648;PMID:14667209;DOI:10.1007/s00044-004-0033-7;PMID:10633039,1998;2003;2004;2000,0,0,0,1,0,,=,  7.080;  7.080;  7.080;  7.080,7.08,0.0,0.0,4.0,7.08,0.0
-YKZGDSZUQGZIEZ_on_Q05586_WT,Medium,ChEMBL30,CHEMBL163865,CC1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12,YKZGDSZUQGZIEZ,YKZGDSZUQGZIEZ-UHFFFAOYSA-N,"InChI=1S/C20H15Cl2N3O4/c1-10-18(26)25(12-5-3-2-4-6-12)20(29)24(10)9-13-16-14(22)7-11(21)8-15(16)23-17(13)19(27)28/h2-8,10,23H,9H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,9,8,10,7,11,26,23,15,2,24,6,16,27,22,29,17,3,18,12,25,28,21,14,5,4,19,20,13/E:(3,4)(5,6)(27,28)/rA:29CCCONCCCCCCCONCCCCOONCCCClCCClC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;s6d10;s5;d12;s2s12;s14;s15;d16;s17;d18;s18;s17;s21;d22;s23;s24;d24;s26;s27;s16s22d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752321,PMID:12502360,2003.0,PMID:12502360,2003,0,0,0,1,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-YLAUVZCWSMNZAX_on_P31644_WT,High,ChEMBL30,CHEMBL3681630;CHEMBL3681631,CC(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,YLAUVZCWSMNZAX,YLAUVZCWSMNZAX-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O4/c1-12(9-24)22-19(25)14-4-7-17(21-8-14)26-10-15-11-27-23-18(15)13-2-5-16(20)6-3-13/h2-8,11-12,24H,9-10H2,1H3,(H,22,25)","""AuxInfo=1/1/N:1,20,25,9,21,24,10,27,3,13,15,2,19,8,14,22,11,18,6,23,26,5,17,4,7,12,16/E:(2,3)(5,6)/rA:27CCCONCOCCCCOCCCONCCCCCClCCNC/rB:s1;s2;s3;s2;s5;d6;s6;d8;s9;d10;s11;s12;s13;d14;s15;s16;s14d17;s18;d19;s20;d21;s22;s22;s19d24;s11;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.970;  8.370,8.17,0.2,0.2,2.0,8.17,0.2
-YLCVEKOPISEJPY_on_Q13255_WT,High,ChEMBL30,CHEMBL3634420,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(F)c2)occ1,YLCVEKOPISEJPY,YLCVEKOPISEJPY-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCClCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,1;0,0;1,0,0,0,,=,  7.560;  7.550,7.555,0.005,0.005,2.0,7.555,0.005
-YLCVEKOPISEJPY_on_Q14833_WT,High,ChEMBL30,CHEMBL3634420,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(F)c2)occ1,YLCVEKOPISEJPY,YLCVEKOPISEJPY-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,28,27,25,2,7,14,18,23,10,15,3,4,12,16,19,24,6,11,5,13,17,26/rA:28CCCCONCCCCNCOCCCOCClCCCCFCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.580,6.58,0.0,0.0,1.0,6.58,0.0
-YLDRVNNGBACDSD_on_P14867_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.120,9.12,0.0,0.0,1.0,9.12,0.0
-YLDRVNNGBACDSD_on_P18507_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL863773;CHEMBL863774;CHEMBL862572;CHEMBL863772,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.810;  8.970;  9.490;  9.120,9.097999999999999,0.252,0.145,4.0,9.045,0.155
-YLDRVNNGBACDSD_on_P28472_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL863773;CHEMBL862572;CHEMBL863772;CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.810;  9.490;  9.120;  8.970,9.097999999999999,0.252,0.145,4.0,9.045,0.155
-YLDRVNNGBACDSD_on_P31644_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL862572,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  9.490,9.49,0.0,0.0,1.0,9.49,0.0
-YLDRVNNGBACDSD_on_P34903_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL863774,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.970,8.97,0.0,0.0,1.0,8.97,0.0
-YLDRVNNGBACDSD_on_P47869_WT,Low,ChEMBL30,CHEMBL203455,CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1,YLDRVNNGBACDSD,YLDRVNNGBACDSD-UHFFFAOYSA-N,"InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3","""AuxInfo=1/0/N:1,3,25,24,15,16,12,20,18,9,28,11,19,14,13,22,10,5,7,2,23,21,17,8,27,6,26,4/E:(1,2)/rA:28CCCOCNCNCCCCCCCCNCCCNCFCCNNC/rB:s1;s2;s2;s2;d5;s6;d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s14d18;s19;t20;d13;s22;s22;s11d24;s7s10;s26;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL863773,PMID:16386900,2006.0,PMID:16386900,2006,0,0,0,1,0,,=,  8.810,8.81,0.0,0.0,1.0,8.81,0.0
-YLHPKBZVQSDZJT_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830913,c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc(N2CCCC2)c1,YLHPKBZVQSDZJT,YLHPKBZVQSDZJT-UHFFFAOYSA-N,"InChI=1S/C18H20N6S/c1-2-10-24(9-1)16-8-4-7-15(20-16)21-18-22-17-12-11-19-23-13(12)5-3-6-14(17)25-18/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,23)(H,20,21,22)","""AuxInfo=1/1/N:22,23,10,1,11,9,2,25,21,24,14,13,12,8,3,19,7,5,15,18,4,6,16,20,17/E:(1,2)(9,10)/rA:25CCCNCNCCCCCCCCNNSNCNCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;s11;s7d12;s13;d14;s12s15;s5s8;d3;s18;s19;s20;s21;s22;s20s23;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YLJREFDVOIBQDA_on_Q05586_WT,Low,ChEMBL30,CHEMBL95,Nc1c2CCCCc2nc2c1cccc2,YLJREFDVOIBQDA,YLJREFDVOIBQDA-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)","""AuxInfo=1/1/N:13,5,14,6,12,4,15,7,11,3,10,8,2,1,9/rA:15NCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s3s7;d8;s9;s2d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120;CHEMBL1105655;CHEMBL1105653,PMID:20361801,2010.0,PMID:26278660;PMID:26278660;PMID:20361801;PMID:20361801,2015;2015;2010;2010,1,0,0,0,0,,=,  4.360;  5.310;  4.360;  5.310,4.835,0.475,0.27399999999999997,4.0,4.835,0.475
-YLJREFDVOIBQDA_on_Q12879_WT,Low,ChEMBL30,CHEMBL95,Nc1c2CCCCc2nc2c1cccc2,YLJREFDVOIBQDA,YLJREFDVOIBQDA-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)","""AuxInfo=1/1/N:13,5,14,6,12,4,15,7,11,3,10,8,2,1,9/rA:15NCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s3s7;d8;s9;s2d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120;CHEMBL1105653,PMID:20361801,2010.0,PMID:26278660;PMID:20361801,2015;2010,1,0,0,0,0,,=,  5.310;  5.310,5.31,0.0,0.0,2.0,5.31,0.0
-YLJREFDVOIBQDA_on_Q13224_WT,Low,ChEMBL30,CHEMBL95,Nc1c2CCCCc2nc2c1cccc2,YLJREFDVOIBQDA,YLJREFDVOIBQDA-UHFFFAOYSA-N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)","""AuxInfo=1/1/N:13,5,14,6,12,4,15,7,11,3,10,8,2,1,9/rA:15NCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;s5;s6;s3s7;d8;s9;s2d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1105655;CHEMBL3608122,PMID:20361801,2010.0,PMID:20361801;PMID:26278660,2010;2015,1,0,0,0,0,,=,  4.360;  4.360,4.36,0.0,0.0,2.0,4.36,0.0
-YLMCUXMPYWJRLT_on_Q14833_WT,Low,ChEMBL30,CHEMBL1830699,c1cc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cnc1,YLMCUXMPYWJRLT,YLMCUXMPYWJRLT-UHFFFAOYSA-N,"InChI=1S/C13H11N5S/c1-2-8(6-14-5-1)16-13-17-12-9-7-15-18-10(9)3-4-11(12)19-13/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)","""AuxInfo=1/1/N:1,2,10,9,19,17,14,3,15,11,8,7,5,18,13,4,6,12,16/rA:19CCCNCNCCCCCNNCCSCNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;s7s11d14;s5s8;d3;s17;s1d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1831599,PMID:21688779,2011.0,PMID:21688779,2011,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YLMDCXWBSQNQOX_on_P31644_WT,High,ChEMBL30,CHEMBL3676547,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccc(Cl)c2)no1,YLMDCXWBSQNQOX,YLMDCXWBSQNQOX-UHFFFAOYSA-N,"InChI=1S/C19H15ClF3N3O3/c1-11-15(17(26-29-11)12-3-2-4-14(20)7-12)9-28-16-6-5-13(8-24-16)18(27)25-10-19(21,22)23/h2-8H,9-10H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,23,22,24,8,7,27,18,4,13,2,21,9,25,3,6,20,10,14,26,15,16,17,19,12,28,11,5,29/E:(21,22,23)/rA:29CCCCOCCCCCONCCFFFCNCCCCCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s25;s21d25;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-YLOYRSFMNLQTKN_on_Q14416_WT,High,ChEMBL30,CHEMBL4063336,NC1(C(=O)O)CC(NC(=O)c2ccc(F)cc2)C2C(C(=O)O)C21,YLOYRSFMNLQTKN,YLOYRSFMNLQTKN-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-3-1-6(2-4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,15,1,8,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCFCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  6.480;  7.720,7.1,0.62,0.62,2.0,7.1,0.62
-YLOYRSFMNLQTKN_on_Q14832_WT,High,ChEMBL30,CHEMBL4063336,NC1(C(=O)O)CC(NC(=O)c2ccc(F)cc2)C2C(C(=O)O)C21,YLOYRSFMNLQTKN,YLOYRSFMNLQTKN-UHFFFAOYSA-N,"InChI=1S/C15H15FN2O5/c16-7-3-1-6(2-4-7)12(19)18-8-5-15(17,14(22)23)11-9(8)10(11)13(20)21/h1-4,8-11H,5,17H2,(H,18,19)(H,20,21)(H,22,23)","""AuxInfo=1/1/N:12,17,13,16,6,11,14,7,18,19,23,9,20,3,2,15,1,8,10,21,22,4,5/E:(1,2)(3,4)(20,21)(22,23)/rA:23NCCOOCCNCOCCCCFCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s7;s18;s19;d20;s20;s2s18s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  8.360;  8.180,8.27,0.09,0.09,2.0,8.27,0.09
-YLPHFEFMBAMSKS_on_P14867_WT,Low,ChEMBL30,CHEMBL224608,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,YLPHFEFMBAMSKS,YLPHFEFMBAMSKS-UHFFFAOYSA-N,"InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-YLPHFEFMBAMSKS_on_P18507_WT,Low,ChEMBL30,CHEMBL224608,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,YLPHFEFMBAMSKS,YLPHFEFMBAMSKS-UHFFFAOYSA-N,"InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL919089;CHEMBL919088;CHEMBL919087,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.320;  7.850;  8.210,8.127,0.201,0.142,3.0,8.21,0.11
-YLPHFEFMBAMSKS_on_P28472_WT,Low,ChEMBL30,CHEMBL224608,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,YLPHFEFMBAMSKS,YLPHFEFMBAMSKS-UHFFFAOYSA-N,"InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL919087;CHEMBL919089;CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.210;  8.320;  7.850,8.127,0.201,0.142,3.0,8.21,0.11
-YLPHFEFMBAMSKS_on_P34903_WT,Low,ChEMBL30,CHEMBL224608,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,YLPHFEFMBAMSKS,YLPHFEFMBAMSKS-UHFFFAOYSA-N,"InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL919089,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  8.320,8.32,0.0,0.0,1.0,8.32,0.0
-YLPHFEFMBAMSKS_on_P47869_WT,Low,ChEMBL30,CHEMBL224608,Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1,YLPHFEFMBAMSKS,YLPHFEFMBAMSKS-UHFFFAOYSA-N,"InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3","""AuxInfo=1/0/N:1,27,16,26,28,15,17,25,29,14,18,22,7,4,24,13,23,21,6,12,9,5,3,20,19,10,2,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:29CNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d12;s19;s11d20;s21;s9d22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL919088,PMID:16279764,2005.0,PMID:16279764,2005,0,0,0,1,0,,=,  7.850,7.85,0.0,0.0,1.0,7.85,0.0
-YLQJLHCKRNGVIP_on_P41594_WT,High,ChEMBL30,CHEMBL2338568;CHEMBL2338567;CHEMBL2338567;CHEMBL2338566;CHEMBL2338566,O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cc(F)ccc1,YLQJLHCKRNGVIP,YLQJLHCKRNGVIP-UHFFFAOYSA-N,"InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)","""AuxInfo=1/1/N:17,25,6,18,26,16,24,7,5,13,21,19,12,20,14,22,8,4,10,2,15,23,9,3,11,1/rA:26OCNCCCCCNCOCCCClCCCCCCCFCCC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s14;d14;s16;s12d17;s4s8;s2;d20;s21;s22;d22;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2343304;CHEMBL2343304;CHEMBL2343303;CHEMBL2343303;CHEMBL2343304,PMID:23357634,2013.0,PMID:23357634,2013,1;1;0;0;1,0,0,0;0;1;1;0,0,,=,  5.020;  7.230;  6.680;  6.500;  7.070,6.5,0.785,0.392,5.0,6.68,0.39
-YLQSGJISLYRZQB_on_P41594_WT,High,ChEMBL30,CHEMBL205032,FC(F)(F)c1ccc(Sc2ccnc(-c3ccccn3)n2)cc1,YLQSGJISLYRZQB,YLQSGJISLYRZQB-UHFFFAOYSA-N,"InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-6-12(7-5-11)23-14-8-10-21-15(22-14)13-3-1-2-9-20-13/h1-10H","""AuxInfo=1/0/N:17,18,16,6,23,7,22,11,19,12,5,8,15,10,14,2,1,3,4,20,13,21,9/E:(4,5)(6,7)(17,18,19)/rA:23FCFFCCCCSCCCNCCCCCCNNCC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s10d14;s8;s5d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL865700,PMID:16481165,2006.0,PMID:16481165,2006,1,0,0,0,0,,=,  6.680,6.68,0.0,0.0,1.0,6.68,0.0
-YLRURIRIQRAQJJ_on_O00591_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_O14764_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P14867_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P18505_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P18507_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P28472_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P31644_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P34903_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P47869_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P47870_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P48169_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_P78334_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLRURIRIQRAQJJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL153980,O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YLRURIRIQRAQJJ,YLRURIRIQRAQJJ-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-10-1-2-12-13(5-10)19-14(18-20(12)22)11(6-17-19)15(21)23-7-9-3-4-24-8-9/h1-6,8H,7H2","""AuxInfo=1/0/N:20,21,9,8,17,24,4,6,5,18,10,15,16,11,2,19,23,12,22,13,1,14,3,7/CRV:20.5/rA:24OCOCCCSCCCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-YLSUDQILVFXJBQ_on_P41594_WT,Low,ChEMBL30,CHEMBL1784068,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(C)cc2)cn1,YLSUDQILVFXJBQ,YLSUDQILVFXJBQ-UHFFFAOYSA-N,"InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,4,6,8,25,16,15,13/E:(4,5)(6,7)/rA:25CCCNCNCNCCCCSCONCCCCCCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YLSUDQILVFXJBQ_on_Q13255_WT,High,ChEMBL30,CHEMBL1784068,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(C)cc2)cn1,YLSUDQILVFXJBQ,YLSUDQILVFXJBQ-UHFFFAOYSA-N,"InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)","""AuxInfo=1/1/N:1,21,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,4,6,8,25,16,15,13/E:(4,5)(6,7)/rA:25CCCNCNCNCCCCSCONCCCCCCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-YLZBNNDOEUIHFB_on_O00591_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-YLZBNNDOEUIHFB_on_O14764_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-YLZBNNDOEUIHFB_on_P14867_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-YLZBNNDOEUIHFB_on_P18505_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-YLZBNNDOEUIHFB_on_P18507_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
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-YLZBNNDOEUIHFB_on_P47870_WT,Low,ChEMBL30,CHEMBL310109,C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2,YLZBNNDOEUIHFB,YLZBNNDOEUIHFB-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4S/c1-3-6-22-17(21)13-10(2)20-16-14(15(13)19)11-4-5-18(9-12(11)25-16)23-7-8-24-18/h1H,4-9H2,2H3,(H2,19,20)","""AuxInfo=1/1/N:1,14,2,18,19,3,23,24,21,13,17,16,7,10,8,11,5,20,9,12,6,4,22,25,15/E:(7,8)(23,24)/rA:25CCCOCOCCNCCNCCSCCCCCCOCCO/rB:t1;s2;s3;s4;d5;s5;d7;s8;s8;d10;s11;s7d12;s13;s11;s15;s10d16;s17;s18;s19;s16s20;s20;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681822,DOI:10.1016/0960-894X(95)00430-2,1995.0,DOI:10.1016/0960-894X(95)00430-2,1995,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
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-YLZBQHWHKPXHPN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3900813,CC(Cc1cccnc1)c1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,YLZBQHWHKPXHPN,YLZBQHWHKPXHPN-UHFFFAOYSA-N,"InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)","""AuxInfo=1/1/N:1,6,5,16,21,11,17,20,12,7,3,29,22,9,2,4,15,10,18,13,14,28,23,24,19,25,8,27,26/E:(4,5)(7,8)/rA:29CCCCCCCNCCCCCCCCCCFCCCCCNONCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680;  7.700,7.69,0.01,0.01,2.0,7.69,0.01
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-YMBNTGAWHCIVEX_on_Q12879_WT,Low,ChEMBL30,CHEMBL151489,c1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1,YMBNTGAWHCIVEX,YMBNTGAWHCIVEX-UHFFFAOYSA-N,"InChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2","""AuxInfo=1/0/N:1,16,2,22,15,17,3,21,14,18,7,20,8,19,10,11,5,4,6,13,9,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22CCCCCCCCNCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YMBNTGAWHCIVEX_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151489,c1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1,YMBNTGAWHCIVEX,YMBNTGAWHCIVEX-UHFFFAOYSA-N,"InChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2","""AuxInfo=1/0/N:1,16,2,22,15,17,3,21,14,18,7,20,8,19,10,11,5,4,6,13,9,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22CCCCCCCCNCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-YMBNTGAWHCIVEX_on_Q14957_WT,Low,ChEMBL30,CHEMBL151489,c1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1,YMBNTGAWHCIVEX,YMBNTGAWHCIVEX-UHFFFAOYSA-N,"InChI=1S/C20H25NS/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2","""AuxInfo=1/0/N:1,16,2,22,15,17,3,21,14,18,7,20,8,19,10,11,5,4,6,13,9,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22CCCCCCCCNCCSCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s9;s6s19;s4;s1d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YMGNNTVWSYKAPY_on_Q14833_WT,High,ChEMBL30,CHEMBL1209743,Nc1nccc(C=Cc2ncccc2)n1,YMGNNTVWSYKAPY,YMGNNTVWSYKAPY-UHFFFAOYSA-N,"InChI=1S/C11H10N4/c12-11-14-8-6-10(15-11)5-4-9-3-1-2-7-13-9/h1-8H,(H2,12,14,15)","""AuxInfo=1/1/N:13,12,14,8,7,5,11,4,9,6,2,1,10,3,15/rA:15NCNCCCCCCNCCCCN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  4.930,4.93,0.0,0.0,1.0,4.93,0.0
-YMGUHZGKJXJICQ_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL429781;44453020,Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cccc(F)c2)n1,YMGUHZGKJXJICQ,YMGUHZGKJXJICQ-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O/c1-15-13-25-14-17(21(26)24-9-2-3-10-24)12-20(25)19(23-15)8-7-16-5-4-6-18(22)11-16/h4-6,11-14H,2-3,9-10H2,1H3","""AuxInfo=1/0/N:1,11,12,21,20,22,18,17,10,13,25,14,3,5,2,19,6,23,16,15,7,24,26,9,4,8/E:(2,3)(9,10)/rA:26CCCNCCCONCCCCCCCCCCCCCCFCN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s9s12;s6;s4d14;s15;s16;t17;s18;d19;s20;d21;s22;s23;s19d23;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  7.700;  7.700,7.7,0.0,0.0,2.0,7.7,0.0
-YMHFHDKDDMBMLK_on_P14867_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P18505_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P28472_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P31644_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P34903_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P47869_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P47870_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_P48169_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMHFHDKDDMBMLK_on_Q16445_WT,Low,ChEMBL30,CHEMBL1084038,CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1,YMHFHDKDDMBMLK,YMHFHDKDDMBMLK-UHFFFAOYSA-N,"InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)","""AuxInfo=1/1/N:1,3,28,33,29,32,20,19,23,34,12,27,30,21,18,26,14,24,10,17,8,7,5,15,2,31,22,25,9,16,13,11,6,4,35/E:(1,2)(3,4)(5,6)/rA:35CCCOCOCCNCOCOCCNCCCCCClCCClCCCCCClCCCO/rB:s1;s2;s2;s2;d5;s5;d7;s8;s9;d10;s10;s12;s8;d14;s15;d16;s17;d18;s19;d20;s21;s21;s18d23;s24;s17;s26;d27;s28;d29;s30;s30;s27d32;s14d26;s7s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1120210,PMID:20483606,2010.0,PMID:20483606,2010,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YMIKAQYPFQWUEM_on_P14867_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.180;  7.180,7.18,0.0,0.0,2.0,7.18,0.0
-YMIKAQYPFQWUEM_on_P18507_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253;CHEMBL681090;CHEMBL680293;CHEMBL685340;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985,2003;2003;2003;2003;2002;2002;2002;2002,0,0,0,1,0,,=,  7.250;  7.180;  8.280;  7.680;  7.680;  7.180;  8.280;  7.250,7.598,0.43799999999999994,0.166,8.0,7.465,0.25
-YMIKAQYPFQWUEM_on_P28472_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL683015;CHEMBL681090;CHEMBL680293;CHEMBL685340;CHEMBL682253;CHEMBL681405;CHEMBL681641;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.250;  7.680;  7.180;  8.280;  7.680;  7.250;  7.180;  8.280,7.597,0.43799999999999994,0.166,8.0,7.465,0.25
-YMIKAQYPFQWUEM_on_P31644_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.280;  8.280,8.28,0.0,0.0,2.0,8.28,0.0
-YMIKAQYPFQWUEM_on_P34903_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.680;  7.680,7.68,0.0,0.0,2.0,7.68,0.0
-YMIKAQYPFQWUEM_on_P47869_WT,Low,ChEMBL30,CHEMBL17354,CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,YMIKAQYPFQWUEM,YMIKAQYPFQWUEM-UHFFFAOYSA-N,"InChI=1S/C14H16N2OS2/c1-14(2)6-8-11(10(17)7-14)13(18-3)19-12(8)9-4-5-15-16-9/h4-5H,6-7H2,1-3H3,(H,15,16)","""AuxInfo=1/1/N:9,10,1,18,17,11,7,12,14,5,4,13,3,8,16,15,6,2,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNNCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;s16;s14d17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.250;  7.250,7.25,0.0,0.0,2.0,7.25,0.0
-YMJVEUCXLZNFQU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3892816,CC(C)(C)C1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,YMJVEUCXLZNFQU,YMJVEUCXLZNFQU-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c1-20(2,3)21(4)15-23(19(24)25-21)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3","""AuxInfo=1/0/N:1,3,4,6,18,17,19,16,20,14,13,11,10,21,7,15,12,9,23,2,5,22,8,24,25/E:(1,2,3)(6,7)(8,9)/rA:25CCCCCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s2;s2;s5;s5;s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;s8;d23;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-YMLQPPVUBPVWMN_on_P31644_WT,High,ChEMBL30,CHEMBL3676550,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cccc(Cl)c2)no1,YMLQPPVUBPVWMN,YMLQPPVUBPVWMN-UHFFFAOYSA-N,"InChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-3-2-4-17(23)11-15)13-29-20-6-5-16(12-24-20)22(27)25-18-7-9-28-10-8-18/h2-6,11-12,18H,7-10,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,23,25,8,7,14,18,15,17,28,19,4,2,22,9,26,13,3,6,21,10,27,20,12,29,11,16,5,30/E:(7,8)(9,10)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCCClCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s26;s22d26;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.410,8.41,0.0,0.0,1.0,8.41,0.0
-YMNBLKSITVXHKH_on_P31644_WT,High,ChEMBL30,CHEMBL3676539,Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccc(F)c2)no1,YMNBLKSITVXHKH,YMNBLKSITVXHKH-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O3/c1-13-18(20(25-28-13)15-3-2-4-17(22)9-15)12-27-19-8-7-16(11-23-19)21(26)24-10-14-5-6-14/h2-4,7-9,11,14H,5-6,10,12H2,1H3,(H,24,26)","""AuxInfo=1/1/N:1,22,21,23,15,16,8,7,26,13,17,4,2,14,20,9,24,3,6,19,10,25,18,12,27,11,5,28/E:(5,6)/rA:28CCCCOCCCCCONCCCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14s15;s9;s6d17;s3;s19;d20;s21;d22;s23;s24;s20d24;d19;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.490,8.49,0.0,0.0,1.0,8.49,0.0
-YMWZFVRRHGUOLL_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779865;CHEMBL1779865;54582599,COc1cc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)ccc1,YMWZFVRRHGUOLL,YMWZFVRRHGUOLL-UHFFFAOYSA-N,"InChI=1S/C20H20N2O2/c1-14(2)22-12-11-19-18(20(22)23)10-9-16(21-19)8-7-15-5-4-6-17(13-15)24-3/h4-6,9-10,13-14H,11-12H2,1-3H3","""AuxInfo=1/0/N:16,17,1,23,22,24,6,7,9,10,19,18,4,15,5,8,3,11,20,12,21,14,13,2/E:(1,2)/rA:24COCCCCCCCCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;s5;t6;s7;d8;s9;d10;s11;d12;s12;s14;s15;s15;s14;s18;s11s19;s8d20;d5;s22;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494;PubChemAID:598490,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598490,2011;2011;2012,0;1;0,0,0,1;0;0,0;0;1,,=,  5.530;  6.960;  6.955,6.482,0.6729999999999999,0.47600000000000003,3.0,6.955,0.005
-YNBNWPHFPQRKNO_on_P41594_WT,High,ChEMBL30,CHEMBL3633948,O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12,YNBNWPHFPQRKNO,YNBNWPHFPQRKNO-UHFFFAOYSA-N,"InChI=1S/C18H21N3O2/c22-18(14-6-4-7-14)20-10-5-11-21-17(20)12-15(19-21)13-23-16-8-2-1-3-9-16/h1-3,8-9,12,14H,4-7,10-11,13H2","""AuxInfo=1/0/N:19,18,20,5,9,4,6,17,21,8,10,22,14,3,13,16,23,2,12,7,11,1,15/E:(2,3)(6,7)(8,9)/rA:23OCCCCCNCCCNNCCOCCCCCCCC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s7s11d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.910;  5.910,5.91,0.0,0.0,2.0,5.91,0.0
-YNDMAMUBWKKHPW_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,46869951;CHEMBL1705230,O=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1,YNDMAMUBWKKHPW,YNDMAMUBWKKHPW-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)","""AuxInfo=1/1/N:15,25,14,16,26,24,5,6,13,17,27,22,11,4,20,23,7,9,2,18,12,21,28,3,8,10,1,19/E:(3,4)(9,10)/rA:28OCNCCCCNCOCCCCCCCCOCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s8s12;d18;s7;s20;s4d20;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197;CHEMBL1924926,PubChemAID:2197,2009.0,PubChemAID:2197;PMID:21966889,2009;2011,0,0;1,0,0,1;0,,=,  6.811;  6.800,6.806,0.006,0.006,2.0,6.806,0.006
-YNDZEMICBJAWPH_on_P41594_WT,High,ChEMBL30,CHEMBL1682812,C(#Cc1nc2c(cc1)NCCO2)c1ccccc1,YNDZEMICBJAWPH,YNDZEMICBJAWPH-UHFFFAOYSA-N,"InChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-8-9-14-15(17-13)18-11-10-16-14/h1-5,8-9,16H,10-11H2","""AuxInfo=1/0/N:16,15,17,14,18,1,2,8,7,10,11,13,3,6,5,9,4,12/E:(2,3)(4,5)/rA:18CCCNCCCCNCCOCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s5s11;s1;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-YNGRKYAIISTAOT_on_P14867_WT,Medium,ChEMBL30,CHEMBL1681897,Fc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1,YNGRKYAIISTAOT,YNGRKYAIISTAOT-UHFFFAOYSA-N,"InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2","""AuxInfo=1/0/N:15,16,14,17,4,28,23,26,3,29,22,27,10,6,5,24,2,21,13,9,12,18,8,25,1,11,19,20,7/E:(5,6)(7,8)(9,10)(11,12)/rA:29FCCCCCOCCCNCCCCCCCNNCCCCClCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s12s16;s9s13;d18;s8s19;s20;d21;s22;d23;s24;s24;s21d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1687497,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.300,7.3,0.0,0.0,1.0,7.3,0.0
-YNGRKYAIISTAOT_on_P47869_WT,Medium,ChEMBL30,CHEMBL1681897,Fc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1,YNGRKYAIISTAOT,YNGRKYAIISTAOT-UHFFFAOYSA-N,"InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2","""AuxInfo=1/0/N:15,16,14,17,4,28,23,26,3,29,22,27,10,6,5,24,2,21,13,9,12,18,8,25,1,11,19,20,7/E:(5,6)(7,8)(9,10)(11,12)/rA:29FCCCCCOCCCNCCCCCCCNNCCCCClCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;s14;s15;s12s16;s9s13;d18;s8s19;s20;d21;s22;d23;s24;s24;s21d26;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1687498,PMID:21277199,2011.0,PMID:21277199,2011,1,0,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-YNJOXUKTRWRWHJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,57389238;CHEMBL2408573,CC1CC(=O)c2c(C1)nc(Nc1ncc(Cl)cc1)nc2,YNJOXUKTRWRWHJ,YNJOXUKTRWRWHJ-UHFFFAOYSA-N,"InChI=1S/C14H13ClN4O/c1-8-4-11-10(12(20)5-8)7-17-14(18-11)19-13-3-2-9(15)6-16-13/h2-3,6-8H,4-5H2,1H3,(H,16,17,18,19)","""AuxInfo=1/1/N:1,17,18,8,3,14,20,2,15,6,7,4,12,10,16,13,19,9,11,5/rA:20CCCCOCCCNCNCNCCClCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:762832;CHEMBL2410491,PMID:23856046,2013.0,PubChemAID:762832;PMID:23856046,2014;2013,0;1,0,0,0,1;0,,=,  6.142;  6.140,6.141,0.001,0.001,2.0,6.141,0.001
-YNMHVHTYCCNTHJ_on_P31644_WT,High,ChEMBL30,CHEMBL3676545,Cc1c(COc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)c(-c2cccc(F)c2)no1,YNMHVHTYCCNTHJ,YNMHVHTYCCNTHJ-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-3-2-4-17(22)11-15)13-29-19-6-5-16(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h2-6,11-12H,7-10,13H2,1H3","""AuxInfo=1/0/N:1,25,24,26,8,7,13,19,14,18,29,20,4,2,23,9,27,3,6,22,10,28,21,30,12,11,16,17,5,31,15/E:(7,8)(9,10)(27,28)/CRV:31.6/rA:31CCCCOCCCCCONCCSOOCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;d15;d15;s15;s12s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s27;s23d27;d22;s2s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.870,7.87,0.0,0.0,1.0,7.87,0.0
-YNMUMZXMMNJDIN_on_P14867_WT,Low,ChEMBL30,CHEMBL58927,COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,YNMUMZXMMNJDIN,YNMUMZXMMNJDIN-UHFFFAOYSA-N,"InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3","""AuxInfo=1/0/N:22,1,11,18,10,12,17,19,9,13,16,20,6,8,15,7,5,14,23,3,21,24,4,2/E:(5,6)(7,8)(9,10)(11,12)/rA:24COCOCCCCCCCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s15d19;s14;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-YNMUMZXMMNJDIN_on_P18507_WT,Low,ChEMBL30,CHEMBL58927,COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,YNMUMZXMMNJDIN,YNMUMZXMMNJDIN-UHFFFAOYSA-N,"InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3","""AuxInfo=1/0/N:22,1,11,18,10,12,17,19,9,13,16,20,6,8,15,7,5,14,23,3,21,24,4,2/E:(5,6)(7,8)(9,10)(11,12)/rA:24COCOCCCCCCCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s15d19;s14;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.280;  6.570,6.425,0.145,0.145,2.0,6.425,0.145
-YNMUMZXMMNJDIN_on_P28472_WT,Low,ChEMBL30,CHEMBL58927,COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,YNMUMZXMMNJDIN,YNMUMZXMMNJDIN-UHFFFAOYSA-N,"InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3","""AuxInfo=1/0/N:22,1,11,18,10,12,17,19,9,13,16,20,6,8,15,7,5,14,23,3,21,24,4,2/E:(5,6)(7,8)(9,10)(11,12)/rA:24COCOCCCCCCCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s15d19;s14;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.280;  6.570,6.425,0.145,0.145,2.0,6.425,0.145
-YNMUMZXMMNJDIN_on_P34903_WT,Low,ChEMBL30,CHEMBL58927,COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O,YNMUMZXMMNJDIN,YNMUMZXMMNJDIN-UHFFFAOYSA-N,"InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3","""AuxInfo=1/0/N:22,1,11,18,10,12,17,19,9,13,16,20,6,8,15,7,5,14,23,3,21,24,4,2/E:(5,6)(7,8)(9,10)(11,12)/rA:24COCOCCCCCCCCCCCCCCCCNCCO/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s14;d15;s16;d17;s18;s15d19;s14;s21;s5s21;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-YNMXLZWEYKEXIB_on_P14867_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YNMXLZWEYKEXIB_on_P18507_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YNMXLZWEYKEXIB_on_P28472_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YNMXLZWEYKEXIB_on_P31644_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  6.770,6.77,0.0,0.0,1.0,6.77,0.0
-YNMXLZWEYKEXIB_on_P34903_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YNMXLZWEYKEXIB_on_P47869_WT,Low,ChEMBL30,CHEMBL304568,CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1,YNMXLZWEYKEXIB,YNMXLZWEYKEXIB-UHFFFAOYSA-N,"InChI=1S/C17H22N2OS2/c1-16(2,3)22-15-13-10(8-17(4,5)9-12(13)20)14(21-15)11-6-7-18-19-11/h6-7H,8-9H2,1-5H3,(H,18,19)","""AuxInfo=1/1/N:11,12,13,1,3,20,19,22,4,21,16,5,7,15,8,10,2,18,17,6,14,9/E:(1,2,3)(4,5)/rA:22CCCCCOCCSCCCCSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s10;s10;s8;s14;s15;d16;s17;s18;s16d19;s7d15;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YNRWXULFBIWSGR_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,70691954;CHEMBL2023469,c1ccc(-n2cc(-c3ccnc4c3ccc(OCCN3CCCCC3)c4)cn2)cc1,YNRWXULFBIWSGR,YNRWXULFBIWSGR-UHFFFAOYSA-N,"InChI=1S/C25H26N4O/c1-3-7-21(8-4-1)29-19-20(18-27-29)23-11-12-26-25-17-22(9-10-24(23)25)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2","""AuxInfo=1/0/N:1,23,2,30,22,24,3,29,15,14,9,10,21,25,19,18,26,27,6,7,4,16,8,13,12,11,28,20,5,17/E:(3,4)(5,6)(7,8)(13,14)/rA:30CCCCNCCCCCNCCCCCOCCNCCCCCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s12d16;s7;s5d27;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:659510;CHEMBL2025296,PMID:22465637,2012.0,PubChemAID:659510;PMID:22465637,2013;2012,0,0;1,0,0,1;0,,=,  5.222;  5.220,5.221,0.001,0.001,2.0,5.221,0.001
-YNSSLYBREVKLTK_on_P41594_WT,High,ChEMBL30,CHEMBL4077717,Cc1nc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)ccc1,YNSSLYBREVKLTK,YNSSLYBREVKLTK-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c1-15-6-5-9-17(22-15)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-16-7-3-2-4-8-16/h2-9,11,18H,10,12-14H2,1H3","""AuxInfo=1/0/N:1,22,21,23,26,27,20,24,25,18,8,5,16,14,2,19,4,17,12,7,9,3,13,11,10,15,6/E:(3,4)(7,8)/rA:27CCNCCOCCCONCNCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s9;s11;s7d12;s12;s14;s15;s11s16;s17;s18;d19;s20;d21;s22;s19d23;d4;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4019145,PMID:28817277,2017.0,PMID:28817277,2017,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YNSZFIUHHIUANF_on_Q14833_WT,High,ExCAPE-DB,44191179,N#Cc1c(C(F)(F)F)cc(NC(=O)c2ccccn2)cc1,YNSZFIUHHIUANF,YNSZFIUHHIUANF-UHFFFAOYSA-N,"InChI=1S/C14H8F3N3O/c15-14(16,17)11-7-10(5-4-9(11)8-18)20-13(21)12-3-1-2-6-19-12/h1-7H,(H,20,21)","""AuxInfo=1/1/N:16,17,15,21,20,18,9,2,3,10,4,14,12,5,6,7,8,1,19,11,13/E:(15,16,17)/rA:21NCCCCFFFCCNCOCCCCCNCC/rB:t1;s2;d3;s4;s5;s5;s5;s4;d9;s10;s11;d12;s12;d14;s15;d16;s17;s14d18;s10;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197,PMID:19469556,2009.0,PubChemAID:2197,2009,0,0,0,0,1,,=,  5.752,5.752000000000001,0.0,0.0,1.0,5.752000000000001,0.0
-YNUWJDHDKCMSGN_on_Q14416_WT,High,ChEMBL30,CHEMBL1095704,O=C1OC(Cc2ccccc2)CN1c1ccccc1,YNUWJDHDKCMSGN,YNUWJDHDKCMSGN-UHFFFAOYSA-N,"InChI=1S/C16H15NO2/c18-16-17(14-9-5-2-6-10-14)12-15(19-16)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2","""AuxInfo=1/0/N:9,17,8,10,16,18,7,11,15,19,5,12,6,14,4,2,13,1,3/E:(3,4)(5,6)(7,8)(9,10)/rA:19OCOCCCCCCCCCNCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s4;s2s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  4.600,4.6,0.0,0.0,1.0,4.6,0.0
-YNXGXAIBAVEKMN_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3978058,CCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1C(F)(F)F,YNXGXAIBAVEKMN,YNXGXAIBAVEKMN-UHFFFAOYSA-N,"InChI=1S/C24H18F4N4O3/c1-2-35-23(34)18-12-32(31-21(18)24(26,27)28)11-13-3-8-16-17(14-4-6-15(25)7-5-14)10-20(22(29)33)30-19(16)9-13/h3-10,12H,2,11H2,1H3,(H2,29,33)","""AuxInfo=1/1/N:1,2,11,16,21,17,20,12,29,22,9,7,10,15,18,13,14,6,28,23,31,24,4,32,19,33,34,35,25,27,30,8,26,5,3/E:(4,5)(6,7)(26,27,28)/rA:35CCOCOCCNCCCCCCCCCCFCCCCCNONCCNCCFFF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s8;s6d30;s31;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YNXWIWIZFMWKTF_on_P41594_WT,High,ChEMBL30,CHEMBL3702437,CCCc1cccc2c1CCN1C(=O)CN=C(n3cnc(-c4ncco4)c3)C=C21,YNXWIWIZFMWKTF,YNXWIWIZFMWKTF-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-2-4-15-5-3-6-17-16(15)7-9-27-19(17)11-20(24-12-21(27)28)26-13-18(25-14-26)22-23-8-10-29-22/h3,5-6,8,10-11,13-14H,2,4,7,9,12H2,1H3","""AuxInfo=1/0/N:1,2,6,3,5,7,10,24,11,25,28,15,27,19,4,9,8,21,29,17,13,22,23,16,20,18,12,14,26/rA:29CCCCCCCCCCCNCOCNCNCNCCNCCOCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;w?16;s17;s18;d19;s20;s21;d22;s23;d24;s22s25;s18d21;s17;s8s12w?28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YOBOTSCRSOCOSY_on_P31644_WT,High,ChEMBL30,CHEMBL3676496,Cc1c(COc2ccc(C(=O)NC3CCCN(CC(=O)NCC(F)(F)F)C3)cn2)c(-c2ccccc2)no1,YOBOTSCRSOCOSY,YOBOTSCRSOCOSY-UHFFFAOYSA-N,"InChI=1S/C26H28F3N5O4/c1-17-21(24(33-38-17)18-6-3-2-4-7-18)15-37-23-10-9-19(12-30-23)25(36)32-20-8-5-11-34(13-20)14-22(35)31-16-26(27,28)29/h2-4,6-7,9-10,12,20H,5,8,11,13-16H2,1H3,(H,31,35)(H,32,36)","""AuxInfo=1/1/N:1,34,33,35,15,32,36,14,8,7,16,28,27,18,4,22,2,31,9,13,3,19,6,30,10,23,24,25,26,29,21,12,37,17,20,11,5,38/E:(3,4)(6,7)(27,28,29)/rA:38CCCCOCCCCCONCCCCNCCONCCFFFCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;d19;s19;s21;s22;s23;s23;s23;s13s17;s9;s6d28;s3;s30;d31;s32;d33;s34;s31d35;d30;s2s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YODVJKLIRZEFFO_on_Q14833_WT,High,ChEMBL30,CHEMBL2023627,CCNC(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,YODVJKLIRZEFFO,YODVJKLIRZEFFO-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2/c1-2-22-21(26)27-17-8-9-19-18(10-11-23-20(19)12-17)15-13-24-25(14-15)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,22,26)","""AuxInfo=1/1/N:1,2,18,17,19,16,20,8,9,23,24,27,22,13,12,15,7,11,10,26,4,3,25,21,14,5,6/E:(4,5)(6,7)/rA:27CCNCOOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;d11;s23;d24;s10s25;s7d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YOFDQPGVWBYGBN_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771670,O=C(C1CCC1)N1CCCCC1c1nc(-c2ncccc2)no1,YOFDQPGVWBYGBN,YOFDQPGVWBYGBN-UHFFFAOYSA-N,"InChI=1S/C17H20N4O2/c22-17(12-6-5-7-12)21-11-4-2-9-14(21)16-19-15(20-23-16)13-8-1-3-10-18-13/h1,3,8,10,12,14H,2,4-7,9,11H2","""AuxInfo=1/0/N:20,10,19,9,5,4,6,21,11,18,8,3,16,12,15,13,2,17,14,22,7,1,23/E:(6,7)/rA:23OCCCCCNCCCCCCNCCNCCCCNO/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s7s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;d15;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YOGKDBMNVNETRZ_on_P14867_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YOGKDBMNVNETRZ_on_P18507_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678329;CHEMBL682251;CHEMBL681480;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.800;  7.280;  6.700;  7.510,7.322,0.40399999999999997,0.233,4.0,7.395,0.26
-YOGKDBMNVNETRZ_on_P28472_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.510;  7.800;  7.280;  6.700,7.322,0.40399999999999997,0.233,4.0,7.395,0.26
-YOGKDBMNVNETRZ_on_P31644_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-YOGKDBMNVNETRZ_on_P34903_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-YOGKDBMNVNETRZ_on_P47869_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-YOGKDBMNVNETRZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL408797,O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1,YOGKDBMNVNETRZ,YOGKDBMNVNETRZ-UHFFFAOYSA-N,"InChI=1S/C15H10BrN3O3/c16-9-5-6-12-11(7-9)15(17-8-14(20)18-12)10-3-1-2-4-13(10)19(21)22/h1-7H,8H2,(H,18,20)","""AuxInfo=1/1/N:13,12,14,11,18,17,21,3,19,6,15,16,7,2,5,20,4,22,8,1,9,10/E:(21,22)/CRV:19.5/rA:22OCCNCCCN+OO-CCCCCCCCCBrCN/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s8;s7;d11;s12;s6d13;s5;d15;s16;d17;s18;s19;s15d19;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YOJAHANNNITYMX_on_O00591_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_O14764_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P14867_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P18505_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P18507_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P28472_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P31644_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P34903_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P47869_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P47870_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P48169_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_P78334_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_Q16445_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YOJAHANNNITYMX_on_Q99928_WT,Low,ChEMBL30,CHEMBL147868,O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12,YOJAHANNNITYMX,YOJAHANNNITYMX-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-12-7-5-11(6-8-12)9-19-17(22)16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)","""AuxInfo=1/1/N:20,19,21,18,6,11,7,10,4,15,5,8,22,14,17,12,2,16,3,9,13,1/E:(5,6)(7,8)/rA:22OCNCCCCCOCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s8;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-YONGFTMLRNQUHX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3921665,CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(OC)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F,YONGFTMLRNQUHX,YONGFTMLRNQUHX-UHFFFAOYSA-N,"InChI=1S/C26H25F3N4O4/c1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-15-5-7-17-18(11-20(24(30)34)32-19(17)9-15)16-6-8-21(36-2)22(10-16)37-3/h5-11,13-14,35H,4,12H2,1-3H3,(H2,30,34)","""AuxInfo=1/1/N:1,19,22,2,10,15,11,16,31,23,24,8,6,32,9,14,12,13,30,25,17,20,5,26,3,34,35,36,37,27,33,29,7,28,4,18,21/E:(27,28,29)/rA:37CCCOCCNCCCCCCCCCCOCCOCCCCCNONCCCNCFFF/rB:s1;s2;s3;s3;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s20;s21;s14d20;d13;s24;s25;s26;d26;d25;s12s29;s9d30;s7;s5d32;s3;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-YOOLNDVTUWWSFB_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1630069;53319314,Cc1nn2c(C)c(C(C)OC(=O)Nc3ccccc3)oc2n1,YOOLNDVTUWWSFB,YOOLNDVTUWWSFB-UHFFFAOYSA-N,"InChI=1S/C15H16N4O3/c1-9-13(22-14-16-11(3)18-19(9)14)10(2)21-15(20)17-12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H,17,20)","""AuxInfo=1/1/N:6,9,1,17,16,18,15,19,5,8,2,14,7,21,11,22,13,3,4,12,10,20/E:(5,6)(7,8)/rA:22CCNNCCCCCOCONCCCCCCOCN/rB:s1;d2;s3;s4;s5;d5;s7;s8;s8;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;s7;s4s20;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082;PubChemAID:546886,PMID:21051228,2010.0,PMID:21051228;PubChemAID:546886,2010;2011,1;0,0,0,0,0;1,,=,  7.400;  7.400,7.4,0.0,0.0,2.0,7.4,0.0
-YOQRVGXAPHVNED_on_P14867_WT,Low,ChEMBL30,CHEMBL176307,CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2,YOQRVGXAPHVNED,YOQRVGXAPHVNED-UHFFFAOYSA-N,"InChI=1S/C14H15FN2O/c1-17-12-6-5-10(15)7-11(12)14(9-3-2-4-9)16-8-13(17)18/h5-7,9H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,10,9,11,15,14,18,5,8,16,12,13,3,7,17,6,2,4/E:(3,4)/rA:18CNCOCNCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;s8;s9;s8s10;s7;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YOQRVGXAPHVNED_on_P31644_WT,Low,ChEMBL30,CHEMBL176307,CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2,YOQRVGXAPHVNED,YOQRVGXAPHVNED-UHFFFAOYSA-N,"InChI=1S/C14H15FN2O/c1-17-12-6-5-10(15)7-11(12)14(9-3-2-4-9)16-8-13(17)18/h5-7,9H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,10,9,11,15,14,18,5,8,16,12,13,3,7,17,6,2,4/E:(3,4)/rA:18CNCOCNCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;s8;s9;s8s10;s7;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YOQRVGXAPHVNED_on_P34903_WT,Low,ChEMBL30,CHEMBL176307,CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2,YOQRVGXAPHVNED,YOQRVGXAPHVNED-UHFFFAOYSA-N,"InChI=1S/C14H15FN2O/c1-17-12-6-5-10(15)7-11(12)14(9-3-2-4-9)16-8-13(17)18/h5-7,9H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,10,9,11,15,14,18,5,8,16,12,13,3,7,17,6,2,4/E:(3,4)/rA:18CNCOCNCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;s8;s9;s8s10;s7;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YOQRVGXAPHVNED_on_P47869_WT,Low,ChEMBL30,CHEMBL176307,CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2,YOQRVGXAPHVNED,YOQRVGXAPHVNED-UHFFFAOYSA-N,"InChI=1S/C14H15FN2O/c1-17-12-6-5-10(15)7-11(12)14(9-3-2-4-9)16-8-13(17)18/h5-7,9H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,10,9,11,15,14,18,5,8,16,12,13,3,7,17,6,2,4/E:(3,4)/rA:18CNCOCNCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;s8;s9;s8s10;s7;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YOQRVGXAPHVNED_on_Q16445_WT,Low,ChEMBL30,CHEMBL176307,CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2,YOQRVGXAPHVNED,YOQRVGXAPHVNED-UHFFFAOYSA-N,"InChI=1S/C14H15FN2O/c1-17-12-6-5-10(15)7-11(12)14(9-3-2-4-9)16-8-13(17)18/h5-7,9H,2-4,8H2,1H3","""AuxInfo=1/0/N:1,10,9,11,15,14,18,5,8,16,12,13,3,7,17,6,2,4/E:(3,4)/rA:18CNCOCNCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;w?6;s7;s8;s9;s8s10;s7;s2d12;s13;d14;s15;s16;s12d16;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-YORBVEUDJZJENL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013197,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,YORBVEUDJZJENL,YORBVEUDJZJENL-UHFFFAOYSA-N,"InChI=1S/C18H19N3O/c22-16-9-8-15-17(14(16)12-21-10-4-5-11-21)20-18(19-15)13-6-2-1-3-7-13/h1-3,6-9,22H,4-5,10-12H2,(H,19,20)","""AuxInfo=1/1/N:11,10,12,20,21,9,13,4,3,19,22,17,8,16,5,2,15,7,6,14,18,1/E:(2,3)(4,5)(6,7)(10,11)/rA:22OCCCCNCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YORBVEUDJZJENL_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70685326;CHEMBL2013197,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,YORBVEUDJZJENL,YORBVEUDJZJENL-UHFFFAOYSA-N,"InChI=1S/C18H19N3O/c22-16-9-8-15-17(14(16)12-21-10-4-5-11-21)20-18(19-15)13-6-2-1-3-7-13/h1-3,6-9,22H,4-5,10-12H2,(H,19,20)","""AuxInfo=1/1/N:11,10,12,20,21,9,13,4,3,19,22,17,8,16,5,2,15,7,6,14,18,1/E:(2,3)(4,5)(6,7)(10,11)/rA:22OCCCCNCCCCCCCNCCCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-YOSHCCRJVCWCQF_on_P41594_WT,Medium,ChEMBL30,CHEMBL3920577;CHEMBL4106899;CHEMBL4106899,CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCC21,YOSHCCRJVCWCQF,YOSHCCRJVCWCQF-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3","""AuxInfo=1/0/N:1,14,23,13,15,22,24,11,10,8,7,18,19,12,9,16,21,6,25,5,3,17,20,2,4/rA:25CNCOCCCCCCCCCCCCFCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s21;s22;s23;s2s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.600;  7.480;  7.320,7.4670000000000005,0.115,0.081,3.0,7.48,0.12
-YOTUUSSPAPIAAM_on_P41594_WT,Medium,ChEMBL30,CHEMBL3986335,CC1CN(c2ncc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C,YOTUUSSPAPIAAM,YOTUUSSPAPIAAM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c1-14-13-22(18(23)24-19(14,2)3)17-20-11-16(12-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-12,14H,13H2,1-3H3","""AuxInfo=1/0/N:1,23,24,14,13,15,12,16,10,9,7,17,3,2,11,8,5,19,22,6,18,4,20,21/E:(2,3)(5,6)(7,8)(11,12)(20,21)/rA:24CCCNCNCCCCCCCCCCCNCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s11d15;s8;s5d17;s4;d19;s19;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.420,7.42,0.0,0.0,1.0,7.42,0.0
-YOUFPIVQKJMXMT_on_Q05586_WT,Low,ChEMBL30,CHEMBL65693,CS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,YOUFPIVQKJMXMT,YOUFPIVQKJMXMT-UHFFFAOYSA-N,"InChI=1S/C21H19N3O3S/c1-28(25,26)24-16-9-12-19-20(14-16)23-21(22-19)13-15-7-10-18(11-8-15)27-17-5-3-2-4-6-17/h2-12,14,24H,13H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,21,25,16,27,11,17,26,10,14,7,15,6,20,18,9,8,13,12,28,5,3,4,19,2/E:(3,4)(5,6)(7,8)(10,11)(25,26)/CRV:28.6/rA:28CSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;d15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;s18;s15d26;s8d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  9.170;  9.140,9.155,0.015,0.015,2.0,9.155,0.015
-YOUFPIVQKJMXMT_on_Q13224_WT,Low,ChEMBL30,CHEMBL65693,CS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2,YOUFPIVQKJMXMT,YOUFPIVQKJMXMT-UHFFFAOYSA-N,"InChI=1S/C21H19N3O3S/c1-28(25,26)24-16-9-12-19-20(14-16)23-21(22-19)13-15-7-10-18(11-8-15)27-17-5-3-2-4-6-17/h2-12,14,24H,13H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,23,22,24,21,25,16,27,11,17,26,10,14,7,15,6,20,18,9,8,13,12,28,5,3,4,19,2/E:(3,4)(5,6)(7,8)(10,11)(25,26)/CRV:28.6/rA:28CSOONCCCCCCNCCCCCCOCCCCCCCCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s6d10;s9;s12;s13;s14;d15;s16;d17;s18;s19;d20;s21;d22;s23;s20d24;s18;s15d26;s8d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  9.170;  9.140,9.155,0.015,0.015,2.0,9.155,0.015
-YOWSKYGQAZYPKK_on_P41594_WT,High,ChEMBL30,CHEMBL201068,C#Cc1cc(C#Cc2csc(C)n2)cnc1,YOWSKYGQAZYPKK,YOWSKYGQAZYPKK-UHFFFAOYSA-N,"InChI=1S/C13H8N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h1,6-9H,2H3","""AuxInfo=1/0/N:1,12,2,6,7,4,16,14,9,11,3,5,8,15,13,10/rA:16CCCCCCCCCSCCNCNC/rB:t1;s2;d3;s4;s5;t6;s7;d8;s9;s10;s11;s8d11;d5;s14;s3d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864050,PMID:16451073,2006.0,PMID:16451073,2006,1,0,0,0,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-YOYRSDIZXSVIMH_on_P41594_WT,Medium,ChEMBL30,CHEMBL1783976,O=C(c1ccco1)N1CCCC2(CCCCC2)C1,YOYRSDIZXSVIMH,YOYRSDIZXSVIMH-UHFFFAOYSA-N,"InChI=1S/C15H21NO2/c17-14(13-6-4-11-18-13)16-10-5-9-15(12-16)7-2-1-3-8-15/h4,6,11H,1-3,5,7-10,12H2","""AuxInfo=1/0/N:15,14,16,5,10,4,13,17,11,9,6,18,3,2,12,8,1,7/E:(2,3)(7,8)/rA:18OCCCCCONCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.810,5.81,0.0,0.0,1.0,5.81,0.0
-YPAACVDRGCUVKD_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3946940,Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1,YPAACVDRGCUVKD,YPAACVDRGCUVKD-UHFFFAOYSA-N,"InChI=1S/C24H20FN3O2/c1-14-2-3-15(13-27-14)10-23(29)17-6-9-19-20(16-4-7-18(25)8-5-16)12-22(24(26)30)28-21(19)11-17/h2-9,11-13,23,29H,10H2,1H3,(H2,26,30)","""AuxInfo=1/1/N:1,3,4,15,20,10,16,19,11,6,28,21,29,2,5,14,9,17,12,13,27,22,7,23,18,24,30,26,8,25/E:(4,5)(7,8)/rA:30CCCCCCCOCCCCCCCCCFCCCCCNONCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s7;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s5;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.850;  7.720,7.785,0.065,0.065,2.0,7.785,0.065
-YPCGRVYMABSMOQ_on_P41594_WT,Medium,ChEMBL30,CHEMBL446543,Cc1nc(C#Cc2cc(F)cc(C#N)c2)cs1,YPCGRVYMABSMOQ,YPCGRVYMABSMOQ-UHFFFAOYSA-N,"InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3","""AuxInfo=1/0/N:1,6,5,15,8,11,13,16,2,7,12,9,4,10,14,3,17/rA:17CCNCCCCCCFCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s12;t13;s7d12;d4;s2s16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-YPFIYPNOWVPAPR_on_O00591_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_O14764_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P14867_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P18505_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P18507_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P28472_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P31644_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P34903_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P47869_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P47870_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P48169_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_P78334_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_Q16445_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFIYPNOWVPAPR_on_Q99928_WT,Low,ChEMBL30,CHEMBL83597,CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2,YPFIYPNOWVPAPR,YPFIYPNOWVPAPR-UHFFFAOYSA-N,"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)","""AuxInfo=1/1/N:1,22,4,5,21,25,26,23,3,7,13,9,8,14,6,12,11,17,16,24,10,15,2,18,19,20/E:(25,26)/CRV:24.5/rA:26CNCCCCCCCNCCCCNCCN+OO-CCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s18;s17;d21;s22;s16d23;s14;s11d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  5.020,5.02,0.0,0.0,1.0,5.02,0.0
-YPFJBDRTBYDSSQ_on_P41594_WT,High,ChEMBL30,CHEMBL2071570,COc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1,YPFJBDRTBYDSSQ,YPFJBDRTBYDSSQ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3O3/c1-25-16-7-5-15(6-8-16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-3-2-4-14(20)9-12/h2-9,13H,10-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,5,25,4,26,19,22,8,13,9,17,6,3,23,12,10,18,11,20,7,24,2,21/E:(5,6)(7,8)/rA:26COCCCCNCCCNCCCCCCClCNOCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s17;s13d17;d12;s10s20;s9;s7s22;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072731,PMID:22832311,2012.0,PMID:22832311,2012,1,0,0,0,0,,=,  5.450,5.45,0.0,0.0,1.0,5.45,0.0
-YPHXROJGPSUIEQ_on_Q14416_WT,High,ChEMBL30,CHEMBL154542,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(C(=O)O)cc1)c2,YPHXROJGPSUIEQ,YPHXROJGPSUIEQ-UHFFFAOYSA-N,"InChI=1S/C23H22Cl2O4/c1-23(16-4-2-3-5-16)11-15-10-17(19(24)20(25)18(15)21(23)26)29-12-13-6-8-14(9-7-13)22(27)28/h6-10,16H,2-5,11-12H2,1H3,(H,27,28)","""AuxInfo=1/1/N:1,5,6,4,7,21,28,22,27,29,8,19,20,23,9,3,17,10,15,13,11,24,2,16,14,12,25,26,18/E:(2,3)(4,5)(6,7)(8,9)(27,28)/rA:29CCCCCCCCCCCOCClCClCOCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;d22;s23;d24;s24;s23;s20d27;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-YPIIDKJUZJKZGT_on_Q05586_WT,Medium,ChEMBL30,CHEMBL117940,Oc1nc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)[nH]1,YPIIDKJUZJKZGT,YPIIDKJUZJKZGT-UHFFFAOYSA-N,"InChI=1S/C23H25N3O/c27-23-24-21-10-9-19(17-22(21)25-23)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H2,24,25,27)","""AuxInfo=1/1/N:21,20,22,10,11,19,23,9,7,6,15,24,12,14,25,17,26,18,8,16,5,4,2,27,3,13,1/E:(2,3)(6,7)(11,12)(14,15)/rA:27OCNCCCCCCCCCNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s7;s8;t9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;s4d8;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747069;CHEMBL747072,PMID:10978188,2000.0,PMID:10978188,2000,1,0,0,0,0,,=,  4.410;  7.050,5.73,1.32,1.32,2.0,5.73,1.32
-YPJCXICTXBTTEW_on_Q12879_WT,Low,ChEMBL30,CHEMBL1760311,NC1(c2ccccc2Cl)CCCNC1=O,YPJCXICTXBTTEW,YPJCXICTXBTTEW-UHFFFAOYSA-N,"InChI=1S/C11H13ClN2O/c12-9-5-2-1-4-8(9)11(13)6-3-7-14-10(11)15/h1-2,4-5H,3,6-7,13H2,(H,14,15)","""AuxInfo=1/1/N:5,6,11,4,7,10,12,3,8,14,2,9,1,13,15/rA:15NCCCCCCCClCCCNCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s2s13;d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YPJCXICTXBTTEW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1760311,NC1(c2ccccc2Cl)CCCNC1=O,YPJCXICTXBTTEW,YPJCXICTXBTTEW-UHFFFAOYSA-N,"InChI=1S/C11H13ClN2O/c12-9-5-2-1-4-8(9)11(13)6-3-7-14-10(11)15/h1-2,4-5H,3,6-7,13H2,(H,14,15)","""AuxInfo=1/1/N:5,6,11,4,7,10,12,3,8,14,2,9,1,13,15/rA:15NCCCCCCCClCCCNCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s2;s10;s11;s12;s2s13;d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159,PMID:21334205,2011.0,PMID:21334205,2011,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YPKWTHRFOIWXKW_on_P41594_WT,High,ChEMBL30,CHEMBL1682817,N#Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1,YPKWTHRFOIWXKW,YPKWTHRFOIWXKW-UHFFFAOYSA-N,"InChI=1S/C17H13NO3/c18-10-12-2-1-3-13(8-12)11-21-14-4-5-15-16(19)6-7-20-17(15)9-14/h1-5,8-9H,6-7,11H2","""AuxInfo=1/0/N:5,4,6,11,12,16,17,21,20,2,8,3,7,10,13,14,19,1,15,18,9/rA:21NCCCCCCCOCCCCCOCCOCCC/rB:t1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s11;d12;s13;d14;s14;s16;s17;s13s18;s10d19;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.530;  6.530,6.53,0.0,0.0,2.0,6.53,0.0
-YPMDNNFKKMCGMN_on_Q14833_WT,Low,ChEMBL30,CHEMBL1209434,CS(=O)(=O)Nc1nccc(C=Cc2ccccc2)n1,YPMDNNFKKMCGMN,YPMDNNFKKMCGMN-UHFFFAOYSA-N,"InChI=1S/C13H13N3O2S/c1-19(17,18)16-13-14-10-9-12(15-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,15,16)","""AuxInfo=1/1/N:1,16,15,17,14,18,12,11,9,8,13,10,6,7,19,5,3,4,2/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19CSOONCNCCCCCCCCCCCN/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;w?11;s12;d13;s14;d15;s16;s13d17;s6d10;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-YPMPXTNHHUWHLS_on_P41594_WT,High,ChEMBL30,CHEMBL3600431,Cc1ccc(Nc2c(Cl)cc(C3CCCN3C(=O)c3nccs3)cn2)cn1,YPMPXTNHHUWHLS,YPMPXTNHHUWHLS-UHFFFAOYSA-N,"InChI=1S/C19H18ClN5OS/c1-12-4-5-14(11-22-12)24-17-15(20)9-13(10-23-17)16-3-2-7-25(16)19(26)18-21-6-8-27-18/h4-6,8-11,16H,2-3,7H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,14,13,3,4,21,15,22,10,24,26,2,11,5,8,12,7,19,17,9,20,27,25,6,16,18,23/rA:27CCCCCNCCClCCCCCCNCOCNCCSCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s12s15;s16;d17;s17;d19;s20;d21;s19s22;s11;s7d24;s5;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-YPPUNSNGRWFNJB_on_P41594_WT,High,ChEMBL30,CHEMBL564166,CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,YPPUNSNGRWFNJB,YPPUNSNGRWFNJB-UHFFFAOYSA-N,"InChI=1S/C20H20N2O/c1-21-13-15-22(16-14-21)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12H,13-16H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,10,20,9,21,3,23,4,22,14,11,8,6,2,5,7/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:23CNCCNCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s5;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756,PMID:19443216,2009.0,PMID:19443216,2009,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-YPSXMRXGWLRDPT_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545804;CHEMBL3085792,CCOC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2,YPSXMRXGWLRDPT,YPSXMRXGWLRDPT-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-3-23-18(21)20-16-7-8-17(20)13-19(22,12-16)10-9-15-6-4-5-14(2)11-15/h4-6,11,16-17,22H,3,7-8,12-13H2,1-2H3","""AuxInfo=1/0/N:1,21,2,18,19,17,8,9,15,14,22,23,11,20,16,7,10,4,12,6,5,13,3/E:(7,8)(12,13)(16,17)/rA:23CCOCONCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;s11;s12;s12;t14;s15;d16;s17;d18;s19;s20;s16d20;s7s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  7.321;  7.320,7.321000000000001,0.0,0.0,2.0,7.321000000000001,0.0
-YPTLSGJVECLVDH_on_P41594_WT,Low,ChEMBL30,CHEMBL399127,Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1,YPTLSGJVECLVDH,YPTLSGJVECLVDH-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2N4O/c1-11-22-17-16(10-21-24(17)15-8-4-13(20)5-9-15)18(25)23(11)14-6-2-12(19)3-7-14/h2-10H,1H3","""AuxInfo=1/0/N:1,21,24,11,14,20,25,10,15,6,2,22,12,19,9,5,4,16,23,13,7,3,18,8,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25CCNCCCNNCCCCClCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s12;s9d14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YPTLSGJVECLVDH_on_Q13255_WT,High,ChEMBL30,CHEMBL399127,Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1,YPTLSGJVECLVDH,YPTLSGJVECLVDH-UHFFFAOYSA-N,"InChI=1S/C18H12Cl2N4O/c1-11-22-17-16(10-21-24(17)15-8-4-13(20)5-9-15)18(25)23(11)14-6-2-12(19)3-7-14/h2-10H,1H3","""AuxInfo=1/0/N:1,21,24,11,14,20,25,10,15,6,2,22,12,19,9,5,4,16,23,13,7,3,18,8,17/E:(2,3)(4,5)(6,7)(8,9)/rA:25CCNCCCNNCCCCClCCCONCCCCClCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;d9;s10;d11;s12;s12;s9d14;s5;d16;s2s16;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-YPUQYQDIGYVJSA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL374167;11552320,CC(C)c1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,YPUQYQDIGYVJSA,YPUQYQDIGYVJSA-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-12(2)13-5-7-14(8-6-13)24-11-22-17-16-15(23(3)4)9-10-21-19(16)26-18(17)20(24)25/h5-12H,1-4H3","""AuxInfo=1/0/N:1,3,18,19,5,26,6,25,20,21,9,2,4,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(1,2)(3,4)(5,6)(7,8)/rA:26CCCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;s7;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420;PubChemAID:282966,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282966,2005;2010,1;0,0,0,0,0;1,,=,  5.450;  5.451,5.45,0.0,0.0,2.0,5.45,0.0
-YPUQYQDIGYVJSA_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL374167;11552320,CC(C)c1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1,YPUQYQDIGYVJSA,YPUQYQDIGYVJSA-UHFFFAOYSA-N,"InChI=1S/C20H20N4OS/c1-12(2)13-5-7-14(8-6-13)24-11-22-17-16-15(23(3)4)9-10-21-19(16)26-18(17)20(24)25/h5-12H,1-4H3","""AuxInfo=1/0/N:1,3,18,19,5,26,6,25,20,21,9,2,4,7,16,15,11,12,14,23,22,10,17,8,24,13/E:(1,2)(3,4)(5,6)(7,8)/rA:26CCCCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;s13;s11d14;s15;s16;s17;s17;d16;s20;s14d21;s8s12;d23;s7;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419;PubChemAID:282965,PMID:16279797,2005.0,PMID:16279797;PubChemAID:282965,2005;2010,1;0,0,0,0,0;1,,=,  6.390;  6.390,6.39,0.0,0.0,2.0,6.39,0.0
-YPXSPUHODUFBPX_on_P41594_WT,Medium,ChEMBL30,CHEMBL365682,Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cncnc2)c1,YPXSPUHODUFBPX,YPXSPUHODUFBPX-UHFFFAOYSA-N,InChI=1S/C16H10FN7/c17-13-5-11(12-8-18-10-19-9-12)6-14(7-13)24-22-16(21-23-24)15-3-1-2-4-20-15/h1-10H,"""AuxInfo=1/0/N:13,12,14,11,24,16,3,19,23,21,17,18,2,4,9,8,1,20,22,10,7,15,6,5/E:(8,9)(18,19)/rA:24FCCCNNNCCNCCCCNCCCCNCNCC/rB:s1;d2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;s5d8;d4;s16;s17;d18;s19;d20;s21;s18d22;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-YPYRUNYMDILNQG_on_P41594_WT,High,ChEMBL30,CHEMBL2346714,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cc(Cl)ccn1,YPYRUNYMDILNQG,YPYRUNYMDILNQG-UHFFFAOYSA-N,"InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-9-12(18)7-8-20-14)22-23(2)16(10)11-3-5-13(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)","""AuxInfo=1/1/N:1,12,5,10,6,9,22,23,19,2,4,20,7,18,14,3,15,21,8,24,17,13,11,16/E:(3,4)(5,6)/rA:24CCCCCCCFCCNCNCCONCCCClCCN/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;s20;d20;s22;s18d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-YPZIPBHZKFBGAN_on_P41594_WT,High,ChEMBL30,CHEMBL201827,O=C(NC1=NC(=O)C2CCCN12)Nc1cccc(Cl)c1,YPZIPBHZKFBGAN,YPZIPBHZKFBGAN-UHFFFAOYSA-N,"InChI=1S/C13H13ClN4O2/c14-8-3-1-4-9(7-8)15-13(20)17-12-16-11(19)10-5-2-6-18(10)12/h1,3-4,7,10H,2,5-6H2,(H2,15,16,17,19,20)","""AuxInfo=1/1/N:16,10,17,15,9,11,20,18,14,8,6,4,2,19,13,5,3,12,7,1/rA:20OCNCNCOCCCCNNCCCCCClC/rB:d1;s2;s3;w?4;s5;d6;s6;s8;s9;s10;s4s8s11;s2;s13;d14;s15;d16;s17;s18;s14d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-YQBPEFYDKGHACA_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL395388;11200691,O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cc(F)cc2)C1=O)c1ccccn1,YQBPEFYDKGHACA,YQBPEFYDKGHACA-UHFFFAOYSA-N,"InChI=1S/C21H13ClFN3O3/c22-13-4-7-17(25-19(27)18-3-1-2-8-24-18)12(9-13)11-26-20(28)15-6-5-14(23)10-16(15)21(26)29/h1-10H,11H2,(H,25,27)","""AuxInfo=1/1/N:26,27,25,6,20,21,5,28,9,17,11,10,7,18,15,16,4,24,2,13,22,8,19,29,3,12,1,14,23/rA:29OCNCCCCClCCCNCOCCCCFCCCOCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s18;s15d20;s12s16;d22;s2;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL903194;PubChemAID:305981,PMID:17210250,2007.0,PMID:17210250;PubChemAID:305981,2007;2010,0,1;0,0,0,0;1,,=,  6.480;  6.481,6.481,0.0,0.0,2.0,6.481,0.0
-YQEZLKZALYSWHR_on_O15399_WT,Low,ChEMBL30,CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL4687810;CHEMBL4401966;CHEMBL761030;CHEMBL4687797,PMID:9464369,1998.0,PMID:32915563;PMID:30792105;PMID:9464369;PMID:32915563,2020;2019;1998;2020,0,0,0,1,0,,=,  6.750;  5.720;  6.380;  6.750,6.4,0.42100000000000004,0.243,4.0,6.565,0.185
-YQEZLKZALYSWHR_on_O60391_WT,Low,ChEMBL30,CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL761030;CHEMBL4401966;CHEMBL4687810;CHEMBL4687797,PMID:9464369,1998.0,PMID:9464369;PMID:30792105;PMID:32915563;PMID:32915563,1998;2019;2020;2020,0,0,0,1,0,,=,  6.380;  5.720;  6.750;  6.750,6.4,0.42100000000000004,0.243,4.0,6.565,0.185
-YQEZLKZALYSWHR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL4401966;CHEMBL4687797;CHEMBL4687810;CHEMBL761030,PMID:9464369,1998.0,PMID:30792105;PMID:32915563;PMID:32915563;PMID:9464369,2019;2020;2020;1998,0,0,0,1,0,,=,  5.720;  6.750;  6.750;  6.380,6.4,0.42100000000000004,0.243,4.0,6.565,0.185
-YQEZLKZALYSWHR_on_Q05586_WT,Low,ChEMBL30,CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL395091;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1764160;CHEMBL4687810;CHEMBL1764159;CHEMBL3242673;CHEMBL4687811;CHEMBL3636231;CHEMBL4687797;CHEMBL4401966;CHEMBL1105653;CHEMBL761030;CHEMBL1105655,PMID:9464369,1998.0,PMID:21334205;PMID:32915563;PMID:21334205;PMID:24630693;PMID:32915563;PMID:26430967;PMID:32915563;PMID:30792105;PMID:20361801;PMID:9464369;PMID:20361801,2011;2020;2011;2014;2020;2015;2020;2019;2010;1998;2010,1;0;1;1;0;1;0;0;1;0;1,0,0,0;1;0;0;1;0;1;1;0;1;0,0,,=,  5.900;  6.750;  5.300;  5.480;  6.750;  7.940;  6.750;  5.720;  5.210;  6.380;  5.500,6.153,0.8009999999999999,0.253,11.0,5.9,0.6
-YQEZLKZALYSWHR_on_Q12879_WT,Low,ChEMBL30,CHEMBL742;CHEMBL742;CHEMBL395091;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742;CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1764160;CHEMBL1105653;CHEMBL3636231;CHEMBL3242673;CHEMBL4687811;CHEMBL4401966;CHEMBL761030;CHEMBL4687810;CHEMBL4687797,PMID:9464369,1998.0,PMID:21334205;PMID:20361801;PMID:26430967;PMID:24630693;PMID:32915563;PMID:30792105;PMID:9464369;PMID:32915563;PMID:32915563,2011;2010;2015;2014;2020;2019;1998;2020;2020,1;1;1;1;0;0;0;0;0,0,0,0;0;0;0;1;1;1;1;1,0,,=,  5.900;  5.210;  7.940;  5.480;  6.750;  5.720;  6.380;  6.750;  6.750,6.32,0.7929999999999999,0.28,9.0,6.38,0.48
-YQEZLKZALYSWHR_on_Q13224_WT,Low,ChEMBL30,CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1764159;CHEMBL1105655;CHEMBL4687810;CHEMBL4401966;CHEMBL761030;CHEMBL4687797,PMID:9464369,1998.0,PMID:21334205;PMID:20361801;PMID:32915563;PMID:30792105;PMID:9464369;PMID:32915563,2011;2010;2020;2019;1998;2020,1;1;0;0;0;0,0,0,0;0;1;1;1;1,0,,=,  5.300;  5.500;  6.750;  5.720;  6.380;  6.750,6.067,0.586,0.262,6.0,6.05,0.625
-YQEZLKZALYSWHR_on_Q14957_WT,Low,ChEMBL30,CHEMBL742,CNC1(c2c(Cl)cccc2)CCCCC1=O,YQEZLKZALYSWHR,YQEZLKZALYSWHR-UHFFFAOYSA-N,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3","""AuxInfo=1/0/N:1,9,8,13,12,10,7,14,11,4,5,15,3,6,2,16/rA:16CNCCCClCCCCCCCCCO/rB:s1;s2;s3;d4;s5;s5;d7;s8;s4d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL4687797;CHEMBL4401966;CHEMBL4687810;CHEMBL761030,PMID:9464369,1998.0,PMID:32915563;PMID:30792105;PMID:32915563;PMID:9464369,2020;2019;2020;1998,0,0,0,1,0,,=,  6.750;  5.720;  6.750;  6.380,6.4,0.42100000000000004,0.243,4.0,6.565,0.185
-YQFYIHPLHNEXNE_on_P41594_WT,High,ChEMBL30,CHEMBL2346725,Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)cc3)c(C)n2)ccc1,YQFYIHPLHNEXNE,YQFYIHPLHNEXNE-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)","""AuxInfo=1/1/N:1,10,20,23,24,22,14,17,13,18,2,9,19,15,12,4,8,6,16,3,21,5,11,7/E:(7,8)(9,10)/rA:24CCNCNCOCCCNCCCCFCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s8d19;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-YQHGSFFPDDIVIK_on_O15399_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_O60391_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_Q05586_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_Q12879_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_Q13224_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQHGSFFPDDIVIK_on_Q14957_WT,Low,ChEMBL30,CHEMBL1626818,N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1,YQHGSFFPDDIVIK,YQHGSFFPDDIVIK-UHFFFAOYSA-N,"InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)","""AuxInfo=1/1/N:8,15,9,14,6,7,10,2,1,3,5,4,11,12,13/E:(1,2)(3,4)(9,10)(14,15)/CRV:13.5/rA:15NCNNNCCCCCN+OO-CC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;d11;s11;s10;s7d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.110,4.11,0.0,0.0,1.0,4.11,0.0
-YQLODSOBLZJRDT_on_P41594_WT,High,ChEMBL30,CHEMBL2426611,O=C1c2c(CCN1c1ncc(F)cc1)nc(COc1ccccc1)s2,YQLODSOBLZJRDT,YQLODSOBLZJRDT-UHFFFAOYSA-N,"InChI=1S/C18H14FN3O2S/c19-12-6-7-15(20-10-12)22-9-8-14-17(18(22)23)25-16(21-14)11-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","""AuxInfo=1/0/N:22,21,23,20,24,13,14,5,6,10,17,11,19,4,8,16,3,2,12,9,15,7,1,18,25/E:(2,3)(4,5)/rA:25OCCCCCNCNCCFCCNCCOCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  6.210;  6.210,6.21,0.0,0.0,2.0,6.21,0.0
-YQOGQABYYVWKJN_on_P41594_WT,Low,ChEMBL30,CHEMBL1784064,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O,YQOGQABYYVWKJN,YQOGQABYYVWKJN-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS2/c1-10(2)6-20-17-14-15-16(28-18(14)22-7-21-17)19(26)25(8-23-15)11-3-4-12-13(5-11)27-9-24-12/h3-5,7-9H,1,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,19,20,26,4,10,16,23,2,18,21,25,7,14,13,6,8,27,5,11,9,15,22,17,28,24,12/rA:28CCCCNCCCNCNSCCNCNCCCCNCSCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YQOGQABYYVWKJN_on_Q13255_WT,High,ChEMBL30,CHEMBL1784064,C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O,YQOGQABYYVWKJN,YQOGQABYYVWKJN-UHFFFAOYSA-N,"InChI=1S/C19H14N6OS2/c1-10(2)6-20-17-14-15-16(28-18(14)22-7-21-17)19(26)25(8-23-15)11-3-4-12-13(5-11)27-9-24-12/h3-5,7-9H,1,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,3,19,20,26,4,10,16,23,2,18,21,25,7,14,13,6,8,27,5,11,9,15,22,17,28,24,12/rA:28CCCCNCCCNCNSCCNCNCCCCNCSCCCO/rB:d1;s2;s2;s4;s5;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;d22;s23;s21s24;s18d25;s13s17;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-YQPJXCLRHIEFMZ_on_P41594_WT,Low,ChEMBL30,CHEMBL3603911,COc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1,YQPJXCLRHIEFMZ,YQPJXCLRHIEFMZ-UHFFFAOYSA-N,"InChI=1S/C14H11FN4O/c1-20-12-6-10(5-11(15)7-12)13-8-14(17-9-16-13)19-4-2-3-18-19/h2-9H,1H3","""AuxInfo=1/0/N:1,14,15,13,7,20,4,10,18,8,5,3,9,11,6,19,17,16,12,2/rA:20COCCCFCCCCCNCCCNNCNC/rB:s1;s2;d3;s4;s5;d5;s7;s8;d9;s10;s11;s12;d13;s14;s12d15;d11;s17;s9d18;s3d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566,PMID:26225459,2015.0,PMID:26225459,2015,0,0,0,1,0,,<,  4.200,4.2,0.0,0.0,1.0,4.2,0.0
-YQROZFHKSNZOEZ_on_Q13255_WT,High,ChEMBL30,CHEMBL3422892,N#Cc1c(NCc2cccc(F)c2)sc2c1CCN(C(=O)c1ccc(F)cc1)C2,YQROZFHKSNZOEZ,YQROZFHKSNZOEZ-UHFFFAOYSA-N,"InChI=1S/C22H17F2N3OS/c23-16-6-4-15(5-7-16)22(28)27-9-8-18-19(11-25)21(29-20(18)13-27)26-12-14-2-1-3-17(24)10-14/h1-7,10,26H,8-9,12-13H2","""AuxInfo=1/0/N:9,8,10,23,28,24,27,17,18,13,2,6,29,7,22,25,11,16,3,15,4,20,26,12,1,5,19,21,14/E:(4,5)(6,7)/rA:29NCCCNCCCCCCFCSCCCCNCOCCCCFCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s7d11;s4;s14;s3d15;s16;s17;s18;s19;d20;s20;d22;s23;d24;s25;s25;s22d27;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.620,5.62,0.0,0.0,1.0,5.62,0.0
-YQUPDDGFXHEPHO_on_Q14833_WT,High,ChEMBL30,CHEMBL4085967,COc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1,YQUPDDGFXHEPHO,YQUPDDGFXHEPHO-UHFFFAOYSA-N,"InChI=1S/C19H14N2O3/c1-23-14-6-7-18-15(9-14)16(21-22)10-19(24-18)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3","""AuxInfo=1/0/N:1,15,14,16,13,4,5,18,24,19,11,17,12,3,23,20,9,6,8,10,21,22,2,7/rA:24COCCCCOCCNCCCCCCCCCCNOCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;d8;s19;w?20;s21;s6s20;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-YQUVKLUHYCSEBE_on_Q14833_WT,High,ChEMBL30,CHEMBL1209741,Nc1nccc(C=Cc2cccs2)n1,YQUVKLUHYCSEBE,YQUVKLUHYCSEBE-UHFFFAOYSA-N,"InChI=1S/C10H9N3S/c11-10-12-6-5-8(13-10)3-4-9-2-1-7-14-9/h1-7H,(H2,11,12,13)","""AuxInfo=1/1/N:11,10,7,8,5,4,12,6,9,2,1,3,14,13/rA:14NCNCCCCCCCCCSN/rB:s1;d2;s3;d4;s5;s6;w?7;s8;d9;s10;d11;s9s12;s2d6;/rC:;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1211365,PMID:20638279,2010.0,PMID:20638279,2010,0,1,0,0,0,,=,  5.390,5.39,0.0,0.0,1.0,5.39,0.0
-YQVUTHVRNBLTKH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3947609,COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Br,YQVUTHVRNBLTKH,YQVUTHVRNBLTKH-UHFFFAOYSA-N,"InChI=1S/C21H22BrN3O2/c1-13-10-16(11-14(2)23-13)20-18-6-8-27-9-7-25(18)21(24-20)15-4-5-17(22)19(12-15)26-3/h4-5,10-12H,6-9H2,1-3H3","""AuxInfo=1/0/N:12,15,1,24,25,18,22,19,21,10,16,4,11,14,5,9,26,17,3,8,6,27,13,7,23,2,20/E:(1,2)(10,11)(13,14)/rA:27COCCCCNCCCCCNCCCCCCOCCNCCCBr/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;s11;d11;s13;s14;s9d14;d8;s17;s18;s19;s20;s21;s6s17s22;d5;s24;s3d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.500,7.5,0.0,0.0,1.0,7.5,0.0
-YQYRRRVQWIMSFP_on_P14867_WT,Low,ChEMBL30,CHEMBL206071,CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1,YQYRRRVQWIMSFP,YQYRRRVQWIMSFP-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,16,17,2,4,5,14,13,21,8,15,3,20,9,6,18,10,7,19,11,12/E:(2,3)/rA:21CCCCCCNCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s15;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-YQYRRRVQWIMSFP_on_P18505_WT,Low,ChEMBL30,CHEMBL206071,CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1,YQYRRRVQWIMSFP,YQYRRRVQWIMSFP-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,16,17,2,4,5,14,13,21,8,15,3,20,9,6,18,10,7,19,11,12/E:(2,3)/rA:21CCCCCCNCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s15;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  8.390,8.39,0.0,0.0,1.0,8.39,0.0
-YQYRRRVQWIMSFP_on_P18507_WT,Low,ChEMBL30,CHEMBL206071,CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1,YQYRRRVQWIMSFP,YQYRRRVQWIMSFP-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,16,17,2,4,5,14,13,21,8,15,3,20,9,6,18,10,7,19,11,12/E:(2,3)/rA:21CCCCCCNCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s15;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861816;CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.050;  8.390,7.72,0.67,0.67,2.0,7.72,0.67
-YQYRRRVQWIMSFP_on_P34903_WT,Low,ChEMBL30,CHEMBL206071,CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1,YQYRRRVQWIMSFP,YQYRRRVQWIMSFP-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,16,17,2,4,5,14,13,21,8,15,3,20,9,6,18,10,7,19,11,12/E:(2,3)/rA:21CCCCCCNCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s15;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-YQYRRRVQWIMSFP_on_P47870_WT,Low,ChEMBL30,CHEMBL206071,CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1,YQYRRRVQWIMSFP,YQYRRRVQWIMSFP-UHFFFAOYSA-N,"InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)","""AuxInfo=1/1/N:1,16,17,2,4,5,14,13,21,8,15,3,20,9,6,18,10,7,19,11,12/E:(2,3)/rA:21CCCCCCNCCCOOCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;s13;s14;s15;s15;d9;s18;s6s18;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL861816,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-YRCLAUUHWJIBCR_on_P41594_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,54585488;CHEMBL1779858;CHEMBL1779858,CC(C)N1CCc2c(ccc(C#Cc3ccccc3)n2)C1=O,YRCLAUUHWJIBCR,YRCLAUUHWJIBCR-UHFFFAOYSA-N,"InChI=1S/C19H18N2O/c1-14(2)21-13-12-18-17(19(21)22)11-10-16(20-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,19,13,12,10,9,6,5,2,14,11,8,7,21,20,4,22/E:(1,2)(4,5)(6,7)/rA:22CCCNCCCCCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;s10;s11;t12;s13;d14;s15;d16;s17;s14d18;s7d11;s4s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598490;CHEMBL1780498;CHEMBL1780494,PMID:21531137,2011.0,PubChemAID:598490;PMID:21531137;PMID:21531137,2012;2011;2011,0;0;1,0,0,0;1;0,1;0;0,,=,  6.151;  5.890;  6.150,6.064,0.12300000000000001,0.087,3.0,6.15,0.001
-YREGOSFUPFPQTJ_on_O15399_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_O60391_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREGOSFUPFPQTJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365738,N=C(N)NN=Cc1cc2c(cc1)[nH]cc2,YREGOSFUPFPQTJ,YREGOSFUPFPQTJ-UHFFFAOYSA-N,"InChI=1S/C10H11N5/c11-10(12)15-14-6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H4,11,12,15)","""AuxInfo=1/1/N:12,11,15,14,8,6,7,9,10,2,1,3,13,5,4/E:(11,12)/rA:15NCNNNCCCCCCCNCC/rB:d1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s10;s13;s9d14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YREOGTTULHMFSV_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771614,O=C(C1CCC1)N1CCCC(c2nc(-c3cccs3)no2)C1,YREOGTTULHMFSV,YREOGTTULHMFSV-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2S/c20-16(11-4-1-5-11)19-8-2-6-12(10-19)15-17-14(18-21-15)13-7-3-9-22-13/h3,7,9,11-12H,1-2,4-6,8,10H2","""AuxInfo=1/0/N:5,9,17,4,6,10,16,8,18,22,3,11,15,14,12,2,13,20,7,1,21,19/E:(4,5)/rA:22OCCCCCNCCCCCNCCCCCSNOC/rB:d1;s2;s3;s4;s3s5;s2;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s15s18;d14;s12s20;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772561,PMID:21183344,2011.0,PMID:21183344,2011,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-YRMBUFSMIPFEGY_on_P41594_WT,High,ChEMBL30,CHEMBL2151475,O=C(c1ccc(F)c(F)c1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1,YRMBUFSMIPFEGY,YRMBUFSMIPFEGY-UHFFFAOYSA-N,"InChI=1S/C18H12F3N3O2/c19-13-3-1-2-10(6-13)16-22-17(26-23-16)12-8-24(9-12)18(25)11-4-5-14(20)15(21)7-11/h1-7,12H,8-9H2","""AuxInfo=1/0/N:22,23,21,4,5,18,10,12,26,17,3,13,19,6,8,16,14,2,20,7,9,15,24,11,1,25/E:(8,9)/rA:26OCCCCCFCFCNCCCNCCCCFCCCNOC/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;d14;s15;s16;d17;s18;s19;d19;s21;s17d22;d16;s14s24;s11s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-YRMMDRYFJOUBOL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2419158,CC(CCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,YRMMDRYFJOUBOL,YRMMDRYFJOUBOL-UHFFFAOYSA-N,"InChI=1S/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,16,18-22,25-26H,4-5,7-15H2,1-3H3","""AuxInfo=1/0/N:1,21,26,4,3,13,12,8,9,18,23,19,24,5,15,2,14,16,11,7,10,22,20,25,6,17/rA:26CCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s10;s11;s12;w?13;s14;s15;s16;s16;s18;s14s19;s20;s11s20;s22;s23;s7s10s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL4408248,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-YRMMDRYFJOUBOL_on_Q12879_WT,Low,ChEMBL30,CHEMBL2419158,CC(CCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,YRMMDRYFJOUBOL,YRMMDRYFJOUBOL-UHFFFAOYSA-N,"InChI=1S/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,16,18-22,25-26H,4-5,7-15H2,1-3H3","""AuxInfo=1/0/N:1,21,26,4,3,13,12,8,9,18,23,19,24,5,15,2,14,16,11,7,10,22,20,25,6,17/rA:26CCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s10;s11;s12;w?13;s14;s15;s16;s16;s18;s14s19;s20;s11s20;s22;s23;s7s10s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL4408248,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-YRMMDRYFJOUBOL_on_Q13224_WT,Low,ChEMBL30,CHEMBL2419158,CC(CCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,YRMMDRYFJOUBOL,YRMMDRYFJOUBOL-UHFFFAOYSA-N,"InChI=1S/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,16,18-22,25-26H,4-5,7-15H2,1-3H3","""AuxInfo=1/0/N:1,21,26,4,3,13,12,8,9,18,23,19,24,5,15,2,14,16,11,7,10,22,20,25,6,17/rA:26CCCCCOCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;s9;s10;s11;s12;w?13;s14;s15;s16;s16;s18;s14s19;s20;s11s20;s22;s23;s7s10s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4408250,PMID:31390523,2019.0,PMID:31390523,2019,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YRMYVTSTOWPARF_on_O14764_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-YRMYVTSTOWPARF_on_P14867_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-YRMYVTSTOWPARF_on_P18507_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-YRMYVTSTOWPARF_on_P28472_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-YRMYVTSTOWPARF_on_P47870_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-YRMYVTSTOWPARF_on_P48169_WT,Low,ChEMBL30,CHEMBL4085062,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1,YRMYVTSTOWPARF,YRMYVTSTOWPARF-UHFFFAOYSA-N,"InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,27,26,5,12,4,13,29,24,21,19,7,22,6,11,10,28,16,17,2,14,23,25,20,18,3/rA:29CCOCCCCCCCCCCCCCCOCNCCClCNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s22;s20d24;s16;s26;s10s14s27;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-YROXVKHBKVGRAL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257768,CNCc1cn(CC(=O)Nc2c(C(=O)NC)c3c(CCCC3)s2)nc1C(F)(F)F,YROXVKHBKVGRAL,YROXVKHBKVGRAL-UHFFFAOYSA-N,"InChI=1S/C18H22F3N5O2S/c1-22-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(28)23-2)11-5-3-4-6-12(11)29-17/h8,22H,3-7,9H2,1-2H3,(H,23,28)(H,24,27)","""AuxInfo=1/1/N:1,16,21,20,22,19,3,5,7,4,17,18,8,12,25,13,11,26,27,28,29,2,15,10,24,6,9,14,23/E:(19,20,21)/rA:29CNCCCNCCONCCCONCCCCCCCSNCCFFF/rB:s1;s2;s3;d4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s13;s15;s12;d17;s18;s19;s20;s17s21;s11s18;s6;s4d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-YRPCFFCLKOBWPY_on_P31644_WT,High,ChEMBL30,CHEMBL3676421,Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)cn2)no1,YRPCFFCLKOBWPY,YRPCFFCLKOBWPY-UHFFFAOYSA-N,"InChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,8,23,22,7,18,26,4,13,2,9,24,3,21,6,20,10,14,25,15,16,17,27,19,12,28,11,5,29/E:(20,21,22)/rA:29CCCCOCCCCCONCCFFFCNCCCCCFCNNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s14;s14;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  9.520,9.52,0.0,0.0,1.0,9.52,0.0
-YRRAGWMKWZMPSC_on_O00591_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_O14764_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P14867_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P18505_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P18507_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P28472_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P31644_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P34903_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P47869_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P47870_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P48169_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_P78334_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_Q16445_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRRAGWMKWZMPSC_on_Q99928_WT,Low,ChEMBL30,CHEMBL284226,CCC1(Cc2ccccc2)CCCNC1=O,YRRAGWMKWZMPSC,YRRAGWMKWZMPSC-UHFFFAOYSA-N,"InChI=1S/C14H19NO/c1-2-14(9-6-10-15-13(14)16)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,16)","""AuxInfo=1/1/N:1,2,8,7,9,12,6,10,11,13,4,5,15,3,14,16/E:(4,5)(7,8)/rA:16CCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s5d9;s3;s11;s12;s13;s3s14;d15;/rC:;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL680338,PMID:11170622,2001.0,PMID:11170622,2001,1,0,0,0,0,,=,  3.312,3.312,0.0,0.0,1.0,3.312,0.0
-YRSOFPUWHPWSCI_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779853;CHEMBL1779853;54587484,CN1CCc2c(ccc(C#Cc3ccc(Cl)cc3)n2)C1=O,YRSOFPUWHPWSCI,YRSOFPUWHPWSCI-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O/c1-20-11-10-16-15(17(20)21)9-8-14(19-16)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,8-9H,10-11H2,1H3","""AuxInfo=1/0/N:1,13,18,11,14,17,10,8,7,4,3,12,15,9,6,5,20,16,19,2,21/E:(2,3)(5,6)/rA:21CNCCCCCCCCCCCCCClCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s5d9;s2s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780494;CHEMBL1780498;PubChemAID:598490,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598490,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  6.450;  5.210;  6.453,6.037999999999999,0.585,0.414,3.0,6.45,0.003
-YRSQMMADIJTLEO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3950507,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(N)=O)cc2n1,YRSQMMADIJTLEO,YRSQMMADIJTLEO-UHFFFAOYSA-N,"InChI=1S/C22H21FN4O2/c23-15-6-4-14(5-7-15)17-11-19(21(24)28)26-18-10-13(3-8-16(17)18)12-27-9-1-2-20(27)22(25)29/h3-8,10-11,20H,1-2,9,12H2,(H2,24,28)(H2,25,29)","""AuxInfo=1/1/N:21,22,16,8,13,9,12,15,20,27,5,18,17,7,10,14,6,28,4,23,2,24,11,1,25,29,19,3,26/E:(4,5)(6,7)/rA:29NCOCCCCCCCFCCCCCCCNCCCCCNOCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s19s22;s23;s24;d24;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-YRTJBUGCGGXTRV_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269125,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1,YRTJBUGCGGXTRV,YRTJBUGCGGXTRV-UHFFFAOYSA-N,"InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)","""AuxInfo=1/1/N:22,35,21,23,34,36,7,8,3,12,20,24,33,37,30,38,29,39,2,6,9,4,11,13,18,19,32,31,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)(15,16)(17,18)/rA:39NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;d28;s29;d30;s31;d32;s33;d34;s35;s32d36;s31;s28d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-YRTJBUGCGGXTRV_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269125,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1,YRTJBUGCGGXTRV,YRTJBUGCGGXTRV-UHFFFAOYSA-N,"InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)","""AuxInfo=1/1/N:22,35,21,23,34,36,7,8,3,12,20,24,33,37,30,38,29,39,2,6,9,4,11,13,18,19,32,31,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)(15,16)(17,18)/rA:39NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;d28;s29;d30;s31;d32;s33;d34;s35;s32d36;s31;s28d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.840,5.84,0.0,0.0,1.0,5.84,0.0
-YRTJBUGCGGXTRV_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1269125,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1,YRTJBUGCGGXTRV,YRTJBUGCGGXTRV-UHFFFAOYSA-N,"InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)","""AuxInfo=1/1/N:22,35,21,23,34,36,7,8,3,12,20,24,33,37,30,38,29,39,2,6,9,4,11,13,18,19,32,31,28,17,26,15,1,5,10,14,25,27,16/E:(3,4)(5,6)(11,12)(13,14)(15,16)(17,18)/rA:39NCCCNCCCCNCCCNCOCCCCCCCCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;d28;s29;d30;s31;d32;s33;d34;s35;s32d36;s31;s28d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-YRTMNSNXHYTZJL_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2205376;57881945,COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)c(C)c1,YRTMNSNXHYTZJL,YRTMNSNXHYTZJL-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2S/c1-10-7-11(25-4)5-6-12(10)23-9-21-14-13-16(22(2)3)19-8-20-17(13)26-15(14)18(23)24/h5-9H,1-4H3","""AuxInfo=1/0/N:25,17,18,1,4,5,26,20,8,24,3,6,14,10,11,15,13,22,19,21,9,16,7,23,2,12/E:(2,3)/rA:26COCCCCNCNCCSCCCNCCNCNCOCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s6;s24;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246;PubChemAID:717243,PMID:23084894,2012.0,PMID:23084894;PubChemAID:717243,2012;2013,1;0,0,0,0,0;1,,=,  7.820;  7.824,7.822,0.002,0.002,2.0,7.822,0.002
-YRTXJHRXGRMPOL_on_P41594_WT,High,ChEMBL30,CHEMBL2071578,O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)c(Cl)c1,YRTXJHRXGRMPOL,YRTXJHRXGRMPOL-UHFFFAOYSA-N,"InChI=1S/C18H12Cl3N3O2/c19-12-3-1-2-10(6-12)17-22-18(26-23-17)11-7-16(25)24(9-11)13-4-5-14(20)15(21)8-13/h1-6,8,11H,7,9H2","""AuxInfo=1/0/N:10,9,11,20,21,14,3,26,17,8,4,12,19,22,24,2,7,5,13,23,25,6,15,18,1,16/rA:26OCCCCNCCCCCCClCNOCNCCCCClCClC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s8d12;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s24;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-YRUBZMJUTFFYRW_on_P18507_WT,Low,ChEMBL30,CHEMBL44784,CN1Cc2c(CCl)ncn2-c2c(cc(Cl)cc2)C1=O,YRUBZMJUTFFYRW,YRUBZMJUTFFYRW-UHFFFAOYSA-N,"InChI=1S/C13H11Cl2N3O/c1-17-6-12-10(5-14)16-7-18(12)11-3-2-8(15)4-9(11)13(17)19/h2-4,7H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,13,6,3,9,14,12,5,11,4,18,7,15,8,2,10,19/rA:19CNCCCCClNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;d13;s14;s14;s11d16;s2s12;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-YRUBZMJUTFFYRW_on_P28472_WT,Low,ChEMBL30,CHEMBL44784,CN1Cc2c(CCl)ncn2-c2c(cc(Cl)cc2)C1=O,YRUBZMJUTFFYRW,YRUBZMJUTFFYRW-UHFFFAOYSA-N,"InChI=1S/C13H11Cl2N3O/c1-17-6-12-10(5-14)16-7-18(12)11-3-2-8(15)4-9(11)13(17)19/h2-4,7H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,13,6,3,9,14,12,5,11,4,18,7,15,8,2,10,19/rA:19CNCCCCClNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;d13;s14;s14;s11d16;s2s12;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-YRUBZMJUTFFYRW_on_P31644_WT,Low,ChEMBL30,CHEMBL44784,CN1Cc2c(CCl)ncn2-c2c(cc(Cl)cc2)C1=O,YRUBZMJUTFFYRW,YRUBZMJUTFFYRW-UHFFFAOYSA-N,"InChI=1S/C13H11Cl2N3O/c1-17-6-12-10(5-14)16-7-18(12)11-3-2-8(15)4-9(11)13(17)19/h2-4,7H,5-6H2,1H3","""AuxInfo=1/0/N:1,16,17,13,6,3,9,14,12,5,11,4,18,7,15,8,2,10,19/rA:19CNCCCCClNCNCCCCClCCCO/rB:s1;s2;s3;d4;s5;s6;s5;d8;s4s9;s10;d11;s12;d13;s14;s14;s11d16;s2s12;d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685338;CHEMBL681480,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.540;  7.540,7.54,0.0,0.0,2.0,7.54,0.0
-YRVOZPHTTGKVKP_on_P41594_WT,Medium,ChEMBL30,CHEMBL3933176,N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc(F)c1,YRVOZPHTTGKVKP,YRVOZPHTTGKVKP-UHFFFAOYSA-N,"InChI=1S/C21H17FN4O2/c22-17-9-15(12-23)8-16(10-17)21(27)25-6-7-26-19(13-25)11-18(24-26)14-28-20-4-2-1-3-5-20/h1-5,8-11H,6-7,13-14H2","""AuxInfo=1/0/N:19,18,20,17,21,9,10,4,28,25,22,2,24,14,3,5,26,13,23,16,6,27,1,12,8,11,7,15/E:(2,3)(4,5)/rA:28NCCCCCONCCNNCCOCCCCCCCCCCCFC/rB:t1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s13;s11d22;s8s23;d5;s25;s26;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-YRWBRCCFFGCCBU_on_P31644_WT,High,ChEMBL30,CHEMBL3681628,O=C(NC1CCCC1O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1,YRWBRCCFFGCCBU,YRWBRCCFFGCCBU-UHFFFAOYSA-N,"InChI=1S/C21H20ClN3O4/c22-16-7-4-13(5-8-16)20-15(12-29-25-20)11-28-19-9-6-14(10-23-19)21(27)24-17-2-1-3-18(17)26/h4-10,12,17-18,26H,1-3,11H2,(H,24,27)","""AuxInfo=1/1/N:6,5,7,22,27,11,23,26,12,29,15,17,21,10,16,24,4,8,13,20,2,25,28,3,19,9,1,14,18/E:(4,5)(7,8)/rA:29OCNCCCCCOCCCCOCCCONCCCCCClCCNC/rB:d1;s2;s3;s4;s5;s6;s4s7;s8;s2;d10;s11;d12;s13;s14;s15;d16;s17;s18;s16d19;s20;d21;s22;d23;s24;s24;s21d26;s13;s10d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.100,8.1,0.0,0.0,1.0,8.1,0.0
-YRWUSEBLZMIHLV_on_Q14416_WT,High,ChEMBL30,CHEMBL3337506,CC(C)CCn1ccc(N2CCN(c3ccccn3)CC2)c(C#N)c1=O,YRWUSEBLZMIHLV,YRWUSEBLZMIHLV-UHFFFAOYSA-N,"InChI=1S/C20H25N5O/c1-16(2)6-9-25-10-7-18(17(15-21)20(25)26)23-11-13-24(14-12-23)19-5-3-4-8-22-19/h3-5,7-8,10,16H,6,9,11-14H2,1-2H3","""AuxInfo=1/0/N:1,3,16,17,15,4,8,18,5,7,11,21,12,20,23,2,22,9,14,25,24,19,10,13,6,26/E:(1,2)(11,12)(13,14)/rA:26CCCCCNCCCNCCNCCCCCNCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s13;s10s20;d9;s22;t23;s6s22;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  5.510,5.51,0.0,0.0,1.0,5.51,0.0
-YRZDAKBPGIMLEY_on_Q14416_WT,High,ChEMBL30,CHEMBL4077609,OC1CCC(Oc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1,YRZDAKBPGIMLEY,YRZDAKBPGIMLEY-UHFFFAOYSA-N,"InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2","""AuxInfo=1/0/N:24,25,29,3,32,4,31,30,28,27,22,10,23,11,2,5,12,8,7,21,13,18,14,9,15,16,17,20,19,26,1,6/E:(1,2)(4,5)(6,7)(25,26,27)/rA:32OCCCCOCCClCCCCCFFFCNNCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s8;d10;s11;d12;s13;s14;s14;s14;s13;d18;s19;d20;s21;s22;s23;s23s24;s18s21;s26;s12d27;s11;s7d29;s5;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040508;CHEMBL4040507;CHEMBL4040510,PMID:28704052,2017.0,PMID:28704052,2017,0,1;0;0,0;1;0,0;0;1,0,,=,  7.600;  8.520;  8.720,8.28,0.488,0.345,3.0,8.52,0.2
-YRZFKKJPUMNZDY_on_Q14416_WT,Low,ChEMBL30,CHEMBL1096052,CC(=O)Nc1ccccc1OCC1CN(c2ccccc2)C(=O)O1,YRZFKKJPUMNZDY,YRZFKKJPUMNZDY-UHFFFAOYSA-N,"InChI=1S/C18H18N2O4/c1-13(21)19-16-9-5-6-10-17(16)23-12-15-11-20(18(22)24-15)14-7-3-2-4-8-14/h2-10,15H,11-12H2,1H3,(H,19,21)","""AuxInfo=1/1/N:1,19,18,20,7,8,17,21,6,9,14,12,2,16,13,5,10,22,4,15,3,23,11,24/E:(3,4)(7,8)/rA:24CCONCCCCCCOCCCNCCCCCCCOO/rB:s1;d2;s2;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s15;d22;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-YRZJRVLGAJFCTI_on_P41594_WT,Low,ChEMBL30,CHEMBL3694793,Cc1c(Br)sc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1,YRZJRVLGAJFCTI,YRZJRVLGAJFCTI-UHFFFAOYSA-N,"InChI=1S/C15H10BrFN4O2S/c1-8-13(16)24-15(20-8)21-14(22)9-2-10(17)4-11(3-9)23-12-5-18-7-19-6-12/h2-7H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,11,23,14,18,22,20,2,10,12,15,17,3,8,6,4,13,19,21,24,7,9,16,5/E:(5,6)(18,19)/rA:24CCCBrSCNCOCCCFCCOCCNCNCCN/rB:s1;d2;s3;s3;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s15;s16;d17;s18;d19;s20;s17d21;s10d15;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707570,PATENT:US8796295B2,2014.0,PATENT:US8796295B2,2014,1,0,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-YSDYZWDWFNMKFW_on_O15399_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_O60391_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_Q05586_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_Q12879_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_Q13224_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSDYZWDWFNMKFW_on_Q14957_WT,Low,ChEMBL30,CHEMBL166697,Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1,YSDYZWDWFNMKFW,YSDYZWDWFNMKFW-UHFFFAOYSA-N,"InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)","""AuxInfo=1/1/N:1,15,14,16,13,10,9,3,6,17,2,11,12,4,7,5,18,8/rA:18CCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;s4;d4;s6;s7;s8;s9;s10;d11;s12;d13;s14;s11d15;s8s12;s2d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YSFOTGFAHZYTEJ_on_O15399_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_O60391_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_Q05586_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_Q12879_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_Q13224_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSFOTGFAHZYTEJ_on_Q14957_WT,Low,ChEMBL30,CHEMBL79436,Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1,YSFOTGFAHZYTEJ,YSFOTGFAHZYTEJ-UHFFFAOYSA-N,"InChI=1S/C15H15Br2N3/c1-9-7-11(16)3-5-13(9)19-15(18)20-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H3,18,19,20)","""AuxInfo=1/1/N:1,10,17,14,16,15,20,11,2,9,18,12,3,8,5,19,13,6,4,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(19,20)/rA:20CCCNCNNCCCCCBrCCCCCBrC/rB:s1;d2;s3;s4;d5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s18;s2d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSJGGZNDUKNWOG_on_P41594_WT,Low,ChEMBL30,CHEMBL3759901,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)cc2F)occ1,YSJGGZNDUKNWOG,YSJGGZNDUKNWOG-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-6-7-28-17(10)18(25)23-16-5-3-12(9-15(16)22)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,9,20,8,28,27,16,23,2,17,10,14,15,24,7,3,4,12,21,18,25,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCClCCCOCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3762452,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSJGGZNDUKNWOG_on_Q13255_WT,High,ChEMBL30,CHEMBL3759901,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)cc2F)occ1,YSJGGZNDUKNWOG,YSJGGZNDUKNWOG-UHFFFAOYSA-N,"InChI=1S/C20H12ClFN2O4/c1-10-6-7-28-17(10)18(25)23-16-5-3-12(9-15(16)22)24-19(26)13-4-2-11(21)8-14(13)20(24)27/h2-9H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,19,9,20,8,28,27,16,23,2,17,10,14,15,24,7,3,4,12,21,18,25,6,11,5,13,22,26/rA:28CCCCONCCCCNCOCCCCClCCCOCCFOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s17;s17;s14d19;s11s15;d21;s10;s7d23;s24;s3;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.280;  8.270,6.775,1.495,1.495,2.0,6.775,1.495
-YSKYRPZOEKFCGP_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,76322143;CHEMBL3133885,COc1c(C(F)(F)F)cc2NC(=O)CC(c3cccc(-n4ccnc4)c3)=Nc2c1,YSKYRPZOEKFCGP,YSKYRPZOEKFCGP-UHFFFAOYSA-N,"InChI=1S/C20H15F3N4O2/c1-29-18-9-17-16(8-14(18)20(21,22)23)26-19(28)10-15(25-17)12-3-2-4-13(7-12)27-6-5-24-11-27/h2-9,11H,10H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,18,17,19,23,22,26,9,29,14,25,16,20,4,15,10,28,3,12,5,6,7,8,24,27,11,21,13,2/E:(21,22,23)/rA:29COCCCFFFCCNCOCCCCCCCNCCNCCNCC/rB:s1;s2;d3;s4;s5;s5;s5;s4;d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;s19;s20;s21;d22;s23;s21d24;s16d20;w?15;s10s27;s3d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:1077552;CHEMBL3137095,DOI:10.1039/C3MD00110E,2013.0,PubChemAID:1077552;DOI:10.1039/C3MD00110E,2014;2013,0;1,0,0,0,1;0,,=,  7.041;  7.040,7.04,0.0,0.0,2.0,7.04,0.001
-YSLDYJOGEQZLDN_on_P18507_WT,Low,ChEMBL30,CHEMBL1078501,Cc1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,YSLDYJOGEQZLDN,YSLDYJOGEQZLDN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-YSLDYJOGEQZLDN_on_P28472_WT,Low,ChEMBL30,CHEMBL1078501,Cc1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,YSLDYJOGEQZLDN,YSLDYJOGEQZLDN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-YSLDYJOGEQZLDN_on_P31644_WT,Low,ChEMBL30,CHEMBL1078501,Cc1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1,YSLDYJOGEQZLDN,YSLDYJOGEQZLDN-UHFFFAOYSA-N,"InChI=1S/C13H10FN5/c1-8-12-5-19-13(15-6-17-19)10-4-9(14)2-3-11(10)18(12)7-16-8/h2-4,6-7H,5H2,1H3","""AuxInfo=1/0/N:1,13,12,16,4,7,18,2,14,10,11,3,9,15,8,19,6,17,5/rA:19CCCCNNCNCCCCCCFCNCN/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s9;d10;s11;d12;s13;s14;s10d14;s3s11;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111355,PMID:19762240,2009.0,PMID:19762240,2009,0,0,0,1,0,,=,  8.520,8.52,0.0,0.0,1.0,8.52,0.0
-YSNSIIQTSACUTQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3949476,NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1,YSNSIIQTSACUTQ,YSNSIIQTSACUTQ-UHFFFAOYSA-N,"InChI=1S/C21H21N3O3/c22-21(27)18-11-16(14-4-2-1-3-5-14)15-7-6-13(10-17(15)23-18)12-24-19(25)8-9-20(24)26/h4,6-7,10-11H,1-3,5,8-9,12H2,(H2,22,27)","""AuxInfo=1/1/N:10,9,11,8,12,15,14,21,22,25,5,17,16,7,13,6,26,4,19,23,2,1,27,18,20,24,3/E:(8,9)(19,20)(25,26)/rA:27NCOCCCCCCCCCCCCCCNCOCCCOCCN/rB:s1;d2;s2;d4;s5;s6;w?7;s8;s9;s10;s7s11;d6;s13;d14;s15;s16;s17;s18;d19;s19;s21;s18s22;d23;d16;s13s25;s4d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YSODDRHEYMGLIX_on_P41594_WT,Low,ChEMBL30,CHEMBL215149,Cc1nc(C#CCOc2ccccc2)ccc1,YSODDRHEYMGLIX,YSODDRHEYMGLIX-UHFFFAOYSA-N,"InChI=1S/C15H13NO/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3","""AuxInfo=1/0/N:1,12,11,13,16,6,17,15,5,10,14,7,2,4,9,3,8/E:(3,4)(10,11)/rA:17CCNCCCCOCCCCCCCCC/rB:s1;d2;s3;s4;t5;s6;s7;s8;d9;s10;d11;s12;s9d13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL864285,PMID:16839764,2006.0,PMID:16839764,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSOWRGMLMZQSBX_on_O00222_WT,High,ChEMBL30,CHEMBL3616847,NC1(C(=O)O)CC(Sc2n[nH]cn2)C2C(C(=O)O)C21,YSOWRGMLMZQSBX,YSOWRGMLMZQSBX-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,12,7,14,15,19,16,3,9,2,1,13,11,10,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL3619428,PMID:26313429,2015.0,PMID:26313429,2015,0,1,0,0,0,,=,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YSOWRGMLMZQSBX_on_O15303_WT,High,ChEMBL30,CHEMBL3616847,NC1(C(=O)O)CC(Sc2n[nH]cn2)C2C(C(=O)O)C21,YSOWRGMLMZQSBX,YSOWRGMLMZQSBX-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,12,7,14,15,19,16,3,9,2,1,13,11,10,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3619424,PMID:26313429,2015.0,PMID:26313429,2015,0,1,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-YSOWRGMLMZQSBX_on_Q14416_WT,High,ChEMBL30,CHEMBL3616854;CHEMBL3616847;CHEMBL3616854;CHEMBL3616847;CHEMBL3616847;CHEMBL3616854;CHEMBL3616847;CHEMBL3616847;CHEMBL3616847;CHEMBL3616847,NC1(C(=O)O)CC(Sc2n[nH]cn2)C2C(C(=O)O)C21,YSOWRGMLMZQSBX,YSOWRGMLMZQSBX-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,12,7,14,15,19,16,3,9,2,1,13,11,10,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619269;CHEMBL3618567;CHEMBL3619271;CHEMBL3619407;CHEMBL3618561;CHEMBL3619407;CHEMBL3619269;CHEMBL3618565;CHEMBL3618563;CHEMBL3619271,PMID:26313429,2015.0,PMID:26313429,2015,0,0;1;1;1;1;1;0;1;1;1,0,1;0;0;0;0;0;1;0;0;0,0,,=,  7.220;  7.320;  7.950;  7.680;  7.700;  7.160;  6.840;  7.660;  7.330;  8.250,7.511,0.39399999999999996,0.131,10.0,7.495,0.24
-YSOWRGMLMZQSBX_on_Q14832_WT,High,ChEMBL30,CHEMBL3616847;CHEMBL3616847;CHEMBL3616847;CHEMBL3616854;CHEMBL3616854;CHEMBL3616847;CHEMBL3616854;CHEMBL3616854;CHEMBL3616847;CHEMBL3616847;CHEMBL3616847;CHEMBL3616847,NC1(C(=O)O)CC(Sc2n[nH]cn2)C2C(C(=O)O)C21,YSOWRGMLMZQSBX,YSOWRGMLMZQSBX-UHFFFAOYSA-N,"InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)","""AuxInfo=1/1/N:6,12,7,14,15,19,16,3,9,2,1,13,11,10,17,18,4,5,8/E:(15,16)(17,18)/rA:19NCCOOCCSCNNCNCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s11;s9d12;s7;s14;s15;d16;s16;s2s14s15;/rC:;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619410;CHEMBL3618575;CHEMBL3618573;CHEMBL3619410;CHEMBL3619270;CHEMBL3619412;CHEMBL3619412;CHEMBL3619416;CHEMBL3618569;CHEMBL3619416;CHEMBL3619270;CHEMBL3618571,PMID:26313429,2015.0,PMID:26313429,2015,0;0;0;0;0;1;1;1;0;1;0;0,1;1;1;1;0;0;0;0;1;0;0;1,0,0;0;0;0;1;0;0;0;0;0;1;0,0,,=,  6.890;  5.930;  5.550;  6.640;  6.900;  5.560;  5.370;  5.510;  5.250;  4.600;  6.810;  5.660,5.888999999999999,0.7190000000000001,0.217,12.0,5.61,0.34
-YSRWWHRWKAAWBF_on_P41594_WT,High,ChEMBL30,CHEMBL3655609,Cc1ccc(Oc2cccc(NC(=O)c3cccc(C)n3)n2)cn1,YSRWWHRWKAAWBF,YSRWWHRWKAAWBF-UHFFFAOYSA-N,"InChI=1S/C18H16N4O2/c1-12-9-10-14(11-19-12)24-17-8-4-7-16(21-17)22-18(23)15-6-3-5-13(2)20-15/h3-11H,1-2H3,(H,21,22,23)","""AuxInfo=1/1/N:1,20,17,9,18,16,10,8,3,4,23,2,19,5,15,11,7,13,24,21,22,12,14,6/rA:24CCCCCOCCCCCNCOCCCCCCNNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;s12;d13;s13;d15;s16;d17;s18;s19;s15d19;s7d11;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  5.250,5.25,0.0,0.0,1.0,5.25,0.0
-YSSBTWFASLVAGY_on_Q05586_WT,Low,ChEMBL30,CHEMBL1270718,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CC1,YSSBTWFASLVAGY,YSSBTWFASLVAGY-UHFFFAOYSA-N,"InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,29,30,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(2,3)(8,9)(10,11)/rA:30NCCCNCCCCNCCCNCOCCCCCCCCNCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-YSSBTWFASLVAGY_on_Q12879_WT,Low,ChEMBL30,CHEMBL1270718,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CC1,YSSBTWFASLVAGY,YSSBTWFASLVAGY-UHFFFAOYSA-N,"InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,29,30,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(2,3)(8,9)(10,11)/rA:30NCCCNCCCCNCCCNCOCCCCCCCCNCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-YSSBTWFASLVAGY_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1270718,NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CC1,YSSBTWFASLVAGY,YSSBTWFASLVAGY-UHFFFAOYSA-N,"InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:22,21,23,7,8,3,12,20,24,29,30,2,6,9,4,11,13,18,19,28,17,26,15,1,5,10,14,25,27,16/E:(2,3)(8,9)(10,11)/rA:30NCCCNCCCCNCCCNCOCCCCCCCCNCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s17;s25;d26;s26;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1274346,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-YSURNJBIVZXADU_on_P14867_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-YSURNJBIVZXADU_on_P18507_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL681248;CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.500;  7.080;  7.890,7.157,0.57,0.40299999999999997,3.0,7.08,0.58
-YSURNJBIVZXADU_on_P28472_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678329;CHEMBL681248;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.890;  7.080;  6.500,7.157,0.57,0.40299999999999997,3.0,7.08,0.58
-YSURNJBIVZXADU_on_P31644_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-YSURNJBIVZXADU_on_P47869_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-YSURNJBIVZXADU_on_Q16445_WT,Low,ChEMBL30,CHEMBL173325,O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1,YSURNJBIVZXADU,YSURNJBIVZXADU-UHFFFAOYSA-N,"InChI=1S/C11H6N4O4/c16-14(17)6-1-2-9-7(3-6)8-4-11(15(18)19)12-5-10(8)13-9/h1-5,13H","""AuxInfo=1/0/N:5,6,19,11,17,4,18,10,7,9,12,16,8,2,13,1,3,14,15/E:(16,17)(18,19)/CRV:14.5,15.5/rA:19ON+O-CCCCNCCCCN+OO-NCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;d11;s12;d13;s13;s12;s9d16;s7s10;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  4.301,4.301,0.0,0.0,1.0,4.301,0.0
-YSVGUVAAWFHBTN_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30;ChEMBL30,44441269;CHEMBL429475;CHEMBL429475,FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)ccc3)CN2)cc1Cl,YSVGUVAAWFHBTN,YSVGUVAAWFHBTN-UHFFFAOYSA-N,"InChI=1S/C16H11Cl2F3N2O/c17-11-3-1-2-9(6-11)13-8-22-15(23-13)10-4-5-14(12(18)7-10)24-16(19,20)21/h1-7,13H,8H2,(H,22,23)","""AuxInfo=1/1/N:18,19,17,8,7,14,22,20,13,9,15,23,12,6,10,2,16,24,1,3,4,21,11,5/E:(19,20,21)/rA:24FCFFOCCCCCNCCCCClCCCCNCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;w?10;s11;s12;d13;s14;s15;d15;s17;s13d18;s12;s10s20;s9;s6d22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:307754;CHEMBL887787;CHEMBL887786,PMID:17498948,2007.0,PubChemAID:307754;PMID:17498948;PMID:17498948,2010;2007;2007,0;1;0,0,0,0;0;1,1;0;0,,=,  7.180;  6.580;  7.180,6.98,0.28300000000000003,0.2,3.0,7.18,0.0
-YSYLOVHLVDKWFB_on_P41594_WT,Medium,ChEMBL30,CHEMBL3974773,CC1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1,YSYLOVHLVDKWFB,YSYLOVHLVDKWFB-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O2/c1-15-20-13-18(14-27-19-5-3-2-4-6-19)23-25(20)12-11-24(15)21(26)16-7-9-17(22)10-8-16/h2-10,13,15H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,11,10,12,9,13,22,27,23,26,17,16,4,6,2,21,24,5,8,3,19,25,14,18,15,20,7/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCCCCOCCCCCCNNCCNCOCCCCFCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s19;d21;s22;d23;s24;s24;s21d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  5.970,5.97,0.0,0.0,1.0,5.97,0.0
-YSZAXBGUMAMQQB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3950572,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1,YSZAXBGUMAMQQB,YSZAXBGUMAMQQB-UHFFFAOYSA-N,"InChI=1S/C22H17FN4O/c23-17-6-4-16(5-7-17)19-10-21(22(24)28)27-20-9-14(3-8-18(19)20)1-2-15-11-25-13-26-12-15/h3-13H,1-2H2,(H2,24,28)","""AuxInfo=1/1/N:18,19,16,8,13,9,12,15,26,5,21,25,23,17,20,7,10,14,6,27,4,2,11,1,22,24,28,3/E:(4,5)(6,7)(11,12)(25,26)/rA:28NCOCCCCCCCFCCCCCCCCCCNCNCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-YSZKSMMSKUUKKE_on_P41594_WT,Medium,ChEMBL30,CHEMBL511603,Cc1nc(C#Cc2cc(F)cc(-c3cnccc3)c2)cs1,YSZKSMMSKUUKKE,YSZKSMMSKUUKKE-UHFFFAOYSA-N,"InChI=1S/C17H11FN2S/c1-12-20-17(11-21-12)5-4-13-7-15(9-16(18)8-13)14-3-2-6-19-10-14/h2-3,6-11H,1H3","""AuxInfo=1/0/N:1,17,18,6,5,16,19,8,11,14,20,2,7,13,12,9,4,10,15,3,21/rA:21CCNCCCCCCFCCCCNCCCCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s13d17;s7d12;d4;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1004108,PMID:19445453,2009.0,PMID:19445453,2009,0,0,0,1,0,,=,  8.570,8.57,0.0,0.0,1.0,8.57,0.0
-YSZUTBIMVUGGGW_on_Q14833_WT,High,ChEMBL30,CHEMBL578793,O=C1C2CCCCC2C(=O)N1c1cc(Cl)cc(Cl)c1,YSZUTBIMVUGGGW,YSZUTBIMVUGGGW-UHFFFAOYSA-N,"InChI=1S/C14H13Cl2NO2/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(17)19/h5-7,11-12H,1-4H2","""AuxInfo=1/0/N:5,6,4,7,16,13,19,14,17,12,3,8,2,9,15,18,11,1,10/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)(15,16)(18,19)/rA:19OCCCCCCCCONCCCClCCClC/rB:d1;s2;s3;s4;s5;s6;s3s7;s8;d9;s2s9;s11;d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1044679,PMID:19640716,2009.0,PMID:19640716,2009,0,1,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-YTASVSOTTOCTAW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71456662;CHEMBL2153779,O=C(Nc1ccccn1)c1nccc2c1[nH]cc2,YTASVSOTTOCTAW,YTASVSOTTOCTAW-UHFFFAOYSA-N,"InChI=1S/C13H10N4O/c18-13(17-10-3-1-2-6-14-10)12-11-9(4-7-15-11)5-8-16-12/h1-8,15H,(H,14,17,18)","""AuxInfo=1/1/N:6,7,5,18,13,8,17,12,14,4,15,10,2,9,16,11,3,1/rA:18OCNCCCCCNCNCCCCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s10d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:690762;CHEMBL2156622,PMID:22963764,2012.0,PubChemAID:690762;PMID:22963764,2013;2012,0;1,0,0,0,1;0,,=,  6.620;  6.620,6.62,0.0,0.0,2.0,6.62,0.0
-YTCWWQKUCNSDIT_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3895941,CCc1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1,YTCWWQKUCNSDIT,YTCWWQKUCNSDIT-UHFFFAOYSA-N,"InChI=1S/C18H15Cl2N3O3S2/c1-2-14-17(28(25,26)10-11-6-7-12(19)9-13(11)20)27-18(22-14)23-16(24)15-5-3-4-8-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)","""AuxInfo=1/1/N:1,2,24,25,23,10,11,26,14,8,9,12,15,3,22,20,4,18,13,16,27,28,19,21,6,7,17,5/E:(25,26)/CRV:28.6/rA:28CCCCSOOCCCCCClCCClSCNCOCCCCCNN/rB:s1;s2;d3;s4;d5;d5;s5;s8;d9;s10;d11;s12;s12;s9d14;s15;s4;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.030,6.03,0.0,0.0,1.0,6.03,0.0
-YTDMQNNCSBQOAF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB;ChEMBL30,CHEMBL1682801;53318399;CHEMBL1682801,CN(C)c1ncc(C#Cc2ccccc2)cn1,YTDMQNNCSBQOAF,YTDMQNNCSBQOAF-UHFFFAOYSA-N,"InChI=1S/C14H13N3/c1-17(2)14-15-10-13(11-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3","""AuxInfo=1/0/N:1,3,13,12,14,11,15,9,8,6,16,10,7,4,5,17,2/E:(1,2)(4,5)(6,7)(10,11)(15,16)/rA:17CNCCNCCCCCCCCCCCN/rB:s1;s2;s2;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174;PubChemAID:579858;CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468;PubChemAID:579858;PMID:21295468,2011,0,1;0;1,0,0,0;1;0,,=,  6.950;  6.950;  6.950,6.95,0.0,0.0,3.0,6.95,0.0
-YTEJXIUUQRGICI_on_Q14833_WT,High,ChEMBL30,CHEMBL3799999,CC1(C2CC2)CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1,YTEJXIUUQRGICI,YTEJXIUUQRGICI-UHFFFAOYSA-N,"InChI=1S/C20H21ClN4O2/c1-20(12-4-5-12)10-17(26)25(11-20)16-7-6-13(9-14(16)21)24-19(27)18-15(22)3-2-8-23-18/h2-3,6-9,12H,4-5,10-11,22H2,1H3,(H,24,27)","""AuxInfo=1/1/N:1,22,21,4,5,25,26,23,13,6,27,3,14,11,19,10,7,18,16,2,12,20,24,15,9,8,17/E:(4,5)/rA:27CCCCCCCONCCClCCNCOCCNCCCNCCC/rB:s1;s2;s3;s3s4;s2;s6;d7;s7;s9;d10;s11;s11;d13;s14;s15;d16;s16;d18;s19;s19;d21;s22;s18d23;s14;s10d25;s2s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  5.550;  8.550,7.05,1.5,1.5,2.0,7.05,1.5
-YTGZSWOWFGVAFH_on_P14867_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1111449;CHEMBL677034;CHEMBL677037,PMID:15084116,2004.0,PMID:19740657;PMID:15214791;PMID:15084116,2009;2004;2004,0,0,0,1,0,,=,  8.820;  8.850;  9.030,8.9,0.09300000000000001,0.066,3.0,8.85,0.03
-YTGZSWOWFGVAFH_on_P18507_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1111449;CHEMBL1111448;CHEMBL682712;CHEMBL1111451;CHEMBL1111450;CHEMBL677034;CHEMBL682709;CHEMBL680432;CHEMBL685348;CHEMBL682903;CHEMBL677037;CHEMBL680435;CHEMBL682082;CHEMBL680324;CHEMBL680669,PMID:15214791,2004.0,PMID:19740657;PMID:19740657;PMID:15084116;PMID:19740657;PMID:19740657;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116;PMID:15084116;PMID:15214791;PMID:15214791,2009;2009;2004;2009;2009;2004;2004;2004;2004;2004;2004;2004;2004;2004;2004,0,0;0;0;0;0;0;0;0;0;0;0;0;0;1;0,0,1;1;1;1;1;1;1;1;1;1;1;1;1;0;1,0,,=,  8.820;  8.820;  8.820;  8.820;  8.820;  8.850;  8.570;  8.850;  5.360;  6.610;  9.030;  9.020;  9.210;  8.600;  9.100,8.487,1.02,0.273,15.0,8.82,0.2
-YTGZSWOWFGVAFH_on_P28472_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680324;CHEMBL677034;CHEMBL680432;CHEMBL682709;CHEMBL680669;CHEMBL1111448;CHEMBL1111449;CHEMBL1111450;CHEMBL682712;CHEMBL1111451;CHEMBL677037;CHEMBL685348;CHEMBL682903;CHEMBL680435;CHEMBL682082,PMID:15214791,2004.0,PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:15214791;PMID:19740657;PMID:19740657;PMID:19740657;PMID:15084116;PMID:19740657;PMID:15084116;PMID:15214791;PMID:15214791;PMID:15084116;PMID:15084116,2004;2004;2004;2004;2004;2009;2009;2009;2004;2009;2004;2004;2004;2004;2004,0,1;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0,0;1;1;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  8.600;  8.850;  8.850;  8.570;  9.100;  8.820;  8.820;  8.820;  8.820;  8.820;  9.030;  5.360;  6.610;  9.020;  9.210,8.487,1.02,0.273,15.0,8.82,0.2
-YTGZSWOWFGVAFH_on_P31644_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1111448;CHEMBL682082;CHEMBL680324;CHEMBL680669,PMID:15084116,2004.0,PMID:19740657;PMID:15084116;PMID:15214791;PMID:15214791,2009;2004;2004;2004,0,0;0;1;0,0,1;1;0;1,0,,=,  8.820;  9.210;  8.600;  9.100,8.933,0.239,0.138,4.0,8.96,0.195
-YTGZSWOWFGVAFH_on_P34903_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432;CHEMBL1111451;CHEMBL680435,PMID:15084116,2004.0,PMID:15214791;PMID:19740657;PMID:15084116,2004;2009;2004,0,0,0,1,0,,=,  8.850;  8.820;  9.020,8.897,0.08800000000000001,0.062,3.0,8.85,0.03
-YTGZSWOWFGVAFH_on_P47869_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1111450;CHEMBL682709;CHEMBL682712,PMID:15084116,2004.0,PMID:19740657;PMID:15214791;PMID:15084116,2009;2004;2004,0,0,0,1,0,,=,  8.820;  8.570;  8.820,8.737,0.11800000000000001,0.083,3.0,8.82,0.0
-YTGZSWOWFGVAFH_on_P48169_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL682903,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-YTGZSWOWFGVAFH_on_Q16445_WT,Low,ChEMBL30,CHEMBL68684,Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1,YTGZSWOWFGVAFH,YTGZSWOWFGVAFH-UHFFFAOYSA-N,"InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3","""AuxInfo=1/0/N:1,13,12,20,21,19,14,11,22,3,17,2,18,9,10,4,8,5,15,23,7,6,24,26,25,16,27/rA:27CCCCCNNCCCCCCCCOCCCCCCNNNNO/rB:s1;d2;s3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;d4;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685348,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YTHDYZPPADAUTG_on_P41594_WT,Low,ChEMBL30,CHEMBL204201,Cc1ccc(NC(=O)NC2=NC(=O)C3CCCN23)cc1Cl,YTHDYZPPADAUTG,YTHDYZPPADAUTG-UHFFFAOYSA-N,"InChI=1S/C14H15ClN4O2/c1-8-4-5-9(7-10(8)15)16-14(21)18-13-17-12(20)11-3-2-6-19(11)13/h4-5,7,11H,2-3,6H2,1H3,(H2,16,17,18,20,21)","""AuxInfo=1/1/N:1,16,15,3,4,17,19,2,5,20,14,12,10,7,21,6,11,9,18,13,8/rA:21CCCCCNCONCNCOCCCCNCCCl/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;w?10;s11;d12;s12;s14;s15;s16;s10s14s17;s5;s2d19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860564,PMID:16380255,2006.0,PMID:16380255,2006,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YTIFGMISGOJRBO_on_P31644_WT,High,ChEMBL30,CHEMBL3681516,Cc1c(COc2ccc(C(=O)NC3CN(C(=O)OC(C)(C)C)C3)cn2)c(-c2ccccc2)no1,YTIFGMISGOJRBO,YTIFGMISGOJRBO-UHFFFAOYSA-N,"InChI=1S/C25H28N4O5/c1-16-20(22(28-34-16)17-8-6-5-7-9-17)15-32-21-11-10-18(12-26-21)23(30)27-19-13-29(14-19)24(31)33-25(2,3)4/h5-12,19H,13-15H2,1-4H3,(H,27,30)","""AuxInfo=1/1/N:1,20,21,22,30,29,31,28,32,8,7,24,14,23,4,2,27,9,13,3,6,26,10,16,19,25,12,33,15,11,17,5,18,34/E:(2,3,4)(6,7)(8,9)(13,14)/rA:34CCCCOCCCCCONCCNCOOCCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;s16;s18;s19;s19;s19;s13s15;s9;s6d24;s3;s26;d27;s28;d29;s30;s27d31;d26;s2s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-YTIXKGOTDFSUFK_on_P41594_WT,Medium,ChEMBL30,CHEMBL239799,CN1CC(=O)N=C1NC(=O)Nc1c(Cl)cccc1,YTIXKGOTDFSUFK,YTIXKGOTDFSUFK-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-5-3-2-4-7(8)12/h2-5H,6H2,1H3,(H2,13,14,15,17,18)","""AuxInfo=1/1/N:1,16,17,15,18,3,13,12,4,7,9,14,11,6,8,2,5,10/rA:18CNCCONCNCONCCClCCCC/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;s13;d15;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955;CHEMBL885956,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  5.600;  5.170,5.385,0.215,0.215,2.0,5.385,0.215
-YTNOXBAICPFPDC_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4109918,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)ccn1,YTNOXBAICPFPDC,YTNOXBAICPFPDC-UHFFFAOYSA-N,"InChI=1S/C21H18F5N3O/c1-12-8-13(4-6-27-12)19-18-5-7-30-15(10-22)11-29(18)20(28-19)14-2-3-17(23)16(9-14)21(24,25)26/h2-4,6,8-9,15H,5,7,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,28,7,29,8,3,26,11,13,2,4,16,10,21,19,6,5,15,22,12,20,23,24,25,30,27,14,9/E:(24,25,26)/rA:30CCCCCCCCOCCFCNCCCCCFCCFFFCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s19;s21;s22;s22;s22;s16d21;s5d15;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.610,7.61,0.0,0.0,1.0,7.61,0.0
-YTPPBAYYHIGVLQ_on_P18507_WT,Low,ChEMBL30,CHEMBL1783259,COc1cc(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c(OC)cc1,YTPPBAYYHIGVLQ,YTPPBAYYHIGVLQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:18,19,1,25,8,7,9,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(1,2)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YTPPBAYYHIGVLQ_on_P28472_WT,Low,ChEMBL30,CHEMBL1783259,COc1cc(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c(OC)cc1,YTPPBAYYHIGVLQ,YTPPBAYYHIGVLQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:18,19,1,25,8,7,9,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(1,2)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YTPPBAYYHIGVLQ_on_P47869_WT,High,ChEMBL30,CHEMBL1783259,COc1cc(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c(OC)cc1,YTPPBAYYHIGVLQ,YTPPBAYYHIGVLQ-UHFFFAOYSA-N,"InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:18,19,1,25,8,7,9,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(1,2)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YTQRHYCHEIXUIU_on_O00591_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_O14764_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P14867_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P18505_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P18507_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P28472_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P31644_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P34903_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P47869_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P47870_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P48169_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_P78334_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_Q16445_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTQRHYCHEIXUIU_on_Q99928_WT,Low,ChEMBL30,CHEMBL441986,CCc1nccc2c1[nH]c1c2cccc1,YTQRHYCHEIXUIU,YTQRHYCHEIXUIU-UHFFFAOYSA-N,"InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3","""AuxInfo=1/0/N:1,2,13,14,12,15,6,5,11,7,3,10,8,4,9/rA:15CCCNCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s7d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  3.600,3.6,0.0,0.0,1.0,3.6,0.0
-YTRFJYRXWDXOCM_on_P14867_WT,Low,ChEMBL30,CHEMBL4072311,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc(C#N)n4)CCC32)C1,YTRFJYRXWDXOCM,YTRFJYRXWDXOCM-UHFFFAOYSA-N,"InChI=1S/C24H34N4O2/c1-23(30)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(29)14-28-26-13-16(12-25)27-28/h13,15,17-21,30H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,24,22,19,7,23,6,11,10,29,16,17,2,14,25,21,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNNCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YTRFJYRXWDXOCM_on_P18507_WT,Low,ChEMBL30,CHEMBL4072311,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc(C#N)n4)CCC32)C1,YTRFJYRXWDXOCM,YTRFJYRXWDXOCM-UHFFFAOYSA-N,"InChI=1S/C24H34N4O2/c1-23(30)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(29)14-28-26-13-16(12-25)27-28/h13,15,17-21,30H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,24,22,19,7,23,6,11,10,29,16,17,2,14,25,21,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNNCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YTRFJYRXWDXOCM_on_P47870_WT,Low,ChEMBL30,CHEMBL4072311,CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc(C#N)n4)CCC32)C1,YTRFJYRXWDXOCM,YTRFJYRXWDXOCM-UHFFFAOYSA-N,"InChI=1S/C24H34N4O2/c1-23(30)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(29)14-28-26-13-16(12-25)27-28/h13,15,17-21,30H,3-11,14H2,1-2H3","""AuxInfo=1/0/N:1,15,8,9,28,27,5,12,4,13,30,24,22,19,7,23,6,11,10,29,16,17,2,14,25,21,26,20,18,3/rA:30CCOCCCCCCCCCCCCCCOCNNCCCNNCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s14;s16;d17;s17;s19;s20;d21;s22;s23;t24;s20d23;s16;s27;s10s14s28;s2s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YTTJSPTYQMWSNO_on_P14867_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3058332,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-YTTJSPTYQMWSNO_on_P18507_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3058330;CHEMBL3058329;CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.610;  6.540;  7.240,6.797000000000001,0.315,0.223,3.0,6.61,0.07
-YTTJSPTYQMWSNO_on_P28472_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3058328;CHEMBL3058330;CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.240;  6.610;  6.540,6.797000000000001,0.315,0.223,3.0,6.61,0.07
-YTTJSPTYQMWSNO_on_P31644_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3058328,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-YTTJSPTYQMWSNO_on_P34903_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3058330,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.610,6.61,0.0,0.0,1.0,6.61,0.0
-YTTJSPTYQMWSNO_on_P47869_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3058331,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-YTTJSPTYQMWSNO_on_P48169_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3058329,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-YTTJSPTYQMWSNO_on_Q16445_WT,Low,ChEMBL30,CHEMBL2261915,O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1,YTTJSPTYQMWSNO,YTTJSPTYQMWSNO-UHFFFAOYSA-N,"InChI=1S/C17H13BrF3N3O3/c18-9-3-4-11-10(6-9)15(25)23-5-1-2-12(23)14-13(22-8-24(11)14)16(26)27-7-17(19,20)21/h3-4,6,8,12H,1-2,5,7H2","""AuxInfo=1/0/N:13,12,21,20,14,24,4,26,22,18,19,11,9,10,16,2,5,23,6,7,8,27,15,25,17,1,3/E:(19,20,21)/rA:27OCOCCFFFCCCCCCNCOCCCCCBrCNCN/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;s11;s12;s13;s11s14;s15;d16;s16;d18;s19;d20;s21;s22;s18d22;s10s19;s25;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3058327,DOI:10.1007/s00044-004-0033-7,2004.0,DOI:10.1007/s00044-004-0033-7,2004,0,0,0,1,0,,<,  6.478,6.478,0.0,0.0,1.0,6.478,0.0
-YTTWCPCTWVFRJA_on_Q13255_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1951873;57391670,CNc1c2c(ncc1)sc1c2ccn(-c2ccc(C#N)cc2)c1=O,YTTWCPCTWVFRJA,YTTWCPCTWVFRJA-UHFFFAOYSA-N,"InChI=1S/C18H12N4OS/c1-20-14-6-8-21-17-15(14)13-7-9-22(18(23)16(13)24-17)12-4-2-11(10-19)3-5-12/h2-9H,1H3,(H,20,21)","""AuxInfo=1/1/N:1,17,21,16,22,8,12,7,13,19,18,15,11,3,4,10,5,23,20,2,6,14,24,9/E:(2,3)(4,5)/rA:24CNCCCNCCSCCCCNCCCCCNCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;t19;s18;s15d21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372;PubChemAID:645618,PMID:22266036,2012.0,PMID:22266036;PubChemAID:645618,2012,1;0,0,0,0,0;1,,=,  6.690;  6.692,6.691,0.001,0.001,2.0,6.691,0.001
-YTUMMZANIYQNOM_on_P14867_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526;CHEMBL678329;CHEMBL676827;CHEMBL991895;CHEMBL822165;CHEMBL676825,PMID:8627617,1996.0,PMID:18537233;PMID:10633039;PMID:14667209;PMID:18537233;PMID:9767648;PMID:8627617,2008;2000;2003;2008;1998;1996,0,0;0;0;1;0;0,0,1;1;1;0;1;1,0,,=,  7.570;  7.570;  7.570;  4.130;  7.570;  7.570,6.997000000000001,1.2819999999999998,0.573,6.0,7.57,0.0
-YTUMMZANIYQNOM_on_P18507_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676825;CHEMBL678740;CHEMBL948523;CHEMBL683045;CHEMBL678746;CHEMBL677846;CHEMBL683047;CHEMBL677845;CHEMBL681248;CHEMBL681480;CHEMBL685338;CHEMBL822165;CHEMBL948527;CHEMBL991895;CHEMBL676827;CHEMBL823916;CHEMBL948525;CHEMBL948526;CHEMBL991890;CHEMBL682251;CHEMBL824296;CHEMBL681840;CHEMBL992835;CHEMBL948524;CHEMBL991893;CHEMBL678329;CHEMBL682646,PMID:8627617,1996.0,PMID:8627617;PMID:8627617;PMID:18537233;PMID:10633039;PMID:14667209;PMID:14667209;PMID:9767648;PMID:8627617;PMID:10633039;PMID:10633039;PMID:9767648;PMID:9767648;PMID:18537233;PMID:18537233;PMID:14667209;PMID:9767648;PMID:18537233;PMID:18537233;PMID:18537233;PMID:10633039;PMID:9767648;PMID:8627617;PMID:18537233;PMID:18537233;PMID:18537233;PMID:10633039;PMID:14667209,1996;1996;2008;2000;2003;2003;1998;1996;2000;2000;1998;1998;2008;2008;2003;1998;2008;2008;2008;2000;1998;1996;2008;2008;2008;2000;2003,0,0;0;1;0;0;0;0;0;0;0;0;0;0;1;0;0;1;0;0;0;0;0;1;1;0;0;0,0,1;1;0;1;1;1;1;1;1;1;1;1;1;0;1;1;0;1;1;1;1;1;0;0;1;1;1,0,,=,  7.570;  7.730;  3.489;  8.290;  9.400;  8.290;  8.290;  8.290;  7.580;  9.400;  9.400;  7.570;  9.400;  4.130;  7.570;  7.730;  4.290;  7.570;  7.580;  7.730;  7.580;  7.580;  4.020;  5.010;  8.290;  7.570;  7.580,7.367999999999999,1.6480000000000001,0.32299999999999995,27.0,7.58,0.71
-YTUMMZANIYQNOM_on_P28472_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681480;CHEMBL682251;CHEMBL948523;CHEMBL992835;CHEMBL991895;CHEMBL682646;CHEMBL948524;CHEMBL677846;CHEMBL991893;CHEMBL822165;CHEMBL948525;CHEMBL991890;CHEMBL948526;CHEMBL948527;CHEMBL676827;CHEMBL683047;CHEMBL678329;CHEMBL824296;CHEMBL683045;CHEMBL823916;CHEMBL678746;CHEMBL685338;CHEMBL681248,PMID:9767648,1998.0,PMID:10633039;PMID:10633039;PMID:18537233;PMID:18537233;PMID:18537233;PMID:14667209;PMID:18537233;PMID:14667209;PMID:18537233;PMID:9767648;PMID:18537233;PMID:18537233;PMID:18537233;PMID:18537233;PMID:14667209;PMID:9767648;PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:14667209;PMID:9767648;PMID:10633039,2000;2000;2008;2008;2008;2003;2008;2003;2008;1998;2008;2008;2008;2008;2003;1998;2000;1998;2000;1998;2003;1998;2000,0,0;0;1;1;1;0;1;0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0,0,1;1;0;0;0;1;0;1;1;1;0;1;1;1;1;1;1;1;1;1;1;1;1,0,,=,  9.400;  7.730;  3.489;  4.020;  4.130;  7.580;  5.010;  8.290;  8.290;  7.570;  4.290;  7.580;  7.570;  9.400;  7.570;  8.290;  7.570;  7.580;  8.290;  7.730;  9.400;  9.400;  7.580,7.294,1.771,0.37799999999999995,23.0,7.58,0.71
-YTUMMZANIYQNOM_on_P31644_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338;CHEMBL948527;CHEMBL948524;CHEMBL678746,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:18537233;PMID:18537233;PMID:14667209,2000;1998;2008;2008;2003,0,0;0;0;1;0,0,1;1;1;0;1,0,,=,  9.400;  9.400;  9.400;  5.010;  9.400,8.522,1.756,0.878,5.0,9.4,0.0
-YTUMMZANIYQNOM_on_P34903_WT,Medium,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL991891,PMID:8627617,1996.0,PMID:18537233,2008,0,0,0,1,0,,=,  7.730,7.73,0.0,0.0,1.0,7.73,0.0
-YTUMMZANIYQNOM_on_P47869_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248;CHEMBL991890;CHEMBL992835;CHEMBL824296;CHEMBL682646;CHEMBL681840,PMID:8627617,1996.0,PMID:10633039;PMID:18537233;PMID:18537233;PMID:9767648;PMID:14667209;PMID:8627617,2000;2008;2008;1998;2003;1996,0,0;0;1;0;0;0,0,1;1;0;1;1;1,0,,=,  7.580;  7.580;  4.020;  7.580;  7.580;  7.580,6.987,1.327,0.593,6.0,7.58,0.0
-YTUMMZANIYQNOM_on_P47870_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678740;CHEMBL677845;CHEMBL681840;CHEMBL676825,PMID:8627617,1996.0,PMID:8627617,1996,0,0,0,1,0,,=,  7.730;  8.290;  7.580;  7.570,7.792000000000001,0.294,0.17,4.0,7.655,0.08
-YTUMMZANIYQNOM_on_P48169_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL948523,PMID:18537233,2008.0,PMID:18537233,2008,0,1,0,0,0,,=,  3.489,3.489,0.0,0.0,1.0,3.489,0.0
-YTUMMZANIYQNOM_on_Q16445_WT,Low,ChEMBL30,CHEMBL58757,C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21,YTUMMZANIYQNOM,YTUMMZANIYQNOM-UHFFFAOYSA-N,"InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3","""AuxInfo=1/0/N:1,20,21,22,12,2,4,5,8,13,24,3,7,6,14,15,9,16,19,23,11,25,10,17,18/E:(2,3,4)/rA:25CCCCCCCCCONCCCCCOOCCCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;s11;s11;s13;d14;s15;d16;s16;s18;s19;s19;s19;s15;d23;s6s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL991893;CHEMBL948525;CHEMBL677845;CHEMBL683045;CHEMBL677846;CHEMBL683047,PMID:8627617,1996.0,PMID:18537233;PMID:18537233;PMID:8627617;PMID:10633039;PMID:14667209;PMID:9767648,2008;2008;1996;2000;2003;1998,0,0;1;0;0;0;0,0,1;0;1;1;1;1,0,,=,  8.290;  4.290;  8.290;  8.290;  8.290;  8.290,7.622999999999999,1.4909999999999999,0.667,6.0,8.29,0.0
-YTWNKJVSXXMYMF_on_P14867_WT,Low,ChEMBL30,CHEMBL3137994,CC(=O)C1CCC2C3CCC4CC(O)(CN=[N+]=[N-])CCC4(C)C3CCC12C,YTWNKJVSXXMYMF,YTWNKJVSXXMYMF-UHFFFAOYSA-N,"InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,18,16,17,3,14/CRV:25.5/rA:27CCOCCCCCCCCCCOCNN+N-CCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;d16;d17;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-YTWNKJVSXXMYMF_on_P18507_WT,Low,ChEMBL30,CHEMBL3137994,CC(=O)C1CCC2C3CCC4CC(O)(CN=[N+]=[N-])CCC4(C)C3CCC12C,YTWNKJVSXXMYMF,YTWNKJVSXXMYMF-UHFFFAOYSA-N,"InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,18,16,17,3,14/CRV:25.5/rA:27CCOCCCCCCCCCCOCNN+N-CCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;d16;d17;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-YTWNKJVSXXMYMF_on_P47870_WT,Low,ChEMBL30,CHEMBL3137994,CC(=O)C1CCC2C3CCC4CC(O)(CN=[N+]=[N-])CCC4(C)C3CCC12C,YTWNKJVSXXMYMF,YTWNKJVSXXMYMF-UHFFFAOYSA-N,"InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3","""AuxInfo=1/0/N:1,22,27,10,9,5,6,24,25,20,19,12,15,2,11,8,4,7,23,21,26,13,18,16,17,3,14/CRV:25.5/rA:27CCOCCCCCCCCCCOCNN+N-CCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s15;d16;d17;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822946,PMID:9016329,1997.0,PMID:9016329,1997,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-YTWSGIBXINNUPQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2010884,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1,YTWSGIBXINNUPQ,YTWSGIBXINNUPQ-UHFFFAOYSA-N,"InChI=1S/C19H20FN3/c20-16-9-10-17-18(15(16)13-23-11-5-2-6-12-23)22-19(21-17)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2,(H,21,22)","""AuxInfo=1/1/N:11,21,10,12,20,22,9,13,3,4,19,23,17,8,16,2,5,15,7,1,6,14,18/E:(3,4)(5,6)(7,8)(11,12)/rA:23FCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-YTWSGIBXINNUPQ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70680972;CHEMBL2010884,Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1,YTWSGIBXINNUPQ,YTWSGIBXINNUPQ-UHFFFAOYSA-N,"InChI=1S/C19H20FN3/c20-16-9-10-17-18(15(16)13-23-11-5-2-6-12-23)22-19(21-17)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2,(H,21,22)","""AuxInfo=1/1/N:11,21,10,12,20,22,9,13,3,4,19,23,17,8,16,2,5,15,7,1,6,14,18/E:(3,4)(5,6)(7,8)(11,12)/rA:23FCCCCNCCCCCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-YUBBHTCVWUJBBU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3897746,CCc1cccc(Nc2c3ncccc3n[nH]2)c1,YUBBHTCVWUJBBU,YUBBHTCVWUJBBU-UHFFFAOYSA-N,"InChI=1S/C14H14N4/c1-2-10-5-3-6-11(9-10)16-14-13-12(17-18-14)7-4-8-15-13/h3-9H,2H2,1H3,(H2,16,17,18)","""AuxInfo=1/1/N:1,2,5,13,4,6,14,12,18,3,7,15,10,9,11,8,16,17/rA:18CCCCCCCNCCNCCCCNNC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;s9s16;s3d7;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.590,5.59,0.0,0.0,1.0,5.59,0.0
-YUBMDUPQFJAXCO_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11648184;CHEMBL178823,CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(CCc1ccc(-c3n[nH]nn3)cc1)c2,YUBMDUPQFJAXCO,YUBMDUPQFJAXCO-UHFFFAOYSA-N,"InChI=1S/C24H24Cl2N4O/c1-24(18-4-2-3-5-18)13-17-12-16(20(25)21(26)19(17)22(24)31)11-8-14-6-9-15(10-7-14)23-27-29-30-28-23/h6-7,9-10,12,18H,2-5,8,11,13H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,5,6,4,7,21,30,19,22,29,18,31,8,20,23,17,9,3,10,15,13,11,24,2,16,14,25,28,26,27,12/E:(2,3)(4,5)(6,7)(9,10)(27,28)(29,30)/rA:31CCCCCCCCCCCOCClCClCCCCCCCCNNNNCCC/rB:s1;s2;s3;s4;s5;s3s6;s2;s8;d9;s2s10;d11;s10;s13;d13;s15;s15;s17;s18;s19;d20;s21;d22;s23;d24;s25;s26;s24d27;s23;s20d29;s9d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  5.936;  5.940,5.938,0.002,0.002,2.0,5.938,0.002
-YUCQEDZULBKWMG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL233914,CC(=O)NCCCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1,YUCQEDZULBKWMG,YUCQEDZULBKWMG-UHFFFAOYSA-N,"InChI=1S/C21H31N3O4/c1-12-18(21(27)28-17-11-15-6-7-16(17)10-15)13(2)24-19(12)20(26)23-9-5-4-8-22-14(3)25/h15-17,24H,4-11H2,1-3H3,(H,22,25)(H,23,26)","""AuxInfo=1/1/N:14,27,1,6,7,22,23,5,8,25,20,13,26,2,21,24,19,15,12,10,16,4,9,28,3,11,17,18/rA:28CCONCCCCNCOCCCCCOOCCCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s10;d12;s13;s13;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s21s24;d15;s26;s12s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-YUFBMWFDLBLHFG_on_P41594_WT,High,ChEMBL30,CHEMBL2403687,CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1,YUFBMWFDLBLHFG,YUFBMWFDLBLHFG-UHFFFAOYSA-N,"InChI=1S/C20H19FN2OS/c1-13-9-15(10-13)20(24)23-8-7-17-18(12-23)25-19(22-17)6-5-14-3-2-4-16(21)11-14/h2-4,11,13,15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,19,18,20,16,15,9,8,3,25,23,12,2,17,4,21,10,11,14,5,22,24,7,6,13/E:(9,10)/rA:25CCCCCONCCCCCSCCCCCCCCFCNC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s7s11;s11;s13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s10d14;s2s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254,PMID:23770058,2013.0,PMID:23770058,2013,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-YUGKHLDIYRMTTA_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771648,O=C(c1ccc(F)c(F)c1)N1CCCC1c1nc(-c2cccc(F)c2)no1,YUGKHLDIYRMTTA,YUGKHLDIYRMTTA-UHFFFAOYSA-N,"InChI=1S/C19H14F3N3O2/c20-13-4-1-3-11(9-13)17-23-18(27-24-17)16-5-2-8-25(16)19(26)12-6-7-14(21)15(22)10-12/h1,3-4,6-7,9-10,16H,2,5,8H2","""AuxInfo=1/0/N:21,13,20,22,14,4,5,12,25,10,19,3,23,6,8,15,18,16,2,24,7,9,17,26,11,1,27/rA:27OCCCCCFCFCNCCCCCNCCCCCCFCNO/rB:d1;s2;d3;s4;d5;s6;s6;s8;s3d8;s2;s11;s12;s13;s11s14;s15;d16;s17;s18;d19;s20;d21;s22;s23;s19d23;d18;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772559,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  5.430,5.43,0.0,0.0,1.0,5.43,0.0
-YUGQPTYNQHDELV_on_P31644_WT,High,ChEMBL30,CHEMBL3681491,Cc1c(COc2ccc(C(=O)NCCOC(C)C)cn2)c(-c2ccccc2)no1,YUGQPTYNQHDELV,YUGQPTYNQHDELV-UHFFFAOYSA-N,"InChI=1S/C22H25N3O4/c1-15(2)27-12-11-23-22(26)18-9-10-20(24-13-18)28-14-19-16(3)29-25-21(19)17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,26)","""AuxInfo=1/1/N:17,18,1,25,24,26,23,27,8,7,13,14,19,4,16,2,22,9,3,6,21,10,12,20,28,11,15,5,29/E:(1,2)(5,6)(7,8)/rA:29CCCCOCCCCCONCCOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s16;s9;s6d19;s3;s21;d22;s23;d24;s25;s22d26;d21;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-YUHHWFRRCMUUPA_on_Q05586_WT,High,ChEMBL30,CHEMBL401848,CS(=O)(=O)N(CC(=O)O)c1c2nc(O)c(O)nc2cc(Cl)c1Cl,YUHHWFRRCMUUPA,YUHHWFRRCMUUPA-UHFFFAOYSA-N,"InChI=1S/C11H9Cl2N3O6S/c1-23(21,22)16(3-6(17)18)9-7(13)4(12)2-5-8(9)15-11(20)10(19)14-5/h2H,3H2,1H3,(H,14,19)(H,15,20)(H,17,18)","""AuxInfo=1/1/N:1,19,6,20,18,7,22,11,10,15,13,21,23,17,12,5,8,9,16,14,3,4,2/E:(17,18)(21,22)/CRV:23.6/rA:23CSOONCCOOCCNCOCONCCCClCCl/rB:s1;d2;d2;s2;s5;s6;d7;s7;s5;d10;s11;d12;s13;s13;s15;d15;s11s17;d18;s19;s20;s10d20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL887322,PMID:17562362,2007.0,PMID:17562362,2007,1,0,0,0,0,,=,  8.700,8.7,0.0,0.0,1.0,8.7,0.0
-YULPNVZAMMFNRI_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3890158,Cc1c(S(=O)(=O)Cc2c(F)cccc2Cl)sc(NC(=O)c2ccccn2)n1,YULPNVZAMMFNRI,YULPNVZAMMFNRI-UHFFFAOYSA-N,"InChI=1S/C17H13ClFN3O3S2/c1-10-16(27(24,25)9-11-12(18)5-4-6-13(11)19)26-17(21-10)22-15(23)14-7-2-3-8-20-14/h2-8H,9H2,1H3,(H,21,22,23)","""AuxInfo=1/1/N:1,23,24,12,13,11,22,25,7,2,8,14,9,21,19,3,17,15,10,26,27,18,20,5,6,16,4/E:(24,25)/CRV:27.6/rA:27CCCSOOCCCFCCCCClSCNCOCCCCCNN/rB:s1;d2;s3;d4;d4;s4;s7;d8;s9;s9;d11;s12;s8d13;s14;s3;s16;s17;s18;d19;s19;d21;s22;d23;s24;s21d25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-YULRWMWOKWDWIL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3930919,COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl,YULRWMWOKWDWIL,YULRWMWOKWDWIL-UHFFFAOYSA-N,"InChI=1S/C23H17ClFN3O2/c1-30-23-21(24)15(8-9-27-23)10-13-2-7-17-18(14-3-5-16(25)6-4-14)12-20(22(26)29)28-19(17)11-13/h2-9,11-12H,10H2,1H3,(H2,26,29)","""AuxInfo=1/1/N:1,10,15,20,16,19,11,6,5,8,28,21,9,14,7,17,12,13,27,22,29,23,3,30,18,24,4,26,25,2/E:(3,4)(5,6)/rA:30COCNCCCCCCCCCCCCCFCCCCCNONCCCCl/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s17;s14d19;d13;s21;s22;s23;d23;d22;s12s26;s9d27;s3d7;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.250,7.25,0.0,0.0,1.0,7.25,0.0
-YUOOYQDBXTWPKL_on_O00591_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_O14764_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P14867_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P18505_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P18507_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P28472_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P31644_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P34903_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P47869_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P47870_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P48169_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_P78334_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_Q16445_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YUOOYQDBXTWPKL_on_Q99928_WT,Low,ChEMBL30,CHEMBL421983,O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1,YUOOYQDBXTWPKL,YUOOYQDBXTWPKL-UHFFFAOYSA-N,"InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2","""AuxInfo=1/0/N:7,6,20,21,8,17,24,4,18,5,10,15,16,11,2,19,23,12,22,13,1,14,3,9/CRV:20.5/rA:24OCOCCCCCSCCNN+O-CCCCClCCNNC/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s2;d10;s11;d12;s13;s13;d15;s16;d17;s18;s18;s15d20;s11s16;s22;s10d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650829,PMID:12477354,2002.0,PMID:12477354,2002,0,0,0,1,0,,=,  8.170,8.17,0.0,0.0,1.0,8.17,0.0
-YURGYLHYWPFNAA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3968939,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1,YURGYLHYWPFNAA,YURGYLHYWPFNAA-UHFFFAOYSA-N,"InChI=1S/C24H17FN4O/c25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29/h1-12,14H,13H2,(H2,26,30)","""AuxInfo=1/1/N:24,25,23,26,16,8,13,9,12,15,28,5,18,20,17,7,10,14,6,22,29,4,27,2,11,1,21,30,19,3/E:(6,7)(8,9)/rA:30NCOCCCCCCCFCCCCCCCNCNCCCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s25;s19s22d26;d17;s14s28;s4d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-YUSWMAULDXZHPY_on_O00591_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_O14764_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P14867_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650540;CHEMBL678813;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0;1;0,0,1;0;1,0,,=,  8.220;  5.440;  8.220,7.292999999999999,1.311,0.927,3.0,8.22,0.0
-YUSWMAULDXZHPY_on_P18505_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P18507_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678813;CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,1;0;0,0,0;1;1,0,,=,  5.440;  8.220;  8.220,7.292999999999999,1.311,0.927,3.0,8.22,0.0
-YUSWMAULDXZHPY_on_P28472_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P31644_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685374;CHEMBL650540,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P34903_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P47869_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P47870_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685374;CHEMBL678813;CHEMBL650540,PMID:12824018,2003.0,PMID:12824018,2003,0,0;1;0,0,1;0;1,0,,=,  8.220;  5.440;  8.220,7.292999999999999,1.311,0.927,3.0,8.22,0.0
-YUSWMAULDXZHPY_on_P48169_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_P78334_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685374;CHEMBL650540,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685374;CHEMBL650540,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_Q16445_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YUSWMAULDXZHPY_on_Q99928_WT,Low,ChEMBL30,CHEMBL63354,O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2,YUSWMAULDXZHPY,YUSWMAULDXZHPY-UHFFFAOYSA-N,"InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H","""AuxInfo=1/0/N:22,27,6,23,26,7,31,37,40,14,3,28,21,5,24,38,10,8,35,12,15,2,29,20,4,33,11,34,17,18,25,39,9,36,13,16,1,30,32,19/E:(1,2)(4,5)/rA:40OCCCCCCCOCCCOCCOCCOCCCCCOCCCCOCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s10;d11;s12;s12;d14;s15;s15;s11d17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;d20;s17s28;d29;s5d10;s4;s32;s2d33;s34;s35;d35;s37;s38;s33d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650540;CHEMBL685374,PMID:12824018,2003.0,PMID:12824018,2003,0,0,0,1,0,,=,  8.220;  8.220,8.22,0.0,0.0,2.0,8.22,0.0
-YVABYNVFORUBGP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3912345,NC(=O)c1cc(-c2ccccc2Br)c2ccccc2n1,YVABYNVFORUBGP,YVABYNVFORUBGP-UHFFFAOYSA-N,"InChI=1S/C16H11BrN2O/c17-13-7-3-1-5-10(13)12-9-15(16(18)20)19-14-8-4-2-6-11(12)14/h1-9H,(H2,18,20)","""AuxInfo=1/1/N:9,16,10,17,8,15,11,18,5,7,14,6,12,19,4,2,13,1,20,3/rA:20NCOCCCCCCCCCBrCCCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s7d11;s12;d6;s14;d15;s16;d17;s14s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-YVAHCWLEKOONFT_on_P18507_WT,Low,ChEMBL30,CHEMBL1783253,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)cc1,YVAHCWLEKOONFT,YVAHCWLEKOONFT-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,25,8,7,9,18,19,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(6,7)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17s18;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YVAHCWLEKOONFT_on_P28472_WT,Low,ChEMBL30,CHEMBL1783253,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)cc1,YVAHCWLEKOONFT,YVAHCWLEKOONFT-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,25,8,7,9,18,19,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(6,7)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17s18;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1787625,PMID:21498079,2011.0,PMID:21498079,2011,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YVAHCWLEKOONFT_on_P47869_WT,High,ChEMBL30,CHEMBL1783253,COc1cc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)cc1,YVAHCWLEKOONFT,YVAHCWLEKOONFT-UHFFFAOYSA-N,"InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)","""AuxInfo=1/1/N:1,25,8,7,9,18,19,27,26,4,17,3,6,10,5,23,11,22,13,14,12,16,21,20,15,2,24/E:(6,7)/rA:27COCCCCCCCCCNCCONCCCNNCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s11;s13;d14;s14;s16;s17;s17s18;d13;s20;s6s10d21;d5;s23;s24;s23;s3d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4403717,PMID:21498079,2011.0,PMID:31738537,2020,0,0,0,1,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-YVDZNYZIFGWCEP_on_O15399_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.960;  6.170,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_O60391_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.170;  5.960,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.960;  6.170,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_Q05586_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.170;  5.960,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_Q12879_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.170;  5.960,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_Q13224_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.170;  5.960,6.065,0.105,0.105,2.0,6.065,0.105
-YVDZNYZIFGWCEP_on_Q14957_WT,Low,ChEMBL30,CHEMBL337277,CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C,YVDZNYZIFGWCEP,YVDZNYZIFGWCEP-UHFFFAOYSA-N,"InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,21,14,15,13,8,9,16,18,19,10,5,7,4,12,6,11,17,2,20/E:(1,2)/rA:21CNCCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;d4;s5;d6;s7;s4d8;s7;s10;s11;s12;s13;s14;s15;s6s12s16;s17;s18;s11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.960;  6.170,6.065,0.105,0.105,2.0,6.065,0.105
-YVIVUMAFAKNWHC_on_P14867_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.360,6.36,0.0,0.0,1.0,6.36,0.0
-YVIVUMAFAKNWHC_on_P18507_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240;  6.920;  6.640;  6.360,6.79,0.327,0.18899999999999997,4.0,6.78,0.28
-YVIVUMAFAKNWHC_on_P28472_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.360;  7.240;  6.640;  6.920,6.79,0.327,0.18899999999999997,4.0,6.78,0.28
-YVIVUMAFAKNWHC_on_P31644_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-YVIVUMAFAKNWHC_on_P34903_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-YVIVUMAFAKNWHC_on_P47869_WT,Low,ChEMBL30,CHEMBL180224,c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1,YVIVUMAFAKNWHC,YVIVUMAFAKNWHC-UHFFFAOYSA-N,"InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)22-25-26-23-21-16-11-9-15(10-12-16)20(21)18(27-28(22)23)14-29-19-8-4-5-13-24-19/h1-8,13,15-16H,9-12,14H2","""AuxInfo=1/0/N:1,2,29,18,17,3,28,19,23,27,24,26,16,12,22,25,4,11,14,10,9,5,8,15,6,7,20,21,13/E:(2,3)(6,7)(9,10)(11,12)/rA:29CCCCCNNCCCCCOCNCCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;d11;s5s8s20;s10;s22;s23;s9s24;s25;s22s26;s4;s1d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-YVLMFHXAYDTZPL_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3954184,O=C(Nc1ncc(SCc2ccc(Cl)cc2F)s1)c1ccccn1,YVLMFHXAYDTZPL,YVLMFHXAYDTZPL-UHFFFAOYSA-N,"InChI=1S/C16H11ClFN3OS2/c17-11-5-4-10(12(18)7-11)9-23-14-8-20-16(24-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)","""AuxInfo=1/1/N:21,22,20,11,12,23,15,6,9,10,13,16,19,7,2,4,14,17,24,5,3,1,8,18/rA:24OCNCNCCSCCCCCClCCFSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s13;s10d15;s16;s4s7;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-YVNDLPWNERWEJX_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,53388196;CHEMBL1830912,CCNc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1,YVNDLPWNERWEJX,YVNDLPWNERWEJX-UHFFFAOYSA-N,"InChI=1S/C16H18N6S/c1-2-17-13-7-4-8-14(19-13)20-16-21-15-10-9-18-22-11(10)5-3-6-12(15)23-16/h4,7-9H,2-3,5-6H2,1H3,(H,18,22)(H2,17,19,20,21)","""AuxInfo=1/1/N:1,2,13,22,14,12,23,21,17,16,15,11,4,6,10,8,3,18,5,7,9,19,20/rA:23CCNCNCNCNCCCCCCCCNNSCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;s13;s14;s10d15;s16;d17;s15s18;s8s11;d6;s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:618715;CHEMBL1831599,PMID:21688779,2011.0,PubChemAID:618715;PMID:21688779,2012;2011,0,0;1,0,0,1;0,,=,  6.222;  6.220,6.221,0.001,0.001,2.0,6.221,0.001
-YVNGZCUBBHDURE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108936,Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1,YVNGZCUBBHDURE,YVNGZCUBBHDURE-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O2/c1-13-10-15(6-8-26-13)19-18-7-9-29-17(11-22)12-28(18)20(27-19)14-2-4-16(5-3-14)30-21(23,24)25/h2-6,8,10,17H,7,9,11-12H2,1H3","""AuxInfo=1/0/N:1,17,26,18,25,28,7,29,8,3,11,13,2,16,4,19,10,6,5,15,21,12,22,23,24,30,27,14,9,20/E:(2,3)(4,5)(23,24,25)/rA:30CCCCCCCCOCCFCNCCCCCOCFFFCCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s10;s6s13;s14;s15;d16;s17;d18;s19;s20;s21;s21;s21;s19;s16d25;s5d15;d4;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.590,7.59,0.0,0.0,1.0,7.59,0.0
-YVOZFLJTVFUSAR_on_Q13255_WT,High,ChEMBL30,CHEMBL571687,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cccnc2)cs1,YVOZFLJTVFUSAR,YVOZFLJTVFUSAR-UHFFFAOYSA-N,"InChI=1S/C16H12FN3OS/c1-20(15(21)11-4-6-13(17)7-5-11)16-19-14(10-22-16)12-3-2-8-18-9-12/h2-10H,1H3","""AuxInfo=1/0/N:1,17,16,6,11,7,10,18,20,21,5,15,8,14,3,12,9,19,13,2,4,22/E:(4,5)(6,7)/rA:22CNCOCCCCFCCCNCCCCCNCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  6.640,6.64,0.0,0.0,1.0,6.64,0.0
-YVPJMZCJVHJOFG_on_P14867_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822165;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  8.010;  8.010,8.01,0.0,0.0,2.0,8.01,0.0
-YVPJMZCJVHJOFG_on_P18507_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683045;CHEMBL824296;CHEMBL678329;CHEMBL823916;CHEMBL822165;CHEMBL685338;CHEMBL683047;CHEMBL681480;CHEMBL682251;CHEMBL681248,PMID:9767648,1998.0,PMID:10633039;PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:10633039,2000;1998;2000;1998;1998;1998;1998;2000;2000;2000,0,0,0,1,0,,=,  8.340;  7.950;  8.010;  7.960;  8.010;  9.420;  8.340;  9.420;  7.960;  7.950,8.336,0.561,0.187,10.0,8.01,0.06
-YVPJMZCJVHJOFG_on_P28472_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL822165;CHEMBL681480;CHEMBL823916;CHEMBL685338;CHEMBL824296;CHEMBL682251;CHEMBL683045;CHEMBL683047;CHEMBL681248;CHEMBL678329,PMID:9767648,1998.0,PMID:9767648;PMID:10633039;PMID:9767648;PMID:9767648;PMID:9767648;PMID:10633039;PMID:10633039;PMID:9767648;PMID:10633039;PMID:10633039,1998;2000;1998;1998;1998;2000;2000;1998;2000;2000,0,0,0,1,0,,=,  8.010;  9.420;  7.960;  9.420;  7.950;  7.960;  8.340;  8.340;  7.950;  8.010,8.336,0.561,0.187,10.0,8.01,0.06
-YVPJMZCJVHJOFG_on_P31644_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480;CHEMBL685338,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  9.420;  9.420,9.42,0.0,0.0,2.0,9.42,0.0
-YVPJMZCJVHJOFG_on_P34903_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251;CHEMBL823916,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  7.960;  7.960,7.96,0.0,0.0,2.0,7.96,0.0
-YVPJMZCJVHJOFG_on_P47869_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL824296;CHEMBL681248,PMID:9767648,1998.0,PMID:9767648;PMID:10633039,1998;2000,0,0,0,1,0,,=,  7.950;  7.950,7.95,0.0,0.0,2.0,7.95,0.0
-YVPJMZCJVHJOFG_on_Q16445_WT,Low,ChEMBL30,CHEMBL6659,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O,YVPJMZCJVHJOFG,YVPJMZCJVHJOFG-UHFFFAOYSA-N,"InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3","""AuxInfo=1/0/N:10,11,12,1,21,22,18,3,14,19,17,16,4,5,23,6,9,20,13,2,15,24,7,8/E:(1,2,3)/rA:24CNCCCCOOCCCCNCNCCCCICCCO/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5;d13;s4s14;s15;d16;s17;d18;s19;s19;s16d21;s2s17;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045;CHEMBL683047,PMID:9767648,1998.0,PMID:10633039;PMID:9767648,2000;1998,0,0,0,1,0,,=,  8.340;  8.340,8.34,0.0,0.0,2.0,8.34,0.0
-YVRFSXFVZYSIMZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL593969,CS(=O)(=O)Nc1ccc(CCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1,YVRFSXFVZYSIMZ,YVRFSXFVZYSIMZ-UHFFFAOYSA-N,"InChI=1S/C20H23Cl2N3O3S/c1-29(27,28)23-16-5-2-15(3-6-16)4-9-20(26)25-12-10-24(11-13-25)17-7-8-18(21)19(22)14-17/h2-3,5-8,14,23H,4,9-13H2,1H3","""AuxInfo=1/0/N:1,8,28,10,7,29,25,24,11,16,26,15,27,19,9,6,18,22,20,12,23,21,5,17,14,13,3,4,2/E:(2,3)(5,6)(10,11)(12,13)(27,28)/CRV:29.6/rA:29CSOONCCCCCCCONCCNCCCClCClCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s17;s14s26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-YVRFSXFVZYSIMZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL593969,CS(=O)(=O)Nc1ccc(CCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1,YVRFSXFVZYSIMZ,YVRFSXFVZYSIMZ-UHFFFAOYSA-N,"InChI=1S/C20H23Cl2N3O3S/c1-29(27,28)23-16-5-2-15(3-6-16)4-9-20(26)25-12-10-24(11-13-25)17-7-8-18(21)19(22)14-17/h2-3,5-8,14,23H,4,9-13H2,1H3","""AuxInfo=1/0/N:1,8,28,10,7,29,25,24,11,16,26,15,27,19,9,6,18,22,20,12,23,21,5,17,14,13,3,4,2/E:(2,3)(5,6)(10,11)(12,13)(27,28)/CRV:29.6/rA:29CSOONCCCCCCCONCCNCCCClCClCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;s20;d20;s22;s22;s18d24;s17;s14s26;s9;s6d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-YVSVTYLMAIUAJI_on_Q14416_WT,High,ChEMBL30,CHEMBL3221845,CCCn1ccc2c(cccc2N(Cl)CCc2ccccc2)c1=O,YVSVTYLMAIUAJI,YVSVTYLMAIUAJI-UHFFFAOYSA-N,"InChI=1S/C20H21ClN2O/c1-2-13-22-14-12-17-18(20(22)24)9-6-10-19(17)23(21)15-11-16-7-4-3-5-8-16/h3-10,12,14H,2,11,13,15H2,1H3","""AuxInfo=1/0/N:1,2,20,19,21,10,18,22,9,11,16,6,3,5,15,17,7,8,12,23,14,4,13,24/E:(4,5)(7,8)/rA:24CCCNCCCCCCCCNClCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s13;s15;s16;d17;s18;d19;s20;s17d21;s4s8;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-YVTIEXKHDRKBSM_on_P14867_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-YVTIEXKHDRKBSM_on_P18507_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL678329;CHEMBL682251;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.700;  8.660;  7.790;  7.940,7.772,0.701,0.405,4.0,7.865,0.435
-YVTIEXKHDRKBSM_on_P28472_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL681480;CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.940;  8.660;  6.700;  7.790,7.773,0.701,0.405,4.0,7.865,0.435
-YVTIEXKHDRKBSM_on_P31644_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-YVTIEXKHDRKBSM_on_P34903_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.790,7.79,0.0,0.0,1.0,7.79,0.0
-YVTIEXKHDRKBSM_on_P47869_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.940,7.94,0.0,0.0,1.0,7.94,0.0
-YVTIEXKHDRKBSM_on_Q16445_WT,Low,ChEMBL30,CHEMBL173193,c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2,YVTIEXKHDRKBSM,YVTIEXKHDRKBSM-UHFFFAOYSA-N,"InChI=1S/C16H10N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8,19H,(H,17,20)","""AuxInfo=1/1/N:2,1,18,3,19,6,17,13,4,14,5,8,9,11,10,15,16,12,7,20/rA:20CCCCCCNCCCCNCCCNCCCN/rB:d1;s2;d3;s4;s1d5;s5;s7;s4d8;s9;d10;s11;s8d12;s11;d14;s15;d16;s17;s14d18;s10s15;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YVULZYAWVWJKCG_on_Q13255_WT,High,ChEMBL30,CHEMBL3785852,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C)C3=O)cc2)occ1,YVULZYAWVWJKCG,YVULZYAWVWJKCG-UHFFFAOYSA-N,"InChI=1S/C21H17ClN2O3/c1-12-4-3-5-15-16(12)11-24(21(15)26)18-7-6-14(10-17(18)22)23-20(25)19-13(2)8-9-27-19/h3-10H,11H2,1-2H3,(H,23,25)","""AuxInfo=1/1/N:20,1,17,18,16,24,23,27,26,8,13,19,2,7,15,14,9,11,3,4,21,10,6,12,5,22,25/rA:27CCCCONCCCClCNCCCCCCCCCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s12s15;d21;s11;s7d23;s3;s25;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.970;  5.960,5.965,0.005,0.005,2.0,5.965,0.005
-YVVYXOQGXOJEMV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3897968,[C-]#[N+]c1ccc(CCc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1,YVVYXOQGXOJEMV,YVVYXOQGXOJEMV-UHFFFAOYSA-N,"InChI=1S/C25H19FN4O2/c1-28-24-10-6-16(14-29-24)4-3-15-5-8-19-20(13-23(25(27)31)30-22(19)11-15)18-9-7-17(32-2)12-21(18)26/h5-14H,3-4H2,2H3,(H2,27,31)","""AuxInfo=1/1/N:1,19,8,7,10,5,16,11,15,4,30,20,23,31,9,6,17,14,12,13,21,29,24,3,25,22,26,2,32,28,27,18/CRV:1-1,28+1/rA:32C-N+CCCCCCCCCCCCCCCOCCCFCCCNONCCCN/rB:t1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;s18;s17;s14d20;s21;d13;s23;s24;s25;d25;d24;s12s28;s9d29;s6;s3d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-YVVZOERJABRYLA_on_P41594_WT,High,ChEMBL30,CHEMBL3702419,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc[nH]4)C3=C2)cn1,YVVZOERJABRYLA,YVVZOERJABRYLA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-29-12-14-11-26(13-25-14)19-9-18-16-3-2-4-17(21-22-6-7-23-21)15(16)5-8-27(18)20(28)10-24-19/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,18,17,19,14,23,24,13,27,9,5,3,28,4,15,16,20,26,7,10,21,22,25,8,29,6,12,11,2/E:(6,7)(22,23)/rA:29COCCCNCNCCONCCCCCCCCCNCCNCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s21s24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-YVVZOERJABRYLA_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702419,COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc[nH]4)C3=C2)cn1,YVVZOERJABRYLA,YVVZOERJABRYLA-UHFFFAOYSA-N,"InChI=1S/C21H20N6O2/c1-29-12-14-11-26(13-25-14)19-9-18-16-3-2-4-17(21-22-6-7-23-21)15(16)5-8-27(18)20(28)10-24-19/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,18,17,19,14,23,24,13,27,9,5,3,28,4,15,16,20,26,7,10,21,22,25,8,29,6,12,11,2/E:(6,7)(22,23)/rA:29COCCCNCNCCONCCCCCCCCCNCCNCCCN/rB:s1;s2;s3;d4;s5;s6;w?7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;s15d19;s20;d21;s22;d23;s21s24;s12s16;s7w?26;s6;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-YVWXHNFHRRTTGD_on_O15399_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YVWXHNFHRRTTGD_on_O60391_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YVWXHNFHRRTTGD_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YVWXHNFHRRTTGD_on_Q05586_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330;  7.340,7.335,0.005,0.005,2.0,7.335,0.005
-YVWXHNFHRRTTGD_on_Q12879_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YVWXHNFHRRTTGD_on_Q13224_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL857544;CHEMBL752265,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330;  7.340,7.335,0.005,0.005,2.0,7.335,0.005
-YVWXHNFHRRTTGD_on_Q14957_WT,Low,ChEMBL30,CHEMBL419784,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1,YVWXHNFHRRTTGD,YVWXHNFHRRTTGD-UHFFFAOYSA-N,"InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2","""AuxInfo=1/0/N:22,21,23,20,24,11,10,15,25,14,26,4,7,18,19,5,8,16,6,3,2,12,13,9,1,17/E:(2,3)(4,5)(8,9)(10,11)/rA:26OCCCCCCCOCCNNCCCOCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s16;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-YVYLWUFSJREXHZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594107,C=C(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,YVYLWUFSJREXHZ,YVYLWUFSJREXHZ-UHFFFAOYSA-N,"""InChI=1S/C22H36O4S.C5H5N/c1-14(2)18-7-8-19-17-6-5-15-13-16(26-27(23,24)25)9-11-21(15,3)20(17)10-12-22(18,19)4;1-2-4-6-5-3-1/h15-20H,1,5-13H2,2-4H3,(H,23,24,25);1-5H""","""AuxInfo=1/1/N:1,3,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,16,17,18,14,15;28,29,33,30,32,31/E:(23,24,25);(2,3)(4,5)/CRV:27.6;/rA:33CCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-YVYLWUFSJREXHZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594107,C=C(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1,YVYLWUFSJREXHZ,YVYLWUFSJREXHZ-UHFFFAOYSA-N,"""InChI=1S/C22H36O4S.C5H5N/c1-14(2)18-7-8-19-17-6-5-15-13-16(26-27(23,24)25)9-11-21(15,3)20(17)10-12-22(18,19)4;1-2-4-6-5-3-1/h15-20H,1,5-13H2,2-4H3,(H,23,24,25);1-5H""","""AuxInfo=1/1/N:1,3,22,27,10,9,5,6,19,24,20,25,12,2,11,13,8,4,7,23,21,26,16,17,18,14,15;28,29,33,30,32,31/E:(23,24,25);(2,3)(4,5)/CRV:27.6;/rA:33CCCCCCCCCCCCCOSOOOCCCCCCCCCCCCNCC/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;d15;s15;s13;s19;s11s20;s21;s8s21;s23;s24;s4s7s25;s26;;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-YWBDXABNUZCLFT_on_P18507_WT,Low,ChEMBL30,CHEMBL440977,CCCCc1cnnn1-c1c(Cl)cccc1Cl,YWBDXABNUZCLFT,YWBDXABNUZCLFT-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-15-16-17(9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,14,4,13,15,6,5,11,16,10,12,17,7,8,9/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNNNCCClCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s10d15;s16;/rC:;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YWBDXABNUZCLFT_on_P47869_WT,Low,ChEMBL30,CHEMBL440977,CCCCc1cnnn1-c1c(Cl)cccc1Cl,YWBDXABNUZCLFT,YWBDXABNUZCLFT-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-15-16-17(9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,14,4,13,15,6,5,11,16,10,12,17,7,8,9/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNNNCCClCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s10d15;s16;/rC:;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YWBDXABNUZCLFT_on_P47870_WT,Low,ChEMBL30,CHEMBL440977,CCCCc1cnnn1-c1c(Cl)cccc1Cl,YWBDXABNUZCLFT,YWBDXABNUZCLFT-UHFFFAOYSA-N,"InChI=1S/C12H13Cl2N3/c1-2-3-5-9-8-15-16-17(9)12-10(13)6-4-7-11(12)14/h4,6-8H,2-3,5H2,1H3","""AuxInfo=1/0/N:1,2,3,14,4,13,15,6,5,11,16,10,12,17,7,8,9/E:(6,7)(10,11)(13,14)/rA:17CCCCCCNNNCCClCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s9;d10;s11;s11;d13;s14;s10d15;s16;/rC:;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,<,  5.039,5.039,0.0,0.0,1.0,5.039,0.0
-YWGOCCQPXCAVAO_on_Q13255_WT,Low,ChEMBL30,CHEMBL3785911,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccn4)C3=O)cc2)occ1,YWGOCCQPXCAVAO,YWGOCCQPXCAVAO-UHFFFAOYSA-N,"InChI=1S/C19H14ClN3O3/c1-11-6-8-26-17(11)18(24)22-12-4-5-16(14(20)9-12)23-10-15-13(19(23)25)3-2-7-21-15/h2-9H,10H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,16,23,22,26,18,25,8,13,2,7,15,9,14,11,3,4,20,10,19,6,12,5,21,24/rA:26CCCCONCCCClCNCCCCCCNCOCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;d20;s11;s7d22;s3;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,<;>,  5.000;  5.000,5.0,0.0,0.0,2.0,5.0,0.0
-YWMQQNHTGSAUQY_on_Q14416_WT,High,ChEMBL30,CHEMBL4087196,Fc1c(NC2CC2)ccc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)c1,YWMQQNHTGSAUQY,YWMQQNHTGSAUQY-UHFFFAOYSA-N,"InChI=1S/C20H18F4N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2","""AuxInfo=1/0/N:23,24,9,6,7,8,27,26,21,28,22,10,5,11,2,3,20,12,17,13,1,14,15,16,4,19,18,25/E:(1,2)(4,5)(22,23,24)/rA:28FCCNCCCCCCCCCFFFCNNCCCCCNCCC/rB:s1;d2;s3;s4;s5;s5s6;s3;d8;s9;s10;d11;s12;s13;s13;s13;s12;d17;s18;d19;s20;s21;s22;s22s23;s17s20;s25;s11d26;s2d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040507;CHEMBL4040508,PMID:28704052,2017.0,PMID:28704052,2017,0,0;0;1,0;1;0,1;0;0,0,,=,  8.440;  8.960;  7.520,8.307,0.595,0.42100000000000004,3.0,8.44,0.52
-YWQAVBIVXGNXCA_on_P41594_WT,Medium,ChEMBL30,CHEMBL184337,Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cc1,YWQAVBIVXGNXCA,YWQAVBIVXGNXCA-UHFFFAOYSA-N,"InChI=1S/C19H14FN5/c1-13-5-7-14(8-6-13)15-10-16(20)12-17(11-15)25-23-19(22-24-25)18-4-2-3-9-21-18/h2-12H,1H3","""AuxInfo=1/0/N:1,20,19,21,3,25,4,24,18,7,23,10,2,5,6,8,11,16,15,9,17,14,22,13,12/E:(5,6)(7,8)/rA:25CCCCCCCCFCCNNNCCNCCCCNCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d8;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s6d11;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  5.830,5.83,0.0,0.0,1.0,5.83,0.0
-YWQJYKCSHSTIRB_on_P41594_WT,High,ChEMBL30,CHEMBL214542,Cc1cccc(C#CCCc2ccccc2)n1,YWQJYKCSHSTIRB,YWQJYKCSHSTIRB-UHFFFAOYSA-N,"InChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3","""AuxInfo=1/0/N:1,14,13,15,9,8,4,3,12,16,10,7,5,2,11,6,17/E:(3,4)(9,10)/rA:17CCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;s9;s10;d11;s12;d13;s14;s11d15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL856303,PMID:16837196,2006.0,PMID:16837196,2006,1,0,0,0,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-YWSLBOQDZCGRSR_on_Q14416_WT,High,ChEMBL30,CHEMBL1669392,CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccccc4)nc3)c2)c1=O,YWSLBOQDZCGRSR,YWSLBOQDZCGRSR-UHFFFAOYSA-N,"InChI=1S/C23H19ClN2O2/c1-2-11-26-12-10-16-13-18(14-20(24)22(16)23(26)27)17-8-9-21(25-15-17)28-19-6-4-3-5-7-19/h3-10,12-15H,2,11H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,19,23,14,15,6,3,5,26,11,25,7,13,12,18,9,16,8,27,10,24,4,28,17/E:(4,5)(6,7)/rA:28CCCNCCCCCClCCCCCCOCCCCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13d24;s7d12;s4s8;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-YWSNJWSAQDJCBJ_on_P41594_WT,High,ChEMBL30,CHEMBL2164560,Brc1cc(-c2nc(-c3ncccc3)no2)ccc1,YWSNJWSAQDJCBJ,YWSNJWSAQDJCBJ-UHFFFAOYSA-N,InChI=1S/C13H8BrN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H,"""AuxInfo=1/0/N:12,11,17,16,18,13,10,3,4,2,8,7,5,1,9,6,14,15/rA:18BrCCCCNCCNCCCCNOCCC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-YWTUAPLXBMYELT_on_Q05586_WT,Low,ChEMBL30,CHEMBL1269130,NCCCNCCCCNCCCNC(=O)C(CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1,YWTUAPLXBMYELT,YWTUAPLXBMYELT-UHFFFAOYSA-N,"InChI=1S/C30H52N6O3/c31-17-10-20-32-18-7-8-19-33-21-11-23-35-30(39)27(36-29(38)26-14-5-2-6-15-26)16-9-22-34-28(37)24-25-12-3-1-4-13-25/h1,3-4,12-13,26-27,32-33H,2,5-11,14-24,31H2,(H,34,37)(H,35,39)(H,36,38)","""AuxInfo=1/1/N:28,37,27,29,36,38,7,8,19,3,12,26,30,35,39,18,2,6,9,4,11,20,13,24,25,34,17,22,32,15,1,5,10,21,14,31,23,33,16/E:(3,4)(5,6)(12,13)(14,15)/rA:39NCCCNCCCCNCCCNCOCCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;d22;s22;s24;d25;s26;d27;s28;s25d29;s17;s31;d32;s32;s34;s35;s36;s37;s34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-YWTUAPLXBMYELT_on_Q12879_WT,Low,ChEMBL30,CHEMBL1269130,NCCCNCCCCNCCCNC(=O)C(CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1,YWTUAPLXBMYELT,YWTUAPLXBMYELT-UHFFFAOYSA-N,"InChI=1S/C30H52N6O3/c31-17-10-20-32-18-7-8-19-33-21-11-23-35-30(39)27(36-29(38)26-14-5-2-6-15-26)16-9-22-34-28(37)24-25-12-3-1-4-13-25/h1,3-4,12-13,26-27,32-33H,2,5-11,14-24,31H2,(H,34,37)(H,35,39)(H,36,38)","""AuxInfo=1/1/N:28,37,27,29,36,38,7,8,19,3,12,26,30,35,39,18,2,6,9,4,11,20,13,24,25,34,17,22,32,15,1,5,10,21,14,31,23,33,16/E:(3,4)(5,6)(12,13)(14,15)/rA:39NCCCNCCCCNCCCNCOCCCCNCOCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;s20;s21;d22;s22;s24;d25;s26;d27;s28;s25d29;s17;s31;d32;s32;s34;s35;s36;s37;s34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL1274347,PMID:20873775,2010.0,PMID:20873775,2010,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-YWUPMKDQVIKKNJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,24762469;CHEMBL1290332,O=C(COCc1cncs1)N1CCN(c2ccc(Cl)cc2Cl)CC1,YWUPMKDQVIKKNJ,YWUPMKDQVIKKNJ-UHFFFAOYSA-N,"InChI=1S/C16H17Cl2N3O2S/c17-12-1-2-15(14(18)7-12)20-3-5-21(6-4-20)16(22)10-23-9-13-8-19-11-24-13/h1-2,7-8,11H,3-6,9-10H2","""AuxInfo=1/0/N:17,16,13,23,12,24,20,7,5,3,9,18,6,21,15,2,19,22,8,14,11,1,4,10/E:(3,4)(5,6)/rA:24OCCOCCCNCSNCCNCCCCClCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s6s9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s18;s15d20;s21;s14;s11s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:539642;CHEMBL1292204,PMID:21067920,2010.0,PubChemAID:539642;PMID:21067920,2011;2010,0,0;1,0,0,1;0,,=,  5.893;  5.890,5.891,0.002,0.002,2.0,5.891,0.002
-YWVNAIWRDXBOOS_on_P14867_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YWVNAIWRDXBOOS_on_P18507_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.470;  8.470;  9.150;  9.700,8.947000000000001,0.516,0.298,4.0,8.81,0.34
-YWVNAIWRDXBOOS_on_P28472_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829006;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.150;  8.470;  8.470;  9.700,8.947000000000001,0.516,0.298,4.0,8.81,0.34
-YWVNAIWRDXBOOS_on_P31644_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.700,9.7,0.0,0.0,1.0,9.7,0.0
-YWVNAIWRDXBOOS_on_P34903_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.150,9.15,0.0,0.0,1.0,9.15,0.0
-YWVNAIWRDXBOOS_on_P47869_WT,Low,ChEMBL30,CHEMBL178677,Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1,YWVNAIWRDXBOOS,YWVNAIWRDXBOOS-UHFFFAOYSA-N,"InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3","""AuxInfo=1/0/N:1,30,15,14,16,13,17,25,27,24,28,31,3,6,2,29,26,23,12,5,21,22,11,20,8,4,18,19,9,10,7/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNCCOCNNCCCCCCCNNCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s5;s29;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YWZHEOSSJGFKBA_on_P41594_WT,Low,ChEMBL30,CHEMBL577729,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(N)ncn2)cs1,YWZHEOSSJGFKBA,YWZHEOSSJGFKBA-UHFFFAOYSA-N,"InChI=1S/C15H12FN5OS/c1-21(14(22)9-2-4-10(16)5-3-9)15-20-12(7-23-15)11-6-13(17)19-8-18-11/h2-8H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,6,11,7,10,16,22,20,5,8,15,14,17,3,12,9,18,21,19,13,2,4,23/E:(2,3)(4,5)/rA:23CNCOCCCCFCCCNCCCCNNCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1046438,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YWZHEOSSJGFKBA_on_Q13255_WT,High,ChEMBL30,CHEMBL577729,CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(N)ncn2)cs1,YWZHEOSSJGFKBA,YWZHEOSSJGFKBA-UHFFFAOYSA-N,"InChI=1S/C15H12FN5OS/c1-21(14(22)9-2-4-10(16)5-3-9)15-20-12(7-23-15)11-6-13(17)19-8-18-11/h2-8H,1H3,(H2,17,18,19)","""AuxInfo=1/1/N:1,6,11,7,10,16,22,20,5,8,15,14,17,3,12,9,18,21,19,13,2,4,23/E:(2,3)(4,5)/rA:23CNCOCCCCFCCCNCCCCNNCNCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;s17;d17;s19;s15d20;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-YXGPPFVMBDTXPF_on_P41594_WT,High,ChEMBL30,CHEMBL403338,Cc1cn2cc(CN3CCCCC3)cc2c(C#Cc2ccccc2)n1,YXGPPFVMBDTXPF,YXGPPFVMBDTXPF-UHFFFAOYSA-N,"InChI=1S/C22H23N3/c1-18-15-25-17-20(16-24-12-6-3-7-13-24)14-22(25)21(23-18)11-10-19-8-4-2-5-9-19/h2,4-5,8-9,14-15,17H,3,6-7,12-13,16H2,1H3","""AuxInfo=1/0/N:1,22,11,21,23,10,12,20,24,18,17,9,13,14,3,7,5,2,19,6,16,15,25,8,4/E:(4,5)(6,7)(8,9)(12,13)/rA:25CCCNCCCNCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s11;s8s12;s6;s4d14;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s2d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-YXIYNYHJKIHTJY_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70687688;CHEMBL2022170,CN1CCC(=O)N=C1NC(=S)Nc1cc(Cl)ccc1,YXIYNYHJKIHTJY,YXIYNYHJKIHTJY-UHFFFAOYSA-N,"InChI=1S/C12H13ClN4OS/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-4,7H,5-6H2,1H3,(H2,14,15,16,18,19)","""AuxInfo=1/1/N:1,18,17,19,4,3,14,15,13,5,8,10,16,12,7,9,2,6,11/rA:19CNCCCONCNCSNCCCClCCC/rB:s1;s2;s3;s4;d5;s5;s2w?7;s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  6.244;  6.240,6.242000000000001,0.002,0.002,2.0,6.242000000000001,0.002
-YXJDMJIFDXMFEG_on_P41594_WT,Medium,ChEMBL30,CHEMBL3908373,CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C,YXJDMJIFDXMFEG,YXJDMJIFDXMFEG-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O/c1-20(2)12-17(19(24)23(20)3)18-10-9-15(13-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-11,13,17H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,14,13,15,11,10,8,7,18,21,19,12,9,16,5,6,3,22,17,20,2,4/E:(1,2)/rA:24CNCOCCCCCCCCCCCCFCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s16;s12d16;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-YXLQKZHKWIKJKC_on_O15399_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_O60391_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_Q05586_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_Q12879_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_Q13224_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXLQKZHKWIKJKC_on_Q14957_WT,Low,ChEMBL30,CHEMBL94859,Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1,YXLQKZHKWIKJKC,YXLQKZHKWIKJKC-UHFFFAOYSA-N,"InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)","""AuxInfo=1/1/N:1,8,7,9,6,5,14,11,10,4,18,16,3,2,15,12,13,17/E:(16,17)/rA:18CNNNCCCCCNCOOCONON/rB:s1;s2;d3;s4;s5;d6;s7;s8;s9;s9;d11;s11;s7;s14;d14;s6s16;s2d5;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751682,PMID:9288165,1997.0,PMID:9288165,1997,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YXMJFMIXRKCUHW_on_P14867_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600,6.6,0.0,0.0,1.0,6.6,0.0
-YXMJFMIXRKCUHW_on_P18507_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826;CHEMBL681841;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.130;  6.600;  6.570;  6.750,6.763,0.223,0.129,4.0,6.675,0.09
-YXMJFMIXRKCUHW_on_P28472_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL676826;CHEMBL681841;CHEMBL678745;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.600;  6.570;  7.130;  6.750,6.763,0.223,0.129,4.0,6.675,0.09
-YXMJFMIXRKCUHW_on_P31644_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.130,7.13,0.0,0.0,1.0,7.13,0.0
-YXMJFMIXRKCUHW_on_P34903_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.750,6.75,0.0,0.0,1.0,6.75,0.0
-YXMJFMIXRKCUHW_on_P47869_WT,Low,ChEMBL30,CHEMBL298501,c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1,YXMJFMIXRKCUHW,YXMJFMIXRKCUHW-UHFFFAOYSA-N,"InChI=1S/C20H14N4O2/c1-2-7-14(8-3-1)18-21-22-19-16-10-4-5-11-17(16)20(23-24(18)19)26-13-15-9-6-12-25-15/h1-12H,13H2","""AuxInfo=1/0/N:1,2,26,13,12,20,3,25,19,14,11,21,17,4,18,9,10,5,8,15,6,7,23,24,22,16/E:(2,3)(7,8)/rA:26CCCCCNNCCCCCCCCOCCCCCONNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s10;s15;s16;s17;d18;s19;d20;s18s21;d15;s5s8s23;s4;s1d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-YXUGSFGCRDCTSL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3950864,COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1C,YXUGSFGCRDCTSL,YXUGSFGCRDCTSL-UHFFFAOYSA-N,"InChI=1S/C25H24N4O2/c1-15-10-19(7-9-24(15)31-3)21-12-23(25(26)30)29-22-11-17(6-8-20(21)22)4-5-18-13-27-16(2)28-14-18/h6-14H,4-5H2,1-3H3,(H2,26,30)","""AuxInfo=1/1/N:31,25,1,19,20,17,5,16,4,29,28,8,22,27,30,24,18,21,6,15,7,14,9,3,10,11,23,26,13,12,2/E:(13,14)(27,28)/rA:31COCCCCCCCCNONCCCCCCCCCNCCNCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;s10;d10;d9;s13;s7d14;s15;d16;s17;s18;s19;s20;d21;s22;d23;s24;s24;s21d26;s14d18;s6;s3d29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-YXVSPMGOYCGMOO_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44089716;CHEMBL2069378,Cc1ccc(N2CC(c3nc(-c4cc(F)ccc4)no3)CC2=O)cc1,YXVSPMGOYCGMOO,YXVSPMGOYCGMOO-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3","""AuxInfo=1/0/N:1,17,18,16,3,25,4,24,13,21,7,2,12,8,14,5,22,11,9,15,10,19,6,23,20/E:(5,6)(7,8)/rA:25CCCCCNCCCNCCCCFCCCNOCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;s14;d14;s16;s12d17;d11;s9s19;s8;s6s21;d22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:676851;CHEMBL2072730,PMID:22832311,2012.0,PubChemAID:676851;PMID:22832311,2013;2012,0,0;1,0,0,1;0,,=,  5.921;  5.920,5.921,0.001,0.001,2.0,5.921,0.001
-YXVYIOIEKOAGIT_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797797,CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1,YXVYIOIEKOAGIT,YXVYIOIEKOAGIT-UHFFFAOYSA-N,"InChI=1S/C19H22FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,12,13,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,8,16/E:(2,3)(6,7)(8,9)/rA:25CCNCCCCONCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YXVYIOIEKOAGIT_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797797,CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1,YXVYIOIEKOAGIT,YXVYIOIEKOAGIT-UHFFFAOYSA-N,"InChI=1S/C19H22FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10,12H,5,11H2,1-4H3","""AuxInfo=1/0/N:1,12,13,15,2,21,24,20,25,6,4,11,14,22,5,19,7,10,17,23,18,3,9,8,16/E:(2,3)(6,7)(8,9)/rA:25CCNCCCCONCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s11;d10;s14;s14;s9s16;s5d17;s3;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  6.160,6.16,0.0,0.0,1.0,6.16,0.0
-YXXXAQTXNKNQOB_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3951081,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOCC2(C)C)c3)cn1,YXXXAQTXNKNQOB,YXXXAQTXNKNQOB-UHFFFAOYSA-N,"InChI=1S/C21H25N5O2/c1-21(2)13-28-7-6-26(21)11-14-4-5-16-17(15-10-23-25(3)12-15)9-19(20(22)27)24-18(16)8-14/h4-5,8-10,12H,6-7,11,13H2,1-3H3,(H2,22,27)","""AuxInfo=1/1/N:24,25,1,15,14,19,20,26,6,27,17,3,22,16,4,13,5,12,7,8,23,9,28,11,2,18,10,21/E:(1,2)/rA:28CNCCCCCCNONCCCCCCNCCOCCCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s18s22;s23;s23;s12d16;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-YYBDAEQAUAHLFC_on_O15399_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_O60391_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_Q05586_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_Q12879_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_Q13224_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYBDAEQAUAHLFC_on_Q14957_WT,Low,ChEMBL30,CHEMBL66626,CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1,YYBDAEQAUAHLFC,YYBDAEQAUAHLFC-UHFFFAOYSA-N,"InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,5,10,6,9,14,23,13,24,3,16,11,2,17,4,15,7,12,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24CCCCCCCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s12;s13;s14;s15;s16;d17;s18;d19;s20;s17d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751686,PMID:11514163,2001.0,PMID:11514163,2001,0,0,0,1,0,,=,  8.470,8.47,0.0,0.0,1.0,8.47,0.0
-YYFAXJAPJVUKDQ_on_Q14416_WT,Medium,ChEMBL30,CHEMBL107806,CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(=O)c2ccccc2)cc1,YYFAXJAPJVUKDQ,YYFAXJAPJVUKDQ-UHFFFAOYSA-N,"InChI=1S/C21H20N2O3S/c1-2-27(25,26)23(16-17-7-6-14-22-15-17)20-12-10-19(11-13-20)21(24)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3","""AuxInfo=1/0/N:1,2,23,22,24,12,13,21,25,16,26,15,27,11,9,7,8,20,17,14,18,10,6,19,4,5,3/E:(4,5)(8,9)(10,11)(12,13)(25,26)/CRV:27.6/rA:27CCSOONCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;s11;s8d12;s6;d14;s15;d16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17;s14d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717758,PMID:15149652,2004.0,PMID:15149652,2004,0,1,0,0,0,,=,  5.380,5.38,0.0,0.0,1.0,5.38,0.0
-YYGHRPTXNXCAAD_on_Q14416_WT,High,ChEMBL30,CHEMBL3337501,CC(C)CCn1ccc(N2CCc3c(cccc3)C2)c(C#N)c1=O,YYGHRPTXNXCAAD,YYGHRPTXNXCAAD-UHFFFAOYSA-N,"InChI=1S/C20H23N3O/c1-15(2)7-10-22-12-9-19(18(13-21)20(22)24)23-11-8-16-5-3-4-6-17(16)14-23/h3-6,9,12,15H,7-8,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,17,16,18,15,4,12,8,5,11,7,21,19,2,13,14,20,9,23,22,6,10,24/E:(1,2)/rA:24CCCCCNCCCNCCCCCCCCCCCNCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s10s14;d9;s20;t21;s6s20;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  6.060,6.06,0.0,0.0,1.0,6.06,0.0
-YYHTYOFNHFJZSY_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3950312,CC(C)c1c(S(=O)(=O)Cc2ccccc2Cl)sc(NC(=O)c2ccccn2)n1,YYHTYOFNHFJZSY,YYHTYOFNHFJZSY-UHFFFAOYSA-N,"InChI=1S/C19H18ClN3O3S2/c1-12(2)16-18(28(25,26)11-13-7-3-4-8-14(13)20)27-19(22-16)23-17(24)15-9-5-6-10-21-15/h3-10,12H,11H2,1-2H3,(H,22,23,24)","""AuxInfo=1/1/N:1,3,12,13,24,25,11,14,23,26,9,2,10,15,22,4,20,5,18,16,27,28,19,21,7,8,17,6/E:(1,2)(25,26)/CRV:28.6/rA:28CCCCCSOOCCCCCCCClSCNCOCCCCCNN/rB:s1;s2;s2;d4;s5;d6;d6;s6;s9;d10;s11;d12;s13;s10d14;s15;s5;s17;s18;s19;d20;s20;d22;s23;d24;s25;s22d26;s4d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,=,  5.710,5.71,0.0,0.0,1.0,5.71,0.0
-YYJKWRHOJBQQMG_on_Q05586_WT,Low,ChEMBL30,CHEMBL158737,COc1c(CN=C(N)C=Cc2ccccc2)cccc1,YYJKWRHOJBQQMG,YYJKWRHOJBQQMG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)","""AuxInfo=1/1/N:1,14,13,15,18,19,12,16,17,20,10,9,5,11,4,3,7,8,6,2/E:(3,4)(7,8)/rA:20COCCCNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s7;w?9;s10;d11;s12;d13;s14;s11d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747356;CHEMBL747357;CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,1;1;0,0,0,0;0;1,0,,=,  4.580;  4.540;  9.150,6.09,2.164,1.53,3.0,4.58,0.04
-YYJKWRHOJBQQMG_on_Q13224_WT,Medium,ChEMBL30,CHEMBL158737,COc1c(CN=C(N)C=Cc2ccccc2)cccc1,YYJKWRHOJBQQMG,YYJKWRHOJBQQMG-UHFFFAOYSA-N,"InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)","""AuxInfo=1/1/N:1,14,13,15,18,19,12,16,17,20,10,9,5,11,4,3,7,8,6,2/E:(3,4)(7,8)/rA:20COCCCNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;w?6;s7;s7;w?9;s10;d11;s12;d13;s14;s11d15;s4;d17;s18;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749675;CHEMBL749674,PMID:12639560,2003.0,PMID:12639561,2003,0,0,0;1,1;0,0,,=,  9.150;  9.000,9.075,0.075,0.075,2.0,9.075,0.075
-YYKRPCBJFTUNFZ_on_P41594_WT,High,ChEMBL30,CHEMBL1466899,O=[N+]([O-])c1cccc(-c2nc(-c3ncccc3)no2)c1,YYKRPCBJFTUNFZ,YYKRPCBJFTUNFZ-UHFFFAOYSA-N,InChI=1S/C13H8N4O3/c18-17(19)10-5-3-4-9(8-10)13-15-12(16-20-13)11-6-1-2-7-14-11/h1-8H,"""AuxInfo=1/0/N:16,15,6,7,5,17,14,20,8,4,12,11,9,13,10,18,2,1,3,19/E:(18,19)/CRV:17.5/rA:20ON+O-CCCCCCNCCNCCCCNOC/rB:d1;s2;s2;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s4d8;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2166999,PMID:23046966,2012.0,PMID:23046966,2012,1,0,0,0,0,,=,  6.630,6.63,0.0,0.0,1.0,6.63,0.0
-YYMCVDNIIFNDJK_on_P41594_WT,High,ChEMBL30,CHEMBL371811,Fc1cc(C=NN=Cc2cc(F)ccc2)ccc1,YYMCVDNIIFNDJK,YYMCVDNIIFNDJK-UHFFFAOYSA-N,InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H,"""AuxInfo=1/0/N:14,17,15,16,13,18,10,3,8,5,9,4,11,2,12,1,7,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18FCCCCNNCCCCFCCCCCC/rB:s1;d2;s3;s4;w?5;s6;w?7;s8;d9;s10;s11;d11;s13;s9d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868;CHEMBL2433925,PMID:15537338,2004.0,PMID:15537338;PMID:24050755,2004;2013,0,1,0,0,0,,=,  8.630;  5.580,7.105,1.525,1.525,2.0,7.105,1.525
-YYOYGSTYWVHCJR_on_P14867_WT,Low,ChEMBL30,CHEMBL311761,Oc1noc(C2CCNCC2)c1,YYOYGSTYWVHCJR,YYOYGSTYWVHCJR-UHFFFAOYSA-N,"InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNOCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-YYOYGSTYWVHCJR_on_P18507_WT,Low,ChEMBL30,CHEMBL311761,Oc1noc(C2CCNCC2)c1,YYOYGSTYWVHCJR,YYOYGSTYWVHCJR-UHFFFAOYSA-N,"InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNOCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-YYOYGSTYWVHCJR_on_P28472_WT,Low,ChEMBL30,CHEMBL311761,Oc1noc(C2CCNCC2)c1,YYOYGSTYWVHCJR,YYOYGSTYWVHCJR-UHFFFAOYSA-N,"InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)","""AuxInfo=1/1/N:7,11,8,10,12,6,5,2,9,3,1,4/E:(1,2)(3,4)/rA:12OCNOCCCCNCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s6s10;s2d5;/rC:;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL917169,PMID:17375905,2007.0,PMID:17375905,2007,0,0,0,1,0,,=,  4.960,4.96,0.0,0.0,1.0,4.96,0.0
-YYRFNNUNFMRYPC_on_O15399_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_O60391_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_Q05586_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_Q12879_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_Q13224_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYRFNNUNFMRYPC_on_Q14957_WT,Low,ChEMBL30,CHEMBL167128,Cc1cc(N2CCc3c(cccc3)C2)ncc1,YYRFNNUNFMRYPC,YYRFNNUNFMRYPC-UHFFFAOYSA-N,"InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3","""AuxInfo=1/0/N:1,12,11,13,10,17,7,16,6,3,14,2,8,9,4,15,5/rA:17CCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s5s9;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL751683,PMID:12617901,2003.0,PMID:12617901,2003,0,0,0,1,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-YYUKMPXTCMMQMY_on_O15399_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_O60391_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_Q05586_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_Q12879_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_Q13224_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYUKMPXTCMMQMY_on_Q14957_WT,Low,ChEMBL30,CHEMBL1192372,Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1,YYUKMPXTCMMQMY,YYUKMPXTCMMQMY-UHFFFAOYSA-N,"InChI=1S/C15H18N4/c1-10-5-3-4-6-13(10)18-15(17)19-14-8-7-12(16)9-11(14)2/h3-9H,16H2,1-2H3,(H3,17,18,19)","""AuxInfo=1/1/N:1,10,18,17,19,16,14,15,11,2,9,12,3,8,5,13,6,4,7/rA:19CCCNCNNCCCCCNCCCCCC/rB:s1;d2;s3;w?4;s5;s5;s7;d8;s9;s9;d11;s12;s12;s8d14;s3;d16;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763612,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  5.360,5.36,0.0,0.0,1.0,5.36,0.0
-YYVQNOWSPBGMRY_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3894572,Cc1cncc(Nc2c3ncccc3n[nH]2)c1,YYVQNOWSPBGMRY,YYVQNOWSPBGMRY-UHFFFAOYSA-N,"InChI=1S/C12H11N5/c1-8-5-9(7-13-6-8)15-12-11-10(16-17-12)3-2-4-14-11/h2-7H,1H3,(H2,15,16,17)","""AuxInfo=1/1/N:1,12,13,11,17,3,5,2,6,14,9,8,4,10,7,15,16/rA:17CCCNCCNCCNCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s9s13;d14;s8s15;s2d6;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  5.130,5.13,0.0,0.0,1.0,5.13,0.0
-YYVVEJSNAMCCET_on_P41594_WT,Low,ChEMBL30,CHEMBL1784071,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,YYVVEJSNAMCCET,YYVVEJSNAMCCET-UHFFFAOYSA-N,"InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)10-4-5-12(26-2)11(19)7-10/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,18,19,3,25,9,15,17,23,20,6,13,12,5,7,26,24,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCFCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s23;s17d23;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-YYVVEJSNAMCCET_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54585852;CHEMBL1784071,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O,YYVVEJSNAMCCET,YYVVEJSNAMCCET-UHFFFAOYSA-N,"InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)10-4-5-12(26-2)11(19)7-10/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)","""AuxInfo=1/1/N:1,22,2,18,19,3,25,9,15,17,23,20,6,13,12,5,7,26,24,4,10,8,14,16,27,21,11/rA:27CCCNCCCNCNSCCNCNCCCCOCCFCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s20;s23;s17d23;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  6.674;  6.670,6.672000000000001,0.002,0.002,2.0,6.672000000000001,0.002
-YYVZSQMPPRXPRD_on_P41594_WT,High,ChEMBL30,CHEMBL224315,CC1CCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)CC1,YYVZSQMPPRXPRD,YYVZSQMPPRXPRD-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-YYVZSQMPPRXPRD_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,11493897;CHEMBL224315,CC1CCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)CC1,YYVZSQMPPRXPRD,YYVZSQMPPRXPRD-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3","""AuxInfo=1/0/N:1,16,17,3,24,4,23,18,19,7,2,5,14,13,9,10,12,21,20,8,15,6,22,11/E:(2,3)(4,5)(6,7)/rA:24CCCCCNCNCCSCCCNCCCCNCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s11;s9d12;s13;s14;s15;s15;d14;s18;s12d19;s6s10;d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:282965;CHEMBL916419,PMID:16279797,2005.0,PubChemAID:282965;PMID:16279797,2010;2005,0;1,0,0,0,1;0,,=,  6.854;  6.850,6.852,0.002,0.002,2.0,6.852,0.002
-YYXPQAATUGJIAX_on_P41594_WT,High,ChEMBL30,CHEMBL3735684,CC(C)(C)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2,YYXPQAATUGJIAX,YYXPQAATUGJIAX-UHFFFAOYSA-N,"InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)21-23-24)17-20-16(22-25-17)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3","""AuxInfo=1/0/N:1,3,4,17,22,11,18,21,10,25,16,12,19,8,9,15,13,2,20,14,7,23,6,5,24/E:(1,2,3)(4,5)(7,8)/rA:25CCCCNNNCCCCCCNCCCCCFCCNOC/rB:s1;s2;s2;s2;s5;d6;s7;s5d8;s9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s19;s16d21;d15;s13s23;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3737385,PMID:26531152,2015.0,PMID:26531152,2015,0,1,0,0,0,,=,  8.300,8.3,0.0,0.0,1.0,8.3,0.0
-YYXXKEYUZUZFKC_on_Q05586_WT,Low,ChEMBL30,CHEMBL161859,COc1cccc(CN=C(N)C=Cc2ccccc2)c1,YYXXKEYUZUZFKC,YYXXKEYUZUZFKC-UHFFFAOYSA-N,"InChI=1S/C17H18N2O/c1-20-16-9-5-8-15(12-16)13-19-17(18)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,18,19)","""AuxInfo=1/1/N:1,17,16,18,5,15,19,6,4,13,12,20,8,14,7,3,10,11,9,2/E:(3,4)(6,7)/rA:20COCCCCCCNCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;w?9;s10;s10;w?12;s13;d14;s15;d16;s17;s14d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-YYXXKEYUZUZFKC_on_Q13224_WT,Low,ChEMBL30,CHEMBL161859,COc1cccc(CN=C(N)C=Cc2ccccc2)c1,YYXXKEYUZUZFKC,YYXXKEYUZUZFKC-UHFFFAOYSA-N,"InChI=1S/C17H18N2O/c1-20-16-9-5-8-15(12-16)13-19-17(18)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,18,19)","""AuxInfo=1/1/N:1,17,16,18,5,15,19,6,4,13,12,20,8,14,7,3,10,11,9,2/E:(3,4)(6,7)/rA:20COCCCCCCNCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;w?9;s10;s10;w?12;s13;d14;s15;d16;s17;s14d18;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-YZCAYPGFZGVXGK_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647556,CCn1cnc2c1nncc2-c1ccc(CO)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1,YZCAYPGFZGVXGK,YZCAYPGFZGVXGK-UHFFFAOYSA-N,"InChI=1S/C23H24N4O4S/c1-4-27-14-24-22-20(12-25-26-23(22)27)15-6-7-16(13-28)19(10-15)18-9-8-17(11-21(18)31-3)32(29,30)5-2/h6-12,14,28H,4-5,13H2,1-3H3","""AuxInfo=1/0/N:1,27,31,2,26,13,14,21,20,32,28,10,16,4,12,15,22,19,18,11,29,6,7,5,9,8,3,17,24,25,30,23/E:(29,30)/CRV:32.6/rA:32CCNCNCCNNCCCCCCCOCCCCCSOOCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s16;s15;s18;d19;s20;d21;s22;d23;d23;s23;s26;s22;s19d28;s29;s30;s12d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  5.760,5.76,0.0,0.0,1.0,5.76,0.0
-YZEGKECIXQTPKF_on_Q13255_WT,High,ChEMBL30,CHEMBL3330804,O=c1c2c(ncn1-c1cc(Cl)ccc1)c(-c1ccccc1)cs2,YZEGKECIXQTPKF,YZEGKECIXQTPKF-UHFFFAOYSA-N,InChI=1S/C18H11ClN2OS/c19-13-7-4-8-14(9-13)21-11-20-16-15(10-23-17(16)18(21)22)12-5-2-1-3-6-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,13,17,21,12,14,9,22,6,16,10,8,15,4,3,2,11,5,7,1,23/E:(2,3)(5,6)/rA:23OCCCNCNCCCClCCCCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;s10;d10;s12;s8d13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.430,6.43,0.0,0.0,1.0,6.43,0.0
-YZHONPYKEFGMKP_on_P41594_WT,High,ChEMBL30,CHEMBL2069384,Cc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3)n2)ccc1,YZHONPYKEFGMKP,YZHONPYKEFGMKP-UHFFFAOYSA-N,"InChI=1S/C19H15Cl2N3O2/c1-11-3-2-4-12(7-11)18-22-19(26-23-18)13-8-17(25)24(10-13)14-5-6-15(20)16(21)9-14/h2-7,9,13H,8,10H2,1H3","""AuxInfo=1/0/N:1,25,26,24,15,16,3,10,21,22,2,4,9,14,17,19,11,5,8,18,20,23,6,13,12,7/rA:26CCCCCNOCCCCONCCCCClCClCCNCCC/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s17;s17;s19;s14d19;s9s13;s5d8;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-YZHZQNRGXOPPNW_on_P41594_WT,Medium,ChEMBL30,CHEMBL3966309,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC12CC2,YZHZQNRGXOPPNW,YZHZQNRGXOPPNW-UHFFFAOYSA-N,"InChI=1S/C19H17N3O/c1-21-18(23)22(14-19(21)11-12-19)17-10-9-16(13-20-17)8-7-15-5-3-2-4-6-15/h2-6,9-10,13H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,8,7,22,23,18,20,12,9,6,3,21,19,2,5,4/E:(3,4)(5,6)(11,12)/rA:23CNCONCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-YZKJBYRDKXPMTG_on_P41594_WT,High,ChEMBL30,CHEMBL2346734,Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)cc3)c(C)n2)ccc1F,YZKJBYRDKXPMTG,YZKJBYRDKXPMTG-UHFFFAOYSA-N,"InChI=1S/C18H16F2N4O/c1-10-15(20)8-9-16(21-10)23-18(25)17-11(2)24(12(3)22-17)14-6-4-13(19)5-7-14/h4-9H,1-3H3,(H,21,23,25)","""AuxInfo=1/1/N:1,10,20,14,17,13,18,23,22,2,9,19,15,12,24,4,8,6,16,25,3,21,5,11,7/E:(4,5)(6,7)/rA:25CCNCNCOCCCNCCCCFCCCCNCCCF/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s13;d14;s15;s15;s12d17;s11;s19;s8d19;d4;s22;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953,PMID:23434029,2013.0,PMID:23434029,2013,1,0,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-YZLPHDZTJYNVMR_on_Q13255_WT,Low,ChEMBL30,CHEMBL572198,CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1,YZLPHDZTJYNVMR,YZLPHDZTJYNVMR-UHFFFAOYSA-N,"InChI=1S/C17H13FN2OS/c1-20(16(21)13-7-9-14(18)10-8-13)17-19-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,6,11,7,10,21,15,5,8,14,3,12,9,13,2,4,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22CNCOCCCCFCCCNCCCCCCCCS/rB:s1;s2;d3;s3;d5;s6;d7;s8;s8;s5d10;s2;d12;s13;s14;d15;s16;d17;s18;s15d19;d14;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1046437,PMID:19674894,2009.0,PMID:19674894,2009,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YZMQBHNRNAXMLR_on_P41594_WT,Low,ChEMBL30,CHEMBL457873,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccncc3)nn2)CC1,YZMQBHNRNAXMLR,YZMQBHNRNAXMLR-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-6-13(7-11-21)15-12-22(20-19-15)14-4-8-18-9-5-14/h4-6,8-9,12H,7,10-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,16,20,10,23,17,19,9,24,13,11,15,12,6,2,18,22,21,8,14,7,5/E:(1,2,3)(4,5)(8,9)/rA:24CCCCOCONCCCCCNCCCNCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032408,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-YZMQBHNRNAXMLR_on_Q13255_WT,High,ChEMBL30,CHEMBL457873,CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccncc3)nn2)CC1,YZMQBHNRNAXMLR,YZMQBHNRNAXMLR-UHFFFAOYSA-N,"InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-6-13(7-11-21)15-12-22(20-19-15)14-4-8-18-9-5-14/h4-6,8-9,12H,7,10-11H2,1-3H3","""AuxInfo=1/0/N:1,3,4,16,20,10,23,17,19,9,24,13,11,15,12,6,2,18,22,21,8,14,7,5/E:(1,2,3)(4,5)(8,9)/rA:24CCCCOCONCCCCCNCCCNCCNNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;w?10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s14;s12d21;s11;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1032406,PMID:18849168,2008.0,PMID:18849168,2008,1,0,0,0,0,,=,  6.660,6.66,0.0,0.0,1.0,6.66,0.0
-YZNYFSHLAHETDR_on_P41594_WT,Low,ChEMBL30,CHEMBL2408566,CC1CC(=O)c2c(C1)nc(Nc1c(Cl)cccc1)nc2,YZNYFSHLAHETDR,YZNYFSHLAHETDR-UHFFFAOYSA-N,"InChI=1S/C15H14ClN3O/c1-9-6-13-10(14(20)7-9)8-17-15(19-13)18-12-5-3-2-4-11(12)16/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,16,17,15,18,8,3,20,2,6,13,12,7,4,10,14,19,11,9,5/rA:20CCCCOCCCNCNCCClCCCCNC/rB:s1;s2;s3;d4;s4;d6;s2s7;s7;d9;s10;s11;d12;s13;s13;d15;s16;s12d17;s10;s6d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2410491,PMID:23856046,2013.0,PMID:23856046,2013,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-YZRXMMCBUVDBFF_on_P14867_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-YZRXMMCBUVDBFF_on_P18507_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.270;  8.210;  7.800;  7.550,8.207,0.657,0.379,4.0,8.005,0.33
-YZRXMMCBUVDBFF_on_P28472_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.210;  7.800;  7.550;  9.270,8.207,0.657,0.379,4.0,8.005,0.33
-YZRXMMCBUVDBFF_on_P31644_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.270,9.27,0.0,0.0,1.0,9.27,0.0
-YZRXMMCBUVDBFF_on_P34903_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-YZRXMMCBUVDBFF_on_P47869_WT,Low,ChEMBL30,CHEMBL178831,Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1,YZRXMMCBUVDBFF,YZRXMMCBUVDBFF-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2","""AuxInfo=1/0/N:28,29,17,16,18,27,30,23,25,22,26,15,12,24,21,13,3,2,8,9,4,7,10,1,14,5,6,19,20,11/E:(8,9)(10,11)/rA:30FCCCNNCCCCOCCNCCCCNNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;d10;s4s7s19;s9;s21;s22;s8s23;s24;s21s25;s3;d27;s28;s2d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-YZTZMXSXPRJVLX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3890277,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1,YZTZMXSXPRJVLX,YZTZMXSXPRJVLX-UHFFFAOYSA-N,"InChI=1S/C22H22F2N4O/c23-11-17-13-28(8-7-26-17)12-14-1-6-18-19(15-2-4-16(24)5-3-15)10-21(22(25)29)27-20(18)9-14/h1-6,9-10,17,26H,7-8,11-13H2,(H2,25,29)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,27,5,24,18,26,17,7,10,23,14,6,28,4,2,25,11,1,22,29,19,3/E:(2,3)(4,5)/rA:29NCOCCCCCCCFCCCCCCCNCCNCCFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s19s23;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-YZUUHDHERDASAW_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4112966,Cc1c(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)cnn1C,YZUUHDHERDASAW,YZUUHDHERDASAW-UHFFFAOYSA-N,"InChI=1S/C22H24F3N5O2/c1-12-9-30(11-20(32-12)22(23,24)25)10-14-4-5-15-16(17-8-27-29(3)13(17)2)7-19(21(26)31)28-18(15)6-14/h4-8,12,20H,9-11H2,1-3H3,(H2,26,31)","""AuxInfo=1/1/N:18,1,32,26,27,12,5,29,16,14,25,17,2,13,28,4,3,11,6,20,7,21,22,23,24,8,30,10,31,15,9,19/E:(23,24,25)/rA:32CCCCCCCNONCCCCNCCCOCCFFFCCCCCNNC/rB:s1;d2;s3;d4;s5;s6;s7;d7;d6;s10;d11;s12;s13;s14;s15;s16;s17;s17;s19;s20;s21;s21;s21;s15s20;d13;s26;s4s11d27;s3;d29;s2s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-YZVVGGTZPQAPIC_on_Q12879_WT,Medium,ChEMBL30,CHEMBL151174,Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1,YZVVGGTZPQAPIC,YZVVGGTZPQAPIC-UHFFFAOYSA-N,"InChI=1S/C20H25NOS/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2","""AuxInfo=1/0/N:17,16,18,15,19,3,23,4,22,11,20,10,21,8,7,13,14,12,2,5,9,1,6/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23OCCCCSCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL753012,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  4.460,4.46,0.0,0.0,1.0,4.46,0.0
-YZVVGGTZPQAPIC_on_Q13224_WT,Medium,ChEMBL30,CHEMBL151174,Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1,YZVVGGTZPQAPIC,YZVVGGTZPQAPIC-UHFFFAOYSA-N,"InChI=1S/C20H25NOS/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2","""AuxInfo=1/0/N:17,16,18,15,19,3,23,4,22,11,20,10,21,8,7,13,14,12,2,5,9,1,6/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23OCCCCSCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL753021,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,=,  7.000,7.0,0.0,0.0,1.0,7.0,0.0
-YZVVGGTZPQAPIC_on_Q14957_WT,Low,ChEMBL30,CHEMBL151174,Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1,YZVVGGTZPQAPIC,YZVVGGTZPQAPIC-UHFFFAOYSA-N,"InChI=1S/C20H25NOS/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2","""AuxInfo=1/0/N:17,16,18,15,19,3,23,4,22,11,20,10,21,8,7,13,14,12,2,5,9,1,6/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:23OCCCCSCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s12;s9s20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752246,PMID:10741546,2000.0,PMID:10741546,2000,1,0,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZAAIRIXWNJOFIN_on_O15399_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747269;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.320;  5.890,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_O60391_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749668;CHEMBL747269,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.890;  6.320,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747269;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.320;  5.890,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_Q05586_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749668;CHEMBL747269,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.890;  6.320,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_Q12879_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749668;CHEMBL747269,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.890;  6.320,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_Q13224_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL747269,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.890;  6.320,6.105,0.215,0.215,2.0,6.105,0.215
-ZAAIRIXWNJOFIN_on_Q14957_WT,Low,ChEMBL30,CHEMBL130247,CNc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZAAIRIXWNJOFIN,ZAAIRIXWNJOFIN-UHFFFAOYSA-N,"InChI=1S/C18H26N2/c1-19-14-7-6-13-11-17-15-5-3-4-8-18(15,16(13)12-14)9-10-20(17)2/h6-7,12,15,17,19H,3-5,8-11H2,1-2H3","""AuxInfo=1/0/N:1,20,13,14,12,7,8,15,17,18,9,4,6,3,11,5,10,16,2,19/rA:20CNCCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s6;s9;s10;s11;s12;s13;s14;s5s11s15;s16;s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL747269,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.890;  6.320,6.105,0.215,0.215,2.0,6.105,0.215
-ZACQJMKEQBFUDN_on_P14867_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL864002;CHEMBL829006,PMID:15743180,2005.0,PMID:16392789;PMID:15743180,2006;2005,0,0,0,1,0,,=,  7.510;  7.510,7.51,0.0,0.0,2.0,7.51,0.0
-ZACQJMKEQBFUDN_on_P18507_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL864002;CHEMBL830420;CHEMBL864003;CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL864005;CHEMBL864004,PMID:15743180,2005.0,PMID:16392789;PMID:15743180;PMID:16392789;PMID:15743180;PMID:15743180;PMID:15743180;PMID:16392789;PMID:16392789,2006;2005;2006;2005;2005;2005;2006;2006,0,0,0,1,0,,=,  7.510;  8.100;  7.790;  7.510;  8.680;  7.800;  8.680;  8.100,8.021,0.434,0.16399999999999998,8.0,7.95,0.3
-ZACQJMKEQBFUDN_on_P28472_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL864004;CHEMBL830421;CHEMBL864005;CHEMBL864003;CHEMBL829006;CHEMBL829005;CHEMBL830420;CHEMBL864002,PMID:15743180,2005.0,PMID:16392789;PMID:15743180;PMID:16392789;PMID:16392789;PMID:15743180;PMID:15743180;PMID:15743180;PMID:16392789,2006;2005;2006;2006;2005;2005;2005;2006,0,0,0,1,0,,=,  8.100;  8.680;  8.680;  7.790;  7.510;  7.800;  8.100;  7.510,8.021,0.434,0.16399999999999998,8.0,7.95,0.3
-ZACQJMKEQBFUDN_on_P31644_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL864005;CHEMBL830421,PMID:15743180,2005.0,PMID:16392789;PMID:15743180,2006;2005,0,0,0,1,0,,=,  8.680;  8.680,8.68,0.0,0.0,2.0,8.68,0.0
-ZACQJMKEQBFUDN_on_P34903_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL864004;CHEMBL830420,PMID:15743180,2005.0,PMID:16392789;PMID:15743180,2006;2005,0,0,0,1,0,,=,  8.100;  8.100,8.1,0.0,0.0,2.0,8.1,0.0
-ZACQJMKEQBFUDN_on_P47869_WT,Low,ChEMBL30,CHEMBL366468,Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZACQJMKEQBFUDN,ZACQJMKEQBFUDN-UHFFFAOYSA-N,"InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,26,23,12,5,21,22,11,20,8,4,18,19,29,9,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005;CHEMBL864003,PMID:15743180,2005.0,PMID:15743180;PMID:16392789,2005;2006,0,0,0,1,0,,=,  7.800;  7.790,7.795,0.005,0.005,2.0,7.795,0.005
-ZACRDHYLVQJELO_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647578,COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F,ZACRDHYLVQJELO,ZACRDHYLVQJELO-UHFFFAOYSA-N,"InChI=1S/C24H25FN4O3S/c1-14(2)29-13-26-23-20(12-27-28-24(23)29)16-6-9-21(25)19(10-16)18-8-7-17(11-22(18)32-5)33(30,31)15(3)4/h6-15H,1-5H3","""AuxInfo=1/0/N:28,29,10,11,1,30,12,13,31,16,4,19,25,27,9,17,5,14,15,18,32,3,23,22,33,24,20,21,26,7,8,2,6/E:(1,2)(3,4)(30,31)/CRV:33.6/rA:33COCCCSOOCCCCCCCCCCCNNCCNCNCCCCCCF/rB:s1;s2;d3;s4;s5;d6;d6;s6;s9;s9;d5;s12;s3d13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s23;d24;s22s25;s26;s27;s27;d17;s30;s15d31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-ZAFFVUHUTAMYCX_on_P14867_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-ZAFFVUHUTAMYCX_on_P18507_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.220;  7.240;  8.190;  7.430,7.52,0.395,0.228,4.0,7.335,0.105
-ZAFFVUHUTAMYCX_on_P28472_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829006;CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.190;  7.430;  7.220;  7.240,7.52,0.395,0.228,4.0,7.335,0.105
-ZAFFVUHUTAMYCX_on_P31644_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.190,8.19,0.0,0.0,1.0,8.19,0.0
-ZAFFVUHUTAMYCX_on_P34903_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-ZAFFVUHUTAMYCX_on_P47869_WT,Low,ChEMBL30,CHEMBL175929,Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAFFVUHUTAMYCX,ZAFFVUHUTAMYCX-UHFFFAOYSA-N,"InChI=1S/C20H20N8O/c1-27-24-15(21-26-27)11-29-20-17-13-9-7-12(8-10-13)16(17)19-23-22-18(28(19)25-20)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,26,23,12,5,21,22,11,20,8,4,18,19,29,9,3,2,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CNNNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-ZAFIKJPXKKFWNF_on_P41594_WT,High,ChEMBL30,CHEMBL388827,CC1CCCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)C1,ZAFIKJPXKKFWNF,ZAFIKJPXKKFWNF-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-5-4-6-12(9-11)22-10-20-15-14-13(21(2)3)7-8-19-17(14)24-16(15)18(22)23/h7-8,10-12H,4-6,9H2,1-3H3","""AuxInfo=1/0/N:1,17,18,4,3,5,19,20,24,8,2,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)/rA:24CCCCCCNCNCCSCCCNCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL916420,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-ZAFIKJPXKKFWNF_on_Q13255_WT,High,ChEMBL30,CHEMBL388827,CC1CCCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)C1,ZAFIKJPXKKFWNF,ZAFIKJPXKKFWNF-UHFFFAOYSA-N,"InChI=1S/C18H22N4OS/c1-11-5-4-6-12(9-11)22-10-20-15-14-13(21(2)3)7-8-19-17(14)24-16(15)18(22)23/h7-8,10-12H,4-6,9H2,1-3H3","""AuxInfo=1/0/N:1,17,18,4,3,5,19,20,24,8,2,6,15,14,10,11,13,22,21,9,16,7,23,12/E:(2,3)/rA:24CCCCCCNCNCCSCCCNCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s16;d15;s19;s13d20;s7s11;d22;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL916419,PMID:16279797,2005.0,PMID:16279797,2005,1,0,0,0,0,,=,  6.320,6.32,0.0,0.0,1.0,6.32,0.0
-ZAFYATHCZYHLPB_on_P14867_WT,High,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4415148,DOI:10.1016/S0960-894X(97)00404-6,1997.0,PMID:31404862,2019,0,0,0,1,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ZAFYATHCZYHLPB_on_P18505_WT,Low,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL861815,PMID:16610795,2006.0,PMID:16610795,2006,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZAFYATHCZYHLPB_on_P18507_WT,Low,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL942241;CHEMBL681841;CHEMBL861815;CHEMBL680432;CHEMBL678631;CHEMBL677034;CHEMBL682709;CHEMBL1273616;CHEMBL1273615;CHEMBL861816;CHEMBL1273617;CHEMBL829005;CHEMBL824292;CHEMBL919088;CHEMBL919089;CHEMBL830420;CHEMBL682251;CHEMBL676826;CHEMBL681248;CHEMBL678329;CHEMBL822162;CHEMBL823761;CHEMBL824294;CHEMBL829006;CHEMBL941237;CHEMBL678741;CHEMBL919087;CHEMBL3873362,PMID:9301675,1997.0,PMID:18973287;PMID:15027873;PMID:16610795;PMID:15214791;DOI:10.1016/S0960-894X(97)00404-6;PMID:15214791;PMID:15214791;PMID:20888240;PMID:20888240;PMID:16610795;PMID:20888240;PMID:15743180;PMID:9301675;PMID:16279764;PMID:16279764;PMID:15743180;PMID:10633039;PMID:15027873;PMID:10633039;PMID:10633039;PMID:9651158;PMID:9651158;PMID:9651158;PMID:15743180;PMID:18973287;PMID:15027873;PMID:16279764;PMID:27598234,2008;2004;2006;2004;1997;2004;2004;2010;2010;2006;2010;2005;1997;2005;2005;2005;2000;2004;2000;2000;1998;1998;1998;2005;2008;2004;2005;2016,0;0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0,0;0;0;0;0;0;0;0;0;0;0;0;1;0;0;0;0;0;0;0;0;0;0;0;0;0;0;1,0,1;1;1;1;0;1;1;1;1;1;1;1;0;1;1;1;1;1;1;1;1;1;1;1;1;1;1;0,0,,=,  6.390;  6.800;  7.280;  6.220;  7.330;  7.280;  6.590;  6.810;  7.570;  5.730;  6.420;  6.990;  6.750;  6.800;  6.420;  6.610;  6.420;  7.570;  6.810;  7.570;  7.570;  6.420;  6.810;  7.570;  6.010;  6.420;  7.570;  6.620,6.834,0.515,0.099,28.0,6.8,0.38
-ZAFYATHCZYHLPB_on_P28472_WT,Low,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL919088;CHEMBL830420;CHEMBL676826;CHEMBL678329;CHEMBL823761;CHEMBL678741;CHEMBL682709;CHEMBL677034;CHEMBL1273615;CHEMBL1273617;CHEMBL1273616;CHEMBL680432;CHEMBL681248;CHEMBL682251;CHEMBL824294;CHEMBL829006;CHEMBL681841;CHEMBL822162;CHEMBL919087;CHEMBL919089,PMID:9651158,1998.0,PMID:15743180;PMID:16279764;PMID:15743180;PMID:15027873;PMID:10633039;PMID:9651158;PMID:15027873;PMID:15214791;PMID:15214791;PMID:20888240;PMID:20888240;PMID:20888240;PMID:15214791;PMID:10633039;PMID:10633039;PMID:9651158;PMID:15743180;PMID:15027873;PMID:9651158;PMID:16279764;PMID:16279764,2005;2005;2005;2004;2000;1998;2004;2004;2004;2010;2010;2010;2004;2000;2000;1998;2005;2004;1998;2005;2005,0,0,0,1,0,,=,  6.990;  6.800;  6.610;  7.570;  7.570;  6.420;  6.420;  6.590;  7.280;  7.570;  6.420;  6.810;  6.220;  6.810;  6.420;  6.810;  7.570;  6.800;  7.570;  7.570;  6.420,6.916,0.47200000000000003,0.106,21.0,6.81,0.39
-ZAFYATHCZYHLPB_on_P34903_WT,High,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4415149,PMID:9651158,1998.0,PMID:31404862,2019,0,0,0,1,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZAFYATHCZYHLPB_on_P47869_WT,Medium,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678889,PMID:9301675,1997.0,PMID:12408715,2002,0,1,0,0,0,,=,  6.130,6.13,0.0,0.0,1.0,6.13,0.0
-ZAFYATHCZYHLPB_on_P47870_WT,Low,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3873362;CHEMBL861816;CHEMBL678631;CHEMBL824292;CHEMBL942241;CHEMBL941237,PMID:9301675,1997.0,PMID:27598234;PMID:16610795;DOI:10.1016/S0960-894X(97)00404-6;PMID:9301675;PMID:18973287;PMID:18973287,2016;2006;1997;1997;2008;2008,0;0;1;0;0;0,1;0;0;1;0;0,0,0;1;0;0;1;1,0,,=,  6.620;  5.730;  7.330;  6.750;  6.390;  6.010,6.472,0.517,0.231,6.0,6.505,0.37
-ZAFYATHCZYHLPB_on_P48169_WT,Low,ChEMBL30,CHEMBL911,Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1,ZAFYATHCZYHLPB,ZAFYATHCZYHLPB-UHFFFAOYSA-N,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3","""AuxInfo=1/0/N:1,17,12,13,3,23,18,4,22,19,8,15,2,16,5,7,20,9,6,21,11,14,10/E:(3,4)(5,6)(8,9)/rA:23CCCCCCCCCONCCNCCCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s9;s11;s11;s7;s14;d15;s16;s16;d18;s14s19;s6d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL942243,PMID:18973287,2008.0,PMID:18973287,2008,0,0,0,1,0,,<,  4.824,4.824,0.0,0.0,1.0,4.824,0.0
-ZAHRLTQFDAVZMQ_on_Q14416_WT,High,ChEMBL30,CHEMBL2206439,COc1c(C2CCN(c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)CC2)cc(F)cc1,ZAHRLTQFDAVZMQ,ZAHRLTQFDAVZMQ-UHFFFAOYSA-N,"InChI=1S/C20H19ClF4N4O/c1-30-16-3-2-13(22)10-14(16)12-4-7-28(8-5-12)15-6-9-29-17(11-20(23,24)25)26-27-19(29)18(15)21/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3","""AuxInfo=1/0/N:1,29,30,6,25,23,7,24,22,26,16,5,27,4,9,3,15,10,12,17,11,28,18,19,20,14,13,8,21,2/E:(4,5)(7,8)(23,24,25)/rA:30COCCCCCNCCClCNNCCCFFFNCCCCCCFCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;d14;s15;s16;s17;s17;s17;s12s15;s21;s9d22;s8;s5s24;s4;d26;s27;s27;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2215923,PMID:22992024,2012.0,PMID:22992024,2012,0,1,0,0,0,,=,  7.980,7.98,0.0,0.0,1.0,7.98,0.0
-ZAHVKMLYDCILGQ_on_P41594_WT,High,ChEMBL30,CHEMBL3640012,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)n1,ZAHVKMLYDCILGQ,ZAHVKMLYDCILGQ-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-24-7-6-17(23-24)18-13-20-15-3-2-4-19(25-9-11-28-12-10-25)16(15)5-8-26(20)21(27)14-22-18/h2-4,6-7,13H,5,8-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,4,3,12,21,25,22,24,27,8,15,14,5,6,19,26,9,7,28,2,20,11,10,23/E:(9,10)(11,12)/rA:28CNCCCCNCCONCCCCCCCCNCCOCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-ZAHVKMLYDCILGQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3640012,Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)n1,ZAHVKMLYDCILGQ,ZAHVKMLYDCILGQ-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-24-7-6-17(23-24)18-13-20-15-3-2-4-19(25-9-11-28-12-10-25)16(15)5-8-26(20)21(27)14-22-18/h2-4,6-7,13H,5,8-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,13,4,3,12,21,25,22,24,27,8,15,14,5,6,19,26,9,7,28,2,20,11,10,23/E:(9,10)(11,12)/rA:28CNCCCCNCCONCCCCCCCCNCCOCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZAITZYGVAGMXMV_on_Q05586_WT,Low,ChEMBL30,CHEMBL2009741,COc1c(CNCCCCCNCCCCCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1,ZAITZYGVAGMXMV,ZAITZYGVAGMXMV-UHFFFAOYSA-N,"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-17-27-37-25-15-7-5-3-4-6-8-16-26-38-28-18-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3","""AuxInfo=1/0/N:1,34,17,18,16,19,15,20,9,26,40,37,41,36,14,21,10,25,8,27,39,38,42,35,13,22,11,24,7,28,5,30,4,31,3,32,12,23,6,29,2,33/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42COCCCNCCCCCNCCCCCCCCCCNCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;d31;s32;s33;s32;d35;s36;s31d37;s4;d39;s40;s3d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-ZAITZYGVAGMXMV_on_Q12879_WT,Low,ChEMBL30,CHEMBL2009741,COc1c(CNCCCCCNCCCCCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1,ZAITZYGVAGMXMV,ZAITZYGVAGMXMV-UHFFFAOYSA-N,"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-17-27-37-25-15-7-5-3-4-6-8-16-26-38-28-18-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3","""AuxInfo=1/0/N:1,34,17,18,16,19,15,20,9,26,40,37,41,36,14,21,10,25,8,27,39,38,42,35,13,22,11,24,7,28,5,30,4,31,3,32,12,23,6,29,2,33/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)/rA:42COCCCNCCCCCNCCCCCCCCCCNCCCCCNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;d31;s32;s33;s32;d35;s36;s31d37;s4;d39;s40;s3d41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2399396,PMID:23692871,2013.0,PMID:23692871,2013,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-ZAJNXWBAJTVQLV_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2346717;71580231,Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccncc1,ZAJNXWBAJTVQLV,ZAJNXWBAJTVQLV-UHFFFAOYSA-N,"InChI=1S/C17H15FN4O/c1-11-15(17(23)20-14-7-9-19-10-8-14)21-22(2)16(11)12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20,23)","""AuxInfo=1/1/N:1,12,5,10,6,9,19,23,20,22,2,4,7,18,14,3,15,8,21,17,13,11,16/E:(3,4)(5,6)(7,8)(9,10)/rA:23CCCCCCCFCCNCNCCONCCCNCC/rB:s1;d2;s3;d4;s5;d6;s7;s7;s4d9;s3;s11;s11;s2d13;s14;d15;s15;s17;d18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953;PubChemAID:738966,PMID:23434029,2013.0,PMID:23434029;PubChemAID:738966,2013,1;0,0,0,0,0;1,,=,  6.520;  6.522,6.521,0.001,0.001,2.0,6.521,0.001
-ZAKVPALBELHKFH_on_P14867_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.070,7.07,0.0,0.0,1.0,7.07,0.0
-ZAKVPALBELHKFH_on_P18507_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830421;CHEMBL829006;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.050;  7.070;  7.820;  8.110,8.012,0.7090000000000001,0.409,4.0,7.965,0.52
-ZAKVPALBELHKFH_on_P28472_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829005;CHEMBL830421;CHEMBL830420;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.820;  9.050;  8.110;  7.070,8.012,0.7090000000000001,0.409,4.0,7.965,0.52
-ZAKVPALBELHKFH_on_P31644_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-ZAKVPALBELHKFH_on_P34903_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.110,8.11,0.0,0.0,1.0,8.11,0.0
-ZAKVPALBELHKFH_on_P47869_WT,Low,ChEMBL30,CHEMBL361015,Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZAKVPALBELHKFH,ZAKVPALBELHKFH-UHFFFAOYSA-N,"InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)","""AuxInfo=1/1/N:1,15,14,16,13,17,25,27,24,28,3,6,2,26,23,12,5,21,22,11,20,8,4,29,18,19,9,10,7/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCNCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-ZAMGJXDALMAKDP_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1921956;46853778,O=S1(=O)c2c(cccc2)S(=O)(=O)N1c1ccc(NC2(c3ncccc3)CC2)cc1,ZAMGJXDALMAKDP,ZAMGJXDALMAKDP-UHFFFAOYSA-N,"InChI=1S/C20H17N3O4S2/c24-28(25)17-5-1-2-6-18(17)29(26,27)23(28)16-10-8-15(9-11-16)22-20(12-13-20)19-7-3-4-14-21-19/h1-11,14,22H,12-13H2","""AuxInfo=1/0/N:7,8,24,23,6,9,25,16,28,15,29,26,27,22,17,14,5,4,20,19,21,18,13,11,12,1,3,10,2/E:(1,2)(5,6)(8,9)(10,11)(12,13)(17,18)(24,25,26,27)(28,29)/CRV:28.6,29.6/rA:29OSOCCCCCCSOONCCCCNCCNCCCCCCCC/rB:d1;d2;s2;d4;s5;d6;s7;s4d8;s5;d10;d10;s2s10;s13;d14;s15;d16;s17;s18;s19;d20;s21;d22;s23;s20d24;s19;s19s26;s17;s14d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1924926;PubChemAID:631408,PMID:21966889,2011.0,PMID:21966889;PubChemAID:631408,2011;2012,0,1;0,0,0,0;1,,=,  5.190;  5.194,5.192,0.002,0.002,2.0,5.192,0.002
-ZANUFYRNBVMFCV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3986471,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)CC2)c3)cn1,ZANUFYRNBVMFCV,ZANUFYRNBVMFCV-UHFFFAOYSA-N,"InChI=1S/C20H22FN5O/c1-25-12-14(10-23-25)17-9-19(20(22)27)24-18-8-13(2-3-16(17)18)11-26-6-4-15(21)5-7-26/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,22,27)","""AuxInfo=1/1/N:1,15,14,20,23,19,24,25,6,26,17,3,16,4,21,13,5,12,7,8,22,9,27,11,2,18,10/E:(4,5)(6,7)/rA:27CNCCCCCCNONCCCCCCNCCCFCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s21;s18s23;s12d16;s4;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-ZARNJMQSBTYULB_on_Q14833_WT,High,ChEMBL30,CHEMBL4247943,Cn1nc(C2CC2)c2c1cc(Nc1c3nccnc3n[nH]1)cc2,ZARNJMQSBTYULB,ZARNJMQSBTYULB-UHFFFAOYSA-N,"InChI=1S/C16H15N7/c1-23-12-8-10(4-5-11(12)13(22-23)9-2-3-9)19-16-14-15(20-21-16)18-7-6-17-14/h4-9H,2-3H2,1H3,(H2,18,19,20,21)","""AuxInfo=1/1/N:1,6,7,22,23,16,17,10,5,11,8,9,4,14,19,13,15,18,12,20,21,3,2/E:(2,3)/rA:23CNNCCCCCCCCNCCNCCNCNNCC/rB:s1;s2;d3;s4;s5;s5s6;s4;s2d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s11;s8d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4233470,PMID:29958762,2018.0,PMID:29958762,2018,0,1,0,0,0,,=,  7.700,7.7,0.0,0.0,1.0,7.7,0.0
-ZASBBKUNPZHFEQ_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647548,CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(N)(=O)=O)cc2)c1,ZASBBKUNPZHFEQ,ZASBBKUNPZHFEQ-UHFFFAOYSA-N,"InChI=1S/C20H18FN5O2S/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-5-8-18(21)16(9-14)13-3-6-15(7-4-13)29(22,27)28/h3-12H,1-2H3,(H2,22,27,28)","""AuxInfo=1/1/N:1,3,20,28,14,21,27,15,29,11,5,2,19,13,22,18,12,16,7,8,17,24,6,10,9,4,25,26,23/E:(1,2)(3,4)(6,7)(27,28)/CRV:29.6/rA:29CCCNCNCCNNCCCCCCFCCCCCSNOOCCC/rB:s1;s2;s2;s4;d5;s6;s4d7;s8;d9;s10;s7d11;s12;d13;s14;d15;s16;s16;s18;d19;s20;d21;s22;s23;d23;d23;s22;s19d27;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-ZASNKCQMORAXHL_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223313;49865398,O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1cscc1,ZASNKCQMORAXHL,ZASNKCQMORAXHL-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3S2/c18-15-3-1-2-4-16(15)20-25(22,23)14-7-5-13(6-8-14)19-17(21)12-9-10-24-11-12/h1-11,20H,(H,19,21)","""AuxInfo=1/1/N:16,17,15,18,5,20,6,19,25,24,22,21,4,7,13,12,2,14,3,11,1,9,10,23,8/E:(5,6)(7,8)(22,23)/CRV:25.6/rA:25OCNCCCCSOONCCClCCCCCCCCSCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;s13;d15;s16;s12d17;s7;s4d19;s2;d21;s22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  6.570;  6.570,6.57,0.0,0.0,2.0,6.57,0.0
-ZAUMCWHDNZJVKX_on_Q05586_WT,Low,ChEMBL30,CHEMBL159894,N=C(C=Cc1cc(Cl)ccc1)NCc1ccccc1,ZAUMCWHDNZJVKX,ZAUMCWHDNZJVKX-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-8-4-7-13(11-15)9-10-16(18)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,10,15,19,11,9,4,3,6,13,5,14,7,2,8,1,12/E:(2,3)(5,6)/rA:19NCCCCCCClCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s7;d7;s9;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZAUMCWHDNZJVKX_on_Q13224_WT,Low,ChEMBL30,CHEMBL159894,N=C(C=Cc1cc(Cl)ccc1)NCc1ccccc1,ZAUMCWHDNZJVKX,ZAUMCWHDNZJVKX-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-8-4-7-13(11-15)9-10-16(18)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,10,15,19,11,9,4,3,6,13,5,14,7,2,8,1,12/E:(2,3)(5,6)/rA:19NCCCCCCClCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s7;d7;s9;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZAYUCIMDULREJZ_on_P14867_WT,Low,ChEMBL30,CHEMBL446673,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CC2)cc1,ZAYUCIMDULREJZ,ZAYUCIMDULREJZ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,23H,1-4,9-10H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,21,22,4,15,18,20,7,3,6,12,2,5,13,14,1,19/E:(5,6)(7,8)(9,10)/rA:24OCCCNCCCCCCCNNCCCCOCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.950,8.95,0.0,0.0,1.0,8.95,0.0
-ZAYUCIMDULREJZ_on_P18507_WT,Low,ChEMBL30,CHEMBL446673,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CC2)cc1,ZAYUCIMDULREJZ,ZAYUCIMDULREJZ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,23H,1-4,9-10H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,21,22,4,15,18,20,7,3,6,12,2,5,13,14,1,19/E:(5,6)(7,8)(9,10)/rA:24OCCCNCCCCCCCNNCCCCOCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL821804;CHEMBL680327,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.950;  8.660,8.805,0.145,0.145,2.0,8.805,0.145
-ZAYUCIMDULREJZ_on_P28472_WT,Low,ChEMBL30,CHEMBL446673,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CC2)cc1,ZAYUCIMDULREJZ,ZAYUCIMDULREJZ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,23H,1-4,9-10H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,21,22,4,15,18,20,7,3,6,12,2,5,13,14,1,19/E:(5,6)(7,8)(9,10)/rA:24OCCCNCCCCCCCNNCCCCOCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680327;CHEMBL821804,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.660;  8.950,8.805,0.145,0.145,2.0,8.805,0.145
-ZAYUCIMDULREJZ_on_P34903_WT,Low,ChEMBL30,CHEMBL446673,Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CC2)cc1,ZAYUCIMDULREJZ,ZAYUCIMDULREJZ-UHFFFAOYSA-N,"InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,23H,1-4,9-10H2","""AuxInfo=1/0/N:9,10,8,11,16,24,17,23,21,22,4,15,18,20,7,3,6,12,2,5,13,14,1,19/E:(5,6)(7,8)(9,10)/rA:24OCCCNCCCCCCCNNCCCCOCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s8;s9;s6s10;s3s7;d12;s2s13;s14;d15;s16;d17;s18;s19;s20;s20s21;s18;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680327,PMID:15177449,2004.0,PMID:15177449,2004,0,0,0,1,0,,=,  8.660,8.66,0.0,0.0,1.0,8.66,0.0
-ZAZKOYPCZNZCED_on_P41594_WT,High,ChEMBL30,CHEMBL3644431,Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1,ZAZKOYPCZNZCED,ZAZKOYPCZNZCED-UHFFFAOYSA-N,"InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3","""AuxInfo=1/0/N:1,8,7,9,3,25,26,4,12,13,28,31,17,27,21,2,24,11,6,10,5,23,29,19,15,30,18,22,20,14,16/E:(6,7)/rA:31CCCCCCCCCCCCCNCOCNCNCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.670,6.67,0.0,0.0,1.0,6.67,0.0
-ZAZKOYPCZNZCED_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644431,Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1,ZAZKOYPCZNZCED,ZAZKOYPCZNZCED-UHFFFAOYSA-N,"InChI=1S/C25H23N5O/c1-16-5-8-21(26-12-16)19-3-2-4-20-18(19)9-10-30-23(20)11-24(27-13-25(30)31)29-14-22(28-15-29)17-6-7-17/h2-5,8,11-12,14-15,17H,6-7,9-10,13H2,1H3","""AuxInfo=1/0/N:1,8,7,9,3,25,26,4,12,13,28,31,17,27,21,2,24,11,6,10,5,23,29,19,15,30,18,22,20,14,16/E:(6,7)/rA:31CCCCCCCCCCCCCNCOCNCNCNCCCCCCCNC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s5;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZBBCOPQWFRZNNR_on_Q14416_WT,High,ChEMBL30,CHEMBL3616855;CHEMBL3616855;CHEMBL3616848;CHEMBL3616848;CHEMBL3616848;CHEMBL3616855,Cc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,ZBBCOPQWFRZNNR,ZBBCOPQWFRZNNR-UHFFFAOYSA-N,"InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)","""AuxInfo=1/1/N:1,8,2,7,19,15,14,16,11,5,9,10,20,3,4,17,18,12,13,6/E:(16,17)(18,19)/rA:20CCNNCSCCCNCOOCCCOOCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s15;d16;s16;s7s14s15;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3619269;CHEMBL3619407;CHEMBL3619269;CHEMBL3619407;CHEMBL3619271;CHEMBL3619271,PMID:26313429,2015.0,PMID:26313429,2015,0,0;1;0;1;1;1,0,1;0;1;0;0;0,0,,=,  6.770;  6.840;  6.920;  7.400;  7.980;  7.350,7.21,0.42100000000000004,0.188,6.0,7.135,0.28
-ZBBCOPQWFRZNNR_on_Q14832_WT,High,ChEMBL30,CHEMBL3616855;CHEMBL3616848;CHEMBL3616848;CHEMBL3616848;CHEMBL3616855;CHEMBL3616855,Cc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1,ZBBCOPQWFRZNNR,ZBBCOPQWFRZNNR-UHFFFAOYSA-N,"InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)","""AuxInfo=1/1/N:1,8,2,7,19,15,14,16,11,5,9,10,20,3,4,17,18,12,13,6/E:(16,17)(18,19)/rA:20CCNNCSCCCNCOOCCCOOCN/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;s9;d11;s11;s9;s14;s15;d16;s16;s7s14s15;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3619410;CHEMBL3619410;CHEMBL3619414;CHEMBL3619270;CHEMBL3619416;CHEMBL3619270,PMID:26313429,2015.0,PMID:26313429,2015,0;0;0;0;1;0,1;1;1;0;0;0,0,0;0;0;1;0;1,0,,=,  7.010;  6.990;  6.980;  7.210;  5.450;  7.100,6.79,0.605,0.27,6.0,7.0,0.06
-ZBDGSGHUORCIBV_on_P14867_WT,Low,ChEMBL30,CHEMBL4218339,CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S,ZBDGSGHUORCIBV,ZBDGSGHUORCIBV-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,10,9,11,8,12,16,15,19,2,7,17,13,14,4,6,21,18,20,5,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCClCNCS/rB:s1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s17;s13d17;s14;s4w?20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4182037,PMID:29146472,2017.0,PMID:29146472,2017,0,1,0,0,0,,<,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZBDGSGHUORCIBV_on_P31644_WT,Low,ChEMBL30,CHEMBL4218339,CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S,ZBDGSGHUORCIBV,ZBDGSGHUORCIBV-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,10,9,11,8,12,16,15,19,2,7,17,13,14,4,6,21,18,20,5,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCClCNCS/rB:s1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s17;s13d17;s14;s4w?20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4182043,PMID:29146472,2017.0,PMID:29146472,2017,0,1,0,0,0,,<,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZBDGSGHUORCIBV_on_P34903_WT,Low,ChEMBL30,CHEMBL4218339,CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S,ZBDGSGHUORCIBV,ZBDGSGHUORCIBV-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,10,9,11,8,12,16,15,19,2,7,17,13,14,4,6,21,18,20,5,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCClCNCS/rB:s1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s17;s13d17;s14;s4w?20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4182041,PMID:29146472,2017.0,PMID:29146472,2017,0,1,0,0,0,,<,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZBDGSGHUORCIBV_on_P47869_WT,Low,ChEMBL30,CHEMBL4218339,CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S,ZBDGSGHUORCIBV,ZBDGSGHUORCIBV-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,10,9,11,8,12,16,15,19,2,7,17,13,14,4,6,21,18,20,5,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCClCNCS/rB:s1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s17;s13d17;s14;s4w?20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL4182039,PMID:29146472,2017.0,PMID:29146472,2017,0,1,0,0,0,,<,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZBDGSGHUORCIBV_on_P47870_WT,Low,ChEMBL30,CHEMBL4218339,CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S,ZBDGSGHUORCIBV,ZBDGSGHUORCIBV-UHFFFAOYSA-N,"InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,3,10,9,11,8,12,16,15,19,2,7,17,13,14,4,6,21,18,20,5,22/E:(1,2)(4,5)(6,7)/rA:22CCCCNCCCCCCCCCCCCClCNCS/rB:s1;s2;s2;s4;w?5;s6;d7;s8;d9;s10;s7d11;s6;d13;s14;d15;s16;s17;s13d17;s14;s4w?20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4182037,PMID:29146472,2017.0,PMID:29146472,2017,0,1,0,0,0,,<,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZBEDGMFNPBHLLX_on_P41594_WT,High,ChEMBL30,CHEMBL2151639;CHEMBL2151638,O=C(C1CC2CCC1C2)N1CC(c2nc(-c3cc(F)ccc3)no2)C1,ZBEDGMFNPBHLLX,ZBEDGMFNPBHLLX-UHFFFAOYSA-N,"InChI=1S/C19H20FN3O2/c20-15-3-1-2-13(8-15)17-21-18(25-22-17)14-9-23(10-14)19(24)16-7-11-4-5-12(16)6-11/h1-3,8,11-12,14,16H,4-7,9-10H2","""AuxInfo=1/0/N:21,22,20,6,7,9,4,17,11,25,5,8,16,12,18,3,15,13,2,19,14,23,10,1,24/E:(9,10)/rA:25OCCCCCCCCNCCCNCCCCFCCCNOC/rB:d1;s2;s3;s4;s5;s6;s3s7;s5s8;s2;s10;s11;s12;d13;s14;s15;d16;s17;s18;d18;s20;s16d21;d15;s13s23;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  7.000;  7.140,7.07,0.07,0.07,2.0,7.07,0.07
-ZBKCKCQRZKJQCV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3908422,COCC1CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1,ZBKCKCQRZKJQCV,ZBKCKCQRZKJQCV-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c1-23-14-17-11-12-21(19(22)24-17)18-10-9-16(13-20-18)8-7-15-5-3-2-4-6-15/h2-6,9-10,13,17H,11-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,10,9,5,6,20,3,14,11,4,8,22,21,7,23,2,24/E:(3,4)(5,6)/rA:24COCCCCNCCCCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s7;d22;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.170,7.17,0.0,0.0,1.0,7.17,0.0
-ZBNUMKCYUFSJAQ_on_P41594_WT,High,ChEMBL30,CHEMBL3702377,Cn1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)cn1,ZBNUMKCYUFSJAQ,ZBNUMKCYUFSJAQ-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-24-14-15(12-23-24)18-11-20-16-3-2-4-19(25-7-9-28-10-8-25)17(16)5-6-26(20)21(27)13-22-18/h2-4,11-12,14H,5-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,20,24,21,23,26,27,7,3,4,14,13,5,18,25,8,6,28,2,19,10,9,22/E:(7,8)(9,10)/rA:28CNCCCNCCONCCCCCCCCNCCOCCCCCN/rB:s1;s2;d3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s20;s21;s22;s19s23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-ZBNUMKCYUFSJAQ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702377,Cn1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)cn1,ZBNUMKCYUFSJAQ,ZBNUMKCYUFSJAQ-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-24-14-15(12-23-24)18-11-20-16-3-2-4-19(25-7-9-28-10-8-25)17(16)5-6-26(20)21(27)13-22-18/h2-4,11-12,14H,5-10,13H2,1H3","""AuxInfo=1/0/N:1,16,15,17,12,11,20,24,21,23,26,27,7,3,4,14,13,5,18,25,8,6,28,2,19,10,9,22/E:(7,8)(9,10)/rA:28CNCCCNCCONCCCCCCCCNCCOCCCCCN/rB:s1;s2;d3;s4;w?5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;s19;s20;s21;s22;s19s23;s10s14;s5w?25;s4;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZBOOGSGVWAYDMC_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023635,c1ccc(-n2cc(-c3ccncc3)cn2)cc1,ZBOOGSGVWAYDMC,ZBOOGSGVWAYDMC-UHFFFAOYSA-N,InChI=1S/C14H11N3/c1-2-4-14(5-3-1)17-11-13(10-16-17)12-6-8-15-9-7-12/h1-11H,"""AuxInfo=1/0/N:1,2,17,3,16,9,13,10,12,14,6,8,7,4,11,15,5/E:(2,3)(4,5)(6,7)(8,9)/rA:17CCCCNCCCCCNCCCNCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s11;s8d12;s7;s5d14;s4;s1d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZBOXIAVGEVOBKQ_on_P41594_WT,High,ChEMBL30,CHEMBL3597597,Cc1cc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1,ZBOXIAVGEVOBKQ,ZBOXIAVGEVOBKQ-UHFFFAOYSA-N,"InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3","""AuxInfo=1/0/N:1,24,6,15,25,7,23,5,16,9,22,14,10,21,3,2,8,4,17,12,13,11,18,19,20/E:(10,11)(13,14)(24,25)/CRV:23.5/rA:25CCCCCCCCCCNCNCCCCN+OO-CCCCC/rB:s1;d2;s3;s4;t5;s6;w?7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s17;d18;s18;s11;s8s21;d4;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3599914;CHEMBL3599915,PMID:26014480,2015.0,PMID:26014480,2015,0;1,0,0,1;0,0,,=,  9.520;  8.740,9.13,0.39,0.39,2.0,9.13,0.39
-ZBPVIHJRINAVPO_on_P41594_WT,High,ChEMBL30,CHEMBL178841,O=C(Nc1ncccc1)c1nc(Cl)cnc1,ZBPVIHJRINAVPO,ZBPVIHJRINAVPO-UHFFFAOYSA-N,"InChI=1S/C10H7ClN4O/c11-8-6-12-5-7(14-8)10(16)15-9-3-1-2-4-13-9/h1-6H,(H,13,15,16)","""AuxInfo=1/1/N:8,7,9,6,16,14,10,12,4,2,13,15,5,11,3,1/rA:16OCNCNCCCCCNCClCNC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;d12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680,PMID:15686941,2005.0,PMID:15686941,2005,1,0,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-ZBSKQMBBDAMUGZ_on_P31644_WT,High,ChEMBL30,CHEMBL3681417,Cc1c(COc2ccc(C(=O)N3CCOCC3)cn2)c(-c2ccc(F)cc2)no1,ZBSKQMBBDAMUGZ,ZBSKQMBBDAMUGZ-UHFFFAOYSA-N,"InChI=1S/C21H20FN3O4/c1-14-18(20(24-29-14)15-2-5-17(22)6-3-15)13-28-19-7-4-16(12-23-19)21(26)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,22,27,8,23,26,7,13,17,14,16,18,4,2,21,9,24,3,6,20,10,25,19,28,12,11,15,5,29/E:(2,3)(5,6)(8,9)(10,11)/rA:29CCCCOCCCCCONCCOCCCNCCCCCFCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s12s16;s9;s6d18;s3;s20;d21;s22;d23;s24;s24;s21d26;d20;s2s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-ZBVOYZLUGDNXJO_on_P41594_WT,Medium,ChEMBL30,CHEMBL245607,CN1CC(=O)N=C1NC(=O)Nc1ccncc1Cl,ZBVOYZLUGDNXJO,ZBVOYZLUGDNXJO-UHFFFAOYSA-N,"InChI=1S/C10H10ClN5O2/c1-16-5-8(17)14-9(16)15-10(18)13-7-2-3-12-4-6(7)11/h2-4H,5H2,1H3,(H2,12,13,14,15,17,18)","""AuxInfo=1/1/N:1,13,14,16,3,17,12,4,7,9,18,15,11,6,8,2,5,10/rA:18CNCCONCNCONCCCNCCCl/rB:s1;s2;s3;d4;s4;s2w?6;s7;s8;d9;s9;s11;d12;s13;d14;s15;s12d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL885955,PMID:17196387,2007.0,PMID:17196387,2007,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZBYAJQNFTPTNFI_on_P31644_WT,High,ChEMBL30,CHEMBL3676542,Cc1c(COc2ccc(C(=O)NC3CCOCC3)cn2)c(-c2cccc(F)c2)no1,ZBYAJQNFTPTNFI,ZBYAJQNFTPTNFI-UHFFFAOYSA-N,"InChI=1S/C22H22FN3O4/c1-14-19(21(26-30-14)15-3-2-4-17(23)11-15)13-29-20-6-5-16(12-24-20)22(27)25-18-7-9-28-10-8-18/h2-6,11-12,18H,7-10,13H2,1H3,(H,25,27)","""AuxInfo=1/1/N:1,24,23,25,8,7,14,18,15,17,28,19,4,2,22,9,26,13,3,6,21,10,27,20,12,29,11,16,5,30/E:(7,8)(9,10)/rA:30CCCCOCCCCCONCCCOCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s9;s6d19;s3;s21;d22;s23;d24;s25;s26;s22d26;d21;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.770,8.77,0.0,0.0,1.0,8.77,0.0
-ZBZNBRLJRWPWRY_on_Q05586_WT,Low,ChEMBL30,CHEMBL3797818,CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C(F)(F)F)ccc3)cc(=O)n12,ZBZNBRLJRWPWRY,ZBZNBRLJRWPWRY-UHFFFAOYSA-N,"InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,8,2,23,24,22,13,25,7,14,12,17,26,15,6,4,10,18,16,19,20,21,3,11,28,27,5,9/E:(20,21,22)/rA:28CCNCOCCCSCNCCCCFCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;s17;s18;s18;s18;d17;s22;s14d23;d12;s25;d26;s6s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-ZBZNBRLJRWPWRY_on_Q12879_WT,Low,ChEMBL30,CHEMBL3797818,CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C(F)(F)F)ccc3)cc(=O)n12,ZBZNBRLJRWPWRY,ZBZNBRLJRWPWRY-UHFFFAOYSA-N,"InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)","""AuxInfo=1/1/N:1,8,2,23,24,22,13,25,7,14,12,17,26,15,6,4,10,18,16,19,20,21,3,11,28,27,5,9/E:(20,21,22)/rA:28CCNCOCCCSCNCCCCFCCFFFCCCCCON/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s12;s13;d14;s15;s15;s17;s18;s18;s18;d17;s22;s14d23;d12;s25;d26;s6s10s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.920,5.92,0.0,0.0,1.0,5.92,0.0
-ZCBQDFMPTQFPEB_on_O15399_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_O60391_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_Q05586_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_Q12879_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_Q13224_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBQDFMPTQFPEB_on_Q14957_WT,Low,ChEMBL30,CHEMBL41691,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl,ZCBQDFMPTQFPEB,ZCBQDFMPTQFPEB-UHFFFAOYSA-N,"InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)","""AuxInfo=1/1/N:1,3,2,4,16,5,12,9,7,17,11,6,13,10,8,14,15/E:(16,17)/CRV:13.5/rA:17CCCCCNCOCONCN+OO-CCl/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.350,7.35,0.0,0.0,1.0,7.35,0.0
-ZCBYLQDGEAYSSU_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL359909;44390403,Cc1c(C)c2c(cc1OCc1cc(CSc3ccncc3)ccc1)CC(C1CCCC1)C2=O,ZCBYLQDGEAYSSU,ZCBYLQDGEAYSSU-UHFFFAOYSA-N,"InChI=1S/C29H31NO2S/c1-19-20(2)28-24(15-26(29(28)31)23-8-3-4-9-23)16-27(19)32-17-21-6-5-7-22(14-21)18-33-25-10-12-30-13-11-25/h5-7,10-14,16,23,26H,3-4,8-9,15,17-18H2,1-2H3","""AuxInfo=1/0/N:1,4,29,30,23,24,22,28,31,17,21,18,20,12,25,7,10,14,2,3,11,13,27,6,16,26,8,5,32,19,33,9,15/E:(3,4)(8,9)(10,11)(12,13)/rA:33CCCCCCCCOCCCCCSCCCNCCCCCCCCCCCCCO/rB:s1;d2;s3;s3;d5;s6;s2d7;s8;s9;s10;d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;d13;s22;s11d23;s6;s25;s26;s27;s28;s29;s27s30;s5s26;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.220;  6.225,6.223,0.002,0.002,2.0,6.223,0.002
-ZCIFWRHIEBXBOY_on_O00591_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_O14764_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P14867_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P18505_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P18507_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P28472_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P31644_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P34903_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P47869_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P47870_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P48169_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_P78334_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.390;  5.360,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIFWRHIEBXBOY_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322864,Nc1ccc(C(=O)O)cn1,ZCIFWRHIEBXBOY,ZCIFWRHIEBXBOY-UHFFFAOYSA-N,"InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)","""AuxInfo=1/1/N:4,3,9,5,2,6,1,10,7,8/E:(9,10)/rA:10NCCCCCOOCN/rB:s1;d2;s3;d4;s5;d6;s6;s5;s2d9;/rC:;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.360;  5.390,5.375,0.015,0.015,2.0,5.375,0.015
-ZCIHOOYQUGPXHZ_on_Q13224_WT,High,ChEMBL30,CHEMBL3735947,O=[N+]([O-])c1ccc2CCC(NCCCc3ccccc3)CCc2c1,ZCIHOOYQUGPXHZ,ZCIHOOYQUGPXHZ-UHFFFAOYSA-N,"InChI=1S/C20H24N2O2/c23-22(24)20-13-10-17-8-11-19(12-9-18(17)15-20)21-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,10,13,15,19,21H,4,7-9,11-12,14H2","""AuxInfo=1/0/N:18,17,19,13,16,20,14,8,22,6,9,21,5,12,24,15,7,23,10,4,11,2,1,3/E:(2,3)(5,6)(23,24)/CRV:22.5/rA:24ON+O-CCCCCCCNCCCCCCCCCCCCC/rB:d1;s2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s10;s21;s7s22;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL4610803,PMID:26531150,2015.0,PMID:31843460,2020,0,0,0,1,0,,=,  8.800,8.8,0.0,0.0,1.0,8.8,0.0
-ZCJBXYJAXXZOLN_on_Q14416_WT,High,ChEMBL30,CHEMBL3919306,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1,ZCJBXYJAXXZOLN,ZCJBXYJAXXZOLN-UHFFFAOYSA-N,"InChI=1S/C21H18F3N3O/c22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27/h1-6,9-10H,7-8,11-12H2,(H2,25,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,26,5,18,25,17,7,10,14,6,27,4,2,22,11,23,24,1,28,19,3/E:(2,3)(4,5)(23,24)/rA:28NCOCCCCCCCFCCCCCCCNCCCFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s19s22;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4620114,PATENT:US9278960B2,2016.0,PMID:32173198,2020,1,0,0,0,0,,=,  7.210,7.21,0.0,0.0,1.0,7.21,0.0
-ZCJBXYJAXXZOLN_on_Q14832_WT,Low,ChEMBL30,CHEMBL3919306,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1,ZCJBXYJAXXZOLN,ZCJBXYJAXXZOLN-UHFFFAOYSA-N,"InChI=1S/C21H18F3N3O/c22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27/h1-6,9-10H,7-8,11-12H2,(H2,25,28)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,26,5,18,25,17,7,10,14,6,27,4,2,22,11,23,24,1,28,19,3/E:(2,3)(4,5)(23,24)/rA:28NCOCCCCCCCFCCCCCCCNCCCFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s22;s19s22;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4620115,PMID:32173198,2020.0,PMID:32173198,2020,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZCKJLZXTYGDFNU_on_Q14833_WT,High,ExCAPE-DB,56587817,FC(F)Oc1cccc(Nc2noc3cccnc23)c1,ZCKJLZXTYGDFNU,ZCKJLZXTYGDFNU-UHFFFAOYSA-N,"InChI=1S/C13H9F2N3O2/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11/h1-7,13H,(H,17,18)","""AuxInfo=1/1/N:7,16,8,6,15,17,20,9,5,14,19,11,2,1,3,18,10,12,4,13/E:(14,15)/rA:20FCFOCCCCCNCNOCCCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s9;s10;d11;s12;s13;d14;s15;d16;s17;s11s14d18;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,,=,  6.444,6.444,0.0,0.0,1.0,6.444,0.0
-ZCKPCHLKDMBKDN_on_P31644_WT,High,ChEMBL30,CHEMBL3676456,Cc1c(COc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)no1,ZCKPCHLKDMBKDN,ZCKPCHLKDMBKDN-UHFFFAOYSA-N,"InChI=1S/C17H13F3N2O2/c1-11-14(16(22-24-11)12-5-3-2-4-6-12)10-23-15-8-7-13(9-21-15)17(18,19)20/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,20,19,21,18,22,8,7,14,4,2,17,9,3,6,16,10,11,12,13,15,23,5,24/E:(3,4)(5,6)(18,19,20)/rA:24CCCCOCCCCCFFFCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;s10;s10;s9;s6d14;s3;s16;d17;s18;d19;s20;s17d21;d16;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.220,7.22,0.0,0.0,1.0,7.22,0.0
-ZCLWMBHPQADVDB_on_P41594_WT,High,ChEMBL30,CHEMBL2069381,Cc1ccc(N2CC(c3nc(-c4ccccc4)no3)CC2=O)cc1,ZCLWMBHPQADVDB,ZCLWMBHPQADVDB-UHFFFAOYSA-N,"InChI=1S/C19H17N3O2/c1-13-7-9-16(10-8-13)22-12-15(11-17(22)23)19-20-18(21-24-19)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,3,24,4,23,20,7,2,12,8,5,21,11,9,10,18,6,22,19/E:(3,4)(5,6)(7,8)(9,10)/rA:24CCCCCNCCCNCCCCCCCNOCCOCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;d11;s9s18;s8;s6s20;d21;s5;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-ZCNGUTRDVSCUJO_on_P41594_WT,High,ChEMBL30,CHEMBL204404,Cc1cc(-n2cc(C(N)=O)nc2C)cc(OCc2cccc(Cl)c2)n1,ZCNGUTRDVSCUJO,ZCNGUTRDVSCUJO-UHFFFAOYSA-N,"InChI=1S/C18H17ClN4O2/c1-11-6-15(23-9-16(18(20)24)22-12(23)2)8-17(21-11)25-10-13-4-3-5-14(19)7-13/h3-9H,10H2,1-2H3,(H2,20,24)","""AuxInfo=1/1/N:1,13,20,19,21,3,24,14,6,17,2,12,18,22,4,7,15,8,23,9,25,11,5,10,16/rA:25CCCCNCCCNONCCCCOCCCCCCClCN/rB:s1;d2;s3;s4;s5;d6;s7;s8;d8;s7;s5d11;s12;d4;s14;s15;s16;s17;d18;s19;d20;s21;s22;s18d22;s2d15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL860880,PMID:16439120,2006.0,PMID:16439120,2006,0,0,0,1,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-ZCNPLYKMWYGSNV_on_P41594_WT,High,ChEMBL30,CHEMBL3605299,CC1Cc2c(CN1C(=O)c1ccc(F)cc1)oc(COc1ccccc1)n2,ZCNPLYKMWYGSNV,ZCNPLYKMWYGSNV-UHFFFAOYSA-N,"InChI=1S/C21H19FN2O3/c1-14-11-18-19(12-24(14)21(25)15-7-9-16(22)10-8-15)27-20(23-18)13-26-17-5-3-2-4-6-17/h2-10,14H,11-13H2,1H3","""AuxInfo=1/0/N:1,24,23,25,22,26,11,16,12,15,3,6,19,2,10,13,21,4,5,18,8,14,27,7,9,20,17/E:(3,4)(5,6)(7,8)(9,10)/rA:27CCCCCCNCOCCCCFCCOCCOCCCCCCN/rB:s1;s2;s3;d4;s5;s2s6;s7;d8;s8;d10;s11;d12;s13;s13;s10d15;s5;s17;s18;s19;s20;d21;s22;d23;s24;s21d25;s4d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-ZCNZNVIRVHJXKV_on_P41594_WT,Low,ChEMBL30,CHEMBL2426599,O=C1CCc2c(ccc(O)c2)O1,ZCNZNVIRVHJXKV,ZCNZNVIRVHJXKV-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5,10H,1,4H2","""AuxInfo=1/0/N:4,8,7,3,11,5,9,6,2,10,1,12/rA:12OCCCCCCCCOCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s5d9;s2s6;/rC:;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZCOLFLOOQUDJRO_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3965748,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(C4CC4)nc2)c3)cn1,ZCOLFLOOQUDJRO,ZCOLFLOOQUDJRO-UHFFFAOYSA-N,"InChI=1S/C22H20N6O/c1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15/h2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29)","""AuxInfo=1/1/N:1,15,23,24,14,17,27,6,19,26,28,3,16,18,22,4,13,5,12,7,8,21,9,20,25,29,11,2,10/E:(3,4)(9,10)(24,25)/rA:29CNCCCCCCNONCCCCCCCCNCCCCNCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s22;s22s23;s21;s18d25;s12d16;s4;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-ZCPJZMIIRATEAI_on_P41594_WT,High,ChEMBL30,CHEMBL3702360,COc1cccc2c1CCN1C(=O)CN=C(c3cccs3)C=C21,ZCPJZMIIRATEAI,ZCPJZMIIRATEAI-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2S/c1-22-16-5-2-4-12-13(16)7-8-20-15(12)10-14(19-11-18(20)21)17-6-3-9-23-17/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,9,10,20,22,14,7,8,16,23,3,17,12,15,11,13,2,21/rA:23COCCCCCCCCNCOCNCCCCCSCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s17s20;s16;s7s11w?22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-ZCPJZMIIRATEAI_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702360,COc1cccc2c1CCN1C(=O)CN=C(c3cccs3)C=C21,ZCPJZMIIRATEAI,ZCPJZMIIRATEAI-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2S/c1-22-16-5-2-4-12-13(16)7-8-20-15(12)10-14(19-11-18(20)21)17-6-3-9-23-17/h2-6,9-10H,7-8,11H2,1H3","""AuxInfo=1/0/N:1,5,19,6,4,18,9,10,20,22,14,7,8,16,23,3,17,12,15,11,13,2,21/rA:23COCCCCCCCCNCOCNCCCCCSCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s17s20;s16;s7s11w?22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-ZCRSCDRPLPELFZ_on_P41594_WT,High,ChEMBL30,CHEMBL3747522,O=C1c2cc(COc3ncccc3)nn2CCN1c1ccc(F)cc1,ZCRSCDRPLPELFZ,ZCRSCDRPLPELFZ-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:12,11,13,21,24,20,25,10,17,16,4,6,22,5,19,3,8,2,23,9,14,18,15,1,7/E:(4,5)(6,7)/rA:25OCCCCCOCNCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.310;  6.310,6.31,0.0,0.0,2.0,6.31,0.0
-ZCRSCDRPLPELFZ_on_Q14832_WT,High,ChEMBL30,CHEMBL3747522,O=C1c2cc(COc3ncccc3)nn2CCN1c1ccc(F)cc1,ZCRSCDRPLPELFZ,ZCRSCDRPLPELFZ-UHFFFAOYSA-N,"InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2","""AuxInfo=1/0/N:12,11,13,21,24,20,25,10,17,16,4,6,22,5,19,3,8,2,23,9,14,18,15,1,7/E:(4,5)(6,7)/rA:25OCCCCCOCNCCCCNNCCNCCCCFCC/rB:d1;s2;d3;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;d5;s3s14;s15;s16;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3749857,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-ZCUSHDLLJXLSPP_on_P41594_WT,High,ChEMBL30,CHEMBL3644406,O=C1CN=C(n2cnc(CCO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,ZCUSHDLLJXLSPP,ZCUSHDLLJXLSPP-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c26-9-7-15-12-24(13-23-15)20-10-19-18-3-1-2-16(14-4-5-14)17(18)6-8-25(19)21(27)11-22-20/h1-3,10,12-14,26H,4-9,11H2","""AuxInfo=1/0/N:26,25,27,23,24,18,10,19,11,14,3,13,7,22,9,21,17,16,15,5,2,4,8,6,20,12,1/E:(4,5)/rA:27OCCNCNCNCCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  9.000,9.0,0.0,0.0,1.0,9.0,0.0
-ZCUSHDLLJXLSPP_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644406,O=C1CN=C(n2cnc(CCO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3,ZCUSHDLLJXLSPP,ZCUSHDLLJXLSPP-UHFFFAOYSA-N,"InChI=1S/C21H22N4O2/c26-9-7-15-12-24(13-23-15)20-10-19-18-3-1-2-16(14-4-5-14)17(18)6-8-25(19)21(27)11-22-20/h1-3,10,12-14,26H,4-9,11H2","""AuxInfo=1/0/N:26,25,27,23,24,18,10,19,11,14,3,13,7,22,9,21,17,16,15,5,2,4,8,6,20,12,1/E:(4,5)/rA:27OCCNCNCNCCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;s22;s22s23;d21;s25;s16d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-ZDGAFFPOLREYSF_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907628,Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OC(F)F)c3)n2)cc(C)n1,ZDGAFFPOLREYSF,ZDGAFFPOLREYSF-UHFFFAOYSA-N,"InChI=1S/C21H20ClF2N3O2/c1-12-9-15(10-13(2)25-12)19-17-5-7-28-8-6-27(17)20(26-19)14-3-4-16(22)18(11-14)29-21(23)24/h3-4,9-11,21H,5-8H2,1-2H3","""AuxInfo=1/0/N:1,28,15,16,7,11,8,10,3,26,24,2,27,14,4,17,6,19,5,13,21,18,22,23,29,25,12,9,20/E:(1,2)(9,10)(12,13)(23,24)/rA:29CCCCCCCCOCCNCCCCCClCOCFFCNCCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s6s11;s12;s13;d14;s15;d16;s17;s17;s19;s20;s21;s21;s14d19;s5d13;d4;s26;s27;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-ZDHUMLUZTXYHOB_on_P41594_WT,High,ChEMBL30,CHEMBL3702357,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Cl)ccc3,ZDHUMLUZTXYHOB,ZDHUMLUZTXYHOB-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCClCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-ZDHUMLUZTXYHOB_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702357,O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Cl)ccc3,ZDHUMLUZTXYHOB,ZDHUMLUZTXYHOB-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2","""AuxInfo=1/0/N:21,8,22,20,7,15,16,9,11,3,14,13,18,5,12,6,2,19,4,17,1,10/rA:22OCCNCCCCCSCCCCCCNCClCCC/rB:d1;s2;s3;w?4;s5;d6;s7;d8;s6s9;s5;w?11;s12;d13;s14;s15;s2s12s16;s14;s18;d18;s20;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-ZDJHIQALUMHKKD_on_P41594_WT,Medium,ChEMBL30,CHEMBL4114528,O=C1OC2CCCCC2N1c1ccc(C#Cc2ccccc2)cn1,ZDJHIQALUMHKKD,ZDJHIQALUMHKKD-UHFFFAOYSA-N,"InChI=1S/C20H18N2O2/c23-20-22(17-8-4-5-9-18(17)24-20)19-13-12-16(14-21-19)11-10-15-6-2-1-3-7-15/h1-3,6-7,12-14,17-18H,4-5,8-9H2","""AuxInfo=1/0/N:20,19,21,7,6,18,22,8,5,16,15,13,12,23,17,14,9,4,11,2,24,10,1,3/E:(2,3)(6,7)/rA:24OCOCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s2s9;s10;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.440,7.44,0.0,0.0,1.0,7.44,0.0
-ZDLKXIOQJJRYCW_on_P14867_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.570,7.57,0.0,0.0,1.0,7.57,0.0
-ZDLKXIOQJJRYCW_on_P18507_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680432;CHEMBL680669;CHEMBL682709;CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.380;  9.030;  8.240;  7.570,8.305,0.519,0.299,4.0,8.31,0.395
-ZDLKXIOQJJRYCW_on_P28472_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL677034;CHEMBL680432;CHEMBL682709;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.570;  8.380;  8.240;  9.030,8.305,0.519,0.299,4.0,8.31,0.395
-ZDLKXIOQJJRYCW_on_P31644_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  9.030,9.03,0.0,0.0,1.0,9.03,0.0
-ZDLKXIOQJJRYCW_on_P34903_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.380,8.38,0.0,0.0,1.0,8.38,0.0
-ZDLKXIOQJJRYCW_on_P47869_WT,Low,ChEMBL30,CHEMBL121277,Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1,ZDLKXIOQJJRYCW,ZDLKXIOQJJRYCW-UHFFFAOYSA-N,"InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3","""AuxInfo=1/0/N:1,19,20,25,27,24,28,18,16,14,2,15,26,23,10,11,9,6,12,5,17,29,8,7,21,3,22,13,4/E:(4,5)(6,7)/rA:29CCNOCCNNCCCCOCCCNCCCNNCCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;d12;s6s9s21;s11;s23;s24;s10s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-ZDNKJCGZBFTRPU_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3943144,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1F,ZDNKJCGZBFTRPU,ZDNKJCGZBFTRPU-UHFFFAOYSA-N,"InChI=1S/C16H13FN4O3S/c1-11-5-6-13(8-14(11)17)25(23,24)21-10-12(9-19-21)20-16(22)15-4-2-3-7-18-15/h2-10H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,17,18,16,3,4,19,23,21,10,2,11,5,24,15,13,25,20,22,12,9,14,7,8,6/E:(23,24)/CRV:25.6/rA:25CCCCCSOONCCNCOCCCCCNCNCCF/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s9d21;s5;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887497,PATENT:US9180192B2,2015.0,PATENT:US9180192B2,2015,0,1,0,0,0,,=,  6.860,6.86,0.0,0.0,1.0,6.86,0.0
-ZDOBRSDAKYWSHM_on_Q14416_WT,High,ChEMBL30,CHEMBL605831,Cn1c(CN2CCC(c3nc4c(cccc4)s3)CC2)nc2c1cccc2,ZDOBRSDAKYWSHM,ZDOBRSDAKYWSHM-UHFFFAOYSA-N,"InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3","""AuxInfo=1/0/N:1,25,15,24,14,26,16,23,13,7,18,6,19,4,8,21,11,22,12,3,9,20,10,2,5,17/E:(10,11)(12,13)/rA:26CNCCNCCCCNCCCCCCSCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s11d15;s9s12;s8;s5s18;d3;s20;s2d21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1071915;CHEMBL1071917,PMID:20005096,2010.0,PMID:20005096,2010,0,1,0,0,0,,=,  6.800;  5.500,6.15,0.65,0.65,2.0,6.15,0.65
-ZDORFMORGROZIL_on_P41594_WT,High,ChEMBL30,CHEMBL390804,COc1cccc(C#Cc2nncc(C)n2)c1,ZDORFMORGROZIL,ZDORFMORGROZIL-UHFFFAOYSA-N,"InChI=1S/C13H11N3O/c1-10-9-14-16-13(15-10)7-6-11-4-3-5-12(8-11)17-2/h3-5,8-9H,1-2H3","""AuxInfo=1/0/N:15,1,5,6,4,8,9,17,13,14,7,3,10,12,16,11,2/rA:17COCCCCCCCCNNCCCNC/rB:s1;s2;d3;s4;d5;s6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;s3d7;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888663,PMID:17569516,2007.0,PMID:17569516,2007,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-ZDQYIJNPNXCKRM_on_P41594_WT,High,ChEMBL30,CHEMBL1779869,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccc1)cc2,ZDQYIJNPNXCKRM,ZDQYIJNPNXCKRM-UHFFFAOYSA-N,"InChI=1S/C21H20N2O/c24-21-19-13-12-17(11-10-16-6-2-1-3-7-16)22-20(19)14-15-23(21)18-8-4-5-9-18/h1-3,6-7,12-13,18H,4-5,8-9,14-15H2","""AuxInfo=1/0/N:20,19,21,10,11,18,22,9,12,16,15,23,24,5,6,17,14,8,3,4,2,13,7,1/E:(2,3)(4,5)(6,7)(8,9)/rA:24OCCCCCNCCCCCNCCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780496;CHEMBL1780498,PMID:21531137,2011.0,PMID:21531137,2011,0,1;0,0,0;1,0,,=,  8.230;  6.050,7.14,1.09,1.09,2.0,7.14,1.09
-ZDRLSVCSTYWGGZ_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1808867;CHEMBL1808867;56673923,O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1,ZDRLSVCSTYWGGZ,ZDRLSVCSTYWGGZ-UHFFFAOYSA-N,"InChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(11-15)16-7-6-14(12-22-16)17-5-2-9-23(17)19(24)18-21-8-10-25-18/h1,3-4,6-8,10-12,17H,2,5,9H2","""AuxInfo=1/0/N:19,10,18,20,11,14,15,5,9,6,23,25,17,13,21,16,12,3,2,22,4,24,8,1,7/rA:25OCCNCCSNCCCCCCCCCCCCCClCNC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s8s11;s12;d13;s14;d15;s16;d17;s18;d19;s20;s21;s17d21;s16;s13d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810054;CHEMBL1810055;PubChemAID:609897,PMID:21757343,2011.0,PMID:21757343;PMID:21757343;PubChemAID:609897,2011;2011;2012,1;0;0,0,0,0;1;0,0;0;1,,=,  8.300;  6.850;  8.301,7.817,0.684,0.484,3.0,8.3,0.001
-ZDRPBJDDRMAOKL_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,44419261;CHEMBL438994,N#CN=C(NCc1ccccc1)NN1CCC(CNc2ncccn2)CC1,ZDRPBJDDRMAOKL,ZDRPBJDDRMAOKL-UHFFFAOYSA-N,"InChI=1S/C19H24N8/c20-15-25-19(24-13-16-5-2-1-3-6-16)26-27-11-7-17(8-12-27)14-23-18-21-9-4-10-22-18/h1-6,9-10,17H,7-8,11-14H2,(H,21,22,23)(H2,24,25,26)","""AuxInfo=1/1/N:10,9,11,23,8,12,16,26,22,24,15,27,6,18,2,7,17,20,4,1,21,25,19,5,3,13,14/E:(2,3)(5,6)(7,8)(9,10)(11,12)(21,22)/rA:27NCNCNCCCCCCCNNCCCCNCNCCCNCC/rB:t1;s2;w?3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s17;s14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:277227;CHEMBL856830,PMID:17249648,2007.0,PubChemAID:277227;PMID:17249648,2010;2007,0,0,0,0;1,1;0,,=,  5.509;  5.510,5.51,0.0,0.0,2.0,5.51,0.0
-ZDSJHTPIUSUYSG_on_Q14833_WT,High,ChEMBL30,CHEMBL2023459,CCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,ZDSJHTPIUSUYSG,ZDSJHTPIUSUYSG-UHFFFAOYSA-N,"InChI=1S/C20H17N3O/c1-2-24-17-8-9-19-18(10-11-21-20(19)12-17)15-13-22-23(14-15)16-6-4-3-5-7-16/h3-14H,2H2,1H3","""AuxInfo=1/0/N:1,2,15,14,16,13,17,5,6,20,21,24,19,10,9,12,4,8,7,23,22,18,11,3/E:(4,5)(6,7)/rA:24CCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s11;s9d18;d8;s20;d21;s7s22;s4d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,=,  6.270,6.27,0.0,0.0,1.0,6.27,0.0
-ZDULCLFYDBDVDF_on_P41594_WT,High,ChEMBL30,CHEMBL3702448,CCc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21,ZDULCLFYDBDVDF,ZDULCLFYDBDVDF-UHFFFAOYSA-N,"InChI=1S/C21H24N4O/c1-4-15-6-5-7-17-16(15)8-9-25-19(17)10-20(22-11-21(25)26)24-12-18(14(2)3)23-13-24/h5-7,10,12-14H,4,8-9,11H2,1-3H3","""AuxInfo=1/0/N:1,22,23,2,5,4,6,9,10,25,14,24,18,21,3,8,7,20,26,16,12,15,19,17,11,13/E:(2,3)/rA:26CCCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;s17;d18;s19;s20;s21;s21;s17d20;s16;s7s11w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.550,7.55,0.0,0.0,1.0,7.55,0.0
-ZDULCLFYDBDVDF_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702448,CCc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21,ZDULCLFYDBDVDF,ZDULCLFYDBDVDF-UHFFFAOYSA-N,"InChI=1S/C21H24N4O/c1-4-15-6-5-7-17-16(15)8-9-25-19(17)10-20(22-11-21(25)26)24-12-18(14(2)3)23-13-24/h5-7,10,12-14H,4,8-9,11H2,1-3H3","""AuxInfo=1/0/N:1,22,23,2,5,4,6,9,10,25,14,24,18,21,3,8,7,20,26,16,12,15,19,17,11,13/E:(2,3)/rA:26CCCCCCCCCCNCOCNCNCNCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;s17;d18;s19;s20;s21;s21;s17d20;s16;s7s11w?25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.190,6.19,0.0,0.0,1.0,6.19,0.0
-ZDVZEEBBIZFFGQ_on_Q14416_WT,High,ChEMBL30,CHEMBL4095995,NC1(C(=O)O)CC(NC(=O)c2ccccc2)C2C(C(=O)O)C21,ZDVZEEBBIZFFGQ,ZDVZEEBBIZFFGQ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O5/c16-15(14(21)22)6-8(9-10(11(9)15)13(19)20)17-12(18)7-4-2-1-3-5-7/h1-5,8-11H,6,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,6,11,7,17,18,22,9,19,3,2,1,8,10,20,21,4,5/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCOOCCNCOCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4023217;CHEMBL4023220,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  6.530;  7.700,7.115,0.585,0.585,2.0,7.115,0.585
-ZDVZEEBBIZFFGQ_on_Q14832_WT,High,ChEMBL30,CHEMBL4095995,NC1(C(=O)O)CC(NC(=O)c2ccccc2)C2C(C(=O)O)C21,ZDVZEEBBIZFFGQ,ZDVZEEBBIZFFGQ-UHFFFAOYSA-N,"InChI=1S/C15H16N2O5/c16-15(14(21)22)6-8(9-10(11(9)15)13(19)20)17-12(18)7-4-2-1-3-5-7/h1-5,8-11H,6,16H2,(H,17,18)(H,19,20)(H,21,22)","""AuxInfo=1/1/N:14,13,15,12,16,6,11,7,17,18,22,9,19,3,2,1,8,10,20,21,4,5/E:(2,3)(4,5)(19,20)(21,22)/rA:22NCCOOCCNCOCCCCCCCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s9;d11;s12;d13;s14;s11d15;s7;s17;s18;d19;s19;s2s17s18;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL4023218;CHEMBL4023224,PMID:29350927,2018.0,PMID:29350927,2018,0,0;1,0,1;0,0,,=,  8.170;  8.300,8.235,0.065,0.065,2.0,8.235,0.065
-ZDWSNKPLZUXBPE_on_P14867_WT,Low,ChEMBL30,CHEMBL321841,CC(C)(C)c1cc(O)cc(C(C)(C)C)c1,ZDWSNKPLZUXBPE,ZDWSNKPLZUXBPE-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3","""AuxInfo=1/0/N:1,3,4,12,13,14,15,6,9,5,10,7,2,11,8/E:(1,2,3,4,5,6)(8,9)(10,11)(13,14)/rA:15CCCCCCCOCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;s11;s11;s11;s5d10;/rC:;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.300;  4.000,3.65,0.35,0.35,2.0,3.65,0.35
-ZDWSNKPLZUXBPE_on_P18507_WT,Low,ChEMBL30,CHEMBL321841,CC(C)(C)c1cc(O)cc(C(C)(C)C)c1,ZDWSNKPLZUXBPE,ZDWSNKPLZUXBPE-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3","""AuxInfo=1/0/N:1,3,4,12,13,14,15,6,9,5,10,7,2,11,8/E:(1,2,3,4,5,6)(8,9)(10,11)(13,14)/rA:15CCCCCCCOCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;s11;s11;s11;s5d10;/rC:;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.300;  4.000,3.65,0.35,0.35,2.0,3.65,0.35
-ZDWSNKPLZUXBPE_on_P47870_WT,Low,ChEMBL30,CHEMBL321841,CC(C)(C)c1cc(O)cc(C(C)(C)C)c1,ZDWSNKPLZUXBPE,ZDWSNKPLZUXBPE-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3","""AuxInfo=1/0/N:1,3,4,12,13,14,15,6,9,5,10,7,2,11,8/E:(1,2,3,4,5,6)(8,9)(10,11)(13,14)/rA:15CCCCCCCOCCCCCCC/rB:s1;s2;s2;s2;d5;s6;s7;d7;s9;s10;s11;s11;s11;s5d10;/rC:;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678910;CHEMBL678911,PMID:12109905,2002.0,PMID:12109905,2002,0,1,0,0,0,,=,  3.300;  4.000,3.65,0.35,0.35,2.0,3.65,0.35
-ZDYQHQLIHSZGOC_on_P41594_WT,High,ChEMBL30,CHEMBL2069376,O=C1CC(c2nc(-c3ccc(F)cc3)no2)CN1c1ccc(Cl)cc1,ZDYQHQLIHSZGOC,ZDYQHQLIHSZGOC-UHFFFAOYSA-N,"InChI=1S/C18H13ClFN3O2/c19-13-3-7-15(8-4-13)23-10-12(9-16(23)24)18-21-17(22-25-18)11-1-5-14(20)6-2-11/h1-8,12H,9-10H2","""AuxInfo=1/0/N:9,14,21,24,10,13,20,25,3,17,8,4,22,11,19,2,7,5,23,12,6,15,18,1,16/E:(1,2)(3,4)(5,6)(7,8)/rA:25OCCCCNCCCCCFCCNOCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s11;s11;s8d13;d7;s5s15;s4;s2s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2072730,PMID:22832311,2012.0,PMID:22832311,2012,0,1,0,0,0,,=,  5.770,5.77,0.0,0.0,1.0,5.77,0.0
-ZECGWTJFMJGWGL_on_Q14416_WT,High,ChEMBL30,CHEMBL1097380,CC(C)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,ZECGWTJFMJGWGL,ZECGWTJFMJGWGL-UHFFFAOYSA-N,"InChI=1S/C19H21NO3/c1-14(2)15-7-6-10-17(11-15)22-13-18-12-20(19(21)23-18)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3","""AuxInfo=1/0/N:1,3,15,14,16,22,23,13,17,21,5,10,8,2,4,12,6,9,18,11,19,7,20/E:(1,2)(4,5)(8,9)/rA:23CCCCCCOCCCNCCCCCCCOOCCC/rB:s1;s2;s2;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;d18;s9s18;d6;s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZECHOCFAIQZSIQ_on_P31644_WT,High,ChEMBL30,CHEMBL3676478,Cc1c(COc2ccc(C(=O)NC(C)C)cn2)c(-c2ccccc2)no1,ZECHOCFAIQZSIQ,ZECHOCFAIQZSIQ-UHFFFAOYSA-N,"InChI=1S/C20H21N3O3/c1-13(2)22-20(24)16-9-10-18(21-11-16)25-12-17-14(3)26-23-19(17)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,22,24)","""AuxInfo=1/1/N:14,15,1,22,21,23,20,24,8,7,16,4,13,2,19,9,3,6,18,10,17,12,25,11,5,26/E:(1,2)(5,6)(7,8)/rA:26CCCCOCCCCCONCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13;s9;s6d16;s3;s18;d19;s20;d21;s22;s19d23;d18;s2s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.890,8.89,0.0,0.0,1.0,8.89,0.0
-ZEEOGWVZWOURAE_on_O00591_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_O14764_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P14867_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P18505_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P18507_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P28472_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P31644_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P34903_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P47869_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P47870_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P48169_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_P78334_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_Q16445_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEEOGWVZWOURAE_on_Q99928_WT,Low,ChEMBL30,CHEMBL145881,O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12,ZEEOGWVZWOURAE,ZEEOGWVZWOURAE-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-11-4-5-15-13(7-11)14(9-19-15)16(22)17(23)20-8-10-2-1-3-12(21)6-10/h1-7,9,19,21H,8H2,(H,20,23)","""AuxInfo=1/1/N:10,11,9,19,18,6,22,4,15,5,20,7,23,14,17,12,2,21,16,3,8,13,1/rA:23OCNCCCCOCCCCOCCNCCCCClCC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s20;s14s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZEGCTEUAKXPANL_on_Q13255_WT,High,ChEMBL30,CHEMBL3758756,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)ncs1,ZEGCTEUAKXPANL,ZEGCTEUAKXPANL-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O3S/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,18,23,10,15,3,4,12,16,19,24,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCClCCCCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3762431,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,=,  5.860;  5.860,5.86,0.0,0.0,2.0,5.86,0.0
-ZEGCTEUAKXPANL_on_Q14833_WT,Low,ChEMBL30,CHEMBL3758756,Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)ncs1,ZEGCTEUAKXPANL,ZEGCTEUAKXPANL-UHFFFAOYSA-N,"InChI=1S/C19H11Cl2N3O3S/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,22,20,8,9,25,27,2,7,14,18,23,10,15,3,4,12,16,19,24,26,6,11,5,13,17,28/rA:28CCCCONCCCCNCOCCCOCClCCCCClCNCS/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s11;d12;s12;d14;s11s15;d16;s15;s18;d18;s20;s14d21;s10;s23;s7d23;s3;d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3762433,PMID:26778256,2016.0,PMID:26778256,2016,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZEGQNDRNAHDIPX_on_P41594_WT,Medium,ChEMBL30,CHEMBL3924547,COC1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C,ZEGQNDRNAHDIPX,ZEGQNDRNAHDIPX-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O2/c1-20(2)13-23(19(24)18(20)25-3)17-10-9-15(12-22-17)8-7-14-5-4-6-16(21)11-14/h4-6,9-12,18H,13H2,1-3H3","""AuxInfo=1/0/N:24,25,1,15,14,16,12,11,9,8,19,20,22,13,10,17,7,3,4,23,18,21,6,5,2/E:(1,2)/rA:25COCCONCCCCCCCCCCCFCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s17;s13d17;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.370,7.37,0.0,0.0,1.0,7.37,0.0
-ZEPRJTIROOGJSN_on_O15303_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL566530;44817596,CCOC(=O)c1c(N)sc(-c2c(Cl)cccc2)c1C,ZEPRJTIROOGJSN,ZEPRJTIROOGJSN-UHFFFAOYSA-N,"InChI=1S/C14H14ClNO2S/c1-3-18-14(17)11-8(2)12(19-13(11)16)9-6-4-5-7-10(9)15/h4-7H,3,16H2,1-2H3","""AuxInfo=1/0/N:1,19,2,16,15,17,14,18,11,12,6,10,7,4,13,8,5,3,9/rA:19CCOCOCCNSCCCClCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;s10;d11;s12;s12;d14;s15;s11d16;s6d10;s18;/rC:;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812;PubChemAID:439881,PMID:19819046,2010.0,PMID:19819046;PubChemAID:439881,2010,1;0,0,0,0,0;1,,=,  5.240;  5.244,5.242000000000001,0.002,0.002,2.0,5.242000000000001,0.002
-ZESDXTPTWICCGI_on_P41594_WT,Medium,ChEMBL30,CHEMBL4107395,CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)C2CCCC21,ZESDXTPTWICCGI,ZESDXTPTWICCGI-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c1-23-17-9-5-8-16(17)18(20(23)24)19-21-12-15(13-22-19)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-18H,5,8-9H2,1H3","""AuxInfo=1/0/N:1,15,14,16,22,13,17,21,23,11,10,8,18,12,9,20,24,5,6,3,7,19,2,4/E:(3,4)(6,7)(12,13)(21,22)/rA:24CNCOCCNCCCCCCCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s20;s21;s22;s2s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZEYPIKIYXKEFJK_on_Q13255_WT,Low,ChEMBL30,CHEMBL2205369,COc1ccc(-n2cnc3c(sc4c3c(Nc3cccc(Cl)c3)ncn4)c2=O)cc1,ZEYPIKIYXKEFJK,ZEYPIKIYXKEFJK-UHFFFAOYSA-N,"InChI=1S/C21H14ClN5O2S/c1-29-15-7-5-14(6-8-15)27-11-25-17-16-19(26-13-4-2-3-12(22)9-13)23-10-24-20(16)30-18(17)21(27)28/h2-11H,1H3,(H,23,24,26)","""AuxInfo=1/1/N:1,19,20,18,5,29,4,30,23,25,8,21,17,6,3,14,10,11,15,13,27,22,24,26,9,16,7,28,2,12/E:(5,6)(7,8)/rA:30COCCCCNCNCCSCCCNCCCCCClCNCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;d17;s18;d19;s20;s21;s17d21;d15;s24;s13d25;s7s11;d27;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL2211246,PMID:23084894,2012.0,PMID:23084894,2012,1,0,0,0,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZEZZTCITJRXVEQ_on_Q13255_WT,High,ChEMBL30,CHEMBL1951684,COc1ccc(-n2ccc3c(sc4c3c(NCCO)ccn4)c2=O)cc1,ZEZZTCITJRXVEQ,ZEZZTCITJRXVEQ-UHFFFAOYSA-N,"InChI=1S/C19H17N3O3S/c1-25-13-4-2-12(3-5-13)22-10-7-14-16-15(20-9-11-23)6-8-21-18(16)26-17(14)19(22)24/h2-8,10,23H,9,11H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,5,25,4,26,20,9,21,17,8,18,6,3,10,15,14,11,13,23,16,22,7,19,24,2,12/E:(2,3)(4,5)/rA:26COCCCCNCCCCSCCCNCCOCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  6.910,6.91,0.0,0.0,1.0,6.91,0.0
-ZFAHGJKXKXPLNN_on_Q14833_WT,High,ChEMBL30,CHEMBL4088412,ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(C(F)(F)F)cc2,ZFAHGJKXKXPLNN,ZFAHGJKXKXPLNN-UHFFFAOYSA-N,"InChI=1S/C19H11F3N2O2/c20-19(21,22)13-5-6-17-14(8-13)15(24-25)9-18(26-17)16-7-11-3-1-2-4-12(11)10-23-16/h1-10,25H","""AuxInfo=1/0/N:12,11,13,10,25,26,15,19,4,8,14,9,20,18,3,6,17,5,21,22,23,24,7,2,1,16/E:(20,21,22)/rA:26ONCCCCNCCCCCCCCOCCCCCFFFCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s5;s16;s3d17;s18;d19;s20;s21;s21;s21;s20;s17d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  5.610,5.61,0.0,0.0,1.0,5.61,0.0
-ZFBFICSZKAYMMA_on_P18507_WT,Low,ChEMBL30,CHEMBL236208,CCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,ZFBFICSZKAYMMA,ZFBFICSZKAYMMA-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-22(21-20-10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,12,18,7,13,6,10,19,9,14,11,20,15,16,17,22,21,8/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-ZFBFICSZKAYMMA_on_P47869_WT,Low,ChEMBL30,CHEMBL236208,CCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,ZFBFICSZKAYMMA,ZFBFICSZKAYMMA-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-22(21-20-10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,12,18,7,13,6,10,19,9,14,11,20,15,16,17,22,21,8/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-ZFBFICSZKAYMMA_on_P47870_WT,Low,ChEMBL30,CHEMBL236208,CCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1,ZFBFICSZKAYMMA,ZFBFICSZKAYMMA-UHFFFAOYSA-N,"InChI=1S/C14H14Cl2F3N3/c1-2-3-4-5-10-8-22(21-20-10)13-11(15)6-9(7-12(13)16)14(17,18)19/h6-8H,2-5H2,1H3","""AuxInfo=1/0/N:1,2,3,4,5,12,18,7,13,6,10,19,9,14,11,20,15,16,17,22,21,8/E:(6,7)(11,12)(15,16)(17,18,19)/rA:22CCCCCCCNCCClCCCFFFCCClNN/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;s10;d12;s13;s14;s14;s14;s13;s9d18;s19;s8;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL898324,PMID:17544280,2007.0,PMID:17544280,2007,0,0,0,1,0,,=,  5.860,5.86,0.0,0.0,1.0,5.86,0.0
-ZFCLOKCAYKRKDI_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3903357,CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Cl,ZFCLOKCAYKRKDI,ZFCLOKCAYKRKDI-UHFFFAOYSA-N,"InChI=1S/C22H24ClN3O2/c1-4-28-20-13-16(5-6-18(20)23)22-25-21(17-11-14(2)24-15(3)12-17)19-7-9-27-10-8-26(19)22/h5-6,11-13H,4,7-10H2,1-3H3","""AuxInfo=1/0/N:1,13,16,2,25,26,19,23,20,22,11,17,5,12,15,6,10,27,18,4,9,7,28,14,8,24,21,3/E:(2,3)(11,12)(14,15)/rA:28CCOCCCCNCCCCCNCCCCCCOCCNCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;s12;d12;s14;s15;s10d15;d9;s18;s19;s20;s21;s22;s7s18s23;d6;s25;s4d26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.640,7.64,0.0,0.0,1.0,7.64,0.0
-ZFDGRVNBJAHAFT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4110503,CC1Cn2c(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccnc(CF)c3)c2CCO1,ZFDGRVNBJAHAFT,ZFDGRVNBJAHAFT-UHFFFAOYSA-N,"InChI=1S/C21H19F4N3O2/c1-13-12-28-18(7-9-29-13)19(15-6-8-26-16(10-15)11-22)27-20(28)14-2-4-17(5-3-14)30-21(23,24)25/h2-6,8,10,13H,7,9,11-12H2,1H3","""AuxInfo=1/0/N:1,7,16,8,15,20,28,21,29,26,24,3,2,6,19,23,9,27,18,5,11,25,12,13,14,22,17,4,30,10/E:(2,3)(4,5)(23,24,25)/rA:30CCCNCCCCCOCFFFCCNCCCCNCCFCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;s11;s11;s11;s9;s6d15;d5;s17;s18;d19;s20;d21;s22;s23;s24;s19d23;s4d18;s27;s28;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.530,7.53,0.0,0.0,1.0,7.53,0.0
-ZFIIJQZXMNBUBS_on_P41594_WT,High,ChEMBL30,CHEMBL3915411,O=C1NC(c2cncc(C#CC3CCCCC3)c2)C(c2cc(F)ccc2)O1,ZFIIJQZXMNBUBS,ZFIIJQZXMNBUBS-UHFFFAOYSA-N,"InChI=1S/C22H21FN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h4,7-8,11-15,20-21H,1-3,5-6H2,(H,25,26)","""AuxInfo=1/1/N:15,14,16,25,13,17,26,24,11,10,18,21,8,6,12,9,20,5,22,4,19,2,23,7,3,1,27/E:(2,3)(5,6)/rA:27OCNCCCNCCCCCCCCCCCCCCCFCCCO/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;t10;s11;s12;s13;s14;s15;s12s16;s5d9;s4;s19;d20;s21;s22;d22;s24;s20d25;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3869979;CHEMBL3869980,PMID:27856084,2016.0,PMID:27856084,2016,0,1;0,0,0;1,0,,=,  7.310;  7.330,7.32,0.01,0.01,2.0,7.32,0.01
-ZFJKBCLEFHRPMV_on_O15399_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_O60391_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_Q05586_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_Q12879_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_Q13224_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFJKBCLEFHRPMV_on_Q14957_WT,Low,ChEMBL30,CHEMBL41791,Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1,ZFJKBCLEFHRPMV,ZFJKBCLEFHRPMV-UHFFFAOYSA-N,"InChI=1S/C12H7ClN2O2S/c13-6-4-7-10(14-5-6)11(16)9(12(17)15-7)8-2-1-3-18-8/h1-5H,(H2,15,16,17)","""AuxInfo=1/1/N:16,15,17,10,7,8,4,14,13,5,11,2,9,6,3,12,1,18/rA:18OCNCCNCCClCCOCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;s8;s4d8;s5;s11;s2d11;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.010,5.01,0.0,0.0,1.0,5.01,0.0
-ZFKBTPPHOPDBMS_on_P41594_WT,Medium,ChEMBL30,CHEMBL3922815,CC1(C)COCCN1C(=O)c1ccc(C#Cc2cccc(F)c2)cn1,ZFKBTPPHOPDBMS,ZFKBTPPHOPDBMS-UHFFFAOYSA-N,"InChI=1S/C20H19FN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,16,15,13,12,7,6,23,24,4,17,14,21,11,9,2,22,25,8,10,5/E:(1,2)/rA:25CCCCOCCNCOCCCCCCCCCCCFCCN/rB:s1;s2;s2;s4;s5;s6;s2s7;s8;d9;s9;d11;s12;d13;s14;t15;s16;d17;s18;d19;s20;s21;s17d21;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887807,PATENT:US9227959B2,2016.0,PATENT:US9227959B2,2016,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-ZFLBRINMIQTFNB_on_O00591_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_O14764_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P14867_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P18505_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P18507_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P28472_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P31644_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P34903_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P47869_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P47870_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P48169_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_P78334_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_Q16445_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFLBRINMIQTFNB_on_Q99928_WT,Low,ChEMBL30,CHEMBL192555,O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12,ZFLBRINMIQTFNB,ZFLBRINMIQTFNB-UHFFFAOYSA-N,"InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)","""AuxInfo=1/1/N:17,16,18,8,7,15,19,9,6,14,4,5,13,11,2,3,20,10,21,12,1/E:(2,3)(6,7)/rA:21OCNCCCCCCNCOCCCCCCCNN/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s5;s10;d11;s11;s13;d14;s15;d16;s17;s14d18;d13;s2s10s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZFMVCHRMLWSPKT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3922052,Cc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cc(C)n1,ZFMVCHRMLWSPKT,ZFMVCHRMLWSPKT-UHFFFAOYSA-N,"InChI=1S/C22H21N5O/c1-13-6-16(7-14(2)25-13)8-15-4-5-18-19(17-11-24-27(3)12-17)10-21(22(23)28)26-20(18)9-15/h4-7,9-12H,8H2,1-3H3,(H2,23,28)","""AuxInfo=1/1/N:1,27,14,7,8,3,25,5,24,17,16,12,2,26,6,4,11,9,10,23,18,19,20,15,28,22,13,21/E:(1,2)(6,7)(13,14)/rA:28CCCCCCCCCCCCNCNCCCCNONCCCCCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;s10;d11;s12;s13;s13;s11d15;d10;s17;s18;s19;d19;d18;s9s22;s6d23;d4;s25;s26;s2d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZFMWNJINDHCOEY_on_O14764_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-ZFMWNJINDHCOEY_on_P14867_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZFMWNJINDHCOEY_on_P18507_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZFMWNJINDHCOEY_on_P28472_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-ZFMWNJINDHCOEY_on_P47870_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZFMWNJINDHCOEY_on_P48169_WT,Low,ChEMBL30,CHEMBL4081622,COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1,ZFMWNJINDHCOEY,ZFMWNJINDHCOEY-UHFFFAOYSA-N,"InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3","""AuxInfo=1/0/N:19,28,1,15,14,11,10,22,25,21,26,17,30,4,6,16,3,23,24,13,12,9,7,18,27,29,5,8,20,2/rA:30COCCNCCOCCCCCCCCCCCOCCCCCCCCNC/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s18;s18;s21;s16s22;s13s23;s24;s25;s9s12s26;s27;s5;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  5.690,5.69,0.0,0.0,1.0,5.69,0.0
-ZFMWSHBMGFFJML_on_O15399_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZFMWSHBMGFFJML_on_O60391_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZFMWSHBMGFFJML_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZFMWSHBMGFFJML_on_Q05586_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.700;  7.920,7.81,0.11,0.11,2.0,7.81,0.11
-ZFMWSHBMGFFJML_on_Q12879_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZFMWSHBMGFFJML_on_Q13224_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752265;CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.700;  7.920,7.81,0.11,0.11,2.0,7.81,0.11
-ZFMWSHBMGFFJML_on_Q14957_WT,Low,ChEMBL30,CHEMBL333936,O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1,ZFMWSHBMGFFJML,ZFMWSHBMGFFJML-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2","""AuxInfo=1/0/N:21,20,22,19,23,11,10,15,24,14,25,17,4,7,18,16,5,8,6,3,2,12,13,9,1/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCCCCCCOCCNNCCCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s3s6;s2;s13;s14;s15;s16;s17;d18;s19;d20;s21;s18d22;s16;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL857544,PMID:14552795,2003.0,PMID:14552795,2003,1,0,0,0,0,,=,  7.920,7.92,0.0,0.0,1.0,7.92,0.0
-ZFOFJXFVCJQXBL_on_P14867_WT,Low,ChEMBL30,CHEMBL206540,CCOC(=O)c1cnc2ccc(CC)cc2c1O,ZFOFJXFVCJQXBL,ZFOFJXFVCJQXBL-UHFFFAOYSA-N,"InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)","""AuxInfo=1/1/N:14,1,13,2,11,10,15,7,12,16,6,9,17,4,8,18,5,3/rA:18CCOCOCCNCCCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s12;s13;d12;s9s15;s6d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-ZFOFJXFVCJQXBL_on_P18507_WT,Low,ChEMBL30,CHEMBL206540,CCOC(=O)c1cnc2ccc(CC)cc2c1O,ZFOFJXFVCJQXBL,ZFOFJXFVCJQXBL-UHFFFAOYSA-N,"InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)","""AuxInfo=1/1/N:14,1,13,2,11,10,15,7,12,16,6,9,17,4,8,18,5,3/rA:18CCOCOCCNCCCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s12;s13;d12;s9s15;s6d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-ZFOFJXFVCJQXBL_on_P47870_WT,Low,ChEMBL30,CHEMBL206540,CCOC(=O)c1cnc2ccc(CC)cc2c1O,ZFOFJXFVCJQXBL,ZFOFJXFVCJQXBL-UHFFFAOYSA-N,"InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)","""AuxInfo=1/1/N:14,1,13,2,11,10,15,7,12,16,6,9,17,4,8,18,5,3/rA:18CCOCOCCNCCCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;s12;s13;d12;s9s15;s6d16;s17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL992851,PMID:18541432,2008.0,PMID:18541432,2008,0,0,0,1,0,,=,  8.230,8.23,0.0,0.0,1.0,8.23,0.0
-ZFPUZPDBHDTJCE_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,16735841;CHEMBL390803,Cc1nc(C#Cc2cc(Br)ccc2)nnc1,ZFPUZPDBHDTJCE,ZFPUZPDBHDTJCE-UHFFFAOYSA-N,"InChI=1S/C12H8BrN3/c1-9-8-14-16-12(15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3","""AuxInfo=1/0/N:1,12,13,11,6,5,8,16,2,7,9,4,10,15,3,14/rA:16CCNCCCCCCBrCCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d9;s11;s7d12;d4;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521;CHEMBL888663,PMID:17569516,2007.0,PubChemAID:291521;PMID:17569516,2010;2007,0;1,0,0,0,1;0,,=,  8.222;  8.220,8.221,0.001,0.001,2.0,8.221,0.001
-ZFPVOBQMGRHOBJ_on_O00591_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_O14764_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P14867_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P18505_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P18507_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P28472_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P31644_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P34903_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P47869_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P47870_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P48169_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_P78334_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPVOBQMGRHOBJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL79166,CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2,ZFPVOBQMGRHOBJ,ZFPVOBQMGRHOBJ-UHFFFAOYSA-N,"InChI=1S/C21H22N4/c1-24-10-4-5-16(24)11-15-13-22-19-9-8-17(12-18(15)19)25-14-23-20-6-2-3-7-21(20)25/h2-3,6-9,12-14,16,22H,4-5,10-11H2,1H3","""AuxInfo=1/0/N:1,20,21,4,5,19,22,24,25,3,7,13,9,16,8,6,14,12,11,18,23,10,17,2,15/rA:25CNCCCCCCCNCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s14;s15;d16;s17;d18;s19;d20;s21;s15s18d22;s14;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL654251,DOI:10.1016/0960-894X(95)00418-S,1995.0,DOI:10.1016/0960-894X(95)00418-S,1995,1,0,0,0,0,,=,  7.800,7.8,0.0,0.0,1.0,7.8,0.0
-ZFPZEYHRWGMJCV_on_P41594_WT,High,ChEMBL30,CHEMBL3087515,COC(=O)N1CCC2C1CCCC2(O)C#Cc1cc(C)ccc1,ZFPZEYHRWGMJCV,ZFPZEYHRWGMJCV-UHFFFAOYSA-N,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3","""AuxInfo=1/0/N:20,1,22,11,21,23,10,16,7,12,15,6,18,19,17,8,9,3,13,5,4,14,2/rA:23COCONCCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s8s12;s13;s13;t15;s16;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3761220;CHEMBL3606566;CHEMBL3606567;CHEMBL3089425,PMID:24125886,2013.0,PMID:26706173;PMID:26225459;PMID:26225459;PMID:24125886,2016;2015;2015;2013,0;0;1;1,0,0,1;1;0;0,0,,=,  8.250;  8.000;  8.000;  7.140,7.848,0.42100000000000004,0.243,4.0,8.0,0.125
-ZFWJHRHYLANHPY_on_P41594_WT,High,ChEMBL30,CHEMBL1808887,CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1,ZFWJHRHYLANHPY,ZFWJHRHYLANHPY-UHFFFAOYSA-N,"InChI=1S/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3","""AuxInfo=1/0/N:1,3,11,21,10,12,20,28,22,29,15,7,5,17,9,6,13,18,8,19,26,24,2,14,27,16,23,25,4,30/E:(1,2)/rA:30CCCOCCCCCCCCCClCNCCCCCCNCOCNCCS/rB:s1;s2;s2;s2;s5;d6;s7;s8;d9;s10;d11;s12;s13;s9d13;d8;s16;s6d17;s18;s19;s20;s21;s19s22;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1810055;CHEMBL1810054,PMID:21757343,2011.0,PMID:21757343,2011,0;1,0,0,1;0,0,,=,  4.890;  5.620,5.255,0.365,0.365,2.0,5.255,0.365
-ZFYNAPKTLWTHBC_on_Q13255_WT,High,ChEMBL30,CHEMBL3422875,N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1n[nH]cc1)C2,ZFYNAPKTLWTHBC,ZFYNAPKTLWTHBC-UHFFFAOYSA-N,"InChI=1S/C19H17N5OS/c20-10-15-14-7-9-24(19(25)16-6-8-22-23-16)12-17(14)26-18(15)21-11-13-4-2-1-3-5-13/h1-6,8,21H,7,9,11-12H2,(H,22,23)","""AuxInfo=1/1/N:10,9,11,8,12,25,16,24,17,2,6,26,7,15,3,21,14,4,19,1,5,23,22,18,20,13/E:(2,3)(4,5)/rA:26NCCCNCCCCCCCSCCCCNCOCNNCCC/rB:t1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s7d11;s4;s13;s3d14;s15;s16;s17;s18;d19;s19;d21;s22;s23;s21d24;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3423872,PMID:25984841,2015.0,PMID:25984841,2015,1,0,0,0,0,,=,  5.960,5.96,0.0,0.0,1.0,5.96,0.0
-ZGAAIHOMEBTXHT_on_P14867_WT,Low,ChEMBL30,CHEMBL3954951,CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn12,ZGAAIHOMEBTXHT,ZGAAIHOMEBTXHT-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O/c1-21(2)16(23)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-22(14)15/h3-8,10H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,10,15,11,14,19,18,6,22,9,12,20,7,17,4,8,13,21,16,2,23,5/E:(1,2)(3,4)(5,6)/rA:23CNCCOCCCCCCCFCCNCCCCFCN/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;d18;s19;s20;d20;s7s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-ZGAAIHOMEBTXHT_on_P18507_WT,Low,ChEMBL30,CHEMBL3954951,CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn12,ZGAAIHOMEBTXHT,ZGAAIHOMEBTXHT-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O/c1-21(2)16(23)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-22(14)15/h3-8,10H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,10,15,11,14,19,18,6,22,9,12,20,7,17,4,8,13,21,16,2,23,5/E:(1,2)(3,4)(5,6)/rA:23CNCCOCCCCCCCFCCNCCCCFCN/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;d18;s19;s20;d20;s7s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-ZGAAIHOMEBTXHT_on_P47870_WT,Low,ChEMBL30,CHEMBL3954951,CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn12,ZGAAIHOMEBTXHT,ZGAAIHOMEBTXHT-UHFFFAOYSA-N,"InChI=1S/C17H15F2N3O/c1-21(2)16(23)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-22(14)15/h3-8,10H,9H2,1-2H3","""AuxInfo=1/0/N:1,3,10,15,11,14,19,18,6,22,9,12,20,7,17,4,8,13,21,16,2,23,5/E:(1,2)(3,4)(5,6)/rA:23CNCCOCCCCCCCFCCNCCCCFCN/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s10;d11;s12;s12;s9d14;s8;d16;s17;d18;s19;s20;d20;s7s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3873362,PMID:27598234,2016.0,PMID:27598234,2016,0,1,0,0,0,,=,  6.390,6.39,0.0,0.0,1.0,6.39,0.0
-ZGEGOFCLSWVVKG_on_P14867_WT,Low,ChEMBL30,CHEMBL279867,CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2,ZGEGOFCLSWVVKG,ZGEGOFCLSWVVKG-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,14,15,18,2,13,20,21,8,7,9,12,5,17,16,10,19,4,6,11/E:(1,2)(7,8)/rA:25CCCNCOCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13s14;s9d12;s8;d17;s7s18;s19;s4d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.460,8.46,0.0,0.0,1.0,8.46,0.0
-ZGEGOFCLSWVVKG_on_P18507_WT,Low,ChEMBL30,CHEMBL279867,CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2,ZGEGOFCLSWVVKG,ZGEGOFCLSWVVKG-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,14,15,18,2,13,20,21,8,7,9,12,5,17,16,10,19,4,6,11/E:(1,2)(7,8)/rA:25CCCNCOCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13s14;s9d12;s8;d17;s7s18;s19;s4d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683024;CHEMBL677024;CHEMBL685347,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.240;  8.460;  6.220,7.64,1.008,0.713,3.0,8.24,0.22
-ZGEGOFCLSWVVKG_on_P34903_WT,Low,ChEMBL30,CHEMBL279867,CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2,ZGEGOFCLSWVVKG,ZGEGOFCLSWVVKG-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,14,15,18,2,13,20,21,8,7,9,12,5,17,16,10,19,4,6,11/E:(1,2)(7,8)/rA:25CCCNCOCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13s14;s9d12;s8;d17;s7s18;s19;s4d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL683024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-ZGEGOFCLSWVVKG_on_P47870_WT,Low,ChEMBL30,CHEMBL279867,CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2,ZGEGOFCLSWVVKG,ZGEGOFCLSWVVKG-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,14,15,18,2,13,20,21,8,7,9,12,5,17,16,10,19,4,6,11/E:(1,2)(7,8)/rA:25CCCNCOCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13s14;s9d12;s8;d17;s7s18;s19;s4d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685347;CHEMBL683024;CHEMBL677024,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  6.220;  8.240;  8.460,7.64,1.008,0.713,3.0,8.24,0.22
-ZGEGOFCLSWVVKG_on_Q16445_WT,Low,ChEMBL30,CHEMBL279867,CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2,ZGEGOFCLSWVVKG,ZGEGOFCLSWVVKG-UHFFFAOYSA-N,"InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3","""AuxInfo=1/0/N:1,3,24,23,25,22,14,15,18,2,13,20,21,8,7,9,12,5,17,16,10,19,4,6,11/E:(1,2)(7,8)/rA:25CCCNCOCCCNOCCCCNNCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s10;s11;s12;s13;s13s14;s9d12;s8;d17;s7s18;s19;s4d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685347,PMID:8568803,1996.0,PMID:8568803,1996,0,0,0,1,0,,=,  6.220,6.22,0.0,0.0,1.0,6.22,0.0
-ZGEMNNHBINYTKL_on_P14867_WT,Low,ChEMBL30,CHEMBL1091277,On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1,ZGEMNNHBINYTKL,ZGEMNNHBINYTKL-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:20,19,21,14,18,22,15,13,6,10,7,9,23,3,17,5,16,12,4,11,8,24,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2423449;CHEMBL1117063;CHEMBL1117063;CHEMBL4481484,PMID:20355712,2010.0,PMID:23855889;PMID:20355712;PMID:20355712;PMID:30763084,2013;2010;2010;2019,1,0,0,0,0,,=,  6.680;  6.670;  6.680;  6.680,6.678,0.004,0.002,4.0,6.68,0.0
-ZGEMNNHBINYTKL_on_P18507_WT,Low,ChEMBL30,CHEMBL1091277,On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1,ZGEMNNHBINYTKL,ZGEMNNHBINYTKL-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:20,19,21,14,18,22,15,13,6,10,7,9,23,3,17,5,16,12,4,11,8,24,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4481484;CHEMBL1117063;CHEMBL1117063;CHEMBL2423449,PMID:20355712,2010.0,PMID:30763084;PMID:20355712;PMID:20355712;PMID:23855889,2019;2010;2010;2013,1,0,0,0,0,,=,  6.680;  6.670;  6.680;  6.680,6.678,0.004,0.002,4.0,6.68,0.0
-ZGEMNNHBINYTKL_on_P47870_WT,Low,ChEMBL30,CHEMBL1091277,On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1,ZGEMNNHBINYTKL,ZGEMNNHBINYTKL-UHFFFAOYSA-N,"InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2","""AuxInfo=1/0/N:20,19,21,14,18,22,15,13,6,10,7,9,23,3,17,5,16,12,4,11,8,24,2,1/E:(2,3)(5,6)(9,10)(11,12)/rA:24ONCCCCCNCCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;s6;s7;s8;s5s9;s4;s11;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s12d16;s2d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1117063;CHEMBL1117063;CHEMBL4481484;CHEMBL2423449,PMID:20355712,2010.0,PMID:20355712;PMID:20355712;PMID:30763084;PMID:23855889,2010;2010;2019;2013,1,0,0,0,0,,=,  6.680;  6.670;  6.680;  6.680,6.678,0.004,0.002,4.0,6.68,0.0
-ZGFCSDSURCMMQW_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,10050046;CHEMBL183756,CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(C(=O)NS(C)(=O)=O)cc1,ZGFCSDSURCMMQW,ZGFCSDSURCMMQW-UHFFFAOYSA-N,"InChI=1S/C23H29NO7S/c1-4-7-20-21(13-12-19(16(2)25)22(20)26)31-15-6-5-14-30-18-10-8-17(9-11-18)23(27)24-32(3,28)29/h8-13,26H,4-7,14-15H2,1-3H3,(H,24,27)","""AuxInfo=1/1/N:1,9,28,2,17,16,3,22,31,21,32,11,12,18,15,8,23,20,7,4,13,5,24,26,10,6,25,29,30,19,14,27/E:(8,9)(10,11)(28,29)/CRV:32.6/rA:32CCCCCOCCCOCCCOCCCCOCCCCCONSCOOCC/rB:s1;s2;s3;d4;s5;s5;s7;s8;d8;d7;s11;s4d12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;s23;d24;s24;s26;s27;d27;d27;s23;s20d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240228;CHEMBL829294,PMID:15454221,2004.0,PubChemAID:240228;PMID:15454221,2010;2004,0,0;1,0,0,1;0,,=,  5.983;  5.980,5.982,0.001,0.001,2.0,5.982,0.001
-ZGHSQNBEJOFYHM_on_Q13255_WT,Low,ChEMBL30,CHEMBL394447,COCCNC(=O)c1c(C)c(C(=O)NC2CC3CCC2C3)c[nH]1,ZGHSQNBEJOFYHM,ZGHSQNBEJOFYHM-UHFFFAOYSA-N,"InChI=1S/C17H25N3O3/c1-10-13(9-19-15(10)17(22)18-5-6-23-2)16(21)20-14-8-11-3-4-12(14)7-11/h9,11-12,14,19H,3-8H2,1-2H3,(H,18,22)(H,20,21)","""AuxInfo=1/1/N:10,1,18,19,4,3,21,16,22,9,17,20,11,15,8,12,6,5,23,14,13,7,2/rA:23COCCNCOCCCCCONCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s17s20;d11;s8s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL891403,PMID:17157010,2007.0,PMID:17157010,2007,1,0,0,0,0,,>,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZGKJHOFNMZJGCV_on_P41594_WT,Medium,ChEMBL30,CHEMBL1771680,O=C(C1CC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1,ZGKJHOFNMZJGCV,ZGKJHOFNMZJGCV-UHFFFAOYSA-N,"InChI=1S/C17H18FN3O2/c18-13-5-3-4-12(10-13)15-19-16(23-20-15)14-6-1-2-9-21(14)17(22)11-7-8-11/h3-5,10-11,14H,1-2,6-9H2","""AuxInfo=1/0/N:9,8,17,16,18,10,4,5,7,21,3,15,19,11,14,12,2,20,13,22,6,1,23/E:(7,8)/rA:23OCCCCNCCCCCCNCCCCCCFCNO/rB:d1;s2;s3;s3s4;s2;s6;s7;s8;s9;s6s10;s11;d12;s13;s14;d15;s16;d17;s18;s19;s15d19;d14;s12s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1772555,PMID:21183344,2011.0,PMID:21183344,2011,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-ZGZIRBIABQGGNW_on_Q05586_WT,Low,ChEMBL30,CHEMBL161388,N=C(C=Cc1ccccc1)NCCCc1ccccc1,ZGZIRBIABQGGNW,ZGZIRBIABQGGNW-UHFFFAOYSA-N,"InChI=1S/C18H20N2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2,(H2,19,20)","""AuxInfo=1/1/N:18,8,17,19,7,9,13,16,20,6,10,14,4,3,12,15,5,2,1,11/E:(3,4)(5,6)(8,9)(10,11)/rA:20NCCCCCCCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-ZGZIRBIABQGGNW_on_Q13224_WT,Low,ChEMBL30,CHEMBL161388,N=C(C=Cc1ccccc1)NCCCc1ccccc1,ZGZIRBIABQGGNW,ZGZIRBIABQGGNW-UHFFFAOYSA-N,"InChI=1S/C18H20N2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2,(H2,19,20)","""AuxInfo=1/1/N:18,8,17,19,7,9,13,16,20,6,10,14,4,3,12,15,5,2,1,11/E:(3,4)(5,6)(8,9)(10,11)/rA:20NCCCCCCCCCNCCCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;d7;s8;s5d9;s2;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-ZGZZUBRFXLUFCP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3981623,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1,ZGZZUBRFXLUFCP,ZGZZUBRFXLUFCP-UHFFFAOYSA-N,"InChI=1S/C23H18FN3O/c24-18-6-4-17(5-7-18)20-14-22(23(25)28)27-21-13-16(3-8-19(20)21)2-1-15-9-11-26-12-10-15/h3-14H,1-2H2,(H2,25,28)","""AuxInfo=1/1/N:19,18,16,8,13,9,12,15,21,25,22,24,26,5,20,17,7,10,14,6,27,4,2,11,1,23,28,3/E:(4,5)(6,7)(9,10)(11,12)/rA:28NCOCCCCCCCFCCCCCCCCCCCNCCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;d17;s14s26;s4d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.360,7.36,0.0,0.0,1.0,7.36,0.0
-ZHBCHBKBPABMRQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013201,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1,ZHBCHBKBPABMRQ,ZHBCHBKBPABMRQ-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-23-12-11-22-24(27-25(26-22)20-9-5-2-6-10-20)21(23)17-28-15-13-19(14-16-28)18-7-3-1-4-8-18/h1-12,19,29H,13-17H2,(H,26,27)","""AuxInfo=1/1/N:25,11,24,26,10,12,23,27,9,13,4,3,20,28,19,29,17,22,21,8,16,5,2,15,7,6,14,18,1/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:29OCCCCNCCCCCCCNCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s21;s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-ZHBCHBKBPABMRQ_on_Q13224_WT,High,ExCAPE-DB;ChEMBL30,70695843;CHEMBL2013201,Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1,ZHBCHBKBPABMRQ,ZHBCHBKBPABMRQ-UHFFFAOYSA-N,"InChI=1S/C25H25N3O/c29-23-12-11-22-24(27-25(26-22)20-9-5-2-6-10-20)21(23)17-28-15-13-19(14-16-28)18-7-3-1-4-8-18/h1-12,19,29H,13-17H2,(H,26,27)","""AuxInfo=1/1/N:25,11,24,26,10,12,23,27,9,13,4,3,20,28,19,29,17,22,21,8,16,5,2,15,7,6,14,18,1/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:29OCCCCNCCCCCCCNCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s8d12;d7;s5s14;s2d15;s16;s17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s21;s18s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,PubChemAID:654953;CHEMBL2013395,PMID:22366657,2012.0,PubChemAID:654953;PMID:22366657,2013;2012,0;1,0,0,0,1;0,,=,  7.100;  7.100,7.1,0.0,0.0,2.0,7.1,0.0
-ZHCDQYFAYDRBNY_on_O00591_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_O14764_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P14867_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P18505_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P18507_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P28472_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P31644_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P34903_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P47869_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P47870_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P48169_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_P78334_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_Q16445_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHCDQYFAYDRBNY_on_Q99928_WT,Low,ChEMBL30,CHEMBL148858,O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,ZHCDQYFAYDRBNY,ZHCDQYFAYDRBNY-UHFFFAOYSA-N,"InChI=1S/C17H13N3O6/c21-14-4-1-9(5-15(14)22)7-19-17(24)16(23)12-8-18-13-3-2-10(20(25)26)6-11(12)13/h1-6,8,18,21-22H,7H2,(H,19,24)","""AuxInfo=1/1/N:12,20,19,11,6,25,4,16,5,21,26,15,18,9,7,13,2,17,3,22,10,8,14,1,23,24/E:(25,26)/CRV:20.5/rA:26OCNCCCCOCOCCCOCCNCCCCN+OO-CC/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s9;s5d11;s2;d13;s13;d15;s16;s17;d18;s19;d20;s21;d22;s22;s21;s15s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650069,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  7.320,7.32,0.0,0.0,1.0,7.32,0.0
-ZHGYUSRDOIJALS_on_P41594_WT,High,ChEMBL30;ChEMBL30;ExCAPE-DB,CHEMBL1779877;CHEMBL1779877;54585490,O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccn1)cc2,ZHGYUSRDOIJALS,ZHGYUSRDOIJALS-UHFFFAOYSA-N,"InChI=1S/C20H19N3O/c24-20-18-11-10-16(9-8-15-5-3-4-13-21-15)22-19(18)12-14-23(20)17-6-1-2-7-17/h3-5,10-11,13,17H,1-2,6-7,12,14H2","""AuxInfo=1/0/N:10,11,19,20,18,9,12,16,15,23,24,5,21,6,17,14,8,3,4,2,22,13,7,1/E:(1,2)(6,7)/rA:24OCCCCCNCCCCCNCCCCCCCCNCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s8s11;s4;d13;s14;t15;s16;d17;s18;d19;s20;s17d21;s14;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1780498;CHEMBL1780494;PubChemAID:598490,PMID:21531137,2011.0,PMID:21531137;PMID:21531137;PubChemAID:598490,2011;2011;2012,0;1;0,0,0,1;0;0,0;0;1,,=,  5.750;  6.700;  6.701,6.3839999999999995,0.44799999999999995,0.317,3.0,6.7,0.001
-ZHJHRQRNTYRLFA_on_P41594_WT,High,ChEMBL30,CHEMBL360813,Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,ZHJHRQRNTYRLFA,ZHJHRQRNTYRLFA-UHFFFAOYSA-N,"InChI=1S/C23H19N3O/c1-17-9-8-12-19(15-17)23(27)24-22-16-21(18-10-4-2-5-11-18)25-26(22)20-13-6-3-7-14-20/h2-16H,1H3,(H,24,27)","""AuxInfo=1/1/N:1,16,24,15,17,23,25,4,3,14,18,5,22,26,27,11,2,13,6,21,12,10,7,9,19,20,8/E:(4,5)(6,7)(10,11)(13,14)/rA:27CCCCCCCONCCCCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s10s19;s20;d21;s22;d23;s24;s21d25;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL829868,PMID:15537338,2004.0,PMID:15537338,2004,0,1,0,0,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-ZHNHRBPYLNHOJB_on_P14867_WT,Medium,ChEMBL30,CHEMBL461717,Cn1c(=O)c2c(ccc(C#C[Si](C)(C)C)c2)n2cnc(C(=O)OC(C)(C)C)c12,ZHNHRBPYLNHOJB,ZHNHRBPYLNHOJB-UHFFFAOYSA-N,"InChI=1S/C21H25N3O3Si/c1-21(2,3)27-20(26)17-18-23(4)19(25)15-12-14(10-11-28(5,6)7)8-9-16(15)24(18)13-22-17/h8-9,12-13H,1-7H3","""AuxInfo=1/0/N:25,26,27,1,13,14,15,8,7,10,11,16,18,9,5,6,20,28,3,21,24,19,2,17,4,22,23,12/E:(1,2,3)(5,6,7)/rA:28CNCOCCCCCCCSiCCCCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;t10;s11;s12;s12;s12;s5d9;s6;s17;d18;s19;s20;d21;s21;s23;s24;s24;s24;s2s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL991886,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  6.710,6.71,0.0,0.0,1.0,6.71,0.0
-ZHNHRBPYLNHOJB_on_P31644_WT,Medium,ChEMBL30,CHEMBL461717,Cn1c(=O)c2c(ccc(C#C[Si](C)(C)C)c2)n2cnc(C(=O)OC(C)(C)C)c12,ZHNHRBPYLNHOJB,ZHNHRBPYLNHOJB-UHFFFAOYSA-N,"InChI=1S/C21H25N3O3Si/c1-21(2,3)27-20(26)17-18-23(4)19(25)15-12-14(10-11-28(5,6)7)8-9-16(15)24(18)13-22-17/h8-9,12-13H,1-7H3","""AuxInfo=1/0/N:25,26,27,1,13,14,15,8,7,10,11,16,18,9,5,6,20,28,3,21,24,19,2,17,4,22,23,12/E:(1,2,3)(5,6,7)/rA:28CNCOCCCCCCCSiCCCCNCNCCOOCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;t10;s11;s12;s12;s12;s5d9;s6;s17;d18;s19;s20;d21;s21;s23;s24;s24;s24;s2s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,1,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-ZHNTXQSBMKGLSO_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL246611;44442428,Cc1c(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)cccc1,ZHNTXQSBMKGLSO,ZHNTXQSBMKGLSO-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O/c1-12-5-3-4-6-17(12)24-18-16(11-21-24)19(25)23(13(2)22-18)15-9-7-14(20)8-10-15/h3-11H,1-2H3","""AuxInfo=1/0/N:1,11,24,23,25,22,15,18,14,19,6,2,10,16,13,7,3,8,20,17,5,9,12,4,21/E:(7,8)(9,10)/rA:25CCCNNCCCNCCNCCCCClCCCOCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s7s12;d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL888252;PubChemAID:308216,PMID:17532216,2007.0,PMID:17532216;PubChemAID:308216,2007;2010,1;0,0,0,0,0;1,,=,  5.020;  5.022,5.021,0.001,0.001,2.0,5.021,0.001
-ZHNTXQSBMKGLSO_on_Q13255_WT,High,ChEMBL30,CHEMBL246611,Cc1c(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)cccc1,ZHNTXQSBMKGLSO,ZHNTXQSBMKGLSO-UHFFFAOYSA-N,"InChI=1S/C19H15ClN4O/c1-12-5-3-4-6-17(12)24-18-16(11-21-24)19(25)23(13(2)22-18)15-9-7-14(20)8-10-15/h3-11H,1-2H3","""AuxInfo=1/0/N:1,11,24,23,25,22,15,18,14,19,6,2,10,16,13,7,3,8,20,17,5,9,12,4,21/E:(7,8)(9,10)/rA:25CCCNNCCCNCCNCCCCClCCCOCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s8;d9;s10;s10;s12;d13;s14;d15;s16;s16;s13d18;s7s12;d20;s3;d22;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL888251,PMID:17532216,2007.0,PMID:17532216,2007,1,0,0,0,0,,=,  6.460,6.46,0.0,0.0,1.0,6.46,0.0
-ZHOTVXIWUTUNBH_on_P31644_WT,High,ChEMBL30,CHEMBL3676522,CCOC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1C,ZHOTVXIWUTUNBH,ZHOTVXIWUTUNBH-UHFFFAOYSA-N,"InChI=1S/C20H20N2O4/c1-4-24-20(23)16-10-11-18(21-13(16)2)25-12-17-14(3)26-22-19(17)15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3","""AuxInfo=1/0/N:1,26,14,2,21,20,22,19,23,7,8,11,25,13,18,6,12,9,17,4,24,16,5,3,10,15/E:(6,7)(8,9)/rA:26CCOCOCCCCOCCCCONCCCCCCCNCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s10;s11;d12;s13;s13;s15;s12d16;s17;d18;s19;d20;s21;s18d22;s9;s6d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.710,7.71,0.0,0.0,1.0,7.71,0.0
-ZHPXUSDIAXKCGY_on_P18507_WT,Low,ChEMBL30,CHEMBL208844,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1,ZHPXUSDIAXKCGY,ZHPXUSDIAXKCGY-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,34,22,7,4,25,29,13,18,23,6,24,12,9,30,19,31,32,33,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCFFFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s30;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.270,9.27,0.0,0.0,1.0,9.27,0.0
-ZHPXUSDIAXKCGY_on_P28472_WT,Low,ChEMBL30,CHEMBL208844,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1,ZHPXUSDIAXKCGY,ZHPXUSDIAXKCGY-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,34,22,7,4,25,29,13,18,23,6,24,12,9,30,19,31,32,33,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCFFFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s30;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.270,9.27,0.0,0.0,1.0,9.27,0.0
-ZHPXUSDIAXKCGY_on_P34903_WT,Low,ChEMBL30,CHEMBL208844,Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1,ZHPXUSDIAXKCGY,ZHPXUSDIAXKCGY-UHFFFAOYSA-N,"InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3","""AuxInfo=1/0/N:1,15,16,27,26,28,14,17,34,22,7,4,25,29,13,18,23,6,24,12,9,30,19,31,32,33,5,21,3,20,10,2,11,8/E:(24,25,26)/rA:34CNNCNCCOCNNCCCCCCCFNNCCCCCCCCCFFFC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;s18;d12;s20;d21;s11s22;s9d23;s24;d25;s26;d27;s28;s29;s30;s30;s30;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL853517,PMID:16621541,2006.0,PMID:16621541,2006,0,0,0,1,0,,=,  9.270,9.27,0.0,0.0,1.0,9.27,0.0
-ZHSFJQJYQFVMCA_on_P41594_WT,High,ChEMBL30,CHEMBL2151635,Cc1cccc(-c2noc(C3CCN3C(=O)Cc3ccc(F)cc3)n2)c1,ZHSFJQJYQFVMCA,ZHSFJQJYQFVMCA-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c1-13-3-2-4-15(11-13)19-22-20(26-23-19)17-9-10-24(17)18(25)12-14-5-7-16(21)8-6-14/h2-8,11,17H,9-10,12H2,1H3","""AuxInfo=1/0/N:1,4,3,5,19,24,20,23,12,13,26,17,2,18,6,21,11,15,7,10,22,25,8,14,16,9/E:(5,6)(7,8)/rA:26CCCCCCCNOCCCCNCOCCCCCFCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s11s13;s14;d15;s15;s17;d18;s19;d20;s21;s21;s18d23;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157266,PMID:22975301,2012.0,PMID:22975301,2012,0,1,0,0,0,,=,  5.720,5.72,0.0,0.0,1.0,5.72,0.0
-ZHXIMGYEMBZGOI_on_O00591_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_O14764_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P14867_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P18505_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P18507_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P28472_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P31644_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P34903_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P47869_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P47870_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P48169_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_P78334_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_Q16445_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXIMGYEMBZGOI_on_Q99928_WT,Low,ChEMBL30,CHEMBL53738,O=c1cc(-c2ccc(F)cc2)oc2c1cccc2,ZHXIMGYEMBZGOI,ZHXIMGYEMBZGOI-UHFFFAOYSA-N,InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,"""AuxInfo=1/0/N:16,17,15,18,6,11,7,10,3,5,8,14,2,13,4,9,1,12/E:(5,6)(7,8)/rA:18OCCCCCCCFCCOCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s8;s5d10;s4;s12;s2d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.440,5.44,0.0,0.0,1.0,5.44,0.0
-ZHXSGXRAFLJYFN_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,70696165;CHEMBL2024085,O=C1CCNC(NC(=O)Nc2cc(Cl)ccc2)=N1,ZHXSGXRAFLJYFN,ZHXSGXRAFLJYFN-UHFFFAOYSA-N,"InChI=1S/C11H11ClN4O2/c12-7-2-1-3-8(6-7)14-11(18)16-10-13-5-4-9(17)15-10/h1-3,6H,4-5H2,(H3,13,14,15,16,17,18)","""AuxInfo=1/1/N:16,15,17,3,4,12,13,11,2,6,8,14,5,10,18,7,1,9/rA:18OCCCNCNCONCCCClCCCN/rB:d1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s11d16;s2w?6;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:658105;CHEMBL2025194,PMID:22523618,2011.0,PubChemAID:658105;PMID:22523618,2013;2011,0;1,0,0,0,1;0,,=,  5.060;  5.060,5.06,0.0,0.0,2.0,5.06,0.0
-ZIJDSUWMPDUJQO_on_Q13255_WT,Medium,ChEMBL30,CHEMBL1257415,CCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C,ZIJDSUWMPDUJQO,ZIJDSUWMPDUJQO-UHFFFAOYSA-N,"InChI=1S/C21H31N5O2S/c1-5-23-10-13-11-26(25-18(13)21(2,3)4)12-16(27)24-20-17(19(22)28)14-8-6-7-9-15(14)29-20/h11,23H,5-10,12H2,1-4H3,(H2,22,28)(H,24,27)","""AuxInfo=1/1/N:1,27,28,29,2,21,20,22,19,4,6,8,5,17,18,9,13,25,14,12,26,15,3,11,24,7,10,16,23/E:(2,3,4)/rA:29CCNCCCNCCONCCCNOCCCCCCSNCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s13;d17;s18;s19;s20;s17s21;s12s18;s7;s5d24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1260593,PMID:20817521,2010.0,PMID:20817521,2010,0,1,0,0,0,,=,  6.100,6.1,0.0,0.0,1.0,6.1,0.0
-ZILCFACNWIDELD_on_P41594_WT,High,ChEMBL30,CHEMBL3747072,CC(Oc1ccccc1)c1nn2CCN(c3ccc(F)cc3)C(=O)c2c1,ZILCFACNWIDELD,ZILCFACNWIDELD-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c1-14(26-17-5-3-2-4-6-17)18-13-19-20(25)23(11-12-24(19)22-18)16-9-7-15(21)8-10-16/h2-10,13-14H,11-12H2,1H3","""AuxInfo=1/0/N:1,7,6,8,5,9,18,21,17,22,14,13,26,2,19,16,4,10,25,23,20,11,15,12,24,3/E:(3,4)(5,6)(7,8)(9,10)/rA:26CCOCCCCCCCNNCCNCCCCFCCCOCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s15;d23;s12s23;s10d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3749855,PMID:26684851,2016.0,PMID:26684851,2016,0,1,0,0,0,,=,  5.110;  5.110,5.11,0.0,0.0,2.0,5.11,0.0
-ZIOSCDPLBZCHSN_on_Q05586_WT,Low,ChEMBL30,CHEMBL388315,NCCCCNCCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,ZIOSCDPLBZCHSN,ZIOSCDPLBZCHSN-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-23-13-3-1-11-21(23)22-12-2-4-14-24(22)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:23,30,24,29,3,4,8,9,13,14,22,31,25,28,2,5,7,10,12,15,21,26,20,27,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCCNCCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s19d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL889737;CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.780;  6.960,6.87,0.09,0.09,2.0,6.87,0.09
-ZIOSCDPLBZCHSN_on_Q12879_WT,Low,ChEMBL30,CHEMBL388315,NCCCCNCCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,ZIOSCDPLBZCHSN,ZIOSCDPLBZCHSN-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-23-13-3-1-11-21(23)22-12-2-4-14-24(22)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:23,30,24,29,3,4,8,9,13,14,22,31,25,28,2,5,7,10,12,15,21,26,20,27,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCCNCCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s19d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL889736,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.960,6.96,0.0,0.0,1.0,6.96,0.0
-ZIOSCDPLBZCHSN_on_Q13224_WT,Low,ChEMBL30,CHEMBL388315,NCCCCNCCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2,ZIOSCDPLBZCHSN,ZIOSCDPLBZCHSN-UHFFFAOYSA-N,"InChI=1S/C25H37N5O/c26-15-5-6-16-27-17-7-8-18-28-19-9-10-20-29-25(31)30-23-13-3-1-11-21(23)22-12-2-4-14-24(22)30/h1-4,11-14,27-28H,5-10,15-20,26H2,(H,29,31)","""AuxInfo=1/1/N:23,30,24,29,3,4,8,9,13,14,22,31,25,28,2,5,7,10,12,15,21,26,20,27,17,1,6,11,16,19,18/E:(1,2)(3,4)(11,12)(13,14)(21,22)(23,24)/rA:31NCCCCNCCCCNCCCCNCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;s23;s20d24;s21;s19d26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL889737,PMID:17624774,2007.0,PMID:17624774,2007,1,0,0,0,0,,=,  6.780,6.78,0.0,0.0,1.0,6.78,0.0
-ZISOUEKJJLDSFS_on_P41594_WT,High,ChEMBL30,CHEMBL3600432,CCCN(Cc1cc(Cl)c(Nc2ccc(C)nc2)nc1)C(=O)c1nccs1,ZISOUEKJJLDSFS,ZISOUEKJJLDSFS-UHFFFAOYSA-N,"InChI=1S/C19H20ClN5OS/c1-3-7-25(19(26)18-21-6-8-27-18)12-14-9-16(20)17(23-10-14)24-15-5-4-13(2)22-11-15/h4-6,8-11H,3,7,12H2,1-2H3,(H,23,24)","""AuxInfo=1/1/N:1,16,2,14,13,25,3,26,7,20,18,5,15,6,12,8,10,23,21,9,24,17,19,11,4,22,27/rA:27CCCNCCCCClCNCCCCCNCNCCOCNCCS/rB:s1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s11;d12;s13;d14;s15;s15;s12d17;s10;s6d19;s4;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  6.230,6.23,0.0,0.0,1.0,6.23,0.0
-ZIXARPNPVJTVAV_on_P41594_WT,High,ChEMBL30,CHEMBL3702369,COc1cccc2c1CCN1C(=O)CN=C(c3cccc(C(F)(F)F)c3)C=C21,ZIXARPNPVJTVAV,ZIXARPNPVJTVAV-UHFFFAOYSA-N,"InChI=1S/C21H17F3N2O2/c1-28-19-7-3-6-15-16(19)8-9-26-18(15)11-17(25-12-20(26)27)13-4-2-5-14(10-13)21(22,23)24/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,19,5,18,20,6,4,9,10,26,27,14,17,21,7,8,16,28,3,12,22,23,24,25,15,11,13,2/E:(22,23,24)/rA:28COCCCCCCCCNCOCNCCCCCCCFFFCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s17d21;s16;s7s11w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.660,5.66,0.0,0.0,1.0,5.66,0.0
-ZIXARPNPVJTVAV_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702369,COc1cccc2c1CCN1C(=O)CN=C(c3cccc(C(F)(F)F)c3)C=C21,ZIXARPNPVJTVAV,ZIXARPNPVJTVAV-UHFFFAOYSA-N,"InChI=1S/C21H17F3N2O2/c1-28-19-7-3-6-15-16(19)8-9-26-18(15)11-17(25-12-20(26)27)13-4-2-5-14(10-13)21(22,23)24/h2-7,10-11H,8-9,12H2,1H3","""AuxInfo=1/0/N:1,19,5,18,20,6,4,9,10,26,27,14,17,21,7,8,16,28,3,12,22,23,24,25,15,11,13,2/E:(22,23,24)/rA:28COCCCCCCCCNCOCNCCCCCCCFFFCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;s9;s10;s11;d12;s12;s14;w?15;s16;d17;s18;d19;s20;s21;s22;s22;s22;s17d21;s16;s7s11w?27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.460,5.46,0.0,0.0,1.0,5.46,0.0
-ZIXIIJQSFSAZOL_on_O15399_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_O60391_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_Q05586_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_Q12879_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_Q13224_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZIXIIJQSFSAZOL_on_Q14957_WT,Low,ChEMBL30,CHEMBL2365778,N=C(N)NN=CC=Cc1ccccc1,ZIXIIJQSFSAZOL,ZIXIIJQSFSAZOL-UHFFFAOYSA-N,"InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)","""AuxInfo=1/1/N:12,11,13,7,10,14,8,6,9,2,1,3,5,4/E:(2,3)(5,6)(11,12)/rA:14NCNNNCCCCCCCCC/rB:d1;s2;s2;s4;w?5;s6;w?7;s8;d9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.230,4.23,0.0,0.0,1.0,4.23,0.0
-ZJBBCZAWPDDFJH_on_O15303_WT,Low,ChEMBL30,CHEMBL3804903,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2,ZJBBCZAWPDDFJH,ZJBBCZAWPDDFJH-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,22,21,16,20,6,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)(6,7)(10,11)/rA:22CNCONCCCCCCCNCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL3807556,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZJBBCZAWPDDFJH_on_P41594_WT,Low,ChEMBL30,CHEMBL3804903,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2,ZJBBCZAWPDDFJH,ZJBBCZAWPDDFJH-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,22,21,16,20,6,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)(6,7)(10,11)/rA:22CNCONCCCCCCCNCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3807555,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZJBBCZAWPDDFJH_on_Q14416_WT,High,ChEMBL30,CHEMBL3804903,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2,ZJBBCZAWPDDFJH,ZJBBCZAWPDDFJH-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,22,21,16,20,6,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)(6,7)(10,11)/rA:22CNCONCCCCCCCNCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3807550,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,=,  6.370,6.37,0.0,0.0,1.0,6.37,0.0
-ZJBBCZAWPDDFJH_on_Q14832_WT,Low,ChEMBL30,CHEMBL3804903,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2,ZJBBCZAWPDDFJH,ZJBBCZAWPDDFJH-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,22,21,16,20,6,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)(6,7)(10,11)/rA:22CNCONCCCCCCCNCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3807553,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZJBBCZAWPDDFJH_on_Q14833_WT,Low,ChEMBL30,CHEMBL3804903,Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2,ZJBBCZAWPDDFJH,ZJBBCZAWPDDFJH-UHFFFAOYSA-N,"InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,18,17,19,22,21,16,20,6,11,14,12,3,7,13,2,15,5,4/E:(1,2,3)(6,7)(10,11)/rA:22CNCONCCCCCCCNCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;s15;s16;s17;s18;s15s19;s14;s11d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3807554,PMID:26985321,2016.0,PMID:26985321,2016,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZJDYQLOLXCNEQG_on_P41594_WT,Medium,ChEMBL30,CHEMBL1783979,O=C(c1nc2c(cccc2)nc1)N1CCCC2(CCCCC2)C1,ZJDYQLOLXCNEQG,ZJDYQLOLXCNEQG-UHFFFAOYSA-N,"InChI=1S/C19H23N3O/c23-18(17-13-20-15-7-2-3-8-16(15)21-17)22-12-6-11-19(14-22)9-4-1-5-10-19/h2-3,7-8,13H,1,4-6,9-12,14H2","""AuxInfo=1/0/N:20,8,9,19,21,15,7,10,18,22,16,14,12,23,6,5,3,2,17,11,4,13,1/E:(4,5)(9,10)/rA:23OCCNCCCCCCNCNCCCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;s5d9;s6;s3d11;s2;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786005,PMID:19443219,2009.0,PMID:19443219,2009,1,0,0,0,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-ZJGHZRKUJXMSAA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3798166,CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1,ZJGHZRKUJXMSAA,ZJGHZRKUJXMSAA-UHFFFAOYSA-N,"InChI=1S/C20H22FN3OS/c1-3-23(17-9-7-15(21)8-10-17)12-16-11-18(25)24-19(14-5-4-6-14)13(2)26-20(24)22-16/h7-11,14H,3-6,12H2,1-2H3","""AuxInfo=1/0/N:1,16,2,13,12,14,22,25,21,26,6,4,15,11,23,5,20,7,10,18,24,19,3,9,8,17/E:(5,6)(7,8)(9,10)/rA:26CCNCCCCONCCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s11s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-ZJGHZRKUJXMSAA_on_Q12879_WT,Low,ChEMBL30,CHEMBL3798166,CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1,ZJGHZRKUJXMSAA,ZJGHZRKUJXMSAA-UHFFFAOYSA-N,"InChI=1S/C20H22FN3OS/c1-3-23(17-9-7-15(21)8-10-17)12-16-11-18(25)24-19(14-5-4-6-14)13(2)26-20(24)22-16/h7-11,14H,3-6,12H2,1-2H3","""AuxInfo=1/0/N:1,16,2,13,12,14,22,25,21,26,6,4,15,11,23,5,20,7,10,18,24,19,3,9,8,17/E:(5,6)(7,8)(9,10)/rA:26CCNCCCCONCCCCCCCSCNCCCCFCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s11s13;d10;s15;s15;s9s17;s5d18;s3;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3801515,PMID:26919761,2016.0,PMID:26919761,2016,0,1,0,0,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-ZJMMIQORYZRSFH_on_O00222_WT,Low,ChEMBL30,CHEMBL4082813,NC(CCP(=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,ZJMMIQORYZRSFH,ZJMMIQORYZRSFH-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:10,11,3,4,18,8,9,2,14,12,19,1,15,13,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s12;s14;d15;s15;s9d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  3.558,3.5580000000000003,0.0,0.0,1.0,3.5580000000000003,0.0
-ZJMMIQORYZRSFH_on_O15303_WT,Low,ChEMBL30,CHEMBL4082813,NC(CCP(=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,ZJMMIQORYZRSFH,ZJMMIQORYZRSFH-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:10,11,3,4,18,8,9,2,14,12,19,1,15,13,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s12;s14;d15;s15;s9d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL4037500,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZJMMIQORYZRSFH_on_Q14831_WT,Low,ChEMBL30,CHEMBL4082813,NC(CCP(=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,ZJMMIQORYZRSFH,ZJMMIQORYZRSFH-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:10,11,3,4,18,8,9,2,14,12,19,1,15,13,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s12;s14;d15;s15;s9d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14831_WT,Q14831,WT,CHEMBL4037501,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZJMMIQORYZRSFH_on_Q14833_WT,High,ChEMBL30,CHEMBL4082813,NC(CCP(=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,ZJMMIQORYZRSFH,ZJMMIQORYZRSFH-UHFFFAOYSA-N,"InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)","""AuxInfo=1/1/N:10,11,3,4,18,8,9,2,14,12,19,1,15,13,20,21,16,17,6,7,5/E:(15,16)(17,18)(19,20)/CRV:13.5/rA:21NCCCPOOCCCCCOCN+OO-CCOO/rB:s1;s2;s3;s4;d5;s5;s5;s8;d9;s10;d11;s12;s12;s14;d15;s15;s9d14;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.620,4.62,0.0,0.0,1.0,4.62,0.0
-ZJPTZNVXUMZUFL_on_Q14416_WT,High,ExCAPE-DB;ChEMBL30,11633075;CHEMBL182946,CC(C)C1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,ZJPTZNVXUMZUFL,ZJPTZNVXUMZUFL-UHFFFAOYSA-N,"InChI=1S/C20H18Cl2N4O2/c1-10(2)14-7-13-8-15(17(21)18(22)16(13)19(14)27)28-9-11-3-5-12(6-4-11)20-23-25-26-24-20/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,24,25,26)","""AuxInfo=1/1/N:1,3,18,27,19,26,5,28,16,2,17,20,6,4,14,7,12,10,8,21,13,11,22,25,23,24,9,15/E:(1,2)(3,4)(5,6)(23,24)(25,26)/rA:28CCCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;s2;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;s12;s14;s15;s16;d17;s18;d19;s20;d21;s22;s23;s21d24;s20;s17d26;s6d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:240048;CHEMBL840258,PMID:15745798,2005.0,PubChemAID:240048;PMID:15745798,2010;2005,0,0;1,0,0,1;0,,=,  6.710;  6.710,6.71,0.0,0.0,2.0,6.71,0.0
-ZJQFXZYGQOXOBI_on_P41594_WT,High,ChEMBL30,CHEMBL3702404,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4F)C3=C2)ccn1,ZJQFXZYGQOXOBI,ZJQFXZYGQOXOBI-UHFFFAOYSA-N,"InChI=1S/C24H19FN4O2/c1-31-23-11-15(5-9-27-23)21-12-22-19-4-2-3-16(18-6-8-26-13-20(18)25)17(19)7-10-29(22)24(30)14-28-21/h2-6,8-9,11-13H,7,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,29,21,13,22,30,12,4,28,24,8,5,19,14,20,15,25,6,27,3,9,26,23,31,7,11,10,2/rA:31COCCCCNCCONCCCCCCCCCCCNCCFCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s25;s11s15;s6w?27;d5;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-ZJQFXZYGQOXOBI_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702404,COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4F)C3=C2)ccn1,ZJQFXZYGQOXOBI,ZJQFXZYGQOXOBI-UHFFFAOYSA-N,"InChI=1S/C24H19FN4O2/c1-31-23-11-15(5-9-27-23)21-12-22-19-4-2-3-16(18-6-8-26-13-20(18)25)17(19)7-10-29(22)24(30)14-28-21/h2-6,8-9,11-13H,7,10,14H2,1H3","""AuxInfo=1/0/N:1,17,18,16,29,21,13,22,30,12,4,28,24,8,5,19,14,20,15,25,6,27,3,9,26,23,31,7,11,10,2/rA:31COCCCCNCCONCCCCCCCCCCCNCCFCCCCN/rB:s1;s2;d3;s4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;d20;s21;d22;s23;s20d24;s25;s11s15;s6w?27;d5;s29;s3d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZJQHPWUVQPJPQT_on_O00591_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681334;CHEMBL681949;CHEMBL681951;CHEMBL3370250;CHEMBL881988,PMID:7392039,1980.0,PMID:7392039;PMID:1331456;PMID:1331456;PMID:25038482;PMID:16250647,1980;1992;1992;2014;2005,0;1;1;0;1,0,0,1;0;0;1;0,0,,=,  7.960;  6.870;  8.700;  8.220;  7.800,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQHPWUVQPJPQT_on_O14764_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681951;CHEMBL681949;CHEMBL881988;CHEMBL681334;CHEMBL3370250,PMID:7392039,1980.0,PMID:1331456;PMID:1331456;PMID:16250647;PMID:7392039;PMID:25038482,1992;1992;2005;1980;2014,1;1;1;0;0,0,0,0;0;0;1;1,0,,=,  8.700;  6.870;  7.800;  7.960;  8.220,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQHPWUVQPJPQT_on_P14867_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681951;CHEMBL681949;CHEMBL2317989;CHEMBL2317989;CHEMBL881988;CHEMBL2340052;CHEMBL681334;CHEMBL3370251;CHEMBL3370251;CHEMBL3370250,PMID:7392039,1980.0,PMID:1331456;PMID:1331456;PMID:23294161;PMID:23294161;PMID:16250647;PMID:24900684;PMID:7392039;PMID:25038482;PMID:25038482;PMID:25038482,1992;1992;2013;2013;2005;2013;1980;2014;2014;2014,1;1;0;0;1;0;0;0;0;0,0;0;1;1;0;1;0;1;1;0,0,0;0;0;0;0;0;1;0;0;1,0,,=,  8.700;  6.870;  6.270;  6.270;  7.800;  4.570;  7.960;  6.270;  6.270;  8.220,6.92,1.18,0.39299999999999996,10.0,6.57,0.765
-ZJQHPWUVQPJPQT_on_P18505_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681334;CHEMBL3370250;CHEMBL681951;CHEMBL2340052;CHEMBL881988;CHEMBL681949,PMID:7392039,1980.0,PMID:7392039;PMID:25038482;PMID:1331456;PMID:24900684;PMID:16250647;PMID:1331456,1980;2014;1992;2013;2005;1992,0;0;1;0;1;1,0;0;0;1;0;0,0,1;1;0;0;0;0,0,,=,  7.960;  8.220;  8.700;  4.570;  7.800;  6.870,7.353,1.361,0.609,6.0,7.88,0.58
-ZJQHPWUVQPJPQT_on_P18507_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370251;CHEMBL3370251;CHEMBL3370257;CHEMBL3370257;CHEMBL3370259;CHEMBL3370259;CHEMBL681951;CHEMBL681949;CHEMBL881988;CHEMBL681334;CHEMBL2318267;CHEMBL2318266;CHEMBL2318267;CHEMBL2317989;CHEMBL2317989;CHEMBL2318266;CHEMBL3370250,PMID:7392039,1980.0,PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:1331456;PMID:1331456;PMID:16250647;PMID:7392039;PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:25038482,2014;2014;2014;2014;2014;2014;1992;1992;2005;1980;2013;2013;2013;2013;2013;2013;2014,0;0;0;0;0;0;1;1;1;0;0;0;0;0;0;0;0,1;1;1;1;1;1;0;0;0;0;1;1;1;1;1;1;0,0,0;0;0;0;0;0;0;0;0;1;0;0;0;0;0;0;1,0,,=,  6.270;  6.270;  6.390;  6.390;  6.680;  6.670;  8.700;  6.870;  7.800;  7.960;  6.670;  6.390;  6.680;  6.270;  6.270;  6.390;  8.220,6.876,0.757,0.18899999999999997,17.0,6.67,0.28
-ZJQHPWUVQPJPQT_on_P28472_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL881988;CHEMBL3370250;CHEMBL681334;CHEMBL681951;CHEMBL681949;CHEMBL2340052,PMID:7392039,1980.0,PMID:16250647;PMID:25038482;PMID:7392039;PMID:1331456;PMID:1331456;PMID:24900684,2005;2014;1980;1992;1992;2013,1;0;0;1;1;0,0;0;0;0;0;1,0,0;1;1;0;0;0,0,,=,  7.800;  8.220;  7.960;  8.700;  6.870;  4.570,7.353,1.361,0.609,6.0,7.88,0.58
-ZJQHPWUVQPJPQT_on_P31644_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681949;CHEMBL681951;CHEMBL2340052;CHEMBL681334;CHEMBL881988;CHEMBL3370250,PMID:7392039,1980.0,PMID:1331456;PMID:1331456;PMID:24900684;PMID:7392039;PMID:16250647;PMID:25038482,1992;1992;2013;1980;2005;2014,1;1;0;0;1;0,0;0;1;0;0;0,0,0;0;0;1;0;1,0,,=,  6.870;  8.700;  4.570;  7.960;  7.800;  8.220,7.353,1.361,0.609,6.0,7.88,0.58
-ZJQHPWUVQPJPQT_on_P34903_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL2318267;CHEMBL2340052;CHEMBL3370259;CHEMBL3370259;CHEMBL881988;CHEMBL681951;CHEMBL681949;CHEMBL2318267;CHEMBL3370250;CHEMBL681334,PMID:7392039,1980.0,PMID:23294161;PMID:24900684;PMID:25038482;PMID:25038482;PMID:16250647;PMID:1331456;PMID:1331456;PMID:23294161;PMID:25038482;PMID:7392039,2013;2013;2014;2014;2005;1992;1992;2013;2014;1980,0;0;0;0;1;1;1;0;0;0,1;1;1;1;0;0;0;1;0;0,0,0;0;0;0;0;0;0;0;1;1,0,,=,  6.680;  4.570;  6.670;  6.680;  7.800;  8.700;  6.870;  6.670;  8.220;  7.960,7.082000000000001,1.105,0.368,10.0,6.775,0.565
-ZJQHPWUVQPJPQT_on_P47869_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250;CHEMBL881988;CHEMBL2340052;CHEMBL3370257;CHEMBL3370257;CHEMBL681334;CHEMBL2318266;CHEMBL681951;CHEMBL2318266;CHEMBL681949,PMID:7392039,1980.0,PMID:25038482;PMID:16250647;PMID:24900684;PMID:25038482;PMID:25038482;PMID:7392039;PMID:23294161;PMID:1331456;PMID:23294161;PMID:1331456,2014;2005;2013;2014;2014;1980;2013;1992;2013;1992,0;1;0;0;0;0;0;1;0;1,0;0;1;1;1;0;1;0;1;0,0,1;0;0;0;0;1;0;0;0;0,0,,=,  8.220;  7.800;  4.570;  6.390;  6.390;  7.960;  6.390;  8.700;  6.390;  6.870,6.968,1.155,0.385,10.0,6.63,0.705
-ZJQHPWUVQPJPQT_on_P47870_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2318266;CHEMBL2318266;CHEMBL2317989;CHEMBL2317989;CHEMBL2318267;CHEMBL3370257;CHEMBL3370259;CHEMBL2318267;CHEMBL3370259;CHEMBL3370257;CHEMBL3370251;CHEMBL3370251;CHEMBL2340052;CHEMBL881988;CHEMBL681334;CHEMBL681951;CHEMBL681949;CHEMBL3370250,PMID:7392039,1980.0,PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:23294161;PMID:25038482;PMID:25038482;PMID:23294161;PMID:25038482;PMID:25038482;PMID:25038482;PMID:25038482;PMID:24900684;PMID:16250647;PMID:7392039;PMID:1331456;PMID:1331456;PMID:25038482,2013;2013;2013;2013;2013;2014;2014;2013;2014;2014;2014;2014;2013;2005;1980;1992;1992;2014,0;0;0;0;0;0;0;0;0;0;0;0;0;1;0;1;1;0,1;1;1;1;1;1;1;1;1;1;1;1;1;0;0;0;0;0,0,0;0;0;0;0;0;0;0;0;0;0;0;0;0;1;0;0;1,0,,=,  6.390;  6.390;  6.270;  6.270;  6.680;  6.390;  6.680;  6.670;  6.670;  6.390;  6.270;  6.270;  4.570;  7.800;  7.960;  8.700;  6.870;  8.220,6.747999999999999,0.9059999999999999,0.22,18.0,6.53,0.26
-ZJQHPWUVQPJPQT_on_P48169_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL2340052;CHEMBL881988;CHEMBL681951;CHEMBL3370250;CHEMBL681949;CHEMBL681334,PMID:7392039,1980.0,PMID:24900684;PMID:16250647;PMID:1331456;PMID:25038482;PMID:1331456;PMID:7392039,2013;2005;1992;2014;1992;1980,0;1;1;0;1;0,1;0;0;0;0;0,0,0;0;0;1;0;1,0,,=,  4.570;  7.800;  8.700;  8.220;  6.870;  7.960,7.353,1.361,0.609,6.0,7.88,0.58
-ZJQHPWUVQPJPQT_on_P78334_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL881988;CHEMBL681949;CHEMBL3370250;CHEMBL681334;CHEMBL681951,PMID:7392039,1980.0,PMID:16250647;PMID:1331456;PMID:25038482;PMID:7392039;PMID:1331456,2005;1992;2014;1980;1992,1;1;0;0;1,0,0,0;0;1;1;0,0,,=,  7.800;  6.870;  8.220;  7.960;  8.700,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQHPWUVQPJPQT_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681949;CHEMBL681951;CHEMBL3370250;CHEMBL881988;CHEMBL681334,PMID:7392039,1980.0,PMID:1331456;PMID:1331456;PMID:25038482;PMID:16250647;PMID:7392039,1992;1992;2014;2005;1980,1;1;0;1;0,0,0,0;0;1;0;1,0,,=,  6.870;  8.700;  8.220;  7.800;  7.960,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQHPWUVQPJPQT_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681334;CHEMBL681951;CHEMBL681949;CHEMBL3370250;CHEMBL881988,PMID:7392039,1980.0,PMID:7392039;PMID:1331456;PMID:1331456;PMID:25038482;PMID:16250647,1980;1992;1992;2014;2005,0;1;1;0;1,0,0,1;0;0;1;0,0,,=,  7.960;  8.700;  6.870;  8.220;  7.800,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQHPWUVQPJPQT_on_Q16445_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL2340052;CHEMBL881988;CHEMBL681951;CHEMBL681949;CHEMBL3370250;CHEMBL681334,PMID:7392039,1980.0,PMID:24900684;PMID:16250647;PMID:1331456;PMID:1331456;PMID:25038482;PMID:7392039,2013;2005;1992;1992;2014;1980,0;1;1;1;0;0,1;0;0;0;0;0,0,0;0;0;0;1;1,0,,=,  4.570;  7.800;  8.700;  6.870;  8.220;  7.960,7.353,1.361,0.609,6.0,7.88,0.58
-ZJQHPWUVQPJPQT_on_Q99928_WT,Low,ChEMBL30,CHEMBL273481,NCc1cc(O)no1,ZJQHPWUVQPJPQT,ZJQHPWUVQPJPQT-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)","""AuxInfo=1/1/N:4,2,3,5,1,7,6,8/rA:8NCCCCONO/rB:s1;s2;d3;s4;s5;d5;s3s7;/rC:;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681334;CHEMBL681949;CHEMBL881988;CHEMBL3370250;CHEMBL681951,PMID:7392039,1980.0,PMID:7392039;PMID:1331456;PMID:16250647;PMID:25038482;PMID:1331456,1980;1992;2005;2014;1992,0;1;1;0;1,0,0,1;0;0;1;0,0,,=,  7.960;  6.870;  7.800;  8.220;  8.700,7.91,0.603,0.301,5.0,7.96,0.26
-ZJQOICZVPGQOIC_on_P41594_WT,Medium,ChEMBL30,CHEMBL3925509,CN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C,ZJQOICZVPGQOIC,ZJQOICZVPGQOIC-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3","""AuxInfo=1/0/N:21,22,23,1,13,12,14,10,9,7,6,17,18,11,8,15,5,3,20,16,19,2,4/E:(1,2,3)/rA:23CNCOCCCCCCCCCCCClCCNCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;t9;s10;d11;s12;d13;s14;s15;s11d15;s8;s5d18;s2;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888361,PATENT:US9328070B2,2016.0,PATENT:US9328070B2,2016,0,0,0,1,0,,=,  7.820,7.82,0.0,0.0,1.0,7.82,0.0
-ZJSBUMFNEAUGSZ_on_P31644_WT,High,ChEMBL30,CHEMBL3676471,Cc1c(COc2ccc(C(=O)NCc3nc(C4CC4)no3)cn2)c(-c2ccccc2)no1,ZJSBUMFNEAUGSZ,ZJSBUMFNEAUGSZ-UHFFFAOYSA-N,"InChI=1S/C23H21N5O4/c1-14-18(21(27-31-14)15-5-3-2-4-6-15)13-30-19-10-9-17(11-24-19)23(29)25-12-20-26-22(28-32-20)16-7-8-16/h2-6,9-11,16H,7-8,12-13H2,1H3,(H,25,29)","""AuxInfo=1/1/N:1,28,27,29,26,30,18,19,8,7,22,13,4,2,25,17,9,3,6,14,24,16,10,23,12,15,31,20,11,5,32,21/E:(3,4)(5,6)(7,8)/rA:32CCCCOCCCCCONCCNCCCCNOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;s16;s17;s17s18;d16;s14s20;s9;s6d22;s3;s24;d25;s26;d27;s28;s25d29;d24;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.880,7.88,0.0,0.0,1.0,7.88,0.0
-ZJTWQEUWGZKMKV_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3959189,Cn1cnc(S(=O)(=O)N2CCCC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c1,ZJTWQEUWGZKMKV,ZJTWQEUWGZKMKV-UHFFFAOYSA-N,"InChI=1S/C21H30N6O3S/c1-21(2,3)13-27-17-9-8-16(23-19(17)25(5)20(27)28)15-7-6-10-26(11-15)31(29,30)18-12-24(4)14-22-18/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3","""AuxInfo=1/0/N:27,28,29,1,21,11,12,15,16,10,30,31,25,3,13,14,17,5,18,22,26,4,19,2,20,9,24,23,7,8,6/E:(1,2,3)(29,30)/CRV:31.6/rA:31CNCNCSOONCCCCCCCCCNNCCONCCCCCCC/rB:s1;s2;d3;s4;s5;d6;d6;s6;s9;s10;s11;s12;s13;d14;s15;d16;s17;s14d18;s18;s20;s20;d22;s17s22;s24;s25;s26;s26;s26;s9s13;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  6.020,6.02,0.0,0.0,1.0,6.02,0.0
-ZJXFJHDVMUUPDS_on_Q13255_WT,High,ChEMBL30,CHEMBL3786060,Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3)cc2)occ1,ZJXFJHDVMUUPDS,ZJXFJHDVMUUPDS-UHFFFAOYSA-N,"InChI=1S/C20H17ClN2O2/c1-13-8-9-25-19(13)20(24)22-16-6-7-18(17(21)10-16)23-11-14-4-2-3-5-15(14)12-23/h2-10H,11-12H2,1H3,(H,22,24)","""AuxInfo=1/1/N:1,17,18,16,19,22,21,25,24,8,20,13,2,15,14,7,9,11,3,4,10,6,12,5,23/E:(2,3)(4,5)(11,12)(14,15)/rA:25CCCCONCCCClCNCCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;d14;s15;d16;s17;s14d18;s12s15;s11;s7d21;s3;s23;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3789901,PMID:26988302,2016.0,PMID:26988302,2016,0,1,0,0,0,,=,  5.750;  5.750,5.75,0.0,0.0,2.0,5.75,0.0
-ZKBYMWFMQLKNTC_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,71580122;CHEMBL2349553,Cc1ccnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)c1,ZKBYMWFMQLKNTC,ZKBYMWFMQLKNTC-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-11-8-9-20-15(10-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24)","""AuxInfo=1/1/N:1,23,13,16,21,17,20,3,4,24,2,22,15,18,6,10,14,8,19,5,7,11,12,9/E:(4,5)(6,7)/rA:24CCCCNCNCOCNNCCCCCCFCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;s12;s12;s14;d15;s16;d17;s18;s18;s15d20;s10d14;s22;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:738966;CHEMBL2350953,PMID:23434029,2013.0,PubChemAID:738966;PMID:23434029,2013,0;1,0,0,0,1;0,,=,  7.085;  7.080,7.082000000000001,0.002,0.002,2.0,7.082000000000001,0.002
-ZKDCPFIORUSWFM_on_P18507_WT,Low,ChEMBL30,CHEMBL1271046,CC(C)(C)OC(=O)c1ncc2c(c1)c1c(ccc(I)c1)n2C(=O)OC(C)(C)C,ZKDCPFIORUSWFM,ZKDCPFIORUSWFM-UHFFFAOYSA-N,"InChI=1S/C21H23IN2O4/c1-20(2,3)27-18(25)15-10-14-13-9-12(22)7-8-16(13)24(17(14)11-23-15)19(26)28-21(4,5)6/h7-11H,1-6H3","""AuxInfo=1/0/N:1,3,4,26,27,28,17,16,20,13,10,18,14,12,8,15,11,6,22,2,25,19,9,21,7,23,5,24/E:(1,2,3)(4,5,6)/rA:28CCCCOCOCNCCCCCCCCCICNCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s12;d14;s15;d16;s17;s18;s14d18;s11s15;s21;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-ZKDCPFIORUSWFM_on_P28472_WT,Low,ChEMBL30,CHEMBL1271046,CC(C)(C)OC(=O)c1ncc2c(c1)c1c(ccc(I)c1)n2C(=O)OC(C)(C)C,ZKDCPFIORUSWFM,ZKDCPFIORUSWFM-UHFFFAOYSA-N,"InChI=1S/C21H23IN2O4/c1-20(2,3)27-18(25)15-10-14-13-9-12(22)7-8-16(13)24(17(14)11-23-15)19(26)28-21(4,5)6/h7-11H,1-6H3","""AuxInfo=1/0/N:1,3,4,26,27,28,17,16,20,13,10,18,14,12,8,15,11,6,22,2,25,19,9,21,7,23,5,24/E:(1,2,3)(4,5,6)/rA:28CCCCOCOCNCCCCCCCCCICNCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s12;d14;s15;d16;s17;s18;s14d18;s11s15;s21;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-ZKDCPFIORUSWFM_on_P31644_WT,Low,ChEMBL30,CHEMBL1271046,CC(C)(C)OC(=O)c1ncc2c(c1)c1c(ccc(I)c1)n2C(=O)OC(C)(C)C,ZKDCPFIORUSWFM,ZKDCPFIORUSWFM-UHFFFAOYSA-N,"InChI=1S/C21H23IN2O4/c1-20(2,3)27-18(25)15-10-14-13-9-12(22)7-8-16(13)24(17(14)11-23-15)19(26)28-21(4,5)6/h7-11H,1-6H3","""AuxInfo=1/0/N:1,3,4,26,27,28,17,16,20,13,10,18,14,12,8,15,11,6,22,2,25,19,9,21,7,23,5,24/E:(1,2,3)(4,5,6)/rA:28CCCCOCOCNCCCCCCCCCICNCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;s8d12;s12;d14;s15;d16;s17;s18;s14d18;s11s15;s21;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.730,5.73,0.0,0.0,1.0,5.73,0.0
-ZKHAJHXLQJFKPD_on_P41594_WT,High,ChEMBL30,CHEMBL3702376,Cc1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)o1,ZKHAJHXLQJFKPD,ZKHAJHXLQJFKPD-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-15-5-6-21(28-15)18-13-20-16-3-2-4-19(24-9-11-27-12-10-24)17(16)7-8-25(20)22(26)14-23-18/h2-6,13H,7-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,3,4,13,12,21,25,22,24,27,8,2,15,14,6,19,26,5,9,7,20,11,10,23,28/E:(9,10)(11,12)/rA:28CCCCCCNCCONCCCCCCCCNCCOCCCCO/rB:s1;d2;s3;d4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.660,7.66,0.0,0.0,1.0,7.66,0.0
-ZKHAJHXLQJFKPD_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702376,Cc1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)o1,ZKHAJHXLQJFKPD,ZKHAJHXLQJFKPD-UHFFFAOYSA-N,"InChI=1S/C22H23N3O3/c1-15-5-6-21(28-15)18-13-20-16-3-2-4-19(24-9-11-27-12-10-24)17(16)7-8-25(20)22(26)14-23-18/h2-6,13H,7-12,14H2,1H3","""AuxInfo=1/0/N:1,17,16,18,3,4,13,12,21,25,22,24,27,8,2,15,14,6,19,26,5,9,7,20,11,10,23,28/E:(9,10)(11,12)/rA:28CCCCCCNCCONCCCCCCCCNCCOCCCCO/rB:s1;d2;s3;d4;s5;w?6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;s14d18;s19;s20;s21;s22;s23;s20s24;s11s15;s6w?26;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHRMISQUXJBEH_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3937514,CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOCCn23)ccc1CC,ZKHRMISQUXJBEH,ZKHRMISQUXJBEH-UHFFFAOYSA-N,"InChI=1S/C23H27N3O2/c1-4-17-6-7-19(15-21(17)28-5-2)23-25-22(18-8-10-24-16(3)14-18)20-9-12-27-13-11-26(20)23/h6-8,10,14-15H,4-5,9,11-13H2,1-3H3","""AuxInfo=1/0/N:28,1,15,27,2,25,24,11,18,12,22,19,21,16,5,14,26,10,6,17,4,9,7,13,8,23,20,3/rA:28CCOCCCCNCCCCNCCCCCCOCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s10d14;d9;s17;s18;s19;s20;s21;s7s17s22;d6;s24;s4d25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-ZKHUZIGQNHJVGZ_on_O00591_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_O14764_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P14867_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P18505_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P18507_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P28472_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P31644_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P34903_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P47869_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P47870_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P48169_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_P78334_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKHUZIGQNHJVGZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL28902,Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1,ZKHUZIGQNHJVGZ,ZKHUZIGQNHJVGZ-UHFFFAOYSA-N,"InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3","""AuxInfo=1/0/N:1,34,33,35,20,26,31,27,21,32,12,37,13,36,6,7,18,30,9,16,2,19,17,25,28,22,11,14,24,4,5,29,8,3,23,10,15/E:(11,12)(13,14)/rA:37CCNCCCCNCNCCCCOCCCCCCCNCCCCCClCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s2s5;s10;d11;s12;d13;s14;s15;s16;d17;s18;s19;w?20;s21;d22;s23;d24;s25;d26;s27;s28;s24d28;s25;s22d31;d19;s33;s17d34;s14;s11d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL681821,DOI:10.1016/0960-894X(95)00227-K,1995.0,DOI:10.1016/0960-894X(95)00227-K,1995,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZKLWVDUGOUOSQY_on_P14867_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.210;  7.210,7.21,0.0,0.0,2.0,7.21,0.0
-ZKLWVDUGOUOSQY_on_P18507_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL681641;CHEMBL685339;CHEMBL682253;CHEMBL685340;CHEMBL681090;CHEMBL683015;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985,2003;2003;2003;2003;2002;2002;2002;2002,0,0,0,1,0,,=,  7.360;  7.210;  8.660;  7.330;  8.660;  7.330;  7.360;  7.210,7.64,0.5920000000000001,0.22399999999999998,8.0,7.345,0.075
-ZKLWVDUGOUOSQY_on_P28472_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681090;CHEMBL683015;CHEMBL680293;CHEMBL685340;CHEMBL681641;CHEMBL682253;CHEMBL681405;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.330;  7.360;  7.210;  8.660;  7.210;  7.330;  7.360;  8.660,7.64,0.5920000000000001,0.22399999999999998,8.0,7.345,0.075
-ZKLWVDUGOUOSQY_on_P31644_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.660;  8.660,8.66,0.0,0.0,2.0,8.66,0.0
-ZKLWVDUGOUOSQY_on_P34903_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681090;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.330;  7.330,7.33,0.0,0.0,2.0,7.33,0.0
-ZKLWVDUGOUOSQY_on_P47869_WT,Low,ChEMBL30,CHEMBL277504,CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1,ZKLWVDUGOUOSQY,ZKLWVDUGOUOSQY-UHFFFAOYSA-N,"InChI=1S/C14H15NOS3/c1-14(2)6-8-10(9(16)7-14)13(17-3)19-11(8)12-15-4-5-18-12/h4-5H,6-7H2,1-3H3","""AuxInfo=1/0/N:9,10,1,16,17,11,7,12,5,4,13,14,3,8,15,6,2,18,19/E:(1,2)/rA:19CSCCCOCCCCCCCCNCCSS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s14s17;s3s13;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405;CHEMBL683015,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.360;  7.360,7.36,0.0,0.0,2.0,7.36,0.0
-ZKSKAADKXARYJR_on_O15399_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_O60391_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_Q05586_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_Q12879_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_Q13224_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKSKAADKXARYJR_on_Q14957_WT,Low,ChEMBL30,CHEMBL1179952,COc1cc(OC)c(C=NN=C(N)N)cc1,ZKSKAADKXARYJR,ZKSKAADKXARYJR-UHFFFAOYSA-N,"InChI=1S/C10H14N4O2/c1-15-8-4-3-7(9(5-8)16-2)6-13-14-10(11)12/h3-6H,1-2H3,(H4,11,12,14)","""AuxInfo=1/1/N:1,7,15,16,4,9,8,3,5,12,13,14,10,11,2,6/E:(11,12)/rA:16COCCCOCCCNNCNNCC/rB:s1;s2;d3;s4;s5;s6;d5;s8;w?9;s10;w?11;s12;s12;s8;s3d15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL2352644,PMID:23465801,2013.0,PMID:23465801,2013,1,0,0,0,0,,=,  4.540,4.54,0.0,0.0,1.0,4.54,0.0
-ZKZXTORBDBMWLL_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361633;11691221,CC1(c2ccccc2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2,ZKZXTORBDBMWLL,ZKZXTORBDBMWLL-UHFFFAOYSA-N,"InChI=1S/C24H18Cl2N4O2/c1-24(17-5-3-2-4-6-17)12-16-11-18(20(25)21(26)19(16)22(24)31)32-13-14-7-9-15(10-8-14)23-27-29-30-28-23/h2-11H,12-13H2,1H3,(H,27,28,29,30)","""AuxInfo=1/1/N:1,6,5,7,4,8,22,31,23,30,32,9,20,21,24,10,3,18,11,16,14,12,25,2,17,15,26,29,27,28,13,19/E:(3,4)(5,6)(7,8)(9,10)(27,28)(29,30)/rA:32CCCCCCCCCCCCOCClCClCOCCCCCCNNNNCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s2;s9;d10;s2s11;d12;s11;s14;d14;s16;s16;s18;s19;s20;d21;s22;d23;s24;d25;s26;s27;s25d28;s24;s21d30;s10d18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258;PubChemAID:240048,PMID:15745798,2005.0,PMID:15745798;PubChemAID:240048,2005;2010,0,1;0,0,0,0;1,,=,  6.200;  6.201,6.2,0.0,0.0,2.0,6.2,0.0
-ZLAIPCWKCFQTCK_on_Q14833_WT,High,ChEMBL30,CHEMBL4090015,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OC1CCN(c3ccncn3)C1)cc2,ZLAIPCWKCFQTCK,ZLAIPCWKCFQTCK-UHFFFAOYSA-N,"InChI=1S/C24H19N5O3S/c30-28-19-10-22(20-11-23-15(12-26-20)5-8-33-23)32-21-2-1-16(9-18(19)21)31-17-4-7-29(13-17)24-3-6-25-14-27-24/h1-3,5-6,8-12,14,17,30H,4,7,13H2","""AuxInfo=1/0/N:32,33,26,22,10,27,23,11,18,4,14,8,31,29,9,19,21,17,3,6,16,5,13,25,28,7,30,2,24,1,20,15,12/rA:33ONCCCCNCCCCSCCOCCCCOCCCNCCCNCNCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s21s24;s19;s16d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.770,7.77,0.0,0.0,1.0,7.77,0.0
-ZLCQADOULSPYGD_on_O00591_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_O14764_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P14867_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P18505_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P18507_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P28472_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P31644_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P34903_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P47869_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P47870_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P48169_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_P78334_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_Q16445_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLCQADOULSPYGD_on_Q99928_WT,Low,ChEMBL30,CHEMBL302056,Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2,ZLCQADOULSPYGD,ZLCQADOULSPYGD-UHFFFAOYSA-N,"InChI=1S/C17H10ClN3/c18-10-5-3-7-12-15(10)16-17(21-12)14-9-4-1-2-6-11(9)20-13(14)8-19-16/h1-8,20-21H","""AuxInfo=1/0/N:19,18,6,20,7,17,5,12,15,2,16,4,13,14,3,10,9,1,11,21,8/rA:21ClCCCCCCNCCNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s2d6;s4;s8;s3d9;s10;d11;s12;s9d13;s14;d15;s16;d17;s18;s15d19;s13s16;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.150,6.15,0.0,0.0,1.0,6.15,0.0
-ZLEPKOXIBITAFZ_on_Q13255_WT,High,ChEMBL30,CHEMBL3634422,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O,ZLEPKOXIBITAFZ,ZLEPKOXIBITAFZ-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-14-7-8-17(13(2)11-14)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:10,1,23,24,22,25,14,15,11,12,3,9,2,4,21,20,16,8,6,26,18,5,17,7,27,19,13/E:(3,4)(5,6)(15,16)(20,21)(25,26)/rA:27CCCCNCOCCCCCOCCCNCOCCCCCCCO/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17s21;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3635102,PMID:26476971,2015.0,PMID:26476971,2015,0;1,1;0,0,0,0,,=,  7.050;  7.050,7.05,0.0,0.0,2.0,7.05,0.0
-ZLEPKOXIBITAFZ_on_Q14833_WT,High,ChEMBL30,CHEMBL3634422,Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O,ZLEPKOXIBITAFZ,ZLEPKOXIBITAFZ-UHFFFAOYSA-N,"InChI=1S/C21H16N2O4/c1-12-9-10-27-18(12)19(24)22-14-7-8-17(13(2)11-14)23-20(25)15-5-3-4-6-16(15)21(23)26/h3-11H,1-2H3,(H,22,24)","""AuxInfo=1/1/N:10,1,23,24,22,25,14,15,11,12,3,9,2,4,21,20,16,8,6,26,18,5,17,7,27,19,13/E:(3,4)(5,6)(15,16)(20,21)(25,26)/rA:27CCCCNCOCCCCCOCCCNCOCCCCCCCO/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s9;d11;s8s12;d4;s14;s2d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s17s21;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3635104,PMID:26476971,2015.0,PMID:26476971,2015,0,1,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-ZLFKJACVTUOGRN_on_P31644_WT,High,ChEMBL30,CHEMBL3639803,Cc1c(COc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)c(-c2ccccc2)no1,ZLFKJACVTUOGRN,ZLFKJACVTUOGRN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O5S/c1-14-18(20(24-29-14)15-5-3-2-4-6-15)12-28-19-8-7-16(11-22-19)21(25)23-17-9-10-30(26,27)13-17/h2-8,11,17H,9-10,12-13H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,26,25,27,24,28,8,7,14,15,20,4,19,2,23,9,13,3,6,22,10,21,12,29,11,17,18,5,30,16/E:(3,4)(5,6)(26,27)/CRV:30.6/rA:30CCCCOCCCCCONCCCSOOCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;d16;d16;s13s16;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.350,8.35,0.0,0.0,1.0,8.35,0.0
-ZLGFFRIXNTZQBM_on_P41594_WT,Medium,ChEMBL30,CHEMBL59686,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)c(Cl)cc2)C1,ZLGFFRIXNTZQBM,ZLGFFRIXNTZQBM-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-7(3-9(8)15)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:20,19,14,6,12,21,13,17,15,7,8,3,2,18,16,1,11,9,10,4,5/E:(18,19)(20,21)/rA:21NCCOOCCCOONCCCCClCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL715725,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,=,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZLGFFRIXNTZQBM_on_Q13255_WT,Low,ChEMBL30,CHEMBL59686,NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)c(Cl)cc2)C1,ZLGFFRIXNTZQBM,ZLGFFRIXNTZQBM-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O4/c14-8-2-1-7(3-9(8)15)5-17-6-13(16,12(20)21)4-10(17)11(18)19/h1-3,10H,4-6,16H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:20,19,14,6,12,21,13,17,15,7,8,3,2,18,16,1,11,9,10,4,5/E:(18,19)(20,21)/rA:21NCCOOCCCOONCCCCClCClCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s8;s7;s11;s12;d13;s14;s15;d15;s17;s17;s13d19;s2s11;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL874171,PMID:9873471,1998.0,PMID:9873471,1998,1,0,0,0,0,,<,  3.523,3.523,0.0,0.0,1.0,3.523,0.0
-ZLGWVGNNHFSKSO_on_Q14416_WT,High,ChEMBL30,CHEMBL180871,CCCC1Cc2c(C1=O)c(C)c(C)c(OCc1cc(CSc3ccncc3)ccc1)c2,ZLGWVGNNHFSKSO,ZLGWVGNNHFSKSO-UHFFFAOYSA-N,"InChI=1S/C27H29NO2S/c1-4-6-22-14-23-15-25(18(2)19(3)26(23)27(22)29)30-16-20-7-5-8-21(13-20)17-31-24-9-11-28-12-10-24/h5,7-13,15,22H,4,6,14,16-17H2,1-3H3","""AuxInfo=1/0/N:1,13,11,2,29,3,30,28,23,27,24,26,18,5,31,16,20,12,10,17,19,4,6,22,14,7,8,25,9,15,21/E:(9,10)(11,12)/rA:31CCCCCCCCOCCCCCOCCCCCSCCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s4s7;d8;s7;s10;d10;s12;s12;s14;s15;s16;d17;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;d19;s28;s17d29;s6d14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL840258,PMID:15745798,2005.0,PMID:15745798,2005,0,1,0,0,0,,=,  6.540,6.54,0.0,0.0,1.0,6.54,0.0
-ZLHFILGSQDJULK_on_P14867_WT,High,ChEMBL30,CHEMBL483158,COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(ccc(Cl)c4)-c3n2)ccc1C(=O)O,ZLHFILGSQDJULK,ZLHFILGSQDJULK-UHFFFAOYSA-N,"InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)","""AuxInfo=1/1/N:22,1,18,17,19,26,32,25,33,29,4,11,9,10,27,5,24,34,23,15,20,3,14,30,13,35,7,28,16,12,8,6,31,36,37,21,2/E:(34,35)/rA:37COCCCNCNCCCNCCCFCCCCOCCCCCCClCCNCCCCOO/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;w?12;s13;d14;s15;s15;d17;s18;s14d19;s20;s21;s13;d23;s24;d25;s26;s27;s23d27;s10s24;s7d30;d5;s32;s3d33;s34;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3586973,PMID:26101564,2015.0,PMID:26101564,2015,1,0,0,0,0,,=,  6.310,6.31,0.0,0.0,1.0,6.31,0.0
-ZLIJLEWZZAOXBM_on_Q05586_WT,Medium,ChEMBL30,CHEMBL167952,CC(NCc1c2nc(O)c(O)nc2cc(Cl)c1)P(=O)(O)O,ZLIJLEWZZAOXBM,ZLIJLEWZZAOXBM-UHFFFAOYSA-N,"InChI=1S/C11H13ClN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)","""AuxInfo=1/1/N:1,17,14,4,2,5,15,13,6,10,8,16,3,12,7,11,9,19,20,21,18/E:(18,19,20)/rA:21CCNCCCNCOCONCCCClCPOOO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s8;s10;d10;s6s12;d13;s14;s15;s5d15;s2;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL880848,PMID:10636248,2000.0,PMID:10636248,2000,1,0,0,0,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZLJPTHIRPRJHFG_on_O15399_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.920,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_O60391_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.920,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.920,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_Q05586_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.920,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_Q12879_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.920;  6.820,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_Q13224_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.820;  6.920,6.87,0.05,0.05,2.0,6.87,0.05
-ZLJPTHIRPRJHFG_on_Q14957_WT,Low,ChEMBL30,CHEMBL133532,CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C,ZLJPTHIRPRJHFG,ZLJPTHIRPRJHFG-UHFFFAOYSA-N,"InChI=1S/C20H29NO/c1-14(2)22-16-8-7-15-12-19-17-6-4-5-9-20(17,18(15)13-16)10-11-21(19)3/h7-8,13-14,17,19H,4-6,9-12H2,1-3H3","""AuxInfo=1/0/N:1,3,22,15,16,14,9,10,17,19,20,11,6,2,8,5,13,7,12,18,21,4/E:(1,2)/rA:22CCCOCCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;s8;s5d9;s8;s11;s12;s13;s14;s15;s16;s7s13s17;s18;s19;s12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.920;  6.820,6.87,0.05,0.05,2.0,6.87,0.05
-ZLKKUEAUAXFRAV_on_Q13255_WT,Low,ChEMBL30,CHEMBL334160,CC1C(C(=O)O)C1C(N)C(=O)O,ZLKKUEAUAXFRAV,ZLKKUEAUAXFRAV-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,7,3,8,4,10,9,5,6,11,12/E:(9,10)(11,12)/rA:12CCCCOOCCNCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;d10;s10;/rC:;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1252028,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZLKKUEAUAXFRAV_on_Q14416_WT,Low,ChEMBL30,CHEMBL334160,CC1C(C(=O)O)C1C(N)C(=O)O,ZLKKUEAUAXFRAV,ZLKKUEAUAXFRAV-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,7,3,8,4,10,9,5,6,11,12/E:(9,10)(11,12)/rA:12CCCCOOCCNCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;d10;s10;/rC:;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1252112,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-ZLKKUEAUAXFRAV_on_Q14833_WT,Low,ChEMBL30,CHEMBL334160,CC1C(C(=O)O)C1C(N)C(=O)O,ZLKKUEAUAXFRAV,ZLKKUEAUAXFRAV-UHFFFAOYSA-N,"InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)","""AuxInfo=1/1/N:1,2,7,3,8,4,10,9,5,6,11,12/E:(9,10)(11,12)/rA:12CCCCOOCCNCOO/rB:s1;s2;s3;d4;s4;s2s3;s7;s8;s8;d10;s10;/rC:;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1252114,PMID:20638290,2010.0,PMID:20638290,2010,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZLLVGXOCXYGTFK_on_Q14416_WT,Medium,ChEMBL30,CHEMBL2112581,NC(CCc1cscc1)(C(=O)O)C1CC1C(=O)O,ZLLVGXOCXYGTFK,ZLLVGXOCXYGTFK-UHFFFAOYSA-N,"InChI=1S/C12H15NO4S/c13-12(11(16)17,9-5-8(9)10(14)15)3-1-7-2-4-18-6-7/h2,4,6,8-9H,1,3,5,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:4,9,3,8,14,6,5,15,13,16,10,2,1,17,18,11,12,7/E:(14,15)(16,17)/rA:18NCCCCCSCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL717361,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZLLVGXOCXYGTFK_on_Q14832_WT,Medium,ChEMBL30,CHEMBL2112581,NC(CCc1cscc1)(C(=O)O)C1CC1C(=O)O,ZLLVGXOCXYGTFK,ZLLVGXOCXYGTFK-UHFFFAOYSA-N,"InChI=1S/C12H15NO4S/c13-12(11(16)17,9-5-8(9)10(14)15)3-1-7-2-4-18-6-7/h2,4,6,8-9H,1,3,5,13H2,(H,14,15)(H,16,17)","""AuxInfo=1/1/N:4,9,3,8,14,6,5,15,13,16,10,2,1,17,18,11,12,7/E:(14,15)(16,17)/rA:18NCCCCCSCCCOOCCCCOO/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s2;d10;s10;s2;s13;s13s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL718352,PMID:9464366,1998.0,PMID:9464366,1998,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZLLYNADCJVLIKL_on_P41594_WT,High,ChEMBL30,CHEMBL3644423,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)co1,ZLLYNADCJVLIKL,ZLLYNADCJVLIKL-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c1-14-26-20(12-30-14)17-3-2-4-18-16(17)7-8-28-21(18)9-22(24-10-23(28)29)27-11-19(25-13-27)15-5-6-15/h2-4,9,11-13,15H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,6,8,24,25,11,12,27,16,26,29,20,2,23,10,5,9,22,4,28,18,14,17,21,3,19,13,15,30/E:(5,6)/rA:30CCNCCCCCCCCCNCOCNCNCNCCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;d4;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.750,7.75,0.0,0.0,1.0,7.75,0.0
-ZLLYNADCJVLIKL_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3644423,Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)co1,ZLLYNADCJVLIKL,ZLLYNADCJVLIKL-UHFFFAOYSA-N,"InChI=1S/C23H21N5O2/c1-14-26-20(12-30-14)17-3-2-4-18-16(17)7-8-28-21(18)9-22(24-10-23(28)29)27-11-19(25-13-27)15-5-6-15/h2-4,9,11-13,15H,5-8,10H2,1H3","""AuxInfo=1/0/N:1,7,6,8,24,25,11,12,27,16,26,29,20,2,23,10,5,9,22,4,28,18,14,17,21,3,19,13,15,30/E:(5,6)/rA:30CCNCCCCCCCCCNCOCNCNCNCCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;d14;s14;s16;w?17;s18;s19;d20;s21;s22;s23;s23s24;s19d22;s18;s9s13w?27;d4;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-ZLMXJIGMRPRGMM_on_P14867_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.800,6.8,0.0,0.0,1.0,6.8,0.0
-ZLMXJIGMRPRGMM_on_P18507_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL678741;CHEMBL676826;CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.720;  7.280;  6.800;  6.920,7.18,0.358,0.207,4.0,7.1,0.24
-ZLMXJIGMRPRGMM_on_P28472_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678741;CHEMBL681841;CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.280;  6.920;  7.720;  6.800,7.18,0.358,0.207,4.0,7.1,0.24
-ZLMXJIGMRPRGMM_on_P31644_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.720,7.72,0.0,0.0,1.0,7.72,0.0
-ZLMXJIGMRPRGMM_on_P34903_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZLMXJIGMRPRGMM_on_P47869_WT,Low,ChEMBL30,CHEMBL441978,CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12,ZLMXJIGMRPRGMM,ZLMXJIGMRPRGMM-UHFFFAOYSA-N,"InChI=1S/C18H17N5O/c1-2-7-16-20-21-17-14-9-3-4-10-15(14)18(22-23(16)17)24-12-13-8-5-6-11-19-13/h3-6,8-11H,2,7,12H2,1H3","""AuxInfo=1/0/N:1,2,12,11,21,20,3,22,13,10,19,16,17,8,9,4,7,14,18,5,6,23,24,15/rA:24CCCCNNCCCCCCCCOCCNCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s8d12;s9;s14;s15;s16;d17;s18;d19;s20;s17d21;d14;s4s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.920,6.92,0.0,0.0,1.0,6.92,0.0
-ZLRQIAUBXZZDPH_on_Q14833_WT,High,ChEMBL30,CHEMBL3808486,Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C,ZLRQIAUBXZZDPH,ZLRQIAUBXZZDPH-UHFFFAOYSA-N,"InChI=1S/C17H16N4O3S/c1-12-6-7-15(9-13(12)2)25(23,24)21-11-14(10-19-21)20-17(22)16-5-3-4-8-18-16/h3-11H,1-2H3,(H,20,22)","""AuxInfo=1/1/N:1,25,17,18,16,3,4,19,23,21,10,2,24,11,5,15,13,20,22,12,9,14,7,8,6/E:(23,24)/CRV:25.6/rA:25CCCCCSOONCCNCOCCCCCNCNCCC/rB:s1;d2;s3;d4;s5;d6;d6;s6;s9;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s9d21;s5;s2d23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PATENT:US9180192B2,2015.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.830;  6.830,6.83,0.0,0.0,2.0,6.83,0.0
-ZLRSPZURKJYEMQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL1290270,CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(C(C)(C)C)cc2)OC1,ZLRSPZURKJYEMQ,ZLRSPZURKJYEMQ-UHFFFAOYSA-N,"InChI=1S/C36H47NO4/c1-34(2,3)29-12-14-30(15-13-29)36(40-25-35(4,5)26-41-36)19-9-20-37-21-18-28-22-31(16-17-32(28)33(38)23-37)39-24-27-10-7-6-8-11-27/h6-8,10-17,22,33,38H,9,18-21,23-26H2,1-5H3","""AuxInfo=1/0/N:35,36,37,1,3,23,22,24,8,21,25,32,38,31,39,16,15,12,7,9,11,26,29,19,4,41,20,13,33,30,17,14,27,34,2,6,10,28,18,5,40/E:(1,2,3)(4,5)(7,8)(10,11)(12,13)(14,15)(25,26)(40,41)/rA:41CCCCOCCCCNCCCCCCCOCCCCCCCCCOCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;s14;s27;s10s27;s6;d30;s31;d32;s33;s34;s34;s34;s33;s30d38;s6;s2s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZLRSPZURKJYEMQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL1290270,CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(C(C)(C)C)cc2)OC1,ZLRSPZURKJYEMQ,ZLRSPZURKJYEMQ-UHFFFAOYSA-N,"InChI=1S/C36H47NO4/c1-34(2,3)29-12-14-30(15-13-29)36(40-25-35(4,5)26-41-36)19-9-20-37-21-18-28-22-31(16-17-32(28)33(38)23-37)39-24-27-10-7-6-8-11-27/h6-8,10-17,22,33,38H,9,18-21,23-26H2,1-5H3","""AuxInfo=1/0/N:35,36,37,1,3,23,22,24,8,21,25,32,38,31,39,16,15,12,7,9,11,26,29,19,4,41,20,13,33,30,17,14,27,34,2,6,10,28,18,5,40/E:(1,2,3)(4,5)(7,8)(10,11)(12,13)(14,15)(25,26)(40,41)/rA:41CCCCOCCCCNCCCCCCCOCCCCCCCCCOCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s17;s18;s19;d20;s21;d22;s23;s20d24;s13d17;s14;s27;s10s27;s6;d30;s31;d32;s33;s34;s34;s34;s33;s30d38;s6;s2s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZLTZGADBISMZKB_on_P14867_WT,Low,ChEMBL30,CHEMBL379467,COc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,ZLTZGADBISMZKB,ZLTZGADBISMZKB-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O/c1-27-16-5-3-2-4-13(16)14-10-12(6-8-23-14)15-11-24-18-25-17(19(20,21)22)7-9-26(15)18/h2-11H,1H3","""AuxInfo=1/0/N:1,6,5,7,4,12,24,11,25,27,15,13,8,9,14,3,19,17,20,21,22,23,10,16,18,26,2/E:(20,21,22)/rA:27COCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.240,8.24,0.0,0.0,1.0,8.24,0.0
-ZLTZGADBISMZKB_on_P18507_WT,Low,ChEMBL30,CHEMBL379467,COc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,ZLTZGADBISMZKB,ZLTZGADBISMZKB-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O/c1-27-16-5-3-2-4-13(16)14-10-12(6-8-23-14)15-11-24-18-25-17(19(20,21)22)7-9-26(15)18/h2-11H,1H3","""AuxInfo=1/0/N:1,6,5,7,4,12,24,11,25,27,15,13,8,9,14,3,19,17,20,21,22,23,10,16,18,26,2/E:(20,21,22)/rA:27COCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL861281;CHEMBL861280,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.210;  8.240,8.225,0.015,0.015,2.0,8.225,0.015
-ZLTZGADBISMZKB_on_P28472_WT,Low,ChEMBL30,CHEMBL379467,COc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,ZLTZGADBISMZKB,ZLTZGADBISMZKB-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O/c1-27-16-5-3-2-4-13(16)14-10-12(6-8-23-14)15-11-24-18-25-17(19(20,21)22)7-9-26(15)18/h2-11H,1H3","""AuxInfo=1/0/N:1,6,5,7,4,12,24,11,25,27,15,13,8,9,14,3,19,17,20,21,22,23,10,16,18,26,2/E:(20,21,22)/rA:27COCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL861280;CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.240;  8.210,8.225,0.015,0.015,2.0,8.225,0.015
-ZLTZGADBISMZKB_on_P34903_WT,Low,ChEMBL30,CHEMBL379467,COc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1,ZLTZGADBISMZKB,ZLTZGADBISMZKB-UHFFFAOYSA-N,"InChI=1S/C19H13F3N4O/c1-27-16-5-3-2-4-13(16)14-10-12(6-8-23-14)15-11-24-18-25-17(19(20,21)22)7-9-26(15)18/h2-11H,1H3","""AuxInfo=1/0/N:1,6,5,7,4,12,24,11,25,27,15,13,8,9,14,3,19,17,20,21,22,23,10,16,18,26,2/E:(20,21,22)/rA:27COCCCCCCCNCCCCCNCNCCFFFCCNC/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;s20;s20;s20;s19;d24;s14s17s25;s9d13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL861281,PMID:16406613,2006.0,PMID:16406613,2006,0,0,0,1,0,,=,  8.210,8.21,0.0,0.0,1.0,8.21,0.0
-ZLXJBYSKCONUDP_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3940610,CN1c2c(ccc(C3=CC4CN(C(=O)C(C)(C)O)CC4C3)n2)N(CC2CC2(F)F)S1(=O)=O,ZLXJBYSKCONUDP,ZLXJBYSKCONUDP-UHFFFAOYSA-N,"InChI=1S/C21H26F2N4O4S/c1-20(2,29)19(28)26-9-13-6-12(7-14(13)10-26)16-4-5-17-18(24-16)25(3)32(30,31)27(17)11-15-8-21(15,22)23/h4-6,13-15,29H,7-11H2,1-3H3","""AuxInfo=1/0/N:16,17,1,6,5,9,21,26,11,19,24,8,10,20,25,7,4,3,13,15,27,28,29,22,2,12,23,14,18,31,32,30/E:(1,2)(22,23)(30,31)/CRV:32.6/rA:32CNCCCCCCCCCNCOCCCOCCCNNCCCCFFSOO/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;s11;s12;d13;s13;s15;s15;s15;s12;s10s19;s8s20;s3d7;s4;s23;s24;s25;s25s26;s27;s27;s2s23;d30;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888321;CHEMBL3888322,PATENT:US9315518B2,2016.0,PATENT:US9315518B2,2016,0,1,0,0,0,,=,  7.310;  7.050,7.18,0.13,0.13,2.0,7.18,0.13
-ZLXJULIGZNCSBW_on_P41594_WT,Medium,ChEMBL30,CHEMBL185701,c1ccc(Oc2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1,ZLXJULIGZNCSBW,ZLXJULIGZNCSBW-UHFFFAOYSA-N,InChI=1S/C24H17N5O/c1-2-11-20(12-3-1)30-23-15-5-4-13-21(23)18-9-8-10-19(17-18)29-27-24(26-28-29)22-14-6-7-16-25-22/h1-17H,"""AuxInfo=1/0/N:1,2,30,9,8,25,24,14,13,15,3,29,10,26,7,23,28,12,16,4,11,21,6,20,22,19,27,18,17,5/E:(2,3)(11,12)/rA:30CCCCOCCCCCCCCCCCNNNCCNCCCCNCCC/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s16;s17;d18;s19;s20;d21;s22;d23;s24;s21d25;s17d20;s12d16;s4;s1d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-ZMANDGZDANZFLH_on_O00591_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_O14764_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P14867_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P18505_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P18507_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P28472_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P31644_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P34903_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P47869_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P47870_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P48169_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_P78334_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.290;  5.280,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_Q16445_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMANDGZDANZFLH_on_Q99928_WT,Low,ChEMBL30,CHEMBL3322884,O=C(O)C1CN=CNC1,ZMANDGZDANZFLH,ZMANDGZDANZFLH-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c8-5(9)4-1-6-3-7-2-4/h3-4H,1-2H2,(H,6,7)(H,8,9)","""AuxInfo=1/1/N:5,9,7,4,2,6,8,1,3/E:(1,2)(6,7)(8,9)/rA:9OCOCCNCNC/rB:d1;s2;s2;s4;s5;w?6;s7;s4s8;/rC:;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL3370250,PMID:25038482,2014.0,PMID:25038482,2014,0,0,0,1,0,,=,  5.280;  5.290,5.285,0.005,0.005,2.0,5.285,0.005
-ZMAWUCGAPUTZLE_on_P41594_WT,High,ChEMBL30,CHEMBL3702366,COCCOc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,ZMAWUCGAPUTZLE,ZMAWUCGAPUTZLE-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-27-11-12-29-17-6-3-5-16(13-17)20-14-21-18-7-4-8-22(28-2)19(18)9-10-25(21)23(26)15-24-20/h3-8,13-14H,9-12,15H2,1-2H3","""AuxInfo=1/0/N:1,26,8,22,9,7,21,23,18,17,3,4,29,28,13,10,6,20,19,11,27,24,14,12,16,15,2,25,5/rA:29COCCOCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;w?11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;s25;s16s20;s11w?27;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.340,7.34,0.0,0.0,1.0,7.34,0.0
-ZMAWUCGAPUTZLE_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702366,COCCOc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1,ZMAWUCGAPUTZLE,ZMAWUCGAPUTZLE-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-27-11-12-29-17-6-3-5-16(13-17)20-14-21-18-7-4-8-22(28-2)19(18)9-10-25(21)23(26)15-24-20/h3-8,13-14H,9-12,15H2,1-2H3","""AuxInfo=1/0/N:1,26,8,22,9,7,21,23,18,17,3,4,29,28,13,10,6,20,19,11,27,24,14,12,16,15,2,25,5/rA:29COCCOCCCCCCNCCONCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;s10;w?11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;s22;s19d23;s24;s25;s16s20;s11w?27;s6d10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.890,5.89,0.0,0.0,1.0,5.89,0.0
-ZMAXDGACGSGTHV_on_Q14833_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL1223315;49865400,CN(c1c(Cl)cccc1)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1,ZMAXDGACGSGTHV,ZMAXDGACGSGTHV-UHFFFAOYSA-N,"InChI=1S/C17H14ClN3O3S2/c1-21(15-5-3-2-4-14(15)18)26(23,24)13-8-6-12(7-9-13)20-16(22)17-19-10-11-25-17/h2-11H,1H3,(H,20,22)","""AuxInfo=1/1/N:1,7,8,6,9,15,25,14,26,22,23,16,13,4,3,18,20,5,21,17,2,19,11,12,24,10/E:(6,7)(8,9)(23,24)/CRV:26.6/rA:26CNCCClCCCCSOOCCCCNCOCNCCSCC/rB:s1;s2;d3;s4;s4;d6;s7;s3d8;s2;d10;d10;s10;d13;s14;d15;s16;s17;d18;s18;d20;s21;d22;s20s23;s16;s13d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1228192;PubChemAID:501614,PMID:20667732,2010.0,PMID:20667732;PubChemAID:501614,2010;2011,0,1;0,0,0,0;1,,=,  6.160;  6.164,6.162000000000001,0.002,0.002,2.0,6.162000000000001,0.002
-ZMDJNRFXUKMNMO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3901059,CCN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,ZMDJNRFXUKMNMO,ZMDJNRFXUKMNMO-UHFFFAOYSA-N,"InChI=1S/C19H19FN4O/c1-4-24-18(25)23(13-19(24,2)3)17-21-11-15(12-22-17)6-5-14-7-9-16(20)10-8-14/h7-12H,4,13H2,1-3H3","""AuxInfo=1/0/N:1,24,25,2,12,11,14,19,15,18,9,20,22,13,10,16,7,4,23,17,8,21,6,3,5/E:(2,3)(7,8)(9,10)(11,12)(21,22)/rA:25CCNCONCNCCCCCCCCFCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;t11;s12;d13;s14;d15;s16;s16;s13d18;s10;s7d20;s6;s3s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.330,7.33,0.0,0.0,1.0,7.33,0.0
-ZMEHFZIVSGQPHV_on_Q14416_WT,High,ChEMBL30,CHEMBL1669395,CCCn1ccc2c(c(Cl)cc(-c3ccc(OC)cc3)c2)c1=O,ZMEHFZIVSGQPHV,ZMEHFZIVSGQPHV-UHFFFAOYSA-N,"InChI=1S/C19H18ClNO2/c1-3-9-21-10-8-14-11-15(12-17(20)18(14)19(21)22)13-4-6-16(23-2)7-5-13/h4-8,10-12H,3,9H2,1-2H3","""AuxInfo=1/0/N:1,18,2,14,20,15,19,6,3,5,21,11,13,7,12,16,9,8,22,10,4,23,17/E:(4,5)(6,7)/rA:23CCCNCCCCCClCCCCCCOCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;s9;d9;s11;s12;d13;s14;d15;s16;s17;s16;s13d19;s7d12;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1671545,PMID:21232953,2011.0,PMID:21232953,2011,0,1,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-ZMIGHZZVFSMXFB_on_Q14416_WT,High,ChEMBL30,CHEMBL3945882,CCCc1c(OCc2ccc(Oc3ncccc3-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O,ZMIGHZZVFSMXFB,ZMIGHZZVFSMXFB-UHFFFAOYSA-N,"InChI=1S/C24H23N5O4/c1-3-5-19-21(12-11-18(15(2)30)22(19)31)32-14-16-7-9-17(10-8-16)33-24-20(6-4-13-25-24)23-26-28-29-27-23/h4,6-13,31H,3,5,14H2,1-2H3,(H,26,27,28,29)","""AuxInfo=1/1/N:1,30,2,16,3,17,9,25,10,24,27,26,15,7,29,8,11,28,4,18,5,32,19,13,14,20,23,21,22,31,33,6,12/E:(7,8)(9,10)(26,27)(28,29)/rA:33CCCCCOCCCCCOCNCCCCCNNNNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s18;d19;s20;s21;s19d22;s11;s8d24;s5;d26;s27;s28;s29;d29;s4d28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3873874,PMID:27908761,2017.0,PMID:27908761,2017,0,1,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-ZMKDYQONTIIETL_on_O00591_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_O14764_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P14867_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P18505_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P18507_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P28472_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P31644_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P34903_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P47869_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P47870_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P48169_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_P78334_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_Q16445_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMKDYQONTIIETL_on_Q99928_WT,Low,ChEMBL30,CHEMBL145850,O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12,ZMKDYQONTIIETL,ZMKDYQONTIIETL-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)","""AuxInfo=1/1/N:10,20,9,19,11,21,8,18,4,15,5,22,14,6,17,12,2,7,16,3,13,1/rA:22OCNCCCFCCCCCOCCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;s6;d8;s9;s5d10;s2;d12;s12;d14;s15;s16;d17;s18;d19;s20;s14s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL858269,PMID:10602702,1999.0,PMID:10602702,1999,0,0,0,1,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZMUYYXBVNBIBEW_on_Q14416_WT,High,ChEMBL30,CHEMBL3918170,NC1(C(=O)O)C(OCc2c(Cl)c(Cl)ccc2)C(O)C2C(C(=O)O)C21,ZMUYYXBVNBIBEW,ZMUYYXBVNBIBEW-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-3-1-2-5(10(6)17)4-24-12-11(19)7-8(13(20)21)9(7)15(12,18)14(22)23/h1-3,7-9,11-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:15,16,14,8,9,12,19,20,24,10,17,6,21,3,2,13,11,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCClCClCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s10;s12;d12;s14;s9d15;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3869551,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  6.830,6.83,0.0,0.0,1.0,6.83,0.0
-ZMUYYXBVNBIBEW_on_Q14832_WT,High,ChEMBL30,CHEMBL3918170,NC1(C(=O)O)C(OCc2c(Cl)c(Cl)ccc2)C(O)C2C(C(=O)O)C21,ZMUYYXBVNBIBEW,ZMUYYXBVNBIBEW-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO6/c16-6-3-1-2-5(10(6)17)4-24-12-11(19)7-8(13(20)21)9(7)15(12,18)14(22)23/h1-3,7-9,11-12,19H,4,18H2,(H,20,21)(H,22,23)","""AuxInfo=1/1/N:15,16,14,8,9,12,19,20,24,10,17,6,21,3,2,13,11,1,18,22,23,4,5,7/E:(20,21)(22,23)/rA:24NCCOOCOCCCClCClCCCCOCCCOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;d9;s10;s10;s12;d12;s14;s9d15;s6;s17;s17;s19;s20;d21;s21;s2s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL3869550,PMID:27836401,2016.0,PMID:27836401,2016,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-ZMWXEBBZPLELSD_on_P41594_WT,High,ChEMBL30,CHEMBL3605291,O=C(c1c[nH]c2ccccc12)N1CCc2c(C1)oc(COc1ccccc1)n2,ZMWXEBBZPLELSD,ZMWXEBBZPLELSD-UHFFFAOYSA-N,"InChI=1S/C22H19N3O3/c26-22(17-12-23-18-9-5-4-8-16(17)18)25-11-10-19-20(13-25)28-21(24-19)14-27-15-6-2-1-3-7-15/h1-9,12,23H,10-11,13-14H2","""AuxInfo=1/0/N:25,24,26,9,8,23,27,10,7,14,13,4,17,20,22,11,3,6,15,16,19,2,5,28,12,1,21,18/E:(2,3)(6,7)/rA:28OCCCNCCCCCCNCCCCCOCCOCCCCCCN/rB:d1;s2;d3;s4;s5;d6;s7;d8;s9;s3s6d10;s2;s12;s13;s14;d15;s12s16;s16;s18;s19;s20;s21;d22;s23;d24;s25;s22d26;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3607056,PMID:26183084,2015.0,PMID:26183084,2015,0,1,0,0,0,,=,  6.630;  6.640,6.635,0.005,0.005,2.0,6.635,0.005
-ZMXDMQPSSRDDMZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL3985768,Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,ZMXDMQPSSRDDMZ,ZMXDMQPSSRDDMZ-UHFFFAOYSA-N,"InChI=1S/C16H10ClF3N6OS/c1-8-14(9-4-21-7-22-5-9)26-13(27)2-10(23-15(26)28-8)6-25-12(17)3-11(24-25)16(18,19)20/h2-5,7H,6H2,1H3","""AuxInfo=1/0/N:1,13,23,5,9,15,7,2,4,14,18,24,11,3,27,19,25,20,21,22,6,8,26,17,16,10,12,28/E:(4,5)(18,19,20)(21,22)/rA:28CCCCCNCNCNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-ZMXDMQPSSRDDMZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL3985768,Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1,ZMXDMQPSSRDDMZ,ZMXDMQPSSRDDMZ-UHFFFAOYSA-N,"InChI=1S/C16H10ClF3N6OS/c1-8-14(9-4-21-7-22-5-9)26-13(27)2-10(23-15(26)28-8)6-25-12(17)3-11(24-25)16(18,19)20/h2-5,7H,6H2,1H3","""AuxInfo=1/0/N:1,13,23,5,9,15,7,2,4,14,18,24,11,3,27,19,25,20,21,22,6,8,26,17,16,10,12,28/E:(4,5)(18,19,20)(21,22)/rA:28CCCCCNCNCNCOCCCNNCCFFFCCClNCS/rB:s1;d2;s3;d4;s5;d6;s7;s4d8;s3;s10;d11;s11;d13;s14;s15;s16;d17;s18;s19;s19;s19;s18;s16d23;s24;s14;s10d26;s2s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3871160,PMID:28105280,2017.0,PMID:28105280,2017,0,1,0,0,0,,=,  5.850,5.85,0.0,0.0,1.0,5.85,0.0
-ZMZBWNJJOIXGAL_on_Q05586_WT,Low,ChEMBL30,CHEMBL3585375,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,ZMZBWNJJOIXGAL,ZMZBWNJJOIXGAL-UHFFFAOYSA-N,"InChI=1S/C31H40N4/c1-22-8-10-28-24(18-22)26-20-34(16-12-30(26)32-28)14-6-4-3-5-7-15-35-17-13-31-27(21-35)25-19-23(2)9-11-29(25)33-31/h8-11,18-19,32-33H,3-7,12-17,20-21H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,7,29,6,28,35,22,13,19,34,21,3,32,11,25,2,30,4,26,10,24,5,27,9,23,8,33,12,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35CCCCCCCNCCCNCCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s20s24;s24;d26;s27;d28;s29;s30;s26d30;s23s27;s12;s9s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,DOI:10.1039/C4MD00069B,2014,1,0,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-ZMZBWNJJOIXGAL_on_Q12879_WT,Low,ChEMBL30,CHEMBL3585375,Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1,ZMZBWNJJOIXGAL,ZMZBWNJJOIXGAL-UHFFFAOYSA-N,"InChI=1S/C31H40N4/c1-22-8-10-28-24(18-22)26-20-34(16-12-30(26)32-28)14-6-4-3-5-7-15-35-17-13-31-27(21-35)25-19-23(2)9-11-29(25)33-31/h8-11,18-19,32-33H,3-7,12-17,20-21H2,1-2H3","""AuxInfo=1/0/N:1,31,16,15,17,14,18,7,29,6,28,35,22,13,19,34,21,3,32,11,25,2,30,4,26,10,24,5,27,9,23,8,33,12,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/rA:35CCCCCCCNCCCNCCCCCCCNCCCCCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s2d6;s5;s8;s4d9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s20s24;s24;d26;s27;d28;s29;s30;s26d30;s23s27;s12;s9s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3587612,DOI:10.1039/C4MD00069B,2014.0,DOI:10.1039/C4MD00069B,2014,1,0,0,0,0,,=,  4.900,4.9,0.0,0.0,1.0,4.9,0.0
-ZNJHGNQUJDUDEA_on_P41594_WT,High,ChEMBL30,CHEMBL3764943,O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1,ZNJHGNQUJDUDEA,ZNJHGNQUJDUDEA-UHFFFAOYSA-N,"InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)5-6-18(19)21(20)12-1-3-15(24)4-2-12/h1-11H","""AuxInfo=1/0/N:24,29,25,28,19,20,8,5,11,16,13,23,6,9,26,17,4,21,15,12,22,7,10,27,18,14,1,3,2/E:(1,2)(3,4)(8,9)(13,14)(22,23)(27,28)/CRV:29.6/rA:29OSOCCCClCCClCCCNCCCFCCCCCCCCFCC/rB:d1;d2;s2;d4;s5;s6;d6;s8;s9;s4d9;s2;d12;s13;d14;s15;d16;s17;s17;d19;s15s20;s12d21;s22;d23;s24;d25;s26;s26;s23d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL4008950,PMID:28212015,2017.0,PMID:28212015,2017,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZNMRPOZRYFCBEU_on_O15399_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.120,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_O60391_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.120;  5.290,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.120,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.120,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.120;  5.290,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.290;  4.120,4.705,0.585,0.585,2.0,4.705,0.585
-ZNMRPOZRYFCBEU_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180167,CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N,ZNMRPOZRYFCBEU,ZNMRPOZRYFCBEU-UHFFFAOYSA-N,"InChI=1S/C14H24N6/c1-3-19(13(15)16)9-11-6-5-7-12(8-11)10-20(4-2)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H3,15,16)(H3,17,18)","""AuxInfo=1/1/N:1,11,2,10,16,17,15,6,4,8,5,7,18,12,19,20,13,14,3,9/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16,17,18)(19,20)/gE:(1,2)/rA:20CCNCCCCCNCCCNNCCCCNN/rB:s1;s2;s3;s4;d5;s6;s7;s8;s9;s10;s9;d12;s12;d7;s15;s5d16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  4.120;  5.290,4.705,0.585,0.585,2.0,4.705,0.585
-ZNNQFFKFWSWODG_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606063,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZNNQFFKFWSWODG,ZNNQFFKFWSWODG-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,4,33,15,23,3,34,7,37,8,30,6,31,9,25,5,32,2,35,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s35;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.110;  6.400,6.255,0.145,0.145,2.0,6.255,0.145
-ZNNQFFKFWSWODG_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606063,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZNNQFFKFWSWODG,ZNNQFFKFWSWODG-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,4,33,15,23,3,34,7,37,8,30,6,31,9,25,5,32,2,35,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s35;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZNNQFFKFWSWODG_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606063,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZNNQFFKFWSWODG,ZNNQFFKFWSWODG-UHFFFAOYSA-N,"InChI=1S/C33H38N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2","""AuxInfo=1/0/N:1,36,19,18,20,17,21,12,28,11,27,16,22,13,29,10,26,4,33,15,23,3,34,7,37,8,30,6,31,9,25,5,32,2,35,14,24/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1,35+1/rA:37CN+CCCCCCCCCCCNCCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;s28;s25d29;s30;s24d31;s32;d33;s34;s35;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.110,6.11,0.0,0.0,1.0,6.11,0.0
-ZNQZXIHSJUDIKL_on_Q14416_WT,Medium,ChEMBL30,CHEMBL277961,NC1(C(=O)O)CCc2c1ccc(P(=O)(O)O)c2,ZNQZXIHSJUDIKL,ZNQZXIHSJUDIKL-UHFFFAOYSA-N,"InChI=1S/C10H12NO5P/c11-10(9(12)13)4-3-6-5-7(17(14,15)16)1-2-8(6)10/h1-2,5H,3-4,11H2,(H,12,13)(H2,14,15,16)","""AuxInfo=1/1/N:11,10,7,6,17,8,12,9,3,2,1,4,5,14,15,16,13/E:(12,13)(14,15,16)/rA:17NCCOOCCCCCCCPOOOC/rB:s1;s2;d3;s3;s2;s6;s7;s2d8;s9;d10;s11;s12;d13;s13;s13;s8d12;/rC:;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL718218,PMID:10893301,2000.0,PMID:10893301,2000,0,0,0,1,0,,=,  4.520,4.52,0.0,0.0,1.0,4.52,0.0
-ZNRYJFXFMBVHEQ_on_O00591_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_O14764_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P14867_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P18505_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P18507_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P28472_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P31644_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P34903_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P47869_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P47870_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P48169_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_P78334_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNRYJFXFMBVHEQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL299060,Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2,ZNRYJFXFMBVHEQ,ZNRYJFXFMBVHEQ-UHFFFAOYSA-N,"InChI=1S/C18H13N3/c1-21-14-9-5-3-7-12(14)16-15(21)10-19-17-11-6-2-4-8-13(11)20-18(16)17/h2-10,20H,1H3","""AuxInfo=1/0/N:1,19,6,20,7,18,5,21,8,11,17,4,16,3,10,9,13,14,12,15,2/rA:21CNCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s3d7;s4;s2d9;s10;d11;s12;s9d13;s14;s15;s13d16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  5.930,5.93,0.0,0.0,1.0,5.93,0.0
-ZNUAFMBRIADMMH_on_Q14416_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2152121;58081135,FC(F)(F)Cc1cnc2c(Cl)c(-c3cc4c([nH]cc4)c(Cl)c3)ccn12,ZNUAFMBRIADMMH,ZNUAFMBRIADMMH-UHFFFAOYSA-N,"InChI=1S/C17H10Cl2F3N3/c18-13-6-10(5-9-1-3-23-15(9)13)12-2-4-25-11(7-17(20,21)22)8-24-16(25)14(12)19/h1-6,8,23H,7H2","""AuxInfo=1/0/N:19,23,18,24,14,22,5,7,15,13,6,12,20,10,16,9,2,21,11,1,3,4,17,8,25/E:(20,21,22)/rA:25FCFFCCCNCCClCCCCCNCCCClCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;s9;s10;d10;s12;d13;s14;d15;s16;s17;s15d18;s16;s20;s13d20;s12;d23;s6s9s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244;PubChemAID:691032,PMID:22352782,2012.0,PMID:22352782;PubChemAID:691032,2012;2013,0,1;0,0,0,0;1,,=,  7.070;  7.071,7.071000000000001,0.0,0.0,2.0,7.071000000000001,0.0
-ZNZMLWPMMYKOOJ_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3952349,Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ccc(Cl)cn1,ZNZMLWPMMYKOOJ,ZNZMLWPMMYKOOJ-UHFFFAOYSA-N,"InChI=1S/C17H11ClFN5O/c18-10-3-6-15(21-9-10)25-14-5-4-11(8-12(14)19)22-17-16-13(23-24-17)2-1-7-20-16/h1-9H,(H2,22,23,24)","""AuxInfo=1/1/N:10,11,21,15,16,20,9,3,24,22,4,2,12,17,19,7,6,23,1,8,25,5,13,14,18/rA:25FCCCNCCNCCCCNNCCCOCCCCClCN/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s7s11;d12;s6s13;d4;s15;s2d16;s17;s18;d19;s20;d21;s22;s22;s19d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  6.820,6.82,0.0,0.0,1.0,6.82,0.0
-ZOBXUOKUYCCYHR_on_P14867_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678329,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ZOBXUOKUYCCYHR_on_P18507_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681480;CHEMBL682251;CHEMBL678329;CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.090;  6.570;  7.510;  6.690,6.715,0.511,0.295,4.0,6.63,0.3
-ZOBXUOKUYCCYHR_on_P28472_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681248;CHEMBL678329;CHEMBL682251;CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.690;  7.510;  6.570;  6.090,6.715,0.511,0.295,4.0,6.63,0.3
-ZOBXUOKUYCCYHR_on_P31644_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681480,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.090,6.09,0.0,0.0,1.0,6.09,0.0
-ZOBXUOKUYCCYHR_on_P34903_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682251,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-ZOBXUOKUYCCYHR_on_P47869_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681248,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,=,  6.690,6.69,0.0,0.0,1.0,6.69,0.0
-ZOBXUOKUYCCYHR_on_Q16445_WT,Low,ChEMBL30,CHEMBL368171,COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1,ZOBXUOKUYCCYHR,ZOBXUOKUYCCYHR-UHFFFAOYSA-N,"InChI=1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25,27H,13H2,1H3","""AuxInfo=1/0/N:1,21,22,20,23,25,24,26,27,17,12,29,15,7,16,19,18,13,11,28,10,5,8,3,14,6,9,4,2/rA:29COCOCNCCNCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;d20;s21;s18d22;s19;s16d24;s13;s10d26;s8s11;s5d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL683045,PMID:10633039,2000.0,PMID:10633039,2000,0,0,0,1,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZOCDWBGBPWHBNL_on_P41594_WT,Low,ChEMBL30,CHEMBL1784072,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(F)cc2)cn1,ZOCDWBGBPWHBNL,ZOCDWBGBPWHBNL-UHFFFAOYSA-N,"InChI=1S/C17H10FN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCFCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZOCDWBGBPWHBNL_on_Q13255_WT,High,ChEMBL30,CHEMBL1784072,C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(F)cc2)cn1,ZOCDWBGBPWHBNL,ZOCDWBGBPWHBNL-UHFFFAOYSA-N,"InChI=1S/C17H10FN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,19,22,18,23,3,7,24,20,17,10,11,12,5,9,14,21,4,6,8,25,16,15,13/E:(3,4)(5,6)/rA:25CCCNCNCNCCCCSCONCCCCFCCCN/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s20;s20;s17d22;s16;s11d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1786743,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ZOCSXAVNDGMNBV_on_O00591_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_O14764_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P14867_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3073009;CHEMBL3073012;CHEMBL3073011;CHEMBL3073010;CHEMBL832611,PMID:15341958,2004.0,DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;PMID:15341958,2008;2008;2008;2008;2004,1,0,0,0,0,,=,  5.110;  7.550;  7.480;  5.550;  8.640,6.8660000000000005,1.327,0.664,5.0,7.48,1.16
-ZOCSXAVNDGMNBV_on_P18505_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL3073010;CHEMBL3073009;CHEMBL832611,PMID:15341958,2004.0,DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;PMID:15341958,2008;2008;2004,1,0,0,0,0,,=,  5.550;  5.110;  8.640,6.433,1.571,1.111,3.0,5.55,0.44
-ZOCSXAVNDGMNBV_on_P18507_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3073010;CHEMBL3073011;CHEMBL3073470;CHEMBL832611,PMID:15341958,2004.0,DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07;PMID:15341958,2008;2008;2008;2004,1,0,0,0,0,,=,  5.550;  7.480;  7.770;  8.640,7.36,1.129,0.652,4.0,7.625,0.58
-ZOCSXAVNDGMNBV_on_P28472_WT,High,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680333;CHEMBL3073472,PMID:11677140,2001.0,PMID:11677140;DOI:10.1584/jpestics.R07-07,2001;2008,1,0,0,0,0,,=,  7.550;  8.620,8.085,0.535,0.535,2.0,8.085,0.535
-ZOCSXAVNDGMNBV_on_P31644_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P34903_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P47869_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P47870_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P48169_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_P78334_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZOCSXAVNDGMNBV_on_Q16445_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611;CHEMBL3073471;CHEMBL3073470,PMID:15341958,2004.0,PMID:15341958;DOI:10.1584/jpestics.R07-07;DOI:10.1584/jpestics.R07-07,2004;2008;2008,1,0,0,0,0,,=,  8.640;  8.510;  7.770,8.307,0.38299999999999995,0.271,3.0,8.51,0.13
-ZOCSXAVNDGMNBV_on_Q99928_WT,Low,ChEMBL30,CHEMBL101326,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F,ZOCSXAVNDGMNBV,ZOCSXAVNDGMNBV-UHFFFAOYSA-N,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2","""AuxInfo=1/0/N:9,15,2,10,7,16,3,6,20,18,11,23,8,17,12,13,14,24,25,26,1,19,4,5,22,21/E:(1,2)(5,6)(13,14)(15,16,17)(18,19,20)/rA:26NCCNNCCClCCCFFFCCClCNCS+O-CFFF/rB:t1;s2;d3;s4;s5;d6;s7;s7;d9;s10;s11;s11;s11;s10;s6d15;s16;s5;s18;s3d18;s20;s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  8.640,8.64,0.0,0.0,1.0,8.64,0.0
-ZODXHEFTTJWNPK_on_Q05586_WT,Low,ChEMBL30,CHEMBL596046,CS(=O)(=O)Nc1ccc(OCCNCCNc2cc(Cl)c(Cl)cc2)cc1,ZODXHEFTTJWNPK,ZODXHEFTTJWNPK-UHFFFAOYSA-N,"InChI=1S/C17H21Cl2N3O3S/c1-26(23,24)22-13-2-5-15(6-3-13)25-11-10-20-8-9-21-14-4-7-16(18)17(19)12-14/h2-7,12,20-22H,8-11H2,1H3","""AuxInfo=1/0/N:1,7,26,24,8,25,23,14,15,12,11,18,6,17,9,21,19,22,20,13,16,5,3,4,10,2/E:(2,3)(5,6)(23,24)/CRV:26.6/rA:26CSOONCCCCOCCNCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s21;s17d23;s9;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-ZODXHEFTTJWNPK_on_Q13224_WT,Low,ChEMBL30,CHEMBL596046,CS(=O)(=O)Nc1ccc(OCCNCCNc2cc(Cl)c(Cl)cc2)cc1,ZODXHEFTTJWNPK,ZODXHEFTTJWNPK-UHFFFAOYSA-N,"InChI=1S/C17H21Cl2N3O3S/c1-26(23,24)22-13-2-5-15(6-3-13)25-11-10-20-8-9-21-14-4-7-16(18)17(19)12-14/h2-7,12,20-22H,8-11H2,1H3","""AuxInfo=1/0/N:1,7,26,24,8,25,23,14,15,12,11,18,6,17,9,21,19,22,20,13,16,5,3,4,10,2/E:(2,3)(5,6)(23,24)/CRV:26.6/rA:26CSOONCCCCOCCNCCNCCCClCClCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;s19;d19;s21;s21;s17d23;s9;s6d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-ZOJGLIUFBPODLH_on_P14867_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL677034,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZOJGLIUFBPODLH_on_P18507_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL680669;CHEMBL677034;CHEMBL682709;CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.890;  6.000;  6.560;  6.940,6.848,0.6890000000000001,0.39799999999999996,4.0,6.75,0.47
-ZOJGLIUFBPODLH_on_P28472_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL680432;CHEMBL677034;CHEMBL682709;CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.940;  6.000;  6.560;  7.890,6.848,0.6890000000000001,0.39799999999999996,4.0,6.75,0.47
-ZOJGLIUFBPODLH_on_P31644_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL680669,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  7.890,7.89,0.0,0.0,1.0,7.89,0.0
-ZOJGLIUFBPODLH_on_P34903_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL680432,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.940,6.94,0.0,0.0,1.0,6.94,0.0
-ZOJGLIUFBPODLH_on_P47869_WT,Low,ChEMBL30,CHEMBL421072,Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1,ZOJGLIUFBPODLH,ZOJGLIUFBPODLH-UHFFFAOYSA-N,"InChI=1S/C22H21N5O2/c1-13-4-2-5-16(23-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-28-17/h2-6,11,14-15H,7-10,12H2,1H3","""AuxInfo=1/0/N:1,4,15,3,5,14,25,27,24,28,16,7,2,26,23,6,13,21,22,12,20,9,29,18,19,10,11,17,8/E:(7,8)(9,10)/rA:29CCCCCCCOCNNCCCCCONNCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;d15;s13s16;d12;s18;s11d19;s20;s9d21;s22;s23;s24;s21s25;s26;s23s27;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL682709,PMID:15214791,2004.0,PMID:15214791,2004,0,0,0,1,0,,=,  6.560,6.56,0.0,0.0,1.0,6.56,0.0
-ZOMOIRLSPVPXOT_on_P41594_WT,High,ChEMBL30,CHEMBL488234,Cc1ccc(C#Cc2cncnc2)cc1,ZOMOIRLSPVPXOT,ZOMOIRLSPVPXOT-UHFFFAOYSA-N,"InChI=1S/C13H10N2/c1-11-2-4-12(5-3-11)6-7-13-8-14-10-15-9-13/h2-5,8-10H,1H3","""AuxInfo=1/0/N:1,3,15,4,14,6,7,9,13,11,2,5,8,10,12/E:(2,3)(4,5)(8,9)(14,15)/rA:15CCCCCCCCCNCNCCC/rB:s1;d2;s3;d4;s5;t6;s7;d8;s9;d10;s11;s8d12;s5;s2d14;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2065269,PMID:22148748,2012.0,PMID:22148748,2012,0,1,0,0,0,,=,  5.480,5.48,0.0,0.0,1.0,5.48,0.0
-ZOOFBTWTCRPFRH_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL539185;1336785,CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,ZOOFBTWTCRPFRH,ZOOFBTWTCRPFRH-UHFFFAOYSA-N,"InChI=1S/C21H21NO/c1-17-13-15-22(16-14-17)21(23)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17H,13-16H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,19,13,12,10,20,9,21,3,23,4,22,2,14,11,8,6,5,7/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:23CCCCNCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;t12;s13;d14;s15;d16;s17;s14d18;s11;s8d20;s5;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1032756;PubChemAID:420101,PMID:19443216,2009.0,PMID:19443216;PubChemAID:420101,2009;2010,0,1;0,0,0,0;1,,=,  6.140;  6.143,6.141,0.002,0.002,2.0,6.141,0.002
-ZOPGLRUIVLIYDQ_on_P18507_WT,Low,ChEMBL30,CHEMBL189594,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccccc2)n1,ZOPGLRUIVLIYDQ,ZOPGLRUIVLIYDQ-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,19,23,15,16,12,7,18,13,10,6,9,17,4,14,11,24,8,5,3/E:(4,5)(6,7)/rA:24CCOCOCCNCCClCCClCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s18d22;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZOPGLRUIVLIYDQ_on_P47869_WT,Low,ChEMBL30,CHEMBL189594,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccccc2)n1,ZOPGLRUIVLIYDQ,ZOPGLRUIVLIYDQ-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,19,23,15,16,12,7,18,13,10,6,9,17,4,14,11,24,8,5,3/E:(4,5)(6,7)/rA:24CCOCOCCNCCClCCClCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s18d22;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZOPGLRUIVLIYDQ_on_P47870_WT,Low,ChEMBL30,CHEMBL189594,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccccc2)n1,ZOPGLRUIVLIYDQ,ZOPGLRUIVLIYDQ-UHFFFAOYSA-N,"InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3","""AuxInfo=1/0/N:1,2,21,20,22,19,23,15,16,12,7,18,13,10,6,9,17,4,14,11,24,8,5,3/E:(4,5)(6,7)/rA:24CCOCOCCNCCClCCClCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s18d22;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.750,5.75,0.0,0.0,1.0,5.75,0.0
-ZOSAZOVQKDMFEH_on_P41594_WT,High,ChEMBL30,CHEMBL1289349,O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2)CC1,ZOSAZOVQKDMFEH,ZOSAZOVQKDMFEH-UHFFFAOYSA-N,"InChI=1S/C19H21ClN2O2/c20-18-3-1-16(2-4-18)17-7-11-22(12-8-17)19(23)14-24-13-15-5-9-21-10-6-15/h1-6,9-10,17H,7-8,11-14H2","""AuxInfo=1/0/N:17,22,18,21,7,11,14,23,8,10,13,24,5,3,6,16,15,19,2,20,9,12,1,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24OCCOCCCCNCCNCCCCCCCClCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s15;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-ZOUPDMXBDCAHSJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3221831,CCCn1ccc2c(cccc2NCCc2ccccc2)c1=O,ZOUPDMXBDCAHSJ,ZOUPDMXBDCAHSJ-UHFFFAOYSA-N,"InChI=1S/C20H22N2O/c1-2-14-22-15-12-17-18(20(22)23)9-6-10-19(17)21-13-11-16-7-4-3-5-8-16/h3-10,12,15,21H,2,11,13-14H2,1H3","""AuxInfo=1/0/N:1,2,19,18,20,10,17,21,9,11,15,6,14,3,5,16,7,8,12,22,13,4,23/E:(4,5)(7,8)/rA:23CCCNCCCCCCCCNCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s17;d18;s19;s16d20;s4s8;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3224587;CHEMBL3224590,DOI:10.1039/C0MD00200C,2011.0,DOI:10.1039/C0MD00200C,2011,0,1,0,0,0,,=,  6.300;  6.800,6.55,0.25,0.25,2.0,6.55,0.25
-ZOVHVLLONGQMMD_on_P41594_WT,Medium,ChEMBL30,CHEMBL3940519,O=C(c1ccccc1)N1CCn2nc(COc3cc(F)ccc3)cc2C1,ZOVHVLLONGQMMD,ZOVHVLLONGQMMD-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O2/c21-16-7-4-8-19(11-16)26-14-17-12-18-13-23(9-10-24(18)22-17)20(25)15-5-2-1-3-6-15/h1-8,11-12H,9-10,13-14H2","""AuxInfo=1/0/N:6,5,7,22,4,8,21,23,10,11,18,24,26,15,3,19,14,25,17,2,20,13,9,12,1,16/E:(2,3)(5,6)/rA:26OCCCCCCCNCCNNCCOCCCFCCCCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;d13;s14;s15;s16;d17;s18;s19;d19;s21;s17d22;s14;s12d24;s9s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887954,PATENT:US9255103B2,2016.0,PATENT:US9255103B2,2016,0,1,0,0,0,,=,  6.590,6.59,0.0,0.0,1.0,6.59,0.0
-ZPCSSDNRPJQOPA_on_O14764_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZPCSSDNRPJQOPA_on_P14867_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZPCSSDNRPJQOPA_on_P18507_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZPCSSDNRPJQOPA_on_P28472_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZPCSSDNRPJQOPA_on_P47870_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL4040854,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZPCSSDNRPJQOPA_on_P48169_WT,Low,ChEMBL30,CHEMBL4084134,COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1,ZPCSSDNRPJQOPA,ZPCSSDNRPJQOPA-UHFFFAOYSA-N,"InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3","""AuxInfo=1/0/N:17,1,10,11,30,29,14,7,15,6,32,25,27,23,21,3,24,9,8,13,12,31,18,19,16,4,26,28,22,20,5,2/rA:32COCCOCCCCCCCCCCCCCCOCNCCCNCNCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;s15;s16;s16;s18;d19;s19;s21;s22;d23;s24;t25;s24;s22d27;s18;s29;s12s16s30;s4s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL4040856,PMID:28753313,2017.0,PMID:28753313,2017,0,1,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZPDMIQZYHNQXIO_on_Q14416_WT,High,ChEMBL30,CHEMBL182511,Cc1c(OCCCCOc2c(F)c(F)ccc2)ccc(C(=O)CC(C)C)c1O,ZPDMIQZYHNQXIO,ZPDMIQZYHNQXIO-UHFFFAOYSA-N,"InChI=1S/C22H26F2O4/c1-14(2)13-18(25)16-9-10-19(15(3)22(16)26)27-11-4-5-12-28-20-8-6-7-17(23)21(20)24/h6-10,14,26H,4-5,11-13H2,1-3H3","""AuxInfo=1/0/N:25,26,1,6,7,16,15,17,19,18,5,8,23,24,2,20,13,21,3,10,11,27,14,12,22,28,4,9/E:(1,2)/rA:28CCCOCCCCOCCFCFCCCCCCCOCCCCCO/rB:s1;d2;s3;s4;s5;s6;s7;s8;s9;d10;s11;s11;s13;d13;s15;s10d16;s3;d18;s19;s20;d21;s21;s23;s24;s24;s2d20;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL829721,PMID:15501058,2004.0,PMID:15501058,2004,0,1,0,0,0,,=,  6.420,6.42,0.0,0.0,1.0,6.42,0.0
-ZPEIMTDSQAKGNT_on_O15399_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.960;  6.220,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_O60391_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL749669;CHEMBL749668,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  5.960;  6.220,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.220;  5.960,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_Q05586_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.220;  5.960,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_Q12879_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.220;  5.960,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_Q13224_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.220;  5.960,6.09,0.13,0.13,2.0,6.09,0.13
-ZPEIMTDSQAKGNT_on_Q14957_WT,Low,ChEMBL30,CHEMBL71,CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2,ZPEIMTDSQAKGNT,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3","""AuxInfo=1/0/N:1,3,12,11,5,13,10,20,21,4,6,17,18,8,16,9,15,19,2,7,14/E:(1,2)/rA:21CNCCCCNCCCCCCSCCCCClCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s11;s8d12;s9;s14;s7d15;s16;d17;s18;s18;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL749668;CHEMBL749669,PMID:1433216,1992.0,PMID:1433216,1992,1,0,0,0,0,,=,  6.220;  5.960,6.09,0.13,0.13,2.0,6.09,0.13
-ZPJLLLWUSJVREL_on_P41594_WT,High,ChEMBL30,CHEMBL3702395,COCCOCc1cccc2c1CCN1C(=O)CN=C(c3cccc(OC)c3)C=C21,ZPJLLLWUSJVREL,ZPJLLLWUSJVREL-UHFFFAOYSA-N,"InChI=1S/C24H26N2O4/c1-28-11-12-30-16-18-6-4-8-21-20(18)9-10-26-23(21)14-22(25-15-24(26)27)17-5-3-7-19(13-17)29-2/h3-8,13-14H,9-12,15-16H2,1-2H3","""AuxInfo=1/0/N:1,27,23,9,22,8,24,10,13,14,3,4,28,29,18,6,21,7,25,12,11,20,30,16,19,15,17,2,26,5/rA:30COCCOCCCCCCCCCNCOCNCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s16;s18;w?19;s20;d21;s22;d23;s24;s25;s26;s21d25;s20;s11s15w?29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.800,5.8,0.0,0.0,1.0,5.8,0.0
-ZPJLLLWUSJVREL_on_Q13255_WT,Low,ChEMBL30,CHEMBL3702395,COCCOCc1cccc2c1CCN1C(=O)CN=C(c3cccc(OC)c3)C=C21,ZPJLLLWUSJVREL,ZPJLLLWUSJVREL-UHFFFAOYSA-N,"InChI=1S/C24H26N2O4/c1-28-11-12-30-16-18-6-4-8-21-20(18)9-10-26-23(21)14-22(25-15-24(26)27)17-5-3-7-19(13-17)29-2/h3-8,13-14H,9-12,15-16H2,1-2H3","""AuxInfo=1/0/N:1,27,23,9,22,8,24,10,13,14,3,4,28,29,18,6,21,7,25,12,11,20,30,16,19,15,17,2,26,5/rA:30COCCOCCCCCCCCCNCOCNCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s10;s7d11;s12;s13;s14;s15;d16;s16;s18;w?19;s20;d21;s22;d23;s24;s25;s26;s21d25;s20;s11s15w?29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZPPSBQVNGSDAFI_on_P14867_WT,Low,ChEMBL30,CHEMBL3138009,CC(=O)c1ccc(C#CC2(O)CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,ZPPSBQVNGSDAFI,ZPPSBQVNGSDAFI-UHFFFAOYSA-N,"InChI=1S/C31H40O3/c1-20(32)23-7-5-22(6-8-23)13-16-31(34)18-17-29(3)24(19-31)9-10-25-27-12-11-26(21(2)33)30(27,4)15-14-28(25)29/h5-8,24-28,34H,9-12,14-15,17-19H2,1-4H3","""AuxInfo=1/0/N:1,27,15,24,6,33,5,34,17,18,29,30,8,21,22,9,13,12,32,2,26,7,4,16,19,25,31,20,14,23,10,3,28,11/E:(5,6)(7,8)/rA:34CCOCCCCCCCOCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s14;s16;s17;s18;s14s19;s20;s21;s22;s23;s23;s25;s26;d26;s25;s29;s19s23s30;s10s16;s7;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-ZPPSBQVNGSDAFI_on_P18507_WT,Low,ChEMBL30,CHEMBL3138009,CC(=O)c1ccc(C#CC2(O)CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,ZPPSBQVNGSDAFI,ZPPSBQVNGSDAFI-UHFFFAOYSA-N,"InChI=1S/C31H40O3/c1-20(32)23-7-5-22(6-8-23)13-16-31(34)18-17-29(3)24(19-31)9-10-25-27-12-11-26(21(2)33)30(27,4)15-14-28(25)29/h5-8,24-28,34H,9-12,14-15,17-19H2,1-4H3","""AuxInfo=1/0/N:1,27,15,24,6,33,5,34,17,18,29,30,8,21,22,9,13,12,32,2,26,7,4,16,19,25,31,20,14,23,10,3,28,11/E:(5,6)(7,8)/rA:34CCOCCCCCCCOCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s14;s16;s17;s18;s14s19;s20;s21;s22;s23;s23;s25;s26;d26;s25;s29;s19s23s30;s10s16;s7;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-ZPPSBQVNGSDAFI_on_P47870_WT,Low,ChEMBL30,CHEMBL3138009,CC(=O)c1ccc(C#CC2(O)CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1,ZPPSBQVNGSDAFI,ZPPSBQVNGSDAFI-UHFFFAOYSA-N,"InChI=1S/C31H40O3/c1-20(32)23-7-5-22(6-8-23)13-16-31(34)18-17-29(3)24(19-31)9-10-25-27-12-11-26(21(2)33)30(27,4)15-14-28(25)29/h5-8,24-28,34H,9-12,14-15,17-19H2,1-4H3","""AuxInfo=1/0/N:1,27,15,24,6,33,5,34,17,18,29,30,8,21,22,9,13,12,32,2,26,7,4,16,19,25,31,20,14,23,10,3,28,11/E:(5,6)(7,8)/rA:34CCOCCCCCCCOCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;t8;s9;s10;s10;s12;s13;s14;s14;s16;s17;s18;s14s19;s20;s21;s22;s23;s23;s25;s26;d26;s25;s29;s19s23s30;s10s16;s7;s4d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL822947,PMID:9016330,1997.0,PMID:9016330,1997,0,1,0,0,0,,=,  8.180,8.18,0.0,0.0,1.0,8.18,0.0
-ZPPXXCBBQVGQER_on_P41594_WT,High,ChEMBL30,CHEMBL3633964,CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12,ZPPXXCBBQVGQER,ZPPXXCBBQVGQER-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c1-10(21)19-3-2-4-20-15(19)8-13(18-20)9-22-14-6-11(16)5-12(17)7-14/h5-8H,2-4,9H2,1H3","""AuxInfo=1/0/N:1,6,5,7,17,14,20,21,11,2,15,18,10,13,22,16,19,9,4,8,3,12/E:(6,7)(11,12)(16,17)/rA:22CCONCCCNNCCOCCCFCCFCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;s11;s12;d13;s14;s15;d15;s17;s18;s13d18;s10;s4s8d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3636798,PMID:26475522,2015.0,PMID:26475522,2015,0,1,0,0,0,,=,  5.900;  5.900,5.9,0.0,0.0,2.0,5.9,0.0
-ZPQLCRIOLZPVJB_on_P14867_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-ZPQLCRIOLZPVJB_on_P18507_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273617;CHEMBL1273618;CHEMBL1273616;CHEMBL1273619;CHEMBL1273615;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.930;  5.520;  6.840;  6.900;  7.580;  5.700,6.577999999999999,0.7290000000000001,0.326,6.0,6.87,0.385
-ZPQLCRIOLZPVJB_on_P28472_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273619;CHEMBL1273618;CHEMBL1273617;CHEMBL1273615;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700;  6.900;  5.520;  6.930;  7.580;  6.840,6.577999999999999,0.7290000000000001,0.326,6.0,6.87,0.385
-ZPQLCRIOLZPVJB_on_P31644_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.900,6.9,0.0,0.0,1.0,6.9,0.0
-ZPQLCRIOLZPVJB_on_P34903_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1273617,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.930,6.93,0.0,0.0,1.0,6.93,0.0
-ZPQLCRIOLZPVJB_on_P47869_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.840,6.84,0.0,0.0,1.0,6.84,0.0
-ZPQLCRIOLZPVJB_on_P48169_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL1273618,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.520,5.52,0.0,0.0,1.0,5.52,0.0
-ZPQLCRIOLZPVJB_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270347,O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1,ZPQLCRIOLZPVJB,ZPQLCRIOLZPVJB-UHFFFAOYSA-N,"InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2","""AuxInfo=1/0/N:20,19,23,24,21,16,26,11,4,17,15,25,14,9,12,18,2,5,6,7,8,10,13,1,22,3/E:(19,20,21)/rA:26OCOCCFFFCNCCNCCCCCCCCOCCCC/rB:d1;s2;s3;s4;s5;s5;s5;s2;d9;s10;d11;s12;s13;d14;s15;d16;s17;d18;s19;d20;s18s21;s17;s14d23;s12s15;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.700,5.7,0.0,0.0,1.0,5.7,0.0
-ZPSBXQBYCQOCEU_on_P14867_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.370,8.37,0.0,0.0,1.0,8.37,0.0
-ZPSBXQBYCQOCEU_on_P18507_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL676826;CHEMBL681841;CHEMBL678741;CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.370;  8.720;  9.070;  9.420,8.895,0.391,0.226,4.0,8.895,0.35
-ZPSBXQBYCQOCEU_on_P28472_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL681841;CHEMBL676826;CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.420;  8.720;  8.370;  9.070,8.895,0.391,0.226,4.0,8.895,0.35
-ZPSBXQBYCQOCEU_on_P31644_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.420,9.42,0.0,0.0,1.0,9.42,0.0
-ZPSBXQBYCQOCEU_on_P34903_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  9.070,9.07,0.0,0.0,1.0,9.07,0.0
-ZPSBXQBYCQOCEU_on_P47869_WT,Low,ChEMBL30,CHEMBL53238,c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1,ZPSBXQBYCQOCEU,ZPSBXQBYCQOCEU-UHFFFAOYSA-N,"InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2","""AuxInfo=1/0/N:1,2,27,13,12,22,21,3,26,23,14,11,20,17,4,18,9,10,5,8,15,19,6,7,24,25,16/E:(2,3)(8,9)/rA:27CCCCCNNCCCCCCCCOCCNCCCCNNCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;s9s13;s10;s15;s16;s17;d18;s19;d20;s21;s18d22;d15;s5s8s24;s4;s1d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  8.720,8.72,0.0,0.0,1.0,8.72,0.0
-ZPUCINDJVBIVPJ_on_O00591_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_O14764_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P14867_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P18505_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P18507_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P28472_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P31644_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P34903_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P47869_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P47870_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P48169_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_P78334_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_Q16445_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZPUCINDJVBIVPJ_on_Q99928_WT,Low,ChEMBL30,CHEMBL370805,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,ZPUCINDJVBIVPJ,ZPUCINDJVBIVPJ-UHFFFAOYSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3","""AuxInfo=1/0/N:22,1,13,12,14,11,15,18,19,16,10,17,20,6,5,8,3,21,9,4,2,7/E:(4,5)(6,7)/rA:22COCOCCOCOCCCCCCCCCCCNC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;s6;s16;s17;s18;s5s19;s17s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL685381,PMID:10780899,2000.0,PMID:10780899,2000,1,0,0,0,0,,=,  3.896,3.8960000000000004,0.0,0.0,1.0,3.8960000000000004,0.0
-ZQHRUAAERVQXAH_on_O15399_WT,Low,ChEMBL30,CHEMBL1161117,CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O)NC1=O,ZQHRUAAERVQXAH,ZQHRUAAERVQXAH-UHFFFAOYSA-N,"InChI=1S/C80H133N23O30/c1-8-39(6)65-80(133)97-43(70(123)93-47(19-26-62(113)114)73(126)92-42(13-9-11-29-81)71(124)102-54(36-104)79(132)99-51(66(87)119)34-58(86)108)14-10-12-30-88-59(109)24-17-46(75(128)101-53(32-38(4)5)78(131)103-65)91-68(121)41(15-22-55(83)105)50(33-57(85)107)98-67(120)40(7)89-69(122)45(16-23-56(84)106)96-77(130)52(31-37(2)3)100-76(129)49(21-28-64(117)118)95-74(127)48(20-27-63(115)116)94-72(125)44(18-25-61(111)112)90-60(110)35-82/h37-54,65,104H,8-36,81-82H2,1-7H3,(H2,83,105)(H2,84,106)(H2,85,107)(H2,86,108)(H2,87,119)(H,88,109)(H,89,122)(H,90,110)(H,91,121)(H,92,126)(H,93,123)(H,94,125)(H,95,127)(H,96,130)(H,97,133)(H,98,120)(H,99,132)(H,100,129)(H,101,128)(H,102,124)(H,103,131)(H,111,112)(H,113,114)(H,115,116)(H,117,118)","""AuxInfo=1/1/N:1,52,53,12,13,4,36,2,110,93,111,92,109,94,22,41,86,76,100,67,58,23,42,87,77,101,68,59,112,91,50,10,28,124,84,118,51,11,3,35,21,108,95,75,40,17,99,66,57,27,123,49,9,117,24,43,29,125,88,82,78,102,69,60,5,128,33,19,38,96,114,73,105,64,15,55,47,7,120,132,113,85,25,44,30,126,129,90,37,81,18,107,98,72,63,46,131,32,122,54,14,116,6,119,26,45,31,127,89,83,79,80,103,104,70,71,61,62,130,34,20,39,97,115,74,106,65,16,56,48,8,121,133/E:(2,3)(4,5)(111,112)(113,114)(115,116)(117,118)/rA:133CCCCCNCOCCCCCNCOCNCOCCCCNOCCCNONCOCCNCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCCCONCCCCCCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNONCO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;d19;s19;s21;s22;s23;s24;d24;s21;s27;s28;s29;d29;s27;s32;d33;s33;s35;s35;s37;d38;s38;s40;s41;s42;s43;d43;s40;s46;d47;s47;s49;s50;s51;s51;s49;s54;d55;s55;s57;s58;s59;d60;s60;s57;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s17;s86;s87;d88;s88;s90;s91;s92;s93;s94;s95;d96;s96;s98;s99;s100;s101;d102;s102;s99;d105;s105;s107;s108;s109;s110;s111;s112;s108;d114;s114;s116;s117;s118;s117;d120;s120;s122;s123;s124;s125;d125;s123;s128;d128;s95;s5s131;d132;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747349,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-ZQHRUAAERVQXAH_on_O60391_WT,Low,ChEMBL30,CHEMBL1161117,CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O)NC1=O,ZQHRUAAERVQXAH,ZQHRUAAERVQXAH-UHFFFAOYSA-N,"InChI=1S/C80H133N23O30/c1-8-39(6)65-80(133)97-43(70(123)93-47(19-26-62(113)114)73(126)92-42(13-9-11-29-81)71(124)102-54(36-104)79(132)99-51(66(87)119)34-58(86)108)14-10-12-30-88-59(109)24-17-46(75(128)101-53(32-38(4)5)78(131)103-65)91-68(121)41(15-22-55(83)105)50(33-57(85)107)98-67(120)40(7)89-69(122)45(16-23-56(84)106)96-77(130)52(31-37(2)3)100-76(129)49(21-28-64(117)118)95-74(127)48(20-27-63(115)116)94-72(125)44(18-25-61(111)112)90-60(110)35-82/h37-54,65,104H,8-36,81-82H2,1-7H3,(H2,83,105)(H2,84,106)(H2,85,107)(H2,86,108)(H2,87,119)(H,88,109)(H,89,122)(H,90,110)(H,91,121)(H,92,126)(H,93,123)(H,94,125)(H,95,127)(H,96,130)(H,97,133)(H,98,120)(H,99,132)(H,100,129)(H,101,128)(H,102,124)(H,103,131)(H,111,112)(H,113,114)(H,115,116)(H,117,118)","""AuxInfo=1/1/N:1,52,53,12,13,4,36,2,110,93,111,92,109,94,22,41,86,76,100,67,58,23,42,87,77,101,68,59,112,91,50,10,28,124,84,118,51,11,3,35,21,108,95,75,40,17,99,66,57,27,123,49,9,117,24,43,29,125,88,82,78,102,69,60,5,128,33,19,38,96,114,73,105,64,15,55,47,7,120,132,113,85,25,44,30,126,129,90,37,81,18,107,98,72,63,46,131,32,122,54,14,116,6,119,26,45,31,127,89,83,79,80,103,104,70,71,61,62,130,34,20,39,97,115,74,106,65,16,56,48,8,121,133/E:(2,3)(4,5)(111,112)(113,114)(115,116)(117,118)/rA:133CCCCCNCOCCCCCNCOCNCOCCCCNOCCCNONCOCCNCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCCCONCCCCCCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNONCO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;d19;s19;s21;s22;s23;s24;d24;s21;s27;s28;s29;d29;s27;s32;d33;s33;s35;s35;s37;d38;s38;s40;s41;s42;s43;d43;s40;s46;d47;s47;s49;s50;s51;s51;s49;s54;d55;s55;s57;s58;s59;d60;s60;s57;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s17;s86;s87;d88;s88;s90;s91;s92;s93;s94;s95;d96;s96;s98;s99;s100;s101;d102;s102;s99;d105;s105;s107;s108;s109;s110;s111;s112;s108;d114;s114;s116;s117;s118;s117;d120;s120;s122;s123;s124;s125;d125;s123;s128;d128;s95;s5s131;d132;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747349,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
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-ZQHRUAAERVQXAH_on_Q13224_WT,Low,ChEMBL30,CHEMBL1161117,CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O)NC1=O,ZQHRUAAERVQXAH,ZQHRUAAERVQXAH-UHFFFAOYSA-N,"InChI=1S/C80H133N23O30/c1-8-39(6)65-80(133)97-43(70(123)93-47(19-26-62(113)114)73(126)92-42(13-9-11-29-81)71(124)102-54(36-104)79(132)99-51(66(87)119)34-58(86)108)14-10-12-30-88-59(109)24-17-46(75(128)101-53(32-38(4)5)78(131)103-65)91-68(121)41(15-22-55(83)105)50(33-57(85)107)98-67(120)40(7)89-69(122)45(16-23-56(84)106)96-77(130)52(31-37(2)3)100-76(129)49(21-28-64(117)118)95-74(127)48(20-27-63(115)116)94-72(125)44(18-25-61(111)112)90-60(110)35-82/h37-54,65,104H,8-36,81-82H2,1-7H3,(H2,83,105)(H2,84,106)(H2,85,107)(H2,86,108)(H2,87,119)(H,88,109)(H,89,122)(H,90,110)(H,91,121)(H,92,126)(H,93,123)(H,94,125)(H,95,127)(H,96,130)(H,97,133)(H,98,120)(H,99,132)(H,100,129)(H,101,128)(H,102,124)(H,103,131)(H,111,112)(H,113,114)(H,115,116)(H,117,118)","""AuxInfo=1/1/N:1,52,53,12,13,4,36,2,110,93,111,92,109,94,22,41,86,76,100,67,58,23,42,87,77,101,68,59,112,91,50,10,28,124,84,118,51,11,3,35,21,108,95,75,40,17,99,66,57,27,123,49,9,117,24,43,29,125,88,82,78,102,69,60,5,128,33,19,38,96,114,73,105,64,15,55,47,7,120,132,113,85,25,44,30,126,129,90,37,81,18,107,98,72,63,46,131,32,122,54,14,116,6,119,26,45,31,127,89,83,79,80,103,104,70,71,61,62,130,34,20,39,97,115,74,106,65,16,56,48,8,121,133/E:(2,3)(4,5)(111,112)(113,114)(115,116)(117,118)/rA:133CCCCCNCOCCCCCNCOCNCOCCCCNOCCCNONCOCCNCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCCCONCCCCCCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNONCO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;d19;s19;s21;s22;s23;s24;d24;s21;s27;s28;s29;d29;s27;s32;d33;s33;s35;s35;s37;d38;s38;s40;s41;s42;s43;d43;s40;s46;d47;s47;s49;s50;s51;s51;s49;s54;d55;s55;s57;s58;s59;d60;s60;s57;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s17;s86;s87;d88;s88;s90;s91;s92;s93;s94;s95;d96;s96;s98;s99;s100;s101;d102;s102;s99;d105;s105;s107;s108;s109;s110;s111;s112;s108;d114;s114;s116;s117;s118;s117;d120;s120;s122;s123;s124;s125;d125;s123;s128;d128;s95;s5s131;d132;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747349,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-ZQHRUAAERVQXAH_on_Q14957_WT,Low,ChEMBL30,CHEMBL1161117,CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O)NC1=O,ZQHRUAAERVQXAH,ZQHRUAAERVQXAH-UHFFFAOYSA-N,"InChI=1S/C80H133N23O30/c1-8-39(6)65-80(133)97-43(70(123)93-47(19-26-62(113)114)73(126)92-42(13-9-11-29-81)71(124)102-54(36-104)79(132)99-51(66(87)119)34-58(86)108)14-10-12-30-88-59(109)24-17-46(75(128)101-53(32-38(4)5)78(131)103-65)91-68(121)41(15-22-55(83)105)50(33-57(85)107)98-67(120)40(7)89-69(122)45(16-23-56(84)106)96-77(130)52(31-37(2)3)100-76(129)49(21-28-64(117)118)95-74(127)48(20-27-63(115)116)94-72(125)44(18-25-61(111)112)90-60(110)35-82/h37-54,65,104H,8-36,81-82H2,1-7H3,(H2,83,105)(H2,84,106)(H2,85,107)(H2,86,108)(H2,87,119)(H,88,109)(H,89,122)(H,90,110)(H,91,121)(H,92,126)(H,93,123)(H,94,125)(H,95,127)(H,96,130)(H,97,133)(H,98,120)(H,99,132)(H,100,129)(H,101,128)(H,102,124)(H,103,131)(H,111,112)(H,113,114)(H,115,116)(H,117,118)","""AuxInfo=1/1/N:1,52,53,12,13,4,36,2,110,93,111,92,109,94,22,41,86,76,100,67,58,23,42,87,77,101,68,59,112,91,50,10,28,124,84,118,51,11,3,35,21,108,95,75,40,17,99,66,57,27,123,49,9,117,24,43,29,125,88,82,78,102,69,60,5,128,33,19,38,96,114,73,105,64,15,55,47,7,120,132,113,85,25,44,30,126,129,90,37,81,18,107,98,72,63,46,131,32,122,54,14,116,6,119,26,45,31,127,89,83,79,80,103,104,70,71,61,62,130,34,20,39,97,115,74,106,65,16,56,48,8,121,133/E:(2,3)(4,5)(111,112)(113,114)(115,116)(117,118)/rA:133CCCCCNCOCCCCCNCOCNCOCCCCNOCCCNONCOCCNCOCCCCNONCOCCCCCNCOCCCCOONCOCCCCOONCOCCCCOONCOCNCCCONCCCCCCONCCCCOOCONCCCCCNCONCCOCONCCCNOCNONCO/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s11;s9;s14;d15;s15;s17;s18;d19;s19;s21;s22;s23;s24;d24;s21;s27;s28;s29;d29;s27;s32;d33;s33;s35;s35;s37;d38;s38;s40;s41;s42;s43;d43;s40;s46;d47;s47;s49;s50;s51;s51;s49;s54;d55;s55;s57;s58;s59;d60;s60;s57;s63;d64;s64;s66;s67;s68;d69;s69;s66;s72;d73;s73;s75;s76;s77;d78;s78;s75;s81;d82;s82;s84;s17;s86;s87;d88;s88;s90;s91;s92;s93;s94;s95;d96;s96;s98;s99;s100;s101;d102;s102;s99;d105;s105;s107;s108;s109;s110;s111;s112;s108;d114;s114;s116;s117;s118;s117;d120;s120;s122;s123;s124;s125;d125;s123;s128;d128;s95;s5s131;d132;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747349,PMID:9986713,1999.0,PMID:9986713,1999,1,0,0,0,0,,<,  4.699,4.699,0.0,0.0,1.0,4.699,0.0
-ZQKDRKYFMGXQPZ_on_P41594_WT,High,ChEMBL30,CHEMBL1682813,CC(=O)N1CCOc2c1ccc(C#Cc1ccccc1)n2,ZQKDRKYFMGXQPZ,ZQKDRKYFMGXQPZ-UHFFFAOYSA-N,"InChI=1S/C17H14N2O2/c1-13(20)19-11-12-21-17-16(19)10-9-15(18-17)8-7-14-5-3-2-4-6-14/h2-6,9-10H,11-12H2,1H3","""AuxInfo=1/0/N:1,18,17,19,16,20,14,13,11,10,5,6,2,15,12,9,8,21,4,3,7/E:(3,4)(5,6)/rA:21CCONCCOCCCCCCCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;d10;s11;s12;t13;s14;d15;s16;d17;s18;s15d19;s8d12;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  7.210;  7.210,7.21,0.0,0.0,2.0,7.21,0.0
-ZQLNLYNPYFHOMH_on_P41594_WT,High,ChEMBL30,CHEMBL3702367,COc1cccc(C2=NCC(=O)N3CCc4c(ccc(Cl)c4OC)C3=C2)c1,ZQLNLYNPYFHOMH,ZQLNLYNPYFHOMH-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O3/c1-26-14-5-3-4-13(10-14)18-11-19-15-6-7-17(22)21(27-2)16(15)8-9-24(19)20(25)12-23-18/h3-7,10-11H,8-9,12H2,1-2H3","""AuxInfo=1/0/N:1,24,5,6,4,18,19,15,14,27,26,10,7,3,17,16,20,8,25,11,22,21,9,13,12,2,23/rA:27COCCCCCCNCCONCCCCCCCClCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s22;s23;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-ZQLNLYNPYFHOMH_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702367,COc1cccc(C2=NCC(=O)N3CCc4c(ccc(Cl)c4OC)C3=C2)c1,ZQLNLYNPYFHOMH,ZQLNLYNPYFHOMH-UHFFFAOYSA-N,"InChI=1S/C21H19ClN2O3/c1-26-14-5-3-4-13(10-14)18-11-19-15-6-7-17(22)21(27-2)16(15)8-9-24(19)20(25)12-23-18/h3-7,10-11H,8-9,12H2,1-2H3","""AuxInfo=1/0/N:1,24,5,6,4,18,19,15,14,27,26,10,7,3,17,16,20,8,25,11,22,21,9,13,12,2,23/rA:27COCCCCCCNCCONCCCCCCCClCOCCCC/rB:s1;s2;d3;s4;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s20;s16d20;s22;s23;s13s17;s8w?25;s3d7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.280,6.28,0.0,0.0,1.0,6.28,0.0
-ZQLPLWRQUVVKJZ_on_P14867_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.050,9.05,0.0,0.0,1.0,9.05,0.0
-ZQLPLWRQUVVKJZ_on_P18507_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829005;CHEMBL830420;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.600;  8.850;  9.050;  9.720,9.055,0.41600000000000004,0.24,4.0,8.95,0.225
-ZQLPLWRQUVVKJZ_on_P28472_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830421;CHEMBL829005;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.050;  9.720;  8.600;  8.850,9.055,0.41600000000000004,0.24,4.0,8.95,0.225
-ZQLPLWRQUVVKJZ_on_P31644_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  9.720,9.72,0.0,0.0,1.0,9.72,0.0
-ZQLPLWRQUVVKJZ_on_P34903_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.850,8.85,0.0,0.0,1.0,8.85,0.0
-ZQLPLWRQUVVKJZ_on_P47869_WT,Low,ChEMBL30,CHEMBL361129,CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1,ZQLPLWRQUVVKJZ,ZQLPLWRQUVVKJZ-UHFFFAOYSA-N,"InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3","""AuxInfo=1/0/N:1,2,18,17,19,16,20,28,30,27,31,3,9,6,29,26,15,8,24,25,14,23,11,7,5,21,22,12,4,13,10/E:(4,5)(6,7)(8,9)(10,11)/rA:31CCCNNCNCCOCNNCCCCCCCNNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;s18;s15d19;d14;s21;s13d22;s23;s11d24;s25;s26;s27;s24s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.600,8.6,0.0,0.0,1.0,8.6,0.0
-ZQLRNXSQXQGVBK_on_P14867_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.920;  7.920,7.92,0.0,0.0,2.0,7.92,0.0
-ZQLRNXSQXQGVBK_on_P18507_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL683015;CHEMBL680293;CHEMBL685340;CHEMBL681090;CHEMBL681405;CHEMBL681641;CHEMBL682253;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794,2002;2002;2002;2002;2003;2003;2003;2003,0,0,0,1,0,,=,  7.800;  7.920;  8.800;  7.800;  7.800;  7.920;  7.800;  8.800,8.08,0.419,0.158,8.0,7.86,0.06
-ZQLRNXSQXQGVBK_on_P28472_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL682253;CHEMBL681405;CHEMBL683015;CHEMBL681641;CHEMBL685339;CHEMBL680293;CHEMBL685340;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:11881985;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985,2003;2003;2002;2003;2003;2002;2002;2002,0,0,0,1,0,,=,  7.800;  7.800;  7.800;  7.920;  8.800;  7.920;  8.800;  7.800,8.08,0.419,0.158,8.0,7.86,0.06
-ZQLRNXSQXQGVBK_on_P31644_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  8.800;  8.800,8.8,0.0,0.0,2.0,8.8,0.0
-ZQLRNXSQXQGVBK_on_P34903_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253;CHEMBL681090,PMID:11881985,2002.0,PMID:12747794;PMID:11881985,2003;2002,0,0,0,1,0,,=,  7.800;  7.800,7.8,0.0,0.0,2.0,7.8,0.0
-ZQLRNXSQXQGVBK_on_P47869_WT,Low,ChEMBL30,CHEMBL274281,CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1,ZQLRNXSQXQGVBK,ZQLRNXSQXQGVBK-UHFFFAOYSA-N,"InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)","""AuxInfo=1/1/N:1,10,11,2,19,18,12,8,13,15,6,5,14,4,9,17,16,7,3,20/E:(2,3)/rA:20CCSCCCOCCCCCCCCNNCCS/rB:s1;s2;s3;d4;s5;d6;s6;s8;s9;s9;s9;s5s12;d13;s14;d15;s16;s17;s15d18;s4s14;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683015;CHEMBL681405,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.800;  7.800,7.8,0.0,0.0,2.0,7.8,0.0
-ZQNCASGEJFSEKA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3907527,CCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1,ZQNCASGEJFSEKA,ZQNCASGEJFSEKA-UHFFFAOYSA-N,"InChI=1S/C23H19FN4O3/c1-2-31-23(30)16-11-26-28(13-16)12-14-3-8-18-19(15-4-6-17(24)7-5-15)10-21(22(25)29)27-20(18)9-14/h3-11,13H,2,12H2,1H3,(H2,25,29)","""AuxInfo=1/1/N:1,2,11,16,21,17,20,12,29,22,31,9,7,10,15,6,18,13,14,28,23,24,4,19,25,30,27,8,26,5,3/E:(4,5)(6,7)/rA:31CCOCOCCNCCCCCCCCCCFCCCCCNONCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;d14;s22;s23;s24;d24;d23;s13s27;s10d28;s8;s6d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-ZQRLCXPXLAOXHS_on_O00591_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_O14764_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P14867_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P18505_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P18507_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P28472_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P31644_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P34903_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P47869_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P47870_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P48169_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_P78334_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_Q16445_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQRLCXPXLAOXHS_on_Q99928_WT,Low,ChEMBL30,CHEMBL57418,COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1,ZQRLCXPXLAOXHS,ZQRLCXPXLAOXHS-UHFFFAOYSA-N,"InChI=1S/C19H21N3O2/c1-11-15(19(23)24-2)17(20)16-13-9-5-6-10-14(13)22(18(16)21-11)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H2,20,21)","""AuxInfo=1/1/N:12,1,16,17,22,23,15,18,21,24,11,14,20,19,5,8,6,9,3,7,10,13,4,2/E:(3,4)(7,8)/rA:24COCOCCNCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s3;d5;s6;s6;d8;s9;s5d10;s11;s9;s13;s14;s15;s16;s14s17;s13;s8d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL678606,DOI:10.1016/S0960-894X(01)80991-4,1993.0,DOI:10.1016/S0960-894X(01)80991-4,1993,1,0,0,0,0,,=,  4.100,4.1,0.0,0.0,1.0,4.1,0.0
-ZQSWFSQWSMTPAG_on_O00591_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_O14764_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P14867_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P18505_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P18507_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P28472_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P31644_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P34903_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P47869_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P47870_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P48169_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_P78334_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_Q16445_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQSWFSQWSMTPAG_on_Q99928_WT,Low,ChEMBL30,CHEMBL59589,O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2,ZQSWFSQWSMTPAG,ZQSWFSQWSMTPAG-UHFFFAOYSA-N,"InChI=1S/C15H9FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H","""AuxInfo=1/0/N:10,9,11,8,17,20,3,18,5,6,15,2,4,13,14,7,19,16,1,12/rA:20OCCCCCFCCCCOCCCOCCOC/rB:d1;s2;d3;s4;d5;s6;s6;d8;s9;s5d10;s4;s12;s2d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  5.100,5.1,0.0,0.0,1.0,5.1,0.0
-ZQUOJYUBRLIIJG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3330825,COc1ccc(-n2cnc3c(scc3-c3ccc(C)cc3)c2=O)cc1,ZQUOJYUBRLIIJG,ZQUOJYUBRLIIJG-UHFFFAOYSA-N,"InChI=1S/C20H16N2O2S/c1-13-3-5-14(6-4-13)17-11-25-19-18(17)21-12-22(20(19)23)15-7-9-16(24-2)10-8-15/h3-12H,1-2H3","""AuxInfo=1/0/N:19,1,17,20,16,21,5,24,4,25,13,8,18,15,6,3,14,10,11,22,9,7,23,2,12/E:(3,4)(5,6)(7,8)(9,10)/rA:25COCCCCNCNCCSCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;d15;s16;d17;s18;s18;s15d20;s7s11;d22;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887978,PATENT:US9260448B2,2016.0,PATENT:US9260448B2,2016,1,0,0,0,0,,=,  6.180,6.18,0.0,0.0,1.0,6.18,0.0
-ZQWKDXJJJNQPEE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3985765,CCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F,ZQWKDXJJJNQPEE,ZQWKDXJJJNQPEE-UHFFFAOYSA-N,"InChI=1S/C24H24F4N4O/c1-2-32-10-9-31(14-22(32)24(26,27)28)13-15-3-8-18-19(16-4-6-17(25)7-5-16)12-21(23(29)33)30-20(18)11-15/h3-8,11-12,22H,2,9-10,13-14H2,1H3,(H2,29,33)","""AuxInfo=1/1/N:1,2,9,14,19,15,18,10,5,4,27,20,7,28,8,13,16,11,12,26,21,29,22,30,17,31,32,33,23,25,6,3,24/E:(4,5)(6,7)(26,27,28)/rA:33CCNCCNCCCCCCCCCCFCCCCCNONCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s16;s13d18;d12;s20;s21;s22;d22;d21;s11s25;s8d26;s6;s3s28;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.180,7.18,0.0,0.0,1.0,7.18,0.0
-ZQWSANGUYJQYAT_on_P41594_WT,High,ChEMBL30,CHEMBL1682794,O=C1CCc2c1ccc(C#Cc1ccccc1)c2,ZQWSANGUYJQYAT,ZQWSANGUYJQYAT-UHFFFAOYSA-N,"InChI=1S/C17H12O/c18-17-11-9-15-12-14(8-10-16(15)17)7-6-13-4-2-1-3-5-13/h1-5,8,10,12H,9,11H2","""AuxInfo=1/0/N:15,14,16,13,17,11,10,8,4,7,3,18,12,9,5,6,2,1/E:(2,3)(4,5)/rA:18OCCCCCCCCCCCCCCCCC/rB:d1;s2;s3;s4;s2d5;s6;d7;s8;s9;t10;s11;d12;s13;d14;s15;s12d16;s5d9;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1685174,PMID:21295468,2011.0,PMID:21295468,2011,0,1,0,0,0,,=,  6.290;  6.290,6.29,0.0,0.0,2.0,6.29,0.0
-ZQWZTGULGCIKLX_on_P14867_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850,6.85,0.0,0.0,1.0,6.85,0.0
-ZQWZTGULGCIKLX_on_P18507_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL829006;CHEMBL829005;CHEMBL830421;CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850;  7.400;  8.540;  7.520,7.577000000000001,0.61,0.35200000000000004,4.0,7.46,0.335
-ZQWZTGULGCIKLX_on_P28472_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL829006;CHEMBL830420;CHEMBL829005;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  6.850;  7.520;  7.400;  8.540,7.577000000000001,0.61,0.35200000000000004,4.0,7.46,0.335
-ZQWZTGULGCIKLX_on_P31644_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.540,8.54,0.0,0.0,1.0,8.54,0.0
-ZQWZTGULGCIKLX_on_P34903_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.520,7.52,0.0,0.0,1.0,7.52,0.0
-ZQWZTGULGCIKLX_on_P47869_WT,Low,ChEMBL30,CHEMBL178242,Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1,ZQWZTGULGCIKLX,ZQWZTGULGCIKLX-UHFFFAOYSA-N,"InChI=1S/C22H21N5OS/c1-13-12-29-17(23-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,25,27,24,28,6,3,2,26,23,12,5,21,22,11,20,8,29,18,19,9,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:29CCCSCCOCNNCCCCCCCNNCCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s7;d8;s9;s10;s11;d12;s13;d14;s15;s12d16;d11;s18;s10d19;s20;s8d21;s22;s23;s24;s21s25;s26;s23s27;s2d5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.400,7.4,0.0,0.0,1.0,7.4,0.0
-ZQXPBEXLBMEQCY_on_P14867_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681637,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.050,7.05,0.0,0.0,1.0,7.05,0.0
-ZQXPBEXLBMEQCY_on_P18507_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.050;  7.380;  7.600,7.343,0.226,0.16,3.0,7.38,0.22
-ZQXPBEXLBMEQCY_on_P28472_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL681637;CHEMBL681249;CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.050;  7.380;  7.600,7.343,0.226,0.16,3.0,7.38,0.22
-ZQXPBEXLBMEQCY_on_P31644_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-ZQXPBEXLBMEQCY_on_P34903_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZQXPBEXLBMEQCY_on_P47869_WT,Low,ChEMBL30,CHEMBL56761,COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1,ZQXPBEXLBMEQCY,ZQXPBEXLBMEQCY-UHFFFAOYSA-N,"InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3","""AuxInfo=1/0/N:23,16,1,5,27,4,28,10,14,11,13,26,22,6,9,3,7,19,8,20,17,12,21,24,15,18,2,25/E:(4,5)(6,7)(8,9)(10,11)/rA:28COCCCCCCCCCNCCNCCOCCNCCNSCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s12;s9d13;s8;s15;s15;d17;s17;s19;d20;s21;s22;d22;s20s24;s7d19;s6;s3d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ZQYVBUTZQVPTGZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644385,COC(C)c1cn(C2=NCC(=O)N3CCc4c(ccnc4C4CC4)C3=C2)cn1,ZQYVBUTZQVPTGZ,ZQYVBUTZQVPTGZ-UHFFFAOYSA-N,"InChI=1S/C21H23N5O2/c1-13(28-2)17-11-25(12-24-17)19-9-18-15-5-7-22-21(14-3-4-14)16(15)6-8-26(18)20(27)10-23-19/h5,7,9,11-14H,3-4,6,8,10H2,1-2H3","""AuxInfo=1/0/N:4,1,23,24,18,15,19,14,26,10,6,27,3,22,17,16,5,25,8,11,21,20,9,28,7,13,12,2/E:(3,4)/rA:28COCCCCNCNCCONCCCCCCNCCCCCCCN/rB:s1;s2;s3;s3;d5;s6;s7;w?8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;s19;s16d20;s21;s22;s22s23;s13s17;s8w?25;s7;s5d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZRAQCZQQYYPGNQ_on_P18507_WT,Low,ChEMBL30,CHEMBL190737,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1,ZRAQCZQQYYPGNQ,ZRAQCZQQYYPGNQ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-20(15-11-7-4-8-12-15)17(19-16)14-9-5-3-6-10-14/h3-13H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,12,18,20,11,13,17,21,10,14,7,16,9,6,15,4,22,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:22CCOCOCCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-ZRAQCZQQYYPGNQ_on_P47869_WT,Low,ChEMBL30,CHEMBL190737,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1,ZRAQCZQQYYPGNQ,ZRAQCZQQYYPGNQ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-20(15-11-7-4-8-12-15)17(19-16)14-9-5-3-6-10-14/h3-13H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,12,18,20,11,13,17,21,10,14,7,16,9,6,15,4,22,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:22CCOCOCCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-ZRAQCZQQYYPGNQ_on_P47870_WT,Low,ChEMBL30,CHEMBL190737,CCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1,ZRAQCZQQYYPGNQ,ZRAQCZQQYYPGNQ-UHFFFAOYSA-N,"InChI=1S/C18H16N2O2/c1-2-22-18(21)16-13-20(15-11-7-4-8-12-15)17(19-16)14-9-5-3-6-10-14/h3-13H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,12,18,20,11,13,17,21,10,14,7,16,9,6,15,4,22,8,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:22CCOCOCCNCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s12;s9d13;s8;s15;d16;s17;d18;s19;s16d20;s6d15;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  5.190,5.19,0.0,0.0,1.0,5.19,0.0
-ZRBKYHWWZGUHGE_on_Q14833_WT,Medium,ChEMBL30,CHEMBL3891609,Clc1cccc(Oc2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)n1,ZRBKYHWWZGUHGE,ZRBKYHWWZGUHGE-UHFFFAOYSA-N,"InChI=1S/C17H11Cl2N5O/c18-11-9-10(21-17-16-12(23-24-17)3-2-8-20-16)6-7-13(11)25-15-5-1-4-14(19)22-15/h1-9H,(H2,21,23,24)","""AuxInfo=1/1/N:4,17,18,3,5,10,9,16,22,11,23,19,8,2,6,14,13,24,1,15,12,25,20,21,7/rA:25ClCCCCCOCCCCNCCNCCCCNNCCClN/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;d17;s14s18;d19;s13s20;s11;s8d22;s23;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887397,PATENT:US9163015B2,2015.0,PATENT:US9163015B2,2015,0,1,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-ZRBNLIHXVISUQQ_on_O15399_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_O60391_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRBNLIHXVISUQQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL41341,O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O,ZRBNLIHXVISUQQ,ZRBNLIHXVISUQQ-UHFFFAOYSA-N,"InChI=1S/C9H4Cl2N2O4/c10-4-1-3-6(2-5(4)11)12-9(15)7(8(3)14)13(16)17/h1-2H,(H2,12,14,15)","""AuxInfo=1/1/N:14,9,7,12,10,8,4,5,16,13,11,15,2,6,17,1,3/E:(16,17)/CRV:13.5/rA:17ON+O-CCOCCCCClCClCNCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;s12;s7d12;s8;s4d15;s16;/rC:;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZRCPJFACEZIVJT_on_P41594_WT,High,ChEMBL30,CHEMBL1290786,O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1,ZRCPJFACEZIVJT,ZRCPJFACEZIVJT-UHFFFAOYSA-N,"InChI=1S/C19H20ClFN2O2/c20-17-12-16(21)6-7-18(17)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2","""AuxInfo=1/0/N:9,8,10,7,11,18,17,14,24,13,25,21,5,3,6,19,22,16,2,23,20,15,12,1,4/E:(2,3)(4,5)(8,9)(10,11)/rA:25OCCOCCCCCCCNCCNCCCCFCCClCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;s9;s6d10;s2;s12;s13;s14;s15;d16;s17;d18;s19;s19;s16d21;s22;s15;s12s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1292204,PMID:21067920,2010.0,PMID:21067920,2010,0,1,0,0,0,,=,  6.570,6.57,0.0,0.0,1.0,6.57,0.0
-ZREKQGANSVVZCG_on_P41594_WT,High,ChEMBL30,CHEMBL3702449,CCCc1cccc2c1CCN1C(=O)CNC(n3cnc(C)c3)C=C21,ZREKQGANSVVZCG,ZREKQGANSVVZCG-UHFFFAOYSA-N,"InChI=1S/C20H24N4O/c1-3-5-15-6-4-7-17-16(15)8-9-24-18(17)10-19(21-11-20(24)25)23-12-14(2)22-13-23/h4,6-7,10,12-13,19,21H,3,5,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,22,2,6,3,5,7,10,11,24,15,23,19,21,4,9,8,25,17,13,16,20,18,12,14/rA:25CCCCCCCCCCCNCOCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;s21;s18d21;s17;s8s12w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-ZREKQGANSVVZCG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702449,CCCc1cccc2c1CCN1C(=O)CNC(n3cnc(C)c3)C=C21,ZREKQGANSVVZCG,ZREKQGANSVVZCG-UHFFFAOYSA-N,"InChI=1S/C20H24N4O/c1-3-5-15-6-4-7-17-16(15)8-9-24-18(17)10-19(21-11-20(24)25)23-12-14(2)22-13-23/h4,6-7,10,12-13,19,21H,3,5,8-9,11H2,1-2H3","""AuxInfo=1/0/N:1,22,2,6,3,5,7,10,11,24,15,23,19,21,4,9,8,25,17,13,16,20,18,12,14/rA:25CCCCCCCCCCCNCOCNCNCNCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;s21;s18d21;s17;s8s12w?24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-ZRFIENOINCBMSZ_on_O15399_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_O60391_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFIENOINCBMSZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL79509,N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12,ZRFIENOINCBMSZ,ZRFIENOINCBMSZ-UHFFFAOYSA-N,"InChI=1S/C21H17N3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H3,22,23,24)","""AuxInfo=1/1/N:10,21,11,22,6,17,9,20,7,18,12,23,5,16,8,19,13,24,4,15,2,1,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(23,24)/rA:24NCNCCCCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s4s8d12;s2;s14;d15;s16;d17;s18;d19;s20;d21;s22;s15s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL763611,PMID:1975275,1990.0,PMID:1975275,1990,1,0,0,0,0,,=,  6.870,6.87,0.0,0.0,1.0,6.87,0.0
-ZRFISPQYTJPJAY_on_P41594_WT,Medium,ChEMBL30,CHEMBL3945135,COC1(c2ccc(C#Cc3ccccc3)cn2)CC(C)(C)N(C)C1=O,ZRFISPQYTJPJAY,ZRFISPQYTJPJAY-UHFFFAOYSA-N,"InChI=1S/C21H22N2O2/c1-20(2)15-21(25-4,19(24)23(20)3)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3","""AuxInfo=1/0/N:20,21,23,1,13,12,14,11,15,9,8,6,5,16,18,10,7,4,24,19,3,17,22,25,2/E:(1,2)(6,7)(8,9)/rA:25COCCCCCCCCCCCCCCNCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s10d14;s7;s4d16;s3;s18;s19;s19;s19;s22;s3s22;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3887717,PATENT:US9212171B2,2015.0,PATENT:US9212171B2,2015,0,1,0,0,0,,=,  7.020,7.02,0.0,0.0,1.0,7.02,0.0
-ZRFRSIPNAPDWAY_on_P41594_WT,High,ChEMBL30,CHEMBL3655597,Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)c1,ZRFRSIPNAPDWAY,ZRFRSIPNAPDWAY-UHFFFAOYSA-N,"InChI=1S/C17H14N4O2/c1-12-4-2-5-13(8-12)17(22)21-15-6-3-7-16(20-15)23-14-9-18-11-19-10-14/h2-11H,1H3,(H,20,21,22)","""AuxInfo=1/1/N:1,4,12,3,5,11,13,23,17,21,19,2,6,16,10,14,7,18,20,22,9,8,15/E:(9,10)(18,19)/rA:23CCCCCCCONCCCCCOCCNCNCNC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;d10;s11;d12;s13;s14;s15;d16;s17;d18;s19;s16d20;s10d14;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,=,  7.060,7.06,0.0,0.0,1.0,7.06,0.0
-ZRHJFOQMTHUEKL_on_P14867_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1638613,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-ZRHJFOQMTHUEKL_on_P18507_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1638613;CHEMBL1638614;CHEMBL1638615;CHEMBL1638616,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.410;  7.270;  6.760;  6.340,6.695,0.368,0.213,4.0,6.585,0.21
-ZRHJFOQMTHUEKL_on_P28472_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1638616;CHEMBL1638614;CHEMBL1638615,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.340;  7.270;  6.760,6.79,0.38,0.26899999999999996,3.0,6.76,0.42
-ZRHJFOQMTHUEKL_on_P31644_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1638616,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.340,6.34,0.0,0.0,1.0,6.34,0.0
-ZRHJFOQMTHUEKL_on_P34903_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL1638615,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.760,6.76,0.0,0.0,1.0,6.76,0.0
-ZRHJFOQMTHUEKL_on_P47869_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1638614,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  7.270,7.27,0.0,0.0,1.0,7.27,0.0
-ZRHJFOQMTHUEKL_on_P47870_WT,Low,ChEMBL30,CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N,ZRHJFOQMTHUEKL,ZRHJFOQMTHUEKL-UHFFFAOYSA-N,"InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)","""AuxInfo=1/1/N:1,2,25,19,24,26,3,18,20,13,23,21,12,14,11,27,28,10,7,5,15,29,22,4,9,8,17,6,16/E:(8,9)/rA:29CCCNCOCNNCCCCCCONCCCCNCCCCCCN/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s11;d12;s13;s14;d15;s15;s17;s18;s17s19;d14;s21;s12d22;d11;s24;d25;s10s26;s7d27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1638613,PMID:20980155,2010.0,PMID:20980155,2010,0,1,0,0,0,,=,  6.410,6.41,0.0,0.0,1.0,6.41,0.0
-ZRKQHHNVLRRZFQ_on_O00591_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_O14764_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P14867_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P18505_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P18507_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P28472_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P31644_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P34903_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P47869_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P47870_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P48169_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_P78334_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_Q16445_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRKQHHNVLRRZFQ_on_Q99928_WT,Low,ChEMBL30,CHEMBL298837,O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2,ZRKQHHNVLRRZFQ,ZRKQHHNVLRRZFQ-UHFFFAOYSA-N,InChI=1S/C15H8ClFO2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H,"""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,7,16,14,2,13,4,8,17,1,12/rA:19OCCCCCCClCCCOCCCCFCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.700,6.7,0.0,0.0,1.0,6.7,0.0
-ZRNZCYYJCCIJJN_on_P31644_WT,High,ChEMBL30,CHEMBL3681533,Cc1c(COc2ccc(C(=O)N(C)S(=O)(=O)C3CC3)cn2)c(-c2ccccc2)no1,ZRNZCYYJCCIJJN,ZRNZCYYJCCIJJN-UHFFFAOYSA-N,"InChI=1S/C21H21N3O5S/c1-14-18(20(23-29-14)15-6-4-3-5-7-15)13-28-19-11-8-16(12-22-19)21(25)24(2)30(26,27)17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3","""AuxInfo=1/0/N:1,13,26,25,27,24,28,8,18,19,7,20,4,2,23,9,17,3,6,22,10,21,29,12,11,15,16,5,30,14/E:(4,5)(6,7)(9,10)(26,27)/CRV:30.6/rA:30CCCCOCCCCCONCSOOCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s12;d14;d14;s14;s17;s17s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.430,7.43,0.0,0.0,1.0,7.43,0.0
-ZROLETFFKMIVMZ_on_O00591_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_O14764_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_P14867_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL822162;CHEMBL678329;CHEMBL1273615;CHEMBL650075,PMID:9435905,1997.0,PMID:9651158;PMID:10633039;PMID:20888240;PMID:9435905,1998;2000;2010;1997,0;0;0;1,0,0,1;1;1;0,0,,=,  6.080;  6.080;  6.080;  6.000,6.06,0.035,0.02,4.0,6.08,0.0
-ZROLETFFKMIVMZ_on_P18505_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_P18507_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273616;CHEMBL1273620;CHEMBL650075;CHEMBL1273615;CHEMBL1273617;CHEMBL1273619;CHEMBL822162;CHEMBL678329,PMID:9435905,1997.0,PMID:20888240;PMID:20888240;PMID:9435905;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9651158;PMID:10633039,2010;2010;1997;2010;2010;2010;1998;2000,0;0;1;0;0;0;0;0,0,0,1;1;0;1;1;1;1;1,0,,=,  5.520;  5.000;  6.000;  6.080;  5.520;  5.000;  6.080;  6.080,5.66,0.441,0.16699999999999998,8.0,5.76,0.32
-ZROLETFFKMIVMZ_on_P28472_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273615;CHEMBL1273617;CHEMBL1273619;CHEMBL1273620;CHEMBL1273616;CHEMBL822162;CHEMBL650075;CHEMBL678329,PMID:9435905,1997.0,PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:20888240;PMID:9651158;PMID:9435905;PMID:10633039,2010;2010;2010;2010;2010;1998;1997;2000,0;0;0;0;0;0;1;0,0,0,1;1;1;1;1;1;0;1,0,,=,  6.080;  5.520;  5.000;  5.000;  5.520;  6.080;  6.000;  6.080,5.66,0.441,0.16699999999999998,8.0,5.76,0.32
-ZROLETFFKMIVMZ_on_P31644_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619;CHEMBL650075,PMID:9435905,1997.0,PMID:20888240;PMID:9435905,2010;1997,0;1,0,0,1;0,0,,=,  5.000;  6.000,5.5,0.5,0.5,2.0,5.5,0.5
-ZROLETFFKMIVMZ_on_P34903_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650075;CHEMBL1273617,PMID:9435905,1997.0,PMID:9435905;PMID:20888240,1997;2010,1;0,0,0,0;1,0,,=,  6.000;  5.520,5.76,0.24,0.24,2.0,5.76,0.24
-ZROLETFFKMIVMZ_on_P47869_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650075;CHEMBL1273616,PMID:9435905,1997.0,PMID:9435905;PMID:20888240,1997;2010,1;0,0,0,0;1,0,,=,  6.000;  5.520,5.76,0.24,0.24,2.0,5.76,0.24
-ZROLETFFKMIVMZ_on_P47870_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_P48169_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_P78334_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZROLETFFKMIVMZ_on_Q16445_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650075;CHEMBL1273620,PMID:9435905,1997.0,PMID:9435905;PMID:20888240,1997;2010,1;0,0,0,0;1,0,,=,  6.000;  5.000,5.5,0.5,0.5,2.0,5.5,0.5
-ZROLETFFKMIVMZ_on_Q99928_WT,Low,ChEMBL30,CHEMBL87331,c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1,ZROLETFFKMIVMZ,ZROLETFFKMIVMZ-UHFFFAOYSA-N,"InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2","""AuxInfo=1/0/N:1,2,21,15,16,3,20,14,17,19,9,5,4,13,18,12,10,7,8,11,6/E:(2,3)(6,7)/rA:21CCCCCOCNCCNCCCCCCCCCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s10s13;s7d18;s4;s1d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650075,PMID:9435905,1997.0,PMID:9435905,1997,1,0,0,0,0,,=,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZRPDPKYZSUQWJP_on_O15399_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_O60391_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_Q05586_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_Q12879_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_Q13224_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPDPKYZSUQWJP_on_Q14957_WT,Low,ChEMBL30,CHEMBL298284,Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1,ZRPDPKYZSUQWJP,ZRPDPKYZSUQWJP-UHFFFAOYSA-N,"InChI=1S/C9H7N3O4/c1-4-2-5-7(6(3-4)12(15)16)11-9(14)8(13)10-5/h2-3H,1H3,(H,10,13)(H,11,14)","""AuxInfo=1/1/N:1,3,16,2,4,12,5,9,7,11,6,13,10,8,14,15/E:(15,16)/CRV:12.5/rA:16CCCCCNCOCONCN+OO-C/rB:s1;d2;s3;d4;s5;d6;s7;s7;s9;s4d9;s5;s12;d13;s13;s2d12;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.030,5.03,0.0,0.0,1.0,5.03,0.0
-ZRPUPUBWCXFOCY_on_O00591_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_O14764_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P14867_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P18505_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P18507_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P28472_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P31644_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P34903_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P47869_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P47870_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P48169_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_P78334_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_Q16445_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRPUPUBWCXFOCY_on_Q99928_WT,Low,ChEMBL30,CHEMBL329804,O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2,ZRPUPUBWCXFOCY,ZRPUPUBWCXFOCY-UHFFFAOYSA-N,"InChI=1S/C15H15F2N3O2/c16-8-6-9(17)13-11(7-8)19-15(22-13)20-12-5-3-1-2-4-10(12)18-14(20)21/h6-7,10,12H,1-5H2,(H,18,21)","""AuxInfo=1/1/N:7,6,8,5,9,19,22,20,17,4,14,10,15,2,12,21,18,3,13,11,1,16/rA:22OCNCCCCCCCNCNCCOCFCCFC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s4s9;s2s10;s11;d12;s13;d14;s12s15;s15;s17;d17;s19;s20;s14d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL650073,PMID:11133077,2000.0,PMID:11133077,2000,0,0,0,1,0,,=,  8.150,8.15,0.0,0.0,1.0,8.15,0.0
-ZRRFNKLAOMQOSE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3920253,O=C1C2CCCC2N1c1ccc(C#Cc2ccccc2)cn1,ZRRFNKLAOMQOSE,ZRRFNKLAOMQOSE-UHFFFAOYSA-N,"InChI=1S/C19H16N2O/c22-19-16-7-4-8-17(16)21(19)18-12-11-15(13-20-18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,16-17H,4,7-8H2","""AuxInfo=1/0/N:18,17,19,5,16,20,4,6,14,13,11,10,21,15,12,3,7,9,2,22,8,1/E:(2,3)(5,6)/rA:22OCCCCCCNCCCCCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s3s6;s2s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-ZRRVSALMQDOQAX_on_O00591_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_O14764_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P14867_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P18505_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P18507_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P28472_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P31644_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P34903_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P47869_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P47870_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P48169_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_P78334_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_Q16445_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRRVSALMQDOQAX_on_Q99928_WT,Low,ChEMBL30,CHEMBL191088,COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1,ZRRVSALMQDOQAX,ZRRVSALMQDOQAX-UHFFFAOYSA-N,"InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)","""AuxInfo=1/1/N:1,5,23,18,4,24,19,15,6,16,3,13,14,7,21,10,17,12,8,20,9,22,11,2/E:(2,3)(5,6)/rA:24COCCCCCNNCONCCCCClCCNCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;d10;s10;s12;d13;s14;d15;s16;s16;s13d18;s9s14;s7s20;d21;s6;s3d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL839964,PMID:15828832,2005.0,PMID:15828832,2005,0,0,0,1,0,,=,  8.220,8.22,0.0,0.0,1.0,8.22,0.0
-ZRSAWCDQLNQOMF_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL258293;44452995,Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2ccccc2F)n1,ZRSAWCDQLNQOMF,ZRSAWCDQLNQOMF-UHFFFAOYSA-N,"InChI=1S/C21H18FN3O2/c1-15-13-25-14-17(21(26)24-8-10-27-11-9-24)12-20(25)19(23-15)7-6-16-4-2-3-5-18(16)22/h2-5,12-14H,8-11H2,1H3","""AuxInfo=1/0/N:1,22,23,21,24,19,18,10,14,11,13,15,3,5,2,20,6,25,17,16,7,26,27,9,4,8,12/E:(8,9)(10,11)/rA:27CCCNCCCONCCOCCCCCCCCCCCCCFN/rB:s1;d2;s3;s4;d5;s6;d7;s7;s9;s10;s11;s12;s9s13;s6;s4d15;s16;s17;t18;s19;d20;s21;d22;s23;s20d24;s25;s2d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506;PubChemAID:319891,PMID:18304814,2008.0,PMID:18304814;PubChemAID:319891,2008;2010,1;0,0,0,0,0;1,,=,  6.900;  6.900,6.9,0.0,0.0,2.0,6.9,0.0
-ZRTAKZQCHCQFAB_on_P14867_WT,Low,ChEMBL30,CHEMBL292402,CC(C)c1c(O)c(C(C)C)cc(Cl)c1,ZRTAKZQCHCQFAB,ZRTAKZQCHCQFAB-UHFFFAOYSA-N,"InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCClC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL821856;CHEMBL822800,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  5.000;  4.420,4.71,0.29,0.29,2.0,4.71,0.29
-ZRTAKZQCHCQFAB_on_P18505_WT,Low,ChEMBL30,CHEMBL292402,CC(C)c1c(O)c(C(C)C)cc(Cl)c1,ZRTAKZQCHCQFAB,ZRTAKZQCHCQFAB-UHFFFAOYSA-N,"InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCClC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL822800;CHEMBL821856,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.420;  5.000,4.71,0.29,0.29,2.0,4.71,0.29
-ZRTAKZQCHCQFAB_on_P18507_WT,Low,ChEMBL30,CHEMBL292402,CC(C)c1c(O)c(C(C)C)cc(Cl)c1,ZRTAKZQCHCQFAB,ZRTAKZQCHCQFAB-UHFFFAOYSA-N,"InChI=1S/C12H17ClO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3","""AuxInfo=1/0/N:1,3,9,10,14,11,2,8,12,4,7,5,13,6/E:(1,2,3,4)(5,6)(7,8)(10,11)/rA:14CCCCCOCCCCCCClC/rB:s1;s2;s2;d4;s5;s5;s7;s8;s8;d7;s11;s12;s4d12;/rC:;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL822800;CHEMBL821856,PMID:9599235,1998.0,PMID:9599235,1998,0,1,0,0,0,,=,  4.420;  5.000,4.71,0.29,0.29,2.0,4.71,0.29
-ZRUCBARHGRYQAA_on_P31644_WT,High,ChEMBL30,CHEMBL3676474,Cc1c(COc2ccc(C(=O)NCc3ccccn3)cn2)c(-c2ccccc2)no1,ZRUCBARHGRYQAA,ZRUCBARHGRYQAA-UHFFFAOYSA-N,"InChI=1S/C23H20N4O3/c1-16-20(22(27-30-16)17-7-3-2-4-8-17)15-29-21-11-10-18(13-25-21)23(28)26-14-19-9-5-6-12-24-19/h2-13H,14-15H2,1H3,(H,26,28)","""AuxInfo=1/1/N:1,26,25,27,16,17,24,28,15,8,7,18,20,13,4,2,23,9,14,3,6,22,10,19,21,12,29,11,5,30/E:(3,4)(7,8)/rA:30CCCCOCCCCCONCCCCCCNCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.340,8.34,0.0,0.0,1.0,8.34,0.0
-ZRURMLHGCOJTNX_on_Q14416_WT,High,ChEMBL30,CHEMBL1630805,O=C(Nc1ccc(Cl)cc1)C12CC1C(=NO)c1c(cccc1)O2,ZRURMLHGCOJTNX,ZRURMLHGCOJTNX-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)","""AuxInfo=1/1/N:21,20,22,19,6,9,5,10,12,7,4,17,13,18,14,2,11,8,3,15,1,16,23/E:(5,6)(7,8)/rA:23OCNCCCCClCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s11s12;s13;w?14;s15;s14;d17;s18;d19;s20;s17d21;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1632948;CHEMBL1632947,PMID:21105727,2010.0,PMID:21105727,2010,1;0,0,0,0;1,0,,=,  6.100;  6.000,6.05,0.05,0.05,2.0,6.05,0.05
-ZRURMLHGCOJTNX_on_Q14832_WT,High,ChEMBL30,CHEMBL1630805,O=C(Nc1ccc(Cl)cc1)C12CC1C(=NO)c1c(cccc1)O2,ZRURMLHGCOJTNX,ZRURMLHGCOJTNX-UHFFFAOYSA-N,"InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)","""AuxInfo=1/1/N:21,20,22,19,6,9,5,10,12,7,4,17,13,18,14,2,11,8,3,15,1,16,23/E:(5,6)(7,8)/rA:23OCNCCCCClCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s11s12;s13;w?14;s15;s14;d17;s18;d19;s20;s17d21;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,CHEMBL1632951,PMID:21105727,2010.0,PMID:21105727,2010,0,1,0,0,0,,=,  4.870,4.87,0.0,0.0,1.0,4.87,0.0
-ZRZOZCBSSVQEGD_on_P14867_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.680,7.68,0.0,0.0,1.0,7.68,0.0
-ZRZOZCBSSVQEGD_on_P18507_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL830420;CHEMBL829005;CHEMBL829006;CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.390;  7.140;  7.680;  8.130,7.585,0.368,0.213,4.0,7.535,0.27
-ZRZOZCBSSVQEGD_on_P28472_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL830421;CHEMBL830420;CHEMBL829005;CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.130;  7.390;  7.140;  7.680,7.585,0.368,0.213,4.0,7.535,0.27
-ZRZOZCBSSVQEGD_on_P31644_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  8.130,8.13,0.0,0.0,1.0,8.13,0.0
-ZRZOZCBSSVQEGD_on_P34903_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-ZRZOZCBSSVQEGD_on_P47869_WT,Low,ChEMBL30,CHEMBL359613,CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1,ZRZOZCBSSVQEGD,ZRZOZCBSSVQEGD-UHFFFAOYSA-N,"InChI=1S/C26H25N5O2/c1-30(20-10-6-3-7-11-20)21(32)16-33-26-23-18-14-12-17(13-15-18)22(23)25-28-27-24(31(25)29-26)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3","""AuxInfo=1/0/N:1,14,31,13,15,30,32,12,16,29,33,24,26,23,27,5,25,22,11,28,3,20,21,10,19,7,17,18,8,2,9,4,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33CNCOCOCNNCCCCCCCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;d10;s17;s9d18;s19;s7d20;s21;s22;s23;s20s24;s25;s22s26;s2;d28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,=,  7.140,7.14,0.0,0.0,1.0,7.14,0.0
-ZSBBASZUYKREPU_on_P41594_WT,High,ChEMBL30,CHEMBL2011877,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Br)cc1,ZSBBASZUYKREPU,ZSBBASZUYKREPU-UHFFFAOYSA-N,"InChI=1S/C15H15BrN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCBrCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2016181,PMID:22386665,2012.0,PMID:22386665,2012,1,0,0,0,0,,=,  6.140,6.14,0.0,0.0,1.0,6.14,0.0
-ZSBBASZUYKREPU_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,67182239;CHEMBL2011877,Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Br)cc1,ZSBBASZUYKREPU,ZSBBASZUYKREPU-UHFFFAOYSA-N,"InChI=1S/C15H15BrN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)","""AuxInfo=1/1/N:10,1,15,20,16,19,8,9,2,14,17,7,13,5,3,18,4,12,6,11/E:(3,4)(5,6)/rA:20CCCNCOCCCCSNCCCCCBrCC/rB:s1;d2;s3;s4;d5;s5;s7;s7s8;s9;s3;s11;s2d12;s13;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:652689;CHEMBL2016180,PMID:22386665,2012.0,PubChemAID:652689;PMID:22386665,2013;2012,0;1,0,0,0,1;0,,=,  8.155;  8.150,8.152000000000001,0.002,0.002,2.0,8.152000000000001,0.002
-ZSBRNBKGSNMERU_on_P41594_WT,High,ChEMBL30,CHEMBL3601904,Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C(C)(C)C)cn2)cn1,ZSBRNBKGSNMERU,ZSBRNBKGSNMERU-UHFFFAOYSA-N,"InChI=1S/C20H22ClN5OS/c1-12-5-6-14(11-23-12)25-17-15(21)9-13(10-24-17)16(20(2,3)4)26-18(27)19-22-7-8-28-19/h5-11,16H,1-4H3,(H,24,25)(H,26,27)","""AuxInfo=1/1/N:1,22,23,24,3,4,18,19,10,25,27,2,11,5,8,12,7,14,16,21,9,17,28,26,6,13,15,20/E:(2,3,4)/rA:28CCCCCNCCClCCCNCOCNCCSCCCCCNCN/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;s12;s21;s21;s21;s11;s7d25;s5;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3603016,PMID:26112438,2015.0,PMID:26112438,2015,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ZSBXGUSZFWRANX_on_P41594_WT,High,ChEMBL30,CHEMBL3603922,N#Cc1cc(-c2cc(-c3ncc(F)cc3)ncn2)cc(C#N)c1,ZSBXGUSZFWRANX,ZSBXGUSZFWRANX-UHFFFAOYSA-N,"InChI=1S/C17H8FN5/c18-14-1-2-15(21-9-14)17-6-16(22-10-23-17)13-4-11(7-19)3-12(5-13)8-20/h1-6,9-10H","""AuxInfo=1/0/N:14,15,23,4,19,7,2,21,11,17,3,20,5,12,9,6,8,13,1,22,10,18,16/E:(4,5)(7,8)(11,12)(19,20)/rA:23NCCCCCCCCNCCFCCNCNCCCNC/rB:t1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s12;s9d14;d8;s16;s6d17;d5;s19;s20;t21;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3606566;CHEMBL3606567,PMID:26225459,2015.0,PMID:26225459,2015,0;1,0,0,1;0,0,,=,  8.800;  8.600,8.7,0.1,0.1,2.0,8.7,0.1
-ZSEDMNMFODMQRD_on_P14867_WT,Low,ChEMBL30,CHEMBL475022,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21,ZSEDMNMFODMQRD,ZSEDMNMFODMQRD-UHFFFAOYSA-N,"InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,26,3,7,10,6,18,9,19,20,15,16,25,27,21,22/rA:27CCCCCCCCCCCCCCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL4403739,PMID:27933953,2016.0,PMID:31738537,2020,0,0,0,1,0,,=,  6.520,6.52,0.0,0.0,1.0,6.52,0.0
-ZSEDMNMFODMQRD_on_P18507_WT,Low,ChEMBL30,CHEMBL475022,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21,ZSEDMNMFODMQRD,ZSEDMNMFODMQRD-UHFFFAOYSA-N,"InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,26,3,7,10,6,18,9,19,20,15,16,25,27,21,22/rA:27CCCCCCCCCCCCCCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL4403742;CHEMBL4403741;CHEMBL4042549;CHEMBL4042549;CHEMBL4403739,PMID:27933953,2016.0,PMID:31738537;PMID:31738537;PMID:27933953;PMID:27933953;PMID:31738537,2020;2020;2016;2016;2020,0,0;0;1;1;0,0,1;1;0;0;1,0,,=,  7.090;  6.280;  5.930;  6.070;  6.520,6.377999999999999,0.408,0.204,5.0,6.28,0.24
-ZSEDMNMFODMQRD_on_P28472_WT,Low,ChEMBL30,CHEMBL475022,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21,ZSEDMNMFODMQRD,ZSEDMNMFODMQRD-UHFFFAOYSA-N,"InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,26,3,7,10,6,18,9,19,20,15,16,25,27,21,22/rA:27CCCCCCCCCCCCCCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL4042549;CHEMBL4403739;CHEMBL4042549;CHEMBL4403742;CHEMBL4403741,PMID:27933953,2016.0,PMID:27933953;PMID:31738537;PMID:27933953;PMID:31738537;PMID:31738537,2016;2020;2016;2020;2020,0,1;0;1;0;0,0,0;1;0;1;1,0,,=,  5.930;  6.520;  6.070;  7.090;  6.280,6.377999999999999,0.408,0.204,5.0,6.28,0.24
-ZSEDMNMFODMQRD_on_P31644_WT,Low,ChEMBL30,CHEMBL475022,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21,ZSEDMNMFODMQRD,ZSEDMNMFODMQRD-UHFFFAOYSA-N,"InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,26,3,7,10,6,18,9,19,20,15,16,25,27,21,22/rA:27CCCCCCCCCCCCCCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL4403742,PMID:31738537,2020.0,PMID:31738537,2020,0,0,0,1,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-ZSEDMNMFODMQRD_on_P34903_WT,Low,ChEMBL30,CHEMBL475022,C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21,ZSEDMNMFODMQRD,ZSEDMNMFODMQRD-UHFFFAOYSA-N,"InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3","""AuxInfo=1/0/N:1,24,2,23,12,13,11,4,5,14,8,17,26,3,7,10,6,18,9,19,20,15,16,25,27,21,22/rA:27CCCCCCCCCCCCCCNNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;s9;d10;s11;d12;s13;s10d14;w?9;s16;s17;d18;s19;d20;s20;s22;s23;s19;d25;s6s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL4403741;CHEMBL4042549;CHEMBL4042549,PMID:27933953,2016.0,PMID:31738537;PMID:27933953;PMID:27933953,2020;2016;2016,0,0;1;1,0,1;0;0,0,,=,  6.280;  5.930;  6.070,6.093,0.14400000000000002,0.102,3.0,6.07,0.14
-ZSIMYOZDODKNHZ_on_P31644_WT,High,ChEMBL30,CHEMBL3676541,Cc1c(COc2ccc(C(=O)NC3CC3)cn2)c(-c2cccc(F)c2)no1,ZSIMYOZDODKNHZ,ZSIMYOZDODKNHZ-UHFFFAOYSA-N,"InChI=1S/C20H18FN3O3/c1-12-17(19(24-27-12)13-3-2-4-15(21)9-13)11-26-18-8-5-14(10-22-18)20(25)23-16-6-7-16/h2-5,8-10,16H,6-7,11H2,1H3,(H,23,25)","""AuxInfo=1/1/N:1,21,20,22,8,14,15,7,25,16,4,2,19,9,23,13,3,6,18,10,24,17,12,26,11,5,27/E:(6,7)/rA:27CCCCOCCCCCONCCCCNCCCCCCFCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s13s14;s9;s6d16;s3;s18;d19;s20;d21;s22;s23;s19d23;d18;s2s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.380,7.38,0.0,0.0,1.0,7.38,0.0
-ZSMMIFLQOYXMOO_on_Q14416_WT,High,ChEMBL30,CHEMBL2152109,N#Cc1c(-c2cc(Cl)c(N3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12,ZSMMIFLQOYXMOO,ZSMMIFLQOYXMOO-UHFFFAOYSA-N,"InChI=1S/C20H16ClF3N4O/c21-17-9-13(1-2-18(17)27-5-7-29-8-6-27)15-3-4-28-14(10-20(22,23)24)12-26-19(28)16(15)11-25/h1-4,9,12H,5-8,10H2","""AuxInfo=1/0/N:17,16,18,19,11,15,12,14,6,22,2,27,5,21,4,3,7,9,29,23,8,24,25,26,1,28,10,20,13/E:(5,6)(7,8)(22,23,24)/rA:29NCCCCCCClCNCCOCCCCCCNCCCFFFCNC/rB:t1;s2;d3;s4;d5;s6;s7;d7;s9;s10;s11;s12;s13;s10s14;s9;s5d16;s4;d18;s19;s20;s21;s22;s23;s23;s23;d21;s27;s3s20d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2156244,PMID:22352782,2012.0,PMID:22352782,2012,0,1,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-ZSPNRUJCFZDUPV_on_Q14833_WT,High,ChEMBL30,CHEMBL4082573,CC(=O)N1CCC(Oc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1,ZSPNRUJCFZDUPV,ZSPNRUJCFZDUPV-UHFFFAOYSA-N,"InChI=1S/C23H22N4O4/c1-15(28)26-9-6-17(7-10-26)30-18-4-5-22-19(12-18)20(25-29)13-23(31-22)21-11-16-3-2-8-27(16)14-24-21/h2-5,8,11-14,17,29H,6-7,9-10H2,1H3","""AuxInfo=1/0/N:1,19,18,10,11,6,30,20,5,31,16,29,24,22,2,17,7,9,28,25,15,12,14,23,26,4,21,3,27,8,13/E:(6,7)(9,10)/rA:31CCONCCCOCCCCOCCCCCCCNCNCCNOCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;s21;s15d22;d14;s24;w?25;s26;s12s25;s9d28;s7;s4s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  8.000,8.0,0.0,0.0,1.0,8.0,0.0
-ZSQDQUNOCBGSLV_on_P31644_WT,High,ChEMBL30,CHEMBL3681522,Cc1c(COc2ccc(C(=O)NCCCCCCO)cn2)c(-c2ccccc2)no1,ZSQDQUNOCBGSLV,ZSQDQUNOCBGSLV-UHFFFAOYSA-N,"InChI=1S/C23H27N3O4/c1-17-20(22(26-30-17)18-9-5-4-6-10-18)16-29-21-12-11-19(15-25-21)23(28)24-13-7-2-3-8-14-27/h4-6,9-12,15,27H,2-3,7-8,13-14,16H2,1H3,(H,24,28)","""AuxInfo=1/1/N:1,15,16,26,25,27,14,17,24,28,8,7,13,18,20,4,2,23,9,3,6,22,10,12,21,29,19,11,5,30/E:(5,6)(9,10)/rA:30CCCCOCCCCCONCCCCCCOCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ZSSOCOBPTRIKAZ_on_O15399_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-ZSSOCOBPTRIKAZ_on_O60391_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-ZSSOCOBPTRIKAZ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-ZSSOCOBPTRIKAZ_on_Q05586_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL872738;CHEMBL746993;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820;  9.150;  8.960,8.977,0.135,0.096,3.0,8.96,0.14
-ZSSOCOBPTRIKAZ_on_Q12879_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL872738;CHEMBL750561,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820;  8.960,8.89,0.07,0.07,2.0,8.89,0.07
-ZSSOCOBPTRIKAZ_on_Q13224_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL872738;CHEMBL746993,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820;  9.150,8.985,0.165,0.165,2.0,8.985,0.165
-ZSSOCOBPTRIKAZ_on_Q14957_WT,Low,ChEMBL30,CHEMBL274422,O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1,ZSSOCOBPTRIKAZ,ZSSOCOBPTRIKAZ-UHFFFAOYSA-N,"InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)","""AuxInfo=1/1/N:17,18,16,7,15,8,12,10,5,14,9,13,11,6,1,3,4,2/E:(15,16,17)/rA:18OPOOCOCCNCOCONCCCC/rB:d1;s2;s2;s2;s5;s5;d7;s8;d9;s10;s10;s12;d12;s8s14;d15;s16;s7d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL872738,PMID:11909726,2002.0,PMID:11909726,2002,1,0,0,0,0,,=,  8.820,8.82,0.0,0.0,1.0,8.82,0.0
-ZSSSYSCTVWUGPI_on_Q14833_WT,Low,ChEMBL30,CHEMBL479805,CCNC(=O)CCC(CC(N)C(=O)O)C(=O)O,ZSSSYSCTVWUGPI,ZSSSYSCTVWUGPI-UHFFFAOYSA-N,"InChI=1S/C10H18N2O5/c1-2-12-8(13)4-3-6(9(14)15)5-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)","""AuxInfo=1/1/N:1,2,7,6,9,8,10,4,15,12,11,3,5,16,17,13,14/E:(14,15)(16,17)/rA:17CCNCOCCCCCNCOOCOO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s10;d12;s12;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1013093,PMID:18578478,2008.0,PMID:18578478,2008,0,1,0,0,0,,<,  4.000,4.0,0.0,0.0,1.0,4.0,0.0
-ZSWDNCJKCGDTKT_on_P14867_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.300,6.3,0.0,0.0,1.0,6.3,0.0
-ZSWDNCJKCGDTKT_on_P18507_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620;  6.300,6.46,0.16,0.16,2.0,6.46,0.16
-ZSWDNCJKCGDTKT_on_P28472_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL678745;CHEMBL676826,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620;  6.300,6.46,0.16,0.16,2.0,6.46,0.16
-ZSWDNCJKCGDTKT_on_P31644_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL678745,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-ZSWDNCJKCGDTKT_on_P34903_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL678741,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZSWDNCJKCGDTKT_on_P47869_WT,Low,ChEMBL30,CHEMBL297958,CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2,ZSWDNCJKCGDTKT,ZSWDNCJKCGDTKT-UHFFFAOYSA-N,"InChI=1S/C23H19N5/c1-27(16-17-10-4-2-5-11-17)23-20-15-9-8-14-19(20)22-25-24-21(28(22)26-23)18-12-6-3-7-13-18/h2-15H,16H2,1H3","""AuxInfo=1/0/N:1,7,17,6,8,16,18,27,26,5,9,15,19,28,25,3,4,14,23,24,13,22,10,20,21,11,2,12/E:(4,5)(6,7)(10,11)(12,13)/rA:28CNCCCCCCCCNNCCCCCCCNNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;s12;s13;d14;s15;d16;s17;s14d18;d13;s20;s12d21;s22;s10d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681841,PMID:15027873,2004.0,PMID:15027873,2004,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZSXNKVXKIDXNPI_on_P18507_WT,Low,ChEMBL30,CHEMBL584708,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(C(=O)OCC)ncn-21,ZSXNKVXKIDXNPI,ZSXNKVXKIDXNPI-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2/c1-4-13-6-7-16-15(8-13)18-14(10-21-12(3)23-18)9-17-19(20(25)26-5-2)22-11-24(16)17/h1,6-8,10-11H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,23,14,2,22,4,5,8,16,11,25,13,3,10,7,6,17,9,18,19,12,24,15,26,20,21/rA:26CCCCCCCCCCCNCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;d19;s19;s21;s22;s18;d24;s6s17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ZSXNKVXKIDXNPI_on_P28472_WT,Low,ChEMBL30,CHEMBL584708,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(C(=O)OCC)ncn-21,ZSXNKVXKIDXNPI,ZSXNKVXKIDXNPI-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2/c1-4-13-6-7-16-15(8-13)18-14(10-21-12(3)23-18)9-17-19(20(25)26-5-2)22-11-24(16)17/h1,6-8,10-11H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,23,14,2,22,4,5,8,16,11,25,13,3,10,7,6,17,9,18,19,12,24,15,26,20,21/rA:26CCCCCCCCCCCNCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;d19;s19;s21;s22;s18;d24;s6s17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ZSXNKVXKIDXNPI_on_P31644_WT,Low,ChEMBL30,CHEMBL584708,C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(C(=O)OCC)ncn-21,ZSXNKVXKIDXNPI,ZSXNKVXKIDXNPI-UHFFFAOYSA-N,"InChI=1S/C20H16N4O2/c1-4-13-6-7-16-15(8-13)18-14(10-21-12(3)23-18)9-17-19(20(25)26-5-2)22-11-24(16)17/h1,6-8,10-11H,5,9H2,2-3H3","""AuxInfo=1/0/N:1,23,14,2,22,4,5,8,16,11,25,13,3,10,7,6,17,9,18,19,12,24,15,26,20,21/rA:26CCCCCCCCCCCNCCNCCCCOOCCNCN/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;s9d13;s10;s16;d17;s18;d19;s19;s21;s22;s18;d24;s6s17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1040216,PMID:19726184,2009.0,PMID:19726184,2009,0,0,0,1,0,,=,  8.090,8.09,0.0,0.0,1.0,8.09,0.0
-ZSYAEVYFTWZUEW_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,11195510;CHEMBL441117,Cc1nc(NC(=O)c2cccc(C)n2)ccc1,ZSYAEVYFTWZUEW,ZSYAEVYFTWZUEW-UHFFFAOYSA-N,"InChI=1S/C13H13N3O/c1-9-5-3-7-11(14-9)13(17)16-12-8-4-6-10(2)15-12/h3-8H,1-2H3,(H,15,16,17)","""AuxInfo=1/1/N:13,1,10,16,11,17,9,15,12,2,8,4,6,14,3,5,7/rA:17CCNCNCOCCCCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s12;s8d12;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:242780;CHEMBL828680,PMID:15686941,2005.0,PubChemAID:242780;PMID:15686941,2010;2005,0;1,0,0,0,1;0,,=,  7.495;  7.500,7.497999999999999,0.002,0.002,2.0,7.497999999999999,0.002
-ZTAMWONLUMEXAJ_on_Q14416_WT,High,ChEMBL30,CHEMBL3764530,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(CO)cc1)cc2,ZTAMWONLUMEXAJ,ZTAMWONLUMEXAJ-UHFFFAOYSA-N,"InChI=1S/C19H23N3O2/c1-19(2,3)12-22-16-10-9-15(20-17(16)21(4)18(22)24)14-7-5-13(11-23)6-8-14/h5-10,23H,11-12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,17,21,16,22,23,24,19,6,18,15,14,11,12,3,7,13,2,5,20,4/E:(1,2,3)(5,6)(7,8)/rA:24CNCONCCCCCCCNCCCCCCOCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;s19;s18;s15d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.740,6.74,0.0,0.0,1.0,6.74,0.0
-ZTEDNASHAWNBKQ_on_Q14833_WT,High,ChEMBL30,CHEMBL4089083,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCOCC1)cc2,ZTEDNASHAWNBKQ,ZTEDNASHAWNBKQ-UHFFFAOYSA-N,"InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2","""AuxInfo=1/0/N:21,20,29,30,10,22,24,28,25,27,11,18,4,14,8,19,9,17,3,6,16,5,13,7,2,23,1,26,15,12/E:(7,8)(9,10)/rA:30ONCCCCNCCCCSCCOCCCCCCCNCCOCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s19;s16d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.100,7.1,0.0,0.0,1.0,7.1,0.0
-ZTIASORFYBCQED_on_P14867_WT,Low,ChEMBL30,CHEMBL359638,c1ccc(-c2nnc3c4c(c(Oc5cnccc5)nn23)C2CCC4CC2)cc1,ZTIASORFYBCQED,ZTIASORFYBCQED-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-2-5-16(6-3-1)20-24-25-21-18-14-8-10-15(11-9-14)19(18)22(26-27(20)21)28-17-7-4-12-23-13-17/h1-7,12-15H,8-11H2","""AuxInfo=1/0/N:1,2,28,17,3,27,18,23,25,22,26,16,14,24,21,4,13,9,10,5,8,11,15,6,7,19,20,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL829006,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-ZTIASORFYBCQED_on_P31644_WT,Low,ChEMBL30,CHEMBL359638,c1ccc(-c2nnc3c4c(c(Oc5cnccc5)nn23)C2CCC4CC2)cc1,ZTIASORFYBCQED,ZTIASORFYBCQED-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-2-5-16(6-3-1)20-24-25-21-18-14-8-10-15(11-9-14)19(18)22(26-27(20)21)28-17-7-4-12-23-13-17/h1-7,12-15H,8-11H2","""AuxInfo=1/0/N:1,2,28,17,3,27,18,23,25,22,26,16,14,24,21,4,13,9,10,5,8,11,15,6,7,19,20,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL830421,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-ZTIASORFYBCQED_on_P34903_WT,Low,ChEMBL30,CHEMBL359638,c1ccc(-c2nnc3c4c(c(Oc5cnccc5)nn23)C2CCC4CC2)cc1,ZTIASORFYBCQED,ZTIASORFYBCQED-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-2-5-16(6-3-1)20-24-25-21-18-14-8-10-15(11-9-14)19(18)22(26-27(20)21)28-17-7-4-12-23-13-17/h1-7,12-15H,8-11H2","""AuxInfo=1/0/N:1,2,28,17,3,27,18,23,25,22,26,16,14,24,21,4,13,9,10,5,8,11,15,6,7,19,20,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL830420,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-ZTIASORFYBCQED_on_P47869_WT,Low,ChEMBL30,CHEMBL359638,c1ccc(-c2nnc3c4c(c(Oc5cnccc5)nn23)C2CCC4CC2)cc1,ZTIASORFYBCQED,ZTIASORFYBCQED-UHFFFAOYSA-N,"InChI=1S/C22H19N5O/c1-2-5-16(6-3-1)20-24-25-21-18-14-8-10-15(11-9-14)19(18)22(26-27(20)21)28-17-7-4-12-23-13-17/h1-7,12-15H,8-11H2","""AuxInfo=1/0/N:1,2,28,17,3,27,18,23,25,22,26,16,14,24,21,4,13,9,10,5,8,11,15,6,7,19,20,12/E:(2,3)(5,6)(8,9)(10,11)/rA:28CCCCCNNCCCCOCCNCCCNNCCCCCCCC/rB:d1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;d15;s16;s13d17;d11;s5s8s19;s10;s21;s22;s9s23;s24;s21s25;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL829005,PMID:15743180,2005.0,PMID:15743180,2005,0,0,0,1,0,,<,  6.301,6.301,0.0,0.0,1.0,6.301,0.0
-ZTILUNBDAIWUAM_on_P41594_WT,High,ChEMBL30,CHEMBL3947791,CC(C)c1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1,ZTILUNBDAIWUAM,ZTILUNBDAIWUAM-UHFFFAOYSA-N,"InChI=1S/C22H18N4/c1-14(2)20-19-18(15-9-5-3-6-10-15)17(13-23)21(24-22(19)26-25-20)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,24,25,26)","""AuxInfo=1/1/N:1,3,10,20,9,11,19,21,8,12,18,22,14,2,7,17,13,6,5,4,16,24,15,23,26,25/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:26CCCCCCCCCCCCCCNCCCCCCCNCNN/rB:s1;s2;s2;d4;s5;s6;d7;s8;d9;s10;s7d11;d6;s13;t14;s13;s16;d17;s18;d19;s20;s17d21;d16;s5s23;d24;s4s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3865444,PMID:27994742,2016.0,PMID:27994742,2016,0,1,0,0,0,,=,  6.620,6.62,0.0,0.0,1.0,6.62,0.0
-ZTLBZXHPXPXFNU_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL361116;11183505,Nc1c(C(=O)Nc2ncccc2)nccn1,ZTLBZXHPXPXFNU,ZTLBZXHPXPXFNU-UHFFFAOYSA-N,"InChI=1S/C10H9N5O/c11-9-8(13-5-6-14-9)10(16)15-7-3-1-2-4-12-7/h1-6H,(H2,11,14)(H,12,15,16)","""AuxInfo=1/1/N:11,10,12,9,14,15,7,3,2,4,1,8,13,16,6,5/rA:16NCCCONCNCCCCNCCN/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;s10;s7d11;s3;d13;s14;s2d15;/rC:;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828680;PubChemAID:242780,PMID:15686941,2005.0,PMID:15686941;PubChemAID:242780,2005;2010,1;0,0,0,0,0;1,,=,  5.450;  5.451,5.45,0.0,0.0,2.0,5.45,0.0
-ZTMGYWMZJBHXBD_on_Q14416_WT,High,ChEMBL30,CHEMBL1631859,Cc1nccc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)c(C)c4)NC(=O)C3)c2)c1,ZTMGYWMZJBHXBD,ZTMGYWMZJBHXBD-UHFFFAOYSA-N,"InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)","""AuxInfo=1/1/N:23,1,9,8,10,5,4,24,30,29,16,28,22,2,7,6,11,17,12,14,15,26,18,19,20,21,3,13,25,27/E:(24,25,26)/rA:30CCNCCCCCCCCCNCCCCCFFFCCCNCOCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s11;w?12;s13;d14;s15;d16;s17;s18;s18;s18;s17;s22;s14d22;s15;s25;d26;s12s26;s7d11;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1639554,PMID:20971004,2010.0,PMID:20971004,2010,1,0,0,0,0,,=,  7.390,7.39,0.0,0.0,1.0,7.39,0.0
-ZTOAXEZHBPCZRO_on_Q13255_WT,High,ChEMBL30,CHEMBL3329236,O=c1c2c(ncn1-c1ccccc1F)c(-c1ccccc1)cs2,ZTOAXEZHBPCZRO,ZTOAXEZHBPCZRO-UHFFFAOYSA-N,InChI=1S/C18H11FN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H,"""AuxInfo=1/0/N:19,18,20,11,10,17,21,12,9,22,6,16,15,13,8,4,3,2,14,5,7,1,23/E:(2,3)(6,7)/rA:23OCCCNCNCCCCCCFCCCCCCCCS/rB:d1;s2;d3;s4;d5;s2s6;s7;d8;s9;d10;s11;s8d12;s13;s4;s15;d16;s17;d18;s19;s16d20;d15;s3s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3361665,PMID:25127154,2014.0,PMID:25127154,2014,1,0,0,0,0,,=,  6.170,6.17,0.0,0.0,1.0,6.17,0.0
-ZTOHOXCKSPKZEM_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2346724;71720153,Cc1csc(C#Cc2cnccc2)n1,ZTOHOXCKSPKZEM,ZTOHOXCKSPKZEM-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3","""AuxInfo=1/0/N:1,12,13,7,6,11,9,3,2,8,5,10,14,4/rA:14CCCSCCCCCNCCCN/rB:s1;d2;s3;s4;s5;t6;s7;d8;s9;d10;s11;s8d12;s2d5;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2350953;PubChemAID:738966,PMID:23434029,2013.0,PMID:23434029;PubChemAID:738966,2013,1;0,0,0,0,0;1,,=,  7.920;  7.921,7.921,0.0,0.0,2.0,7.921,0.001
-ZTOMDUONHPIBET_on_P41594_WT,Medium,ChEMBL30,CHEMBL187019,c1ccc(-c2noc(-c3cccc(-n4nnc(-c5ncccc5)n4)c3)c2)cc1,ZTOMDUONHPIBET,ZTOMDUONHPIBET-UHFFFAOYSA-N,InChI=1S/C21H14N6O/c1-2-7-15(8-3-1)19-14-20(28-25-19)16-9-6-10-17(13-16)27-24-21(23-26-27)18-11-4-5-12-22-18/h1-14H,"""AuxInfo=1/0/N:1,2,28,22,21,11,3,27,10,12,23,20,25,26,4,9,13,18,5,8,17,19,16,24,6,15,14,7/E:(2,3)(7,8)/rA:28CCCCCNOCCCCCCNNNCCNCCCCNCCCC/rB:d1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;s13;s14;d15;s16;s17;d18;s19;d20;s21;s18d22;s14d17;s9d13;s5d8;s4;s1d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.050,6.05,0.0,0.0,1.0,6.05,0.0
-ZTPXTGRLWOIDNG_on_O15399_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.890;  5.230,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_O60391_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.890;  5.230,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.230;  5.890,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_Q05586_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.890;  5.230,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_Q12879_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.230;  5.890,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_Q13224_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL746909;CHEMBL747059,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.230;  5.890,5.56,0.33,0.33,2.0,5.56,0.33
-ZTPXTGRLWOIDNG_on_Q14957_WT,Low,ChEMBL30,CHEMBL1180234,COc1cc(CN=C(N)N)cc(CN=C(N)N)c1,ZTPXTGRLWOIDNG,ZTPXTGRLWOIDNG-UHFFFAOYSA-N,"InChI=1S/C11H18N6O/c1-18-9-3-7(5-16-10(12)13)2-8(4-9)6-17-11(14)15/h2-4H,5-6H2,1H3,(H4,12,13,16)(H4,14,15,17)","""AuxInfo=1/1/N:1,11,4,18,6,13,5,12,3,8,15,9,10,16,17,7,14,2/E:(3,4)(5,6)(7,8)(10,11)(12,13,14,15)(16,17)/gE:(1,2)/rA:18COCCCCNCNNCCCNCNNC/rB:s1;s2;d3;s4;s5;s6;w?7;s8;s8;d5;s11;s12;s13;w?14;s15;s15;s3d12;/rC:;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL747059;CHEMBL746909,PMID:9934452,1998.0,PMID:9934452,1998,1,0,0,0,0,,=,  5.890;  5.230,5.56,0.33,0.33,2.0,5.56,0.33
-ZTQCPIWXDZFSQD_on_P14867_WT,Low,ChEMBL30,CHEMBL291308,COc1ccc(-c2cc(C#N)c(O)nc2-c2ccc(N(C)C)cc2)cc1,ZTQCPIWXDZFSQD,ZTQCPIWXDZFSQD-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-24(2)17-8-4-15(5-9-17)20-19(12-16(13-22)21(25)23-20)14-6-10-18(26-3)11-7-14/h4-12H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:21,22,1,17,24,5,25,18,23,4,26,8,10,6,16,9,19,3,7,15,12,11,14,20,13,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26COCCCCCCCCNCONCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s12;s7d14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681639,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZTQCPIWXDZFSQD_on_P31644_WT,Low,ChEMBL30,CHEMBL291308,COc1ccc(-c2cc(C#N)c(O)nc2-c2ccc(N(C)C)cc2)cc1,ZTQCPIWXDZFSQD,ZTQCPIWXDZFSQD-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-24(2)17-8-4-15(5-9-17)20-19(12-16(13-22)21(25)23-20)14-6-10-18(26-3)11-7-14/h4-12H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:21,22,1,17,24,5,25,18,23,4,26,8,10,6,16,9,19,3,7,15,12,11,14,20,13,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26COCCCCCCCCNCONCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s12;s7d14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL681483,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  6.176,6.176,0.0,0.0,1.0,6.176,0.0
-ZTQCPIWXDZFSQD_on_P34903_WT,Low,ChEMBL30,CHEMBL291308,COc1ccc(-c2cc(C#N)c(O)nc2-c2ccc(N(C)C)cc2)cc1,ZTQCPIWXDZFSQD,ZTQCPIWXDZFSQD-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-24(2)17-8-4-15(5-9-17)20-19(12-16(13-22)21(25)23-20)14-6-10-18(26-3)11-7-14/h4-12H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:21,22,1,17,24,5,25,18,23,4,26,8,10,6,16,9,19,3,7,15,12,11,14,20,13,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26COCCCCCCCCNCONCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s12;s7d14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682252,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZTQCPIWXDZFSQD_on_P47869_WT,Low,ChEMBL30,CHEMBL291308,COc1ccc(-c2cc(C#N)c(O)nc2-c2ccc(N(C)C)cc2)cc1,ZTQCPIWXDZFSQD,ZTQCPIWXDZFSQD-UHFFFAOYSA-N,"InChI=1S/C21H19N3O2/c1-24(2)17-8-4-15(5-9-17)20-19(12-16(13-22)21(25)23-20)14-6-10-18(26-3)11-7-14/h4-12H,1-3H3,(H,23,25)","""AuxInfo=1/1/N:21,22,1,17,24,5,25,18,23,4,26,8,10,6,16,9,19,3,7,15,12,11,14,20,13,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26COCCCCCCCCNCONCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;s9;t10;d9;s12;s12;s7d14;s15;d16;s17;d18;s19;s20;s20;s19;s16d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681249,PMID:11960500,2002.0,PMID:11960500,2002,0,0,0,1,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZTWPMZJQRDJFBM_on_Q05586_WT,Low,ChEMBL30,CHEMBL353131,N=C(C=Cc1c(Cl)cccc1)NCc1ccccc1,ZTWPMZJQRDJFBM,ZTWPMZJQRDJFBM-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)10-11-16(18)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,10,9,15,19,11,8,4,3,13,14,5,6,2,7,1,12/E:(2,3)(6,7)/rA:19NCCCCCClCCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s6;d8;s9;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-ZTWPMZJQRDJFBM_on_Q13224_WT,Low,ChEMBL30,CHEMBL353131,N=C(C=Cc1c(Cl)cccc1)NCc1ccccc1,ZTWPMZJQRDJFBM,ZTWPMZJQRDJFBM-UHFFFAOYSA-N,"InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)10-11-16(18)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)","""AuxInfo=1/1/N:17,16,18,10,9,15,19,11,8,4,3,13,14,5,6,2,7,1,12/E:(2,3)(6,7)/rA:19NCCCCCClCCCCNCCCCCCC/rB:d1;s2;w?3;s4;d5;s6;s6;d8;s9;s5d10;s2;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL747358,PMID:12639560,2003.0,PMID:12639560,2003,0,0,0,1,0,,=,  7.030,7.03,0.0,0.0,1.0,7.03,0.0
-ZTXVGRBGXNTKSV_on_P14867_WT,Low,ChEMBL30,CHEMBL1783214,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2CC#N,ZTXVGRBGXNTKSV,ZTXVGRBGXNTKSV-UHFFFAOYSA-N,"InChI=1S/C21H31NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h13-17,19,23H,3-9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-ZTXVGRBGXNTKSV_on_P18507_WT,Low,ChEMBL30,CHEMBL1783214,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2CC#N,ZTXVGRBGXNTKSV,ZTXVGRBGXNTKSV-UHFFFAOYSA-N,"InChI=1S/C21H31NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h13-17,19,23H,3-9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-ZTXVGRBGXNTKSV_on_P47870_WT,Low,ChEMBL30,CHEMBL1783214,CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2CC#N,ZTXVGRBGXNTKSV,ZTXVGRBGXNTKSV-UHFFFAOYSA-N,"InChI=1S/C21H31NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h13-17,19,23H,3-9,11-12H2,1-2H3","""AuxInfo=1/0/N:17,1,9,20,8,19,14,22,15,23,11,3,21,10,12,7,18,4,6,16,2,24,13,5/rA:24CCCCOCCCCCCCOCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s12;s14;s6s10s15;s16;s2s7;s18;s19;s2s20;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL3888767,PATENT:US9388210B2,2016.0,PATENT:US9388210B2,2016,1,0,0,0,0,,=,  5.990,5.99,0.0,0.0,1.0,5.99,0.0
-ZTXWQLDOOGDSQL_on_P41594_WT,High,ChEMBL30,CHEMBL3644419,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccn3,ZTXWQLDOOGDSQL,ZTXWQLDOOGDSQL-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-4-3-15(10-26-20)16-5-7-25-23-17(16)6-8-30-19(23)9-21(27-11-22(30)31)29-12-18(28-13-29)14-1-2-14/h3-5,7,9-10,12-14H,1-2,6,8,11H2","""AuxInfo=1/0/N:11,12,23,24,29,18,30,19,14,28,3,13,7,10,22,21,17,9,15,25,5,2,16,26,31,27,4,8,6,20,1/E:(1,2)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCFNCCCN/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-ZTXWQLDOOGDSQL_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644419,O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccn3,ZTXWQLDOOGDSQL,ZTXWQLDOOGDSQL-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-20-4-3-15(10-26-20)16-5-7-25-23-17(16)6-8-30-19(23)9-21(27-11-22(30)31)29-12-18(28-13-29)14-1-2-14/h3-5,7,9-10,12-14H,1-2,6,8,11H2","""AuxInfo=1/0/N:11,12,23,24,29,18,30,19,14,28,3,13,7,10,22,21,17,9,15,25,5,2,16,26,31,27,4,8,6,20,1/E:(1,2)/rA:31OCCNCNCNCCCCCCCCCCCNCCCCCFNCCCN/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;d24;s25;s25;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZUBCBZXHDHERBN_on_P41594_WT,Medium,ChEMBL30,CHEMBL363986,CC(=O)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1,ZUBCBZXHDHERBN,ZUBCBZXHDHERBN-UHFFFAOYSA-N,"InChI=1S/C20H15N5O/c1-14(26)17-9-2-3-10-18(17)15-7-6-8-16(13-15)25-23-20(22-24-25)19-11-4-5-12-21-19/h2-13H,1H3","""AuxInfo=1/0/N:1,25,24,19,18,8,7,9,26,23,20,17,22,2,6,10,4,5,15,14,16,13,21,12,11,3/rA:26CCOCCCCCCCNNNCCNCCCCNCCCCC/rB:s1;d2;s2;d4;s5;d6;s7;d8;s9;s10;s11;d12;s13;s14;d15;s16;d17;s18;s15d19;s11d14;s6d10;s5;d23;s24;s4d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.380,6.38,0.0,0.0,1.0,6.38,0.0
-ZUGHBANJKNFEGE_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3900371,Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(F)c(C(F)(F)F)c2)c3)cn1,ZUGHBANJKNFEGE,ZUGHBANJKNFEGE-UHFFFAOYSA-N,"InChI=1S/C22H16F4N4O/c1-30-11-14(10-28-30)16-9-20(21(27)31)29-19-8-13(2-4-15(16)19)6-12-3-5-18(23)17(7-12)22(24,25)26/h2-5,7-11H,6H2,1H3,(H2,27,31)","""AuxInfo=1/1/N:1,15,19,14,20,17,28,29,6,30,3,18,16,4,13,5,23,21,12,7,8,24,22,25,26,27,9,31,11,2,10/E:(24,25,26)/rA:31CNCCCCCCNONCCCCCCCCCCFCCFFFCCCN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d8;d7;s11;s5d12;s13;d14;s15;s16;s17;d18;s19;d20;s21;s21;s23;s24;s24;s24;s18d23;s12d16;s4;s2d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-ZUNNHLGHFREVAS_on_Q14416_WT,Low,ChEMBL30,CHEMBL1097397,NC(=O)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1,ZUNNHLGHFREVAS,ZUNNHLGHFREVAS-UHFFFAOYSA-N,"InChI=1S/C17H16N2O4/c18-16(20)12-5-4-8-14(9-12)22-11-15-10-19(17(21)23-15)13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H2,18,20)","""AuxInfo=1/1/N:15,14,16,22,23,13,17,21,5,10,8,4,12,6,9,2,18,1,11,3,19,7,20/E:(2,3)(6,7)/rA:23NCOCCCOCCCNCCCCCCCOOCCC/rB:s1;d2;s2;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;s12d16;s11;d18;s9s18;d6;s21;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZUOKDHCWCLGJBQ_on_Q13255_WT,High,ChEMBL30,CHEMBL1951888,CNc1c2c(ncn1)sc1c2ccn(-c2ccc(C)cc2)c1=O,ZUOKDHCWCLGJBQ,ZUOKDHCWCLGJBQ-UHFFFAOYSA-N,"InChI=1S/C17H14N4OS/c1-10-3-5-11(6-4-10)21-8-7-12-13-15(18-2)19-9-20-16(13)23-14(12)17(21)22/h3-9H,1-2H3,(H,18,19,20)","""AuxInfo=1/1/N:19,1,17,20,16,21,12,13,7,18,15,11,4,10,3,5,22,2,8,6,14,23,9/E:(3,4)(5,6)/rA:23CNCCCNCNSCCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;s6;s3d7;s5;s9;s4d10;s11;d12;s13;s14;d15;s16;d17;s18;s18;s15d20;s10s14;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1954372,PMID:22266036,2012.0,PMID:22266036,2012,1,0,0,0,0,,=,  7.510,7.51,0.0,0.0,1.0,7.51,0.0
-ZUPAMCSHOGOQRE_on_Q14833_WT,Low,ChEMBL30,CHEMBL2023472,CN(C)C(=O)COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1,ZUPAMCSHOGOQRE,ZUPAMCSHOGOQRE-UHFFFAOYSA-N,"InChI=1S/C22H20N4O2/c1-25(2)22(27)15-28-18-8-9-20-19(10-11-23-21(20)12-18)16-13-24-26(14-16)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3","""AuxInfo=1/0/N:1,3,19,18,20,17,21,9,10,24,25,28,23,14,6,13,16,8,12,11,27,4,26,22,2,15,5,7/E:(1,2)(4,5)(6,7)/rA:28CNCCOCOCCCCCCCNCCCCCCNCCCNCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s15;s13d22;d12;s24;d25;s11s26;s8d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL2025296,PMID:22465637,2012.0,PMID:22465637,2012,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZUPFJKSJZHRSRX_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3935453,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1,ZUPFJKSJZHRSRX,ZUPFJKSJZHRSRX-UHFFFAOYSA-N,"InChI=1S/C22H20F4N4O/c23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31)","""AuxInfo=1/1/N:16,8,13,9,12,15,21,20,29,5,18,28,17,7,10,14,6,30,4,23,2,24,11,25,26,27,1,22,31,19,3/E:(2,3)(4,5)(24,25,26)/rA:31NCOCCCCCCCFCCCCCCCNCCNCCFFFCCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s19s23;d17;s14s29;s4d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.850;  7.850,7.85,0.0,0.0,2.0,7.85,0.0
-ZURCCCJDFZTXBT_on_O00222_WT,High,ChEMBL30,CHEMBL4072587;CHEMBL4066711;CHEMBL4093305,CCOc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1,ZURCCCJDFZTXBT,ZURCCCJDFZTXBT-UHFFFAOYSA-N,"InChI=1S/C13H19N2O9P/c1-2-24-10-6-7(5-9(11(10)16)15(20)21)13(19)25(22,23)4-3-8(14)12(17)18/h5-6,8,13,16,19H,2-4,14H2,1H3,(H,17,18)(H,22,23)","""AuxInfo=1/1/N:1,2,19,18,11,25,12,20,7,4,5,22,13,21,8,6,23,24,14,9,10,16,17,3,15/E:(17,18)(20,21)(22,23)/CRV:15.5/rA:25CCOCCOCN+OO-CCCOPOOCCCNCOOC/rB:s1;s2;s3;d4;s5;s5;s7;d8;s8;d7;s11;s12;s13;s13;d15;s15;s15;s18;s19;s20;s20;d22;s22;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.660;  5.190;  4.700,4.85,0.24100000000000002,0.17,3.0,4.7,0.04
-ZURCCCJDFZTXBT_on_Q14833_WT,High,ChEMBL30,CHEMBL4066711;CHEMBL4072587;CHEMBL4093305,CCOc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1,ZURCCCJDFZTXBT,ZURCCCJDFZTXBT-UHFFFAOYSA-N,"InChI=1S/C13H19N2O9P/c1-2-24-10-6-7(5-9(11(10)16)15(20)21)13(19)25(22,23)4-3-8(14)12(17)18/h5-6,8,13,16,19H,2-4,14H2,1H3,(H,17,18)(H,22,23)","""AuxInfo=1/1/N:1,2,19,18,11,25,12,20,7,4,5,22,13,21,8,6,23,24,14,9,10,16,17,3,15/E:(17,18)(20,21)(22,23)/CRV:15.5/rA:25CCOCCOCN+OO-CCCOPOOCCCNCOOC/rB:s1;s2;s3;d4;s5;s5;s7;d8;s8;d7;s11;s12;s13;s13;d15;s15;s15;s18;s19;s20;s20;d22;s22;s4d12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  5.190;  5.290;  5.070,5.183,0.09,0.064,3.0,5.19,0.1
-ZURZLMJIAPYKSZ_on_P41594_WT,High,ChEMBL30,CHEMBL3644410,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cc(F)ccn1)ccc3,ZURZLMJIAPYKSZ,ZURZLMJIAPYKSZ-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-15-6-8-25-19(10-15)17-2-1-3-18-16(17)7-9-29-20(18)11-21(26-12-22(29)31)30-13-27-23(28-30)14-4-5-14/h1-3,6,8,10-11,13-14H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,26,18,27,19,23,14,3,7,10,24,17,21,16,22,15,5,2,9,25,28,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCCCFCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  6.080,6.08,0.0,0.0,1.0,6.08,0.0
-ZURZLMJIAPYKSZ_on_Q13255_WT,Low,ChEMBL30,CHEMBL3644410,O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cc(F)ccn1)ccc3,ZURZLMJIAPYKSZ,ZURZLMJIAPYKSZ-UHFFFAOYSA-N,"InChI=1S/C23H19FN6O/c24-15-6-8-25-19(10-15)17-2-1-3-18-16(17)7-9-29-20(18)11-21(26-12-22(29)31)30-13-27-23(28-30)14-4-5-14/h1-3,6,8,10-11,13-14H,4-5,7,9,12H2","""AuxInfo=1/0/N:30,29,31,11,12,26,18,27,19,23,14,3,7,10,24,17,21,16,22,15,5,2,9,25,28,4,8,13,20,6,1/E:(4,5)/rA:31OCCNCNCNCCCCNCCCCCCNCCCCFCCNCCC/rB:d1;s2;s3;w?4;s5;s6;d7;s8;s9;s10;s10s11;s6d9;s5;w?14;s15;d16;s17;s18;s2s15s19;s17;s21;d22;s23;s24;d24;s26;s22d27;d21;s29;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZUUBRGCTXRXCLV_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,16118537;CHEMBL1951683,COc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1,ZUUBRGCTXRXCLV,ZUUBRGCTXRXCLV-UHFFFAOYSA-N,"InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)","""AuxInfo=1/1/N:1,18,19,5,25,4,26,20,9,21,8,17,6,3,10,15,14,11,13,23,22,16,7,24,2,12/E:(2,3)(4,5)(6,7)/rA:26COCCCCNCCCCSCCCNCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s9;d10;s11;s12;s10d13;s14;s15;s16;s17;s17s18;d15;s20;s13d21;s7s11;d23;s6;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:645618;CHEMBL1954372,PMID:22266036,2012.0,PubChemAID:645618;PMID:22266036,2012,0;1,0,0,0,1;0,,=,  7.921;  7.920,7.921,0.001,0.001,2.0,7.921,0.001
-ZUUXQQXURVQFGG_on_P14867_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1273615,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  6.350,6.35,0.0,0.0,1.0,6.35,0.0
-ZUUXQQXURVQFGG_on_P18507_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL1273619;CHEMBL1273615;CHEMBL1273616;CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300;  6.350;  5.300;  5.300,5.562,0.455,0.262,4.0,5.3,0.0
-ZUUXQQXURVQFGG_on_P28472_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL1273620;CHEMBL1273619;CHEMBL1273615;CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300;  5.300;  6.350;  5.300,5.562,0.455,0.263,4.0,5.3,0.0
-ZUUXQQXURVQFGG_on_P31644_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL1273619,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-ZUUXQQXURVQFGG_on_P47869_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL1273616,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-ZUUXQQXURVQFGG_on_Q16445_WT,Low,ChEMBL30,CHEMBL1270944,C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C,ZUUXQQXURVQFGG,ZUUXQQXURVQFGG-UHFFFAOYSA-N,"InChI=1S/C23H24N2O4/c1-8-14-9-10-18-15(11-14)16-12-17(20(26)28-22(2,3)4)24-13-19(16)25(18)21(27)29-23(5,6)7/h1,9-13H,2-7H3","""AuxInfo=1/0/N:1,18,19,20,27,28,29,2,4,5,8,21,11,3,7,9,13,6,10,14,23,17,26,12,22,15,24,16,25/E:(2,3,4)(5,6,7)/rA:29CCCCCCCCCCCNCCOOCCCCCNCOOCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s7;d9;s10;d11;s12;s13;d14;s14;s16;s17;s17;s17;s9d13;s6s10;s22;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL1273620,PMID:20888240,2010.0,PMID:20888240,2010,0,0,0,1,0,,=,  5.300,5.3,0.0,0.0,1.0,5.3,0.0
-ZUWMBBZBDLJVHD_on_P41594_WT,High,ChEMBL30,CHEMBL584478,Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1c(F)nccc1,ZUWMBBZBDLJVHD,ZUWMBBZBDLJVHD-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,25,26,5,6,24,16,14,11,2,4,15,7,20,3,21,8,22,23,17,18,10,19,9/E:(1,2)/rA:26CCCCCCCCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1038284,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  5.640,5.64,0.0,0.0,1.0,5.64,0.0
-ZUWMBBZBDLJVHD_on_Q13255_WT,High,ChEMBL30,CHEMBL584478,Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1c(F)nccc1,ZUWMBBZBDLJVHD,ZUWMBBZBDLJVHD-UHFFFAOYSA-N,"InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3","""AuxInfo=1/0/N:12,13,1,25,26,5,6,24,16,14,11,2,4,15,7,20,3,21,8,22,23,17,18,10,19,9/E:(1,2)/rA:26CCCCCCCCONCCCCCCNNNCCFNCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s8;s10;s11;s11;s10;s7s14;s4d15;s3;d17;s2s18;s19;d20;s21;s21;d23;s24;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL1038283,PMID:19692242,2009.0,PMID:19692242,2009,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZVAMPVLFGMSEGN_on_O15399_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_O60391_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_Q05586_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_Q12879_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_Q13224_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAMPVLFGMSEGN_on_Q14957_WT,Low,ChEMBL30,CHEMBL295154,O=Nc1c(O)nc2cc(Cl)ccc2c1O,ZVAMPVLFGMSEGN,ZVAMPVLFGMSEGN-UHFFFAOYSA-N,"InChI=1S/C9H5ClN2O3/c10-4-1-2-5-6(3-4)11-9(14)7(12-15)8(5)13/h1-3H,(H2,11,13,14)","""AuxInfo=1/1/N:11,12,8,9,13,7,3,14,4,10,6,2,15,5,1/rA:15ONCCONCCCClCCCCO/rB:d1;s2;d3;s4;s4;d6;s7;d8;s9;s9;d11;s7s12;s3d13;s14;/rC:;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  7.280,7.28,0.0,0.0,1.0,7.28,0.0
-ZVAYWVFHCSJDIG_on_P41594_WT,High,ChEMBL30,CHEMBL444375,Cc1cn2cc(C)nc(C#Cc3ccc(F)cc3)c2c1,ZVAYWVFHCSJDIG,ZVAYWVFHCSJDIG-UHFFFAOYSA-N,"InChI=1S/C17H13FN2/c1-12-9-17-16(19-13(2)11-20(17)10-12)8-5-14-3-6-15(18)7-4-14/h3-4,6-7,9-11H,1-2H3","""AuxInfo=1/0/N:1,7,13,18,11,14,17,10,20,3,5,2,6,12,15,9,19,16,8,4/E:(3,4)(6,7)/rA:20CCCNCCCNCCCCCCCFCCCC/rB:s1;d2;s3;s4;d5;s6;s6;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s4s9;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL934506,PMID:18304814,2008.0,PMID:18304814,2008,1,0,0,0,0,,=,  6.400,6.4,0.0,0.0,1.0,6.4,0.0
-ZVEAMPDMRPWSDL_on_P14867_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL681641,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ZVEAMPDMRPWSDL_on_P18507_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-ZVEAMPDMRPWSDL_on_P28472_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-ZVEAMPDMRPWSDL_on_P31644_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685339,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,=,  7.110,7.11,0.0,0.0,1.0,7.11,0.0
-ZVEAMPDMRPWSDL_on_P34903_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL682253,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ZVEAMPDMRPWSDL_on_P47869_WT,Low,ChEMBL30,CHEMBL70604,CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1,ZVEAMPDMRPWSDL,ZVEAMPDMRPWSDL-UHFFFAOYSA-N,"InChI=1S/C15H19N3O2S/c1-15(2)7-9-12(11(20)8-15)14(16-5-6-19)21-13(9)10-3-4-17-18-10/h3-4,16,19H,5-8H2,1-2H3,(H,17,18)","""AuxInfo=1/1/N:1,3,19,18,10,11,21,4,20,15,5,7,14,8,2,9,17,16,12,6,13/E:(1,2)/rA:21CCCCCOCCNCCOSCCNNCCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;s9;s10;s11;s8;s13;s14;d15;s16;s17;s15d18;s7d14;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL681405,PMID:12747794,2003.0,PMID:12747794,2003,0,0,0,1,0,,<,  6.523,6.523,0.0,0.0,1.0,6.523,0.0
-ZVJGPWBWNYVZRN_on_Q05586_WT,Low,ChEMBL30,CHEMBL3594120,CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3C1CC2.c1ccncc1,ZVJGPWBWNYVZRN,ZVJGPWBWNYVZRN-UHFFFAOYSA-N,"""InChI=1S/C18H30O4S.C5H5N/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18;1-2-4-6-5-3-1/h12-17H,2-11H2,1H3,(H,19,20,21);1-5H""","""AuxInfo=1/1/N:1,4,5,9,18,8,19,22,3,23,11,10,12,20,21,7,6,2,15,16,17,13,14;24,25,29,26,28,27/E:(19,20,21);(2,3)(4,5)/CRV:23.6;/rA:29CCCCCCCCCCCCOSOOOCCCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s7s20;s21;s2s22;;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-ZVJGPWBWNYVZRN_on_Q13224_WT,Low,ChEMBL30,CHEMBL3594120,CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3C1CC2.c1ccncc1,ZVJGPWBWNYVZRN,ZVJGPWBWNYVZRN-UHFFFAOYSA-N,"""InChI=1S/C18H30O4S.C5H5N/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18;1-2-4-6-5-3-1/h12-17H,2-11H2,1H3,(H,19,20,21);1-5H""","""AuxInfo=1/1/N:1,4,5,9,18,8,19,22,3,23,11,10,12,20,21,7,6,2,15,16,17,13,14;24,25,29,26,28,27/E:(19,20,21);(2,3)(4,5)/CRV:23.6;/rA:29CCCCCCCCCCCCOSOOOCCCCCCCCCNCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;d14;s14;s12;s18;s10s19;s7s20;s21;s2s22;;d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3594729,PMID:26171651,2015.0,PMID:26171651,2015,1,0,0,0,0,,=,  5.270,5.27,0.0,0.0,1.0,5.27,0.0
-ZVLFJNDFLBDXJS_on_Q14416_WT,Low,ChEMBL30,CHEMBL1094125,CCCCCCC1CN(c2c(C(=O)OC)cccc2)C(=O)O1,ZVLFJNDFLBDXJS,ZVLFJNDFLBDXJS-UHFFFAOYSA-N,"InChI=1S/C17H23NO4/c1-3-4-5-6-9-13-12-18(17(20)22-13)15-11-8-7-10-14(15)16(19)21-2/h7-8,10-11,13H,3-6,9,12H2,1-2H3","""AuxInfo=1/0/N:1,15,2,3,4,5,17,18,6,16,19,8,7,11,10,12,20,9,13,21,14,22/rA:22CCCCCCCCNCCCOOCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;s12;s14;s11;d16;s17;s10d18;s9;d20;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZVMYHBFXAIONHQ_on_P41594_WT,High,ChEMBL30,CHEMBL2151469,Cc1cccc(-c2noc(C3CN(C(=O)c4cccc(F)c4)C3)n2)c1,ZVMYHBFXAIONHQ,ZVMYHBFXAIONHQ-UHFFFAOYSA-N,"InChI=1S/C19H16FN3O2/c1-12-4-2-5-13(8-12)17-21-18(25-22-17)15-10-23(11-15)19(24)14-6-3-7-16(20)9-14/h2-9,15H,10-11H2,1H3","""AuxInfo=1/0/N:1,4,18,3,5,17,19,25,22,12,23,2,6,16,11,20,7,10,14,21,24,8,13,15,9/E:(10,11)/rA:25CCCCCCCNOCCCNCOCCCCCFCCNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;s11;s12;s13;d14;s14;d16;s17;d18;s19;s20;s16d20;s11s13;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2157267,PMID:22975301,2012.0,PMID:22975301,2012,1,0,0,0,0,,=,  5.680,5.68,0.0,0.0,1.0,5.68,0.0
-ZVNMPXDBWXKMNV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3930605,CN1C(=O)N(c2cnc(C#Cc3ccc(F)cc3)cn2)CC1(C)C,ZVNMPXDBWXKMNV,ZVNMPXDBWXKMNV-UHFFFAOYSA-N,"InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-11-20-15(10-21-16)9-6-13-4-7-14(19)8-5-13/h4-5,7-8,10-11H,12H2,1-3H3","""AuxInfo=1/0/N:23,24,1,13,18,11,14,17,10,19,7,21,12,15,9,6,3,22,16,8,20,2,5,4/E:(1,2)(4,5)(7,8)/rA:24CNCONCCNCCCCCCCFCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s15;s12d17;s9;s6d19;s5;s2s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.310,7.31,0.0,0.0,1.0,7.31,0.0
-ZVNQKNXRZVGRGJ_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,72545305;CHEMBL3087215,COC(=O)N1C2CCC1CC(O)(C#Cc1ccc(F)cc1)C2,ZVNQKNXRZVGRGJ,ZVNQKNXRZVGRGJ-UHFFFAOYSA-N,"InChI=1S/C17H18FNO3/c1-22-16(20)19-14-6-7-15(19)11-17(21,10-14)9-8-12-2-4-13(18)5-3-12/h2-5,14-15,21H,6-7,10-11H2,1H3","""AuxInfo=1/0/N:1,16,21,17,20,7,8,14,13,22,10,15,18,6,9,3,11,19,5,4,12,2/E:(2,3)(4,5)(6,7)(10,11)(14,15)/rA:22COCONCCCCCCOCCCCCCFCCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;s11;s11;t13;s14;d15;s16;d17;s18;s18;s15d20;s6s11;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:1054272;CHEMBL3089425,PMID:24125886,2013.0,PubChemAID:1054272;PMID:24125886,2014;2013,0;1,0,0,0,1;0,,=,  5.660;  5.660,5.66,0.0,0.0,2.0,5.66,0.0
-ZVODKUGKBFSMBB_on_P31644_WT,High,ChEMBL30,CHEMBL3676486,Cc1c(COc2ccc(C(=O)NC3CCN(C)CC3)cn2)c(-c2ccccc2)no1,ZVODKUGKBFSMBB,ZVODKUGKBFSMBB-UHFFFAOYSA-N,"InChI=1S/C23H26N4O3/c1-16-20(22(26-30-16)17-6-4-3-5-7-17)15-29-21-9-8-18(14-24-21)23(28)25-19-10-12-27(2)13-11-19/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,28)","""AuxInfo=1/1/N:1,17,26,25,27,24,28,8,7,14,19,15,18,20,4,2,23,9,13,3,6,22,10,21,12,29,16,11,5,30/E:(4,5)(6,7)(10,11)(12,13)/rA:30CCCCOCCCCCONCCCNCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s15;s16;s16;s13s18;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  8.200,8.2,0.0,0.0,1.0,8.2,0.0
-ZVOOLNVRBRNKHS_on_O15303_WT,High,ChEMBL30,CHEMBL567862,CCOC(=O)c1c(N=NN(C)C)sc(-c2ccccc2)c1C,ZVOOLNVRBRNKHS,ZVOOLNVRBRNKHS-UHFFFAOYSA-N,"InChI=1S/C16H19N3O2S/c1-5-21-16(20)13-11(2)14(12-9-7-6-8-10-12)22-15(13)17-18-19(3)4/h6-10H,5H2,1-4H3","""AuxInfo=1/0/N:1,22,11,12,2,18,17,19,16,20,21,15,6,14,7,4,8,9,10,5,3,13/E:(3,4)(7,8)(9,10)/rA:22CCOCOCCNNNCCSCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;w?8;s9;s10;s10;s7;s13;s14;d15;s16;d17;s18;s15d19;s6d14;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",O15303_WT,O15303,WT,CHEMBL1052812,PMID:19819046,2010.0,PMID:19819046,2010,1,0,0,0,0,,=,  4.420,4.42,0.0,0.0,1.0,4.42,0.0
-ZVRKZIBPVUEXBY_on_P41594_WT,High,ChEMBL30,CHEMBL3660251,Cc1nc(NC(=O)c2cc(N(C)c3cncnc3)ccn2)ccc1,ZVRKZIBPVUEXBY,ZVRKZIBPVUEXBY-UHFFFAOYSA-N,"InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)","""AuxInfo=1/1/N:1,12,23,24,22,19,20,9,14,18,16,2,10,13,8,4,6,15,17,21,3,5,11,7/E:(9,10)(18,19)/rA:24CCNCNCOCCCNCCCNCNCCCNCCC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;s10;s11;s11;d13;s14;d15;s16;s13d17;d10;s19;s8d20;d4;s22;s2d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3707928,PATENT:US8598345B2,2013.0,PATENT:US8598345B2,2013,1,0,0,0,0,,=,  5.670,5.67,0.0,0.0,1.0,5.67,0.0
-ZVSHQXVDRKJVNM_on_O15399_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_O60391_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_Q05586_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_Q12879_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_Q13224_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVSHQXVDRKJVNM_on_Q14957_WT,Low,ChEMBL30,CHEMBL1237203,NCC1NC(=O)CNC1=O,ZVSHQXVDRKJVNM,ZVSHQXVDRKJVNM-UHFFFAOYSA-N,"InChI=1S/C5H9N3O2/c6-1-3-5(10)7-2-4(9)8-3/h3H,1-2,6H2,(H,7,10)(H,8,9)","""AuxInfo=1/1/N:2,7,3,5,9,1,8,4,6,10/rA:10NCCNCOCNCO/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;d9;/rC:;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL3227354,DOI:10.1039/C0MD00020E,2010.0,DOI:10.1039/C0MD00020E,2010,1,0,0,0,0,,=,  3.432,3.432,0.0,0.0,1.0,3.432,0.0
-ZVUJPFSWEVYLFO_on_P41594_WT,High,ChEMBL30,CHEMBL596140,Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCCC3)cn2)cc1,ZVUJPFSWEVYLFO,ZVUJPFSWEVYLFO-UHFFFAOYSA-N,"InChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)","""AuxInfo=1/1/N:1,17,16,18,23,22,15,19,10,20,4,2,11,5,8,7,12,9,3,21,6,14,13/E:(3,4)(7,8)/rA:23CCNCCNCCClCCCONCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s8;d10;s11;d12;s12;s14;s15;s16;s17;s14s18;s11;s7d20;s5;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1065281;CHEMBL1065282,PMID:19931453,2010.0,PMID:19931453,2010,1,0,0,0,0,,=,  7.060;  6.590,6.825,0.235,0.235,2.0,6.825,0.235
-ZWACCKUOIPVNOI_on_Q14416_WT,High,ChEMBL30,CHEMBL3883923,Clc1cccc(Cl)c1-c1cc2nnc(C3CCCCCC3)n2cc1,ZWACCKUOIPVNOI,ZWACCKUOIPVNOI-UHFFFAOYSA-N,"InChI=1S/C19H19Cl2N3/c20-15-8-5-9-16(21)18(15)14-10-11-24-17(12-14)22-23-19(24)13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2","""AuxInfo=1/0/N:18,19,17,20,4,16,21,3,5,24,23,10,15,9,2,6,11,8,14,1,7,12,13,22/E:(1,2)(3,4)(6,7)(8,9)(15,16)(20,21)/rA:24ClCCCCCClCCCCNNCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s2d6;s8;d9;s10;d11;s12;d13;s14;s15;s16;s17;s18;s19;s15s20;s11s14;s22;s9d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3876528,PMID:27914948,2017.0,PMID:27914948,2017,0,1,0,0,0,,=,  5.570,5.57,0.0,0.0,1.0,5.57,0.0
-ZWAONSUCMQPECT_on_Q14416_WT,Medium,ChEMBL30,CHEMBL4108019,Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)ccn1,ZWAONSUCMQPECT,ZWAONSUCMQPECT-UHFFFAOYSA-N,"InChI=1S/C20H19Cl2N3O/c1-12-9-14(5-7-23-12)19-18-6-8-26-13(2)11-25(18)20(24-19)15-3-4-16(21)17(22)10-15/h3-5,7,9-10,13H,6,8,11H2,1-2H3","""AuxInfo=1/0/N:1,11,16,17,24,7,25,8,3,22,12,2,10,4,15,18,20,6,5,14,19,21,26,23,13,9/rA:26CCCCCCCCOCCCNCCCCCClCClCNCCN/rB:s1;d2;s3;s4;d5;s6;s7;s8;s9;s10;s10;s6s12;s13;s14;d15;s16;d17;s18;s18;s20;s15d20;s5d14;d4;s24;s2d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3889189,PATENT:US9458176B2,2016.0,PATENT:US9458176B2,2016,1,0,0,0,0,,=,  7.900,7.9,0.0,0.0,1.0,7.9,0.0
-ZWBNOSOSWCVZAA_on_P41594_WT,High,ExCAPE-DB;ChEMBL30,44093855;CHEMBL2069387,O=C1CC(c2nc(-c3cc(Cl)ccc3)no2)CN1Cc1ccc(F)cc1,ZWBNOSOSWCVZAA,ZWBNOSOSWCVZAA-UHFFFAOYSA-N,"InChI=1S/C19H15ClFN3O2/c20-15-3-1-2-13(8-15)18-22-19(26-23-18)14-9-17(25)24(11-14)10-12-4-6-16(21)7-5-12/h1-8,14H,9-11H2","""AuxInfo=1/0/N:13,14,12,21,26,22,25,9,3,19,17,20,8,4,10,23,2,7,5,11,24,6,15,18,1,16/E:(4,5)(6,7)/rA:26OCCCCNCCCCClCCCNOCNCCCCCFCC/rB:d1;s2;s3;s4;d5;s6;s7;d8;s9;s10;d10;s12;s8d13;d7;s5s15;s4;s2s17;s18;s19;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:676852;CHEMBL2072731,PMID:22832311,2012.0,PubChemAID:676852;PMID:22832311,2013;2012,0;1,0,0,0,1;0,,=,  5.444;  5.440,5.442,0.002,0.002,2.0,5.442,0.002
-ZWCFEPUPFPLOML_on_P41594_WT,High,ChEMBL30,CHEMBL1630078,Cc1c(C(C)OC(=O)Nc2cnccc2)sc2ncnn12,ZWCFEPUPFPLOML,ZWCFEPUPFPLOML-UHFFFAOYSA-N,"InChI=1S/C13H13N5O2S/c1-8-11(21-12-15-7-16-18(8)12)9(2)20-13(19)17-10-4-3-5-14-6-10/h3-7,9H,1-2H3,(H,17,19)","""AuxInfo=1/1/N:1,5,14,15,13,11,19,2,4,10,3,17,7,12,18,20,9,21,8,6,16/rA:21CCCCCOCONCCNCCCSCNCNN/rB:s1;d2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;s13;s10d14;s3;s16;d17;s18;d19;s2s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1639082,PMID:21051228,2010.0,PMID:21051228,2010,1,0,0,0,0,,=,  6.500,6.5,0.0,0.0,1.0,6.5,0.0
-ZWEBWLOUGLXDPI_on_Q05586_WT,Low,ChEMBL30,CHEMBL2013205,Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1cccs1,ZWEBWLOUGLXDPI,ZWEBWLOUGLXDPI-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3OS/c20-14-5-1-4-12(17(14)21)19-23-15-6-7-16(25)13(18(15)24-19)10-22-9-11-3-2-8-26-11/h1-8,22,25H,9-10H2,(H,23,24)","""AuxInfo=1/1/N:14,24,23,15,13,4,3,25,21,19,22,8,18,11,5,2,9,17,7,12,10,20,6,16,1,26/rA:26OCCCCNCCCFCFCCCNCCCNCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s9;s11;d11;s13;s8d14;d7;s5s16;s2d17;s18;s19;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL2013396,PMID:22366657,2012.0,PMID:22366657,2012,1,0,0,0,0,,<,  4.300,4.3,0.0,0.0,1.0,4.3,0.0
-ZWEBWLOUGLXDPI_on_Q13224_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2013205;70681107,Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1cccs1,ZWEBWLOUGLXDPI,ZWEBWLOUGLXDPI-UHFFFAOYSA-N,"InChI=1S/C19H15F2N3OS/c20-14-5-1-4-12(17(14)21)19-23-15-6-7-16(25)13(18(15)24-19)10-22-9-11-3-2-8-26-11/h1-8,22,25H,9-10H2,(H,23,24)","""AuxInfo=1/1/N:14,24,23,15,13,4,3,25,21,19,22,8,18,11,5,2,9,17,7,12,10,20,6,16,1,26/rA:26OCCCCNCCCFCFCCCNCCCNCCCCCS/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;s9;s11;d11;s13;s8d14;d7;s5s16;s2d17;s18;s19;s20;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL2013395;PubChemAID:654953,PMID:22366657,2012.0,PMID:22366657;PubChemAID:654953,2012;2013,1;0,0,0,0,0;1,,=,  6.200;  6.200,6.2,0.0,0.0,2.0,6.2,0.0
-ZWGHMVXHXRTKNE_on_P41594_WT,Low,ChEMBL30,CHEMBL1784074,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O,ZWGHMVXHXRTKNE,ZWGHMVXHXRTKNE-UHFFFAOYSA-N,"InChI=1S/C18H11N5O3S/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(24)23(8-22-14)10-3-4-11-12(6-10)26-9-25-11/h1,3-4,6-8H,5,9H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,20,24,6,13,12,5,7,26,4,10,8,14,16,27,21,23,11/rA:27CCCNCCCNCNSCCNCNCCCCOCOCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZWGHMVXHXRTKNE_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54582006;CHEMBL1784074,C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O,ZWGHMVXHXRTKNE,ZWGHMVXHXRTKNE-UHFFFAOYSA-N,"InChI=1S/C18H11N5O3S/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(24)23(8-22-14)10-3-4-11-12(6-10)26-9-25-11/h1,3-4,6-8H,5,9H2,(H,19,20,21)","""AuxInfo=1/1/N:1,2,18,19,3,25,9,15,22,17,20,24,6,13,12,5,7,26,4,10,8,14,16,27,21,23,11/rA:27CCCNCCCNCNSCCNCNCCCCOCOCCCO/rB:t1;s2;s3;s4;d5;s6;d7;s8;s5d9;s7;s11;s6d12;s13;d14;s15;s16;d17;s18;d19;s20;s21;s22;s20s23;s17d24;s12s16;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  6.863;  6.860,6.862,0.002,0.002,2.0,6.862,0.002
-ZWGMNPNWKHDEGF_on_P41594_WT,Low,ChEMBL30,CHEMBL3655631,O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(Cl)ccc1,ZWGMNPNWKHDEGF,ZWGMNPNWKHDEGF-UHFFFAOYSA-N,"InChI=1S/C15H10ClN5O2/c16-14-3-1-2-13(21-14)15(22)20-10-4-11(6-17-5-10)23-12-7-18-9-19-8-12/h1-9H,(H,20,22)","""AuxInfo=1/1/N:22,23,21,16,5,7,11,15,13,4,8,10,17,19,2,20,6,12,14,3,18,1,9/E:(7,8)(18,19)/rA:23OCNCCNCCOCCNCNCCCNCClCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;d10;s11;d12;s13;s10d14;s4d8;s2;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3705094,PATENT:US8569308B2,2013.0,PATENT:US8569308B2,2013,1,0,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZWHQOIOUVWTJNC_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL182130;44392986,Cc1nc(C#Cc2cc(-c3ccncc3)cnc2)cs1,ZWHQOIOUVWTJNC,ZWHQOIOUVWTJNC-UHFFFAOYSA-N,"InChI=1S/C16H11N3S/c1-12-19-16(11-20-12)3-2-13-8-15(10-18-9-13)14-4-6-17-7-5-14/h4-11H,1H3","""AuxInfo=1/0/N:1,6,5,11,15,12,14,8,18,16,19,2,7,10,9,4,13,17,3,20/E:(4,5)(6,7)/rA:20CCNCCCCCCCCCNCCCNCCS/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s16;s7d17;d4;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL828431;PubChemAID:242195,PMID:15225713,2004.0,PMID:15225713;PubChemAID:242195,2004;2010,1;0,0,0,0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-ZWIUKCOUTYQCBX_on_Q14833_WT,High,ExCAPE-DB;ChEMBL30,56649042;CHEMBL1921951,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1nccs1,ZWIUKCOUTYQCBX,ZWIUKCOUTYQCBX-UHFFFAOYSA-N,"InChI=1S/C16H11N3O5S3/c20-15(16-17-9-10-25-16)18-11-5-7-12(8-6-11)19-26(21,22)13-3-1-2-4-14(13)27(19,23)24/h1-10H,(H,18,20)","""AuxInfo=1/1/N:15,16,14,17,5,22,6,21,25,26,4,7,13,12,2,23,24,3,8,1,19,20,10,11,27,18,9/E:(1,2)(3,4)(5,6)(7,8)(13,14)(21,22,23,24)(26,27)/CRV:26.6,27.6/rA:27OCNCCCCNSOOCCCCCCSOOCCCNCCS/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408;CHEMBL1924926,PMID:21966889,2011.0,PubChemAID:631408;PMID:21966889,2012;2011,0,0;1,0,0,1;0,,=,  6.452;  6.450,6.4510000000000005,0.001,0.001,2.0,6.4510000000000005,0.001
-ZWJGDMSWCKASII_on_O00591_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_O14764_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P14867_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P18505_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P18507_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P28472_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P31644_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P34903_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P47869_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P47870_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P48169_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_P78334_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_Q16445_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWJGDMSWCKASII_on_Q99928_WT,Low,ChEMBL30,CHEMBL181500,CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC,ZWJGDMSWCKASII,ZWJGDMSWCKASII-UHFFFAOYSA-N,"InChI=1S/C14H12Cl2F3N3O2S/c1-3-24-13(23)9-11(20)22(21-12(9)25-2)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3","""AuxInfo=1/0/N:1,25,2,13,19,14,11,20,6,10,7,23,4,15,12,21,16,17,18,8,22,9,5,3,24/E:(4,5)(7,8)(15,16)(17,18,19)/rA:25CCOCOCCNNCCClCCCFFFCCClNCSC/rB:s1;s2;s3;d4;s4;d6;s7;s7;s9;d10;s11;s11;d13;s14;s15;s15;s15;s14;s10d19;s20;s9;s6d22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL832611,PMID:15341958,2004.0,PMID:15341958,2004,1,0,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZWNUJXOSULXADN_on_P31644_WT,High,ChEMBL30,CHEMBL3681472,COC(=O)c1ccc(NCc2c(C)onc2-c2cccc(F)c2)nc1,ZWNUJXOSULXADN,ZWNUJXOSULXADN-UHFFFAOYSA-N,"InChI=1S/C18H16FN3O3/c1-11-15(17(22-25-11)12-4-3-5-14(19)8-12)10-21-16-7-6-13(9-20-16)18(23)24-2/h3-9H,10H2,1-2H3,(H,20,21)","""AuxInfo=1/1/N:13,1,19,18,20,6,7,23,25,10,12,17,5,21,11,8,16,3,22,24,9,15,4,2,14/rA:25COCOCCCCNCCCCONCCCCCCFCNC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d11;s12;s12;s14;s11d15;s16;d17;s18;d19;s20;s21;s17d21;s8;s5d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.160,7.16,0.0,0.0,1.0,7.16,0.0
-ZWNYMQUDJJSSIS_on_Q05586_WT,Low,ChEMBL30,CHEMBL416690,Cc1ccc(CC2CCN(Cc3nc4c(ccc(O)c4)[nH]3)CC2)cc1,ZWNYMQUDJJSSIS,ZWNYMQUDJJSSIS-UHFFFAOYSA-N,"InChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,3,25,4,24,17,16,8,23,9,22,6,20,11,2,5,7,18,15,14,12,21,13,10,19/E:(2,3)(4,5)(8,9)(10,11)/rA:25CCCCCCCCCNCCNCCCCCOCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;s10;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  9.400;  8.240,8.82,0.58,0.58,2.0,8.82,0.58
-ZWNYMQUDJJSSIS_on_Q13224_WT,Low,ChEMBL30,CHEMBL416690,Cc1ccc(CC2CCN(Cc3nc4c(ccc(O)c4)[nH]3)CC2)cc1,ZWNYMQUDJJSSIS,ZWNYMQUDJJSSIS-UHFFFAOYSA-N,"InChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)","""AuxInfo=1/1/N:1,3,25,4,24,17,16,8,23,9,22,6,20,11,2,5,7,18,15,14,12,21,13,10,19/E:(2,3)(4,5)(8,9)(10,11)/rA:25CCCCCCCCCNCCNCCCCCOCNCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;s15;d16;s17;s18;s14d18;s12s15;s10;s7s22;s5;s2d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752567;CHEMBL715186,PMID:15056006,2004.0,PMID:15056006,2004,0;1,0,0,1;0,0,,=,  9.400;  8.240,8.82,0.58,0.58,2.0,8.82,0.58
-ZWORKOVDUVHTKX_on_Q14416_WT,High,ChEMBL30,CHEMBL3765103,Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(C#N)cc1)cc2,ZWORKOVDUVHTKX,ZWORKOVDUVHTKX-UHFFFAOYSA-N,"InChI=1S/C19H20N4O/c1-19(2,3)12-23-16-10-9-15(21-17(16)22(4)18(23)24)14-7-5-13(11-20)6-8-14/h5-10H,12H2,1-4H3","""AuxInfo=1/0/N:8,9,10,1,17,21,16,22,23,24,19,6,18,15,14,11,12,3,7,20,13,2,5,4/E:(1,2,3)(5,6)(7,8)/rA:24CNCONCCCCCCCNCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s7;s5;s2d11;s12;d13;s14;d15;s16;d17;s18;t19;s18;s15d21;s14;s11d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3766106,PMID:26810316,2016.0,PMID:26810316,2016,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-ZWQFPYQWWDBORG_on_P41594_WT,High,ChEMBL30,CHEMBL196643,C(#Cc1ncccc1)C1=CCCCC1,ZWQFPYQWWDBORG,ZWQFPYQWWDBORG-UHFFFAOYSA-N,"InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2","""AuxInfo=1/0/N:12,11,13,7,6,10,14,8,1,2,5,9,3,4/rA:14CCCNCCCCCCCCCC/rB:t1;s2;d3;s4;d5;s6;s3d7;s1;w?9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL871882,PMID:16115767,2005.0,PMID:16115767,2005,1,0,0,0,0,,=,  8.620,8.62,0.0,0.0,1.0,8.62,0.0
-ZWQRBPIGEGXFCU_on_P41594_WT,Medium,ChEMBL30,CHEMBL3983373,CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C,ZWQRBPIGEGXFCU,ZWQRBPIGEGXFCU-UHFFFAOYSA-N,"InChI=1S/C19H19N3O/c1-19(2)14-22(18(23)21(19)3)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-13H,14H2,1-3H3","""AuxInfo=1/0/N:22,23,1,15,14,16,13,17,11,10,8,7,18,20,12,9,6,3,21,19,2,5,4/E:(1,2)(5,6)(7,8)/rA:23CNCONCCCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-ZWSPYAIDAOBFID_on_Q14833_WT,High,ChEMBL30,CHEMBL3797463,Nc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3=O)cc2)nccc1,ZWSPYAIDAOBFID,ZWSPYAIDAOBFID-UHFFFAOYSA-N,"InChI=1S/C21H17ClN4O2/c22-16-12-14(25-20(27)19-17(23)6-3-10-24-19)7-8-18(16)26-11-9-13-4-1-2-5-15(13)21(26)28/h1-8,10,12H,9,11,23H2,(H,25,27)","""AuxInfo=1/1/N:19,18,27,20,17,28,24,23,14,26,13,8,15,7,16,9,2,11,3,4,21,10,1,25,6,12,5,22/rA:28NCCCONCCCClCNCCCCCCCCCOCCNCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;s9;d9;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s12s16;d21;s11;s7d23;s3;d25;s26;s2d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3804042,PMID:27131990,2016.0,PMID:27131990,2016,0,1,0,0,0,,=,  6.040;  9.040,7.54,1.5,1.5,2.0,7.54,1.5
-ZWWVHLMUJGABRK_on_Q14416_WT,High,ChEMBL30,CHEMBL2179322,FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12,ZWWVHLMUJGABRK,ZWWVHLMUJGABRK-UHFFFAOYSA-N,"InChI=1S/C22H22F4N4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26/h1-5,8,11,15H,6-7,9-10,12-14H2","""AuxInfo=1/0/N:15,14,16,13,17,26,27,20,9,18,21,8,19,24,25,12,6,23,5,30,10,2,11,1,3,4,28,29,7,22/E:(2,3)(4,5)(6,7)(9,10)(12,13)(24,25,26)/rA:30FCFFCCNCCCFCCCCCCCCCCNCCCCCNNC/rB:s1;s2;s2;s2;d5;s6;s7;s8;s9;s10;s10;d12;s13;d14;s15;s12d16;s10;s7s18;s6;d20;s21;s22;s23;s24;s25;s25s26;d23;s28;s5s22d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL2186482,PMID:23072213,2012.0,PMID:23072213,2012,0,1,0,0,0,,=,  7.410,7.41,0.0,0.0,1.0,7.41,0.0
-ZWWZTFYQCITUTK_on_O00591_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_O14764_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P14867_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P18505_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P18507_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P28472_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P31644_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P34903_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P47869_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P47870_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P48169_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_P78334_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_Q16445_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWWZTFYQCITUTK_on_Q99928_WT,Low,ChEMBL30,CHEMBL276821,O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1,ZWWZTFYQCITUTK,ZWWZTFYQCITUTK-UHFFFAOYSA-N,"InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)","""AuxInfo=1/1/N:10,9,11,17,16,20,3,18,14,7,12,15,2,6,5,19,8,13,4,21,1/E:(2,3)(10,11)(17,18)/rA:21OCCNCCCClCCCCClCCCCCClCN/rB:d1;s2;s3;w?4;s5;d6;s7;s7;d9;s10;s6d11;s12;s5;d14;s15;d16;s17;s18;s14d18;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL883287,PMID:6127410,1982.0,PMID:6127410,1982,1,0,0,0,0,,=,  8.260,8.26,0.0,0.0,1.0,8.26,0.0
-ZWXFCUZKPFDPGP_on_Q14416_WT,Low,ChEMBL30,CHEMBL1097398,NC(=O)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1,ZWXFCUZKPFDPGP,ZWXFCUZKPFDPGP-UHFFFAOYSA-N,"InChI=1S/C17H16N2O4/c18-16(20)12-6-8-14(9-7-12)22-11-15-10-19(17(21)23-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,18,20)","""AuxInfo=1/1/N:16,15,17,14,18,5,23,6,22,11,9,4,13,7,10,2,19,1,12,3,20,8,21/E:(2,3)(4,5)(6,7)(8,9)/rA:23NCOCCCCOCCCNCCCCCCCOOCC/rB:s1;d2;s2;d4;s5;d6;s7;s8;s9;s10;s11;s12;d13;s14;d15;s16;s13d17;s12;d19;s10s19;s7;s4d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1121265,PMID:20409708,2010.0,PMID:20409708,2010,0,1,0,0,0,,<,  4.523,4.523,0.0,0.0,1.0,4.523,0.0
-ZXFRFPSZAKNPQQ_on_O15399_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_O60391_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_Q05586_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_Q12879_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_Q13224_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXFRFPSZAKNPQQ_on_Q14957_WT,Low,ChEMBL30,CHEMBL14935,O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1,ZXFRFPSZAKNPQQ,ZXFRFPSZAKNPQQ-UHFFFAOYSA-N,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)","""AuxInfo=1/1/N:16,9,17,10,7,5,19,8,18,6,4,11,2,20,12,15,13,14,1,3/E:(15,16)(17,18)(19,20)/rA:20OCOCCCCCCCCNNNNCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s12;s13;s11d14;s8;s16;s6s17;s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL748063,PMID:8393116,1993.0,PMID:8393116,1993,1,0,0,0,0,,=,  4.920,4.92,0.0,0.0,1.0,4.92,0.0
-ZXGHOEQCGVSSAA_on_Q14833_WT,High,ChEMBL30,CHEMBL4100168,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCC(F)(F)C1)cc2,ZXGHOEQCGVSSAA,ZXGHOEQCGVSSAA-UHFFFAOYSA-N,"InChI=1S/C23H21F2N3O2S/c24-23(25)6-8-28(14-23)7-1-2-15-3-4-20-17(10-15)18(27-29)11-21(30-20)19-12-22-16(13-26-19)5-9-31-22/h3-5,9-13,29H,1-2,6-8,14H2","""AuxInfo=1/0/N:21,20,30,31,10,25,22,24,11,18,4,14,8,29,19,9,17,3,6,16,5,13,26,27,28,7,2,23,1,15,12/E:(24,25)/rA:31ONCCCCNCCCCSCCOCCCCCCCNCCCFFCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s26;s23s26;s19;s16d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZXIIVXBJJRPTOY_on_Q14833_WT,Low,ChEMBL30,CHEMBL3964511,O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2)s1)c1ccccn1,ZXIIVXBJJRPTOY,ZXIIVXBJJRPTOY-UHFFFAOYSA-N,"InChI=1S/C15H12N4O3S2/c20-13(12-8-4-5-9-16-12)17-14-18-19-15(23-14)24(21,22)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,20)","""AuxInfo=1/1/N:15,14,16,21,22,13,17,20,23,11,12,19,2,4,7,24,3,5,6,1,9,10,18,8/E:(2,3)(6,7)(21,22)/CRV:24.6/rA:24OCNCNNCSOOCCCCCCCSCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;d8;d8;s8;s11;d12;s13;d14;s15;s12d16;s4s7;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3887613,PATENT:US9192603B2,2015.0,PATENT:US9192603B2,2015,0,1,0,0,0,,<,  5.000,5.0,0.0,0.0,1.0,5.0,0.0
-ZXNGHKGWIDGULE_on_P18507_WT,Low,ChEMBL30,CHEMBL426988,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,ZXNGHKGWIDGULE,ZXNGHKGWIDGULE-UHFFFAOYSA-N,"InChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-ZXNGHKGWIDGULE_on_P47869_WT,Low,ChEMBL30,CHEMBL426988,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,ZXNGHKGWIDGULE,ZXNGHKGWIDGULE-UHFFFAOYSA-N,"InChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-ZXNGHKGWIDGULE_on_P47870_WT,Low,ChEMBL30,CHEMBL426988,CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1,ZXNGHKGWIDGULE,ZXNGHKGWIDGULE-UHFFFAOYSA-N,"InChI=1S/C18H13BrCl2N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,19,24,20,23,15,16,12,7,18,21,13,10,6,9,17,4,22,14,11,25,8,5,3/E:(3,4)(5,6)/rA:25CCOCOCCNCCClCCClCCCCCCCBrCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;s10;d12;s13;s13;s9d15;s8;s17;d18;s19;d20;s21;s21;s18d23;s6d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL831818,PMID:15801854,2005.0,PMID:15801854,2005,0,1,0,0,0,,=,  6.720,6.72,0.0,0.0,1.0,6.72,0.0
-ZXOJYKOGKAXEMM_on_Q14416_WT,High,ChEMBL30,CHEMBL4091370,COc1ncc(CNc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2F)cc1,ZXOJYKOGKAXEMM,ZXOJYKOGKAXEMM-UHFFFAOYSA-N,"InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3","""AuxInfo=1/0/N:1,25,26,33,11,10,34,29,28,23,30,7,5,24,6,12,13,31,9,22,3,14,19,15,32,16,17,18,8,4,21,20,27,2/E:(2,3)(26,27,28)/rA:34COCNCCCNCCCCCCCFFFCNNCCCCCNCCCCFCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;s12;d13;s14;s15;s15;s15;s14;d19;s20;d21;s22;s23;s24;s24s25;s19s22;s27;s13d28;s12;s9d30;s31;s6;s3d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL4040510;CHEMBL4040508;CHEMBL4040507,PMID:28704052,2017.0,PMID:28704052,2017,0,0;1;0,0;0;1,1;0;0,0,,=,  8.690;  8.230;  8.540,8.487,0.192,0.135,3.0,8.54,0.15
-ZXRANHVDPNPSDO_on_P41594_WT,Medium,ChEMBL30,CHEMBL3958977,O=C1OC2(CC2)CN1c1ccc(C#Cc2cccnc2)cn1,ZXRANHVDPNPSDO,ZXRANHVDPNPSDO-UHFFFAOYSA-N,"InChI=1S/C17H13N3O2/c21-16-20(12-17(22-16)7-8-17)15-6-5-14(11-19-15)4-3-13-2-1-9-18-10-13/h1-2,5-6,9-11H,7-8,12H2","""AuxInfo=1/0/N:17,16,14,13,11,10,5,6,18,20,21,7,15,12,9,2,4,19,22,8,1,3/E:(7,8)/rA:22OCOCCCCNCCCCCCCCCCNCCN/rB:d1;s2;s3;s4;s4s5;s4;s2s7;s8;d9;s10;d11;s12;t13;s14;d15;s16;d17;s18;s15d19;s12;s9d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.240,7.24,0.0,0.0,1.0,7.24,0.0
-ZXRVKCBLGJOCEE_on_P14867_WT,Low,ChEMBL30,CHEMBL312443,Oc1noc2c1CCNC2,ZXRVKCBLGJOCEE,ZXRVKCBLGJOCEE-UHFFFAOYSA-N,"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)","""AuxInfo=1/1/N:7,8,10,6,5,2,9,3,1,4/rA:10OCNOCCCCNC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.850;  4.850,4.85,0.0,0.0,2.0,4.85,0.0
-ZXRVKCBLGJOCEE_on_P18507_WT,Low,ChEMBL30,CHEMBL312443,Oc1noc2c1CCNC2,ZXRVKCBLGJOCEE,ZXRVKCBLGJOCEE-UHFFFAOYSA-N,"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)","""AuxInfo=1/1/N:7,8,10,6,5,2,9,3,1,4/rA:10OCNOCCCCNC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.850;  4.850,4.85,0.0,0.0,2.0,4.85,0.0
-ZXRVKCBLGJOCEE_on_P47870_WT,Low,ChEMBL30,CHEMBL312443,Oc1noc2c1CCNC2,ZXRVKCBLGJOCEE,ZXRVKCBLGJOCEE-UHFFFAOYSA-N,"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)","""AuxInfo=1/1/N:7,8,10,6,5,2,9,3,1,4/rA:10OCNOCCCCNC/rB:s1;d2;s3;s4;s2d5;s6;s7;s8;s5s9;/rC:;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL2317989,PMID:23294161,2013.0,PMID:23294161,2013,0,1,0,0,0,,=,  4.850;  4.850,4.85,0.0,0.0,2.0,4.85,0.0
-ZXTANELFHSDZOB_on_P47869_WT,Medium,ChEMBL30,CHEMBL3647537,CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)c1,ZXTANELFHSDZOB,ZXTANELFHSDZOB-UHFFFAOYSA-N,"InChI=1S/C23H20FN5O2S/c1-4-29-13-26-22-20(12-27-28-23(22)29)15-5-8-21(24)19(10-15)18-7-6-17(9-16(18)11-25)32(30,31)14(2)3/h5-10,12-14H,4H2,1-3H3","""AuxInfo=1/0/N:1,26,27,2,13,20,19,14,28,32,30,10,4,25,12,29,21,18,17,11,15,6,7,16,31,5,9,8,3,23,24,22/E:(2,3)(30,31)/CRV:32.6/rA:32CCNCNCCNNCCCCCCFCCCCCSOOCCCCCCNC/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s9;s6d10;s11;d12;s13;d14;s15;s15;s17;d18;s19;d20;s21;d22;d22;s22;s25;s25;s21;s18d28;s29;t30;s12d17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL3706142,PATENT:US8952008B2,2015.0,PATENT:US8952008B2,2015,0,0,0,1,0,,=,  6.970,6.97,0.0,0.0,1.0,6.97,0.0
-ZXTBBQGJJBRESR_on_Q14833_WT,High,ChEMBL30,CHEMBL1909436,Cn1c(C(=O)Nc2c(Cl)cc(NC(=O)c3ccccn3)cc2)cc2c1cccc2,ZXTBBQGJJBRESR,ZXTBBQGJJBRESR-UHFFFAOYSA-N,"InChI=1S/C22H17ClN4O2/c1-27-19-8-3-2-6-14(19)12-20(27)22(29)26-17-10-9-15(13-16(17)23)25-21(28)18-7-4-5-11-24-18/h2-13H,1H3,(H,25,28)(H,26,29)","""AuxInfo=1/1/N:1,28,27,17,18,29,16,26,21,22,19,23,10,24,11,8,7,15,25,3,13,4,9,20,12,6,2,14,5/rA:29CNCCONCCClCCNCOCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s8;d10;s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s11;s7d21;d3;s23;s2d24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL1678441,PMID:21247167,2011.0,PMID:21247167,2011,0,1,0,0,0,,=,  5.330,5.33,0.0,0.0,1.0,5.33,0.0
-ZXYMHGABHZSFOI_on_O00591_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O00591_WT,O00591,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_O14764_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",O14764_WT,O14764,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P14867_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P18505_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18505_WT,P18505,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P18507_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P28472_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P31644_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P34903_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P47869_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P47870_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P48169_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P48169_WT,P48169,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_P78334_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",P78334_WT,P78334,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_Q8N1C3_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q8N1C3_WT,Q8N1C3,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_Q9UN88_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q9UN88_WT,Q9UN88,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_Q16445_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q16445_WT,Q16445,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZXYMHGABHZSFOI_on_Q99928_WT,Low,ChEMBL30,CHEMBL55418,O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2,ZXYMHGABHZSFOI,ZXYMHGABHZSFOI-UHFFFAOYSA-N,"InChI=1S/C15H9ClO3/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8,17H","""AuxInfo=1/0/N:10,11,9,18,19,6,15,3,5,16,7,14,2,13,4,17,8,1,12/rA:19OCCCCCCOCCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;d7;s9;s5d10;s4;s12;s2d13;s14;d15;s16;s16;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q99928_WT,Q99928,WT,CHEMBL877825,PMID:11384234,2001.0,PMID:11384234,2001,0,0,0,1,0,,=,  6.070,6.07,0.0,0.0,1.0,6.07,0.0
-ZYBBFXGBKSOYGP_on_P41594_WT,Low,ChEMBL30,CHEMBL1784051,C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O,ZYBBFXGBKSOYGP,ZYBBFXGBKSOYGP-UHFFFAOYSA-N,"InChI=1S/C19H13ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h1,4-9,11H,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,11,10,3,16,21,18,6,7,14,13,8,25,22,9,15,4,17,26,12/E:(4,5)(6,7)/rA:26CCCNCCCCNCCSCCNCNCCCCClCCCO/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s8;s12;s7d13;s14;d15;s16;s17;d18;s19;d20;s21;s21;s18d23;s13s17;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL1786745,PMID:19433355,2009.0,PMID:19433355,2009,1,0,0,0,0,,<,  5.523,5.523,0.0,0.0,1.0,5.523,0.0
-ZYBBFXGBKSOYGP_on_Q13255_WT,High,ExCAPE-DB;ChEMBL30,54586817;CHEMBL1784051,C#CCN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1,ZYBBFXGBKSOYGP,ZYBBFXGBKSOYGP-UHFFFAOYSA-N,"InChI=1S/C19H13ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h1,4-9,11H,10H2,2H3","""AuxInfo=1/0/N:1,5,2,20,23,19,24,7,8,3,25,21,18,6,11,12,13,10,15,22,9,26,4,17,16,14/E:(4,5)(6,7)/rA:26CCCNCCCCNCCCCSCONCCCCClCCCN/rB:t1;s2;s3;s4;s4;d6;s7;d8;s9;s6d10;s11;d12;s10s13;s13;d15;s15;s17;d18;s19;d20;s21;s21;s18d23;s17;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:599762;CHEMBL1786743,PMID:19433355,2009.0,PubChemAID:599762;PMID:19433355,2012;2009,0;1,0,0,0,1;0,,=,  8.420;  8.420,8.42,0.0,0.0,2.0,8.42,0.0
-ZYBYOMSGZIRQFA_on_O15399_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O15399_WT,O15399,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.540;  5.820,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_O60391_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",O60391_WT,O60391,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.540;  5.820,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_Q8TCU5_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q8TCU5_WT,Q8TCU5,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820;  4.540,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_Q05586_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  4.540;  5.820,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_Q12879_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820;  4.540,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_Q13224_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820;  4.540,5.18,0.64,0.64,2.0,5.18,0.64
-ZYBYOMSGZIRQFA_on_Q14957_WT,Low,ChEMBL30,CHEMBL295178,O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O,ZYBYOMSGZIRQFA,ZYBYOMSGZIRQFA-UHFFFAOYSA-N,"InChI=1S/C8H4ClN3O4/c9-4-2-1-3-6(13)5(12(15)16)8(14)11-7(3)10-4/h1-2H,(H2,10,11,13,14)","""AuxInfo=1/1/N:13,12,14,10,4,15,8,5,11,9,7,2,16,6,1,3/E:(15,16)/CRV:12.5/rA:16ON+O-CCONCNCClCCCCO/rB:d1;s2;s2;d4;s5;s5;d7;s8;d9;s10;s10;d12;s8s13;s4d14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14957_WT,Q14957,WT,CHEMBL752467,PMID:12699379,2003.0,PMID:12699379,2003,1,0,0,0,0,,=,  5.820;  4.540,5.18,0.64,0.64,2.0,5.18,0.64
-ZYEGAYHGEQOYEW_on_Q14416_WT,Low,ChEMBL30,CHEMBL593477,CCc1cnc2c(C#N)c(N3CCN(c4ncccn4)CC3)ccn12,ZYEGAYHGEQOYEW,ZYEGAYHGEQOYEW-UHFFFAOYSA-N,"InChI=1S/C18H19N7/c1-2-14-13-22-17-15(12-19)16(4-7-25(14)17)23-8-10-24(11-9-23)18-20-5-3-6-21-18/h3-7,13H,2,8-11H2,1H3","""AuxInfo=1/0/N:1,2,18,23,17,19,24,12,22,13,21,8,4,3,7,10,6,15,9,16,20,5,11,14,25/E:(5,6)(8,9)(10,11)(20,21)/rA:25CCCCNCCCNCNCCNCNCCCNCCCCN/rB:s1;s2;d3;s4;d5;s6;s7;t8;d7;s10;s11;s12;s13;s14;d15;s16;d17;s18;s15d19;s14;s11s21;s10;d23;s3s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL1047687,PMID:19932615,2010.0,PMID:19932615,2010,0,1,0,0,0,,<,  5.500,5.5,0.0,0.0,1.0,5.5,0.0
-ZYFKTOSKEONTMC_on_P41594_WT,High,ChEMBL30,CHEMBL2426615,O=C1c2c(CCN1c1ccc(F)cc1)nc(OCc1ccccc1)s2,ZYFKTOSKEONTMC,ZYFKTOSKEONTMC-UHFFFAOYSA-N,"InChI=1S/C19H15FN2O2S/c20-14-6-8-15(9-7-14)22-11-10-16-17(18(22)23)25-19(21-16)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2","""AuxInfo=1/0/N:22,21,23,20,24,10,13,9,14,5,6,18,19,11,8,4,3,2,16,12,15,7,1,17,25/E:(2,3)(4,5)(6,7)(8,9)/rA:25OCCCCCNCCCCFCCNCOCCCCCCCS/rB:d1;s2;d3;s4;s5;s2s6;s7;d8;s9;d10;s11;s11;s8d13;s4;d15;s16;s17;s18;d19;s20;d21;s22;s19d23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2426830,PMID:23947773,2013.0,PMID:23947773,2013,0,1,0,0,0,,=,  5.950;  5.950,5.95,0.0,0.0,2.0,5.95,0.0
-ZYIPQBOVIIOMAE_on_P41594_WT,Medium,ChEMBL30,CHEMBL3920377,Cn1cc(C#Cc2ccc(N3CC(C)(C)OC3=O)nc2)cn1,ZYIPQBOVIIOMAE,ZYIPQBOVIIOMAE-UHFFFAOYSA-N,"InChI=1S/C16H16N4O2/c1-16(2)11-20(15(21)22-16)14-7-6-12(8-17-14)4-5-13-9-18-19(3)10-13/h6-10H,11H2,1-3H3","""AuxInfo=1/0/N:14,15,1,6,5,8,9,20,21,3,12,7,4,10,17,13,19,22,2,11,18,16/E:(1,2)/rA:22CNCCCCCCCCNCCCCOCONCCN/rB:s1;s2;d3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s13;s13;s13;s11s16;d17;s10;s7d19;s4;s2d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.580,7.58,0.0,0.0,1.0,7.58,0.0
-ZYMZYPITWAKBMK_on_P41594_WT,Medium,ChEMBL30,CHEMBL186660,COc1ncc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cn1,ZYMZYPITWAKBMK,ZYMZYPITWAKBMK-UHFFFAOYSA-N,"InChI=1S/C17H13N7O/c1-25-17-19-10-13(11-20-17)12-5-4-6-14(9-12)24-22-16(21-23-24)15-7-2-3-8-18-15/h2-11H,1H3","""AuxInfo=1/0/N:1,20,19,9,8,10,21,18,23,5,24,7,6,11,16,15,3,17,4,25,14,22,13,12,2/E:(10,11)(19,20)/rA:25COCNCCCCCCCNNNCCNCCCCNCCN/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;s11;s12;d13;s14;s15;d16;s17;d18;s19;s16d20;s12d15;s7d11;s6;s3d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL833227,PMID:15482909,2004.0,PMID:15482909,2004,1,0,0,0,0,,=,  6.510,6.51,0.0,0.0,1.0,6.51,0.0
-ZYNLKOBSABPBTP_on_P41594_WT,High,ChEMBL30;ExCAPE-DB,CHEMBL2403689;71713018,O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2,ZYNLKOBSABPBTP,ZYNLKOBSABPBTP-UHFFFAOYSA-N,"InChI=1S/C19H16F2N2OS/c20-19(21)10-14(11-19)18(24)23-9-8-15-16(12-23)25-17(22-15)7-6-13-4-2-1-3-5-13/h1-5,14H,8-12H2","""AuxInfo=1/0/N:22,21,23,20,24,18,17,11,10,4,8,14,19,3,12,13,16,2,5,6,7,25,9,1,15/E:(2,3)(4,5)(10,11)(20,21)/rA:25OCCCCFFCNCCCCCSCCCCCCCCCN/rB:d1;s2;s3;s4;s5;s5;s3s5;s2;s9;s10;s11;d12;s9s13;s13;s15;s16;t17;s18;d19;s20;d21;s22;s19d23;s12d16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL2405254;PubChemAID:759037,PMID:23770058,2013.0,PMID:23770058;PubChemAID:759037,2013;2014,0,1;0,0,0,0;1,,=,  7.750;  7.745,7.747999999999999,0.003,0.003,2.0,7.747999999999999,0.002
-ZYSNMDZTNMILCO_on_Q05586_WT,Low,ChEMBL30,CHEMBL596016,CS(=O)(=O)NC1C=CC(CCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)=CC1,ZYSNMDZTNMILCO,ZYSNMDZTNMILCO-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O4S/c1-28(26,27)23-14-6-2-12(3-7-14)5-9-17(24)21-22-18(25)11-13-4-8-15(19)16(20)10-13/h2-4,6,8,10,14,23H,5,7,9,11H2,1H3,(H,21,24)(H,22,25)","""AuxInfo=1/1/N:1,8,27,20,10,7,28,21,11,26,18,9,19,6,22,24,12,16,23,25,14,15,5,13,17,3,4,2/E:(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONNCOCCCCCClCClCCC/rB:s1;d2;d2;s2;s5;s6;w?7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;w?9;s6s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-ZYSNMDZTNMILCO_on_Q13224_WT,Low,ChEMBL30,CHEMBL596016,CS(=O)(=O)NC1C=CC(CCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)=CC1,ZYSNMDZTNMILCO,ZYSNMDZTNMILCO-UHFFFAOYSA-N,"InChI=1S/C18H21Cl2N3O4S/c1-28(26,27)23-14-6-2-12(3-7-14)5-9-17(24)21-22-18(25)11-13-4-8-15(19)16(20)10-13/h2-4,6,8,10,14,23H,5,7,9,11H2,1H3,(H,21,24)(H,22,25)","""AuxInfo=1/1/N:1,8,27,20,10,7,28,21,11,26,18,9,19,6,22,24,12,16,23,25,14,15,5,13,17,3,4,2/E:(26,27)/CRV:28.6/rA:28CSOONCCCCCCCONNCOCCCCCClCClCCC/rB:s1;d2;d2;s2;s5;s6;w?7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s22;s22;s24;s19d24;w?9;s6s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1047803,PMID:19648014,2009.0,PMID:19648014,2009,1,0,0,0,0,,=,  5.240,5.24,0.0,0.0,1.0,5.24,0.0
-ZYYFEHLCIDSZSW_on_Q05586_WT,Low,ChEMBL30,CHEMBL1289628,O=S(=O)(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccccc1,ZYYFEHLCIDSZSW,ZYYFEHLCIDSZSW-UHFFFAOYSA-N,"InChI=1S/C19H23NO4S/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-25(23,24)17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2","""AuxInfo=1/0/N:23,22,24,5,21,25,13,12,9,6,8,4,16,19,10,14,20,11,17,7,15,18,1,3,2/E:(2,3)(5,6)(23,24)/CRV:25.6/rA:25OSOCCCNCCCCCCCOCCOCCCCCCC/rB:d1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s10d14;s11;s17;s7s17;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZYYFEHLCIDSZSW_on_Q13224_WT,Low,ChEMBL30,CHEMBL1289628,O=S(=O)(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccccc1,ZYYFEHLCIDSZSW,ZYYFEHLCIDSZSW-UHFFFAOYSA-N,"InChI=1S/C19H23NO4S/c21-16-7-8-18-15(13-16)9-11-20(14-19(18)22)10-4-12-25(23,24)17-5-2-1-3-6-17/h1-3,5-8,13,19,21-22H,4,9-12,14H2","""AuxInfo=1/0/N:23,22,24,5,21,25,13,12,9,6,8,4,16,19,10,14,20,11,17,7,15,18,1,3,2/E:(2,3)(5,6)(23,24)/CRV:25.6/rA:25OSOCCCNCCCCCCCOCCOCCCCCCC/rB:d1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s13;s14;s10d14;s11;s17;s7s17;s2;d20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL1292494,PMID:20965739,2010.0,PMID:20965739,2010,0,0,0,1,0,,<,  6.000,6.0,0.0,0.0,1.0,6.0,0.0
-ZZADNHJXEHLUIW_on_Q14833_WT,High,ChEMBL30,CHEMBL3808889,O=C(Nc1cn(S(=O)(=O)c2ncc(Cl)cc2)cc1)c1ccccn1,ZZADNHJXEHLUIW,ZZADNHJXEHLUIW-UHFFFAOYSA-N,"InChI=1S/C15H11ClN4O3S/c16-11-4-5-14(18-9-11)24(22,23)20-8-6-12(10-20)19-15(21)13-3-1-2-7-17-13/h1-10H,(H,19,21)","""AuxInfo=1/1/N:21,22,20,15,16,18,23,17,12,5,13,4,19,10,2,14,24,11,3,6,1,8,9,7/E:(22,23)/CRV:24.6/rA:24OCNCCNSOOCNCCClCCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s13;s10d15;s6;s4d17;s2;d19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL3810852,PMID:27234146,2016.0,PMID:27234146,2016,0,1,0,0,0,,=,  6.460;  6.460,6.46,0.0,0.0,2.0,6.46,0.0
-ZZBWUWGXCWXVJV_on_P41594_WT,Medium,ChEMBL30,CHEMBL3905566,CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC12CC2,ZZBWUWGXCWXVJV,ZZBWUWGXCWXVJV-UHFFFAOYSA-N,"InChI=1S/C18H16N4O/c1-21-17(23)22(13-18(21)9-10-18)16-19-11-15(12-20-16)8-7-14-5-3-2-4-6-14/h2-6,11-12H,9-10,13H2,1H3","""AuxInfo=1/0/N:1,15,14,16,13,17,11,10,22,23,8,18,20,12,9,6,3,21,7,19,2,5,4/E:(3,4)(5,6)(9,10)(11,12)(19,20)/rA:23CNCONCNCCCCCCCCCCCNCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s9;t10;s11;d12;s13;d14;s15;s12d16;s9;s6d18;s5;s2s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3888312,PATENT:US9315498B2,2016.0,PATENT:US9315498B2,2016,0,1,0,0,0,,=,  7.600,7.6,0.0,0.0,1.0,7.6,0.0
-ZZDQKZBQRFBMBW_on_Q14833_WT,High,ChEMBL30,CHEMBL4063474,ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OCCN1CCOCC1)cc2,ZZDQKZBQRFBMBW,ZZDQKZBQRFBMBW-UHFFFAOYSA-N,"InChI=1S/C22H21N3O4S/c26-24-18-12-21(19-13-22-15(14-23-19)3-10-30-22)29-20-2-1-16(11-17(18)20)28-9-6-25-4-7-27-8-5-25/h1-3,10-14,26H,4-9H2","""AuxInfo=1/0/N:29,30,10,24,28,22,25,27,21,11,18,4,14,8,9,19,17,3,6,16,5,13,7,2,23,1,26,20,15,12/E:(4,5)(7,8)/rA:30ONCCCCNCCCCSCCOCCCCOCCNCCOCCCC/rB:s1;w?2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s9s12;s6d13;s5;s15;s3d16;s17;d18;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s19;s16d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4019814,PMID:28902994,2017.0,PMID:28902994,2017,0,1,0,0,0,,=,  7.460,7.46,0.0,0.0,1.0,7.46,0.0
-ZZHJIIGEEWQXPG_on_P41594_WT,High,ChEMBL30,CHEMBL3702441,Cc1ncc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)s1,ZZHJIIGEEWQXPG,ZZHJIIGEEWQXPG-UHFFFAOYSA-N,"InChI=1S/C23H21N5OS/c1-14-24-10-21(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-22(25-11-23(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,28,4,17,27,21,2,24,11,10,6,23,29,5,19,15,3,18,22,20,14,16,30/E:(5,6)/rA:30CCNCCCCCCCCCCNCOCNCNCNCCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,CHEMBL3706272,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  7.470,7.47,0.0,0.0,1.0,7.47,0.0
-ZZHJIIGEEWQXPG_on_Q13255_WT,Medium,ChEMBL30,CHEMBL3702441,Cc1ncc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)s1,ZZHJIIGEEWQXPG,ZZHJIIGEEWQXPG-UHFFFAOYSA-N,"InChI=1S/C23H21N5OS/c1-14-24-10-21(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-22(25-11-23(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3","""AuxInfo=1/0/N:1,8,9,7,25,26,12,13,28,4,17,27,21,2,24,11,10,6,23,29,5,19,15,3,18,22,20,14,16,30/E:(5,6)/rA:30CCNCCCCCCCCCCNCOCNCNCNCCCCCCCS/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;s6d10;s11;s12;s13;s14;d15;s15;s17;w?18;s19;s20;d21;s22;s23;s24;s24s25;s20d23;s19;s10s14w?28;s2s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,CHEMBL3887075,PATENT:US8853203B2,2014.0,PATENT:US8853203B2,2014,1,0,0,0,0,,=,  5.410,5.41,0.0,0.0,1.0,5.41,0.0
-ZZKJOINTECJJPA_on_Q05586_WT,Low,ChEMBL30,CHEMBL3606062,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZZKJOINTECJJPA,ZZKJOINTECJJPA-UHFFFAOYSA-N,"InChI=1S/C32H36N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,18,19,17,20,12,27,11,26,16,21,13,28,10,25,4,32,15,22,3,33,7,36,8,29,6,30,9,24,5,31,2,34,14,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/CRV:33+1,34+1/rA:36CN+CCCCCCCCCCCNCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s29;s23d30;s31;d32;s33;s34;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q05586_WT,Q05586,WT,CHEMBL3608122;CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.820;  6.240,6.03,0.21,0.21,2.0,6.03,0.21
-ZZKJOINTECJJPA_on_Q12879_WT,Low,ChEMBL30,CHEMBL3606062,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZZKJOINTECJJPA,ZZKJOINTECJJPA-UHFFFAOYSA-N,"InChI=1S/C32H36N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,18,19,17,20,12,27,11,26,16,21,13,28,10,25,4,32,15,22,3,33,7,36,8,29,6,30,9,24,5,31,2,34,14,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/CRV:33+1,34+1/rA:36CN+CCCCCCCCCCCNCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s29;s23d30;s31;d32;s33;s34;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q12879_WT,Q12879,WT,CHEMBL3608120,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  6.240,6.24,0.0,0.0,1.0,6.24,0.0
-ZZKJOINTECJJPA_on_Q13224_WT,Low,ChEMBL30,CHEMBL3606062,C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2,ZZKJOINTECJJPA,ZZKJOINTECJJPA-UHFFFAOYSA-N,"InChI=1S/C32H36N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3/q+2","""AuxInfo=1/0/N:1,35,18,19,17,20,12,27,11,26,16,21,13,28,10,25,4,32,15,22,3,33,7,36,8,29,6,30,9,24,5,31,2,34,14,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/CRV:33+1,34+1/rA:36CN+CCCCCCCCCCCNCCCCCCCCNCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;s5;s2d6;s6;d8;s9;d10;s11;s8d12;s5s9;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;d24;s25;d26;s27;s24d28;s29;s23d30;s31;d32;s33;s34;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q13224_WT,Q13224,WT,CHEMBL3608122,PMID:26278660,2015.0,PMID:26278660,2015,1,0,0,0,0,,=,  5.820,5.82,0.0,0.0,1.0,5.82,0.0
-ZZLYBXAWOCJNDA_on_Q14416_WT,Medium,ChEMBL30,CHEMBL3953345,NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1,ZZLYBXAWOCJNDA,ZZLYBXAWOCJNDA-UHFFFAOYSA-N,"InChI=1S/C20H14FN5O3/c21-13-4-2-12(3-5-13)15-8-17(19(22)27)23-16-7-11(1-6-14(15)16)9-26-10-18(20(28)29)24-25-26/h1-8,10H,9H2,(H2,22,27)(H,28,29)","""AuxInfo=1/1/N:16,8,13,9,12,15,27,5,18,20,17,7,10,14,6,28,4,21,2,22,11,1,29,25,26,19,3,23,24/E:(2,3)(4,5)(28,29)/rA:29NCOCCCCCCCFCCCCCCCNCCCOONNCCN/rB:s1;d2;s2;d4;s5;s6;d7;s8;d9;s10;s10;s7d12;d6;s14;d15;s16;s17;s18;s19;d20;s21;d22;s22;s21;s19d25;d17;s14s27;s4d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3888122,PATENT:US9278960B2,2016.0,PATENT:US9278960B2,2016,1,0,0,0,0,,=,  7.080,7.08,0.0,0.0,1.0,7.08,0.0
-ZZPFPKMHVPSPDP_on_P31644_WT,High,ChEMBL30,CHEMBL3681507,Cc1c(COc2ccc(C(=O)NC(CO)CC(C)C)cn2)c(-c2ccccc2)no1,ZZPFPKMHVPSPDP,ZZPFPKMHVPSPDP-UHFFFAOYSA-N,"InChI=1S/C23H27N3O4/c1-15(2)11-19(13-27)25-23(28)18-9-10-21(24-12-18)29-14-20-16(3)30-26-22(20)17-7-5-4-6-8-17/h4-10,12,15,19,27H,11,13-14H2,1-3H3,(H,25,28)","""AuxInfo=1/1/N:18,19,1,26,25,27,24,28,8,7,16,20,14,4,17,2,23,9,13,3,6,22,10,21,12,29,15,11,5,30/E:(1,2)(5,6)(7,8)/rA:30CCCCOCCCCCONCCOCCCCCNCCCCCCCNO/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;s14;s13;s16;s17;s17;s9;s6d20;s3;s22;d23;s24;d25;s26;s23d27;d22;s2s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL3705480,PATENT:US8846719B2,2014.0,PATENT:US8846719B2,2014,0,0,0,1,0,,=,  7.960,7.96,0.0,0.0,1.0,7.96,0.0
-ZZRJCUKLHRXQOS_on_P14867_WT,Low,ChEMBL30,CHEMBL458320,CC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,ZZRJCUKLHRXQOS,ZZRJCUKLHRXQOS-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3","""AuxInfo=1/0/N:1,7,13,12,16,18,2,14,10,11,4,5,8,15,19,6,17,3,9/rA:19CCOCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s5s11;s17;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ZZRJCUKLHRXQOS_on_P18507_WT,Low,ChEMBL30,CHEMBL458320,CC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,ZZRJCUKLHRXQOS,ZZRJCUKLHRXQOS-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3","""AuxInfo=1/0/N:1,7,13,12,16,18,2,14,10,11,4,5,8,15,19,6,17,3,9/rA:19CCOCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s5s11;s17;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ZZRJCUKLHRXQOS_on_P28472_WT,Low,ChEMBL30,CHEMBL458320,CC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,ZZRJCUKLHRXQOS,ZZRJCUKLHRXQOS-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3","""AuxInfo=1/0/N:1,7,13,12,16,18,2,14,10,11,4,5,8,15,19,6,17,3,9/rA:19CCOCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s5s11;s17;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL948526,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  4.760,4.76,0.0,0.0,1.0,4.76,0.0
-ZZRJCUKLHRXQOS_on_P31644_WT,Medium,ChEMBL30,CHEMBL458320,CC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1,ZZRJCUKLHRXQOS,ZZRJCUKLHRXQOS-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3","""AuxInfo=1/0/N:1,7,13,12,16,18,2,14,10,11,4,5,8,15,19,6,17,3,9/rA:19CCOCCNCCOCCCCCClCNCN/rB:s1;d2;s2;d4;s5;s6;s6;d8;s8;d10;s11;d12;s13;s14;s10d14;s5s11;s17;s4d18;/rC:;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL991887,PMID:18537233,2008.0,PMID:18537233,2008,0,0,0,1,0,,=,  5.580,5.58,0.0,0.0,1.0,5.58,0.0
-ZZTJJGWSKYVZIG_on_P14867_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL680293;CHEMBL681641,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.350;  7.350,7.35,0.0,0.0,2.0,7.35,0.0
-ZZTJJGWSKYVZIG_on_P18507_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P18507_WT,P18507,WT,CHEMBL681405;CHEMBL682253;CHEMBL681641;CHEMBL685339;CHEMBL680293;CHEMBL681090;CHEMBL683015;CHEMBL685340,PMID:11881985,2002.0,PMID:12747794;PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985;PMID:11881985,2003;2003;2003;2003;2002;2002;2002;2002,0,0,0,1,0,,=,  7.580;  7.600;  7.350;  8.770;  7.350;  7.600;  7.580;  8.770,7.825,0.5539999999999999,0.21,8.0,7.59,0.125
-ZZTJJGWSKYVZIG_on_P28472_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P28472_WT,P28472,WT,CHEMBL685339;CHEMBL683015;CHEMBL681641;CHEMBL681405;CHEMBL682253;CHEMBL681090;CHEMBL685340;CHEMBL680293,PMID:11881985,2002.0,PMID:12747794;PMID:11881985;PMID:12747794;PMID:12747794;PMID:12747794;PMID:11881985;PMID:11881985;PMID:11881985,2003;2002;2003;2003;2003;2002;2002;2002,0,0,0,1,0,,=,  8.770;  7.580;  7.350;  7.580;  7.600;  7.600;  8.770;  7.350,7.825,0.5539999999999999,0.21,8.0,7.59,0.125
-ZZTJJGWSKYVZIG_on_P31644_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P31644_WT,P31644,WT,CHEMBL685340;CHEMBL685339,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  8.770;  8.770,8.77,0.0,0.0,2.0,8.77,0.0
-ZZTJJGWSKYVZIG_on_P34903_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P34903_WT,P34903,WT,CHEMBL681090;CHEMBL682253,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.600;  7.600,7.6,0.0,0.0,2.0,7.6,0.0
-ZZTJJGWSKYVZIG_on_P47869_WT,Low,ChEMBL30,CHEMBL17698,CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1,ZZTJJGWSKYVZIG,ZZTJJGWSKYVZIG-UHFFFAOYSA-N,"InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3","""AuxInfo=1/0/N:9,10,1,18,17,19,16,11,7,12,14,5,4,13,3,8,15,6,2,20/E:(1,2)/rA:20CSCCCOCCCCCCCCNCCCCS/rB:s1;s2;d3;s4;d5;s5;s7;s8;s8;s8;s4s11;d12;s13;d14;s15;d16;s17;s14d18;s3s13;/rC:;;;;;;;;;;;;;;;;;;;;""",P47869_WT,P47869,WT,CHEMBL683015;CHEMBL681405,PMID:11881985,2002.0,PMID:11881985;PMID:12747794,2002;2003,0,0,0,1,0,,=,  7.580;  7.580,7.58,0.0,0.0,2.0,7.58,0.0
-ZZTYXXFXVOYJRX_on_O00222_WT,High,ChEMBL30,CHEMBL4063991,COc1c(O)c([N+](=O)[O-])cc(CP(=O)(O)CCC(N)C(=O)O)c1,ZZTYXXFXVOYJRX,ZZTYXXFXVOYJRX-UHFFFAOYSA-N,"InChI=1S/C12H17N2O8P/c1-22-10-5-7(4-9(11(10)15)14(18)19)6-23(20,21)3-2-8(13)12(16)17/h4-5,8,15H,2-3,6,13H2,1H3,(H,16,17)(H,20,21)","""AuxInfo=1/1/N:1,17,16,10,23,12,11,18,6,3,4,20,19,7,5,21,22,8,9,14,15,2,13/E:(16,17)(18,19)(20,21)/CRV:14.5/rA:23COCCOCN+OO-CCCPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;d13;s13;s13;s16;s17;s18;s18;d20;s20;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,CHEMBL4037499,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.550,4.55,0.0,0.0,1.0,4.55,0.0
-ZZTYXXFXVOYJRX_on_Q14833_WT,High,ChEMBL30,CHEMBL4063991,COc1c(O)c([N+](=O)[O-])cc(CP(=O)(O)CCC(N)C(=O)O)c1,ZZTYXXFXVOYJRX,ZZTYXXFXVOYJRX-UHFFFAOYSA-N,"InChI=1S/C12H17N2O8P/c1-22-10-5-7(4-9(11(10)15)14(18)19)6-23(20,21)3-2-8(13)12(16)17/h4-5,8,15H,2-3,6,13H2,1H3,(H,16,17)(H,20,21)","""AuxInfo=1/1/N:1,17,16,10,23,12,11,18,6,3,4,20,19,7,5,21,22,8,9,14,15,2,13/E:(16,17)(18,19)(20,21)/CRV:14.5/rA:23COCCOCN+OO-CCCPOOCCCNCOOC/rB:s1;s2;d3;s4;s4;s6;d7;s7;d6;s10;s11;s12;d13;s13;s13;s16;s17;s18;s18;d20;s20;s3d11;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,CHEMBL4037498,PMID:29397723,2018.0,PMID:29397723,2018,0,1,0,0,0,,=,  4.720,4.72,0.0,0.0,1.0,4.72,0.0
-ZZVCORQGJBSHDI_on_P14867_WT,Low,ChEMBL30,CHEMBL1814290,C=CCc1cc(-c2c(O)ccc(CC(C)Br)c2)ccc1OC,ZZVCORQGJBSHDI,ZZVCORQGJBSHDI-UHFFFAOYSA-N,"InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,15,22,2,3,11,18,10,19,13,17,5,14,12,6,4,7,8,20,16,9,21/rA:22CCCCCCCCOCCCCCCBrCCCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s14;s7d12;d6;s18;s4d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P14867_WT,P14867,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-ZZVCORQGJBSHDI_on_P47870_WT,Low,ChEMBL30,CHEMBL1814290,C=CCc1cc(-c2c(O)ccc(CC(C)Br)c2)ccc1OC,ZZVCORQGJBSHDI,ZZVCORQGJBSHDI-UHFFFAOYSA-N,"InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3","""AuxInfo=1/0/N:1,15,22,2,3,11,18,10,19,13,17,5,14,12,6,4,7,8,20,16,9,21/rA:22CCCCCCCCOCCCCCCBrCCCCOC/rB:d1;s2;s3;d4;s5;s6;d7;s8;s8;d10;s11;s12;s13;s14;s14;s7d12;d6;s18;s4d19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",P47870_WT,P47870,WT,CHEMBL1816618,PMID:21699169,2011.0,PMID:21699169,2011,0,1,0,0,0,,=,  5.080,5.08,0.0,0.0,1.0,5.08,0.0
-ZZVOMHKIFBKGKB_on_Q14416_WT,High,ChEMBL30,CHEMBL3337513,N#Cc1c(N2CCC(c3c(F)cccc3)CC2)ccn(CC2CC2)c1=O,ZZVOMHKIFBKGKB,ZZVOMHKIFBKGKB-UHFFFAOYSA-N,"InChI=1S/C21H22FN3O/c22-19-4-2-1-3-17(19)16-7-10-24(11-8-16)20-9-12-25(14-15-5-6-15)21(26)18(20)13-23/h1-4,9,12,15-16H,5-8,10-11,14H2","""AuxInfo=1/0/N:14,13,15,12,23,24,7,16,18,6,17,19,2,21,22,8,9,3,10,4,25,11,1,5,20,26/E:(5,6)(7,8)(10,11)/rA:26NCCCNCCCCCFCCCCCCCCNCCCCCO/rB:t1;s2;d3;s4;s5;s6;s7;s8;d9;s10;s10;d12;s13;s9d14;s8;s5s16;s4;d18;s19;s20;s21;s22;s22s23;s3s20;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,CHEMBL3378785,PMID:25032784,2014.0,PMID:25032784,2014,0,1,0,0,0,,=,  7.090,7.09,0.0,0.0,1.0,7.09,0.0
-ABIFKGGJIMDKEJ_on_P41594_WT,Low,ExCAPE-DB,16736025,Cc1nc(C#Cc2ccc3OCOc3c2)nnc1,ABIFKGGJIMDKEJ,ABIFKGGJIMDKEJ-UHFFFAOYSA-N,"InChI=1S/C13H9N3O2/c1-9-7-14-16-13(15-9)5-3-10-2-4-11-12(6-10)18-8-17-11/h2,4,6-7H,8H2,1H3","""AuxInfo=1/0/N:1,8,6,9,5,15,18,12,2,7,10,14,4,17,3,16,11,13/rA:18CCNCCCCCCCOCOCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s12;s10s13;s7d14;d4;s16;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-ADBKGONLOTVEMM_on_O00222_WT,Low,ExCAPE-DB,73058443,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cccc(N(C)C)c3)c2C)cc1,ADBKGONLOTVEMM,ADBKGONLOTVEMM-UHFFFAOYSA-N,"InChI=1S/C24H26N2O4/c1-16-13-22(23(27)15-30-21-8-6-7-20(14-21)25(3)4)17(2)26(16)19-11-9-18(10-12-19)24(28)29-5/h6-14H,15H2,1-5H3","""AuxInfo=1/0/N:11,28,24,25,1,20,21,19,6,30,7,29,12,26,16,10,27,5,8,22,18,13,14,3,23,9,15,4,2,17/E:(3,4)(9,10)(11,12)/rA:30COCOCCCCNCCCCCOCOCCCCCNCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;s23;s18d22;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,N,,,,,,,,
-ADBKGONLOTVEMM_on_Q14833_WT,Low,ExCAPE-DB,73058443,COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cccc(N(C)C)c3)c2C)cc1,ADBKGONLOTVEMM,ADBKGONLOTVEMM-UHFFFAOYSA-N,"InChI=1S/C24H26N2O4/c1-16-13-22(23(27)15-30-21-8-6-7-20(14-21)25(3)4)17(2)26(16)19-11-9-18(10-12-19)24(28)29-5/h6-14H,15H2,1-5H3","""AuxInfo=1/0/N:11,28,24,25,1,20,21,19,6,30,7,29,12,26,16,10,27,5,8,22,18,13,14,3,23,9,15,4,2,17/E:(3,4)(9,10)(11,12)/rA:30COCOCCCCNCCCCCOCOCCCCCNCCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;s22;s23;s23;s18d22;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,N,,,,,,,,
-ADJZIASNARTHAF_on_Q14833_WT,Low,ExCAPE-DB,42443525,O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccn1,ADJZIASNARTHAF,ADJZIASNARTHAF-UHFFFAOYSA-N,"InChI=1S/C15H15N3O3S/c19-15(14-4-1-2-9-16-14)17-12-5-7-13(8-6-12)18-10-3-11-22(18,20)21/h1-2,4-9H,3,10-11H2,(H,17,19)","""AuxInfo=1/1/N:19,20,10,18,5,16,6,15,21,9,11,4,7,17,2,22,3,8,1,13,14,12/E:(5,6)(7,8)(20,21)/CRV:22.6/rA:22OCNCCCCNCCCSOOCCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;s9;s10;s8s11;d12;d12;s7;s4d15;s2;d17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408,PubChemAID:631408,2012.0,PubChemAID:631408,2012,0,0,0,0,1,N,,,,,,,,
-AKKPXGYDZXXJLI_on_Q14833_WT,Low,ExCAPE-DB,171256,O=C(O)CCC(=O)Nc1cc(Cl)cc(Cl)c1,AKKPXGYDZXXJLI,AKKPXGYDZXXJLI-UHFFFAOYSA-N,"InChI=1S/C10H9Cl2NO3/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(15)16/h3-5H,1-2H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:5,4,13,10,16,11,14,9,6,2,12,15,8,7,1,3/E:(4,5)(6,7)(11,12)(15,16)/rA:16OCOCCCONCCCClCCClC/rB:d1;s2;s2;s4;s5;d6;s6;s8;d9;s10;s11;d11;s13;s14;s9d14;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-AODFOXXSGFJIPK_on_Q14833_WT,Low,ExCAPE-DB,57396718,O=C(Cn1ccnc1)c1ccc(Cl)nc1,AODFOXXSGFJIPK,AODFOXXSGFJIPK-UHFFFAOYSA-N,"InChI=1S/C10H8ClN3O/c11-10-2-1-8(5-13-10)9(15)6-14-4-3-12-7-14/h1-5,7H,6H2","""AuxInfo=1/0/N:10,11,6,5,15,3,8,9,2,12,13,7,14,4,1/rA:15OCCNCCNCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;s4d7;s2;d9;s10;d11;s12;s12;s9d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-ASKVSPFHGNOKGP_on_Q14833_WT,Low,ExCAPE-DB,44189738,COc1cc(NC(=O)c2ccccn2)ncn1,ASKVSPFHGNOKGP,ASKVSPFHGNOKGP-UHFFFAOYSA-N,"InChI=1S/C11H10N4O2/c1-17-10-6-9(13-7-14-10)15-11(16)8-4-2-3-5-12-8/h2-7H,1H3,(H,13,14,15,16)","""AuxInfo=1/1/N:1,11,12,10,13,4,16,9,5,3,7,14,15,17,6,8,2/rA:17COCCCNCOCCCCCNNCN/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;d5;s15;s3d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197,PMID:19469556,2009.0,PubChemAID:2197,2009,0,0,0,0,1,N,,,,,,,,
-ASLBSZQMOCAVGV_on_Q14833_WT,Low,ExCAPE-DB,56587832,Fc1c(F)cc(Nc2ncnc3cccnc23)cc1,ASLBSZQMOCAVGV,ASLBSZQMOCAVGV-UHFFFAOYSA-N,"InChI=1S/C13H8F2N4/c14-9-4-3-8(6-10(9)15)19-13-12-11(17-7-18-13)2-1-5-16-12/h1-7H,(H,17,18,19)","""AuxInfo=1/1/N:14,13,18,19,15,5,10,6,2,3,12,17,8,1,4,16,11,9,7/rA:19FCCFCCNCNCNCCCCNCCC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s6;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ATJFOISDPXUMGF_on_Q14833_WT,Low,ExCAPE-DB,57403695,O=C(COc1ccccc1C1CCCCC1)c1ccc(Cl)nc1,ATJFOISDPXUMGF,ATJFOISDPXUMGF-UHFFFAOYSA-N,"InChI=1S/C19H20ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2","""AuxInfo=1/0/N:14,13,15,8,7,12,16,9,6,18,19,23,3,11,17,10,2,5,20,21,22,1,4/E:(2,3)(6,7)/rA:23OCCOCCCCCCCCCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s12;s13;s14;s11s15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-BANYHRKMJFRMCK_on_Q14833_WT,Low,ExCAPE-DB,57396752,O=C(COc1ccccc1Br)c1cnc(N2CCOCC2)cc1,BANYHRKMJFRMCK,BANYHRKMJFRMCK-UHFFFAOYSA-N,"InChI=1S/C17H17BrN2O3/c18-14-3-1-2-4-16(14)23-12-15(21)13-5-6-17(19-11-13)20-7-9-22-10-8-20/h1-6,11H,7-10,12H2","""AuxInfo=1/0/N:8,7,9,6,23,22,17,21,18,20,13,3,12,10,2,5,15,11,14,16,1,19,4/E:(7,8)(9,10)/rA:23OCCOCCCCCCBrCCNCNCCOCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s19;s16s20;s15;s12d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-BEYYWYBNNIFKOZ_on_Q14833_WT,Low,ExCAPE-DB,756841,O=C(O)C1CCCCC1C(=O)Nc1ccccn1,BEYYWYBNNIFKOZ,BEYYWYBNNIFKOZ-UHFFFAOYSA-N,"InChI=1S/C13H16N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,14,15,16)","""AuxInfo=1/1/N:7,6,15,16,8,5,14,17,9,4,13,10,2,18,12,11,1,3/E:(17,18)/rA:18OCOCCCCCCCONCCCCCN/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-BFMDWKHRCAGPQR_on_P41594_WT,Low,ExCAPE-DB,44410517,Clc1c(Cl)cc(Sc2nccc(-c3ccccn3)n2)cc1,BFMDWKHRCAGPQR,BFMDWKHRCAGPQR-UHFFFAOYSA-N,InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-15-19-8-6-14(20-15)13-3-1-2-7-18-13/h1-9H,"""AuxInfo=1/0/N:15,16,14,20,21,11,17,10,5,6,2,3,13,12,8,1,4,18,9,19,7/rA:21ClCCClCCSCNCCCCCCCCNNCC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s6;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263826,PubChemAID:263826,2010.0,PubChemAID:263826,2010,0,0,0,0,1,N,,,,,,,,
-BLSHCHROUAOSCS_on_Q14833_WT,Low,ExCAPE-DB,56587879,O=C(c1ccncn1)N1CCOc2ccc(Cl)cc21,BLSHCHROUAOSCS,BLSHCHROUAOSCS-UHFFFAOYSA-N,"InChI=1S/C13H10ClN3O2/c14-9-1-2-12-11(7-9)17(5-6-19-12)13(18)10-3-4-15-8-16-10/h1-4,7-8H,5-6H2","""AuxInfo=1/0/N:15,14,4,5,10,11,18,7,16,3,19,13,2,17,6,8,9,1,12/rA:19OCCCCNCNNCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;d13;s14;d15;s16;s16;s9s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-BMAXKGFHKDPAET_on_Q14833_WT,Low,ExCAPE-DB,57403692,O=C(COc1cnccc1)c1ccc(Cl)nc1,BMAXKGFHKDPAET,BMAXKGFHKDPAET-UHFFFAOYSA-N,"InChI=1S/C12H9ClN2O2/c13-12-4-3-9(6-15-12)11(16)8-17-10-2-1-5-14-7-10/h1-7H,8H2","""AuxInfo=1/0/N:9,10,12,13,8,17,6,3,11,5,2,14,15,7,16,1,4/rA:17OCCOCCNCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-BMKVLLWWNQGHKE_on_Q14833_WT,Low,ExCAPE-DB,57393274,O=C(COc1ccccc1Br)c1ccc(Cl)cc1Cl,BMKVLLWWNQGHKE,BMKVLLWWNQGHKE-UHFFFAOYSA-N,"InChI=1S/C14H9BrCl2O2/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7H,8H2","""AuxInfo=1/0/N:8,7,9,6,14,13,17,3,15,12,10,18,2,5,11,16,19,1,4/rA:19OCCOCCCCCCBrCCCCClCCCl/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s15;s12d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-BUEGOBZNNRGGOC_on_Q14833_WT,Low,ExCAPE-DB,903754,O=C(O)C1CCCCC1C(=O)NN1CCOCC1,BUEGOBZNNRGGOC,BUEGOBZNNRGGOC-UHFFFAOYSA-N,"InChI=1S/C12H20N2O4/c15-11(13-14-5-7-18-8-6-14)9-3-1-2-4-10(9)12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17)","""AuxInfo=1/1/N:7,6,8,5,14,18,15,17,9,4,10,2,12,13,11,1,3,16/E:(5,6)(7,8)(16,17)/rA:18OCOCCCCCCCONNCCOCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-BVEWFTIBKOIQJC_on_Q14832_WT,Low,ExCAPE-DB,49858116,O=C(Nc1ccc(F)cc1)C12CC1C(=NO)c1c(cccc1)O2,BVEWFTIBKOIQJC,BVEWFTIBKOIQJC-UHFFFAOYSA-N,"InChI=1S/C17H13FN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)","""AuxInfo=1/1/N:21,20,22,19,6,9,5,10,12,7,4,17,13,18,14,2,11,8,3,15,1,16,23/E:(5,6)(7,8)/rA:23OCNCCCCFCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s7;s4d9;s2;s11;s11s12;s13;w?14;s15;s14;d17;s18;d19;s20;s17d21;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:549365,PubChemAID:549365,2011.0,PubChemAID:549365,2011,0,0,0,0,1,N,,,,,,,,
-CESIZSSBDUHHQR_on_P41594_WT,Low,ExCAPE-DB,16736022,Cc1nc(C#Cc2ccc(F)cc2F)nnc1,CESIZSSBDUHHQR,CESIZSSBDUHHQR-UHFFFAOYSA-N,"InChI=1S/C12H7F2N3/c1-8-7-15-17-12(16-8)5-3-9-2-4-10(13)6-11(9)14/h2,4,6-7H,1H3","""AuxInfo=1/0/N:1,8,6,9,5,12,17,2,7,10,13,4,11,14,16,3,15/rA:17CCNCCCCCCCFCCFNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s10;s7d12;s13;d4;s15;s2d16;/rC:;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-CGKZDZJJVQNPHJ_on_Q14833_WT,Low,ExCAPE-DB,45484615,CN(C)C(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,CGKZDZJJVQNPHJ,CGKZDZJJVQNPHJ-UHFFFAOYSA-N,"InChI=1S/C16H20Cl2N2O2/c1-20(2)16(22)14-6-4-3-5-13(14)15(21)19-12-8-10(17)7-11(18)9-12/h7-9,13-14H,3-6H2,1-2H3,(H,19,21)","""AuxInfo=1/1/N:1,3,9,8,10,7,19,16,22,17,20,15,11,6,12,4,18,21,14,2,13,5/E:(1,2)(8,9)(10,11)(17,18)/rA:22CNCCOCCCCCCCONCCCClCCClC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s11;d12;s12;s14;d15;s16;s17;d17;s19;s20;s15d20;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-CNUDURWGBZYDDN_on_Q14833_WT,Low,ExCAPE-DB,57394961,O=C(COc1ccccc1Br)c1cnc(NCCn2ccnc2)cc1,CNUDURWGBZYDDN,CNUDURWGBZYDDN-UHFFFAOYSA-N,"InChI=1S/C18H17BrN4O2/c19-15-3-1-2-4-17(15)25-12-16(24)14-5-6-18(22-11-14)21-8-10-23-9-7-20-13-23/h1-7,9,11,13H,8,10,12H2,(H,21,22)","""AuxInfo=1/1/N:8,7,9,6,25,24,21,17,20,18,13,3,23,12,10,2,5,15,11,22,16,14,19,1,4/rA:25OCCOCCCCCCBrCCNCNCCNCCNCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s19;d20;s21;s19d22;s15;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-CRVNXBKXSDJEQW_on_Q14833_WT,Low,ExCAPE-DB,34364067,Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1C,CRVNXBKXSDJEQW,CRVNXBKXSDJEQW-UHFFFAOYSA-N,"InChI=1S/C16H21NO3/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(19)20/h7-9,13-14H,3-6H2,1-2H3,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:1,20,11,12,10,13,3,4,18,2,19,5,9,14,7,15,6,8,16,17/E:(19,20)/rA:20CCCCCNCOCCCCCCCOOCCC/rB:s1;d2;s3;d4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s15;s5;s2d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
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-DIYDPHCIBOZKIZ_on_P41594_WT,Low,ExCAPE-DB,60210914,O=S(=O)(c1ccc(C#Cc2cccc(F)c2)cc1)N1CCOCC1,DIYDPHCIBOZKIZ,DIYDPHCIBOZKIZ-UHFFFAOYSA-N,"InChI=1S/C18H16FNO3S/c19-17-3-1-2-16(14-17)5-4-15-6-8-18(9-7-15)24(21,22)20-10-12-23-13-11-20/h1-3,6-9,14H,10-13H2","""AuxInfo=1/0/N:12,11,13,8,9,6,17,5,18,20,24,21,23,16,7,10,14,4,15,19,1,3,22,2/E:(6,7)(8,9)(10,11)(12,13)(21,22)/CRV:24.6/rA:24OSOCCCCCCCCCCCFCCCNCCOCC/rB:d1;d2;s2;d4;s5;d6;s7;t8;s9;d10;s11;d12;s13;s14;s10d14;s7;s4d17;s2;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:719497,PubChemAID:719497,2013.0,PubChemAID:719497,2013,0,0,0,0,1,N,,,,,,,,
-DPIIDSDHXSZGPU_on_Q14833_WT,Low,ExCAPE-DB,73058518,COc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,DPIIDSDHXSZGPU,DPIIDSDHXSZGPU-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO3S/c1-15-12-21(22(27)14-30-13-17-4-8-19(28-3)9-5-17)16(2)26(15)18-6-10-20(11-7-18)29-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:27,14,1,5,29,17,25,4,30,18,24,28,7,9,26,13,6,16,3,19,12,10,21,22,23,15,11,2,20,8/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:30COCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;s9;d10;s10;d12;s13;s13;s15;d16;s17;d18;s19;s20;s21;s21;s19;s16d24;s15;s26;s12d26;s6;s3d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,N,,,,,,,,
-DTMGHROWRASJHK_on_Q14833_WT,Low,ExCAPE-DB,56587828,c1cnc2c(Nc3ccc4OCOc4c3)ncnc2c1,DTMGHROWRASJHK,DTMGHROWRASJHK-UHFFFAOYSA-N,"InChI=1S/C14H10N4O2/c1-2-10-13(15-5-1)14(17-7-16-10)18-9-3-4-11-12(6-9)20-8-19-11/h1-7H,8H2,(H,16,17,18)","""AuxInfo=1/1/N:1,20,8,9,2,15,17,12,7,19,10,14,4,5,3,18,16,6,11,13/rA:20CCNCCNCCCCOCOCCNCNCC/rB:d1;s2;d3;s4;s5;s6;d7;s8;d9;s10;s11;s12;s10s13;s7d14;d5;s16;d17;s4s18;s1d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-DUNDWWFIWRXMMH_on_Q14833_WT,Low,ExCAPE-DB,57391483,O=C(COc1ccccc1-c1ccncc1)c1ccc(Cl)nc1,DUNDWWFIWRXMMH,DUNDWWFIWRXMMH-UHFFFAOYSA-N,"InChI=1S/C18H13ClN2O2/c19-18-6-5-14(11-21-18)16(22)12-23-17-4-2-1-3-15(17)13-7-9-20-10-8-13/h1-11H,12H2","""AuxInfo=1/0/N:8,7,9,6,18,19,12,16,13,15,23,3,11,17,10,2,5,20,21,14,22,1,4/E:(7,8)(9,10)/rA:23OCCOCCCCCCCCCNCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-DWTCCZBYQMYLJZ_on_Q14833_WT,Low,ExCAPE-DB,56587868,O=C(NCCc1cc(Cl)ccc1)c1ccccn1,DWTCCZBYQMYLJZ,DWTCCZBYQMYLJZ-UHFFFAOYSA-N,"InChI=1S/C14H13ClN2O/c15-12-5-3-4-11(10-12)7-9-17-14(18)13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H,17,18)","""AuxInfo=1/1/N:15,16,11,12,10,14,5,17,4,7,6,8,13,2,9,18,3,1/rA:18OCNCCCCCClCCCCCCCCN/rB:d1;s2;s3;s4;s5;d6;s7;s8;d8;s10;s6d11;s2;d13;s14;d15;s16;s13d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-DYZRTKQODOVTLX_on_Q14833_WT,Low,ExCAPE-DB,45484533,O=C(O)C1CCC1C(=O)Nc1cc(Cl)cc(Cl)c1,DYZRTKQODOVTLX,DYZRTKQODOVTLX-UHFFFAOYSA-N,"InChI=1S/C12H11Cl2NO3/c13-6-3-7(14)5-8(4-6)15-11(16)9-1-2-10(9)12(17)18/h3-5,9-10H,1-2H2,(H,15,16)(H,17,18)","""AuxInfo=1/1/N:6,5,15,12,18,13,16,11,7,4,8,2,14,17,10,9,1,3/E:(4,5)(6,7)(13,14)(17,18)/rA:18OCOCCCCCONCCCClCCClC/rB:d1;s2;s2;s4;s5;s4s6;s7;d8;s8;s10;d11;s12;s13;d13;s15;s16;s11d16;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-DZVPEKNGGIMADJ_on_P41594_WT,Low,ExCAPE-DB,16735662,Cc1nc(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1,DZVPEKNGGIMADJ,DZVPEKNGGIMADJ-UHFFFAOYSA-N,"InChI=1S/C14H7F6N3/c1-8-7-21-23-12(22-8)3-2-9-4-10(13(15,16)17)6-11(5-9)14(18,19)20/h4-7H,1H3","""AuxInfo=1/0/N:1,6,5,8,20,14,23,2,7,9,15,4,10,16,11,12,13,17,18,19,22,3,21/E:(4,5)(10,11)(13,14)(15,16,17,18,19,20)/rA:23CCNCCCCCCCFFFCCCFFFCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;s9;s10;s10;s10;d9;s14;s15;s16;s16;s16;s7d15;d4;s21;s2d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-FDVISVKAUVUSLM_on_Q14833_WT,Low,ExCAPE-DB,57403690,CCCNc1ncc(C(=O)COc2ccccc2Br)cc1,FDVISVKAUVUSLM,FDVISVKAUVUSLM-UHFFFAOYSA-N,"InChI=1S/C16H17BrN2O2/c1-2-9-18-16-8-7-12(10-19-16)14(20)11-21-15-6-4-3-5-13(15)17/h3-8,10H,2,9,11H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,2,16,15,17,14,20,21,3,7,11,8,18,9,13,5,19,4,6,10,12/rA:21CCCNCNCCCOCOCCCCCCBrCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s9;s11;s12;d13;s14;d15;s16;s13d17;s18;s8;s5d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-FEAFTXXWFDBRTF_on_Q14833_WT,Low,ExCAPE-DB,57395003,O=C(COc1ccccc1Br)c1ccncc1,FEAFTXXWFDBRTF,FEAFTXXWFDBRTF-UHFFFAOYSA-N,"InChI=1S/C13H10BrNO2/c14-11-3-1-2-4-13(11)17-9-12(16)10-5-7-15-8-6-10/h1-8H,9H2","""AuxInfo=1/0/N:8,7,9,6,13,17,14,16,3,12,10,2,5,11,15,1,4/E:(5,6)(7,8)/rA:17OCCOCCCCCCBrCCCNCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-FEOPTUASXHQZTG_on_Q14833_WT,Low,ExCAPE-DB,56649124,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cncs1,FEOPTUASXHQZTG,FEOPTUASXHQZTG-UHFFFAOYSA-N,"InChI=1S/C16H11N3O5S3/c20-16(13-9-17-10-25-13)18-11-5-7-12(8-6-11)19-26(21,22)14-3-1-2-4-15(14)27(19,23)24/h1-10H,(H,18,20)","""AuxInfo=1/1/N:15,16,14,17,5,22,6,21,24,26,4,7,23,13,12,2,25,3,8,1,19,20,10,11,27,18,9/E:(1,2)(3,4)(5,6)(7,8)(14,15)(21,22,23,24)(26,27)/CRV:26.6,27.6/rA:27OCNCCCCNSOOCCCCCCSOOCCCCNCS/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408,PubChemAID:631408,2012.0,PubChemAID:631408,2012,0,0,0,0,1,N,,,,,,,,
-FGIMGULGLNPSCU_on_Q14833_WT,Low,ExCAPE-DB,56587846,Clc1cccc(Nc2nccc3ccccc23)c1,FGIMGULGLNPSCU,FGIMGULGLNPSCU-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2/c16-12-5-3-6-13(10-12)18-15-14-7-2-1-4-11(14)8-9-17-15/h1-10H,(H,17,18)","""AuxInfo=1/1/N:14,15,4,13,3,5,16,11,10,18,12,2,6,17,8,1,9,7/rA:18ClCCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-FMJDQUBVHUQRHP_on_Q14833_WT,Low,ExCAPE-DB,56587854,Cc1nc(NC(=O)c2ccccn2)nn1C,FMJDQUBVHUQRHP,FMJDQUBVHUQRHP-UHFFFAOYSA-N,"InChI=1S/C10H11N5O/c1-7-12-10(14-15(7)2)13-9(16)8-5-3-4-6-11-8/h3-6H,1-2H3,(H,13,14,16)","""AuxInfo=1/1/N:1,16,10,11,9,12,2,8,6,4,13,3,5,14,15,7/rA:16CCNCNCOCCCCCNNNC/rB:s1;d2;s3;s4;s5;d6;s6;d8;s9;d10;s11;s8d12;d4;s2s14;s15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-FMYRVNZFACJNSS_on_Q14833_WT,Low,ExCAPE-DB,45484582;25769678,O=C(O)C1C2C=CC(C2)C1C(=O)Nc1cc(Cl)cc(Cl)c1,FMYRVNZFACJNSS,FMYRVNZFACJNSS-UHFFFAOYSA-N,"InChI=1S/C15H13Cl2NO3/c16-9-4-10(17)6-11(5-9)18-14(19)12-7-1-2-8(3-7)13(12)15(20)21/h1-2,4-8,12-13H,3H2,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:7,6,9,18,15,21,8,5,16,19,14,10,4,11,2,17,20,13,12,1,3/E:(5,6)(9,10)(16,17)(20,21)/rA:21OCOCCCCCCCCONCCCClCCClC/rB:d1;s2;s2;s4;s5;w?6;s7;s5s8;s4s8;s10;d11;s11;s13;d14;s15;s16;d16;s18;s19;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-FPJAMRDJGVYHRW_on_Q14833_WT,Low,ExCAPE-DB,45484546,O=C(O)C1CCCCC1C(=O)NC1CCC1,FPJAMRDJGVYHRW,FPJAMRDJGVYHRW-UHFFFAOYSA-N,"InChI=1S/C12H19NO3/c14-11(13-8-4-3-5-8)9-6-1-2-7-10(9)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)","""AuxInfo=1/1/N:7,6,15,14,16,8,5,13,9,4,10,2,12,11,1,3/E:(4,5)(15,16)/rA:16OCOCCCCCCCONCCCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;s13;s14;s13s15;/rC:;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-FPXPIEZPAXSELW_on_Q14416_WT,Low,ExCAPE-DB,5866327,O=C(Nc1ccccc1)C12CC1C(=NO)c1c(cccc1)O2,FPXPIEZPAXSELW,FPXPIEZPAXSELW-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,9,21,18,11,4,16,12,17,13,2,10,3,14,1,15,22/E:(2,3)(6,7)/rA:22OCNCCCCCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14416_WT,Q14416,WT,PubChemAID:549362,PubChemAID:549362,2011.0,PubChemAID:549362,2011,0,0,0,0,1,N,,,,,,,,
-FPXPIEZPAXSELW_on_Q14832_WT,Low,ExCAPE-DB,5866327,O=C(Nc1ccccc1)C12CC1C(=NO)c1c(cccc1)O2,FPXPIEZPAXSELW,FPXPIEZPAXSELW-UHFFFAOYSA-N,"InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)","""AuxInfo=1/1/N:7,6,8,20,19,5,9,21,18,11,4,16,12,17,13,2,10,3,14,1,15,22/E:(2,3)(6,7)/rA:22OCNCCCCCCCCCCNOCCCCCCO/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;s10;s10s11;s12;w?13;s14;s13;d16;s17;d18;s19;s16d20;s10s17;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14832_WT,Q14832,WT,PubChemAID:549365,PubChemAID:549365,2011.0,PubChemAID:549365,2011,0,0,0,0,1,N,,,,,,,,
-FQPIEHXRKMCSSJ_on_Q14833_WT,Low,ExCAPE-DB,44189737,O=C(Nc1nc(C(F)(F)F)ccc1)c1ccccn1,FQPIEHXRKMCSSJ,FQPIEHXRKMCSSJ-UHFFFAOYSA-N,"InChI=1S/C12H8F3N3O/c13-12(14,15)9-5-3-6-10(17-9)18-11(19)8-4-1-2-7-16-8/h1-7H,(H,17,18,19)","""AuxInfo=1/1/N:16,17,12,15,11,13,18,14,6,4,2,7,8,9,10,19,5,3,1/E:(13,14,15)/rA:19OCNCNCCFFFCCCCCCCCN/rB:d1;s2;s3;d4;s5;s6;s7;s7;s7;d6;s11;s4d12;s2;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:2197,PMID:19469556,2009.0,PubChemAID:2197,2009,0,0,0,0,1,N,,,,,,,,
-FZTXNLFUEFOVRO_on_Q14833_WT,Low,ExCAPE-DB,56587919,FC(F)(F)c1cccc(-c2nc(-c3ccccn3)no2)c1,FZTXNLFUEFOVRO,FZTXNLFUEFOVRO-UHFFFAOYSA-N,"InChI=1S/C14H8F3N3O/c15-14(16,17)10-5-3-4-9(8-10)13-19-12(20-21-13)11-6-1-2-7-18-11/h1-8H","""AuxInfo=1/0/N:15,16,7,8,6,14,17,21,9,5,13,12,10,2,1,3,4,18,11,19,20/E:(15,16,17)/rA:21FCFFCCCCCCNCCCCCCNNOC/rB:s1;s2;s2;s2;d5;s6;d7;s8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;d12;s10s19;s5d9;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-GHHFVYZGLMVYAP_on_Q14833_WT,Low,ExCAPE-DB,56587839,Cc1cc(Nc2ncnc3cccnc23)ccc1Cl,GHHFVYZGLMVYAP,GHHFVYZGLMVYAP-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4/c1-9-7-10(4-5-11(9)15)19-14-13-12(17-8-18-14)3-2-6-16-13/h2-8H,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,12,11,16,17,13,3,8,2,4,18,10,15,6,19,14,9,7,5/rA:19CCCCNCNCNCCCCNCCCCCl/rB:s1;d2;s3;s4;s5;d6;s7;d8;s9;d10;s11;d12;s13;s6s10d14;d4;s16;s2d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-GHRNKNCHZKQIQE_on_Q14833_WT,Low,ExCAPE-DB,56587901,COc1cc(Nc2c3ccccn3cn2)ccc1Cl,GHRNKNCHZKQIQE,GHRNKNCHZKQIQE-UHFFFAOYSA-N,"InChI=1S/C14H12ClN3O/c1-19-13-8-10(5-6-11(13)15)17-14-12-4-2-3-7-18(12)9-16-14/h2-9,17H,1H3","""AuxInfo=1/0/N:1,10,11,9,16,17,12,4,14,5,18,8,3,7,19,15,6,13,2/rA:19COCCCNCCCCCCNCNCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s8s12;s13;s7d14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-GRLUFJCSMJRQOX_on_P41594_WT,Low,ExCAPE-DB,16736019,Cc1nc(C#Cc2ccc(C(F)(F)F)cc2)nnc1,GRLUFJCSMJRQOX,GRLUFJCSMJRQOX-UHFFFAOYSA-N,"InChI=1S/C13H8F3N3/c1-9-8-17-19-12(18-9)7-4-10-2-5-11(6-3-10)13(14,15)16/h2-3,5-6,8H,1H3","""AuxInfo=1/0/N:1,8,16,6,9,15,5,19,2,7,10,4,11,12,13,14,18,3,17/E:(2,3)(5,6)(14,15,16)/rA:19CCNCCCCCCCCFFFCCNNC/rB:s1;d2;s3;s4;t5;s6;d7;s8;d9;s10;s11;s11;s11;s10;s7d15;d4;s17;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-GSMXCCISIFMQNK_on_Q14833_WT,Low,ExCAPE-DB,56587889,O=C(c1ccccn1)N(Cc1ccccn1)c1cc(Cl)ccc1,GSMXCCISIFMQNK,GSMXCCISIFMQNK-UHFFFAOYSA-N,"InChI=1S/C18H14ClN3O/c19-14-6-5-8-16(12-14)22(13-15-7-1-3-10-20-15)18(23)17-9-2-4-11-21-17/h1-12H,13H2","""AuxInfo=1/0/N:13,5,14,6,22,21,12,23,4,15,7,18,10,19,11,17,3,2,20,16,8,9,1/rA:23OCCCCCCNNCCCCCCNCCCClCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;d11;s12;d13;s14;s11d15;s9;d17;s18;s19;d19;s21;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-HKOVQDDLYRKCQF_on_Q14833_WT,Low,ExCAPE-DB,12231703,Cc1ccc(C(=O)COc2ccccc2Br)cc1,HKOVQDDLYRKCQF,HKOVQDDLYRKCQF-UHFFFAOYSA-N,"InChI=1S/C15H13BrO2/c1-11-6-8-12(9-7-11)14(17)10-18-15-5-3-2-4-13(15)16/h2-9H,10H2,1H3","""AuxInfo=1/0/N:1,13,12,14,11,3,18,4,17,8,2,5,15,6,10,16,7,9/E:(6,7)(8,9)/rA:18CCCCCCOCOCCCCCCBrCC/rB:s1;d2;s3;d4;s5;d6;s6;s8;s9;d10;s11;d12;s13;s10d14;s15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-HNKQAPWXXYDPNF_on_P41594_WT,Low,ExCAPE-DB,44408207,Cn1cc(O)nc1NC(=O)Cc1cc(Cl)ccc1,HNKQAPWXXYDPNF,HNKQAPWXXYDPNF-UHFFFAOYSA-N,"InChI=1S/C12H12ClN3O2/c1-16-7-11(18)15-12(16)14-10(17)6-8-3-2-4-9(13)5-8/h2-5,7,18H,6H2,1H3,(H,14,15,17)","""AuxInfo=1/1/N:1,17,18,16,13,11,3,12,14,9,4,7,15,8,6,2,10,5/rA:18CNCCONCNCOCCCCClCCC/rB:s1;s2;d3;s4;s4;s2d6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:261160,PubChemAID:261160,2010.0,PubChemAID:261160,2010,0,0,0,0,1,N,,,,,,,,
-HXFYJZQUYWLSPD_on_Q14833_WT,Low,ExCAPE-DB,56587887,CCN(C(=O)c1ccccn1)c1cc(Cl)ccc1,HXFYJZQUYWLSPD,HXFYJZQUYWLSPD-UHFFFAOYSA-N,"InChI=1S/C14H13ClN2O/c1-2-17(12-7-5-6-11(15)10-12)14(18)13-8-3-4-9-16-13/h3-10H,2H2,1H3","""AuxInfo=1/0/N:1,2,8,9,17,16,18,7,10,13,14,12,6,4,15,11,3,5/rA:18CCNCOCCCCCNCCCClCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6d10;s3;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-HXROIBHSXNFHIS_on_Q14833_WT,Low,ExCAPE-DB,56587859,Cn1cnc(NC(=O)c2ccccn2)n1,HXROIBHSXNFHIS,HXROIBHSXNFHIS-UHFFFAOYSA-N,"InChI=1S/C9H9N5O/c1-14-6-11-9(13-14)12-8(15)7-4-2-3-5-10-7/h2-6H,1H3,(H,12,13,15)","""AuxInfo=1/1/N:1,11,12,10,13,3,9,7,5,14,4,6,15,2,8/rA:15CNCNCNCOCCCCCNN/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s2d5;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-HYKRJUYVPVQOEU_on_Q14833_WT,Low,ExCAPE-DB,45484636,O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1C(=O)NC1CCCC1,HYKRJUYVPVQOEU,HYKRJUYVPVQOEU-UHFFFAOYSA-N,"InChI=1S/C19H24Cl2N2O2/c20-12-9-13(21)11-15(10-12)23-19(25)17-8-4-3-7-16(17)18(24)22-14-5-1-2-6-14/h9-11,14,16-17H,1-8H2,(H,22,24)(H,23,25)","""AuxInfo=1/1/N:23,24,15,14,22,25,16,13,8,5,11,6,9,21,4,17,12,18,2,7,10,20,3,19,1/E:(1,2)(5,6)(10,11)(12,13)(20,21)/rA:25OCNCCCClCCClCCCCCCCCONCCCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-IMLLSKDXLVDFRH_on_Q14833_WT,Low,ExCAPE-DB,56587918,Clc1cccc(-c2nc(-c3ccccn3)no2)c1,IMLLSKDXLVDFRH,IMLLSKDXLVDFRH-UHFFFAOYSA-N,InChI=1S/C13H8ClN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H,"""AuxInfo=1/0/N:12,13,4,5,3,11,14,18,6,2,10,9,7,1,15,8,16,17/rA:18ClCCCCCCNCCCCCCNNOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s7s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-IMVLLDUKTUXHTD_on_Q14833_WT,Low,ExCAPE-DB,51003187,COc1cc(NC(=O)C2CCCO2)ccc1NC(=O)c1ccccc1Cl,IMVLLDUKTUXHTD,IMVLLDUKTUXHTD-UHFFFAOYSA-N,"InChI=1S/C19H19ClN2O4/c1-25-17-11-12(21-19(24)16-7-4-10-26-16)8-9-15(17)22-18(23)13-5-2-3-6-14(13)20/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,21,24)(H,22,23)","""AuxInfo=1/1/N:1,22,23,11,21,24,10,14,15,12,4,5,20,25,16,9,3,18,7,26,6,17,19,8,2,13/rA:26COCCCNCOCCCCOCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;d5;s14;s3d15;s16;s17;d18;s18;d20;s21;d22;s23;s20d24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
-IPMODBHYQSZCHU_on_Q14833_WT,Low,ExCAPE-DB,57403691,COc1cc(OCC(=O)c2ccc(Cl)nc2)ccc1,IPMODBHYQSZCHU,IPMODBHYQSZCHU-UHFFFAOYSA-N,"InChI=1S/C14H12ClNO3/c1-18-11-3-2-4-12(7-11)19-9-13(17)10-5-6-14(15)16-8-10/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,18,19,17,11,12,4,16,7,10,3,5,8,13,14,15,9,2,6/rA:19COCCCOCCOCCCCClNCCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s13;s10d15;d5;s17;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-IVGTZIPKVLNAIN_on_Q14833_WT,Low,ExCAPE-DB,56649041,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cnccc1,IVGTZIPKVLNAIN,IVGTZIPKVLNAIN-UHFFFAOYSA-N,"InChI=1S/C18H13N3O5S2/c22-18(13-4-3-11-19-12-13)20-14-7-9-15(10-8-14)21-27(23,24)16-5-1-2-6-17(16)28(21,25)26/h1-12H,(H,20,22)","""AuxInfo=1/1/N:15,16,27,28,14,17,5,22,6,21,26,24,23,4,7,13,12,2,25,3,8,1,19,20,10,11,18,9/E:(1,2)(5,6)(7,8)(9,10)(16,17)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCCNCCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408,PubChemAID:631408,2012.0,PubChemAID:631408,2012,0,0,0,0,1,N,,,,,,,,
-IZUANYIRMYTGKQ_on_Q14833_WT,Low,ExCAPE-DB,57403742,O=C(COc1ccccc1Br)c1cnc(NC2Cc3c(cccc3)C2)cc1,IZUANYIRMYTGKQ,IZUANYIRMYTGKQ-UHFFFAOYSA-N,"InChI=1S/C22H19BrN2O2/c23-19-7-3-4-8-21(19)27-14-20(26)17-9-10-22(24-13-17)25-18-11-15-5-1-2-6-16(15)12-18/h1-10,13,18H,11-12,14H2,(H,24,25)","""AuxInfo=1/1/N:22,23,8,7,21,24,9,6,27,26,25,18,13,3,20,19,12,17,10,2,5,15,11,14,16,1,4/E:(1,2)(5,6)(11,12)(15,16)/rA:27OCCOCCCCCCBrCCNCNCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;d19;s20;d21;s22;s19d23;s17s20;s15;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-JEMQGDZPDDRSIQ_on_Q14833_WT,Low,ExCAPE-DB,57398521,O=C(COc1ccccc1Br)c1cnc(N2CCC3CCCCC3C2)cc1,JEMQGDZPDDRSIQ,JEMQGDZPDDRSIQ-UHFFFAOYSA-N,"InChI=1S/C22H25BrN2O2/c23-19-7-3-4-8-21(19)27-15-20(26)17-9-10-22(24-13-17)25-12-11-16-5-1-2-6-18(16)14-25/h3-4,7-10,13,16,18H,1-2,5-6,11-12,14-15H2","""AuxInfo=1/0/N:21,22,8,7,20,23,9,6,27,26,18,17,13,25,3,19,12,24,10,2,5,15,11,14,16,1,4/rA:27OCCOCCCCCCBrCCNCNCCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s16s24;s15;s12d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-JGLNVYTUMYRZMM_on_Q14833_WT,Low,ExCAPE-DB,57393244,Cc1ccc(OCC(=O)c2ccc(Cl)nc2)cc1,JGLNVYTUMYRZMM,JGLNVYTUMYRZMM-UHFFFAOYSA-N,"InChI=1S/C14H12ClNO2/c1-10-2-5-12(6-3-10)18-9-13(17)11-4-7-14(15)16-8-11/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,3,18,11,4,17,12,16,7,2,10,5,8,13,14,15,9,6/E:(2,3)(5,6)/rA:18CCCCCOCCOCCCCClNCCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s8;d10;s11;d12;s13;s13;s10d15;s5;s2d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-JJQCXBONKORTFR_on_Q14833_WT,Low,ExCAPE-DB,56587856,Cn1ccnc1NC(=O)c1ccccn1,JJQCXBONKORTFR,JJQCXBONKORTFR-UHFFFAOYSA-N,"InChI=1S/C10H10N4O/c1-14-7-6-12-10(14)13-9(15)8-4-2-3-5-11-8/h2-7H,1H3,(H,12,13,15)","""AuxInfo=1/1/N:1,12,13,11,14,4,3,10,8,6,15,5,7,2,9/rA:15CNCCNCNCOCCCCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;d8;s8;d10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-JNJVCRPXDNJVBK_on_P41594_WT,Low,ExCAPE-DB,44410512,Clc1c(Cl)cc(Sc2cccc(-c3ccccn3)n2)cc1,JNJVCRPXDNJVBK,JNJVCRPXDNJVBK-UHFFFAOYSA-N,InChI=1S/C16H10Cl2N2S/c17-12-8-7-11(10-13(12)18)21-16-6-3-5-15(20-16)14-4-1-2-9-19-14/h1-10H,"""AuxInfo=1/0/N:15,16,10,14,11,9,20,21,17,5,6,2,3,13,12,8,1,4,18,19,7/rA:21ClCCClCCSCCCCCCCCCCNNCC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;d10;s11;s12;d13;s14;d15;s16;s13d17;s8d12;s6;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263826,PubChemAID:263826,2010.0,PubChemAID:263826,2010,0,0,0,0,1,N,,,,,,,,
-JNSQJXMOEDUASA_on_Q14833_WT,Low,ExCAPE-DB,46853730,O=C(Nc1ccccn1)c1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1,JNSQJXMOEDUASA,JNSQJXMOEDUASA-UHFFFAOYSA-N,"InChI=1S/C18H13N3O5S2/c22-18(20-17-7-3-4-12-19-17)13-8-10-14(11-9-13)21-27(23,24)15-5-1-2-6-16(15)28(21,25)26/h1-12H,(H,19,20,22)","""AuxInfo=1/1/N:21,22,6,7,20,23,5,11,28,12,27,8,10,13,19,18,4,2,9,3,14,1,25,26,16,17,24,15/E:(1,2)(5,6)(8,9)(10,11)(15,16)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCCNCCCCNSOOCCCCCCSOOCC/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s2;d10;s11;d12;s13;s14;d15;d15;s15;d18;s19;d20;s21;s18d22;s14s19;d24;d24;s13;s10d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408,PubChemAID:631408,2012.0,PubChemAID:631408,2012,0,0,0,0,1,N,,,,,,,,
-JPIFEARTMAHGNC_on_Q14833_WT,Low,ExCAPE-DB,45484532,O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1c1nsc(O)n1,JPIFEARTMAHGNC,JPIFEARTMAHGNC-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2N3O2S/c16-8-5-9(17)7-10(6-8)18-14(21)12-4-2-1-3-11(12)13-19-15(22)23-20-13/h5-7,11-12H,1-4H2,(H,18,21)(H,19,20,22)","""AuxInfo=1/1/N:15,14,16,13,8,5,11,6,9,4,17,12,18,2,21,7,10,3,23,19,1,22,20/E:(6,7)(8,9)(16,17)/rA:23OCNCCCClCCClCCCCCCCCNSCON/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;s12;s13;s14;s15;s12s16;s17;d18;s19;s20;s21;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-JTQUAIGROAJSPV_on_Q14833_WT,Low,ExCAPE-DB,56587861,Cn1ccc(NC(=O)c2ccccn2)n1,JTQUAIGROAJSPV,JTQUAIGROAJSPV-UHFFFAOYSA-N,"InChI=1S/C10H10N4O/c1-14-7-5-9(13-14)12-10(15)8-4-2-3-6-11-8/h2-7H,1H3,(H,12,13,15)","""AuxInfo=1/1/N:1,11,12,10,4,13,3,9,5,7,14,6,15,2,8/rA:15CNCCCNCOCCCCCNN/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s2d5;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-JTXMZKFFDFDQKF_on_Q14833_WT,Low,ExCAPE-DB,45484531,O=C(O)C1CCCCC1C(=O)Nc1cc(F)cc(F)c1,JTXMZKFFDFDQKF,JTXMZKFFDFDQKF-UHFFFAOYSA-N,"InChI=1S/C14H15F2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:7,6,8,5,17,14,20,15,18,13,9,4,10,2,16,19,12,11,1,3/E:(6,7)(8,9)(15,16)(19,20)/rA:20OCOCCCCCCCONCCCFCCFC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s18;s13d18;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-JUTHPRSLRPLRDH_on_Q14833_WT,Low,ExCAPE-DB,57391481,COc1ccc(OCC(=O)c2ccc(Cl)nc2)cc1,JUTHPRSLRPLRDH,JUTHPRSLRPLRDH-UHFFFAOYSA-N,"InChI=1S/C14H12ClNO3/c1-18-11-3-5-12(6-4-11)19-9-13(17)10-2-7-14(15)16-8-10/h2-8H,9H2,1H3","""AuxInfo=1/0/N:1,12,4,19,5,18,13,17,8,11,3,6,9,14,15,16,10,2,7/E:(3,4)(5,6)/rA:19COCCCCOCCOCCCCClNCCC/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s6;s3d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-JYPYVYOWPYJHJE_on_Q13255_WT,Low,ExCAPE-DB,71813137,Cc1ccc(Nc2nc3c(cn2)C(=O)C(C)(C)CC3)cc1,JYPYVYOWPYJHJE,JYPYVYOWPYJHJE-UHFFFAOYSA-N,"InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-9-17(2,3)15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)","""AuxInfo=1/1/N:1,16,17,3,21,4,20,19,18,11,2,5,10,9,13,7,15,12,6,8,14/E:(2,3)(4,5)(6,7)/rA:21CCCCCNCNCCCNCOCCCCCCC/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;s10;s7d11;s10;d13;s13;s15;s15;s15;s9s18;s5;s2d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q13255_WT,Q13255,WT,PubChemAID:762825,PubChemAID:762825,2014.0,PubChemAID:762825,2014,0,0,0,0,1,N,,,,,,,,
-KCXQETJAPUXDMZ_on_P41594_WT,Low,ExCAPE-DB,16736026,Cc1nncc(C#Cc2ccccc2)n1,KCXQETJAPUXDMZ,KCXQETJAPUXDMZ-UHFFFAOYSA-N,"InChI=1S/C12H9N3/c1-10-14-12(9-13-15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3","""AuxInfo=1/0/N:1,12,11,13,10,14,8,7,5,2,9,6,4,15,3/E:(3,4)(5,6)/rA:15CCNNCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;s9d13;s2d6;/rC:;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-KEWYSNOANSWYSR_on_Q14833_WT,Low,ExCAPE-DB,51003376,O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)c(Cl)c1)c1ccccn1,KEWYSNOANSWYSR,KEWYSNOANSWYSR-UHFFFAOYSA-N,"InChI=1S/C23H16ClN3O3/c24-17-14-16(26-22(28)19-8-4-5-13-25-19)9-10-18(17)27-23(29)21-12-11-20(30-21)15-6-2-1-3-7-15/h1-14H,(H,26,28)(H,27,29)","""AuxInfo=1/1/N:18,17,19,27,28,16,20,26,5,6,13,12,29,24,15,4,22,7,25,14,11,2,9,23,30,3,8,1,10,21/E:(2,3)(6,7)/rA:30OCNCCCCNCOCCCCCCCCCCOCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;d15;s16;d17;s18;s15d19;s11s14;s7;s22;s4d22;s2;d25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
-KORQNMOSCPLMDB_on_Q14833_WT,Low,ExCAPE-DB,57396751,O=C(COc1ccccc1Br)c1ccc(F)cc1F,KORQNMOSCPLMDB,KORQNMOSCPLMDB-UHFFFAOYSA-N,"InChI=1S/C14H9BrF2O2/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7H,8H2","""AuxInfo=1/0/N:8,7,9,6,14,13,17,3,15,12,10,18,2,5,11,16,19,1,4/rA:19OCCOCCCCCCBrCCCCFCCF/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s15;s12d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632729,PubChemAID:632729,2012.0,PubChemAID:632729,2012,0,0,0,0,1,N,,,,,,,,
-KSZJNXOQGZMMEV_on_Q14833_WT,Low,ExCAPE-DB,57403693,O=C(COc1ccccc1-c1cnccc1)c1ccc(Cl)nc1,KSZJNXOQGZMMEV,KSZJNXOQGZMMEV-UHFFFAOYSA-N,"InChI=1S/C18H13ClN2O2/c19-18-8-7-14(11-21-18)16(22)12-23-17-6-2-1-5-15(17)13-4-3-9-20-10-13/h1-11H,12H2","""AuxInfo=1/0/N:8,7,15,16,9,6,18,19,14,12,23,3,11,17,10,2,5,20,21,13,22,1,4/rA:23OCCOCCCCCCCCNCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;s11d15;s2;d17;s18;d19;s20;s20;s17d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-KVNQQUAHSJMVAV_on_Q14833_WT,Low,ExCAPE-DB,57401951,COCCNc1ncc(C(=O)COc2ccccc2Br)cc1,KVNQQUAHSJMVAV,KVNQQUAHSJMVAV-UHFFFAOYSA-N,"InChI=1S/C16H17BrN2O3/c1-21-9-8-18-16-7-6-12(10-19-16)14(20)11-22-15-5-3-2-4-13(15)17/h2-7,10H,8-9,11H2,1H3,(H,18,19)","""AuxInfo=1/1/N:1,17,16,18,15,21,22,4,3,8,12,9,19,10,14,6,20,5,7,11,2,13/rA:22COCCNCNCCCOCOCCCCCCBrCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s9;s6d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-KVVYMYVPSIMZDM_on_Q14833_WT,Low,ExCAPE-DB,56587847,COc1cc(Nc2cccc3cccnc23)ccc1Cl,KVVYMYVPSIMZDM,KVVYMYVPSIMZDM-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-20-15-10-12(7-8-13(15)17)19-14-6-2-4-11-5-3-9-18-16(11)14/h2-10,19H,1H3","""AuxInfo=1/0/N:1,9,13,10,12,8,17,18,14,4,11,5,19,7,3,16,20,15,6,2/rA:20COCCCNCCCCCCCCNCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s7s11d15;d5;s17;s3d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-KZYNYBXEAHUALR_on_Q14833_WT,Low,ExCAPE-DB,57393276,O=C(COc1ccccc1Br)c1cnc(NCCN2CCOCC2)cc1,KZYNYBXEAHUALR,KZYNYBXEAHUALR-UHFFFAOYSA-N,"InChI=1S/C19H22BrN3O3/c20-16-3-1-2-4-18(16)26-14-17(24)15-5-6-19(22-13-15)21-7-8-23-9-11-25-12-10-23/h1-6,13H,7-12,14H2,(H,21,22)","""AuxInfo=1/1/N:8,7,9,6,26,25,17,18,20,24,21,23,13,3,12,10,2,5,15,11,16,14,19,1,22,4/E:(9,10)(11,12)/rA:26OCCOCCCCCCBrCCNCNCCNCCOCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s15;s12d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-LGVLFFFHDBFCTR_on_P41594_WT,Low,ExCAPE-DB,16735661,COc1ccc(C#Cc2nncc(C)n2)c(C)c1,LGVLFFFHDBFCTR,LGVLFFFHDBFCTR-UHFFFAOYSA-N,"InChI=1S/C14H13N3O/c1-10-8-13(18-3)6-4-12(10)5-7-14-16-11(2)9-15-17-14/h4,6,8-9H,1-3H3","""AuxInfo=1/0/N:17,14,1,5,7,4,8,18,12,16,13,6,3,9,11,15,10,2/rA:18COCCCCCCCNNCCCNCCC/rB:s1;s2;d3;s4;d5;s6;t7;s8;d9;s10;d11;s12;s13;s9d13;s6;s16;s3d16;/rC:;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-LOOGPKFISVEXCP_on_Q14833_WT,Low,ExCAPE-DB,56587866,Clc1cccc(-c2n[nH]c(-c3ccccn3)n2)c1,LOOGPKFISVEXCP,LOOGPKFISVEXCP-UHFFFAOYSA-N,"InChI=1S/C13H9ClN4/c14-10-5-3-4-9(8-10)12-16-13(18-17-12)11-6-1-2-7-15-11/h1-8H,(H,16,17,18)","""AuxInfo=1/1/N:13,14,4,5,3,12,15,18,6,2,11,7,10,1,16,17,8,9/rA:18ClCCCCCCNNCCCCCCNNC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s11d15;s7d10;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-LWIZJEZAUMIMNW_on_Q14833_WT,Low,ExCAPE-DB,56587909,COc1c(Cl)cc2nc(-c3cnccn3)[nH]c2c1,LWIZJEZAUMIMNW,LWIZJEZAUMIMNW-UHFFFAOYSA-N,"InChI=1S/C12H9ClN4O/c1-18-11-5-9-8(4-7(11)13)16-12(17-9)10-6-14-2-3-15-10/h2-6H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,13,14,6,18,11,4,7,17,10,3,9,5,12,15,8,16,2/rA:18COCCClCCNCCCNCCNNCC/rB:s1;s2;d3;s4;s4;d6;s7;d8;s9;d10;s11;d12;s13;s10d14;s9;s7s16;s3d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-LWMSEZDDUOXMEY_on_Q14833_WT,Low,ExCAPE-DB,56587884,O=C(c1ccco1)N1CCOc2ccc(Cl)cc21,LWMSEZDDUOXMEY,LWMSEZDDUOXMEY-UHFFFAOYSA-N,"InChI=1S/C13H10ClNO3/c14-9-3-4-11-10(8-9)15(5-7-18-11)13(16)12-2-1-6-17-12/h1-4,6,8H,5,7H2","""AuxInfo=1/0/N:5,4,14,13,9,6,10,17,15,18,12,3,2,16,8,1,7,11/rA:18OCCCCCONCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;d12;s13;d14;s15;s15;s8s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-MBKMYMCNLKDBSN_on_Q14833_WT,Low,ExCAPE-DB,56587914,COc1cc(-n2cc3ccccc3c2O)ccc1Cl,MBKMYMCNLKDBSN,MBKMYMCNLKDBSN-UHFFFAOYSA-N,"InChI=1S/C15H12ClNO2/c1-19-14-8-11(6-7-13(14)16)17-9-10-4-2-3-5-12(10)15(17)18/h2-9,18H,1H3","""AuxInfo=1/0/N:1,10,11,9,12,16,17,4,7,8,5,13,18,3,14,19,6,15,2/rA:19COCCCNCCCCCCCCOCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s8s12;s6d13;s14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-MCHPDKAPPVFFEA_on_Q14833_WT,Low,ExCAPE-DB,7847661,COc1ccc(C(=O)COc2ccccc2Br)c(OC)c1,MCHPDKAPPVFFEA,MCHPDKAPPVFFEA-UHFFFAOYSA-N,"InChI=1S/C16H15BrO4/c1-19-11-7-8-12(16(9-11)20-2)14(18)10-21-15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:1,20,14,13,15,12,4,5,21,9,3,6,16,7,11,18,17,8,2,19,10/rA:21COCCCCCOCOCCCCCCBrCOCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;s16;s6;s18;s19;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632729,PubChemAID:632729,2012.0,PubChemAID:632729,2012,0,0,0,0,1,N,,,,,,,,
-MQXRROKNTPSQGB_on_Q14833_WT,Low,ExCAPE-DB,56587841,COc1cc(Nc2nccc3cccnc23)ccc1Cl,MQXRROKNTPSQGB,MQXRROKNTPSQGB-UHFFFAOYSA-N,"InChI=1S/C15H12ClN3O/c1-20-13-9-11(4-5-12(13)16)19-15-14-10(6-8-18-15)3-2-7-17-14/h2-9H,1H3,(H,18,19)","""AuxInfo=1/1/N:1,13,12,17,18,10,14,9,4,11,5,19,3,16,7,20,15,8,6,2/rA:20COCCCNCNCCCCCCNCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s7s11d15;d5;s17;s3d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-MZDNPCFCERFSIB_on_Q14833_WT,Low,ExCAPE-DB,56587853,COc1cc(Nc2nc3c(cccc3)o2)ccc1Cl,MZDNPCFCERFSIB,MZDNPCFCERFSIB-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c1-18-13-8-9(6-7-10(13)15)16-14-17-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,16,17)","""AuxInfo=1/1/N:1,13,12,14,11,16,17,4,5,18,9,10,3,7,19,6,8,2,15/rA:19COCCCNCNCCCCCCOCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;s9d13;s7s10;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-MZXZJQKERZBYOZ_on_Q14833_WT,Low,ExCAPE-DB,53317539,O=C(Nc1ccc2c(c1)ccn2C(=O)c1ccccn1)c1ccccc1Cl,MZXZJQKERZBYOZ,MZXZJQKERZBYOZ-UHFFFAOYSA-N,"InChI=1S/C21H14ClN3O2/c22-17-6-2-1-5-16(17)20(26)24-15-8-9-19-14(13-15)10-12-25(19)21(27)18-7-3-4-11-23-18/h1-13H,(H,24,26)","""AuxInfo=1/1/N:23,24,17,18,22,25,16,5,6,10,19,11,9,8,4,21,26,15,7,2,13,27,20,3,12,1,14/rA:27OCNCCCCCCCCNCOCCCCCNCCCCCCCl/rB:d1;s2;s3;d4;s5;d6;s7;s4d8;s8;d10;s7s11;s12;d13;s13;d15;s16;d17;s18;s15d19;s2;d21;s22;d23;s24;s21d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
-NCAZRKFIGJVHLN_on_Q14833_WT,Low,ExCAPE-DB,730305,O=C(O)C1CCCCC1C(=O)NCc1ccccc1,NCAZRKFIGJVHLN,NCAZRKFIGJVHLN-UHFFFAOYSA-N,"InChI=1S/C15H19NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:17,16,18,7,6,15,19,8,5,13,14,9,4,10,2,12,11,1,3/E:(2,3)(6,7)(18,19)/rA:19OCOCCCCCCCONCCCCCCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-NFNZGNPPPSUBSN_on_Q14833_WT,Low,ExCAPE-DB,56587920,COc1cc(-c2nc(-c3ccccn3)no2)cc(OC)c1,NFNZGNPPPSUBSN,NFNZGNPPPSUBSN-UHFFFAOYSA-N,"InChI=1S/C15H13N3O3/c1-19-11-7-10(8-12(9-11)20-2)15-17-14(18-21-15)13-5-3-4-6-16-13/h3-9H,1-2H3","""AuxInfo=1/0/N:1,20,11,12,10,13,4,17,21,5,3,18,9,8,6,14,7,15,2,19,16/E:(1,2)(7,8)(11,12)(19,20)/rA:21COCCCCNCCCCCCNNOCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;s8;d9;s10;d11;s12;s9d13;d8;s6s15;d5;s17;s18;s19;s3d18;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-NHNGVLKLLVHWEV_on_Q14833_WT,Low,ExCAPE-DB,57398488,O=C(CSc1ccccc1Br)c1cnc(Cl)cc1,NHNGVLKLLVHWEV,NHNGVLKLLVHWEV-UHFFFAOYSA-N,"InChI=1S/C13H9BrClNOS/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2","""AuxInfo=1/0/N:8,7,9,6,18,17,13,3,12,10,2,5,15,11,16,14,1,4/rA:18OCCSCCCCCCBrCCNCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-NJFZDLSWXMJLPT_on_Q14833_WT,Low,ExCAPE-DB,45484640,O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1C(=O)N1CCOCC1,NJFZDLSWXMJLPT,NJFZDLSWXMJLPT-UHFFFAOYSA-N,"InChI=1S/C18H22Cl2N2O3/c19-12-9-13(20)11-14(10-12)21-17(23)15-3-1-2-4-16(15)18(24)22-5-7-25-8-6-22/h9-11,15-16H,1-8H2,(H,21,23)","""AuxInfo=1/1/N:14,15,13,16,21,25,22,24,8,5,11,6,9,4,12,17,2,18,7,10,3,20,1,19,23/E:(5,6)(7,8)(10,11)(12,13)(19,20)/rA:25OCNCCCClCCClCCCCCCCCONCCOCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-NLSXSZDSBWRWRT_on_O00222_WT,Low,ExCAPE-DB,73058439,COC(=O)c1ccc(-n2c(C)cc(C(=O)CNc3ccc(C(=O)O)cc3)c2C)cc1,NLSXSZDSBWRWRT,NLSXSZDSBWRWRT-UHFFFAOYSA-N,"InChI=1S/C23H22N2O5/c1-14-12-20(21(26)13-24-18-8-4-16(5-9-18)22(27)28)15(2)25(14)19-10-6-17(7-11-19)23(29)30-3/h4-12,24H,13H2,1-3H3,(H,27,28)","""AuxInfo=1/1/N:11,28,1,20,25,6,30,19,26,7,29,12,16,10,27,21,5,18,8,13,14,22,3,17,9,15,23,24,4,2/E:(4,5)(6,7)(8,9)(10,11)(27,28)/rA:30COCOCCCCNCCCCCOCNCCCCCOOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",O00222_WT,O00222,WT,PubChemAID:743425,PubChemAID:743425,2014.0,PubChemAID:743425,2014,0,0,0,0,1,N,,,,,,,,
-NLSXSZDSBWRWRT_on_Q14833_WT,Low,ExCAPE-DB,73058439,COC(=O)c1ccc(-n2c(C)cc(C(=O)CNc3ccc(C(=O)O)cc3)c2C)cc1,NLSXSZDSBWRWRT,NLSXSZDSBWRWRT-UHFFFAOYSA-N,"InChI=1S/C23H22N2O5/c1-14-12-20(21(26)13-24-18-8-4-16(5-9-18)22(27)28)15(2)25(14)19-10-6-17(7-11-19)23(29)30-3/h4-12,24H,13H2,1-3H3,(H,27,28)","""AuxInfo=1/1/N:11,28,1,20,25,6,30,19,26,7,29,12,16,10,27,21,5,18,8,13,14,22,3,17,9,15,23,24,4,2/E:(4,5)(6,7)(8,9)(10,11)(27,28)/rA:30COCOCCCCNCCCCCOCNCCCCCOOCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s8;s9;s10;d10;s12;s13;d14;s14;s16;s17;d18;s19;d20;s21;d22;s22;s21;s18d25;s9d13;s27;s8;s5d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,N,,,,,,,,
-NMALCZCKUYGHAY_on_Q14833_WT,Low,ExCAPE-DB,46853658,O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ccncc1,NMALCZCKUYGHAY,NMALCZCKUYGHAY-UHFFFAOYSA-N,"InChI=1S/C18H13N3O5S2/c22-18(13-9-11-19-12-10-13)20-14-5-7-15(8-6-14)21-27(23,24)16-3-1-2-4-17(16)28(21,25)26/h1-12H,(H,20,22)","""AuxInfo=1/1/N:15,16,14,17,5,22,6,21,24,28,25,27,23,4,7,13,12,2,26,3,8,1,19,20,10,11,18,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28OCNCCCCNSOOCCCCCCSOOCCCCCNCC/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;d9;s9;d12;s13;d14;s15;s12d16;s8s13;d18;d18;s7;s4d21;s2;d23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:631408,PubChemAID:631408,2012.0,PubChemAID:631408,2012,0,0,0,0,1,N,,,,,,,,
-NNMADTQIUSNUCE_on_Q14833_WT,Low,ExCAPE-DB,56587844,COc1cc(Nc2nccc3ccccc23)ccc1Cl,NNMADTQIUSNUCE,NNMADTQIUSNUCE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-20-15-10-12(6-7-14(15)17)19-16-13-5-3-2-4-11(13)8-9-18-16/h2-10H,1H3,(H,18,19)","""AuxInfo=1/1/N:1,13,14,12,15,17,18,10,9,4,11,5,16,19,3,7,20,8,6,2/rA:20COCCCNCNCCCCCCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;s10;d11;s12;d13;s14;s7s11d15;d5;s17;s3d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-NXBUWBRIKQCYBO_on_Q14833_WT,Low,ExCAPE-DB,56587876,O=C(c1cccs1)N1CCOc2ccc(Cl)cc21,NXBUWBRIKQCYBO,NXBUWBRIKQCYBO-UHFFFAOYSA-N,"InChI=1S/C13H10ClNO2S/c14-9-3-4-11-10(8-9)15(5-6-17-11)13(16)12-2-1-7-18-12/h1-4,7-8H,5-6H2","""AuxInfo=1/0/N:5,4,14,13,9,10,6,17,15,18,12,3,2,16,8,1,11,7/rA:18OCCCCCSNCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s3s6;s2;s8;s9;s10;s11;d12;s13;d14;s15;s15;s8s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-OCYOUIOOHVODBT_on_Q14833_WT,Low,ExCAPE-DB,57401987,O=C(COc1ccccc1Br)c1cnccc1,OCYOUIOOHVODBT,OCYOUIOOHVODBT-UHFFFAOYSA-N,"InChI=1S/C13H10BrNO2/c14-11-5-1-2-6-13(11)17-9-12(16)10-4-3-7-15-8-10/h1-8H,9H2","""AuxInfo=1/0/N:8,7,16,17,9,6,15,13,3,12,10,2,5,11,14,1,4/rA:17OCCOCCCCCCBrCCNCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-OFQOZMGYZVSWRN_on_Q14833_WT,Low,ExCAPE-DB,56587882,COc1nc(C(=O)N2CCOc3ccc(Cl)cc32)ccc1,OFQOZMGYZVSWRN,OFQOZMGYZVSWRN-UHFFFAOYSA-N,"InChI=1S/C15H13ClN2O3/c1-20-14-4-2-3-11(17-14)15(19)18-7-8-21-13-6-5-10(16)9-12(13)18/h2-6,9H,7-8H2,1H3","""AuxInfo=1/0/N:1,20,19,21,14,13,9,10,17,15,5,18,12,3,6,16,4,8,7,2,11/rA:21COCNCCONCCOCCCCClCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;s15;s15;s8s12d17;d5;s19;s3d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-OJDJPOTYMRLBOZ_on_Q14833_WT,Low,ExCAPE-DB,45484566,CC1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)=C(C(=O)O)C1,OJDJPOTYMRLBOZ,OJDJPOTYMRLBOZ-UHFFFAOYSA-N,"InChI=1S/C15H15Cl2NO3/c1-8-2-3-12(13(4-8)15(20)21)14(19)18-11-6-9(16)5-10(17)7-11/h5-8H,2-4H2,1H3,(H,18,19)(H,20,21)","""AuxInfo=1/1/N:1,3,4,21,13,10,16,2,11,14,9,5,17,6,18,12,15,8,7,19,20/E:(6,7)(9,10)(16,17)(20,21)/rA:21CCCCCCONCCCClCCClCCCOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;d11;s13;s14;s9d14;w?5;s17;d18;s18;s2s17;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-OWQFXOWBVPFQQJ_on_Q14833_WT,Low,ExCAPE-DB,57394963,O=C(COc1ccccc1F)c1ccc(Cl)nc1,OWQFXOWBVPFQQJ,OWQFXOWBVPFQQJ-UHFFFAOYSA-N,"InChI=1S/C13H9ClFNO2/c14-13-6-5-9(7-16-13)11(17)8-18-12-4-2-1-3-10(12)15/h1-7H,8H2","""AuxInfo=1/0/N:8,7,9,6,13,14,18,3,12,10,2,5,15,16,11,17,1,4/rA:18OCCOCCCCCCFCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-OXWZXXXCEKAUDX_on_Q14833_WT,Low,ExCAPE-DB,56587864,O=C(c1ccccn1)N1CCOc2c1cccc2Cl,OXWZXXXCEKAUDX,OXWZXXXCEKAUDX-UHFFFAOYSA-N,"InChI=1S/C14H11ClN2O2/c15-10-4-3-6-12-13(10)19-9-8-17(12)14(18)11-5-1-2-7-16-11/h1-7H,8-9H2","""AuxInfo=1/0/N:5,6,16,17,4,15,7,10,11,18,3,14,13,2,19,8,9,1,12/rA:19OCCCCCCNNCCOCCCCCCCl/rB:d1;s2;d3;s4;d5;s6;s3d7;s2;s9;s10;s11;s12;s9d13;s14;d15;s16;s13d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-PLARIKWIGZHYSK_on_Q14833_WT,Low,ExCAPE-DB,57400157,O=C(COc1ccccc1Br)c1cnc(NC2CC2)cc1,PLARIKWIGZHYSK,PLARIKWIGZHYSK-UHFFFAOYSA-N,"InChI=1S/C16H15BrN2O2/c17-13-3-1-2-4-15(13)21-10-14(20)11-5-8-16(18-9-11)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,19)","""AuxInfo=1/1/N:8,7,9,6,21,18,19,20,13,3,12,17,10,2,5,15,11,14,16,1,4/E:(6,7)/rA:21OCCOCCCCCCBrCCNCNCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s17s18;s15;s12d20;/rC:;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-PLTCTMUPHWVZOP_on_Q14833_WT,Low,ExCAPE-DB,889460,COc1cc(NC(=O)c2ccccc2C)ccc1Cl,PLTCTMUPHWVZOP,PLTCTMUPHWVZOP-UHFFFAOYSA-N,"InChI=1S/C15H14ClNO2/c1-10-5-3-4-6-12(10)15(18)17-11-7-8-13(16)14(9-11)19-2/h3-9H,1-2H3,(H,17,18)","""AuxInfo=1/1/N:15,1,12,11,13,10,16,17,4,14,5,9,18,3,7,19,6,8,2/rA:19COCCCNCOCCCCCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-PPHFFFRLYQQCMY_on_Q14833_WT,Low,ExCAPE-DB,57393243,O=C(COc1ccccc1Br)c1cnc(Oc2ccccc2Cl)cc1,PPHFFFRLYQQCMY,PPHFFFRLYQQCMY-UHFFFAOYSA-N,"InChI=1S/C19H13BrClNO3/c20-14-5-1-3-7-17(14)24-12-16(23)13-9-10-19(22-11-13)25-18-8-4-2-6-15(18)21/h1-11H,12H2","""AuxInfo=1/0/N:8,20,7,19,9,21,6,18,25,24,13,3,12,10,22,2,5,17,15,11,23,14,1,4,16/rA:25OCCOCCCCCCBrCCNCOCCCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;d17;s18;d19;s20;s17d21;s22;s15;s12d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-PRJVXFRTVSKMMY_on_P41594_WT,Low,ExCAPE-DB,54585492,O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccc(Cl)cc1)cc2,PRJVXFRTVSKMMY,PRJVXFRTVSKMMY-UHFFFAOYSA-N,"InChI=1S/C22H21ClN2O/c23-17-9-6-16(7-10-17)8-11-18-12-13-20-21(24-18)14-15-25(22(20)26)19-4-2-1-3-5-19/h6-7,9-10,12-13,19H,1-5,14-15H2","""AuxInfo=1/0/N:11,10,12,9,13,19,24,17,20,23,16,25,26,5,6,18,21,15,8,3,4,2,22,14,7,1/E:(2,3)(4,5)(6,7)(9,10)/rA:26OCCCCCNCCCCCCNCCCCCCCClCCCC/rB:d1;s2;d3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;s4;d14;s15;t16;s17;d18;s19;d20;s21;s21;s18d23;s15;s3d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:598492,PMID:21531137,2011.0,PubChemAID:598492,2012,0,0,0,0,1,N,,,,,,,,
-PYHZHMCVYVFABA_on_Q14833_WT,Low,ExCAPE-DB,56587898,O=C1COc2c(ccc(NC(=O)c3ccccn3)c2)N1,PYHZHMCVYVFABA,PYHZHMCVYVFABA-UHFFFAOYSA-N,"InChI=1S/C14H11N3O3/c18-13-8-20-12-7-9(4-5-10(12)17-13)16-14(19)11-3-1-2-6-15-11/h1-7H,8H2,(H,16,19)(H,17,18)","""AuxInfo=1/1/N:15,16,14,8,7,17,19,3,9,6,13,5,2,11,18,10,20,1,12,4/rA:20OCCOCCCCCNCOCCCCCNCN/rB:d1;s2;s3;s4;d5;s6;d7;s8;s9;s10;d11;s11;d13;s14;d15;s16;s13d17;s5d9;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
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-QMGMYJBSZVYNPE_on_Q14833_WT,Low,ExCAPE-DB,73058509,Cc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1,QMGMYJBSZVYNPE,QMGMYJBSZVYNPE-UHFFFAOYSA-N,"InChI=1S/C23H23F2NO2S/c1-15-4-6-18(7-5-15)13-29-14-22(27)21-12-16(2)26(17(21)3)19-8-10-20(11-9-19)28-23(24)25/h4-12,23H,13-14H2,1-3H3","""AuxInfo=1/0/N:1,26,13,3,29,4,28,16,24,17,23,27,6,8,2,25,12,5,15,18,11,9,20,21,22,14,10,19,7/E:(4,5)(6,7)(8,9)(10,11)(24,25)/rA:29CCCCCCSCCOCCCNCCCCOCFFCCCCCCC/rB:s1;d2;s3;d4;s5;s6;s7;s8;d9;s9;d11;s12;s12;s14;d15;s16;d17;s18;s19;s20;s20;s18;s15d23;s14;s25;s11d25;s5;s2d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:743423,PubChemAID:743423,2014.0,PubChemAID:743423,2014,0,0,0,0,1,N,,,,,,,,
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-QTISWZWEQILUGL_on_Q14833_WT,Low,ExCAPE-DB,56587826,COc1c(Cl)cc(Nc2ncnc3cccnc23)cc1,QTISWZWEQILUGL,QTISWZWEQILUGL-UHFFFAOYSA-N,"InChI=1S/C14H11ClN4O/c1-20-12-5-4-9(7-10(12)15)19-14-13-11(17-8-18-14)3-2-6-16-13/h2-8H,1H3,(H,17,18,19)","""AuxInfo=1/1/N:1,15,14,19,20,16,6,11,7,4,13,3,18,9,5,17,12,10,8,2/rA:20COCCClCCNCNCNCCCCNCCC/rB:s1;s2;d3;s4;s4;d6;s7;s8;d9;s10;d11;s12;d13;s14;d15;s16;s9s13d17;s7;s3d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
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-RNOOSNGFFAQCSC_on_Q14833_WT,Low,ExCAPE-DB,56587880,O=C(c1cccc(Cl)n1)N1CCOc2ccc(Cl)cc21,RNOOSNGFFAQCSC,RNOOSNGFFAQCSC-UHFFFAOYSA-N,"InChI=1S/C14H10Cl2N2O2/c15-9-4-5-12-11(8-9)18(6-7-20-12)14(19)10-2-1-3-13(16)17-10/h1-5,8H,6-7H2","""AuxInfo=1/0/N:5,4,6,16,15,11,12,19,17,3,20,14,7,2,18,8,9,10,1,13/rA:20OCCCCCCClNNCCOCCCCClCC/rB:d1;s2;d3;s4;d5;s6;s7;s3d7;s2;s10;s11;s12;s13;d14;s15;d16;s17;s17;s10s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-RNUCHTKNUCXXPR_on_Q14833_WT,Low,ExCAPE-DB,40554024,O=C(O)C1CCCCC1C(=O)Nc1cc(Br)ccc1,RNUCHTKNUCXXPR,RNUCHTKNUCXXPR-UHFFFAOYSA-N,"InChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:7,6,18,17,19,8,5,14,15,13,9,4,10,2,16,12,11,1,3/E:(18,19)/rA:19OCOCCCCCCCONCCCBrCCC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;d15;s17;s13d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-RZBPGMXWVMEJTD_on_Q14833_WT,Low,ExCAPE-DB,51003186,COc1cc(NC(=O)c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccccc1Cl,RZBPGMXWVMEJTD,RZBPGMXWVMEJTD-UHFFFAOYSA-N,"InChI=1S/C25H19ClN2O4/c1-31-23-15-17(11-12-20(23)28-24(29)18-9-5-6-10-19(18)26)27-25(30)22-14-13-21(32-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,27,30)(H,28,29)","""AuxInfo=1/1/N:1,16,15,17,28,29,14,18,27,30,20,21,11,10,4,13,5,26,31,22,12,9,3,24,7,32,6,23,25,8,2,19/E:(3,4)(7,8)/rA:32COCCCNCOCCCCCCCCCCOCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s9s12;d5;s20;s3d21;s22;s23;d24;s24;d26;s27;d28;s29;s26d30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
-SBXVGGFACXUTRM_on_Q14833_WT,Low,ExCAPE-DB,57400190,O=C(COc1ccccc1Br)c1cnc(N2CCCCC2)cc1,SBXVGGFACXUTRM,SBXVGGFACXUTRM-UHFFFAOYSA-N,"InChI=1S/C18H19BrN2O2/c19-15-6-2-3-7-17(15)23-13-16(22)14-8-9-18(20-12-14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2","""AuxInfo=1/0/N:19,8,7,18,20,9,6,23,22,17,21,13,3,12,10,2,5,15,11,14,16,1,4/E:(4,5)(10,11)/rA:23OCCOCCCCCCBrCCNCNCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s19;s16s20;s15;s12d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-SKDFGZFJZHTMNM_on_Q14833_WT,Low,ExCAPE-DB,51003328,O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)c(Cl)c1)c1ccccn1,SKDFGZFJZHTMNM,SKDFGZFJZHTMNM-UHFFFAOYSA-N,"InChI=1S/C19H12ClF2N3O2/c20-14-10-12(24-19(27)17-3-1-2-8-23-17)5-7-16(14)25-18(26)13-6-4-11(21)9-15(13)22/h1-10H,(H,24,27)(H,25,26)","""AuxInfo=1/1/N:24,25,23,13,5,12,6,26,16,21,14,4,11,19,17,7,22,9,2,20,15,18,27,3,8,10,1/rA:27OCNCCCCNCOCCCCFCCFCClCCCCCCN/rB:d1;s2;s3;d4;s5;d6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;s17;s7;s19;s4d19;s2;d22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
-SPUOPTCIVFNKFX_on_Q14833_WT,Low,ExCAPE-DB,18607495,O=C(O)C1CCCCC1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,SPUOPTCIVFNKFX,SPUOPTCIVFNKFX-UHFFFAOYSA-N,"InChI=1S/C16H15F6NO3/c17-15(18,19)8-5-9(16(20,21)22)7-10(6-8)23-13(24)11-3-1-2-4-12(11)14(25)26/h5-7,11-12H,1-4H2,(H,23,24)(H,25,26)","""AuxInfo=1/1/N:7,6,8,5,20,14,26,15,21,13,9,4,10,2,16,22,17,18,19,23,24,25,12,11,1,3/E:(6,7)(8,9)(15,16)(17,18,19,20,21,22)(25,26)/rA:26OCOCCCCCCCONCCCCFFFCCCFFFC/rB:d1;s2;s2;s4;s5;s6;s7;s4s8;s9;d10;s10;s12;d13;s14;s15;s16;s16;s16;d15;s20;s21;s22;s22;s22;s13d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-SSTCKPLBWIAVQH_on_Q14833_WT,Low,ExCAPE-DB,56587905,O=C1c2c(nccc2)C(=O)N1c1cc(Cl)ccc1,SSTCKPLBWIAVQH,SSTCKPLBWIAVQH-UHFFFAOYSA-N,InChI=1S/C13H7ClN2O2/c14-8-3-1-4-9(7-8)16-12(17)10-5-2-6-15-11(10)13(16)18/h1-7H,"""AuxInfo=1/0/N:17,7,16,18,8,6,13,14,12,3,4,2,9,15,5,11,1,10/rA:18OCCCNCCCCONCCCClCCC/rB:d1;s2;d3;s4;d5;s6;s3d7;s4;d9;s2s9;s11;d12;s13;s14;d14;s16;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
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-TUYINAUNZVWOCW_on_P41594_WT,Low,ExCAPE-DB,44410630,Clc1c(Cl)cc(-c2ccnc(-c3ccccn3)n2)cc1,TUYINAUNZVWOCW,TUYINAUNZVWOCW-UHFFFAOYSA-N,InChI=1S/C15H9Cl2N3/c16-11-5-4-10(9-12(11)17)13-6-8-19-15(20-13)14-3-1-2-7-18-14/h1-9H,"""AuxInfo=1/0/N:14,15,13,19,20,8,16,9,5,6,2,3,7,12,11,1,4,17,10,18/rA:20ClCCClCCCCCNCCCCCCNNCC/rB:s1;d2;s3;s3;d5;s6;d7;s8;d9;s10;s11;d12;s13;d14;s15;s12d16;s7d11;s6;s2d19;/rC:;;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:263826,PubChemAID:263826,2010.0,PubChemAID:263826,2010,0,0,0,0,1,N,,,,,,,,
-TVJQXBHBSKEAII_on_Q14833_WT,Low,ExCAPE-DB,51003330,COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl,TVJQXBHBSKEAII,TVJQXBHBSKEAII-UHFFFAOYSA-N,"InChI=1S/C20H16ClN3O3/c1-27-18-8-3-2-6-14(18)19(25)24-16-10-9-13(12-15(16)21)23-20(26)17-7-4-5-11-22-17/h2-12H,1H3,(H,23,26)(H,24,25)","""AuxInfo=1/1/N:1,6,5,21,22,7,20,4,14,13,23,25,15,8,26,12,19,3,9,17,27,24,16,11,10,18,2/rA:27COCCCCCCCONCCCCNCOCCCCCNCCCl/rB:s1;s2;d3;s4;d5;s6;s3d7;s8;d9;s9;s11;d12;s13;d14;s15;s16;d17;s17;d19;s20;d21;s22;s19d23;s15;s12d25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:577305,PubChemAID:577305,2011.0,PubChemAID:577305,2011,0,0,0,0,1,N,,,,,,,,
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-UBUUQCDSOIDUIJ_on_Q14833_WT,Low,ExCAPE-DB,57403689,CN1CCN(c2ncc(C(=O)COc3ccccc3Br)cc2)CC1,UBUUQCDSOIDUIJ,UBUUQCDSOIDUIJ-UHFFFAOYSA-N,"InChI=1S/C18H20BrN3O2/c1-21-8-10-22(11-9-21)18-7-6-14(12-20-18)16(23)13-24-17-5-3-2-4-15(17)19/h2-7,12H,8-11,13H2,1H3","""AuxInfo=1/0/N:1,17,16,18,15,21,22,3,24,4,23,8,12,9,19,10,14,6,20,7,2,5,11,13/E:(8,9)(10,11)/rA:24CNCCNCNCCCOCOCCCCCCBrCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s9;d10;s10;s12;s13;d14;s15;d16;s17;s14d18;s19;s9;s6d21;s5;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-ULKVLCRTZLCUOV_on_Q14833_WT,Low,ExCAPE-DB,56587915,COc1cc(NS(=O)(=O)c2ccccn2)ccc1Cl,ULKVLCRTZLCUOV,ULKVLCRTZLCUOV-UHFFFAOYSA-N,"InChI=1S/C12H11ClN2O3S/c1-18-11-8-9(5-6-10(11)13)15-19(16,17)12-4-2-3-7-14-12/h2-8,15H,1H3","""AuxInfo=1/0/N:1,12,13,11,16,17,14,4,5,18,3,10,19,15,6,8,9,2,7/E:(16,17)/CRV:19.6/rA:19COCCCNSOOCCCCCNCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;d7;s7;d10;s11;d12;s13;s10d14;d5;s16;s3d17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ULYPNOLFLINJQP_on_Q14833_WT,Low,ExCAPE-DB,56587835,Fc1cccc(Nc2ncnc3cccnc23)c1,ULYPNOLFLINJQP,ULYPNOLFLINJQP-UHFFFAOYSA-N,"InChI=1S/C13H9FN4/c14-9-3-1-4-10(7-9)18-13-12-11(16-8-17-13)5-2-6-15-12/h1-8H,(H,16,17,18)","""AuxInfo=1/1/N:4,14,3,5,13,15,18,10,2,6,12,17,8,1,16,11,9,7/rA:18FCCCCCNCNCNCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
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-WYBREOJEPBCWSG_on_Q14833_WT,Low,ExCAPE-DB,56587862,Cc1nsc(NC(=O)c2ccccn2)n1,WYBREOJEPBCWSG,WYBREOJEPBCWSG-UHFFFAOYSA-N,"InChI=1S/C9H8N4OS/c1-6-11-9(15-13-6)12-8(14)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13,14)","""AuxInfo=1/1/N:1,11,12,10,13,2,9,7,5,14,15,6,3,8,4/rA:15CCNSCNCOCCCCCNN/rB:s1;d2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s2d5;/rC:;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-XEZCSXIIDHFTMS_on_Q14833_WT,Low,ExCAPE-DB,43318424,O=C(O)C1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1,XEZCSXIIDHFTMS,XEZCSXIIDHFTMS-UHFFFAOYSA-N,"InChI=1S/C13H14Cl2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)","""AuxInfo=1/1/N:6,5,7,16,13,19,20,4,14,17,12,2,9,15,18,11,8,1,3,10/E:(5,6)(9,10)(14,15)(18,19)/rA:20OCOCCCCNCONCCCClCCClCC/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-XHDLDLGVOFTIAB_on_Q14833_WT,Low,ExCAPE-DB,57393275,O=C(COc1ccccc1Br)c1cnc(N2CCCC2)cc1,XHDLDLGVOFTIAB,XHDLDLGVOFTIAB-UHFFFAOYSA-N,"InChI=1S/C17H17BrN2O2/c18-14-5-1-2-6-16(14)22-12-15(21)13-7-8-17(19-11-13)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2","""AuxInfo=1/0/N:8,7,18,19,9,6,22,21,17,20,13,3,12,10,2,5,15,11,14,16,1,4/E:(3,4)(9,10)/rA:22OCCOCCCCCCBrCCNCNCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s16;s17;s18;s16s19;s15;s12d21;/rC:;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-XSZBZDUEEAVSKX_on_Q14833_WT,Low,ExCAPE-DB,57394962,O=C(COc1ccccc1)c1ccc(Cl)nc1,XSZBZDUEEAVSKX,XSZBZDUEEAVSKX-UHFFFAOYSA-N,"InChI=1S/C13H10ClNO2/c14-13-7-6-10(8-15-13)12(16)9-17-11-4-2-1-3-5-11/h1-8H,9H2","""AuxInfo=1/0/N:8,7,9,6,10,12,13,17,3,11,5,2,14,15,16,1,4/E:(2,3)(4,5)/rA:17OCCOCCCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s2;d11;s12;d13;s14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-YCQKXHFQFGDCHJ_on_Q14833_WT,Low,ExCAPE-DB,56587867,O=C(NCc1cc(Cl)ccc1)c1ccccn1,YCQKXHFQFGDCHJ,YCQKXHFQFGDCHJ-UHFFFAOYSA-N,"InChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)9-16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)","""AuxInfo=1/1/N:14,15,10,11,9,13,16,6,4,5,7,12,2,8,17,3,1/rA:17OCNCCCCClCCCCCCCCN/rB:d1;s2;s3;s4;d5;s6;s7;d7;s9;s5d10;s2;d12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-YFMVFSPDNPSFPT_on_Q14833_WT,Low,ExCAPE-DB,57394964,CN(C)c1cc(OCC(=O)c2ccc(Cl)nc2)ccc1,YFMVFSPDNPSFPT,YFMVFSPDNPSFPT-UHFFFAOYSA-N,"InChI=1S/C15H15ClN2O2/c1-18(2)12-4-3-5-13(8-12)20-10-14(19)11-6-7-15(16)17-9-11/h3-9H,10H2,1-2H3","""AuxInfo=1/0/N:1,3,19,20,18,12,13,5,17,8,11,4,6,9,14,15,16,2,10,7/E:(1,2)/rA:20CNCCCCOCCOCCCCClNCCCC/rB:s1;s2;s2;d4;s5;s6;s7;s8;d9;s9;d11;s12;d13;s14;s14;s11d16;d6;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-YSEUHLFKSMRIKS_on_Q14833_WT,Low,ExCAPE-DB,57394965,O=C(COc1ccccc1-c1cc2c(cccc2)o1)c1ccc(Cl)nc1,YSEUHLFKSMRIKS,YSEUHLFKSMRIKS-UHFFFAOYSA-N,"InChI=1S/C21H14ClNO3/c22-21-10-9-15(12-23-21)17(24)13-25-19-8-4-2-6-16(19)20-11-14-5-1-3-7-18(14)26-20/h1-12H,13H2","""AuxInfo=1/0/N:17,8,16,7,18,9,15,6,21,22,12,26,3,13,20,10,2,14,5,11,23,24,25,1,4,19/rA:26OCCOCCCCCCCCCCCCCCOCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;d11;s12;d13;s14;d15;s16;s13d17;s11s14;s2;d20;s21;d22;s23;s23;s20d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-YUDHQGKBRRLUEH_on_Q14833_WT,Low,ExCAPE-DB,52270711,O=C(COc1ccccc1Br)c1ccc(Cl)cc1,YUDHQGKBRRLUEH,YUDHQGKBRRLUEH-UHFFFAOYSA-N,"InChI=1S/C14H10BrClO2/c15-12-3-1-2-4-14(12)18-9-13(17)10-5-7-11(16)8-6-10/h1-8H,9H2","""AuxInfo=1/0/N:8,7,9,6,13,18,14,17,3,12,15,10,2,5,11,16,1,4/E:(5,6)(7,8)/rA:18OCCOCCCCCCBrCCCCClCC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s2;d12;s13;d14;s15;s15;s12d17;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-YWSNJWSAQDJCBJ_on_Q14833_WT,Low,ExCAPE-DB,56587917,Brc1cccc(-c2nc(-c3ccccn3)no2)c1,YWSNJWSAQDJCBJ,YWSNJWSAQDJCBJ-UHFFFAOYSA-N,InChI=1S/C13H8BrN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H,"""AuxInfo=1/0/N:12,13,4,5,3,11,14,18,6,2,10,9,7,1,15,8,16,17/rA:18BrCCCCCCNCCCCCCNNOC/rB:s1;d2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s10d14;d9;s7s16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ZCFFBUZMOUWOPA_on_Q14833_WT,Low,ExCAPE-DB,45484557,CC1(C)C(C(=O)O)C1C(=O)Nc1cc(Cl)cc(Cl)c1,ZCFFBUZMOUWOPA,ZCFFBUZMOUWOPA-UHFFFAOYSA-N,"InChI=1S/C13H13Cl2NO3/c1-13(2)9(10(13)12(18)19)11(17)16-8-4-6(14)3-7(15)5-8/h3-5,9-10H,1-2H3,(H,16,17)(H,18,19)","""AuxInfo=1/1/N:1,3,16,13,19,14,17,12,8,4,9,5,2,15,18,11,10,6,7/E:(1,2)(4,5)(6,7)(14,15)(18,19)/rA:19CCCCCOOCCONCCCClCCClC/rB:s1;s2;s2;s4;d5;s5;s2s4;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-ZJBNTSOUKCZIGL_on_P41594_WT,Low,ExCAPE-DB,16735663,Cc1cnnc(C#Cc2ccc3ccccc3c2)n1,ZJBNTSOUKCZIGL,ZJBNTSOUKCZIGL-UHFFFAOYSA-N,"InChI=1S/C16H11N3/c1-12-11-17-19-16(18-12)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,1H3","""AuxInfo=1/0/N:1,14,15,13,16,10,8,11,7,18,3,2,9,12,17,6,4,19,5/rA:19CCCNNCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;s5;s6;t7;s8;d9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s2d6;/rC:;;;;;;;;;;;;;;;;;;;""",P41594_WT,P41594,WT,PubChemAID:291521,PubChemAID:291521,2010.0,PubChemAID:291521,2010,0,0,0,0,1,N,,,,,,,,
-ZKFCKQCYSAHBSY_on_Q14833_WT,Low,ExCAPE-DB,19882799,COc1cc(NC(C)=O)ccc1Cl,ZKFCKQCYSAHBSY,ZKFCKQCYSAHBSY-UHFFFAOYSA-N,"InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H,11,12)","""AuxInfo=1/1/N:8,1,10,11,4,7,5,12,3,13,6,9,2/rA:13COCCCNCCOCCCCl/rB:s1;s2;d3;s4;s5;s6;s7;d7;d5;s10;s3d11;s12;/rC:;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ZKWQENJRIZRBCF_on_Q14833_WT,Low,ExCAPE-DB,45484616,O=C(O)C1CCCC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1,ZKWQENJRIZRBCF,ZKWQENJRIZRBCF-UHFFFAOYSA-N,"InChI=1S/C14H15Cl2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20)","""AuxInfo=1/1/N:6,7,5,20,16,13,19,8,4,14,17,12,9,2,15,18,11,10,1,3/E:(6,7)(10,11)(15,16)(19,20)/rA:20OCOCCCCCCONCCCClCCClCC/rB:d1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;s14;d14;s16;s17;s12d17;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-ZLKOXVDPMGQTRN_on_Q14833_WT,Low,ExCAPE-DB,56587837,Fc1c(Cl)cc(Nc2ncnc3cccnc23)cc1,ZLKOXVDPMGQTRN,ZLKOXVDPMGQTRN-UHFFFAOYSA-N,"InChI=1S/C13H8ClFN4/c14-9-6-8(3-4-10(9)15)19-13-12-11(17-7-18-13)2-1-5-16-12/h1-7H,(H,17,18,19)","""AuxInfo=1/1/N:14,13,18,19,15,5,10,6,3,2,12,17,8,4,1,16,11,9,7/rA:19FCCClCCNCNCNCCCCNCCC/rB:s1;d2;s3;s3;d5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s6;s2d18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ZNBTZKAEVOIKQZ_on_Q14833_WT,Low,ExCAPE-DB,57398489,O=C(COc1ccccc1C1CC1)c1ccc(Cl)nc1,ZNBTZKAEVOIKQZ,ZNBTZKAEVOIKQZ-UHFFFAOYSA-N,"InChI=1S/C16H14ClNO2/c17-16-8-7-12(9-18-16)14(19)10-20-15-4-2-1-3-13(15)11-5-6-11/h1-4,7-9,11H,5-6,10H2","""AuxInfo=1/0/N:8,7,9,6,12,13,15,16,20,3,11,14,10,2,5,17,18,19,1,4/E:(5,6)/rA:20OCCOCCCCCCCCCCCCCClNC/rB:d1;s2;s3;s4;d5;s6;d7;s8;s5d9;s10;s11;s11s12;s2;d14;s15;d16;s17;s17;s14d19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:632731,PubChemAID:632731,2012.0,PubChemAID:632731,2012,0,0,0,0,1,N,,,,,,,,
-ZVMDRPIBTAHPOF_on_Q14833_WT,Low,ExCAPE-DB,45484635,Cc1nc(NC(=O)C2CCCCC2C(=O)O)nn1C,ZVMDRPIBTAHPOF,ZVMDRPIBTAHPOF-UHFFFAOYSA-N,"InChI=1S/C12H18N4O3/c1-7-13-12(15-16(7)2)14-10(17)8-5-3-4-6-9(8)11(18)19/h8-9H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)","""AuxInfo=1/1/N:1,19,10,11,9,12,2,8,13,6,14,4,3,5,17,18,7,15,16/E:(18,19)/rA:19CCNCNCOCCCCCCCOONNC/rB:s1;d2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s14;d4;s2s17;s18;/rC:;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
-ZXXBHBQRZCJFKI_on_Q14833_WT,Low,ExCAPE-DB,56587849,Clc1cccc(Nc2cccc3cccnc23)c1,ZXXBHBQRZCJFKI,ZXXBHBQRZCJFKI-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2/c16-12-6-2-7-13(10-12)18-14-8-1-4-11-5-3-9-17-15(11)14/h1-10,18H","""AuxInfo=1/0/N:10,4,14,11,13,3,5,9,15,18,12,2,6,8,17,1,16,7/rA:18ClCCCCCNCCCCCCCCNCC/rB:s1;d2;s3;d4;s5;s6;s7;d8;s9;d10;s11;d12;s13;d14;s15;s8s12d16;s2d6;/rC:;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ZYIQNVPHMVVMHL_on_Q14833_WT,Low,ExCAPE-DB,56587903,COc1cc(N2C(=O)c3c(nccc3)C2=O)ccc1Cl,ZYIQNVPHMVVMHL,ZYIQNVPHMVVMHL-UHFFFAOYSA-N,"InChI=1S/C14H9ClN2O3/c1-20-11-7-8(4-5-10(11)15)17-13(18)9-3-2-6-16-12(9)14(17)19/h2-7H,1H3","""AuxInfo=1/0/N:1,13,14,17,18,12,4,5,9,19,3,10,7,15,20,11,6,8,16,2/rA:20COCCCNCOCCNCCCCOCCCCl/rB:s1;s2;d3;s4;s5;s6;d7;s7;d9;s10;d11;s12;s9d13;s6s10;d15;d5;s17;s3d18;s19;/rC:;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:623876,PubChemAID:623876,2012.0,PubChemAID:623876,2012,0,0,0,0,1,N,,,,,,,,
-ZZHMAOVAQMUDLE_on_Q14833_WT,Low,ExCAPE-DB,45484622,O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1C(=O)NC1CC1,ZZHMAOVAQMUDLE,ZZHMAOVAQMUDLE-UHFFFAOYSA-N,"InChI=1S/C17H20Cl2N2O2/c18-10-7-11(19)9-13(8-10)21-17(23)15-4-2-1-3-14(15)16(22)20-12-5-6-12/h7-9,12,14-15H,1-6H2,(H,20,22)(H,21,23)","""AuxInfo=1/1/N:15,14,16,13,22,23,8,5,11,6,9,21,4,17,12,18,2,7,10,20,3,19,1/E:(5,6)(8,9)(10,11)(18,19)/rA:23OCNCCCClCCClCCCCCCCCONCCC/rB:d1;s2;s3;d4;s5;s6;d6;s8;s9;s4d9;s2;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;""",Q14833_WT,Q14833,WT,PubChemAID:447669,PubChemAID:447669,2010.0,PubChemAID:447669,2010,0,0,0,0,1,N,,,,,,,,
diff --git a/tutorial/data/parkinsons_pivot.tsv b/tutorial/data/parkinsons_pivot.tsv
deleted file mode 100644
index 34d1597d..00000000
--- a/tutorial/data/parkinsons_pivot.tsv
+++ /dev/null
@@ -1,8223 +0,0 @@
-SMILES	GABAAalpha	NMDA	O00222	O15303	P41594	Q13255	Q14416	Q14643	Q14831	Q14832	Q14833
-Brc1cc(-c2nc(-c3ncccc3)no2)ccc1					6.93						
-Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21	8.4										
-Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21	8.11										
-Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1	8.013333333333334										
-Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1	7.505										
-Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1	6.859999999999999										
-Brc1cccc(N2CCc3c(cccc3)C2)n1		4.82									
-Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1					5.542000000000001						
-Brc1cccc2c1ccc(C#Cc1ccccn1)n2					6.122999999999999						
-Brc1cnc(N2CCc3c(cccc3)C2)cc1		5.12									
-C#CC(C)(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O						6.77					
-C#CC(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O						6.502000000000001					
-C#CC(CC)(CC)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O						6.45					
-C#CCCC(=O)Nc1ccc(CCN(CCC)C2CCc3c(cccc3O)C2)cc1					8.19						
-C#CCCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2	6.5										
-C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523	8.721					
-C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523						
-C#CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	7.97					
-C#CCN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1						8.42					
-C#CCNC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1	7.17										
-C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523						
-C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O					5.523	8.822000000000001					
-C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523	9.05					
-C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O					5.523	7.902					
-C#CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	8.425					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O					5.523	6.672000000000001					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	7.89					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2F)c1=O					5.523	7.071000000000001					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O					5.523	6.973					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O					5.523	6.862					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O					5.523	6.68					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3occc3c2)c1=O					5.523	7.68					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O					5.523	6.66					
-C#CCNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O					5.523	7.35					
-C#CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1						8.742					
-C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1					5.523	8.17					
-C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(C)cc2)cn1					5.523	8.41					
-C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1					5.523	8.521					
-C#CCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(F)cc2)cn1					5.523	8.09					
-C#CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2	6.11										
-C#CCOc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1	7.4										
-C#Cc1c(C#Cc2csc(C)n2)cccn1					6.72						
-C#Cc1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC	6.98										
-C#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1					7.3	7.66					
-C#Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1	8.11										
-C#Cc1cc(C#Cc2csc(C)n2)cnc1					7.72						
-C#Cc1cc(Cl)c(-n2cc(CCCC)nn2)c(Cl)c1	5.039										
-C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O	6.7864										
-C#Cc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O	5.9399999999999995										
-C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)c1CN(C)C2=O	6.140000000000001										
-C#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21	7.47										
-C#Cc1cc2c(cc1)N(C)C(=O)CN=C2c1ccccc1	7.0986										
-C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1	10.21										
-C#Cc1ccc(-n2nncc2CCCC)cc1	5.039										
-C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	7.68										
-C#Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		5.902									
-C#Cc1ccc2[nH]c3c(cc(C(=O)OC(C)(C)C)nc3)c2c1	6.84										
-C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1	6.896666666666667										
-C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(C(=O)OCC)ncn-21	8.09										
-C#Cc1ccc2c(c1)-c1c(cnc(C)n1)Cc1c(Cl)ncn-21	6.88										
-C#Cc1ccc2c(c1)-c1ncnn1Cc1c(C(=O)OCC)ncn-21	9.22										
-C#Cc1ccc2c(c1)-c1nncn1Cc1c(C(=O)OCC)ncn-21	8.64										
-C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn-21	6.891333333333333										
-C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCC)ncn-21	7.878833333333333										
-C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)ncn-21	7.824										
-C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCOCOC(=O)c3c4CN(C)C(=O)c5c(ccc(C#C)c5)-n4cn3)ncn-21	5.421										
-C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21	6.43										
-C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C(C)C)no3)ncn-21	7.0840000000000005										
-C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(C)no3)ncn-21	7.345999999999999										
-C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(-c3nc(CC)no3)ncn-21	6.912000000000001										
-C#Cc1ccc2c(c1)C(=O)N1CCC1c1c(C(=O)OCC)ncn-21	8.081999999999999										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(-c4ccccc4)no3)ncn-21	6.34										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C(C)C)no3)ncn-21	7.204000000000001										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(C)no3)ncn-21	7.077										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(-c3nc(CC)no3)ncn-21	7.396000000000001										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21	6.669										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21	6.848333333333333										
-C#Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC)ncn-21	7.385199999999999										
-C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(-c3cnco3)ncn-21	5.5945										
-C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCC)ncn-21	6.765333333333333										
-C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21	6.440833333333334										
-C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3c4CN=C(c5ccccc5)c5c(ccc(C#C)c5)-n4cn3)ncn-21	5.5605										
-C#Cc1ccc2c(c1)C(c1ccccc1F)=NC(C)c1c(C(=O)NC)ncn-21	6.4875										
-C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(-c3cnco3)ncn-21	6.3294999999999995										
-C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1c(C(=O)OCC)ncn-21	6.1195										
-C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn-21	6.533333333333334										
-C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(C)no3)ncn-21	4.9945										
-C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3nc(CC)no3)ncn-21	5.1095										
-C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)O)ncn-21	5.5145										
-C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(C(=O)OCC)ncn-21	6.567666666666667										
-C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCC)ncn21	7.540000000000001										
-C#Cc1ccc2c(c1)c(=O)n(C)c1c(C(=O)OCCOC(=O)c3c4n(C)c(=O)c5c(ccc(C#C)c5)n4cn3)ncn21	6.489333333333334										
-C#Cc1ccc2c(c1)c1c(cnc(C(=O)OC(C)(C)C)c1)n2C(=O)OC(C)(C)C	5.5625										
-C#Cc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1	10.28										
-C#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1					6.91	5.0					
-C#Cc1nc(C#Cc2cccc(F)c2)cs1					5.537000000000001						
-C#Cc1ncc(C#Cc2csc(C)n2)cc1					5.53						
-C(#CC1CCCCC1)c1ncccc1					6.973						
-C(#Cc1c2COc3c(cccc3)-n2cn1)c1ccccc1	5.919999999999999				6.975						
-C(#Cc1c2COc3c(cccc3)-n2cn1)c1cccnc1	6.349999999999999				6.5						
-C(#Cc1cc2c(cc1)[nH]cc2)CN1CCC(Cc2ccccc2)CC1		4.82									
-C(#Cc1cc2c(nc1)NCCO2)c1ccccc1					7.69						
-C(#Cc1ccc(C(N2CCOCC2)N2CCOCC2)cc1)c1ccccc1					6.011						
-C(#Cc1ccc2[nH]ncc2c1)CCN1CCC(Cc2ccccc2)CC1		5.31									
-C(#Cc1ccc2[nH]ncc2c1)CN1CCC(Cc2ccccc2)CC1		6.42									
-C(#Cc1ccc2[nH]nnc2c1)CCN1CCC(Cc2ccccc2)CC1		6.66									
-C(#Cc1ccc2[nH]nnc2c1)CN1CCC(Cc2ccccc2)CC1		6.38									
-C(#Cc1ccccn1)C1=CCC(Nc2ccc3ccccc3c2)CC1					6.5120000000000005						
-C(#Cc1cnc2NCCc2c1)c1ccccc1					7.8						
-C(#Cc1cncnc1)c1ccccc1					6.31						
-C(#Cc1csc(NCc2ccccc2)n1)c1cccnc1					5.0						
-C(#Cc1cscn1)c1ccccc1					7.01						
-C(#Cc1nc2c(cc1)NCCO2)c1ccccc1					4.6						
-C(#Cc1nc2c(cccc2)cc1)c1ncccc1					6.03						
-C(#Cc1ncccc1)C1=CC(N2CCOCC2)CCC1					6.79						
-C(#Cc1ncccc1)C1=CC(Nc2cnccc2)CCC1					8.07						
-C(#Cc1ncccc1)C1=CC(Oc2ccncc2)CCC1					7.8						
-C(#Cc1ncccc1)C1=CC(Oc2cnccc2)CCC1					8.66						
-C(#Cc1ncccc1)C1=CC(Sc2cc3c(cccc3)cc2)CCC1					6.671						
-C(#Cc1ncccc1)C1=CC(Sc2ccncc2)CCC1					7.66						
-C(#Cc1ncccc1)C1=CCC(NC2CCCC2)CC1					6.01						
-C(#Cc1ncccc1)C1=CCC(Nc2cnccc2)CC1					7.9						
-C(#Cc1ncccc1)C1=CCCC1					8.51						
-C(#Cc1ncccc1)C1=CCCCC1					8.62						
-C(#Cc1ncccc1)C1=CCNCC1					6.24						
-C(#Cc1nccs1)c1ccccc1					7.09						
-C(=Cc1nc(-c2ccccc2)ncc1)c1ccccc1											4.523
-C=C(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		6.3									
-C=C(C)C1CNC(C(=O)O)C1CC(=O)O				3.524	4.47						
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523	7.37					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O					5.523	7.79					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523	7.973					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O					5.523	6.99					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	7.982					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O					5.523	6.71					
-C=C(C)CNc1c2c(ncc1)sc1c2ncn(-c2ccc3OCOc3c2)c1=O					5.523	6.62					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523	7.84					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(C)cc2)c1=O					5.523	7.91					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523						
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(F)cc2)c1=O					5.523	7.97					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)c(F)c2)c1=O					5.523	7.141					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	8.02					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3OCCOc3c2)c1=O					5.523	7.481					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3ncsc3c2)c1=O					5.523	7.77					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3sccc3c2)c1=O					5.523	8.05					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccc3scnc3c2)c1=O					5.523	7.8					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2cccc(Cl)c2)c1=O					5.523	7.28					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccccc2)c1=O					5.523	8.34					
-C=C(C)CNc1c2c(ncn1)sc1c2ncn(-c2ccncc2)c1=O					5.523	6.02					
-C=C(C)CNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1						8.112					
-C=C(C)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12		7.22									
-C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(C(C)OC)c4)C=C3c2ccc1					7.685	5.58					
-C=C(C)c1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1					7.85	6.31					
-C=C(CC(N)C(=O)O)C(=O)O						6.82	6.64				
-C=C(CN1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(OC)cc1		4.1066666666666665									
-C=C(c1ccccc1)c1ccc(N(Cc2cnccc2)S(=O)(=O)CC)cc1							6.11				
-C=C(c1ccccc1)c1cccc(N(Cc2cnccc2)S(=O)(=O)CC)c1							6.7				
-C=C1CC(N)(C(=O)O)C2C1C2C(=O)O			5.8	6.572			8.89			7.81	
-C=C1CC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1.c1ccncc1		5.66									
-C=C1CC2COC(=O)C2(Cc2cc3c(cccc3)cc2)C1						6.8					
-C=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		5.8									
-C=C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O	8.2528										
-C=CC1CN(CCCCc2ccccc2)CCc2c1cc(O)cc2		6.8									
-C=CC1CN(CCCCc2ccccc2)CCc2c1cc(OC)cc2		6.33									
-C=CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					8.62						
-C=CCC1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O	5.42										
-C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523	7.18					
-C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523	8.96					
-C=CCN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523						
-C=CCN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cn1						8.16					
-C=CCN(Cc1cc(CN(CC=C)C(=N)N)ccc1)C(=N)N		4.975									
-C=CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.593333333333334										
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O					5.523	7.9					
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O					5.523	7.96					
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523						
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)c(OC)c2)c1=O					5.523	8.17					
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O					5.523	8.36					
-C=CCNc1c2c(ncc1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.523	8.7					
-C=CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1						7.221					
-C=CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C	5.419999999999999										
-C=CCc1c(O)ccc(-c2ccc(O)c(CC=C)c2)c1	4.62										
-C=CCc1cc(-c2c(O)ccc(CC(C)Br)c2)ccc1OC	5.08										
-C=CCc1cc(-c2c(O)ccc(CC=C)c2)c(O)cc1	4.43										
-C=CCc1cc(-c2c(OC)ccc(CC=C)c2)c(O)cc1	4.26										
-C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)c(NC(C)=O)c1	5.18675										
-C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(O)cc1	4.57										
-C=CCc1cc(-c2cc(CC=C)c(OC)cc2)c(OC)cc1	4.38										
-C=CCc1cc(-c2cc(CC=C)c(OCCC)cc2)c(OC2CC2)cc1	4.66										
-C=CCc1cc(-c2ccc(OC)c(C=CC)c2)c(O)cc1	4.71										
-C=CCc1cc(-c2ccc(OC)c(CC(C)Br)c2)c(O)cc1	4.77										
-C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N(C)C)c1	4.73										
-C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(N)c1	4.91										
-C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NC)c1	5.03										
-C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(NCC)c1	5.11										
-C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1	4.6										
-C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1	4.372										
-C=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1	4.22										
-C=CCc1ccc(OC)c(-c2cc(CC=C)c(O)c(N)c2)c1	4.081										
-C=CCc1ccc(OCC)c(-c2cc(CC=C)c(O)c(N)c2)c1	4.67										
-C=CCc1ccc(OCC)c(-c2ccc(O)c(CC=C)c2)c1	4.84										
-C=CCc1ccc(OCCC)c(-c2ccc(O)c(CC=C)c2)c1	4.83										
-C=CCc1cccc(-c2c(O)c(CC=C)ccc2)c1O	4.45										
-C=Cc1c2CCN3C(=O)CN=C(n4cnc(COC)c4)C=C3c2ccc1					7.41	5.8					
-C=Cc1cc(C#Cc2csc(C)n2)cnc1					8.85						
-C=Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O	8.4075										
-C=Cc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1						6.89					
-C=Cc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-C=Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1					7.38						
-C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OC(C)(C)C)ncn-21	7.63										
-C=Cc1ccc2c(c1)C(=O)N1CCCC1c1c(C(=O)OCC(F)(F)F)ncn-21	7.156666666666666										
-C=Cc1cccc(-n2cnc3c(scc3-c3ccccc3)c2=O)c1						7.13					
-C=Cc1ncc(C#Cc2csc(C)n2)cc1					5.0						
-C=Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	7.8275										
-CC#Cc1cc2c(cc1)-n1cnc(C(=O)OCC)c1CN(C)C2=O	8.0525										
-CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	7.46										
-CC(=CC(N)C(=O)O)CP(=O)(O)O		7.67									
-CC(=CC1CCC(C)C2CCC(C)=C12)C(=O)O	4.72										
-CC(=O)C1CCC2C3CC=C4CC(N=C(N)Nc5c(C)cccc5)CCC4(C)C3CCC12C		5.0									
-CC(=O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C		4.27625									
-CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C	6.966333333333332										
-CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C	6.742000000000001										
-CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5c(O)cccc5)CCC4(C)C3CCC12C	6.47										
-CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(C=O)cc5)CCC4(C)C3CCC12C	7.51										
-CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N(C)C)cc5)CCC4(C)C3CCC12C	7.75										
-CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(N)cc5)CCC4(C)C3CCC12C	6.0										
-CC(=O)C1CCC2C3CCC4CC(O)(C#Cc5ccc(O)cc5)CCC4(C)C3CCC12C	6.0										
-CC(=O)C1CCC2C3CCC4CC(O)(C(F)(F)F)CCC4(C)C3CCC12C	6.41										
-CC(=O)C1CCC2C3CCC4CC(O)(CN(C)C)CCC4(C)C3CCC12C	4.301										
-CC(=O)C1CCC2C3CCC4CC(O)(CN=[N+]=[N-])CCC4(C)C3CCC12C	6.82										
-CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C	5.9015										
-CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)CC12C	6.523										
-CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3(CC12C)N=N3	6.403										
-CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C	7.104333333333333										
-CC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C		4.606									
-CC(=O)CCn1ccc2c1cc(-c1ccc(F)cc1)cn2		7.9									
-CC(=O)N(C)C(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O		5.835428571428571									
-CC(=O)N(c1ccc(Cl)cc1)c1ccnc(-c2ccccn2)n1					5.0						
-CC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2					6.2620000000000005						
-CC(=O)N1CC(Oc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)C1											7.28
-CC(=O)N1CCC(COc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)CC1											8.22
-CC(=O)N1CCC(Oc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1											8.0
-CC(=O)N1CCCc2c1oc(COc1ccccc1)n2					5.87						
-CC(=O)N1CCCc2c1sc(COc1ccccc1)n2					6.05						
-CC(=O)N1CCCc2nc(COc3ccccc3)cn21					6.11						
-CC(=O)N1CCCn2nc(CN(C)C3C4CC3C4)cc12					4.5						
-CC(=O)N1CCCn2nc(CN(C)c3ccccc3)cc12					6.155						
-CC(=O)N1CCCn2nc(CN3CCOc4c3cccc4)cc12					6.14						
-CC(=O)N1CCCn2nc(CN3CCc4c3cccc4)cc12					4.5						
-CC(=O)N1CCCn2nc(COc3c(F)cccc3)cc12					5.625						
-CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12					5.9						
-CC(=O)N1CCCn2nc(COc3cc(F)ccc3)cc12					6.6						
-CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12					5.49						
-CC(=O)N1CCCn2nc(COc3ccccc3)cc12			5.0	5.0	6.44	5.0	5.0		5.0	5.0	5.0
-CC(=O)N1CCCn2nc(COc3ccccc3)nc12					5.47						
-CC(=O)N1CCCn2nc(COc3ccncc3)cc12					4.5						
-CC(=O)N1CCCn2nc(COc3cnccc3)cc12					4.5						
-CC(=O)N1CCCn2nc(CS(=O)(=O)c3ccccc3)cc12					4.5						
-CC(=O)N1CCCn2nc(CSc3ccccc3)cc12					5.41						
-CC(=O)N1CCCn2nc(C[S+]([O-])c3ccccc3)cc12					4.5						
-CC(=O)N1CCN(CCOc2ccc3c(-c4cn(-c5ccccc5)nc4)ccnc3c2)CC1											6.16
-CC(=O)N1CCN(Cc2cn3cc(C)nc(C#Cc4ccccc4)c3c2)CC1					6.5						
-CC(=O)N1CCOc2c1ccc(C#Cc1ccccc1)n2					7.21						
-CC(=O)N1CCOc2c1ccc(OCc1ccccc1)n2					6.125						
-CC(=O)N1CCOc2c1ncc(COc1ccccc1)c2					6.15						
-CC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	7.15										
-CC(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.05						
-CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2	7.74										
-CC(=O)N1c2cc(COc3ccccc3)nn2CCC1C					6.1						
-CC(=O)N1c2cc(COc3ccccc3)nn2CCC1c1ccccc1					5.27						
-CC(=O)NC(=O)c1ccc(COc2cc3c(C(=O)C(C)(C4CCCC4)C3)c(Cl)c2Cl)cc1							6.357				
-CC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1							7.58			7.84	
-CC(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12			5.37	5.497999999999999			5.966			6.4110000000000005	
-CC(=O)NC1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1							6.73				
-CC(=O)NC1N=C(c2ccccc2)c2c(cccc2)NC1=O	5.0										
-CC(=O)NCCCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1						6.0					
-CC(=O)NCCCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1						6.7					
-CC(=O)NCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.4										
-CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.88										
-CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.42										
-CC(=O)Nc1c(C(=O)Nc2cc(Cl)ccc2)cccc1					5.0						
-CC(=O)Nc1c(Oc2ccccc2)ccc(F)c1	5.0										
-CC(=O)Nc1cc(C#Cc2csc(C)n2)ccc1					5.697						
-CC(=O)Nc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							4.523				
-CC(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		7.205									
-CC(=O)Nc1ccc(OCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1			5.456						5.62		5.0
-CC(=O)Nc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							4.523				
-CC(=O)Nc1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.03										
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3c(F)cccc3)c(C)c2)cc1									5.62		
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3cc(F)ccc3)c(C)c2)cc1									5.796		
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1			5.5						5.0		5.0
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3cccc(F)c3)c(C)c2)cc1			5.824								5.481
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3ccccc3F)c(C)c2)cc1			5.5								
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(-c3nc(C)cs3)c(C)c2)cc1			5.0						5.0		5.0
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3CCCO3)c(C)c2)cc1			5.462999999999999						5.319		5.0
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CC3COc4c(cccc4)O3)c(C)c2)cc1			5.943						5.585		5.658
-CC(=O)Nc1ccc(SCC(=O)c2c(C)n(CCc3cccs3)c(C)c2)cc1			5.796						5.699		5.585
-CC(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21	8.54										
-CC(=O)Nc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1					6.1						
-CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1	5.699000000000001										
-CC(=O)Nc1ccccc1OCC1CN(c2ccccc2)C(=O)O1							4.523				
-CC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1		6.42									
-CC(=O)Nc1nc(C#Cc2cnccc2)cs1					5.72						
-CC(=O)Nc1nc2c(CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)s1					6.112						
-CC(=O)OC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		8.09									
-CC(=O)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.38						
-CC(=O)c1c(O)c(Br)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1							6.06				
-CC(=O)c1c(O)c(C(F)(F)F)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1							7.75				
-CC(=O)c1c(O)c(C(F)(F)F)c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)cc1							8.22				
-CC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1							5.471				
-CC(=O)c1c(O)c(C)c(OCc2ccc(Oc3cccc(-c4n[nH]nn4)c3)cc2)cc1							6.53				
-CC(=O)c1c(O)c(C)c(OCc2ccc(Oc3nccc(-c4n[nH]nn4)c3)cc2)cc1							6.7				
-CC(=O)c1c(O)c(Cl)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1							7.41				
-CC(=O)c1c(O)c(Cl)c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)cc1							7.06				
-CC(=O)c1c(O)c(F)c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)cc1							5.97				
-CC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	4.871666666666667										
-CC(=O)c1c2cc[nH]c2c(C(=O)Nc2cccc(C)n2)nc1C					6.27						
-CC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1	5.17										
-CC(=O)c1cc2c(CCCC3=C2NN(c2ccc(Cl)cc2)C(=O)C3)s1	8.38										
-CC(=O)c1ccc(-c2c(C)n(-c3cnccc3)nn2)cc1						6.33					
-CC(=O)c1ccc(C#CC2(O)CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1	8.18										
-CC(=O)c1ccc(C#CC2(O)CCC3C(CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)cc1	8.09										
-CC(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1			4.85								5.11
-CC(=O)c1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1		6.82									
-CC(=O)c1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1		7.24									
-CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C)c3)C=C21					6.39	5.0					
-CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21					7.46	6.18					
-CC(C#N)=C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C	5.97										
-CC(C(=O)c1ccc(NC(=O)CCl)cc1)N1CCC(Cc2ccccc2)CC1		4.1626666666666665									
-CC(C(N)=O)C(N)c1nc2c(ccc(C(C)(C)C)c2)[nH]1	4.523										
-CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1		6.243									
-CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1		7.900285714285714									
-CC(C)(C#N)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2					7.8						
-CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12					6.05						
-CC(C)(C)C(=O)Oc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	5.777666666666666										
-CC(C)(C)C(=O)c1ncc2[nH]c3c(cccc3)c2c1	6.45										
-CC(C)(C)C(O)C=Cc1cc2c(cc1)OCO2	4.34										
-CC(C)(C)C1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					7.57						
-CC(C)(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1							6.79				
-CC(C)(C)C1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					7.77						
-CC(C)(C)C1CSC(c2ccc(C#CC(=O)C=[N+]=[N-])cc2)SC1	6.16										
-CC(C)(C)C1CSC(c2ccc(C#CC(=O)O)cc2)SC1	8.15										
-CC(C)(C)C1CSC(c2ccc(C#CCC(=O)O)cc2)SC1	7.64										
-CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)C=[N+]=[N-])cc2)SC1	6.080000000000001										
-CC(C)(C)C1CSC(c2ccc(C#CCCC(=O)O)cc2)SC1	8.3										
-CC(C)(C)C1CSC(c2ccc(C#CCCCO)cc2)SC1	6.39										
-CC(C)(C)C1CSC(c2ccc(C#CCCO)cc2)SC1	6.400000000000001										
-CC(C)(C)C1CSC(c2ccc(C#CCCP(=O)(O)O)cc2)SC1	8.0										
-CC(C)(C)C1CSC(c2ccc(C#CCO)cc2)SC1	7.12										
-CC(C)(C)CC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1					5.0	6.921					
-CC(C)(C)CC1COCc2nc(OCc3cccc(C#N)c3)cc(=O)n21					8.48						
-CC(C)(C)CC1COCc2nc(OCc3ccccn3)cc(=O)n21					8.21						
-CC(C)(C)COC(=O)c1ncc2[nH]c3c(cccc3)c2c1	6.12										
-CC(C)(C)COc1ncc2[nH]c3c(cccc3)c2c1	7.02										
-CC(C)(C)Cn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2							5.447				
-CC(C)(C)Cn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2Br							5.64				
-CC(C)(C)Cn1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2					7.5						
-CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1		4.93									
-CC(C)(C)N=C(N)Nc1c(I)cccc1		5.018									
-CC(C)(C)NC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1					5.07						
-CC(C)(C)NC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1						7.242000000000001					
-CC(C)(C)OC(=O)N(Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1)C(=O)OC(C)(C)C							6.34				
-CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(OCc3conc3-c3ccc(Cl)cc3)nc2)C1	7.26										
-CC(C)(C)OC(=O)N1CC=C(C#Cc2ncccc2)CC1					8.59						
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3c(F)cccc3)nn2)CC1					6.0						
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1					5.96	7.8					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccc(F)c3)nn2)CC1					5.96	7.747999999999999					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1					6.09	8.01					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1						8.2					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccncc3)nn2)CC1					5.0	6.66					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cnccc3)nn2)CC1					5.081	7.26					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3)nn2)CC1					5.06	7.31					
-CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3F)nn2)CC1					5.37	8.59					
-CC(C)(C)OC(=O)NCc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							6.89				
-CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1	7.163										
-CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1	8.065										
-CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(-c4cccs4)c3)-n2cn1	7.158										
-CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1	7.353333333333333										
-CC(C)(C)OC(=O)c1c2C3CCCN3C(=O)c3c(cccc3Br)-n2cn1	9.11										
-CC(C)(C)OC(=O)c1cc2c(cc1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3ccc(C(=O)OC(C)(C)C)cc34)cc12	6.6701999999999995										
-CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12	5.698333333333333										
-CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3cc4c(cc3)[nH]c3cnc(C(=O)OC(C)(C)C)cc34)cc12	6.645666666666666										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1	7.382										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1	7.231999999999999										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1	6.3100000000000005										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1	7.220000000000001										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(C(C)(C)C)cc3)c2c1	7.391666666666667										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(F)cc3)c2c1	7.55										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cc(I)cc3)c2c1	6.679333333333333										
-CC(C)(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1	7.769166666666667										
-CC(C)(C)OC(=O)c1ncc2c(c1)c1c(ccc(I)c1)n2C(=O)OC(C)(C)C	5.73										
-CC(C)(C)c1c(NC(=N)Nc2c(C(C)(C)C)cccc2)cccc1		4.42									
-CC(C)(C)c1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1					7.08						
-CC(C)(C)c1c2c(CCC(F)(F)F)c(C#N)c(-c3ccccc3)nc2n[nH]1					7.29						
-CC(C)(C)c1cc(O)cc(C(C)(C)C)c1	3.65										
-CC(C)(C)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							6.46				
-CC(C)(C)c1ccc(-c2c(C#N)c3ncc(CC(F)(F)F)n3cc2)cc1							6.35				
-CC(C)(C)c1ccc(-c2c(C3CCNCC3)onc2O)cc1	6.59										
-CC(C)(C)c1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1		6.19									
-CC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-CC(C)(C)c1ccc(C=NN=C(N)N)cc1		4.64									
-CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		6.141									
-CC(C)(C)c1ccc(OCC2CN(c3cccc(C#N)c3)C(=O)O2)cc1							6.2				
-CC(C)(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							6.62				
-CC(C)(C)c1ccc(OCC2Cn3ccc(=O)nc3O2)cc1							5.87				
-CC(C)(C)c1cccc(Nc2c3ncccc3n[nH]2)c1											5.1
-CC(C)(C)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.41										
-CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1					6.29	5.0					
-CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4c3cccc4)CC2)cc(C(F)(F)F)n1	5.0										
-CC(C)(C)c1nn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)cc1CNC1CC1						5.8					
-CC(C)(C)c1nnc2CC(c3nc(-c4ccc(F)cc4)no3)CCn21					7.282						
-CC(C)(C)c1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							5.91				
-CC(C)(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	6.0										
-CC(C)(C)n1nnc2c1CCC(c1nc(-c3ccc(C#N)cc3)no1)C2					7.1						
-CC(C)(C)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2					8.3						
-CC(C)(C)n1nnc2c1CCC(c1nc(C3CCCCC3)no1)C2					6.7						
-CC(C)(C)n1nnc2c1CCC(c1nc(Cc3ccc(F)cc3)no1)C2					7.7						
-CC(C)(C)n1nnc2c1CCC(c1nc(N3CCOCC3)no1)C2					5.9						
-CC(C)(C)n1nnc2c1CCC(c1nnc(-c3ccc(F)cc3)o1)C2					5.5						
-CC(C)(C)n1nnc2c1CCC(c1noc(-c3ccc(F)cc3)n1)C2					8.3						
-CC(C)(C)n1nnc2c1CCC(n1cnc(-c3ccc(F)cc3)n1)C2					7.3						
-CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.64										
-CC(C)(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.4										
-CC(C)(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(Cl)cc1							8.26				
-CC(C)(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(F)cc1							7.96				
-CC(C)(N)CCP(=O)(O)O							3.35				4.06
-CC(C)(NC(=O)c1ccc(C#Cc2ccnc(Cl)c2)cn1)C(F)(F)F					7.335						
-CC(C)(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	5.0										
-CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2)o1	6.16										
-CC(C)(O)C(=O)c1c(NC(=O)CO)c2c(nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2)o1	6.16										
-CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1					5.255						
-CC(C)(O)c1c(F)c2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1	9.594999999999999										
-CC(C)(O)c1cc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1	8.325										
-CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2cccnc2Cl)c1	7.42										
-CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2C#N)c1	7.58										
-CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2F)c1	8.12										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cc4C#N)c(F)cc3)n2nc1	9.41										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2cc1	8.709999999999999										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cc(F)cn4)c(F)cc3)n2nc1	8.6375										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccc4C#N)c(F)cc3)n2nc1	8.885										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2cc1	9.13										
-CC(C)(O)c1nc2ncc(-c3cc(-c4c(F)cccn4)c(F)cc3)n2nc1	8.656666666666666										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2cc1	8.985										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cc4C#N)c(F)cc3)n2nc1	8.8										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2cc1	8.963333333333333										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccc(F)cn4)c(F)cc3)n2nc1	8.7375										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccccc4C#N)c(F)cc3)n2cc1	9.24										
-CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2cc1	8.77875										
-CC(C)(O)c1nc2ncc(-c3cc(-c4cccnc4)c(F)cc3)n2nc1	9.06										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2cc1	9.11										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4)c(F)cc3)n2nc1	9.219999999999999										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2cc1	9.540000000000001										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ccncc4C#N)c(F)cc3)n2nc1	9.0975										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2cc1	8.82										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ncccc4C#N)c(F)cc3)n2nc1	8.2525										
-CC(C)(O)c1nc2ncc(-c3cc(-c4ncncc4C#N)c(F)cc3)n2nc1	8.825										
-CC(C)(c1ccc(C(N)=O)cn1)C(O)OCc1conc1-c1ccc(F)cn1	7.35										
-CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12					5.77						
-CC(C)C(=O)Nc1c(Cl)cc(NC(=O)c2ncccc2)cc1											5.37
-CC(C)C(=O)c1c(O)c(C(F)(F)F)c(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)cc1							7.023				
-CC(C)C(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1	7.26										
-CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C		6.851666666666667									
-CC(C)C12CC3CC(CC(N)(C3)C1)C2		5.14									
-CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1	5.06										
-CC(C)C1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12		5.96									
-CC(C)C1CCC(Nc2c3ncccc3n[nH]2)CC1											5.28
-CC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		6.77									
-CC(C)C1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1							6.94				
-CC(C)C1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cc(CSc3ccncc3)ccc1)c2							6.08				
-CC(C)C1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							6.71				
-CC(C)C1N=C(c2ccccc2)c2c(ccc(Cl)c2)N=C1S	4.62										
-CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2c(F)c(F)ccc2)cc1							6.252000000000001				
-CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1							7.031000000000001				
-CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2ccccc2)cc1							5.822				
-CC(C)CC(=O)c1c(O)c(Br)c(OCCCCOc2cnccc2)cc1							6.24				
-CC(C)CC(=O)c1c(O)c(Br)c(OCCCCSc2ccncc2)cc1							6.17				
-CC(C)CC(N)(C(=O)O)C1CC1C(=O)O							5.8			5.75	
-CC(C)CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			6.42		4.0	4.0			5.58		5.06
-CC(C)CC1CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1											7.29
-CC(C)CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1							7.62				
-CC(C)CC1COCCN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1							7.14				
-CC(C)CC1COCc2nc(OCc3cccc(C#N)c3)cc(=O)n21					8.82						
-CC(C)CC1COCc2nc(OCc3ccccn3)cc(=O)n21					7.82						
-CC(C)CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.0						
-CC(C)CCNC(=O)c1cnc(C#Cc2ccccc2)cc1					6.291						
-CC(C)CCOc1ncc2[nH]c3c(cccc3)c2c1	6.054666666666667										
-CC(C)CCn1ccc(-c2cc(Cl)c(NC3CCOCC3)cc2)c(C#N)c1=O							6.76				
-CC(C)CCn1ccc(-c2cc(Cl)c(OC3CCCC3)cc2)c(C#N)c1=O							7.0				
-CC(C)CCn1ccc(-c2cc(Cl)c(OC3CCOCC3)cc2)c(C#N)c1=O							6.73				
-CC(C)CCn1ccc(-c2cc(Cl)c(OCC3CC3)cc2)c(C#N)c1=O							6.96				
-CC(C)CCn1ccc(-c2ccc(N3CCOCC3)cc2)c(C#N)c1=O							5.69				
-CC(C)CCn1ccc(-c2ccc(Nc3ccncc3)cc2)c(C#N)c1=O							5.83				
-CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O							6.54				
-CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O							7.38				
-CC(C)CCn1ccc(-c2ccc(Oc3ccccn3)cc2)c(C#N)c1=O							6.19				
-CC(C)CCn1ccc(-c2ccc(Oc3cccnc3)cc2)c(C#N)c1=O							6.32				
-CC(C)CCn1ccc(-c2ccc(Oc3ccncc3)cc2)c(C#N)c1=O							6.26				
-CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O							5.07				
-CC(C)CCn1ccc(CCc2ccccc2)c(C#N)c1=O							6.44				
-CC(C)CCn1ccc(N(C)Cc2ccccc2)c(C#N)c1=O							4.97				
-CC(C)CCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O							6.99				
-CC(C)CCn1ccc(N2CCCC(c3ccccc3)C2)c(C#N)c1=O							5.48				
-CC(C)CCn1ccc(N2CCCCC2)c(C#N)c1=O							4.5				
-CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O							5.33				
-CC(C)CCn1ccc(N2CCN(c3ccccc3)CC2)c(C#N)c1=O							6.18				
-CC(C)CCn1ccc(N2CCN(c3ccccn3)CC2)c(C#N)c1=O							5.51				
-CC(C)CCn1ccc(N2CCc3c(cccc3)C2)c(C#N)c1=O							6.06				
-CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O							5.53				
-CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N		4.455									
-CC(C)CN1CC(c2nc(-c3cc(Cl)ccc3)no2)CC1=O					6.04						
-CC(C)CN1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.19						
-CC(C)CN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O					7.27						
-CC(C)COc1cc2c(cn1)[nH]c1c2cccc1	6.767										
-CC(C)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.57				
-CC(C)COc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											6.64
-CC(C)Cc1cc(CC(C)C)c(O)cc1	4.05										
-CC(C)Cc1cccc(CC(C)C)c1O	5.15										
-CC(C)Cc1noc(C2CCc3c(C2)nnn3C(C)(C)C)n1					6.0						
-CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O							6.55				
-CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O							6.71				
-CC(C)N(C(=O)C=CC=Cc1cc2c(cc1)OCO2)C(C)C	4.06										
-CC(C)N(C(=O)c1cc(-c2ccc3OCOc3c2)ccc1)C(C)C	4.26										
-CC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1						5.7					
-CC(C)N(C(=O)c1ccccn1)c1cc(Cl)ccc1											5.0
-CC(C)N(C)c1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1					5.0						
-CC(C)N(C)c1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1						7.112					
-CC(C)N(Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1)C(C)C	5.284000000000001										
-CC(C)N1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O		5.98									
-CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21					7.41						
-CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.41						
-CC(C)N1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.11						
-CC(C)N1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.55						
-CC(C)N1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C					7.55						
-CC(C)N1CCc2c(ccc(C#Cc3ccc(Cl)cc3)n2)C1=O					5.105						
-CC(C)N1CCc2c(ccc(C#Cc3cccc(Cl)c3)n2)C1=O					7.827999999999999						
-CC(C)N1CCc2c(ccc(C#Cc3ccccc3)n2)C1=O					6.064						
-CC(C)N1CCc2c(ccc(C#Cc3ccccc3Cl)n2)C1=O					5.425						
-CC(C)N1CCc2c(ccc(C#Cc3ccccn3)n2)C1=O					6.565						
-CC(C)N1CCc2c(ccc(C#Cc3cccnc3)n2)C1=O					4.71						
-CC(C)N1CCc2c(ccc(C#Cc3cccs3)n2)C1=O					6.53						
-CC(C)N1CCc2c(sc(COc3ccccc3)n2)C1=O					5.92						
-CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)=C(O)c1ccccc1Cl	7.47										
-CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1					7.481						
-CC(C)NC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.47										
-CC(C)NC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.38										
-CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.25										
-CC(C)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	8.14										
-CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccc2)nc1	7.67										
-CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1	7.88										
-CC(C)NC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1	8.17										
-CC(C)NC(=O)c1cnc(C#Cc2ccccc2)cc1					6.18						
-CC(C)NCc1c2nc(-c3ccccc3)[nH]c2ccc1F		5.199999999999999									
-CC(C)NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C						5.8					
-CC(C)NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						5.5					
-CC(C)Nc1c(Cl)cc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1							8.213				
-CC(C)Nc1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1					7.64						
-CC(C)Nc1c(F)cc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1							7.912999999999999				
-CC(C)Nc1c(F)cc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)cc1							7.183				
-CC(C)Nc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.4925										
-CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1			5.0			8.291	5.0				
-CC(C)Nc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1					5.158						
-CC(C)Nc1nncc(-c2cc(Br)ccc2)c1	7.98										
-CC(C)OC(=O)N1CC=C(c2cn(-c3cccnc3F)nn2)CC1					5.41	7.41					
-CC(C)OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	6.57										
-CC(C)Oc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.16										
-CC(C)Oc1cc(CN=C(N)N)cc(CN=C(N)N)c1		5.295									
-CC(C)Oc1cc2c(cc1)CC1C3CCCCC23CCN1C		6.87									
-CC(C)Oc1cccc(-c2cc(-c3ccccc3)nnc2)c1	7.8566666666666665										
-CC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.5				
-CC(C)Oc1ncc2[nH]c3c(cccc3)c2c1	6.318833333333333										
-CC(C)Oc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											6.38
-CC(C)Oc1nncc(-c2cc(Br)ccc2)c1	7.413333333333334										
-CC(C)S(=O)(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.96						
-CC(C)S(=O)(=O)N1Cc2c(C1)sc(C#Cc1ccccc1)n2					6.852						
-CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2		6.57									
-CC(C)S(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		7.835									
-CC(C)S(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1	6.53										
-CC(C)Sc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	8.2675										
-CC(C)c1c(NC(=N)Nc2c(C(C)C)cccc2)cccc1		6.56									
-CC(C)c1c(O)c(C(C)C)cc(Br)c1	4.67										
-CC(C)c1c(O)c(C(C)C)cc(C(=O)c2ccccc2)c1	4.69										
-CC(C)c1c(O)c(C(C)C)cc(CCCC2(C)N=N2)c1	5.085										
-CC(C)c1c(O)c(C(C)C)cc(Cl)c1	4.71										
-CC(C)c1c(O)c(C(C)C)cc(I)c1	4.678										
-CC(C)c1c(S(=O)(=O)C(C)c2ccccc2Cl)sc(NC(=O)c2ccccn2)n1											5.43
-CC(C)c1c(S(=O)(=O)C(C)c2ccccc2F)sc(NC(=O)c2ccccn2)n1											5.02
-CC(C)c1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1											6.5
-CC(C)c1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1											5.48
-CC(C)c1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1											5.53
-CC(C)c1c(S(=O)(=O)Cc2ccc(F)cc2F)sc(NC(=O)c2ccccn2)n1											5.51
-CC(C)c1c(S(=O)(=O)Cc2ccccc2Cl)sc(NC(=O)c2ccccn2)n1											5.71
-CC(C)c1c(S(=O)(=O)Cc2ccccc2F)sc(NC(=O)c2ccccn2)n1											5.44
-CC(C)c1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1					6.62						
-CC(C)c1cc(C(C)C)c(O)c(O)c1	4.05										
-CC(C)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							6.24				
-CC(C)c1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.45	6.39					
-CC(C)c1ccc(C=NN=C(N)N)cc1		5.22									
-CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		8.11									
-CC(C)c1ccc(NC(=N)Nc2ccc(C(C)C)cc2)cc1		4.57									
-CC(C)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							6.442				
-CC(C)c1cccc(C(C)C)c1O	4.815166666666666										
-CC(C)c1cccc(NC(=N)Nc2cc(C(C)C)ccc2)c1		6.3									
-CC(C)c1ccccc1O	4.1										
-CC(C)c1ccccc1OCC1CN(c2ccccc2)C(=O)O1							4.523				
-CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cn(C)nc4)C3=C2)cn1					6.56	5.0					
-CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccn4C)C3=C2)cn1					5.46	5.0					
-CC(C)c1cn(C2=NCC(=O)N3CCc4c(nccc4-c4ccc(F)nc4)C3=C2)cn1					5.57	5.0					
-CC(C)c1csc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1						6.353					
-CC(C)c1n[nH]c(C(=O)N2CCc3c(C2)sc(NC(=O)c2ccc(Cl)cc2)c3C#N)c1						4.91					
-CC(C)c1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)c1						4.37					
-CC(C)c1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1							6.94			6.54	
-CC(C)c1nc(-c2c(NC(=O)C3CC3)snc2-c2cc3cn(C)nc3cc2)ccc1					7.41	6.401					
-CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					7.72	6.191					
-CC(C)c1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1					7.348	5.34					
-CC(C)c1nc(-c2c3CN(C)C(=O)c4c(cccc4Cl)-n3cn2)no1	8.494										
-CC(C)c1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1					6.83						
-CC(C)c1nc2c(CCN(C(=O)c3nn4cc(Cl)cnc4c3)CC2)s1					6.63						
-CC(C)c1nc2c(cccc2)n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.18				
-CC(C)c1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1							5.96				
-CC(C)c1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.51				
-CC(C)c1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	7.390000000000001										
-CC(C)c1noc(C#Cc2ccccc2)c1					6.51						
-CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2c1cccc2	7.640000000000001										
-CC(C)n1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1							7.09				
-CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4-n4cccn4)C3=C2)cn1					7.5	5.47					
-CC(C)n1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1					7.85	7.82					
-CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)c1	7.41										
-CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2F)c1	7.06										
-CC(C)n1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(N)(=O)=O)cc2)c1	8.23										
-CC(C)n1nnc2c1CCC(c1nc(-c3ccc(F)cc3)no1)C2					6.4						
-CC(CC(N)C(=O)O)C(=O)O				5.4		5.0	5.7				3.3280000000000003
-CC(CCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C		6.57									
-CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C		5.0									
-CC(CCCO)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C		5.346666666666667									
-CC(CN1CCC(Cc2ccccc2)CC1)C(O)c1ccc(O)cc1		7.501428571428571									
-CC(CN1CCCC1)N(C)CCc1cc(Cl)c(Cl)cc1		5.5200000000000005									
-CC(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.17										
-CC(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.822999999999999										
-CC(COc1c(C(F)(F)F)c2nnc(CC3CC3)n2cc1)c1ccc(F)cc1							8.0				
-CC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1		8.47									
-CC(Cc1cccnc1)c1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.69				
-CC(N)(C(=O)O)C1CC1C(=O)O							4.08				
-CC(N)(C(=O)O)c1ccc(C(=O)O)cc1						4.835	4.6530000000000005				
-CC(N)(C(=O)O)c1ccc(P(=O)(O)O)cc1				3.319			4.96				
-CC(N)(Cn1c(=O)[nH]oc1=O)C(=O)O						3.301	4.4				
-CC(N)C(=O)NC1(C(=O)O)CCC2C(C(=O)O)C21							5.0			5.0	
-CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1		5.39									
-CC(N)C=CC(=O)O	4.464										
-CC(N)CC(=O)NCC(=O)O		4.55									
-CC(N)CCC(=O)O	4.931										
-CC(N)c1cc(O)no1	5.204										
-CC(NC(=O)c1ccc(OCc2cc(F)ccc2)cc1)C(C)(C)C					6.747999999999999						
-CC(NC(=O)c1ccc(OCc2cc(F)ccc2)nc1)C(C)(C)C			5.0	5.0	7.158	5.0	5.0		5.0	5.0	5.0
-CC(NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1)C(F)(F)F	7.7										
-CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccc(Br)cc1		7.492857142857143									
-CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1cccc2ccccc12		7.312857142857142									
-CC(NC(c1cccc2nc(O)c(O)nc12)P(=O)(O)O)c1ccccc1		7.539714285714285									
-CC(NCCN)C(=O)O		3.951									
-CC(NCc1c2nc(O)c(O)nc2cc(Br)c1)P(=O)(O)O		8.3									
-CC(NCc1c2nc(O)c(O)nc2cc(C#N)c1)P(=O)(O)O		7.12									
-CC(NCc1c2nc(O)c(O)nc2cc(C(F)(F)F)c1)P(=O)(O)O		8.1									
-CC(NCc1c2nc(O)c(O)nc2cc(Cl)c1)P(=O)(O)O		8.22									
-CC(NCc1c2nc(O)c(O)nc2cc(F)c1)P(=O)(O)O		8.05									
-CC(NCc1c2nc(O)c(O)nc2cc(I)c1)P(=O)(O)O		8.1									
-CC(NCc1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		7.5									
-CC(Nc1ccc(C(=O)O)cc1)C(=O)O					3.71	4.24	3.47				
-CC(O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	5.510000000000001										
-CC(O)CN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		7.4									
-CC(O)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.15										
-CC(O)CNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	8.02										
-CC(O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1					8.7	5.82					
-CC(OC(=O)N1CCC(CNc2ncccn2)CC1)c1ccccc1		6.27									
-CC(OC(=O)Nc1ccccc1)c1cn2ncnc2s1					5.0						
-CC(OC(=O)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1)c1ccccc1	6.86										
-CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(Cl)(Cl)Cl	5.603333333333333										
-CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F	6.45875										
-CC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)c1ccccc1	6.165										
-CC(OCc1ccncc1)C(=O)N1CCC(c2c(F)cc(Cl)cc2)CC1					4.602						
-CC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1							7.12				
-CC(Oc1ccccc1)c1nn2CCN(C(=O)c3ccc(F)cc3)Cc2c1					4.52						
-CC(Oc1ccccc1)c1nn2CCN(c3ccc(F)cc3)C(=O)c2c1					5.11						
-CC(Oc1nn2c(-c3ccccc3)nnc2c2c1cccc2)c1ncccc1	6.4125										
-CC(Oc1nnc(-c2cc(=O)n(C)cc2)n1C)c1noc(-c2cc(Cl)ccc2)c1					7.72						
-CC(Oc1nnc(-c2cc(=O)n(C)cc2)n1C)c1noc(-c2cc(Cl)ccc2)n1					7.7						
-CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1nn(-c2cc(Cl)ccc2)nn1					8.05						
-CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)c1					8.0						
-CC(Oc1nnc(-c2ccnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)n1					7.89						
-CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1nn(-c2cc(Cl)ccc2)nn1					8.22						
-CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)c1					8.1						
-CC(Oc1nnc(-c2cnnc(O)c2)n1C)c1noc(-c2cc(Cl)ccc2)n1					7.82						
-CC(c1ccccc1)C1Nc2c(cccc2)C(=O)N1c1cc(F)ccc1											5.0
-CC(c1ccccc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O					5.8						
-CC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1											5.53
-CC(c1ccccc1)n1cncc1C(=O)N=[N+]=[N-]	4.96										
-CC(c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1	4.819										
-CC1(C(=O)N2CC3CN(c4ccccn4)CC3C2)CCCCC1						5.29					
-CC1(C)C2C(=O)N(c3c(Cl)cc(NC(=O)c4ncccc4)cc3)C(=O)C21						6.85					6.361000000000001
-CC1(C)C2CCC1(C)C(N=C(N)Nc1c(I)cccc1)C2		5.0									
-CC1(C)C2CN(C(=O)N3CC4CN(c5ccccn5)CC4C3)CC21						4.925					
-CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C(=O)C1							6.32				
-CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1							7.68				
-CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.57				
-CC1(C)CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1											6.5
-CC1(C)CC(=O)N(c2c(Cl)cc(NC(=O)c3ncccc3)cc2)C1=O											5.852
-CC1(C)CC(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C1					7.82						
-CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1					7.43						
-CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)nn2)C1					7.68						
-CC1(C)CC(=O)N(c2ccc(C#Cc3cccnc3)cn2)C1					7.48						
-CC1(C)CC(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)C1					7.32						
-CC1(C)CC(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)C1					7.66						
-CC1(C)CC(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)C1					7.54						
-CC1(C)CC(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)C1					7.39						
-CC1(C)CC(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)C1					7.04						
-CC1(C)CC(=O)N(c2ncc(C#Cc3cccc(Cl)c3)cn2)C1					7.96						
-CC1(C)CC(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)C1					7.89						
-CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cc2F)C1					7.52						
-CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1					7.89						
-CC1(C)CC(=O)c2c(C1)nc(Nc1ccc(C#N)cc1)nc2					6.31						
-CC1(C)CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2					6.611000000000001						
-CC1(C)CC(=O)c2c(C1)ncc(C#Cc1ccccc1)c2					7.167999999999999						
-CC1(C)CC(=O)c2c(NCCO)sc(-c3n[nH]cc3)c2C1	6.66975										
-CC1(C)CC(=O)c2c(SC(C)(C)C)sc(-c3n[nH]cc3)c2C1	6.58475										
-CC1(C)CC(=O)c2c(SCCCO)sc(-c3n[nH]cc3)c2C1	7.547499999999999										
-CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1	7.5175										
-CC1(C)CC(=O)c2c(SCCO)sc(-c3n[nH]cc3)c2C1	7.8374999999999995										
-CC1(C)CC(=O)c2c(SCCO)sc(-c3ncccc3)c2C1	8.504999999999999										
-CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1	8.022										
-CC1(C)CC(=O)c2c(SSc3nccs3)sc(-c3n[nH]cc3)c2C1	8.065										
-CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3n[nH]cc3)c2C1	8.122499999999999										
-CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3n[nH]cc3)c2C1	8.065										
-CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1	7.8575										
-CC1(C)CC(=O)c2csc(-c3n[nH]cc3)c2C1	6.523										
-CC1(C)CCC(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C1					7.92						
-CC1(C)CCC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1					7.8						
-CC1(C)CCC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1					7.39						
-CC1(C)CCCN(C(=O)c2ncc(C#Cc3ccccc3)cn2)C1					6.9						
-CC1(C)CCCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					7.44						
-CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1					7.5						
-CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1					7.92						
-CC1(C)CCN(c2ccc(C#Cc3ccc(F)c(F)c3)cn2)C(=O)O1					7.43						
-CC1(C)CCN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)C1					7.17						
-CC1(C)CCN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)O1					7.66						
-CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)C1					7.6						
-CC1(C)CCN(c2ccc(C#Cc3cccc(Cl)c3)cn2)C(=O)O1					7.92						
-CC1(C)CCN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)C1					7.72						
-CC1(C)CCN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)O1					7.89						
-CC1(C)CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)C1					7.92						
-CC1(C)CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					8.0						
-CC1(C)CCN(c2ccc(C#Cc3ccccc3)nn2)C(=O)C1					7.72						
-CC1(C)CCN(c2ccc(C#Cc3ccccc3)nn2)C(=O)O1					7.85						
-CC1(C)CCN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1					7.23						
-CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)C1					7.18						
-CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)O1					7.57						
-CC1(C)CCN(c2ccc(C#Cc3cncc(F)c3)cn2)C(=O)O1					7.23						
-CC1(C)CCN(c2cnc(C#Cc3cccc(F)c3)cn2)C(=O)C1					7.54						
-CC1(C)CCN(c2cnc(C#Cc3cccc(F)c3)cn2)C(=O)N1					6.85						
-CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)C1					7.16						
-CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)N1					6.48						
-CC1(C)CCN(c2cnc(C#Cc3ccccc3)cn2)C(=O)O1					7.82						
-CC1(C)CCN(c2cnc(C#Cc3cccnc3)cn2)C(=O)C1					6.17						
-CC1(C)CCN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1					7.51						
-CC1(C)CCN(c2ncc(C#Cc3cccc(F)c3)cn2)C(=O)C1					7.46						
-CC1(C)CCN(c2ncc(C#Cc3ccccc3)cn2)C(=O)C1					7.38						
-CC1(C)CCc2c(C1)c1nn(-c3ccc(Cl)cc3)c(OCc3ccccc3Cl)c1cn2	6.92										
-CC1(C)CCc2c(ccc(C#Cc3ccccc3)n2)C1=O					7.665						
-CC1(C)CCc2c1ccc(OCC1Cn3ccc(=O)nc3O1)c2							6.8				
-CC1(C)CN(C(=O)c2ccc(C#Cc3cccc(F)c3)cn2)CCO1					7.02						
-CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2c1nc(COc1ccccc1)o2					6.765						
-CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21					6.59						
-CC1(C)CN(c2ccc(C#CC=C3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2)C1=O					6.0						
-CC1(C)CN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1					7.96						
-CC1(C)CN(c2ccc(C#Cc3ccc(F)c(F)c3)cn2)C(=O)O1					7.5						
-CC1(C)CN(c2ccc(C#Cc3ccc(F)cc3)cn2)C(=O)O1					7.72						
-CC1(C)CN(c2ccc(C#Cc3ccc(F)nc3)cn2)C(=O)O1					7.27						
-CC1(C)CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)O1					8.05						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)C1O					6.41						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1					7.54						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)N1					6.89						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					8.15						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C1=O					7.44						
-CC1(C)CN(c2ccc(C#Cc3ccccc3)nn2)C(=O)O1					7.82						
-CC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1					7.48						
-CC1(C)CN(c2ccc(C#Cc3cncc(F)c3)cn2)C(=O)O1					7.82						
-CC1(C)CN(c2ccc(C#Cc3cncnc3)cn2)C(=O)O1					7.1						
-CC1(C)CN(c2ncc(C#Cc3ccccc3)cc2F)C(=O)O1					7.52						
-CC1(C)CNC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1					7.16						
-CC1(C)COC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1					7.57						
-CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(C(C)(C)C)cc2)OC1		6.0									
-CC1(C)COC(CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)(c2ccc(F)cc2)OC1		5.85									
-CC1(C)COCCN1C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1					7.64						
-CC1(C)COCCN1C(=O)c1ccc(C#Cc2cccc(F)c2)cn1					7.14						
-CC1(C)COCCN1C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1					7.17						
-CC1(C)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							6.11				
-CC1(C)NC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.23				
-CC1(C)OC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.6				
-CC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1(C)C					7.32						
-CC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1O					7.33						
-CC1(C)OC1COc1c2ccoc2cc2c1ccc(=O)o2	4.6										
-CC1(C)c2c(CCN1C(=O)c1ccc(F)cc1)nc(COc1ccccc1)o2					6.29						
-CC1(C2CC2)CC(=O)N(c2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)C1											7.05
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(CCc1ccc(-c3n[nH]nn3)cc1)c2							5.938				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCC(=O)Nc1ccc(-c3n[nH]nn3)cc1)c2							6.221				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCCc1n[nH]nn1)c2							6.12				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2							6.65				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCCc1n[nH]nn1)c2							6.23				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCOc1ccc(-c3n[nH]nn3)cc1)c2							6.57				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCCc1n[nH]nn1)c2							5.3				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCCOc1ccc(-c3n[nH]nn3)cc1)c2							6.56				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cc(-c3n[nH]nn3)ccc1)c2							6.431				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							6.651				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(C(=O)NS(C)(=O)=O)cc1)c2							6.29				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(C(=O)O)cc1)c2							6.05				
-CC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cccc(CSc3ccncc3)c1)c2							6.25				
-CC1(O)CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1					6.257999999999999						
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)CN4CCCC4)CCC32)C1	5.715										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1	6.5425										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(F)(F)F)cn4)CCC32)C1	5.890000000000001										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C(N)=O)cn4)CCC32)C1	5.523										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(Cl)cn4)CCC32)C1	5.98										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc([N+](=O)[O-])cn4)CCC32)C1	5.94										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5CCCCc5n4)CCC32)C1	6.837000000000001										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccccc5n4)CCC32)C1	6.4270000000000005										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cccnc5n4)CCC32)C1	6.685										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ccncc5n4)CCC32)C1	7.275000000000001										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5cnccc5n4)CCC32)C1	6.745										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc5ncccc5n4)CCC32)C1	7.34										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccc(C#N)n4)CCC32)C1	6.805										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cccn4)CCC32)C1	6.402										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnc4)CCC32)C1	6.717000000000001										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ccnn4)CCC32)C1	6.247000000000001										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cncn4)CCC32)C1	6.573										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cnnn4)CCC32)C1	6.314										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc(C#N)n4)CCC32)C1	5.523										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4CCCC5)CCC32)C1	6.565										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccc5)CCC32)C1	6.64										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cccn5)CCC32)C1	6.599999999999999										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4ccnc5)CCC32)C1	6.665										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4cncc5)CCC32)C1	7.77										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncc5c4nccc5)CCC32)C1	6.43										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4nccn4)CCC32)C1	6.803										
-CC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4ncnn4)CCC32)C1	6.783										
-CC1(c2ccc(Cl)cc2)CCN(C(=O)COCc2ccncc2)CC1					5.68						
-CC1(c2ccccc2)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.15				
-CC1(c2ccccc2)CC(=O)N(c2c(Cl)cc(NC(=O)c3ncccc3)cc2)C1=O											6.112
-CC1(c2ccccc2)CCCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)C1							8.59				
-CC1(c2ccccc2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							6.2				
-CC1(n2nnc3c2CCC(c2nc(-c4ccc(F)cc4)no2)C3)CCOCC1					8.0						
-CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC(N)=N2	7.862999999999999										
-CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC=C2C=O	6.0										
-CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N	6.374										
-CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C=O	6.11										
-CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2CC#N	5.99										
-CC12CC3CC(C)(C1)CC(CCN)(C3)C2		6.1									
-CC12CC3CC(C)(C1)CC(N)(C3)C2		6.056428571428571									
-CC12CC3CC(C)(C1)CC(N=C(N)Nc1c(I)cccc1)(C3)C2		5.4									
-CC12CC3CC(C)(C1)CC(N=C(N)Nc1ccccc1C=Cc1ccccc1)(C3)C2		5.0									
-CC12CCC(OS(=O)(=O)O)CC1CCC1C2CCC2(C)C1CCC2(F)F.c1ccncc1		5.16									
-CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2I.c1ccncc1		6.22									
-CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1		5.92									
-CC12CCCC1C1CCC3CC(OS(=O)(=O)O)CCC3C1CC2.c1ccncc1		5.27									
-CC12CCCCC1C1CCC3CC(OS(=O)(=O)O)CCC3(C)C1CC2.c1ccncc1		5.96									
-CC12NC(Cc3c1cccc3)c1ccccc12		8.354285714285714									
-CC1=C2c3c(CCN2C(=O)CN=C1n1cnc(C2CC2)c1)c(-c1cc(C)no1)ccc3					6.08	5.0					
-CC1=NC2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccc(F)cc3)CC2O1					7.4						
-CC1=NC2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2O1					7.05						
-CC1=NN=C(c2c(Cl)c3c(cccc3C(F)(F)F)s2)c2c(cc3nc(O)oc3c2)C1	6.6										
-CC1=NN=C(c2cc3c(cc(F)cc3)s2)c2c(cc3nc(O)oc3c2)C1	7.0										
-CC1=NN=C(c2cc3c(cccc3)s2)c2c(cc3nc(O)oc3c2)C1	6.89										
-CC1=NN=C(c2cc3c(cccc3C(F)(F)F)s2)c2c(cc3nc(O)oc3c2)C1	6.41										
-CC1=NN=C(c2cc3c(cccc3F)s2)c2c(cc3nc(O)oc3c2)C1	6.7										
-CC1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C							7.33				
-CC1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12		6.51									
-CC1C(=O)N=C(NC(=O)Nc2cccc(Cl)c2)N1C					6.31						
-CC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			5.91		4.0	4.0			4.64		4.2
-CC1C(C(=O)O)C1C(N)C(=O)O						4.0	8.0				4.0
-CC1C(c2ccc3c(n2)N(C)S(=O)(=O)N3CC2CC2(F)F)C1C(C)(C)O							7.615				
-CC1CC(=O)c2c(C1)c(-c1ncccc1)ccc2Sc1cccs1	8.64										
-CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1c[nH]nn1	7.5775										
-CC1CC(=O)c2c(C1)c(-c1nccs1)ccc2SCc1nn(C)cn1	7.98										
-CC1CC(=O)c2c(C1)nc(Nc1c(Cl)cccc1)nc2					4.0						
-CC1CC(=O)c2c(C1)nc(Nc1cc(Cl)ccc1)nc2					5.21						
-CC1CC(=O)c2c(C1)nc(Nc1cc(F)c(C#N)cc1)nc2					6.8020000000000005						
-CC1CC(=O)c2c(C1)nc(Nc1ccc(C#N)cc1)nc2					7.08						
-CC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2					7.462999999999999						
-CC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)nc1)nc2					7.367000000000001						
-CC1CC(=O)c2c(C1)nc(Nc1ccc(OC(F)F)cc1)nc2					6.902						
-CC1CC(=O)c2c(C1)nc(Nc1ncc(Cl)cc1)nc2					6.141						
-CC1CC(=O)c2c(C1)ncc(C#Cc1ccccc1)c2					7.56						
-CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1					7.77						
-CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1					7.091						
-CC1CC(N)(C(=O)O)C2C(C(=O)O)C12				5.0760000000000005			6.91			6.285	
-CC1CC1C(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					8.03						
-CC1CC1C(=O)Nc1c(-c2cccc(C(F)F)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.091	5.99					
-CC1CC1C(=O)Nc1c(-c2cccc(C3CC3)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.521	6.132000000000001					
-CC1CC1C(=O)Nc1c(-c2cccc(C3CCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.27	6.162000000000001					
-CC1CC1C(=O)Nc1c(-c2cccc(C3CCCC3)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.57	6.05					
-CC1CC1C(=O)Nc1c(-c2cccc(CF)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.3	5.89					
-CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.7	5.02					
-CC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2ccc3[nH]ncc3c2)ns1					7.329	4.9030000000000005					
-CC1CC1C(=O)Nc1c(-c2ccccn2)c(-c2cc3cn(C)nc3cc2)ns1					7.54	6.622000000000001					
-CC1CC2C(C(=O)O)C2C1(N)C(=O)O							5.885			5.925	
-CC1CC=C(c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)CC1							8.15				
-CC1CCC(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1					5.82						
-CC1CCC(C(=O)N2CC(c3nc(-c4cccc(F)c4)no3)C2)CC1					5.66						
-CC1CCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)CC1					6.72						
-CC1CCC(C(=O)c2ccc3nc4CCCCCc4cc3c2)CC1						7.797999999999999					
-CC1CCC(NC(=O)c2ccc(C#Cc3ccccc3)nc2)CC1					5.921						
-CC1CCC(Nc2nc3c(cn2)C(=O)CC(C)C3)CC1					5.949						
-CC1CCC(c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)CC1							7.77				
-CC1CCC(n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)CC1					6.04	7.09					
-CC1CCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)CC1					6.23	6.852					
-CC1CCC2C1CCC1C2CCC2CC(OS(=O)(=O)O)CCC21C.c1ccncc1		6.105									
-CC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		6.285									
-CC1CCCC(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1					6.39						
-CC1CCCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1					7.0						
-CC1CCCC(n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)C1					5.67	6.32					
-CC1CCCCC1C(=O)N1CC(c2nc(-c3cccc(F)c3)no2)C1					6.27						
-CC1CCCCC1n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O					4.0	6.89					
-CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1					6.37						
-CC1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1					5.47						
-CC1CCCN(C(=O)c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)C1					7.021						
-CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)cc2)C1					5.8						
-CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1					6.28						
-CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nn2)C1					6.141						
-CC1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)nc2)C1					5.0						
-CC1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)C1					6.01						
-CC1CCCN(C(=O)c2n[nH]c(Nc3ccc(Cl)cc3)c2)C1					5.0						
-CC1CCCN1C(=O)c1nn(C)c2c1ccc(OCc1ccccn1)n2					8.18						
-CC1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12						4.53					
-CC1CCN(C(=O)C=CC=Cc2cc3c(cc2)OCO3)CC1	4.17										
-CC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1					6.06						
-CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1					6.141						
-CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)nc2)CC1					6.89						
-CC1CCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)CC1					5.64						
-CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1											6.43
-CC1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1					7.25						
-CC1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1					6.36						
-CC1CCN(c2c3cc(F)ccc3ncc2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1					7.17						
-CC1CCN(c2c3ccc(Cl)cc3ncc2S(=O)(=O)c2cc(F)cc(F)c2)CC1					6.71						
-CC1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccccc2)CC1					6.97						
-CC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1c1c(C#N)cccc1						5.61					
-CC1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1c1ccccn1						6.393					
-CC1CN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC(C)O1					6.0						
-CC1CN(C(=O)c2cc(F)cc(C#N)c2)Cc2cc(COc3ccccc3)nn21					6.16						
-CC1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21					6.567						
-CC1CN(C(=O)c2cccc(C#N)c2)Cc2cc(COc3ccccc3)nn21					6.25						
-CC1CN(C(=O)c2cccc(F)c2)Cc2cc(COc3ccccc3)nn21					6.86						
-CC1CN(Cc2ccc(-c3c(CN(C)C)cccc3)cc2)C(=O)O1							5.2				
-CC1CN(Cc2ccc(-c3c(Cl)cccc3)cc2)C(=O)O1							7.55				
-CC1CN(Cc2ccc(-c3c(F)cccc3)cc2)C(=O)O1							7.46				
-CC1CN(Cc2ccc(-c3ccc(CN(C)C)cc3)cc2)C(=O)O1							5.51				
-CC1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O1							7.12				
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-CC1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1							7.08				
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-CC1CN(Cc2ccc(-c3cccc(Cl)c3)cc2)C(=O)O1							6.8				
-CC1CN(Cc2ccc(-c3cccc(F)c3)cc2)C(=O)O1							6.55				
-CC1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)O1							6.85				
-CC1CN(Cc2ccc(-c3ccncc3)cc2)C(=O)O1							5.32				
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-CC1CN(Cc2ccc(-c3cncnc3)cc2)C(=O)O1							5.36				
-CC1CN(Cc2ccc(C(C)N3CCCCC3)cc2)C(=O)O1							5.0				
-CC1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1							5.0				
-CC1CN(Cc2ccc(OC(C)C3CCCCC3)cc2)C(=O)O1							8.02				
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-CC1CN(Cc2ccc3c(-c4c[nH]nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							6.58				
-CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)N1							7.638				
-CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC(C)O1							7.26				
-CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1							6.93				
-CC1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCO1							7.38				
-CC1CN(Cc2ccc3c(-c4cn(C(F)F)nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							7.89				
-CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							7.825				
-CC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1							6.69				
-CC1CN(Cc2ccc3c(-c4cnc(C(F)F)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							7.28				
-CC1CN(Cc2ccc3c(-c4cnc(CF)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							7.85				
-CC1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)CC(C(F)(F)F)O1							6.85				
-CC1CN(Cc2cnc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1							6.22				
-CC1CN(Cc2cnc(-c3ccc(F)c(F)c3)cc2)C(=O)O1							5.47				
-CC1CN(Cc2cnc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1							6.42				
-CC1CN(Cc2cnc(OC(C)C3CCCCC3)cc2)C(=O)O1							7.06				
-CC1CN(Cc2nc3c(cccn3)n2C)CCC1c1c(F)cc(OC(F)(F)F)cc1							7.51				
-CC1CN(Cc2nc3c(cccn3)n2C)CCC1c1ccc(C(F)(F)F)cc1F							8.521				
-CC1CN(Cc2ncc(-c3ccc(F)c(F)c3)cc2)C(=O)O1							5.75				
-CC1CN(c2c(C#N)cccc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.58					
-CC1CN(c2c(C#N)cccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.46					
-CC1CN(c2c(C#N)ccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						5.855					
-CC1CN(c2c(C#N)cncc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.4					
-CC1CN(c2c(C#N)nccc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						7.007000000000001					
-CC1CN(c2c(F)cccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.15					
-CC1CN(c2cc(Cl)c(C(F)(F)F)cc2)C(=O)c2c(-c3cc(C#N)ncc3)cnn21							8.16				
-CC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1					7.06						
-CC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C					7.38						
-CC1CN(c2ccc(F)cn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.38					
-CC1CN(c2cccc(F)n2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.59					
-CC1CN(c2ccccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.205					
-CC1CN(c2ccccn2)CCN1C(=O)C1CC2CCCC(C2)C1						6.78					
-CC1CN(c2ccccn2)CCN1C(=O)C1CCC(C(C)(C)C)CC1						5.44					
-CC1CN(c2ccccn2)CCN1C(=O)C1CCCCCCC1						5.18					
-CC1CN(c2cccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.22					
-CC1CN(c2ccncn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						5.88					
-CC1CN(c2cnccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						5.925					
-CC1CN(c2ncc(C#Cc3cc(F)ccc3F)cn2)C(=O)OC1(C)C					7.16						
-CC1CN(c2ncc(C#Cc3ccc(F)cc3)cn2)C(=O)OC1(C)C					6.94						
-CC1CN(c2ncc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C					7.41						
-CC1CN(c2ncc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C					7.42						
-CC1CN(c2ncccn2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2						6.15					
-CC1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							8.003				
-CC1CNc2c(cnc3c2c2c(s3)c(=O)n(-c3ccc(Cl)cc3)cn2)O1						8.788					
-CC1COC(C(F)(F)F)CN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1							8.1				
-CC1COCC(C)N1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1							7.34				
-CC1COCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.24				
-CC1COCCN1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1							6.56				
-CC1COc2c(N1)c1c(nc2)sc2c1ncn(-c1ccc(Cl)cc1)c2=O						7.766					
-CC1Cc2c(CN1C(=O)c1ccc(F)cc1)oc(COc1ccccc1)n2					6.28						
-CC1Cc2c([nH]c3c2cc(F)c(Cl)c3)C2(N1)C(=O)Nc1c2cc(Cl)cc1	5.0	5.0									
-CC1Cn2c(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccnc(CF)c3)c2CCO1							7.53				
-CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cc(F)cc(C#N)c1					6.12						
-CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1					6.395						
-CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(C#N)c1					5.96						
-CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1					6.14						
-CC1N(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C					7.82						
-CC1Oc2c(cc(Nc3c4ncccc4n[nH]3)cc2)N(C)C1=O											5.08
-CC1c2c(CCN1C(=O)c1ccc(F)cc1)nc(COc1ccccc1)o2					6.12						
-CC1c2c(cccc2)C(=O)N1c1c(Cl)cc(NC(=O)c2c(N)cccn2)cc1											6.9
-CC1c2c(cccc2)Oc2c1c(C(N)(C(=O)O)C1CC1C(=O)O)ccc2							7.47				
-CC1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1					5.97						
-CC=C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		6.1									
-CC=CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					8.06						
-CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	6.16										
-CCC(=O)N1CCCn2nc(COc3ccccc3)cc12					6.48						
-CCC(=O)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.973333333333334										
-CCC(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.42						
-CCC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1							6.42				
-CCC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	8.59										
-CCC(=O)c1ccc(-c2c(C)n(-c3cnccc3)nn2)cc1						6.77					
-CCC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CCC4)c3)C=C21					8.3	5.48					
-CCC(C#Cc1nc(C)ccc1)Sc1cc(Cl)ccc1					6.062						
-CCC(C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC	5.0										
-CCC(C)(C)N1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2	5.73										
-CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O		7.357									
-CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		7.05									
-CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(N)=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN)CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(N)=O)NC1=O		4.699									
-CCC(C)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.77				
-CCC(C)NC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2					7.38	4.45					
-CCC(C)NC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N	6.27										
-CCC(C)OC(=O)c1ncc2[nH]c3c(cccc3)c2c1	6.878										
-CCC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.75				
-CCC(C)Oc1ncc2[nH]c3c(cccc3)c2c1	6.310833333333334										
-CCC(CC)CNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.11										
-CCC(CC)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.8				
-CCC(CC)n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O					4.0	6.473					
-CCC(CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.895										
-CCC(F)(F)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1	8.49										
-CCC(N)(C(=O)O)C1CC1C(=O)O							5.19			5.6	
-CCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.81						
-CCC(O)(CO)c1cc(F)cc(OCC#Cc2ccccn2)c1					6.521						
-CCC(O)(CO)c1cc(OCC#Cc2ccccn2)cc(F)c1						5.0					
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(Cl)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.68				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							7.8			5.46	
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F							7.77				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cn4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.44				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)nc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.13				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(C)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							7.17				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							7.8				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F							8.0				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(OC)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							6.69				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							8.0				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1)C(F)(F)F							7.81				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F							8.1				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4C)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.07				
-CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4F)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.44				
-CCC(O)(c1cn(Cc2ccc3c(-c4cccnc4F)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							6.95				
-CCC(O)(c1nn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F							7.62				
-CCC(O)(c1nnnn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1)C(F)(F)F							7.68				
-CCC(OC(=O)c1ncc2[nH]c3c(cccc3)c2c1)C(F)(F)F	5.9398										
-CCC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.52				
-CCC1(Cc2ccccc2)CCCNC1=O	3.312										
-CCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1	5.523										
-CCC1(c2ccccc2)OCC(C2CCCCN2)O1		7.66									
-CCC12CC3CC(CC(N)(C3)C1)C2		6.22									
-CCC12CC3CC(N)(C1)CC(CC)(C3)C2		6.72									
-CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2		5.39									
-CCC1=C(C(=O)OCN(C)C)C(c2c(OC)cccc2)N2C=C(c3c(Cl)cccc3Cl)SC2=N1						4.0	6.0				4.0
-CCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			5.6		4.0	4.0			4.71		4.22
-CCC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2					5.95						
-CCC1CC1C(=O)Nc1c(-c2cccc(N(C)C)n2)c(-c2cc3cn(C)nc3cc2)ns1					7.46	4.9030000000000005					
-CCC1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.c1ccncc1		6.4									
-CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2ccc(Cl)cc2)nc1					7.192						
-CCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1					7.0120000000000005	5.0	5.0		5.0		
-CCC1CCCCN1Cc1c(F)ccc2c1nc(-c1ccccc1)[nH]2		5.15									
-CCC1CCCN(C(=O)c2cc(Cl)c(Nc3cnc(C)cc3)nc2)C1					7.227						
-CCC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1							7.26				
-CCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3cc(C)ncc3)cnn21							7.1				
-CCC1Cn2c(-c3ccc(Cl)c(OC)c3)nc(-c3cc(C)nc(C)c3)c2CCO1							7.94				
-CCC1Cn2c(-c3ccc(Cl)c(OC)c3)nc(-c3ccnc(C)c3)c2CCO1							8.42				
-CCC=CC=COc1ncc2[nH]c3c(cccc3)c2c1	5.754										
-CCCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	5.17										
-CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12	8.3375										
-CCCC(=O)NC(CC1CCCCC1)C(=O)NCCCNCCCCNCCCN		5.36				7.5					
-CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN		5.56				7.64					
-CCCC(=O)c1c(O)c(C)c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)cc1							6.52				
-CCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1	9.92										
-CCCC(=O)c1cc2c(cn1)[nH]c1c2cc(F)cc1	7.118399999999999										
-CCCC(=O)c1ncc2[nH]c3c(cccc3)c2c1	7.6066666666666665										
-CCCC(C)C1(CC)C(=O)NC(=O)NC1=O	4.3										
-CCCC(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.51				
-CCCC(CCC)C(=O)O	4.0										
-CCCC(NC(=O)c1ccccn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.56						
-CCCC(NC(=O)c1cocn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.63						
-CCCC(NC(=O)c1cscn1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.51						
-CCCC(NC(=O)c1nc(C)cs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					8.0						
-CCCC(NC(=O)c1ncco1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.38						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.212999999999999						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(F)nc2)nc1					7.89						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(OC)nc2)nc1					7.88						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cccnc2)nc1					7.15						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cnc(C)nc2)nc1					7.36						
-CCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2cnc(C)s2)nc1					7.22						
-CCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			5.65		4.0	4.0			4.17		
-CCCC1CC(=O)c2c(C1)nc(Nc1ccc(Cl)cc1)nc2					4.0						
-CCCC1CCCCN1C(=O)c1cnc(Nc2cnc(C)cc2)c(Cl)c1					7.425						
-CCCC1CCCN(C(=O)c2cc(Cl)c(Nc3cnc(C)cc3)nc2)C1					6.808						
-CCCC1Cc2c(C1=O)c(C)c(C)c(OCc1cc(CSc3ccncc3)ccc1)c2							6.54				
-CCCC1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							6.55				
-CCCC1Cc2c(C1=O)c(Cl)c(Cl)c(OCc1cccc(CSc3ccncc3)c1)c2							6.73				
-CCCCC(=O)c1c(O)c2c(ccc(CC)c2)nc1	9.42										
-CCCCC(=O)c1c(O)c2c(ccc(CCCc3ccccc3)c2)nc1	8.49										
-CCCCC(=O)c1c(O)c2c(ccc(CCc3ccccc3)c2)nc1	9.28										
-CCCCC(=O)c1c(O)c2c(ccc(Cc3cc4c(cccc4)cc3)c2)nc1	8.57										
-CCCCC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1	9.92										
-CCCCC(=O)c1c(O)c2c(ccc(Cc3ccncc3)c2)nc1	9.41										
-CCCCC(=O)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1	9.92										
-CCCCC(=O)c1c(O)c2c(ccc(Cc3ncccc3)c2)nc1	9.85										
-CCCCC(=O)c1c(O)c2c(cccc2)nc1	9.01										
-CCCCC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	5.8420000000000005										
-CCCCC(=O)c1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1	6.29										
-CCCCC(=O)c1nc2c(CCCC2)c(O)c1	7.96										
-CCCCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.51						
-CCCCC1(C2CCCC2)Cc2c(C1=O)c(Cl)c(Cl)c(OCc1ccc(-c3n[nH]nn3)cc1)c2							5.962000000000001				
-CCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			6.31		4.0	4.24			5.03		5.0
-CCCCC1CCCCN1C(=O)c1cc(Cl)c(Nc2cnc(C)cc2)nc1					7.824						
-CCCCC1CN(c2ccccc2)C(=O)O1							5.89				
-CCCCC=CCc1cc(-c2cc(CC=CCCCC)c(OC)cc2)c(O)cc1	5.7										
-CCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			6.47		4.0	4.75			5.12		5.03
-CCCCCC1CN(c2ccccc2)C(=O)O1							6.101				
-CCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			6.12		4.25	4.26			5.2		4.9
-CCCCCCC1CN(c2c(C(=O)OC)cccc2)C(=O)O1							5.523				
-CCCCCCC1CN(c2c(C)cccc2)C(=O)O1							4.523				
-CCCCCCC1CN(c2c(Cl)cccc2)C(=O)O1							4.523				
-CCCCCCC1CN(c2c(F)cccc2)C(=O)O1							5.15				
-CCCCCCC1CN(c2c(N)cccc2)C(=O)O1							5.523				
-CCCCCCC1CN(c2c(O)cccc2)C(=O)O1							5.523				
-CCCCCCC1CN(c2c(OC)cccc2)C(=O)O1							5.523				
-CCCCCCC1CN(c2c(S(C)(=O)=O)cccc2)C(=O)O1							5.523				
-CCCCCCC1CN(c2cc(C(=O)OC)ccc2)C(=O)O1							5.87				
-CCCCCCC1CN(c2cc(Cl)ccc2)C(=O)O1							6.23				
-CCCCCCC1CN(c2cc(F)ccc2)C(=O)O1							6.192				
-CCCCCCC1CN(c2cc(N)ccc2)C(=O)O1							5.481				
-CCCCCCC1CN(c2cc(O)ccc2)C(=O)O1							5.712000000000001				
-CCCCCCC1CN(c2cc(OC)ccc2)C(=O)O1							6.192				
-CCCCCCC1CN(c2cc(S(C)(=O)=O)ccc2)C(=O)O1							5.57				
-CCCCCCC1CN(c2ccc(C#N)cc2)C(=O)O1							6.12				
-CCCCCCC1CN(c2ccc(C(=O)OC)cc2)C(=O)O1							5.912000000000001				
-CCCCCCC1CN(c2ccc(C)cc2)C(=O)O1							5.42				
-CCCCCCC1CN(c2ccc(Cl)cc2)C(=O)O1							5.351				
-CCCCCCC1CN(c2ccc(F)cc2)C(=O)O1							6.101				
-CCCCCCC1CN(c2ccc(N)cc2)C(=O)O1							5.231				
-CCCCCCC1CN(c2ccc(O)cc2)C(=O)O1							5.11				
-CCCCCCC1CN(c2ccc(OC)cc2)C(=O)O1							5.931				
-CCCCCCC1CN(c2ccc(S(C)(=O)=O)cc2)C(=O)O1							4.523				
-CCCCCCC1CN(c2cccc(C#N)c2)C(=O)O1							6.601				
-CCCCCCC1CN(c2cccc(C)c2)C(=O)O1							6.192				
-CCCCCCC1CN(c2ccccc2)C(=O)O1							5.813				
-CCCCCCC1CN(c2ccccc2C#N)C(=O)O1							5.752000000000001				
-CCCCCCCCC1CN(c2ccccc2)C(=O)O1							5.921				
-CCCCCCCCCC1C(C(=O)O)C1C(N)(CC1c2ccccc2Oc2c1cccc2)C(=O)O			5.29		5.27	5.24			5.11		4.7
-CCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1		5.0									
-CCCCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O			4.42								5.21
-CCCCCCCCOc1cc2c(cc1)n(C)c1c2c(CC)c(C(=O)OCC)nc1	6.0										
-CCCCCCCCOc1ccc2[nH]c3c(c(CC)c(C(=O)OCC)nc3)c2c1	4.8325000000000005										
-CCCCCCNC(=O)NC1=NC(=O)CN1C					5.0						
-CCCCCCNC(c1cccc([N+](=O)[O-])c1)P(=O)(O)CCC(N)C(=O)O			4.64								4.6
-CCCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	5.7										
-CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCCCCn1c(S)nnc1Cc1cc(Cl)ccc1	6.595										
-CCCCCOC(=O)N(C)c1cc(OCc2cc(Cl)ccc2)cc(C)c1					7.481						
-CCCCCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	5.843999999999999										
-CCCCCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1	6.0600000000000005										
-CCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	5.86										
-CCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCCCn1ccc2c1ccc(OCCCCOc1ccc(-c3n[nH]nn3)cc1)c2CCC							6.221				
-CCCCN(CCCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2	4.7749999999999995										
-CCCCN(CCCC)C(=O)c1c(-c2ccc3OCOc3c2)cccc1	4.43										
-CCCCN(CCCC)C(=O)c1c2cc3OCOc3cc2ccc1	4.5										
-CCCCN(Cc1cc(CN(CCCC)C(=N)N)ccc1)C(=N)N		5.29									
-CCCCN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1					6.17						
-CCCCN1CCC(COC(=O)c2c3OCCOc3c(NC)c(Cl)c2)CC1	5.0										
-CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1	5.0										
-CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1	5.0										
-CCCCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.5375										
-CCCCN1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.96						
-CCCCN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O					7.25						
-CCCCN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O					7.02						
-CCCCNC(=N)NCCCC		4.31									
-CCCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N	7.82										
-CCCCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2		5.37									
-CCCCOc1cc2c(cc1)CC1C3CCCCC23CCN1C		6.9									
-CCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1		4.3									
-CCCCOc1cccc(C2(N3CCCCC3)CCCCC2)c1		5.2									
-CCCCOc1ncc2[nH]c3c(cccc3)c2c1	6.764666666666667										
-CCCCP(=O)(O)CCCN	3.294										
-CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	7.49										
-CCCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.1175										
-CCCCc1c(C(=O)O)cnc(N)c1	4.625										
-CCCCc1c(CC(N)C(=O)O)onc1O					4.01	3.959					
-CCCCc1ccc(C=NN=C(N)N)cc1		4.37									
-CCCCc1cn(-c2c(Cl)cc(Br)cc2Cl)nn1	5.039										
-CCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.0										
-CCCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1	5.039										
-CCCCc1cn(-c2c(Cl)cccc2Cl)nn1	5.039										
-CCCCc1cn(-c2ccc(Br)cc2)nn1	5.039										
-CCCCc1cnnn1-c1c(Cl)cc(Br)cc1Cl	5.039										
-CCCCc1cnnn1-c1c(Cl)cc(Cl)cc1Cl	5.039										
-CCCCc1cnnn1-c1c(Cl)cccc1Cl	5.039										
-CCCCc1cnnn1-c1ccc(Br)cc1	5.039										
-CCCCc1cnnn1-c1ccc(C(F)(F)F)cc1	5.039										
-CCCCc1nc(N)ccc1C(=O)O	5.15										
-CCCCc1nc2c(sc3c2c(N(C)C)ccn3)c(=O)n1-c1ccc(CC)cc1					6.04	7.0					
-CCCCc1ncc2[nH]c3c(cccc3)c2c1	6.64										
-CCCCc1nn2c(=O)cc(CN(CC)c3ccccc3)nc2s1		5.03									
-CCCCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12							7.62				
-CCCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cccc2					6.442						
-CCCCn1c(S)nnc1Cc1cc(Cl)ccc1	6.675										
-CCCCn1ccc(-c2c(F)cc(Oc3cc(C)ncc3)cc2)c(C#N)c1=O							6.41				
-CCCCn1ccc(-c2cc(Cl)c(Oc3c(C)nc(C)cc3)cc2)c(C#N)c1=O							7.521				
-CCCCn1ccc(-c2cc(Cl)c(Oc3c(C)nccc3)cc2)c(C#N)c1=O							7.0				
-CCCCn1ccc(-c2cc(Cl)c(Oc3cc(C)ncc3)cc2)c(C#N)c1=O							6.78				
-CCCCn1ccc(-c2cc(F)c(Oc3cc(C)nc(C)c3)cc2)c(C#N)c1=O							6.43				
-CCCCn1ccc(-c2cc(F)c(Oc3ccnc(C)c3)cc2)c(C#N)c1=O							6.5				
-CCCCn1ccc(-c2ccc(Oc3c(C)nc(C)cc3)cc2)c(C#N)c1=O							6.86				
-CCCCn1ccc(-c2ccc(Oc3c(C)nccc3)cc2)c(C#N)c1=O							6.46				
-CCCCn1ccc(-c2ccc(Oc3cc(C)ncc3)cc2)c(C#N)c1=O							6.4				
-CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2Cl)c(C#N)c1=O							6.03				
-CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O							7.02				
-CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O							6.457999999999999				
-CCCCn1ccc(N2CCN(c3nc(C)cc(C)n3)CC2)c(C#N)c1=O							6.2				
-CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1						7.091					
-CCCN(CCC)C(=O)C=CC=Cc1cc2c(cc1)OCO2	4.465										
-CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12	6.89										
-CCCN(CCC)C(=O)c1c2cc3OCOc3cc2ccc1	3.991										
-CCCN(CCC)C(=O)c1ccc(-c2ccc3OCOc3c2)cc1	4.15										
-CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1					6.5						
-CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCCCN(C)CCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1					6.122999999999999						
-CCCN(CCc1ccc(NC(=O)CCc2cn(CCCCCCNC(=O)COc3cc(C#Cc4csc(C)n4)cnc3)nn2)cc1)C1CCc2c(cccc2O)C1					5.8						
-CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1		6.88									
-CCCN(Cc1cc(CN(CCC)C(=N)N)cc(O)c1)C(=N)N		4.463									
-CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N		4.475									
-CCCN(Cc1cc(CN(CCC)C(=N)N)ccc1)C(=N)N		5.58									
-CCCN(Cc1cc(Cl)c(Nc2ccc(C)nc2)nc1)C(=O)c1nccs1					6.23						
-CCCN(Cc1nc(CN(CCC)C(=N)N)ccc1)C(=N)N		4.54									
-CCCN1CCCC2Cc3c(cn[nH]3)CC21					8.72						
-CCCN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O					6.8						
-CCCN1Cc2c(C1=O)c(N)c1cccc(CC(C)(C)C)c1n2	8.0										
-CCCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O					5.55	8.44					
-CCCNC(=O)C(C=Nc1ccc(OCC)cc1)=C(O)c1ccc(Cl)cc1	7.0										
-CCCNC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.02
-CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)c(F)cc2	8.22										
-CCCNC(=O)c1c(N)c2c(nn1)c(-c1ncccn1)ccc2	6.3566666666666665										
-CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N	8.07										
-CCCNC(=O)c1nnc2c(-c3c(OC)cc(OC)cc3)c(F)ccc2c1N	9.39										
-CCCNC(=O)c1nnc2c(-c3c(OC)ccc(C)c3)cccc2c1N	8.21										
-CCCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N	7.9125										
-CCCNC(=O)c1nnc2c(-c3c(OC)cccc3F)cccc2c1N	8.58625										
-CCCNC(=O)c1nnc2c(-c3c(OC)ccnc3)cccc2c1N	8.65										
-CCCNC(=O)c1nnc2c(-c3c(OC)nc(OC)nc3)cccc2c1N	8.13										
-CCCNC(=O)c1nnc2c(-c3cc(C(=O)N4CCC4)cnc3)cccc2c1N	6.695										
-CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N	8.05										
-CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N	8.26										
-CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N	8.79										
-CCCNC(=O)c1nnc2c(-c3ccc(C)cc3C)cccc2c1N	8.49										
-CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N	8.14										
-CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N	8.18										
-CCCNC(=O)c1nnc2c(-c3ccccc3C)cccc2c1N	8.71										
-CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N	9.0										
-CCCNC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		7.035285714285714									
-CCCNCc1c2nc(-c3ccccc3)[nH]c2ccc1O		5.85									
-CCCNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O						7.26					
-CCCNc1ncnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cn1						7.72					
-CCCOC(=O)c1c(C)c(C(=O)OC(C)C(C)(C)C)c[nH]1						8.4					
-CCCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C	5.68										
-CCCOC(=O)c1c(N)sc(-c2ccccc2)c1C				5.62							
-CCCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1	5.77										
-CCCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1F							7.22				
-CCCOc1cc2c(cc1)n(C)c1c2c(COC)c(C(=O)OCC)nc1	6.63										
-CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)NN)nc3)c2c1	6.7226										
-CCCOc1ccc2[nH]c3c(c(COC)c(C(=O)OCC)nc3)c2c1	8.276										
-CCCOc1ccc2[nH]c3c(c(COC)c(N)nc3)c2c1	6.55										
-CCCOc1ccc2[nH]c3c(c(COC)c(OCCC)nc3)c2c1	6.8325000000000005										
-CCCOc1cccnc1Nc1nc(C)ccc1					5.8						
-CCCOc1ncc2[nH]c3c(cccc3)c2c1	7.38										
-CCCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		7.7									
-CCCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.734999999999999										
-CCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCC)c2		5.8500000000000005									
-CCCc1c(C#N)c(-c2ccccc2)nc2c1c(-c1ccccc1)n[nH]2					7.28						
-CCCc1c(C)n(-c2c(Br)cc(C(F)(F)F)cc2Br)nn1	5.039										
-CCCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.49										
-CCCc1c(C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						8.221					
-CCCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCc1c(C2CCNCC2)snc1O	6.64										
-CCCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	5.039										
-CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCc1c(CCC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	5.039										
-CCCc1c(CCl)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.58										
-CCCc1c(CCl)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCc1c(CO)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.41										
-CCCc1c(CO)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.459				
-CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(C(=O)NS(C)(=O)=O)cc1							5.982				
-CCCc1c(OC(C)CCC(C)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							6.62				
-CCCc1c(OC(C)CCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							6.04				
-CCCc1c(OCCCC(=O)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							5.122000000000001				
-CCCc1c(OCCCC(C)Oc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							6.3				
-CCCc1c(OCCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							5.48				
-CCCc1c(OCCCCN(C)c2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							5.7				
-CCCc1c(OCCCCNc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							6.03				
-CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(=O)CC(C)C)c1O							6.377999999999999				
-CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc2c1ccn2CCC							6.19				
-CCCc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc2c1cnn2CC(C)(C)C							6.007999999999999				
-CCCc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O							5.74				
-CCCc1c(OCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							5.849				
-CCCc1c(OCc2ccc(Oc3ccc(-c4n[nH]nn4)cn3)cc2)ccc(C(C)=O)c1O							6.17				
-CCCc1c(OCc2ccc(Oc3ccc(C(=O)O)cn3)cc2)ccc(C(C)=O)c1O							5.84				
-CCCc1c(OCc2ccc(Oc3cccc(-c4n[nH]nn4)c3)nc2)ccc(C(C)=O)c1O							6.25				
-CCCc1c(OCc2ccc(Oc3nccc(-c4n[nH]nn4)c3)cc2)ccc(C(C)=O)c1O							6.33				
-CCCc1c(OCc2ccc(Oc3ncccc3-c3n[nH]nn3)cc2)ccc(C(C)=O)c1O							6.51				
-CCCc1c(OCc2cccc(Oc3ccc(-c4n[nH]nn4)cn3)c2)ccc(C(C)=O)c1O							6.5				
-CCCc1c(OCc2cccc(Oc3nccc(-c4n[nH]nn4)c3)c2)ccc(C(C)=O)c1O							6.96				
-CCCc1c(OCc2cccc(Oc3nccc(C(=O)O)c3)c2)ccc(C(C)=O)c1O							6.39				
-CCCc1c(OCc2cccc(Oc3ncccc3-c3n[nH]nn3)c2)ccc(C(C)=O)c1O							6.64				
-CCCc1c2CCN(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							5.931				
-CCCc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	8.8										
-CCCc1c2cc(C)n(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.252000000000001				
-CCCc1c2ccn(C(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							5.95				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCC=CCOc1ccc(-c2n[nH]nn2)cc1							6.11				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCCCOc1ccc(-c2n[nH]nn2)cc1							6.0				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.252000000000001				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCOc1ccc(-c2n[nH]nn2)cc1							5.45				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCOc1ccc(-c2n[nH]nn2)cc1							5.87				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1cc(-c2ccc(-c3n[nH]nn3)cc2)ccc1							6.5				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1cc(Oc2ccc(-c3n[nH]nn3)cc2)ccc1							6.35				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1ccc(Oc2ccc(-c3n[nH]nn3)cc2)cc1							6.06				
-CCCc1c2ccn(CC(C)(C)C)c2ccc1Oc1cc(-c2n[nH]nn2)ccc1							6.872000000000001				
-CCCc1c2ccn(CC(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.12				
-CCCc1c2ccn(CC3CC3)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.121				
-CCCc1c2ccn(CC3CCCCC3)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.641				
-CCCc1c2ncn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							5.2				
-CCCc1c2nnn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.38				
-CCCc1c2onc(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							6.101				
-CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)c(N)c1	5.225										
-CCCc1cc(-c2ccc(OC)c(CCC)c2)c(O)cc1	4.9										
-CCCc1cc(N)c(O)c(-c2cc(CCC)c(OCC)cc2)c1	4.66										
-CCCc1cc(NC(C)=O)c(O)c(-c2cc(CCC)c(OCC)cc2)c1	5.455										
-CCCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.69	6.747999999999999					
-CCCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(N)c2)c1	4.505										
-CCCc1ccc(OC)c(-c2cc(CCC)c(O)c(NC(C)=O)c2)c1	4.61										
-CCCc1ccc(OCC)c(-c2cc(CCC)c(O)c(N)c2)c1	4.69										
-CCCc1ccc2cc(C(=O)C3CCC(OC)CC3)ccc2n1						8.521					
-CCCc1cccc(NC(=N)Nc2cc(CCC)ccc2)c1		5.68									
-CCCc1cccc2c1CCN1C(=O)CN=C(n3cnc(-c4ncco4)c3)C=C21					8.3						
-CCCc1cccc2c1CCN1C(=O)CNC(n3cnc(C)c3)C=C21					8.0	5.82					
-CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.3975										
-CCCc1cccnc1Nc1nc(C)ccc1					6.407						
-CCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.33										
-CCCc1cnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							6.81				
-CCCc1cnc2c(C#N)c(N3CCN(c4ccccc4)CC3)ccn12							6.01				
-CCCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12							6.19				
-CCCc1cnc2c(C#N)c(N3CCN(c4ncccn4)CC3)ccn12							5.5				
-CCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					7.7	6.39					
-CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cc(F)cc3)-c2n1	8.1										
-CCCc1ncc2Cc3c(C(=O)OCC)ncn3-c3c(cccc3)-c2n1	8.26										
-CCCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							6.522				
-CCCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	7.18										
-CCCn1c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)nc(C)c1C					6.601						
-CCCn1c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)nc2c1cccc2					6.747999999999999						
-CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1c(Cl)ccc2					8.12	5.0	5.0		5.0		
-CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cc(Cl)cc2					6.89						
-CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1ccc(Cl)c2					6.301						
-CCCn1c(-c2cc(Cl)c(Nc3cnc(C)cc3)nc2)nc2c1cccc2Cl					6.7						
-CCCn1c(-c2cnc(Nc3cnc(C)cc3)c(Cl)c2)nc2c1cccc2					7.0						
-CCCn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cccc2							5.6				
-CCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2							6.1				
-CCCn1cc(C)nc1-c1cc(Cl)c(Nc2ccc(Cl)cc2)nc1					6.64						
-CCCn1cc2cc(-c3c(C)n(-c4c(F)nccc4)nn3)ccc2c1O					5.553	8.443999999999999					
-CCCn1ccc2c(c(C#N)cc(-c3cccnc3)c2)c1=O							4.3				
-CCCn1ccc2c(c(Cl)cc(-c3c[nH]nc3)c2)c1=O							5.8				
-CCCn1ccc2c(c(Cl)cc(-c3cc(F)c(OC)nc3)c2)c1=O							6.4				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(N(C)C)nc3)c2)c1=O							5.3				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(N4CCOCC4)nc3)c2)c1=O							6.1				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OC)cc3)c2)c1=O							6.5				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OC)nc3)c2)c1=O							6.1				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OCCc4ccccc4)nc3)c2)c1=O							6.2				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4ccc(C(F)(F)F)nc4)cc3)c2)c1=O							6.6				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4ccc(Cl)nc4)cc3)c2)c1=O							6.4				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4cccnc4)cc3)c2)c1=O							5.9				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(OCc4cccnc4)nc3)c2)c1=O							6.5				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccccc4)cc3)c2)c1=O							5.7				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccccc4)nc3)c2)c1=O							6.3				
-CCCn1ccc2c(c(Cl)cc(-c3ccc(Oc4ccncc4)cc3)c2)c1=O							6.8				
-CCCn1ccc2c(c(Cl)cc(-c3cccnc3)c2)c1=O							6.2				
-CCCn1ccc2c(c(Cl)cc(-c3ccncc3)c2)c1=O							5.9				
-CCCn1ccc2c(c(Cl)cc(-c3cncnc3)c2)c1=O							5.4				
-CCCn1ccc2c(c(Cl)cc(N3CCC(O)CC3)c2)c1=O							5.3				
-CCCn1ccc2c(c(Cl)cc(N3CCNCC3)c2)c1=O							5.0				
-CCCn1ccc2c(c(Cl)cc(N3CCOCC3)c2)c1=O							5.45				
-CCCn1ccc2c(c(Cl)cc(NCc3cnccc3)c2)c1=O							5.5				
-CCCn1ccc2c(c(Cl)cc(OCCCc3cnccc3)c2)c1=O							6.2				
-CCCn1ccc2c(c(Cl)cc(OCCc3cnccc3)c2)c1=O							6.1				
-CCCn1ccc2c(c(Cl)cc(OCc3cnccc3)c2)c1=O							5.6				
-CCCn1ccc2c(ccc(-c3cccnc3)c2)c1=O							5.1				
-CCCn1ccc2c(ccc(N3CCOCC3)c2)c1=O							5.0				
-CCCn1ccc2c(cccc2N(C)CCc2ccc(OC)cc2)c1=O							6.4				
-CCCn1ccc2c(cccc2N(Cl)CCc2ccccc2)c1=O							6.6				
-CCCn1ccc2c(cccc2N(Cl)Cc2cccc(OC)c2)c1=O							6.3				
-CCCn1ccc2c(cccc2N(Cl)Cc2ccccc2)c1=O							4.3				
-CCCn1ccc2c(cccc2NCCCc2ccccc2)c1=O							6.8				
-CCCn1ccc2c(cccc2NCCc2cc(OC)ccc2)c1=O							6.6				
-CCCn1ccc2c(cccc2NCCc2ccc(C)cc2)c1=O							6.7				
-CCCn1ccc2c(cccc2NCCc2ccc(OC)cc2)c1=O							6.6				
-CCCn1ccc2c(cccc2NCCc2ccccc2)c1=O							6.55				
-CCCn1ccc2c(cccc2NCCc2ccccc2OC)c1=O							6.9				
-CCCn1ccc2c(cccc2NCc2ccc(OC)cc2)c1=O							6.3				
-CCCn1ccc2c(cccc2NCc2cccc(OC(F)(F)F)c2)c1=O							6.7				
-CCCn1ccc2c(cccc2NCc2cccc(OC)c2)c1=O							6.5				
-CCCn1ccc2c(cccc2NCc2cccc(Oc3ccccc3)c2)c1=O							5.9				
-CCCn1ccc2c(cccc2NCc2ccccc2)c1=O							5.7				
-CCCn1ccc2c(cccc2NCc2ccccc2Cl)c1=O							6.7				
-CCCn1ccc2c(cccc2OCCc2ccc(OC)cc2)c1=O							6.6				
-CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	7.465										
-CCCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2)c1	6.92										
-CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	9.055										
-CCN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C					7.62						
-CCN(C(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)C					7.38						
-CCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1						7.747999999999999					
-CCN(C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C					7.34						
-CCN(C(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)C					7.03						
-CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1	6.0825										
-CCN(C)C1CCCc2c1cncc2	5.0										
-CCN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.0	8.521					
-CCN(CC)C(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.41
-CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1					6.34						
-CCN(CC)C(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1	5.36										
-CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2					8.11	4.85					
-CCN(CC)C(=O)c1nn(C)c2c1ccc(OCc1ccccn1)n2					8.312000000000001	5.231					
-CCN(CC)C(=O)c1nn(C)c2c1ncc(OCc1ccccn1)n2					7.24	4.301					
-CCN(CC)CCCC1(C)OC=C(c2ccccc2)C1=O		4.0									
-CCN(CC)Cc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	4.8919999999999995										
-CCN(CC)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						6.2					
-CCN(CC)Cc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						5.7					
-CCN(CC)c1c2ccccc2ncc1S(=O)(=O)c1ccc(C)cc1					6.7						
-CCN(Cc1cc(=O)n2c(-c3cnccc3)c(C)sc2n1)c1ccc(F)cc1		6.78									
-CCN(Cc1cc(=O)n2c(-c3cncnc3)c(C)sc2n1)c1ccc(F)cc1		6.86									
-CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1		6.89									
-CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)sc2n1)c1ccc(F)cc1		6.88									
-CCN(Cc1cc(=O)n2c(C(C)(C)O)c(C)sc2n1)c1ccc(F)cc1		7.2									
-CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1		7.06									
-CCN(Cc1cc(=O)n2c(C(C)C)c(C)sc2n1)c1ccc(F)cc1		6.16									
-CCN(Cc1cc(=O)n2c(C(C)O)c(C)sc2n1)c1ccc(F)cc1		6.74									
-CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccc(F)cc1		6.41									
-CCN(Cc1cc(=O)n2c(C3CC3CO)c(C)sc2n1)c1ccc(F)cc1		7.61									
-CCN(Cc1cc(=O)n2c(C3CCC3)c(C)sc2n1)c1ccc(F)cc1		5.58									
-CCN(Cc1cc(=O)n2c(CCCO)c(C)sc2n1)c1ccc(F)cc1		6.74									
-CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1		6.8									
-CCN(Cc1cc(=O)n2c(CO)c(C)sc2n1)c1ccc(F)cc1		6.19									
-CCN(Cc1cc(=O)n2c(N3CCOCC3)c(C)sc2n1)c1ccc(F)cc1		5.66									
-CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1		6.51									
-CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(F)cc1		6.05									
-CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1		5.72									
-CCN(Cc1cc(CN(CC)C(=N)N)ccc1)C(=N)N		4.705									
-CCN(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1					3.3280000000000003						
-CCN(c1cccnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1					5.0						
-CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1					6.92						
-CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1					5.75						
-CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1					6.58						
-CCN1C(=O)CN(Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C1=O		6.0									
-CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21					7.75						
-CCN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.18						
-CCN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)C2CCCCC21					7.16						
-CCN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.33						
-CCN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.51						
-CCN1C(NC(=O)Nc2cccc(Cl)c2)=NC(=O)C1C					6.39						
-CCN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1					6.6						
-CCN1CC(N)(C(=O)O)CC1C(=O)O			3.523		3.523	3.523	3.523				3.523
-CCN1CCC(=O)N=C1NC(=O)Nc1cc(Cl)ccc1					6.601						
-CCN1CCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)CC1	8.03										
-CCN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1	8.3										
-CCN1CCCC1CC(=O)c1ccc(C#Cc2ccc(OC)cc2)cc1										5.0	
-CCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F							7.18				
-CCN1CCOc2c1ncc(COc1ccccc1)c2					7.22						
-CCN1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.03										
-CCN1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2					7.141						
-CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2					5.921						
-CCN1CCc2c(sc(COc3ccccc3)n2)C1=O					6.16						
-CCN1Cc2c(C1=O)c(N)c1ccc(F)c(-c3cc(OC)ccc3OC)c1n2	7.86										
-CCN1Cc2c(C1=O)c(N)c1cccc(-c3cc(OC)ccc3OC)c1n2	7.22										
-CCN1Cc2c(ccc(-c3c(C)n(-c4c(F)nccc4)nn3)c2)C1=O					5.96	8.48					
-CCNC(=O)CCC(CC(N)C(=O)O)C(=O)O											4.0
-CCNC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1	7.86										
-CCNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2	8.085										
-CCNC(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											5.0
-CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		5.6									
-CCNC(=O)c1c(C)sc2nc(C(C)c3c(F)c(C(F)(F)F)ccc3)cc(=O)n12		5.51									
-CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12		6.36									
-CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12		7.03									
-CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12		5.77									
-CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12		5.16									
-CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12		5.07									
-CCNC(=O)c1c(C)sc2nc(Cc3c(Cl)ccc(C#N)c3)cc(=O)n12		4.89									
-CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C#N)ccc3)cc(=O)n12		5.04									
-CCNC(=O)c1c(C)sc2nc(Cc3c(F)c(C(F)(F)F)ccc3)cc(=O)n12		5.92									
-CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3)cc(=O)n12		4.21									
-CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12		4.76									
-CCNC(=O)c1c(C)sc2nc(Cc3cc(C(F)(F)F)ccc3)cc(=O)n12		5.72									
-CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12		4.77									
-CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12		5.31									
-CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12		6.27									
-CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		6.36									
-CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC(C)C)cc(=O)n12		4.24									
-CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12		6.38									
-CCNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.48										
-CCNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.51										
-CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1	9.3										
-CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.54										
-CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1	8.51										
-CCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1	8.96										
-CCNC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1	7.87										
-CCNC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1	7.85										
-CCNC(=O)c1nn(C)c2c1ccc(OCc1cccc(C)n1)n2					7.261	4.301					
-CCNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N	7.53										
-CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N	8.24										
-CCNC12CC3CC(C)(CC(C)(C3)C1)C2		5.76									
-CCNCCC(=O)NCCC(=O)O		4.22									
-CCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C						6.1					
-CCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						6.1					
-CCNCc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						5.6					
-CCNc1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O						8.7					
-CCNc1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O						8.521					
-CCNc1c2c(ncn1)sc1c2ccn(-c2ccc(C)cc2)c1=O						7.822					
-CCNc1c2c(ncn1)sc1c2ccn(-c2ccc(OC)cc2)c1=O						7.47					
-CCNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.0	8.152000000000001					
-CCNc1cc(-c2cc(Br)ccc2)cnn1	8.340000000000002										
-CCNc1cccnc1Nc1cccc(C)n1					5.521						
-CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(C)cc2)cc1						8.112					
-CCNc1ccnc2c1c1c(s2)c(=O)n(-c2ccc(OC)cc2)cc1						7.822					
-CCNc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											6.221
-CCNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1					5.04	8.431000000000001					
-CCNc1nncc(-c2cccc(C#N)c2)c1	7.29										
-CCOC(=O)C(=O)Nc1cc(N2CCc3c(cccc3)C2)nc(C)c1		6.58									
-CCOC(=O)C(=O)Nc1nc(C=Cc2ccccc2)ccn1											5.3
-CCOC(=O)C(C)(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							7.06				
-CCOC(=O)C(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	7.7										
-CCOC(=O)C(C)Oc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							6.64				
-CCOC(=O)C12CC1C(=NO)c1c(cccc1)O2			4.0			5.18	4.0		4.0		4.0
-CCOC(=O)C1=NCN2c3c(cc(CC)cc3)C(=O)N(C)CC12	8.255										
-CCOC(=O)C1CC(C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1	7.141666666666667										
-CCOC(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1	6.156666666666666										
-CCOC(=O)CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	6.34										
-CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2C	6.316666666666666										
-CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c1cccc2OC	6.47										
-CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12	6.22										
-CCOC(=O)CC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1		7.27									
-CCOC(=O)CN1CCCC(NC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1	7.86										
-CCOC(=O)COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							6.19				
-CCOC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2					7.321000000000001						
-CCOC(=O)Nc1ccnc(N2CCc3c(cccc3)C2)c1		5.96									
-CCOC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1						7.0					
-CCOC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1						7.7					
-CCOC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C	5.52										
-CCOC(=O)c1c(COC)c2c(cn1)[nH]c1c2cc(OCc2ccccc2)cc1	8.335										
-CCOC(=O)c1c(Cl)sc(-c2ccccc2)c1C				5.0							
-CCOC(=O)c1c(N)c2c(nc1C)sc1c2CCC2(C1)OCCO2	4.79										
-CCOC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC	7.599999999999999										
-CCOC(=O)c1c(N)sc(-c2c(Cl)cccc2)c1C				5.242000000000001							
-CCOC(=O)c1c(N)sc(-c2ccc(F)cc2)c1C				4.92							
-CCOC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C				5.07							
-CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1ccccc1				5.35							
-CCOC(=O)c1c(N)sc(-c2ccccc2)c1C				6.122999999999999							
-CCOC(=O)c1c(N=C=S)sc(-c2ccccc2)c1C				5.46							
-CCOC(=O)c1c(N=NC#N)sc(-c2ccccc2)c1C				4.68							
-CCOC(=O)c1c(N=NN(C)C)sc(-c2ccccc2)c1C				4.42							
-CCOC(=O)c1c(N=NN2CCOCC2)sc(-c2ccccc2)c1C				4.27							
-CCOC(=O)c1c(O)c2c(ccc(Br)c2)nc1	7.715										
-CCOC(=O)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1	8.855										
-CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1	7.802										
-CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1	7.116										
-CCOC(=O)c1c2C3CCCN3C(=O)c3c(ccc(OC)c3)-n2cn1	7.859399999999999										
-CCOC(=O)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1	7.90325										
-CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(Br)c3)-n2cn1	8.172										
-CCOC(=O)c1c2C3CCN3C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1	7.392										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Br)c3)-n2cn1	7.970000000000001										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#C[Si](C)(C)C)c3)-n2cn1	7.085										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(C#N)c3)-n2cn1	7.8225										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(CC)c3)-n2cn1	7.682										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	7.931666666666666										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(F)c3)-n2cn1	8.721833333333334										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=C=S)c3)-n2cn1	6.33										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(N=[N+]=[N-])c3)-n2cn1	8.546800000000001										
-CCOC(=O)c1c2CN(C)C(=O)c3c(ccc(OCC)c3)-n2cn1	7.885										
-CCOC(=O)c1c2CN(C)C(=O)c3c(cccc3)-n2cn1	8.5006										
-CCOC(=O)c1c2CN=C(c3ccc(C)cc3)c3c(cccc3)-n2cn1	6.51										
-CCOC(=O)c1c2CN=C(c3ccc(F)cc3)c3c(ccc(F)c3)-n2cn1	6.665										
-CCOC(=O)c1c2Cc3c(nc(-c4ccccc4)nc3)-c3c(cccc3)-n2cn1	6.77										
-CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(ccc(F)c3)-n2cn1	7.95										
-CCOC(=O)c1c2Cc3c(nc(C(C)C)nc3)-c3c(cccc3)-n2cn1	8.05										
-CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(Br)c3)-n2cn1	7.9										
-CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(ccc(F)c3)-n2cn1	8.34										
-CCOC(=O)c1c2Cc3c(nc(C)nc3)-c3c(cccc3)-n2cn1	8.42										
-CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(ccc(F)c3)-n2cn1	8.11										
-CCOC(=O)c1c2Cc3c(nc(C4CC4)nc3)-c3c(cccc3)-n2cn1	8.12										
-CCOC(=O)c1c2Cc3c(nc(Cc4ccc(OC)cc4)nc3)-c3c(cccc3)-n2cn1	7.9										
-CCOC(=O)c1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1	7.7										
-CCOC(=O)c1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1	8.43										
-CCOC(=O)c1c2Cn3c(-c4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1	7.27										
-CCOC(=O)c1c2Cn3c(C)nnc3-c3c(ccc(OC)c3)-n2cn1	7.84										
-CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(Br)c3)-n2cn1	7.72										
-CCOC(=O)c1c2Cn3c(Cc4ccccc4)nnc3-c3c(ccc(OC)c3)-n2cn1	7.64										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1	9.22										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(C)c3)-n2cn1	8.68										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(Cl)c3)-n2cn1	8.92										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(F)c3)-n2cn1	8.77										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(O)c3)-n2cn1	9.22										
-CCOC(=O)c1c2Cn3cnnc3-c3c(ccc(OC)c3)-n2cn1	8.85										
-CCOC(=O)c1c2Cn3cnnc3-c3c(cccc3)-n2cn1	9.1										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1	9.52										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C)c3)-n2cn1	9.3										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1	9.22										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	9.7										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1	9.7										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(NC(=O)C(C)C)c3)-n2cn1	8.19										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1	9.1										
-CCOC(=O)c1c2Cn3ncnc3-c3c(ccc(OC)c3)-n2cn1	9.7										
-CCOC(=O)c1c2Cn3ncnc3-c3c(cccc3)-n2cn1	9.7										
-CCOC(=O)c1c2n(C)c(=O)c3c(ccc(C#C[Si](C)(C)C)c3)n2cn1	7.61										
-CCOC(=O)c1cc2c(cn1)[nH]c1c2cc(I)cc1	6.973333333333334										
-CCOC(=O)c1cc2c3ccccc3c(N=O)c-2c[nH]1	5.24										
-CCOC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1C	7.71										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1	6.72										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(C)cc2)n1	6.0										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1	6.22										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(I)cc2)n1	6.35										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(N)cc2)n1	5.37										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(NC(C)=O)cc2)n1	4.72										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(OC)cc2)n1	5.72										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1	5.62										
-CCOC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccccc2)n1	5.75										
-CCOC(=O)c1cn(-c2cc(Cl)c(Cl)cc2)c(-c2ccc(Cl)cc2)n1	5.64										
-CCOC(=O)c1cn(-c2cc(Cl)ccc2)c(-c2ccccc2)n1	5.52										
-CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1	5.82										
-CCOC(=O)c1cn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1	5.51										
-CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(C)cc2)n1	5.39										
-CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(Cl)cc2)n1	5.38										
-CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1	5.04										
-CCOC(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1	5.19										
-CCOC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1					5.77	5.0					
-CCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1							7.4				
-CCOC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1C(F)(F)F							7.33				
-CCOC(=O)c1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1	8.27										
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(C#N)cc3)c2c1					4.8						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(C(F)(F)F)cc3)c2c1					4.8						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(Cl)cc3)c2c1					4.8						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccc(F)cc3)c2c1					6.4						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(C#N)c3)c2c1					8.5						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(C(F)(F)F)c3)c2c1					6.7						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3cccc(Cl)c3)c2c1					7.7						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccccc3)c2c1					8.0						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3ccccc3F)c2c1					6.5						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3cnccc3)c2c1					5.8						
-CCOC(=O)c1cn2cc(C)nc(C#Cc3cscc3)c2c1					8.1						
-CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(F)cccc2)CC1			4.523		4.523	4.523	4.523			4.523	4.523
-CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2c(OC)cccc2)CC1			4.523								4.523
-CCOC(=O)c1cnc2ccc(CC)cc2c1O	8.23										
-CCOC(=O)c1cncn1C(C)c1ccc(C2(C(F)(F)F)N=N2)cc1	4.855										
-CCOC(=O)c1cncn1C(C)c1ccccc1	5.21										
-CCOC(=O)c1ncc2C(=O)c3c(cccc3)-c2c1	4.59										
-CCOC(=O)c1ncc2Cc3c(cccc3)-c2c1	6.169999999999999										
-CCOC(=O)c1ncc2[nH]c3c(c(OC(C)C)ccc3)c2c1C	6.86										
-CCOC(=O)c1ncc2[nH]c3c(cc(C#C[Si](C)(C)C)cc3)c2c1	7.281666666666666										
-CCOC(=O)c1ncc2[nH]c3c(cc(O)cc3)c2c1COC	7.638										
-CCOC(=O)c1ncc2[nH]c3c(cc(OC)c(OC)c3)c2c1CC	8.072										
-CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1CC	8.178										
-CCOC(=O)c1ncc2[nH]c3c(cc(OC)cc3)c2c1COC	8.45										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1CC	6.274										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cc5c(cccc5)cc4)cc3)c2c1COC	6.7075										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1CC	6.274										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4cccc5ccccc45)cc3)c2c1COC	6.7075										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1	6.606										
-CCOC(=O)c1ncc2[nH]c3c(cc(OCc4ccccc4)cc3)c2c1CC	7.2975										
-CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1	7.985500000000001										
-CCOC(=O)c1ncc2[nH]c3c(cccc3)c2c1COC	7.9990000000000006										
-CCOC(=O)c1ncc2nc(O)c3c(cccc3)c2c1	5.62										
-CCOC(=O)c1ncc2oc3c(cccc3)c2c1	5.07										
-CCOC(=O)c1ncc2sc3c(cccc3)c2c1	5.77										
-CCOC(O)=C(C=Nc1ccc(OCC)cc1)C(=O)c1c(Cl)cccc1	6.7										
-CCOCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		7.72									
-CCOCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		6.68									
-CCOCCOCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		6.78									
-CCOCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	7.08										
-CCOCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1	6.6899999999999995										
-CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nc(C)cs4)C3=C2)cn1					6.47	5.0					
-CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1					7.25	5.73					
-CCOCc1nnc2c(C(F)(F)F)c(-c3cc(F)c(Oc4c(C)nc(C)cc4)cc3)ccn12							8.047				
-CCOCc1nnc2c(Cl)c(-c3cc(F)c(Oc4c(C)nc(C)cc4)cc3)ccn12							7.64				
-CCON=C(C)c1ccc2c(c1)ncn2-c1cc(-c2cccnc2)ccc1	8.34425										
-CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC	5.52										
-CCO[n+]1c(Oc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1	6.465										
-CCOc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.35						
-CCOc1c(-c2ccc(CN3CC(C)OC3=O)cc2)cccc1							7.58				
-CCOc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.5						
-CCOc1c(C(F)(F)F)cc2NC(=O)CC(c3cc(-c4cc(C)ncc4)ccc3)=Nc2c1							7.822				
-CCOc1c(C(F)(F)F)cc2NC(=O)CC(c3cccc(-c4ccncc4)c3)=Nc2c1							7.42				
-CCOc1c(CN=C(N)C=Cc2ccccc2)cccc1		9.3									
-CCOc1c(Nc2cccc(C)n2)nccn1					6.3020000000000005						
-CCOc1c(Nc2nc(C(F)(F)F)ccc2)nccc1					5.72						
-CCOc1c(Nc2nc(C)ccc2)nccc1C					5.57						
-CCOc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1			4.85								5.183
-CCOc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2		5.44									
-CCOc1c2Cn3nccc3-c3c(ccc(Cl)c3)-n2cn1	8.85										
-CCOc1c2Cn3nccc3-c3c(cccc3)-n2cn1	9.7										
-CCOc1cc(-c2c(C#N)nccc2)cnc1Nc1nc(C)ccc1					7.1						
-CCOc1cc(-c2c(C)ccnc2)cnc1Nc1nc(C)ccc1					7.35						
-CCOc1cc(-c2cc(Br)ccc2)cnn1	8.01										
-CCOc1cc(-c2cc(F)ccc2)cnc1Nc1nc(C)ccc1					6.9						
-CCOc1cc(-c2ccc(C)cc2)cnc1Nc1nc(C)ccc1					6.29						
-CCOc1cc(-c2ccccc2)cnc1Nc1cccc(C)n1					6.572						
-CCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1					7.431						
-CCOc1cc(-c2cnccc2)cnc1Nc1nc(C)ccc1					7.921						
-CCOc1cc(-c2cncnc2)cnc1Nc1cccc(C)n1					7.442						
-CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C							8.41				
-CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F							8.96				
-CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1CC							8.23				
-CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1CC							7.97				
-CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Cl							7.64				
-CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C							7.78				
-CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F							8.77				
-CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1CC							8.1				
-CCOc1cc(-c2nc(-c3ccnc(C)c3)c3CCOCCn23)ccc1CC							7.68				
-CCOc1cc(-c2ncccc2)cnc1Nc1nc(C)ccc1					6.712000000000001						
-CCOc1cc(-c2nscc2)cnc1Nc1nc(C)ccc1					6.612						
-CCOc1cc(Br)cnc1Nc1nc(C)ccc1					7.33						
-CCOc1cc(C#N)cnc1Nc1nc(C)ccc1					7.34						
-CCOc1cc(C)cnc1Nc1cccc(C)n1					6.922000000000001						
-CCOc1cc(Cl)cnc1Nc1nc(C)ccc1					7.77						
-CCOc1cc(Oc2cnccc2)cnc1Nc1cccc(C)n1					7.747999999999999						
-CCOc1cc2c(cc1)CC1C3CCCCC23CCN1C		6.97									
-CCOc1ccc(-c2ccc(CN3CC(C)OC3=O)cc2)cc1							7.01				
-CCOc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1					6.17						
-CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1C							8.54				
-CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1Cl							8.55				
-CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1C							8.77				
-CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1Cl							8.22				
-CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)cc1Cl							7.32				
-CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1					7.72	7.04					
-CCOc1ccc(-n2c(C)cc(C(=O)CSCc3cc(C)ccc3)c2C)cc1									5.0		
-CCOc1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1			5.5						5.0		5.0
-CCOc1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1			5.5								
-CCOc1ccc(-n2c(C)cc(C(=O)CSc3ccc(OC)cc3)c2C)cc1			5.5								5.0
-CCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.27
-CCOc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											6.539
-CCOc1cccc2c1C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O					6.141						
-CCOc1cccc2c1C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O					6.551						
-CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.84										
-CCOc1cccnc1Nc1ccccn1					6.86						
-CCOc1cccnc1Nc1nc(C(=O)OC)ccc1					5.21						
-CCOc1cccnc1Nc1nc(C)ccc1					7.4						
-CCOc1cccnc1Nc1nc(OC)ccc1					6.252000000000001						
-CCOc1ncc2[nH]c3c(cccc3)c2c1	7.434666666666666										
-CCOc1nncc(-c2cccc(C#N)c2)c1	7.29										
-CCS(=O)(=O)N(CCC(F)(F)F)c1c2nc(O)c(O)nc2cc(Cl)c1Cl		7.41									
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(=O)c2ccccc2)ccc1							5.96				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(C)c2ccccc2)ccc1							7.14				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(F)c2ccccc2)ccc1							6.75				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(C(O)c2ccccc2)ccc1							5.6				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(COc2ccccc2)ccc1							6.8				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(Cc2ccccc2)ccc1							6.51				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(OC(F)(F)F)ccc1							5.8				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(OCc2ccccc2)ccc1							6.36				
-CCS(=O)(=O)N(Cc1cnccc1)c1cc(Oc2ccccc2)ccc1							6.44				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(=O)c2ccccc2)cc1							5.38				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(C)c2ccccc2)cc1							5.85				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(F)c2ccccc2)cc1							4.523				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(C(O)c2ccccc2)cc1							4.523				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(COc2ccccc2)cc1							5.68				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(Cc2ccccc2)cc1							5.8				
-CCS(=O)(=O)N(Cc1cnccc1)c1ccc(Oc2ccccc2)cc1							5.82			4.9030000000000005	
-CCS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		8.6									
-CCS(=O)(=O)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	6.67										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(C#N)c1	7.54										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(Cl)c1	7.84										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(F)c1	7.46										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(OC)c1	7.85										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1	7.62										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3(C)CC3)ccc2F)cc1	7.46										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(C#N)c1	6.77										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(F)c1	7.17										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1	7.51										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)c(F)c1	6.83										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)cc1	7.13										
-CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCCC3)ccc2F)c(OC)c1	6.93										
-CCSc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2		6.19									
-CCSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	8.08										
-CCSc1c2C(=O)CC(C)Cc2c(-c2[n+]([O-])cccc2)cc1	6.80825										
-CCSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1	8.0075										
-CCSc1c2C(=O)CC(C)Cc2c(-c2nccnc2)cc1	8.0625										
-CCSc1c2C(=O)CC(C)Cc2c(-c2ncco2)cc1	7.81										
-CCSc1c2C(=O)CC(C)Cc2c(-c2nccs2)cc1	8.2525										
-CCSc1c2C(=O)CCCc2c(-c2ncccc2)cc1	6.639749999999999										
-CC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CC)c2		5.905									
-CCc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					5.52						
-CCc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.18						
-CCc1c(-c2ccccc2)n(C)nc1C(=O)Nc1nc(C)ccc1					7.57						
-CCc1c(-c2cscc2)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						6.72					
-CCc1c(Br)c(CC)ccc1	4.3										
-CCc1c(C#Cc2cnccc2)nc(C)s1					5.91						
-CCc1c(C(=O)O)cnc(N)c1	5.03										
-CCc1c(C(=O)OC(C)C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						5.2					
-CCc1c(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	5.97										
-CCc1c(C)nc2ccc(C(=O)C3CC4CCC3C4)cc2c1						5.0					
-CCc1c(C)nc2ccc(C(=O)C3CCC(O)CC3)cc2c1						7.1					
-CCc1c(C)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						9.06					
-CCc1c(C)nc2ccc(C(=O)C3COc4c(cccc4)O3)cc2c1						8.152000000000001					
-CCc1c(C)nc2ccc(C(=O)C3Cc4c(cccc4)C3)cc2c1						5.93					
-CCc1c(C)nc2ccc(C(=O)CC3CCC(OC)CC3)cc2c1						7.071000000000001					
-CCc1c(C)nc2ccc(C(=O)CCc3ccccc3)cc2c1						5.0					
-CCc1c(C)nc2ccc(C(=O)Cc3ccccc3)cc2c1						7.291					
-CCc1c(C)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.039										
-CCc1c(CC)cc2nc(O)c(O)nc2c1		5.75									
-CCc1c(CC)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1	6.02										
-CCc1c(CC)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						8.1					
-CCc1c(Cl)c(N(CCCOC)S(C)(=O)=O)c2nc(O)c(O)nc2c1		7.31									
-CCc1c(Cl)cc2nc(O)c(O)nc2c1		5.85									
-CCc1c(Cl)cc2nc(O)c(O)nc2c1N(CCO)S(C)(=O)=O		7.24									
-CCc1c(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn[nH]1		5.43									
-CCc1c(N)ncc(C(=O)O)c1	4.0										
-CCc1c(N=C=O)c(CC)ccc1	4.1										
-CCc1c(N=C=S)c(CC)ccc1	4.15										
-CCc1c(NC(=N)Nc2c(CC)cccc2)cccc1		6.2700000000000005									
-CCc1c(O)nc2ccc(C(=O)C3CCC(OC)CC3)cc2c1						7.071000000000001					
-CCc1c(S(=O)(=O)Cc2c(C)cc(C)cc2C)sc(NC(=O)c2ccccn2)n1											6.45
-CCc1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)sc(NC(=O)c2ccccn2)n1											7.06
-CCc1c(S(=O)(=O)Cc2c(F)cccc2Cl)sc(NC(=O)c2ccccn2)n1											6.85
-CCc1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1											6.82
-CCc1c(S(=O)(=O)Cc2ccc(C)cc2)sc(NC(=O)c2ccccn2)n1											6.35
-CCc1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1											6.03
-CCc1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1											6.66
-CCc1c(S(=O)(=O)Cc2cccc(Cl)c2F)sc(NC(=O)c2ccccn2)n1											6.31
-CCc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2		6.89									
-CCc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.0125										
-CCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	6.068										
-CCc1c2Cn3ncnc3-c3c(cccc3)-n2cn1	9.3										
-CCc1c2c(cnc1C(=O)NN)[nH]c1c2cc(OC)c(OC)c1	6.1706										
-CCc1c2c(cnc1C(=O)OC)[nH]c1c2cc(OC)c(OC)c1	7.965999999999999										
-CCc1c2n(C)c(=O)c3c(ccc(Cl)c3)n2cn1	6.5649999999999995										
-CCc1cc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)ccc1					4.0	8.05					
-CCc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1					6.46	6.03					
-CCc1cc(N)cc(N2CCc3c(cccc3)C2)n1		8.52									
-CCc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							6.442				
-CCc1cc(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)ccn1							7.452999999999999				
-CCc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O	7.816										
-CCc1cc2c(cc1)-n1cnc(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)c1CN(C)C2=O	5.675										
-CCc1cc2c(ccc(C(=NN)C3CCC(OC)CC3)c2)nc1OC						5.361000000000001					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)n2nnnc12						6.348					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1C#N						6.76					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1Cl						8.4					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1F						8.048					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1I						7.21					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1N						9.0					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1NCCOC						6.98					
-CCc1cc2c(ccc(C(=O)C3CCC(OC)CC3)c2)nc1OC						7.365					
-CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Br		7.089999999999999									
-CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1CC		6.8									
-CCc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl		7.54									
-CCc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OC							8.38				
-CCc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OCC1CC1							7.76				
-CCc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OC							8.12				
-CCc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OCC1CC1							7.57				
-CCc1ccc(-n2c(C)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					6.462000000000001	7.36					
-CCc1ccc(-n2c(CC)nc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.3420000000000005	7.08					
-CCc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					6.29	8.09					
-CCc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)cc1						7.46					
-CCc1ccc(-n2cnc3c(oc4c3c(N(C)C)ccn4)c2=O)cc1					4.0	5.84					
-CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccc4)c2=O)cc1					4.0	6.021					
-CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					6.357	8.523	5.0		5.0		5.0
-CCc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1					5.67	6.74					
-CCc1ccc(-n2cnc3c(sc4c3c(N(C)CC)ccn4)c2=O)cc1					5.59	7.431					
-CCc1ccc(-n2cnc3c(sc4c3c(N(C)CCOC)ccn4)c2=O)cc1					4.0	7.15					
-CCc1ccc(-n2cnc3c(sc4c3c(N3CCC3)ccn4)c2=O)cc1					4.0	6.95					
-CCc1ccc(-n2cnc3c(sc4c3c(NC)ccn4)c2=O)cc1					5.223	7.01					
-CCc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1					4.0	7.39					
-CCc1ccc(-n2cnc3c(sc4c3c(NCC#N)ccn4)c2=O)cc1					5.68	7.31					
-CCc1ccc(-n2cnc3c(sc4c3c(NCC(F)(F)F)ccn4)c2=O)cc1					4.0	7.002000000000001					
-CCc1ccc(-n2cnc3c(sc4c3c([N+](C)(C)[O-])ccn4)c2=O)cc1					4.0	6.5120000000000005					
-CCc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		8.431000000000001									
-CCc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-CCc1ccc(NC(=N)Nc2ccc(CC)cc2)cc1		4.99									
-CCc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							6.23				
-CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1											6.61
-CCc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3c4CN(C)C(=O)c5c(ccc(CC)c5)-n4cn3)ncn-21	5.732										
-CCc1ccc2ncc(C(=O)CC3CCCC3)c(O)c2c1	8.29										
-CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1	7.720000000000001										
-CCc1cccc(CC)c1O	4.4										
-CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1		6.935									
-CCc1cccc(Nc2c3ncccc3n[nH]2)c1											5.59
-CCc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21					7.55	6.19					
-CCc1ccccc1-n1cnc2c(sc3c2c(N(C)C)ccn3)c1=O					4.0	6.6					
-CCc1ccccc1OCC1CN(c2ccccc2)C(=O)O1							4.523				
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)cc4)C3=C2)cn1					7.92	5.23					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccco4)C3=C2)cn1					8.05	6.77					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncco4)C3=C2)cn1					7.66	5.92					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)O)C3=C2)cn1					6.3	5.0					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)CCC4)C3=C2)cn1					6.92	5.64					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)COC4)C3=C2)cn1					5.8	5.0					
-CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1					7.28	5.03					
-CCc1cn2CC(COc3ccc(-c4c(C)c(C)ccc4)cc3)Oc2nc1=O							7.89				
-CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)nc1											8.69
-CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)cncc3)cc2)nc1											5.0
-CCc1cnc(Oc2c(Cl)cc(NC(=O)c3c(N)nccn3)cc2)nc1											6.53
-CCc1cnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							6.3				
-CCc1cnc2c(C#N)c(N3CCN(c4nc(C)cc(C)n4)CC3)ccn12							5.64				
-CCc1cnc2c(C#N)c(N3CCN(c4ncccn4)CC3)ccn12							5.5				
-CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					8.0	6.5520000000000005					
-CCc1nc(-c2c(NC(=O)C3CC3C)snc2-c2ccc3[nH]ncc3c2)ccc1					7.442	5.507999999999999					
-CCc1nc(C(=O)OC)cc2c1[nH]c1c2cccc1	5.12										
-CCc1nc(N)ccc1C(=O)O	5.68										
-CCc1nc2c(CC(c3ccc(C)cc3C)CC2=O)o1									7.2		5.0
-CCc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1					7.48						
-CCc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1							7.04				
-CCc1nccc2c1[nH]c1c2cccc1	3.6										
-CCc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											7.42
-CCc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1					7.8	5.0					
-CCc1nn(O)cc1CN	3.301										
-CCc1nn2c(C(F)(F)F)cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F											5.675
-CCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							6.16				
-CCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12							6.94				
-CCc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12							6.412000000000001				
-CCc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	7.1425										
-CCc1noc(-c2nnc3c4c(c(OCc5nc(C)ccc5)nn23)C2CCC4CC2)n1	7.595										
-CCn1c(-c2cnc(Nc3cnc(C)cc3)c(Cl)c2)nc2c1cccc2					6.96						
-CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C			5.0						5.0		5.0
-CCn1c(CN2CCN(c3nc(C(F)(F)F)ccc3Cl)CC2)nc2c1cccc2							7.2				
-CCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2							6.8				
-CCn1c2c(cccc2)c2c1nc(C)c(C(=O)OC)c2N	5.23										
-CCn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1							7.82				
-CCn1cc(O)nc1NC(=O)Nc1cc(Cl)ccc1					6.602						
-CCn1cc2cc(-c3c(C)n(-c4c(F)nccc4)nn3)ccc2c1O						8.481					
-CCn1ccc2c(sc3c2c(OC)ccn3)c1=O						6.0					
-CCn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O	9.473333333333334										
-CCn1ccnc1-c1c[nH]c2c1cc(C)nc2C(=O)Nc1nn(C)cc1					7.27						
-CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.915										
-CCn1cnc2c1nncc2-c1cc(-c2ccc(S(=O)(=O)CC)cc2OC)c(F)cc1	8.7655										
-CCn1cnc2c1nncc2-c1ccc(CO)c(-c2ccc(S(=O)(=O)CC)cc2F)c1	6.17										
-CCn1cnc2c1nncc2-c1ccc(CO)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1	5.76										
-CCn1cnc2c1nncc2-c1ccc(Cl)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1	7.53										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2)c1	7.51										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2C#N)c1	6.97										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2F)c1	7.21										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C(C)C)cc2OC)c1	7.93										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C3CC3)cc2OC)c1	8.01										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)C3CCC3)cc2OC)c1	8.02										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2)c1	7.66										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2C#N)c1	7.41										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2C(F)F)c1	7.45										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)CC)cc2F)c1	7.74										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(=O)(=O)NC)cc2)c1	8.13										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2)c1	7.75										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2F)c1	7.96										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(C)(=O)=O)cc2OC)c1	8.13										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc(S(N)(=O)=O)cc2)c1	8.29										
-CCn1cnc2c1nncc2-c1ccc(F)c(-c2ccc3c(c2)CC(C)S3(=O)=O)c1	7.16										
-CCn1cnc2c1nncc2-c1ccc(O)c(-c2ccc(S(=O)(=O)CC)cc2OC)c1	7.04										
-CCn1cnc2c1nncc2-c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1	7.25										
-CCn1cnc2c1nncc2-c1cccc(-c2ccc3c(c2)CCS3(=O)=O)c1	6.99										
-CCn1nc(-c2cnccc2C)c2c1nc(OCc1ccccn1)cn2					8.152000000000001						
-CCn1nc(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											7.02
-CCn1nc(C2CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2											6.8
-CCn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.68
-CCn1nc(Cl)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											6.09
-CCn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O	8.703333333333333										
-CCn1ncnc1COc1nn2c(-c3c(F)cccc3)nnc2cc1C(C)(C)C	9.60125										
-CN(C(=N)Nc1cc([S+](C)[O-])ccc1Cl)c1cc([S+](C)[O-])ccc1		5.18									
-CN(C(=O)C12CC1C(=NO)c1c(cccc1)O2)c1ccccc1						5.0					
-CN(C(=O)CN)c1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1	6.03										
-CN(C(=O)CN)c1c(C(=O)c2ccccc2)cc(Cl)cc1	8.0										
-CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1	7.585										
-CN(C(=O)c1c(F)cccc1)c1nc(-c2ccncc2)cs1						6.89					
-CN(C(=O)c1cc(Cl)ccc1)C1CCCC(N(C)C(=O)c2cc(Cl)ccc2)C1					5.0						
-CN(C(=O)c1cc(Cl)ccc1)C1CCCC(NC(=O)c2cc(Cl)ccc2)C1					5.0						
-CN(C(=O)c1cc(F)ccc1)c1nc(-c2ccncc2)cs1						7.0					
-CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccncc2)cs1						6.68					
-CN(C(=O)c1ccc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C					7.82						
-CN(C(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)C					7.627000000000001						
-CN(C(=O)c1ccc(C#Cc2ccnc(Cl)c2)cn1)C(C)(C)C					7.55						
-CN(C(=O)c1ccc(C#Cc2cncc(Cl)c2)cn1)C(C)(C)C					7.575						
-CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1						7.21					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(N)ncn2)cs1					5.0	8.62					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1						5.0					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1						8.221					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2cccnc2)cs1						6.64					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1						7.31					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2ccncn2)cs1						8.0					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2cnccn2)cs1						7.31					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2cncnc2)cs1					5.18	5.822					
-CN(C(=O)c1ccc(F)cc1)c1nc(-c2ncccn2)cs1						5.242000000000001					
-CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1						5.0					
-CN(C(=O)c1ccccc1)c1nc(-c2ccncc2)cs1						7.1					
-CN(C(=O)c1ncc(C#Cc2cccc(F)c2)cn1)C(C)(C)C					7.407						
-CN(C)C(=O)COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											5.0
-CN(C)C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	7.1274999999999995										
-CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn12	6.39										
-CN(C)C(=O)Cn1cc(Cl)c2c1cc(-c1cccc(C(F)F)c1)cn2		7.3									
-CN(C)C(=O)Cn1ccc2c1cc(-c1ccc(Cl)s1)cn2		7.85									
-CN(C)C(=O)N1CC(Oc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)C1											7.46
-CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2c1cccc2	8.615										
-CN(C)C(=O)Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.021
-CN(C)C12CC3CC(C)(CC(C)(C3)C1)C2		5.35									
-CN(C)C12CC3CC(CC(C3)C1)C2		4.68									
-CN(C)C1CCN(CCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1											6.78
-CN(C)C1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1							6.48				
-CN(C)CCCN1c2c(cccc2)Sc2c1cc(Cl)cc2		6.089999999999999									
-CN(C)CCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											5.0
-CN(C)CCc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2	7.05										
-CN(C)Cc1c(O)ccc2c1nc(-c1ccccc1)[nH]2		5.449999999999999									
-CN(C)Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1	7.47										
-CN(C)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C						6.5					
-CN(C)Cc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						6.3					
-CN(C)Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	6.484999999999999										
-CN(C)S(=O)(=O)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					8.242						
-CN(C)c1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1					6.872000000000001						
-CN(C)c1c(Cl)nc(C(=O)Nc2ncccc2)cn1					6.8						
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O					5.11	8.242					
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(C#N)cc2)c1=O					6.0	8.0					
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O					4.0	9.4					
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc(F)cc2)c1=O					6.0	8.282					
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc3ncsc3c2)c1=O					5.0	8.51					
-CN(C)c1c2c(ncc1)sc1c2ccn(-c2ccc3scnc3c2)c1=O					5.88						
-CN(C)c1c2c(ncc1)sc1c2ccn(C2CCCCC2)c1=O					5.0	8.091000000000001					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2cc3n[nH]cc3cc2)c1=O					4.0						
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Br)cc2)c1=O						8.4					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C(C)(C)C)cc2)c1=O					4.0	5.071000000000001					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C(F)(F)F)cc2)c1=O					4.0						
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CC3)cc2)c1=O					5.33	7.06					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(C3CCCCC3)cc2)c1=O					4.0	4.0					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O						7.8					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(Cl)cc2Cl)c1=O					4.0	7.35					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccc(F)cc2)c1=O					4.95	7.64					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2)c1=O					4.0	7.7					
-CN(C)c1c2c(ncc1)sc1c2ncn(-c2ccccc2O)c1=O					4.0	7.3					
-CN(C)c1c2c(ncc1)sc1c2ncn(C2CCC2)c1=O					4.0	6.78					
-CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCC2)c1=O					5.94	8.3					
-CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCC2)c1=O					6.19	7.3					
-CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCC2)c1=O					6.832000000000001	9.0					
-CN(C)c1c2c(ncc1)sc1c2ncn(C2CCCCCCC2)c1=O					6.75	7.89					
-CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCC2)c1=O					4.0	7.58					
-CN(C)c1c2c(ncc1)sc1c2ncn(CC2CCCCC2)c1=O					4.0	6.86					
-CN(C)c1c2c(ncc1)sc1c2ncn(Cc2ccccc2)c1=O					4.0	6.55					
-CN(C)c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O					6.47	8.0					
-CN(C)c1c2c(ncc1)sc1c2nnn(C2CCCCCC2)c1=O					6.09	7.72					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(Br)cc2)c1=O						9.0					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(C(F)(F)F)cc2)c1=O					5.0	7.8					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O						9.0					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(F)cc2)c1=O						8.4					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2ccc(OC(F)(F)F)cc2)c1=O					5.0	7.852					
-CN(C)c1c2c(ncn1)sc1c2ncn(-c2cnccc2)c1=O						6.69					
-CN(C)c1c2c(ncn1)sc1c2ncn(C2CCCCC2)c1=O					6.7	8.152000000000001					
-CN(C)c1cc2c(cc1)CC1C3CCCCC23CCN1C		6.065									
-CN(C)c1cc2c(cc1)c(-c1c(C(=O)O)cc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc1)c1ccc(=[N+](C)C)cc-1o2								6.21			
-CN(C)c1ccc(-c2noc(C3CCc4c(C3)nnn4C(C)(C)C)n2)cc1					6.0						
-CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc2)cc1								8.93			
-CN(C)c1ccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)cc1					6.33						
-CN(C)c1ccc(C(c2ccc(C(=O)NCCCOP(=O)(O)OC3C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3O)cc2)c2ccc(N(C)C)cc2)cc1								6.135			
-CN(C)c1ccc(C=NN=C(N)N)cc1		5.1									
-CN(C)c1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)c1					5.0						
-CN(C)c1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											6.47
-CN(C)c1ccnc(N2CCc3c(cccc3)C2)c1		8.1									
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2cc3n[nH]cc3cc2)cn1						6.912000000000001					
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Br)cc2)cn1					5.902						
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(C(F)(F)F)cc2)cn1						7.497999999999999					
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc(Cl)cc2)cn1					5.7410000000000005						
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(-c2ccc3scnc3c2)cc1						8.3					
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(C23CC4CC(CC(C4)C2)C3)cn1					6.811	7.12					
-CN(C)c1ccnc2c1c1c(s2)c(=O)n(C2CC2)cn1					4.0	6.2					
-CN(C)c1nc(N)c(C(=O)Nc2ccccn2)nc1					5.292000000000001						
-CN(C)c1ncc(C#Cc2ccccc2)cn1					6.95						
-CN(C)c1ncc(C=Cc2ccccc2)cn1					6.25						
-CN(C)c1nccc(C=Cc2ccccc2)n1											4.523
-CN(C)c1nnc(C#Cc2ccccc2)cc1					6.4						
-CN(C)c1nncc(-c2cc(Br)ccc2)c1	7.156666666666666										
-CN(CC(=O)N1CCN(c2c(Cl)cc(Cl)cc2)CC1)Cc1ccncc1					4.602						
-CN(CC(N)=O)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.08				
-CN(CCCCc1ccccc1)C1CCc2c(CC1)nccc2		6.32									
-CN(CCCc1ccccc1)C1CCc2c(CC1)nccc2		6.35									
-CN(CCc1cc(Cl)c(Cl)cc1)CCN1CCCCCC1		5.160000000000001									
-CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1	7.227666666666667										
-CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(O)c2)C(O)C1		6.0									
-CN(Cc1ccccc1)C(=O)CN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1		6.42									
-CN(Cc1ccccc1)C(c1cccc2nc(O)c(O)nc12)P(=O)(O)O		6.4595714285714285									
-CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2c1cccc2	6.23										
-CN(c1c(Cl)cccc1)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1											6.162000000000001
-CN(c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)S(C)(=O)=O		6.965									
-CN(c1ccc(Cl)cc1)c1ccc(C(=O)N2CCCCC2)cn1					5.0						
-CN(c1cccc(Cl)c1)c1c2ncccc2n[nH]1											5.1
-CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2ccncn2)cc1											6.002000000000001
-CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1					6.91						
-CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Cl)c2)c1					5.88						
-CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1					6.52						
-CN(c1cccnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1					5.7						
-CN(c1cnccc1)c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1					7.66						
-CN(c1cncnc1)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1F					6.32						
-CN(c1cncnc1)c1cc(Cl)cc(C(=O)Nc2cccc(F)n2)c1					6.53						
-CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Br)c2)c1					6.01						
-CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(C#N)c2)c1					5.34						
-CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1					6.03						
-CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccn1					6.165						
-CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1					6.79						
-CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(C#N)c2)c1					5.65						
-CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1					6.95						
-CN(c1cncnc1)c1cncc(NC(=O)c2cccc(C#N)c2)c1					5.745						
-CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1					6.65						
-CN1C(=O)C(C(=O)OCc2ccccc2)(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C					6.28						
-CN1C(=O)C(C)(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.05						
-CN1C(=O)C(Cc2c[nH]c3ccccc23)N=C(c2c(F)cccc2)c2c1cccc2	4.0										
-CN1C(=O)C(N)N=C(c2ccccc2)c2c1cccc2	5.07										
-CN1C(=O)C(NC(=O)c2cc3c(cccc3)n2C)N=C(c2ccccc2)c2c1cccc2	4.0										
-CN1C(=O)C(NC(=O)c2ccc(Br)cc2)N=C(c2ccccc2)c2c1cccc2	4.82										
-CN1C(=O)C(O)(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					6.38						
-CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)C2CCCC21					7.11						
-CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)C2CCCCC21					7.04						
-CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C					6.67						
-CN1C(=O)C(c2ccc(C#Cc3ccc(F)cc3)nn2)CC1(C)C					6.61						
-CN1C(=O)C(c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C					7.42						
-CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCC21					7.467						
-CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCCC21					7.057						
-CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.21						
-CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)cn2)CCC1(C)C					7.01						
-CN1C(=O)C(c2ccc(C#Cc3cccc(F)c3)nn2)CC1(C)C					7.47						
-CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)C2CCCC21					7.475						
-CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21					6.973						
-CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.22						
-CN1C(=O)C(c2ccc(C#Cc3ccccc3)cn2)CCC1(C)C					6.95						
-CN1C(=O)C(c2ccc(C#Cc3ccccc3)nn2)CC1(C)C					7.24						
-CN1C(=O)C(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C					6.01						
-CN1C(=O)C(c2ccc(C#Cc3ccnc(Cl)c3)cn2)CC1(C)C					7.08						
-CN1C(=O)C(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					6.41						
-CN1C(=O)C(c2ncc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C					6.24						
-CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cc2F)CC1(C)C					6.73						
-CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C					6.86						
-CN1C(=O)C(c2ncc(C#Cc3cccc(F)c3)cn2)CCC1(C)C					6.88						
-CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)C2CCCC21					7.28						
-CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C					6.89						
-CN1C(=O)C(c2ncc(C#Cc3ccccc3)cn2)CCC1(C)C					6.75						
-CN1C(=O)CN=C(C2CCC2)c2c1ccc(F)c2	6.522999999999999										
-CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2c1ccc(Cl)c2	8.15										
-CN1C(=O)CN=C(c2c([N+](=O)[O-])cccc2)c2c1ccc([N+](=O)[O-])c2	7.885										
-CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Br)c2	7.440599999999999										
-CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#C[Si](C)(C)C)c2	6.7166										
-CN1C(=O)CN=C(c2ccccc2)c2c1ccc(C#N)c2	6.3146										
-CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2	7.662										
-CN1C(=O)CN=C(c2ccccc2)c2c1cccc2	6.5986										
-CN1C(=O)CN=C(c2ccccc2F)c2c1ccc([N+](=O)[O-])c2	8.475										
-CN1C(=O)CN=C(c2ccco2)c2c1ccc(Cl)c2	9.041799999999999										
-CN1C(=O)CN=C(c2cccs2)c2c1ccc(Cl)c2	7.5866										
-CN1C(=O)CN=C(c2cccs2)c2c1ccc(F)c2	6.7825999999999995										
-CN1C(=O)CN=C(c2cscc2)c2c1ccc(Cl)c2	6.522999999999999										
-CN1C(=O)CN=C1NC(=O)Nc1cccc(Cl)c1					7.24						
-CN1C(=O)COc2c1cc(Nc1c3ncccc3n[nH]1)cc2											5.09
-CN1C(=O)COc2c1ccc(Nc1c3ncccc3n[nH]1)c2											5.0
-CN1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C							7.19				
-CN1C(=O)N(c2ccc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C					7.39						
-CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.46						
-CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC12CC2					7.1						
-CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C					7.31						
-CN1C(=O)N(c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C					7.5						
-CN1C(=O)N(c2ccc(C#Cc3cccc(Cl)c3)nn2)CC1(C)C					7.14						
-CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)C2CCCC21					7.75						
-CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.54						
-CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC12CC2					7.29						
-CN1C(=O)N(c2ccc(C#Cc3cccc(F)c3)nn2)C2CCCC21					7.92						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCC21					7.52						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C2CCCCC21					7.96						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.46						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC12CC2					7.46						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC12CCCC2					7.54						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C(C)(C)C					7.23						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CC1					7.28						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1C1CCCC1					7.24						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CCC1(C)C					7.82						
-CN1C(=O)N(c2ccc(C#Cc3ccccc3)nn2)C2CCCC21					7.89						
-CN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)C2CCCCC21					7.57						
-CN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)CC1(C)C					7.85						
-CN1C(=O)N(c2ccc(C#Cc3ccnnc3)cn2)CC1(C)C					7.47						
-CN1C(=O)N(c2ccc(C#Cc3cn(C)nc3)cn2)CC1(C)C					7.57						
-CN1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C					7.54						
-CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)C2CCCCC21					7.5						
-CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)CC1(C)C					7.43						
-CN1C(=O)N(c2ccc(C#Cc3cncnc3)cn2)CC1(C)C					7.27						
-CN1C(=O)N(c2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)C(=O)C1C(C)(C)C											6.12
-CN1C(=O)N(c2cnc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.31						
-CN1C(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.34						
-CN1C(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)CCC1(C)C					7.58						
-CN1C(=O)N(c2cnc(C#Cc3ccccc3)cn2)CC1(C)C					7.62						
-CN1C(=O)N(c2cnc(C#Cc3ccccc3)cn2)CCC1(C)C					7.44						
-CN1C(=O)N(c2cnc(C#Cc3cccnc3)cn2)CC1(C)C					6.69						
-CN1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CC1(C)C					8.15						
-CN1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C					7.24						
-CN1C(=O)N(c2ncc(C#Cc3ccc(F)c(F)c3)cn2)CC1(C)C					7.64						
-CN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cc2F)CC1(C)C					7.02						
-CN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.89						
-CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cc2F)CC1(C)C					7.5						
-CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.75						
-CN1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CCC1(C)C					7.22						
-CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C					7.96						
-CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC12CC2					7.6						
-CN1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CCC1(C)C					7.18						
-CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O							6.23				
-CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							7.68				
-CN1CC(=O)N=C1NC(=O)Nc1c(Cl)cccc1					5.385						
-CN1CC(=O)N=C1NC(=O)Nc1cc(Cl)cc(Cl)c1					5.0						
-CN1CC(=O)N=C1NC(=O)Nc1cc(Cl)ccc1					7.315	8.17					
-CN1CC(=O)N=C1NC(=O)Nc1cccc(Br)c1					6.42						
-CN1CC(=O)N=C1NC(=O)Nc1cccc(C#N)c1					5.41						
-CN1CC(=O)N=C1NC(=O)Nc1ccccc1					5.31						
-CN1CC(=O)N=C1NC(=O)Nc1cccs1					5.31						
-CN1CC(=O)N=C1NC(=O)Nc1ccncc1					5.95						
-CN1CC(=O)N=C1NC(=O)Nc1ccncc1Cl					6.18						
-CN1CC(=O)N=C1NC(=O)Nc1csc(Cl)c1					6.735						
-CN1CC(=O)N=C1NC(=O)Nc1cscc1					5.78						
-CN1CC(=O)N=C1NC(=O)Nc1ncccc1					6.095						
-CN1CC(=O)N=C1NC(=O)Nc1ncccc1Cl					6.78						
-CN1CC(=O)N=C1NC(=O)c1cccc(Cl)c1					5.64						
-CN1CC(C)(C)CN(c2ccc(C#Cc3ccccc3)cn2)C1=O					7.48						
-CN1CC(N)(C(=O)O)CC1C(=O)O			3.523		3.523	3.523	3.523				3.523
-CN1CC2C(C(=O)OC(C)(C)C)=NCN2c2c(cc(C#C[Si](C)(C)C)cc2)C1=O	7.421666666666667										
-CN1CCC(=O)N=C1NC(=O)Nc1cccc(Br)c1					7.02						
-CN1CCC(=O)N=C1NC(=O)Nc1cccc(C#N)c1					7.0						
-CN1CCC(=O)N=C1NC(=O)Nc1cccc(C(F)(F)F)c1					5.921						
-CN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1					7.3						
-CN1CCC(=O)N=C1NC(=O)Nc1cccc(F)c1					5.62						
-CN1CCC(=O)N=C1NC(=S)Nc1cc(Cl)ccc1					6.242000000000001						
-CN1CCC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)CC1					5.921						
-CN1CCC(Oc2nn(C)c3c2ccc(Nc2c4ncccc4n[nH]2)c3)CC1											5.73
-CN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)C1	8.66										
-CN1CCC(c2ccccc2)(N2CCCCC2)C1=O		3.9499999999999997									
-CN1CCC(n2nnc3c2CCC(c2nc(-c4ccc(F)cc4)no2)C3)CC1					5.4						
-CN1CCC23CCCCC2C1Cc1c3cc(Cl)cc1		6.555									
-CN1CCC23CCCCC2C1Cc1c3cc(N)cc1		5.275									
-CN1CCC23CCCCC2C1Cc1c3cc(N=C=S)cc1		6.565									
-CN1CCC23CCCCC2C1Cc1c3cc(O)cc1		5.982571428571428									
-CN1CCC23CCCCC2C1Cc1c3cc(OCc2ccccc2)cc1		6.695									
-CN1CCC23CCCCC2C1Cc1c3cccc1		5.885									
-CN1CCCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1	6.51										
-CN1CCCC(c2ccccc2)(N2CCCCC2)C1=O		4.866666666666666									
-CN1CCCC12CCN(CCOc1ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c1)CC2											7.22
-CN1CCCC1=NC(=O)Nc1cccc(Cl)c1					6.21						
-CN1CCCC1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1						5.0					
-CN1CCCC1Cc1c[nH]c2c1cc(-n1ccc3cc(C#N)ccc31)cc2	6.0										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(Cl)c3)cc2	8.96										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(Cc1c[nH]c4ccccc14)C(=O)NC(=O)OCc1ccccc1)c3)cc2	7.48										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2	8.59										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)cnc31)cc2	8.01										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2	7.89										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3ccccc31)cc2	7.8										
-CN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2	7.57										
-CN1CCCC1Cc1c[nH]c2c1cc(Nc1c([N+](=O)[O-])cccn1)cc2	5.02										
-CN1CCCCC(c2ccc(C#Cc3ccc(F)cc3)cn2)C1=O					7.05						
-CN1CCCCC(c2ccc(C#Cc3cccc(F)c3)cn2)C1=O					7.41						
-CN1CCCCC(c2ccc(C#Cc3ccccc3)cn2)C1=O					7.09						
-CN1CCCCC1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	6.0										
-CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ncc(Cl)cc2)CC1	6.278										
-CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1					5.51						
-CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)nc2)CC1					5.8						
-CN1CCN(C(=O)c2cn(-c3c(Cl)cc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1	5.89										
-CN1CCN(CCCNc2ccc3oc(-c4ncc5ccccc5c4)cc(=NO)c3c2)CC1											5.28
-CN1CCN(CCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)CC1											5.77
-CN1CCN(CCOc2ccc3oc(-c4ncc5ccccc5c4)cc(=NO)c3c2)CC1											5.01
-CN1CCN(Cc2c(O)ccc3c2nc(-c2ccccc2)[nH]3)CC1		5.35									
-CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O							6.96				
-CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1							6.6				
-CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F							7.2				
-CN1CCOc2c1ccc(-c1cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n1)c2					6.04						
-CN1CCOc2c1ccc(C#Cc1ccccc1)n2					7.25						
-CN1CCOc2c1ncc(C#Cc1ccccc1)c2					7.52						
-CN1CCOc2c1ncc(C=Cc1ccccc1)c2					6.16						
-CN1CCOc2c1ncc(COC1CCCCC1)c2					6.08						
-CN1CCOc2c1ncc(COc1ccccc1)c2					7.3						
-CN1CCOc2c1ncc(OC(=O)c1ccccc1)c2					7.91						
-CN1CCSC1=NC(=O)Nc1cccc(Cl)c1					6.58						
-CN1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.47						
-CN1CCc2c(cc3OCOc3c2)C1C1OC(=O)c2c1ccc1c2OCO1	4.797										
-CN1CCc2c(ccc(C#Cc3cc(F)ccc3)n2)C1=O					6.77						
-CN1CCc2c(ccc(C#Cc3ccc(Cl)cc3)n2)C1=O					6.037999999999999						
-CN1CCc2c(ccc(C#Cc3cccc(Cl)c3)n2)C1=O					7.13						
-CN1CCc2c(ccc(C#Cc3ccccc3)c2)C1=O					6.6						
-CN1CCc2c(ccc(C#Cc3ccccc3)n2)C1=O					7.053999999999999						
-CN1CCc2c(ccc(C#Cc3ccccc3Cl)n2)C1=O					5.57						
-CN1CCc2c(ccc(C#Cc3ccccn3)n2)C1=O					5.975						
-CN1CCc2c(ccc(C#Cc3cccnc3)n2)C1=O					4.56						
-CN1CCc2c(ccc(C#Cc3cccs3)n2)C1=O					6.005						
-CN1CCc2c(sc(C#Cc3ccccc3)n2)C1=O					7.665						
-CN1CCc2c(sc(COc3ccccc3)n2)C1=O			5.0		5.921	5.0	5.0		5.0	5.0	5.0
-CN1CCc2c(sc(OCc3ccccc3)n2)C1=O					5.76						
-CN1CCc2c1ncc(C#Cc1ccccc1)c2					6.9670000000000005						
-CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(C1=O)c(Cl)ccc2	9.0				5.95						
-CN1Cc2c(C#Cc3ccccc3)ncn2-c2c(cc(F)cc2)C1=O	8.4				6.48						
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Br)cc2)C1=O	8.262										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#CC[Si](C)(C)C)cc2)C1=O	6.720000000000001										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(C#C[Si](C)(C)C)cc2)C1=O	7.343666666666667										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(Cl)cc2)C1=O	8.112										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(I)cc2)C1=O	8.336										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N(C)C)cc2)C1=O	7.834999999999999										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCC3)cc2)C1=O	7.3825										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N3CCCCC3)cc2)C1=O	7.5										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=C=S)cc2)C1=O	7.7299999999999995										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(N=[N+]=[N-])cc2)C1=O	8.346										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc(O)cc2)C1=O	9.0275										
-CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2c(cc([N+](=O)[O-])cc2)C1=O	7.764										
-CN1Cc2c(C(=O)OCC3CC3)ncn2-c2c(cc(Cl)cc2)C1=O	7.453999999999999										
-CN1Cc2c(CCl)ncn2-c2c(cc(Cl)cc2)C1=O	7.54										
-CN1c2c(ccc(C3=CC4CN(C(=O)C(C)(C)O)CC4C3)n2)N(CC2CC2(F)F)S1(=O)=O							7.18				
-CN1c2c(ccc(C3=CCN(C(=O)c4nocc4)C3)n2)N(CC2CC2(F)F)S1(=O)=O							6.75				
-CN1c2c(ccc(C3CCCNC3)n2)N(CC2CC2(F)F)S1(=O)=O							6.45				
-CNC(=N)NC		5.0									
-CNC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.0
-CNC(=O)CCC(CC(N)C(=O)O)C(=O)O											4.0
-CNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.7										
-CNC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.61										
-CNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.37										
-CNC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1	8.32										
-CNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1	8.89										
-CNC(=O)c1cn2cc(C)nc(C#Cc3cccc(C(F)(F)F)c3)c2c1					6.7						
-CNC(=O)c1cn2cc(C)nc(C#Cc3cccc(F)c3)c2c1					7.0						
-CNC(=O)c1cn2cc(C)nc(C#Cc3ccccc3)c2c1					6.9						
-CNC(=O)c1cn2cc(C)nc(C#Cc3ccccc3F)c2c1					5.8						
-CNC(=O)c1cn2cc(C)nc(C#Cc3cscc3)c2c1					7.3						
-CNC(=O)c1cnc(C#Cc2ccccc2)cc1					4.82						
-CNC(=O)c1nnc2c(-c3c(OC)ccc(OC)c3)cccc2c1N	6.89										
-CNC(c1c2nc(O)c(O)nc2ccc1)P(=O)(O)O		5.887428571428572									
-CNC1(c2c(Cl)cc(OC)cc2)CCCCC1=O		4.8500000000000005									
-CNC1(c2c(Cl)cccc2)CCCCC1=O		6.305714285714286									
-CNC1(c2c(Cl)cccc2)CCCN(C)C1=O		3.6									
-CNC1(c2ccccc2Cl)CCCNC1=O		4.133333333333334									
-CNC12CC3CC(C)(CC(C)(C3)C1)C2		5.79									
-CNC12CC3CC(CC(C3)C1)C2		4.660000000000001									
-CNC1=NCC(C(=O)O)CC1	4.315										
-CNC1=Nc2c(cc(Cl)cc2)C(c2ccccc2)=[N+]([O-])C1	6.330500000000001										
-CNCc1cn(CC(=O)Nc2c(C(=O)NC)c3c(CCCC3)s2)nc1C(F)(F)F						5.8					
-CNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(C)(C)C						6.5					
-CNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						6.9					
-CNCc1cn(CCC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						5.8					
-CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1	7.79										
-CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1	7.72										
-CNc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	6.6122499999999995										
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(Br)cc2)c1=O						9.1					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(C#N)cc2)c1=O						6.691					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(C)cc2)c1=O						8.47					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(Cl)cc2)c1=O						8.7					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(F)cc2)c1=O						7.17					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)c(F)c2)c1=O						7.122999999999999					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O						7.57					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2F)c1=O						7.06					
-CNc1c2c(ncc1)sc1c2ccn(-c2ccc3scnc3c2)c1=O						7.33					
-CNc1c2c(ncc1Br)sc1c2ncn(-c2ccc(Cl)cc2)c1=O						8.23					
-CNc1c2c(ncn1)sc1c2ccn(-c2ccc(C)cc2)c1=O						7.51					
-CNc1c2c(ncn1)sc1c2ccn(-c2ccc(OC)cc2)c1=O						7.06					
-CNc1c2c(ncn1)sc1c2ncn(-c2ccc(OC)cc2)c1=O					5.0	8.3					
-CNc1c2c3c(cccc3)n(C)c2nc(C)c1C(=O)OC	4.77										
-CNc1cc(-c2cc(Br)ccc2)cnn1	7.276666666666666										
-CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1	5.0	5.0									
-CNc1cc2c(cc1)CC1C3CCCCC23CCN1C		6.1049999999999995									
-CNc1ccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1							6.34				
-CNc1ccnc(N2CCc3c(cccc3)C2)c1		7.910000000000001									
-CNc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					7.21	5.8					
-CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O					5.523	6.0					
-CNc1ncc(C#Cc2ccccc2)cn1			5.0		7.622999999999999	5.0	5.0		5.0	5.0	5.0
-CNc1ncc(C(=O)O)cc1	4.0										
-CNc1ncc(Cl)nc1C(=O)Nc1ncccc1					6.84						
-CNc1ncc(Nc2c3ncccc3n[nH]2)cc1Cl											5.19
-CNc1nccc(C=Cc2ccccc2)n1											4.523
-CNc1ncnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)c1					5.101	8.742					
-COC(=O)C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	8.05										
-COC(=O)C(=O)Nc1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.14										
-COC(=O)C(Cc1ccccc1)NC(=O)C12CC1C(=NO)c1c(cccc1)O2						6.042000000000001					
-COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	7.32										
-COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C	3.8959999999999995										
-COC(=O)C1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							6.86				
-COC(=O)CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1	7.77										
-COC(=O)CCC(CC(N)C(=O)O)C(=O)O											4.0
-COC(=O)N1C2CCC1CC(C#Cc1cccc(C)c1)(OC)C2					6.862						
-COC(=O)N1C2CCC1CC(C#Cc1cccc(C)c1)C2					7.189						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cc(Cl)ccc1)C2					7.561						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cc(OC(F)F)ccc1)C2					7.14						
-COC(=O)N1C2CCC1CC(O)(C#Cc1ccc(F)cc1)C2					5.66						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C#N)c1)C2					6.729						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)c1)C2					7.312						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(C)n1)C2					6.087999999999999						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(F)c1)C2					7.212000000000001						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cccc(OC)c1)C2					7.119						
-COC(=O)N1C2CCC1CC(O)(C#Cc1ccccc1)C2					6.528						
-COC(=O)N1C2CCC1CC(O)(C#Cc1cn3ccccc3n1)C2					4.0						
-COC(=O)N1C2CCCC1CC(O)(C#Cc1cccc(C)c1)C2					5.99						
-COC(=O)N1CC(F)(F)C(O)(C#Cc2cccc(C)c2)C2CCCC21					6.747999999999999						
-COC(=O)N1CC2CC(O)(C#Cc3cc(C)ccc3)CC2C1					5.07						
-COC(=O)N1CC2CCC(O)(C#Cc3cc(C)ccc3)C2C1					7.06						
-COC(=O)N1CC2CCC(O)(C#Cc3cccc(C)c3)CC2C1					6.031000000000001						
-COC(=O)N1CC2CCC1CC2(O)C#Cc1cc(C)ccc1					7.071000000000001						
-COC(=O)N1CC2CCCC(O)(C#Cc3cccc(C)c3)C2C1					6.0						
-COC(=O)N1CC2COCC(C1)C2(O)C#Cc1cc(C)ccc1					5.473						
-COC(=O)N1CCC(O)(C#Cc2cc(C)ccc2)CC12CCC2					6.47						
-COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCC21					7.071000000000001						
-COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCCC21					6.642						
-COC(=O)N1CCC2(CC1)CC(O)(C#Cc1cc(C)ccc1)C2					6.5120000000000005						
-COC(=O)N1CCC2(CC1)CC(O)(C#Cc1cc(C)ccc1)CO2					6.09						
-COC(=O)N1CCC2C1CCCC2(O)C#Cc1cc(C)ccc1					7.848						
-COC(=O)N1CCC2CC(O)(C#Cc3cc(C)ccc3)C2C1					7.44						
-COC(=O)N1CCCCC12CCCC(O)(C#Cc1cccc(C)c1)C2					7.062						
-COC(=O)N1CCOc2c1ncc(COc1ccccc1)c2					6.32						
-COC(=O)NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		6.4239999999999995									
-COC(=O)NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1							7.73			7.69	
-COC(=O)Nc1nc(C#Cc2cnccc2)cs1					5.0						
-COC(=O)c1c(-c2cc(-c3ccccc3)nnc2)ccs1	7.4433333333333325										
-COC(=O)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.65						
-COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1c(cccc1)n2C	4.95										
-COC(=O)c1c(-c2ccccc2)nncc1-c1ccccc1	7.3066666666666675										
-COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C	5.27										
-COC(=O)c1c(C)nc2c(c1N)c1c(cccc1)n2C(=O)OC	5.02										
-COC(=O)c1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1	7.9875										
-COC(=O)c1c(N)c2c(nc1C)n(C1CCCC1)c1c2cccc1	4.1										
-COC(=O)c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC	7.37										
-COC(=O)c1c(N)sc(-c2ccccc2)c1C				5.39	4.52						
-COC(=O)c1cc(-c2cc(-c3ccccc3)nnc2)ccc1	7.75										
-COC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1							7.89				
-COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O	6.12975										
-COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O	6.4399999999999995										
-COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O	6.5										
-COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cnccc2)n(C)c1=O	6.6515										
-COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ncccc2)n(C)c1=O	6.04125										
-COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O	6.319										
-COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O	6.425000000000001										
-COC(=O)c1cc(-c2cn(C)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)c(F)c2n1							7.765				
-COC(=O)c1cc(NC(=O)NC2=NC(=O)CN2C)ccc1					5.0						
-COC(=O)c1cc(OCC#Cc2cccc(C)n2)cnc1					5.83						
-COC(=O)c1cc2c(cn1)[nH]c1c2cccc1	8.24										
-COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(C)=O)cc3)c2C)cc1			5.468999999999999						5.62		5.0
-COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(OC(C)=O)cc3)c2C)cc1			5.0						5.0		5.0
-COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cc(C)ccc3)c2C)cc1									5.0		
-COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1			5.796						6.0		6.0
-COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1			5.5								5.0
-COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(N(C)C(C)=O)cc3)c2C)cc1			5.481						5.0		5.0
-COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1				6.409	6.456	6.509	6.432			6.745	5.57
-COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c(C)[nH]c3ccccc23)cc1		4.89									
-COC(=O)c1ccc(C=NN=C(N)N)cc1		4.15									
-COC(=O)c1ccc(N2C(=O)c3c(cccc3)NC2C(C)c2ccccc2)cc1											5.0
-COC(=O)c1ccc(NCc2c(C)onc2-c2ccc(F)cc2)nc1	7.59										
-COC(=O)c1ccc(NCc2c(C)onc2-c2cccc(F)c2)nc1	7.16										
-COC(=O)c1ccc(NCc2c(C)onc2-c2ccccc2)nc1	7.56										
-COC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.24										
-COC(=O)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.05										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1	8.35										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1	8.8										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cc2)nc1	7.79										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1	8.7										
-COC(=O)c1ccc(OCc2c(C)onc2-c2cccc(Cl)c2)nc1	7.56										
-COC(=O)c1ccc(OCc2c(C)onc2-c2cccc(F)c2)nc1	7.76										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	7.85										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccccn2)nc1	8.42										
-COC(=O)c1ccc(OCc2c(C)onc2-c2cccnc2)nc1	7.27										
-COC(=O)c1ccc(OCc2c(C)onc2-c2ccncn2)nc1	7.95										
-COC(=O)c1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1					6.5						
-COC(=O)c1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1					6.47						
-COC(=O)c1cccc(C=NN=C(N)N)c1		4.14									
-COC(=O)c1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											5.0
-COC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CC4)c3)C=C21					7.21	5.68					
-COC(=O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Br)cc2)n1	5.47										
-COC(=O)c1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1					6.11	5.0					
-COC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1							7.64				
-COC(=O)c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)nc1							7.51				
-COC(=O)c1cnc(OCc2c(C)onc2-c2ccccc2)c(Br)c1	7.46										
-COC(=O)c1cncn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.6				
-COC(=O)c1ncc2[nH]c3c(cc(NC4CCCCC4)cc3)c2c1	7.144										
-COC(=O)c1ncc2[nH]c3c(cc(NCc4cc5c(cccc5)cc4)cc3)c2c1	6.372										
-COC(=O)c1ncc2[nH]c3c(cc(NCc4ccccc4)cc3)c2c1	6.884										
-COC(=O)c1ncc2[nH]c3c(cc(SC#N)cc3)c2c1	6.96										
-COC(C)c1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21					7.15	5.47					
-COC(C)c1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1					8.15	5.49					
-COC(C)c1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1					8.22	5.68					
-COC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1					8.41	5.56					
-COC(C)c1cn(C2=NCC(=O)N3CCc4c(ccnc4C4CC4)C3=C2)cn1						5.0					
-COC(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1		7.7									
-COC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		7.7700000000000005									
-COC1(OC)CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1					5.3						
-COC1(c2ccc(C#Cc3ccccc3)cn2)CC(C)(C)N(C)C1=O					7.02						
-COC1(c2ccccc2)CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1							7.58				
-COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1					7.17	5.0					
-COC1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CC1(C)C					7.12						
-COC1C(=O)N(c2ccc(C#Cc3cccc(C)c3)cn2)CC1(C)C					7.06						
-COC1C(=O)N(c2ccc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.37						
-COC1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C					7.5						
-COC1C(=O)N(c2ccc(C#Cc3cncc(Cl)c3)cn2)CC1(C)C					7.16						
-COC1C(=O)N(c2ncc(C#Cc3cc(F)ccc3F)cn2)CC1(C)C					7.24						
-COC1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C					7.57						
-COC1C(=O)N(c2ncc(C#Cc3ccccc3)cn2)CC1(C)C					7.505						
-COC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)C1					6.192						
-COC1CC2(C)C(=CC#N)CCC2C2CCC3CC(O)CCC3(C)C12	6.75										
-COC1CC2(C)C(CCC3C4CCC(=CC#N)C4(C)CC(=O)C32)CC1O	6.905										
-COC1CCC(C(=O)c2ccc3nc4CCCCCc4cc3c2)CC1						7.747999999999999					
-COC1CCC(C(=O)c2ccc3nc4CCCc4cc3c2)CC1						9.251					
-COC1CCC(C(=O)c2ccc3nc4OCCCc4cc3c2)CC1						8.602					
-COC1CCC(C(=O)c2ccc3nc4SCCc4cc3c2)CC1						8.7					
-COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1						7.539					
-COC1CCCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)C1					5.74						
-COC1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1							6.86				
-COC1CN(C(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)C1	7.8										
-COC1CN(c2ccc(C#Cc3cccc(F)c3)cn2)C(=O)OC1(C)C					7.89						
-COC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)OC1(C)C					7.66						
-COCC(=O)N(C)c1cc(OCc2cccc(Cl)c2)cc(C)c1					7.158						
-COCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1					7.25						
-COCC1(O)CCC2C(CCC3C2CCC2(C)C(C(=O)Cn4cc(C#N)cn4)CCC32)C1	5.8815										
-COCC1CCN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					7.17						
-COCC1CN(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)CCO1							6.79				
-COCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1					7.212999999999999						
-COCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1)S(C)(=O)=O		6.14									
-COCCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		7.422999999999999									
-COCCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.28										
-COCCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.601
-COCCN(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							6.62				
-COCCN(C)Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1						8.32					
-COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2c1cccc2	7.324999999999999										
-COCCN(c1c2nc(O)c(O)nc2cc(C)c1Cl)S(C)(=O)=O		7.112									
-COCCN(c1c2nc(O)c(O)nc2cc(Cl)c1C)S(C)(=O)=O		7.13									
-COCCN(c1c2nc(O)c(O)nc2cc(Cl)c1Cl)S(C)(=O)=O		7.42									
-COCCN1CCC(c2c[nH]c3c2cc(-n2cnc4cc(C#N)ccc42)cc3)CC1	9.22										
-COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3c1ccc(NC(=O)Nc1ccccc1)c3)cc2	7.77										
-COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(C#N)ccc31)cc2	7.62										
-COCCN1CCCC1Cc1c[nH]c2c1cc(-n1cnc3cc(CN)ccc31)cc2	7.260000000000001										
-COCCN1CCOc2c1ncc(COc1ccccc1)c2					6.34						
-COCCN1CCc2c(sc(C#Cc3ccccc3)n2)C1=O					6.922000000000001						
-COCCN1CCc2c(sc(COc3ccccc3)n2)C1=O					5.64						
-COCCNC(=O)c1c(C)c(C(=O)NC2CC3CCC2C3)c[nH]1						5.0					
-COCCNC(=O)c1c(C)c(C(=O)OC(C)C(C)(C)C)c[nH]1						7.5					
-COCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c(C)[nH]1						6.5					
-COCCNC(=O)c1c(C)c(C(=O)OC2CC3CCC2C3)c[nH]1						6.8					
-COCCNC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1	8.11										
-COCCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1	8.96										
-COCCNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.39										
-COCCNCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						5.8					
-COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1											5.0
-COCCNc1c2c(ncc1)sc1c2ccn(-c2ccc(OC)cc2)c1=O						6.72					
-COCCOCc1cccc2c1CCN1C(=O)CN=C(c3cccc(OC)c3)C=C21					5.8	5.0					
-COCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.41
-COCCOc1ccc2c(=NO)cc(-c3ncc4ccccc4c3)oc2c1											5.52
-COCCOc1ccc2oc(-c3cc4cccn4cn3)cc(=NO)c2c1											6.8
-COCCOc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1											6.12
-COCCOc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1					7.34	5.89					
-COCCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.4025										
-COCCOc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											6.409
-COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1					7.55	5.0					
-COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1					7.47	5.38					
-COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1					7.34	5.98					
-COCCn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cccc2							6.8				
-COCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2							6.3				
-COCc1c(C(=O)OC(C)C)ncc2c1c1c(ccc(OCc3ccccc3)c1)[nH]2	8.254999999999999										
-COCc1c2CN(C)C(=O)c3c(ccc(Cl)c3)-n2cn1	6.7250000000000005										
-COCc1c2c(N)c(C(=O)c3ccc(F)cc3)oc2nc(C)c1Cl					5.19						
-COCc1c2c(cnc1N=C=S)[nH]c1c2cc(OCc2ccccc2)cc1	6.742										
-COCc1c2c(cnc1SC#N)[nH]c1c2cc(OCc2ccccc2)cc1	6.742										
-COCc1cc(C#Cc2csc(C)n2)cnc1					7.74						
-COCc1cccc(C#Cc2nc(C)ccc2)c1					8.197000000000001						
-COCc1cn(C2=NCC(=O)N3CCc4c(C3=C2)c(F)ccc4C2CC2)cn1					7.8	6.16					
-COCc1cn(C2=NCC(=O)N3CCc4c(cc(F)cc4C4CC4)C3=C2)cn1					8.52	6.25					
-COCc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1					8.7	6.54					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1					7.58	5.0					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc(C)s4)C3=C2)cn1					7.5						
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc[nH]4)C3=C2)cn1					7.57	5.19					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)C)C3=C2)cn1					6.75	5.699					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4=CCCC4)C3=C2)cn1					8.15	6.05					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1					7.385	6.27					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1					8.05	6.66					
-COCc1cn(C2=NCC(=O)N3CCc4c(cccc4OC(C)C)C3=C2)cn1					6.56	5.699					
-COCc1cncc(C#Cc2ncccc2)c1					7.72						
-COCc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1					5.81						
-COCc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)cn1					8.7	6.09					
-COCc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1					8.52	5.82					
-COCc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1	6.6225000000000005										
-COCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12							6.33				
-CON(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.09				
-CON=C1C=C(C#Cc2nc(C)ccc2)CCC1					8.527999999999999						
-COP(=O)(OC)c1c(C)nc2c(c1N)c1c(cccc1)n2C	4.523										
-COc1c(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cccc1							5.0				
-COc1c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cccc1	6.3										
-COc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.57						
-COc1c(-c2ccc(CN3CC(C)OC3=O)cc2)cccc1							7.39				
-COc1c(-c2ccc(I)cc2)cc2NC(=O)CC(c3cccc(-n4ccnc4)c3)=Nc2c1							7.05				
-COc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc(C)cc1					6.51						
-COc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.34						
-COc1c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)cc(C)cn1	8.54										
-COc1c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)cccn1	8.62										
-COc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1	6.1925										
-COc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1					5.4	6.23					
-COc1c(Br)cc2nc(O)c(O)nc2c1		6.0									
-COc1c(Br)ccc(NC(=O)c2ncccc2)c1											6.49
-COc1c(C(=O)C2CCN(CCc3ccc(F)cc3)CC2)cccc1O							7.78				
-COc1c(C(F)(F)F)cc2NC(=O)CC(c3cccc(-n4ccnc4)c3)=Nc2c1							7.04				
-COc1c(C)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1					7.54						
-COc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1		7.1									
-COc1c(C2CCCN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1					8.01						
-COc1c(C2CCN(Cc3nc4c(cccn4)n3C)CC2C)ccc(C(F)(F)F)c1							7.12				
-COc1c(C2CCN(c3c(C#N)c(=O)n(CC4CC4)cc3)CC2)cccc1							7.46				
-COc1c(C2CCN(c3c(C#N)c4nnc(CC(F)(F)F)n4cc3)CC2)cccc1F							7.51				
-COc1c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)c(F)ccc1F							8.39				
-COc1c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cccc1F							7.96				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)CC2)cc(F)cc1							7.98				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)c(F)c(F)cc1							8.085				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)c(F)ccc1F							8.095				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cc(F)cc1							8.02				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)ccc(F)c1F							7.58				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cccc1							7.827999999999999				
-COc1c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cccc1F							7.431				
-COc1c(C=NN=C(N)N)cccc1		4.7700000000000005									
-COc1c(CC=C(C)C)c2c(cc1)ccc(=O)o2	4.85										
-COc1c(CN(C(C)=O)c2cnccc2Oc2ccccc2)cccc1	5.0										
-COc1c(CN=C(N)C=Cc2ccccc2)cccc1		7.5825									
-COc1c(CN=C(N)c2cc3c(cccc3)cc2)cccc1		8.89									
-COc1c(CN=C(N)c2ccc(OC(F)(F)F)cc2)cccc1		8.315									
-COc1c(CNCCCCCCCCNCCCCCCNCCCCCCCCNCc2c(OC)cccc2)cccc1		6.59									
-COc1c(CNCCCCCNCCCCCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1		7.05									
-COc1c(CNCCCCCNCCCCCCNCCCCCNCc2c(OC)cccc2)cccc1		6.5									
-COc1c(COC(=O)C2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1	9.0										
-COc1c(COC(=O)c2c3nnc4c(cc(Cl)cc4)n3nc2)cccc1	8.77										
-COc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1	6.0										
-COc1c(Cc2cn(C)c3c2cc(NC(=O)OC2CCCC2)cc3)ccc(C(=O)NS(=O)(=O)c2c(C)cccc2)c1	5.0										
-COc1c(Cl)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1							6.44				
-COc1c(Cl)cc(NC(=O)c2ccccn2)cc1											8.878
-COc1c(Cl)cc2nc(-c3ccccn3)[nH]c2c1											5.0
-COc1c(Cl)cc2nc(C3N=CC=N3)[nH]c2c1											5.0
-COc1c(Cl)ccc(-c2c3c(C4CC4)c(C#N)c(-c4ccccc4)nc3n[nH]2)c1					7.035						
-COc1c(Cl)ccc(NC(=O)c2ccccn2)n1											5.19
-COc1c(Cl)ccc(NC(=O)c2nc(F)ccc2)c1											8.135
-COc1c(F)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1							5.931				
-COc1c(F)cc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1F							7.96				
-COc1c(F)cc(-c2nsc(NC(=O)C3CC3C)c2C)cc1					6.8	8.152000000000001					
-COc1c(F)ccc(NC(=O)c2ccccn2)c1											8.332
-COc1c(F)ccc(NC(=O)c2nc(F)ccc2)c1											7.05
-COc1c(I)ccc(NC(=O)c2ncccc2)c1											6.84
-COc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1		5.0									
-COc1c(NC(=N)Nc2c(OC)cccc2)cccc1		5.8									
-COc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1						6.48					5.0
-COc1c(NC(=O)c2c(Cl)cccc2)ccc(NC(=O)c2cccs2)c1											5.931
-COc1c(NS(=O)(=O)c2c(OC)cc(NC(=O)c3ncccc3)cc2)cccc1											6.88
-COc1c(Nc2ccc(Cl)cc2)ncc(C(=O)N2CCCCC2)c1					5.68						
-COc1c(O)c([N+](=O)[O-])cc(C(N)P(=O)(O)CCC(N)C(=O)O)c1			4.48	4.0							4.94
-COc1c(O)c([N+](=O)[O-])cc(C(O)P(=O)(O)CCC(N)C(=O)O)c1			4.555						4.16		5.595
-COc1c(O)c([N+](=O)[O-])cc(CP(=O)(O)CCC(N)C(=O)O)c1			4.55								4.72
-COc1c(O)c2c(cc1O)oc(-c1ccc(O)cc1)cc2=O	6.0										
-COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1	7.57										
-COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1	7.89										
-COc1c(O)ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1	6.849999999999999										
-COc1c(OC(=O)C(C)N2CCOCC2)c(OC)ccc1	3.703										
-COc1c(OC(=O)C(C)N2CCc3c(cccc3)C2)c(OC)ccc1	5.325										
-COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1	6.77										
-COc1c(OC)c2c(cc1)C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O					4.0						
-COc1c(OC)c2c(cc1)C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O					4.0						
-COc1c(OC)cc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1							6.58				
-COc1c(OC)cc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1	6.3										
-COc1c(OC)cc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1	5.0										
-COc1c(OC)cc(C2Oc3c(ccc(O)c3)CC2OC(C)=O)cc1	4.92										
-COc1c(OC)cc(C2Oc3c(cccc3)CC2OC(C)=O)cc1	5.17										
-COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1	7.52										
-COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	7.96										
-COc1c(OC)cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1	7.03										
-COc1c(OC)cc2c(c1)CCN(C)C2CC(O)c1ccc(Cl)cc1		5.52									
-COc1c(OC)cc2c(c1)CCNC2CC(O)c1ccc(Cl)cc1		4.973999999999999									
-COc1c(OC)cc2nc(O)c(O)nc2c1		4.7700000000000005									
-COc1c(Oc2ccc(N(Cc3cnccc3)S(=O)(=O)CC(F)(F)F)cc2)cccc1							5.77				
-COc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2		7.19									
-COc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2		6.82									
-COc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2		5.72									
-COc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	6.684749999999999										
-COc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1					5.74						
-COc1c2CN(c3c(Cl)cc(NC(=O)c4c(C)cco4)cc3)C(=O)c2ccc1						5.0					
-COc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	6.599999999999999										
-COc1c2c(ncc1)sc1c2ccn(-c2ccc(C3CC3)cc2)c1=O						7.101					
-COc1c2c(ncc1)sc1c2ccn(-c2ccccc2C)c1=O						7.071000000000001					
-COc1c2cc3c(c1)CCN(C)C3Cc1ccc(cc1)Oc1c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)O2	4.24										
-COc1c2ccc(C#Cc3ccccc3)nc2ccc1					6.39						
-COc1c2ccc(C#Cc3cnccc3)nc2ccc1					6.37						
-COc1c2oc(-c3ccccc3)cc(=O)c2c(O)cc1O	5.69										
-COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1	9.25										
-COc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(OC)c3)n2)cc(C)n1							7.54				
-COc1cc(-c2cc(Br)ccc2)cnn1	6.98										
-COc1cc(-c2ccc(CN3CC(C)OC3=O)cc2)ccc1							6.56				
-COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1					7.9						
-COc1cc(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c(OC)cc1	7.25										
-COc1cc(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c(OC)cc1	5.45										
-COc1cc(-c2cccc3c(N)c(C(=O)NC4CC(C)C4)nnc23)c(OC)cc1	7.86										
-COc1cc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)cc1	8.0										
-COc1cc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)cc1	7.58										
-COc1cc(-c2cccc3c(N)c(C(=O)NCCC(F)(F)F)nnc23)c(OC)cc1	7.04										
-COc1cc(-c2cccc3c(N)c(C(=O)NCCCO)nnc23)c(OC)cc1	6.96										
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1C							8.2				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1C(F)F							7.82				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)ccc1OC(F)F							8.3				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1C							8.15				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F							8.1				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1Cl							7.41				
-COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(CF)Cn23)ccc1OC(F)F							8.05				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C(F)F)Cn23)ccc1Cl							7.52				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C							7.67				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(C)(F)F							7.71				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F							8.38				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1C(F)F							8.04				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1Cl							8.0				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1F							7.47				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F							8.49				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)F							8.02				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C							7.72				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F							8.42				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)F							7.79				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1Cl							7.94				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)(F)F							8.57				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)F							7.8				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Br							7.5				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C							7.18				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C(F)(F)F							7.66				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1C(F)F							7.39				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1Cl							7.65				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1OC(F)(F)F							7.66				
-COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)ccc1OC(F)F							7.92				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1C							7.9				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F							8.36				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1Cl							8.24				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F							8.28				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F							8.62				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1Cl							7.79				
-COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(CF)Cn23)ccc1OC(F)F							8.29				
-COc1cc(-c2nc(-c3cc(C)nc(CO)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F							8.14				
-COc1cc(-c2nc(-c3cc(C)nc(CO)c3)c3CCOC(CF)Cn23)ccc1OC(F)F							6.96				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C							7.66				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(C)(F)F							7.33				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1C(F)(F)F							7.88				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1Cl							7.72				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1F							7.29				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)(F)F							8.32				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)ccc1OC(F)F							7.72				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C							7.53				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)(F)F							8.39				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1C(F)F							7.62				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1Cl							7.87				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)(F)F							8.42				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOC(CF)Cn23)ccc1OC(F)F							7.43				
-COc1cc(-c2nc(-c3ccnc(C)c3)c3CCOCCn23)ccc1C(F)(F)F							7.44				
-COc1cc(-c2nc(-c3ccnc(CF)c3)c3CCOC(C)Cn23)ccc1Cl							7.55				
-COc1cc(-c2nc(-c3ccnc(CF)c3)c3CCOCCn23)ccc1Cl							7.6				
-COc1cc(-c2nc(-c3ccnc(CO)c3)c3CCOC(C)Cn23)ccc1Cl							6.62				
-COc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1					5.32						
-COc1cc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1					5.96						
-COc1cc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)ccc1						6.93					
-COc1cc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)ccc1					6.482						
-COc1cc(C#Cc2ccc3C(=O)N(C)CCc3n2)ccc1					6.167999999999999						
-COc1cc(C#Cc2ccc3C(=O)N(C4CCCC4)CCc3n2)ccc1					6.33						
-COc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1					5.47						
-COc1cc(C#Cc2ccccn2)cnc1					9.0						
-COc1cc(C#Cc2csc(C)n2)ccc1					7.31						
-COc1cc(C#Cc2nc(C)ccc2)ccc1					8.0						
-COc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCCC2)CC3)ccc1					4.63						
-COc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1					7.54						
-COc1cc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)ccc1				5.71			6.752999999999999			8.767000000000001	4.93
-COc1cc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3c(cccc3)C2=O)ccc1					5.822						
-COc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)cc([N+](=O)[O-])c1O				5.712999999999999							
-COc1cc(C)c(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(C)c1							7.28				
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)ccn1					8.15	5.0					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccn4)C3=C2)ccn1					7.34	5.0					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4F)C3=C2)ccn1					7.96	5.0					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)ccn1					7.18	5.0					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)ccn1					7.12	5.52					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)ccn1					7.89	5.85					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)ccn1					7.15	5.0					
-COc1cc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)ccn1					7.16	5.77					
-COc1cc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1O		4.96									
-COc1cc(C=Cc2ccccc2)nc(N)n1											5.7
-COc1cc(CN(c2c(Cl)c(Cl)cc3nc(O)c(O)nc23)S(C)(=O)=O)ccc1		7.921									
-COc1cc(CN2C(=O)c3c(cccc3)C2=O)c(NC(=O)c2ccccn2)cc1					5.852						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)ccc2)nn1					6.51						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1					6.35						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)ccc2)nn1					6.62						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCCCCCCCN(C)CCCCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1					6.283						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCOCCOCCOCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1					5.92						
-COc1cc(CN2CCN(c3c(OC)cccc3)CC2)ccc1OCc1cn(CCOCCOCCOCCOCCOCCNC(=O)COc2cc(C#Cc3csc(C)n3)cnc2)nn1					6.05						
-COc1cc(CN=C(N)N)cc(CN=C(N)N)c1		5.56									
-COc1cc(CNC(=O)C(=O)c2c[nH]c3ccccc23)ccc1	6.54										
-COc1cc(CNc2c(C#N)c3c(CN(C(=O)c4ccc(F)cc4)CC3)s2)ccc1						5.51					
-COc1cc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)ccn1							7.75				
-COc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cc(C)n1							7.85				
-COc1cc(F)c(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1			5.54						6.22		
-COc1cc(F)c(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(F)c1							8.3				
-COc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1					4.2						
-COc1cc(F)cc(F)c1C1CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1							8.221				
-COc1cc(F)ccc1-c1cc(CNC2CCCC2)cnc1		6.112									
-COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1		6.171									
-COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1		6.581									
-COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1		6.292000000000001									
-COc1cc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)ccc1					6.16						
-COc1cc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)ccc1	5.0	5.0									
-COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl											5.95
-COc1cc(NC(=O)NC2=NC(=O)CN2C)ccc1					5.55						
-COc1cc(NC(=O)Nc2nc(O)cn2C)ccc1					5.553						
-COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2						7.31					6.05
-COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2						7.745					6.19
-COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2						6.84					5.71
-COc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O						7.335					5.93
-COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl											5.841
-COc1cc(NC(=O)c2ccccc2F)ccc1Cl											5.0
-COc1cc(NC(=O)c2ccccn2)ccc1C											9.221
-COc1cc(NC(=O)c2ccccn2)ccc1Cl											8.905
-COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl											7.011
-COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl											6.01
-COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl											6.072
-COc1cc(NC(=O)c2nccnc2)ccc1NC(=O)c1ccccc1Cl											5.75
-COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl											6.202000000000001
-COc1cc(NC(=O)c2ncncc2)ccc1NC(=O)c1ccccc1Cl											5.88
-COc1cc(Nc2c3ncccc3n[nH]2)ccc1Cl											5.96
-COc1cc(Nc2c3ncccc3n[nH]2)ccc1F											5.99
-COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(ccc(Cl)c4)-c3n2)ccc1C(=O)O	6.31										
-COc1cc(Nc2noc3cccnc23)ccc1Cl											5.487
-COc1cc(O)cc(CCc2cc(O)ccc2)c1	4.1433333333333335										
-COc1cc(OC)c(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1	6.489999999999999										
-COc1cc(OC)c(C=NN=C(N)N)cc1		4.54									
-COc1cc(OCC#Cc2ccc(C)cn2)ccc1					5.101						
-COc1cc(OCC#Cc2ccccn2)ccc1					5.811						
-COc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							5.39				
-COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F	7.72										
-COc1cc(S(=O)(=O)C(C)C)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F	7.39										
-COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C(C)C)ccc1F	8.07										
-COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CC2)ccc1F	7.43										
-COc1cc(S(C)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCC2)ccc1F	7.0										
-COc1cc(S(N)(=O)=O)ccc1-c1cc(-c2cnnc3c2ncn3C2CCCC2)ccc1F	7.04										
-COc1cc2c(cc1)-n1cnc(C(=O)OC(C)(C)C)c1CN(C)C2=O	8.47875										
-COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21	8.11										
-COc1cc2c(cc1)CC1C3CCCCC23CCN1C		6.237									
-COc1cc2c(cc1)CCN(CCCCc1ccccc1)CC2CO		6.22									
-COc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		5.06									
-COc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(OC)c2)[nH]3)c1		4.53									
-COc1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1	7.202										
-COc1cc2c(cc1)n(C)c(CN1CCN(c3nc(Cl)ccc3C(F)(F)F)CC1)n2							6.6				
-COc1cc2c(cc1)n(CCCCCCCCCn1c3ccc(OC)cc3c3c1cc[n+](C)c3)c1c2c[n+](C)cc1		5.375									
-COc1cc2c(cc1OC)C(CC(O)c1ccc(Cl)cc1)N(C)CC2		5.52									
-COc1cc2c(cccc2N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)cc1		5.0									
-COc1cc2c(nc(O)c(O)n2)c(O)c1OC		4.7700000000000005									
-COc1cc2c(nc(O)c(O)n2)c(OC(C)=O)c1OC		4.28									
-COc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1		6.89									
-COc1ccc(-c2c(-c3ccc(N(C)C)cc3)n(C)c(=O)c(C#N)c2)cc1	5.789										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cc(C)cs3)c2)cc1	7.2299999999999995										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ccccc3)c2)cc1	6.8975										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cccs3)c2)cc1	7.359999999999999										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3cscc3)c2)cc1	7.2425										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1	7.702500000000001										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)no3)c2)cc1	6.088										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C)ns3)c2)cc1	7.0515										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nc(C4CC4)cs3)c2)cc1	7.2625										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3ncc(C)s3)c2)cc1	6.375										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3nccs3)c2)cc1	7.2475000000000005										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C)n3)c2)cc1	6.2325										
-COc1ccc(-c2c(-c3ccncc3)n(C)c(=O)c(-c3noc(C4CC4)n3)c2)cc1	6.783333333333334										
-COc1ccc(-c2c(-c3cnccc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1	7.6965										
-COc1ccc(-c2c(-c3cnncc3)n(C)c(=O)c(-c3nc(C)cs3)c2)cc1	7.705										
-COc1ccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)cc1							5.94				
-COc1ccc(-c2c(C)c(C(=O)Nc3cccc(C)n3)nn2C)cc1					7.77						
-COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1	6.77										
-COc1ccc(-c2c(O)ccc(CC(C)O)c2)cc1CC(C)O	4.47										
-COc1ccc(-c2c(O)ccc(CCO)c2)cc1CCO	3.977										
-COc1ccc(-c2c3nc(C)cc(C(F)(F)F)n3nc2C)c(F)c1F			5.58						6.19		
-COc1ccc(-c2cc(=O)c3c(ccc(Br)c3)o2)cc1	5.68										
-COc1ccc(-c2cc(=O)c3c(ccc(Cl)c3)o2)cc1	5.900000000000001										
-COc1ccc(-c2cc(C#N)c(O)nc2-c2ccc(N(C)C)cc2)cc1	4.936249999999999										
-COc1ccc(-c2cc(C#N)c(OC)nc2-c2ccc(N(C)C)cc2)cc1	4.936249999999999										
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(C)nc2)c3)cc1							7.96				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(CF)nc2)c3)c(F)c1							8.025				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2ccc(CF)nc2)c3)cc1							8.05				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2)c3)c(F)c1							8.05				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2)c3)cc1							8.15				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2N)c3)c(F)c1							7.665				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cccnc2N)c3)cc1							7.81				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cnc(C#N)nc2)c3)cc1							8.1				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(C)Cc2cnc(C)nc2)c3)c(F)c1							8.185				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C(O)Cc2ccc(Cl)nc2)c3)cc1							8.033				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(C)c3)cc1							6.66				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cccnc2N)c3)c(F)c1							8.05				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cccnc2N)c3)cc1							8.05				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C#N)nc2)c3)c(F)c1							8.22				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C#N)nc2)c3)cc1							8.15				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)c(F)c1							6.84			4.523	
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1							7.66				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1C							7.57				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1F							8.4				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cnc(C)nc2)c3)cc1OC							7.02				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CCc2cncnc2N)c3)cc1							8.15				
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)c(F)c1							7.35			4.523	
-COc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)cc1							7.57				
-COc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(F)c1							6.86				
-COc1ccc(-c2ccc(CN3CC(C)OC3=O)cc2)cc1							7.28				
-COc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1					6.46	5.699					
-COc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1	7.195										
-COc1ccc(-c2cncc(C#Cc3csc(C)n3)c2)cc1					6.65						
-COc1ccc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)cc1C							7.75				
-COc1ccc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3CCOC(C)Cn23)cc1Cl							7.38				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1C							7.91				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1Cl							8.3				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1F							7.02				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F							8.17				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1C							8.28				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1Cl							8.0				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOC(CF)Cn23)cc1OC(F)(F)F							7.73				
-COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3CCOCCn23)cc1C							7.71				
-COc1ccc(-c2nc(-c3cc(C)nc(CF)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F							8.33				
-COc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1F							6.92				
-COc1ccc(-c2nc(-c3ccnc(C)c3)c3CCOC(C)Cn23)cc1OC(F)(F)F							7.72				
-COc1ccc(-c2nn(CCCC(=O)O)c(=N)cc2)cc1	7.3755										
-COc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1	8.22										
-COc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1	7.96										
-COc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1	7.3575										
-COc1ccc(-c2nnc3c4c(cccc4)c(=O)n(Cc4ccccc4)n23)cc1	6.0										
-COc1ccc(-c2nnc3c4c(cccc4)c(OCc4ccccc4)nn23)cc1	6.4575										
-COc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1					6.8	7.502999999999999					
-COc1ccc(-n2c(C)nc(C(=O)Nc3cccc(C)n3)c2C)cc1					6.832000000000001						
-COc1ccc(-n2c(C)nc3c(scc3-c3ccccc3)c2=O)cc1						6.25					
-COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)c(F)c1					6.0	7.852					
-COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.332000000000001	8.2					
-COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1F					6.0	8.41					
-COc1ccc(-n2ccc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1						8.192					
-COc1ccc(-n2ccc3c(sc4c3c(N(C)CCO)ccn4)c2=O)cc1						7.77					
-COc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1						7.921					
-COc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1						7.822					
-COc1ccc(-n2ccc3c(sc4c3c(NCC(C)O)ccn4)c2=O)cc1						6.88					
-COc1ccc(-n2ccc3c(sc4c3c(NCCO)ccn4)c2=O)cc1						6.91					
-COc1ccc(-n2ccc3c(sc4c3c(O)ccn4)c2=O)cc1						6.0					
-COc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)c(C)c1						7.27					
-COc1ccc(-n2ccc3c(sc4c3c(OC)ccn4)c2=O)cc1						8.2					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.0	8.021					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cn1					4.0	7.41					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)c(C)c1						7.822					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)c(F)c1					5.0	8.152000000000001					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1					6.0	8.7					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1F						8.3					
-COc1ccc(-n2cnc3c(sc4c3c(N(C)C3CC3)ncn4)c2=O)cc1						8.3					
-COc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1					5.523	6.73					
-COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)c(F)c1						7.521					
-COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1					5.0	8.221					
-COc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1F						7.72					
-COc1ccc(-n2cnc3c(sc4c3c(NC3CCC3)ncn4)c2=O)cc1						7.221					
-COc1ccc(-n2cnc3c(sc4c3c(NCC(F)(F)F)ncn4)c2=O)cc1						7.62					
-COc1ccc(-n2cnc3c(sc4c3c(NCC3CC3)ncn4)c2=O)cc1						6.811					
-COc1ccc(-n2cnc3c(sc4c3c(NCCCCO)ncn4)c2=O)cc1						8.05					
-COc1ccc(-n2cnc3c(sc4c3c(NCCCO)ncn4)c2=O)cc1						7.921					
-COc1ccc(-n2cnc3c(sc4c3c(NCCO)ncn4)c2=O)cc1						7.07					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(C#N)cc3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(C)cc3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3ccc(F)cc3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3cccc(Cl)c3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3cccc(F)c3)ncn4)c2=O)cc1						6.72					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3ccccc3)ncn4)c2=O)cc1						6.56					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3cccnc3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c(Nc3ccncc3)ncn4)c2=O)cc1						6.0					
-COc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1					5.0	8.31					
-COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1					6.0	8.62					
-COc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1					6.0	8.601					
-COc1ccc(-n2cnc3c(scc3-c3c(C)cccc3)c2=O)cc1						7.35					
-COc1ccc(-n2cnc3c(scc3-c3c(Cl)cccc3)c2=O)cc1						6.66					
-COc1ccc(-n2cnc3c(scc3-c3c(F)cccc3)c2=O)cc1						7.24					
-COc1ccc(-n2cnc3c(scc3-c3c(OC)cccc3)c2=O)cc1						6.13					
-COc1ccc(-n2cnc3c(scc3-c3cc(C)ccc3)c2=O)cc1						6.66					
-COc1ccc(-n2cnc3c(scc3-c3cc(OC)ccc3)c2=O)cc1						6.59					
-COc1ccc(-n2cnc3c(scc3-c3ccc(C)cc3)c2=O)cc1						6.18					
-COc1ccc(-n2cnc3c(scc3-c3ccc4OCOc4c3)c2=O)cc1						5.7					
-COc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1						7.3					
-COc1ccc(-n2nc(C)c3conc3c2=O)cc1		5.0			5.0						
-COc1ccc(-n2nc3c(c2O)cnc2c3cc(Cl)cc2)cc1	7.9375										
-COc1ccc(-n2nc3c(c2O)cnc2c3ccc(OC)c2)cc1	8.9625										
-COc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1	9.716666666666667										
-COc1ccc(-n2nc3c4c(CCCC4)ncc3c2O)cc1	9.36										
-COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1										5.3	
-COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1										5.42	
-COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C(=O)O)C3)cc2)cc1										5.24	
-COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1										5.707000000000001	
-COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1										5.605	
-COc1ccc(C#Cc2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1										5.0	
-COc1ccc(C#Cc2ccc3C(=O)NCCc3c2)cc1					5.0						
-COc1ccc(C(=O)C=Cc2cc(OC)ccc2O)cc1	4.9350000000000005										
-COc1ccc(C(=O)CCCN2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)cc1		6.0									
-COc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1						5.822					
-COc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1	6.365										
-COc1ccc(C(=O)N2CCc3c(C2)sc(NCc2ccc(F)cc2)c3C#N)cc1					5.84						
-COc1ccc(C(=O)N2CCc3c(C2)sc(NCc2cccc(F)c2)c3C#N)cc1					5.33						
-COc1ccc(C(=O)NC2CC(N)(C(=O)O)C3C(C(=O)O)C23)cc1							7.265			8.475	
-COc1ccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)cc1					6.375						
-COc1ccc(C(=O)Nc2c(C#N)c3c(CN(C(=O)c4n[nH]c(C(C)C)c4)CC3)s2)cc1					5.32						
-COc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC											4.523
-COc1ccc(C(O)CC2NCCc3cc(OC)c(OC)cc32)cc1		4.556									
-COc1ccc(C(O)CC2c3cc(OC)c(OC)cc3CCN2C)cc1		5.678999999999999									
-COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1			4.21	4.64							5.19
-COc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-]			5.562	5.38							5.683
-COc1ccc(C)c(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1					5.39	5.0					
-COc1ccc(C2(CCCN3CCc4c(ccc(OCc5ccccc5)c4)C(O)C3)OCC(C)(C)CO2)cc1		6.18									
-COc1ccc(C2(N3CCCCC3)CCCCC2)cc1		5.1000000000000005									
-COc1ccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)cc1					5.66	5.0					
-COc1ccc(C2CCN(c3c(C#N)c(=O)n(CC4CC4)cc3)CC2)cc1							7.01				
-COc1ccc(C2Oc3c(cc(OC)cc3)CC2OC(C)=O)cc1	4.83										
-COc1ccc(C2Oc3c(cccc3)CC2OC(C)=O)cc1	4.86										
-COc1ccc(C=NN=C(N)N)cc1		4.42									
-COc1ccc(C=NN=C(N)N)cc1O		4.2									
-COc1ccc(C=NN=C(N)N)cc1[N+](=O)[O-]		5.11									
-COc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1		7.58									
-COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc1		5.96									
-COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1	6.97										
-COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	7.28										
-COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1	6.79										
-COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		6.34									
-COc1ccc(COc2cc(C)cc(N3C(=O)c4c(cccc4)C3=O)c2)cc1					5.822						
-COc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.72										
-COc1ccc(CS(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1											5.71
-COc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1			6.638						5.0		
-COc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cc1							7.12				
-COc1ccc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cn1							7.32				
-COc1ccc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cn1							7.41				
-COc1ccc(Cl)cc1OC1CN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1	4.301										
-COc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1		7.0									
-COc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1					5.45						
-COc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-COc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1					6.95						
-COc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1							6.05			4.98	
-COc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.55
-COc1ccc(Nc2c3ncccc3n[nH]2)cc1OC(F)F											6.05
-COc1ccc(Nc2nc3c(cn2)C(=O)CC(C)C3)cc1					6.221						
-COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2)cc1					5.747999999999999						
-COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1						7.02					
-COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1	7.25										
-COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1	8.94										
-COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1	8.45										
-COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1	7.86										
-COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1	9.0										
-COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C)C4=O)nc23)c1	6.58										
-COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC(C)C5)C4=O)nc23)c1	7.84										
-COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CC5)C4=O)nc23)c1	7.48										
-COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCC5)C4=O)nc23)c1	8.33										
-COc1ccc(OC)c(-c2cccc3c(N)c4c(CN(C5CCCC5)C4=O)nc23)c1	7.89										
-COc1ccc(OCC#Cc2cccc(C)n2)cc1					6.341						
-COc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							5.66				
-COc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(Cl)c2)cc1		5.28									
-COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1	4.5										
-COc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1											6.77
-COc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1Cl											6.58
-COc1ccc(SCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1			5.5						5.5		5.0
-COc1ccc2CCC(NCCCc3ccccc3)CCc2c1		7.99									
-COc1ccc2CCN(C(=O)c3nn4cc(Br)cnc4c3)CCc2n1					6.64						
-COc1ccc2CN(c3c(Cl)cc(NC(=O)c4c(N)cccn4)cc3)C(=O)c2c1											8.0
-COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.66
-COc1ccc2c(=NO)cc(-c3ncc4ccccc4c3)oc2c1											5.94
-COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21	8.66										
-COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2O		7.8149999999999995									
-COc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O		7.0815									
-COc1ccc2c(c1)n(C)c(=O)n2CC(C)(C)C							4.89				
-COc1ccc2c(c1)ncc1c(O)n(-c3ccccc3)nc12	8.884										
-COc1ccc2c3c(oc2c1)C(=O)Nc1[n+](cccc1)C3	5.665										
-COc1ccc2nc(-n3c(O)nc4c3CCCC4)oc2c1	6.62										
-COc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1	6.21										
-COc1ccc2nc(C=Cc3cc([N+](=O)[O-])ccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1		4.503500000000001									
-COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1	6.59										
-COc1ccc2ncc3c(O)n(-c4ccccc4)nc3c2c1	9.542										
-COc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1											5.86
-COc1ccc2oc(-n3c(O)nc4c3CCCC4)nc2c1	7.09										
-COc1ccc2oc(-n3c(O)nc4ccccc43)nc2c1	7.04										
-COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1	7.599999999999999										
-COc1cccc(-c2c(C#N)c(=O)n(CCC(C)C)cc2)c1							5.5				
-COc1cccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)c1	7.580000000000001										
-COc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1		5.54									
-COc1cccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)c1	6.83										
-COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1	8.844999999999999										
-COc1cccc(-c2nc(-c3ncccc3)no2)c1					6.27						
-COc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1	7.4275										
-COc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1					6.81						
-COc1cccc(-c2noc(C3CCCN(C(=O)C4CCC4)C3)n2)c1					5.75						
-COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1					7.1						
-COc1cccc(C#Cc2nncc(C)n2)c1					6.51						
-COc1cccc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)c1					6.8						
-COc1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)c1					6.101						
-COc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1					5.0						
-COc1cccc(C(=O)Nc2cccc(C)n2)c1					4.34						
-COc1cccc(C2=NCC(=O)N3CCc4c(cc(Cl)cc4OC)C3=C2)c1					6.26	5.0					
-COc1cccc(C2=NCC(=O)N3CCc4c(ccc(Cl)c4OC)C3=C2)c1					7.09	6.28					
-COc1cccc(C2=NCC(=O)N3CCc4c(ccc(OC)c4OC)C3=C2)c1						5.19					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4-c4ccccc4)C3=C2)c1					5.89	5.0					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4Br)C3=C2)c1					5.92	5.55					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)c1					6.63	5.0					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C(C)=O)C3=C2)c1					7.46	5.64					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)c1					7.85	5.35					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4CN(C)C)C3=C2)c1					6.16	5.0					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1					6.82	5.85					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)c1					7.5	5.0					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)c1					6.8	5.425					
-COc1cccc(C2=NCC(=O)N3CCc4c(cccc4OC)C3=C2)n1					6.22	5.0					
-COc1cccc(C2OC(=O)NC2c2cc(C#CC3CC(F)(F)C3)cnc2)c1					7.33						
-COc1cccc(C2OC(=O)NC2c2cc(C#Cc3ccccc3)ccc2)c1					7.715						
-COc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1							6.37			6.8	
-COc1cccc(CN=C(N)C=Cc2ccccc2)c1		8.72									
-COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1		7.825									
-COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1	6.79										
-COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1	7.419999999999999										
-COc1cccc(COc2ccc(-c3nn(CCCC(=O)O)c(=N)cc3)cc2)c1	8.15										
-COc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1	6.717499999999999										
-COc1cccc(F)c1C1=NCc2c(nc(Nc3ccc(C(=O)O)cc3)nc2)-c2c1cc(Cl)cc2	6.82										
-COc1cccc(F)c1C1CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1							8.131				
-COc1cccc(N(Cc2cnccc2)S(=O)(=O)CC(F)(F)F)c1							5.68				
-COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1					7.29						
-COc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1					5.41						
-COc1cccc(NC(=O)c2ncccc2)c1											7.86
-COc1cccc(Nc2c3ncccc3n[nH]2)c1											6.77
-COc1cccc(OCC#Cc2c(C)cccn2)c1					5.0						
-COc1cccc(OCC#Cc2cc(C)ccn2)c1					5.0						
-COc1cccc(OCC#Cc2cccc(C)n2)c1					6.401	5.0					
-COc1cccc(OCC#Cc2cccc(OC)n2)c1					5.0						
-COc1cccc(OCC#Cc2ccccn2)c1						5.0					
-COc1cccc(OCC#Cc2ccncc2)c1					5.0						
-COc1cccc(OCC#Cc2cnccn2)c1					5.0						
-COc1cccc(OCC#Cc2nccs2)c1					5.0						
-COc1cccc2c1CCN1C(=O)CN=C(c3ccc(C)o3)C=C21					7.62	6.68					
-COc1cccc2c1CCN1C(=O)CN=C(c3cccc(C(F)(F)F)c3)C=C21					5.66	5.46					
-COc1cccc2c1CCN1C(=O)CN=C(c3cccc(O)n3)C=C21						5.05					
-COc1cccc2c1CCN1C(=O)CN=C(c3cccs3)C=C21					7.36	7.82					
-COc1cccc2c1CCN1C(=O)CN=C(c3ccnc(N(C)C)c3)C=C21					5.41	5.28					
-COc1cccc2c1CCN1C(=O)CN=C(c3cnc4c(c3)OCCN4C)C=C21					5.26						
-COc1cccc2c1CCN1C(=O)CN=C(c3nn(C)cc3)C=C21					6.77	6.16					
-COc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21					6.46	5.51					
-COc1ccccc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C							6.74				
-COc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	8.225000000000001										
-COc1ccccc1-n1ccc2c(sc3c2c(OC)ccn3)c1=O						6.0					
-COc1ccccc1C#Cc1csc(C)n1					7.44						
-COc1ccccc1C(=O)NC1CC(N)(C(=O)O)C2C(C(=O)O)C12							7.2			7.89	
-COc1ccccc1C(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2)ccc1					7.74						
-COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O					4.0						
-COc1ccccc1C(=O)n1ccc2cc(NC(=O)c3ccccn3)ccc21											5.851
-COc1ccccc1C1CCN(Cc2nc3c(cccc3)n2C)CC1							6.06				
-COc1ccccc1C1CN=C(c2cc(Cl)c(OC(F)(F)F)cc2)N1		7.072									
-COc1ccccc1CN1Cc2c(ccc(OC(F)(F)F)c2)C1=N		8.335									
-COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC		6.86									
-COc1ccccc1Cn1cc2cc(OC(F)(F)F)ccc2c1N		8.443999999999999									
-COc1ccccc1N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O					6.2						
-COc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1					5.0						
-COc1ccccc1OCC1CN(c2ccccc2)C(=O)O1							4.523				
-COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.405										
-COc1cccnc1Nc1nc(C)ccc1					6.34						
-COc1ccnc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1					6.435						
-COc1ccnc(N2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)c1					7.08						
-COc1ccnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											7.0
-COc1ccnc2c1c1c(s2)c(=O)n(C2CCCCC2)cc1						8.27					
-COc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1	5.720000000000001										
-COc1cnc(N2CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)nc1					7.28						
-COc1cnc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1					6.21						
-COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1							7.51				
-COc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					7.442	6.72					
-COc1nc(CSc2c3C(=O)CC(C)Cc3c(-c3nccs3)cc2)ns1	7.705										
-COc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											6.189
-COc1nc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)cc1	9.42										
-COc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1							7.48				
-COc1ncc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cn1					7.03						
-COc1ncc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cn1					6.51						
-COc1ncc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1					5.0	7.7					
-COc1ncc(C#Cc2csc(C)n2)cc1					6.37						
-COc1ncc(CNc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1							8.34				
-COc1ncc(CNc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2F)cc1							8.487				
-COc1ncc(CNc2ccc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.587000000000001				
-COc1ncc(COc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.787000000000001				
-COc1ncc(COc2ccc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2F)cc1							7.707000000000001				
-COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1							7.925				
-COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1							8.0				
-COc1ncc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cn1							7.39				
-COc1ncc2[nH]c3c(cccc3)c2c1	6.91										
-COc1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	7.5105										
-COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl							7.25				
-COc1ncccc1-c1cc(-n2cnc3cc(C(C)(C)O)ccc32)ccn1	8.92										
-COc1ncccc1C#Cc1csc(C)n1					6.641						
-COc1ncccc1Cc1ccc2c(-c3cn(C)nc3)cc(C(N)=O)nc2c1F							7.68				
-COc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1					7.96	6.29					
-COc1nn2c(-c3ccccc3)nnc2c2c1cccc2	6.995										
-CP(=O)(O)C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12		6.9082857142857135									
-CP(=O)(O)C1CCNCC1	3.406166666666667										
-CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(C(F)(F)F)ccc1Cl					5.35						
-CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1)c1c(Cl)cccc1					6.11						
-CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl					5.86						
-CS(=O)(=O)N(CC(=O)O)c1c2nc(O)c(O)nc2cc(Cl)c1Cl		8.7									
-CS(=O)(=O)N(CC1CCCCO1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12		7.41									
-CS(=O)(=O)N(CC1CCCO1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12		7.23									
-CS(=O)(=O)N(CCC(F)(F)F)c1c2nc(O)c(O)nc2cc(Cl)c1Cl		7.79									
-CS(=O)(=O)N(CCCO)c1c2nc(O)c(O)nc2cc(Cl)c1Cl		7.39									
-CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2nc(O)c(O)nc12		7.35									
-CS(=O)(=O)N1CCOc2c1ncc(COc1ccccc1)c2					6.215						
-CS(=O)(=O)NC(=O)c1nc2c(cc(Cl)c(Cl)c2)nc1O		6.44									
-CS(=O)(=O)NC1C=CC(CCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)=CC1		5.24									
-CS(=O)(=O)Nc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2		7.24									
-CS(=O)(=O)Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		9.155									
-CS(=O)(=O)Nc1ccc(CCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1		5.44									
-CS(=O)(=O)Nc1ccc(CCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1		7.3									
-CS(=O)(=O)Nc1ccc(CCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1		6.12									
-CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1		7.19									
-CS(=O)(=O)Nc1ccc(CCC(=O)NN2C(=O)c3c(cc(Cl)c(Cl)c3)C2=O)cc1		4.38									
-CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1		7.55									
-CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1		6.28									
-CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1		6.57									
-CS(=O)(=O)Nc1ccc(CCC(=O)NNCCc2cc(Cl)c(Cl)cc2)cc1		5.32									
-CS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2cc(Cl)c(Cl)cc2)cc1		5.73									
-CS(=O)(=O)Nc1ccc(CCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1		6.2									
-CS(=O)(=O)Nc1ccc(CCCNCCNc2cc(Cl)c(Cl)cc2)cc1		7.72									
-CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3cc(Cl)c(Cl)cc3)CC2)cc1		6.78									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCC=Cc2cc(Cl)c(Cl)cc2)cc1		7.14									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1		6.71									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2cc(Cl)c(Cl)cc2)cc1		7.19									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2cc(Cl)c(Cl)cc2)cc1		7.27									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCCOc2cc(Cl)c(Cl)cc2)cc1		6.42									
-CS(=O)(=O)Nc1ccc(OCC(=O)NCCSc2cc(Cl)c(Cl)cc2)cc1		6.44									
-CS(=O)(=O)Nc1ccc(OCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1		6.14									
-CS(=O)(=O)Nc1ccc(OCCNCC(=O)Nc2cc(Cl)c(Cl)cc2)cc1		5.96									
-CS(=O)(=O)Nc1ccc(OCCNCCNc2cc(Cl)c(Cl)cc2)cc1		7.41									
-CS(=O)(=O)Nc1ccc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc2c1		8.574									
-CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21	7.27										
-CS(=O)(=O)Nc1nccc(C=Cc2ccccc2)n1											4.523
-CS(=O)(=O)c1cc(Nc2c3ncccc3n[nH]2)ccc1F											5.04
-CS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1	7.36										
-CS(=O)(=O)c1ccc(C(=N)NCc2ccccc2)cc1		5.46									
-CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-CS(=O)(=O)c1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1			4.0	4.0					4.0		4.23
-CS(=O)(=O)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											5.11
-CS(=O)(=O)c1ccc(Nc2c3ncccc3n[nH]2)cc1F											4.94
-CS(=O)(=O)c1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1							6.72			6.747999999999999	
-CSC1SC(C(=O)c2ccc(Cl)cc2)C2CC(C)(C)CC(=O)C12	6.46										
-CSC1SC(C(=O)c2ccc(Cl)cc2)C2CCCC(=O)C12	6.25										
-CSC1SC(C(=O)c2cccc([N+](=O)[O-])c2)C2CC(C)(C)CC(=O)C12	5.0										
-CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.51										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccc[nH]2)s1	6.65975										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccccc2)s1	6.523										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2ccncc2)s1	7.4075										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2cnccc2)s1	7.5025										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2cncs2)s1	7.0425										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2n[nH]cc2)s1	7.5975										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2nc(C)no2)s1	6.8015										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)cc1	7.2025										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2ncccc2)s1	7.824999999999999										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2nccs2)s1	7.640000000000001										
-CSc1c2C(=O)CC(C)(C)Cc2c(-c2nn(C)cn2)s1	7.1475										
-CSc1c2C(=O)CC(C)Cc2c(-c2ncccc2)cc1	7.475										
-CSc1cc(NC(=O)c2ncccc2)ccc1											8.31
-CSc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1	7.28										
-CSc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1					5.0	8.1					
-CSc1ccc(Cl)c(NC(=N)N(C)c2cc([S+](C)[O-])ccc2)c1		6.622999999999999									
-CSc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-CSc1ccc(OCc2c(C)onc2-c2ccccc2)nc1	7.75										
-CSc1cccc(N(C)C(=N)Nc2cc(SC)ccc2Cl)c1		8.71									
-CSc1cccc(N(C)C(=N)Nc2cc([S+](C)[O-])ccc2Cl)c1		6.08									
-CSc1cccnc1Nc1nc(C)ccc1					6.101						
-CSc1nc2c(cnc3c2c2c(s3)c(=O)n(-c3ccc(C)cc3)cn2)s1						6.2					
-CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)n1	5.665										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1	6.599999999999999										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C(F)(F)F)cccc1	7.05										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1c(C)cccc1	7.3										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1	6.16										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)ccc1	6.0										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)ccc1	6.400000000000001										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)c(F)cc1	6.0										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(Cl)ccc1	6.099999999999999										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc2c(cc1)OCO2	6.91										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C#N)cc1	5.82										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1	6.82										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(F)(F)F)cc1	5.900000000000001										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1	6.919999999999999										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)s1	7.64										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1	6.46										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1	6.52										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1	7.05										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1	6.96										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nccnc1	7.06										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br	6.419999999999999										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C#N	8.1										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O	6.16										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Cl	6.13										
-CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1I	6.8										
-C[N+](C)([O-])c1c2c(ncc1)sc1c2ncn(N2CCCCCC2)c1=O					4.0	6.78					
-C[Si](C)(C)C#Cc1ccc(-n2nc3c(c2O)cnc2c3cccc2)cc1	7.779999999999999										
-C[Si](C)(C)C#Cc1ccc2[nH]c3c(cc(C(=O)OCC(F)(F)F)nc3)c2c1	6.687166666666666										
-C[n+]1cc2c(cc1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1c[n+](C)cc2		5.695									
-C[n+]1cc2c(cc1)n(CCCCCCn1c3ccccc3c3c[n+](C)ccc31)c1c2cccc1		4.685									
-C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2		6.255									
-C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCn1c2ccccc2c2c1cc[n+](C)c2		6.03									
-C[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCn1c2ccccc2c2c1cc[n+](C)c2		5.28									
-C[n+]1ccc2c3c(cccc3)n(CCCCCCCCCCCCn3c4ccccc4c4c3c[n+](C)cc4)c2c1		5.305									
-Cc1c(-c2c(C)sc(Nc3ncccc3)n2)cn[nH]1											5.0
-Cc1c(-c2c3cnnc(-c4ccccc4F)n3nc2OCc2ncnn2C)cccc1	7.64										
-Cc1c(-c2c[nH]nc2)nc(Nc2ncccc2)s1											7.89
-Cc1c(-c2cc(C(N)=O)nc3c2cccc3)cnn1-c1ccccc1							6.18				
-Cc1c(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)cnn1C							6.57				
-Cc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.92						
-Cc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cnccc1						7.66					
-Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cnccc1						6.06					
-Cc1c(-c2ccc(C(=O)N3CCCC3)cc2)nnn1-c1cnccc1						5.747999999999999					
-Cc1c(-c2ccc(C(=O)NC(C)C)cc2)nnn1-c1cnccc1						6.68					
-Cc1c(-c2ccc(C(=O)OC(C)C)cc2)nnn1-c1cnccc1						7.481					
-Cc1c(-c2ccc(C(=O)c3ccccc3)cc2)nnn1-c1cccnc1						5.41					
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cc(Cl)ccn1					6.71						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccc(Cl)cn1					6.74						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccc(F)cn1					7.99						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(C(F)(F)F)n1					6.89						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(Cl)n1					7.79						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(Cl)c1					7.25						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(Cl)n1					8.15						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccnc(F)c1					7.38						
-Cc1c(-c2ccc(F)cc2)n(C)nc1C(=O)Nc1ccncc1					6.521						
-Cc1c(-c2ccc3C(=O)C(C)(C)Cc3c2)nnn1-c1cnccc1						7.96					
-Cc1c(-c2ccc3C(=O)C(C4CC4)Cc3c2)nnn1-c1cnccc1						8.59					
-Cc1c(-c2ccc3C(=O)CCc3c2)nnn1-c1cnccc1						7.16					
-Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1c(F)nccc1					5.64	8.26					
-Cc1c(-c2ccc3C(=O)N(C(C)C)Cc3c2)nnn1-c1ccc(F)cc1F			5.0			5.0	5.0				
-Cc1c(-c2ccc3C(=O)N(C4CC4)Cc3c2)nnn1-c1c(F)nccc1					5.27	8.46					
-Cc1c(-c2ccc3[nH]ccc3c2)nnn1-c1cnccc1						6.601					
-Cc1c(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc(CO)cc1							7.07				
-Cc1c(-c2ccc3ccccc3c2)nnn1-c1cnccc1						6.521					
-Cc1c(-c2ccc3ncccc3c2)nnn1-c1c(F)nccc1						8.442					
-Cc1c(-c2ccc3ncccc3c2)nnn1-c1cnccc1						8.31					
-Cc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.95						
-Cc1c(-c2cccc(C(=O)OC(C)C)c2)nnn1-c1cnccc1						5.62					
-Cc1c(-c2ccccc2)sc(N)c1C#N				4.15							
-Cc1c(-c2ccccc2)sc(N)c1C(=O)OC(C)(C)C				5.442							
-Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccccc1				4.97							
-Cc1c(-c2ccnc3ccccc23)cnn1-c1ccccc1											6.172000000000001
-Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1		5.01									
-Cc1c(-c2cncnc2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1		5.85									
-Cc1c(-c2csc(Nc3ncccc3)n2)cn[nH]1											7.251
-Cc1c(-c2nn(C)c3nc(OCc4ccccn4)cnc23)cncc1Cl					8.89						
-Cc1c(-c2nn(C)c3nc(OCc4ccccn4)cnc23)cnn1C					8.091000000000001						
-Cc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1	6.6899999999999995										
-Cc1c(-n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn2)cccc1					6.06	7.96					
-Cc1c(-n2cnc3c(scc3-c3ccccc3)c2=O)cccc1						6.3					
-Cc1c(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)cccc1					5.021	6.46					
-Cc1c(Br)ccc(NC(=O)c2ccco2)c1											5.301
-Cc1c(Br)sc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1					4.523						
-Cc1c(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cccc1	6.7524999999999995										
-Cc1c(C(=O)NC(C)C)sc(C=Cc2c(-c3ccc(F)cc3)nnn2C)n1	7.95										
-Cc1c(C(=O)NC(C)C)sc(C=Cc2c(-c3ccccn3)nnn2C)n1	7.68										
-Cc1c(C(=O)NC(C)C)sc(C=Cc2c(C)nnn2-c2ccc(F)cc2)n1	8.17										
-Cc1c(C(=O)NC2CCCCC2)sc2nc3c(cc(N)cc3)n12						7.8					
-Cc1c(C(=O)NC2CCOCC2)cc(Br)c(OCc2c(C)onc2-c2ccccc2)n1	7.33										
-Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(-c3ccc(F)cc3)nnn2C)n1	8.21										
-Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(-c3ccccn3)nnn2C)n1	7.9										
-Cc1c(C(=O)NC2CCOCC2)sc(C=Cc2c(C)nnn2-c2ccc(F)cc2)n1	8.59										
-Cc1c(C(=O)Nc2c(C(F)(F)F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1						5.0					5.0
-Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1						5.185					
-Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(cccc4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2c(Cl)c(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2c(Cl)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1						7.54					5.0
-Cc1c(C(=O)Nc2c(F)cc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1						7.895					5.0
-Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(cccc4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2c(F)cc(N3Cc4c(cccc4Cl)C3=O)cc2)occ1						5.9					
-Cc1c(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cccc1					5.0						
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)C4CCCCC4C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)CCc4c3cccc4)cc2)occ1						5.885					
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c(cccc4)C3=O)cc2)occ1						6.635					
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c(cccc4)CC3=O)cc2)occ1						5.45					
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)Cc4c3cccc4)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3C(=O)c4c(cccc4)C3(C)C)cc2)occ1						5.155					
-Cc1c(C(=O)Nc2cc(Cl)c(N3CCOc4c3cccc4)cc2)occ1						5.44					
-Cc1c(C(=O)Nc2cc(Cl)c(N3CCOc4c3cccn4)cc2)occ1						5.58					
-Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3)cc2)occ1						5.745					
-Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3=O)cc2)occ1						6.11					
-Cc1c(C(=O)Nc2cc(Cl)c(N3CCc4c3cccc4)cc2)occ1						5.24					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3)nccc4)cc2)occ1						5.02					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)nccc1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)ncs1						5.325					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1						6.315					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(ccc(Cl)c4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3)cc2)occ1						5.75					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)nccc1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)ncs1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)occ1						5.43					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Br)C3=O)cc2)occ1						6.41					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C#N)C3=O)cc2)occ1						5.675					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C(F)(F)F)C3=O)cc2)occ1						5.945					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4C)C3=O)cc2)occ1						5.965					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)nccc1						5.855					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)ncs1						6.02					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4Cl)C3=O)cc2)occ1						6.715					5.0
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4F)C3=O)cc2)occ1						6.055					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccn4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(nccc4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(nccn4)C3=O)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccccc3)cc2)occ1						5.0					
-Cc1c(C(=O)Nc2cc(Cl)c(NC(=O)c3ccccc3C(=O)O)cc2)occ1						6.03					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(C(F)(F)F)c2)occ1						6.275					5.24
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)[nH]nc1						5.335					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(Cl)c2)occ1						7.61					6.21
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c(F)c2)occ1						7.58					6.54
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)c3ccccc23)occ1						7.8					6.37
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2)occ1						7.795					6.46
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)cc2F)occ1					5.0	6.09					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1						7.02					5.3
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(C(F)(F)F)c2)occ1						6.975					5.61
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)nco1						5.885					6.01
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)ncs1						5.86					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(Cl)c2)occ1						7.48					5.94
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c(F)c2)occ1						7.555					6.58
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)c3ccccc23)occ1						7.645					6.29
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)cc2)occ1						7.54					6.32
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1						7.46					5.95
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(C(F)(F)F)c2)occ1						6.81					5.54
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)nco1						6.195					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)ncs1						6.73					6.32
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(Cl)c2)occ1						7.5					5.955
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c(F)c2)occ1						7.46					6.17
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)c3ccccc23)occ1						7.705					6.09
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2)occ1						7.36					6.42
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)cc2F)occ1					5.0	6.155					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1						6.7					5.45
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)nco1						7.265					6.39
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)ncs1						7.295					5.7
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)c(Cl)c2)occ1						7.09					5.645
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(Cl)cc4)C3=O)cc2F)occ1					5.0	6.775					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)nco1						6.85					6.19
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)ncs1						7.2					6.51
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)c(Cl)c2)occ1						7.62					6.145
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cc(F)cc4)C3=O)cc2F)occ1					5.0	6.21					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(C(F)(F)F)c2)occ1						6.91					5.18
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)[nH]cc1						5.465					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)cc[nH]1						5.0					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ccs1						5.82					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)nco1						5.83					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ncs1						7.24					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)occ1						7.01					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)ocn1						5.0					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)scc1						5.72					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)scn1						5.0					
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(F)c2)occ1						7.655					6.58
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c3ccccc23)occ1						7.695					6.45
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1						7.32					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1						6.41					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(cncc4)C3=O)c(Cl)c2)occ1						7.005					5.0
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)nco1						5.77					5.6
-Cc1c(C(=O)Nc2ccc(N3C(=O)c4c(nccc4)C3=O)c(Cl)c2)ncs1						6.72					5.0
-Cc1c(C(=O)Nc2ccc(N3Cc4c(C3=O)c(Cl)ccc4)cc2)occ1						6.45					
-Cc1c(C(=O)Nc2ccc(N3Cc4c(cccc4)C3=O)cc2)occ1						5.81					
-Cc1c(C(=O)Nc2ccc(N3Cc4c(cccc4Cl)C3=O)cc2)occ1						6.61					
-Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(C)ccc4)nc2)occ1						6.12					5.35
-Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(Cl)ccc4)nc2)occ1						6.68					5.6
-Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(C3=O)c(F)ccc4)nc2)occ1						5.27					5.0
-Cc1c(C(=O)Nc2cnc(N3C(=O)c4c(cccc4)C3=O)nc2)occ1						5.335					5.33
-Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cc2)occ1						5.0					5.0
-Cc1c(C(=O)Nc2ncc(N3C(=O)c4c(cccc4)C3=O)cn2)occ1						5.0					5.0
-Cc1c(C(=O)O)c(N)c2c3c(cccc3)n(C)c2n1	4.0										
-Cc1c(C(=O)O)cnc(N)c1	5.44										
-Cc1c(C(=O)OCc2ccccc2)c(N)c2c3c(cccc3)n(C)c2n1	4.523										
-Cc1c(C(C)OC(=O)N(C)c2ccccc2)sc2ncnn12					4.5						
-Cc1c(C(C)OC(=O)NC2CCCCC2)oc2ncnn12					5.5						
-Cc1c(C(C)OC(=O)Nc2c(Cl)cccc2)oc2ncnn12					6.3						
-Cc1c(C(C)OC(=O)Nc2cc(Cl)c(Cl)cc2)oc2ncnn12					5.3						
-Cc1c(C(C)OC(=O)Nc2cc(Cl)ccc2)oc2ncnn12					7.4						
-Cc1c(C(C)OC(=O)Nc2cc(F)ccc2)oc2ncnn12					7.3						
-Cc1c(C(C)OC(=O)Nc2cc(F)ccc2)sc2nncn12					7.332999999999999						
-Cc1c(C(C)OC(=O)Nc2ccc(Cl)cc2)oc2ncnn12					5.6						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(-c3ccc(F)cc3)nn12					8.0						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(-c3cccs3)nn12					8.1						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(C(F)(F)F)nn12					7.4						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(C3CC3)nn12					7.9						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2nc(Cl)nn12					8.0						
-Cc1c(C(C)OC(=O)Nc2ccccc2)oc2ncnn12					7.2						
-Cc1c(C(C)OC(=O)Nc2ccccc2)sc2nccn12					7.9						
-Cc1c(C(C)OC(=O)Nc2ccccc2)sc2ncnn12					7.4						
-Cc1c(C(C)OC(=O)Nc2ccccc2)sc2nncn12					6.9						
-Cc1c(C(C)OC(=O)Nc2cnccc2)sc2ncnn12					6.5						
-Cc1c(C(N)C(=O)O)cc(O)c(C(=O)O)c1					3.523	4.14					
-Cc1c(C(N)C(=O)O)ccc(C(=O)O)c1						5.1					
-Cc1c(C(N)C(=O)O)ccc(C(=O)O)c1O						5.22					
-Cc1c(C(OCCN(C)C)c2ccccc2)cccc1		5.22									
-Cc1c(C)c(-c2cn(-c3ccccc3)nc2)ccn1											5.921
-Cc1c(C)c(C=Cc2ccccc2)nc(N)n1											5.8
-Cc1c(C)c2c(cc1)C(=O)N(Cc1cc(Br)ccc1NC(=O)c1ccccn1)C2=O					4.0						
-Cc1c(C)c2c(cc1)C(=O)N(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C2=O					5.66						
-Cc1c(C)c2c(cc1OCc1cc(CSc3ccncc3)ccc1)CC(C1CCCC1)C2=O							6.223				
-Cc1c(C)c2c(cc1OCc1cccc(-c3ccc(C(=O)O)cc3)c1)CC(C1CCCC1)C2=O							7.218				
-Cc1c(C)cc2nc(O)c(O)nc2c1		5.4799999999999995									
-Cc1c(C2=CCC(C(=O)N(C)C(C)C)CC2)nnn1-c1c(F)nccc1						8.22					
-Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1c(F)nccc1					5.21	8.251					
-Cc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ncccc1F					6.77	8.152000000000001					
-Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1F					7.4	8.142000000000001					
-Cc1c(C2CC(F)CN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1					6.87						
-Cc1c(C2CC(O)CN2C(=O)C2CCC2)cnc(-c2cc(Cl)ccc2)c1					6.412000000000001						
-Cc1c(C2CC(O)CN2C(=O)c2cnccn2)cnc(-c2cc(Cl)ccc2)c1					6.172000000000001						
-Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1		6.55									
-Cc1c(C2CC2)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1		6.57									
-Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2cc1		7.39									
-Cc1c(C2CC2C#N)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1		7.525									
-Cc1c(C2CC2CO)n2c(=O)cc(COc3ccc(F)cc3)nc2s1		6.42									
-Cc1c(C2CC2CO)n2c(=O)cc(Cc3c(F)c(C(F)(F)F)ccc3)nc2s1		6.34									
-Cc1c(C2CC2CO)n2c(=O)cc(Cc3cccc(C#N)c3F)nc2s1		6.05									
-Cc1c(C2CC2CO)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3Cl)nc2s1		7.75									
-Cc1c(C2CCCN2C(=O)C2C=S(O)(O)=CC2)cnc(-c2cc(Cl)ccc2)c1					5.721						
-Cc1c(C2CCCN2C(=O)C2CCC2)cnc(-c2cccc(Cl)c2)c1					7.89						
-Cc1c(C2CCCN2C(=O)C2CCS(=O)(=O)C2)cnc(-c2cccc(Cl)c2)c1					5.44						
-Cc1c(C2CCCN2C(=O)c2ccccn2)cnc(-c2cc(Cl)ccc2)c1					6.711						
-Cc1c(C2CCCN2C(=O)c2cccnc2)cnc(-c2cc(Cl)ccc2)c1					6.658						
-Cc1c(C2CCCN2C(=O)c2ccncc2)cnc(-c2cc(Cl)ccc2)c1					6.96						
-Cc1c(C2CCCN2C(=O)c2ccncn2)cnc(-c2cc(Cl)ccc2)c1					6.915						
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-Cc1c(COc2ccc(C(=O)NCC(C)(C)O)cn2)c(-c2ccccc2)no1	8.64										
-Cc1c(COc2ccc(C(=O)NCC(C)O)cn2)c(-c2ccccc2)no1	8.6										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)C(F)(F)F)cn2)c(-c2ccccc2F)no1	8.01										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(Cl)cc2)no1	8.68										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)c(F)c2)no1	8.57										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)cc2)no1	8.92										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccc(F)cn2)no1	9.52										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccc(Cl)c2)no1	8.11										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccc(F)c2)no1	8.52										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccc2)no1	8.66										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccc2F)no1	8.35										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccccn2)no1	8.96										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2cccnc2)no1	7.62										
-Cc1c(COc2ccc(C(=O)NCC(F)(F)F)cn2)c(-c2ccncc2)no1	8.23										
-Cc1c(COc2ccc(C(=O)NCC(F)F)cn2)c(-c2ccccc2)no1	8.7										
-Cc1c(COc2ccc(C(=O)NCC(O)C(F)(F)F)cn2)c(-c2ccccc2)no1	8.64										
-Cc1c(COc2ccc(C(=O)NCC(O)CO)cn2)c(-c2ccccc2)no1	8.7										
-Cc1c(COc2ccc(C(=O)NCC3(O)CC3)cn2)c(-c2ccccc2)no1	8.68										
-Cc1c(COc2ccc(C(=O)NCC3CC(=O)NO3)cn2)c(-c2ccccc2)no1	7.71										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccc(Cl)cc2)no1	8.89										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccc(F)cc2)no1	8.82										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccc(Cl)c2)no1	8.09										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccc(F)c2)no1	8.49										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccccc2)no1	8.41										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccccn2)no1	8.82										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2cccnc2)no1	7.53										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(-c2ccncc2)no1	8.39										
-Cc1c(COc2ccc(C(=O)NCC3CC3)cn2)c(C2CCC(F)CN2)no1	9.4										
-Cc1c(COc2ccc(C(=O)NCC3CCCOC3)cn2)c(-c2ccccc2)no1	7.93										
-Cc1c(COc2ccc(C(=O)NCC3CCOC3)cn2)c(-c2ccccc2)no1	8.34										
-Cc1c(COc2ccc(C(=O)NCCC(C)O)cn2)c(-c2ccccc2)no1	8.64										
-Cc1c(COc2ccc(C(=O)NCCCCCCO)cn2)c(-c2ccccc2)no1	8.09										
-Cc1c(COc2ccc(C(=O)NCCCCCO)cn2)c(-c2ccccc2)no1	8.39										
-Cc1c(COc2ccc(C(=O)NCCCCO)cn2)c(-c2ccccc2)no1	8.59										
-Cc1c(COc2ccc(C(=O)NCCCO)cn2)c(-c2ccccc2)no1	8.66										
-Cc1c(COc2ccc(C(=O)NCCF)cn2)c(-c2ccccc2)no1	8.36										
-Cc1c(COc2ccc(C(=O)NCCN3CCNC3=O)cn2)c(-c2ccccc2)no1	8.37										
-Cc1c(COc2ccc(C(=O)NCCNC(=O)OC(C)(C)C)cn2)c(-c2ccccc2)no1	8.08										
-Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccc(F)cn2)no1	9.4										
-Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccccc2)no1	8.59										
-Cc1c(COc2ccc(C(=O)NCCO)cn2)c(-c2ccncn2)no1	8.22										
-Cc1c(COc2ccc(C(=O)NCCO)cn2)c(C2CCCCN2)no1	9.3										
-Cc1c(COc2ccc(C(=O)NCCOC(C)C)cn2)c(-c2ccccc2)no1	7.38										
-Cc1c(COc2ccc(C(=O)NCc3cc(C(C)C)no3)cn2)c(-c2ccccc2)no1	7.35										
-Cc1c(COc2ccc(C(=O)NCc3ccccn3)cn2)c(-c2ccccc2)no1	8.34										
-Cc1c(COc2ccc(C(=O)NCc3n[nH]c(C4CC4)c3)cn2)c(-c2ccccc2)no1	7.67										
-Cc1c(COc2ccc(C(=O)NCc3nc(C#N)cs3)cn2)c(-c2ccccc2)no1	8.55										
-Cc1c(COc2ccc(C(=O)NCc3nc(C4CC4)no3)cn2)c(-c2ccccc2)no1	7.88										
-Cc1c(COc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c(-c2ccccc2)no1	7.92										
-Cc1c(COc2ccc(C(=O)Nc3ccccc3)cn2)c(-c2ccccc2)no1	7.42										
-Cc1c(COc2ccc(C(=O)Nc3cn(C)nc3)cn2)c(-c2ccc(Cl)cc2)no1	9.1										
-Cc1c(COc2ccc(C(=O)Nc3cn(C)nc3)cn2)c(-c2ccccc2)no1	8.96										
-Cc1c(COc2ccc(C(=O)Nc3nn(C)cc3)cn2)c(-c2ccccc2)no1	8.29										
-Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(Cl)cc2)no1	7.65										
-Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(Cl)cn2)no1	8.42										
-Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(F)cc2)no1	7.4										
-Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccc(F)cn2)no1	7.72										
-Cc1c(COc2ccc(C(=O)O)cn2)c(-c2ccccn2)no1	7.65										
-Cc1c(COc2ccc(C(=O)OC(C)C)cn2)c(-c2ccccc2)no1	8.33										
-Cc1c(COc2ccc(C(=O)n3ccc(O)n3)cn2)c(-c2ccccc2)no1	7.46										
-Cc1c(COc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)no1	7.22										
-Cc1c(COc2ccc(C3(O)COC3)cn2)c(-c2ccc(F)cc2)no1	7.68										
-Cc1c(COc2ccc(C3(O)COC3)cn2)c(-c2ccccc2)no1	7.55										
-Cc1c(COc2ccc(NC(=O)C(C)C)cn2)c(-c2ccccc2)no1	7.72										
-Cc1c(COc2ccc(NC(=O)C3CC3)cn2)c(-c2ccccc2)no1	8.0										
-Cc1c(COc2ccc([N+](=O)[O-])cn2)c(-c2ccccc2)no1	7.65										
-Cc1c(COc2ccc([S+](C)[O-])cn2)c(-c2ccccc2)no1	7.55										
-Cc1c(COc2cccc(C#N)n2)c(-c2ccccc2)no1	7.68										
-Cc1c(COc2ccccn2)c(-c2ccccc2)no1	7.44										
-Cc1c(COc2ncc(C(=O)NC(C)C)c(C(F)(F)F)c2)c(-c2ccccc2)no1	7.84										
-Cc1c(COc2ncc(C(=O)NC(C)C)cc2Br)c(-c2ccccc2)no1	7.73										
-Cc1c(COc2ncc(C(=O)NC3CCOCC3)cc2Br)c(-c2ccccc2)no1	7.61										
-Cc1c(COc2nn(C)c(C(=O)NC3(C)COC3)c2)n(-c2ccc(F)cc2)nn1	7.37										
-Cc1c(COc2nn(C)c(C(=O)NC3CCOCC3)c2)n(-c2ccc(F)cc2)nn1	7.8										
-Cc1c(COc2nn(C)c(C(=O)NN3CCOCC3)c2)n(-c2ccc(F)cc2)nn1	7.65										
-Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncs1	8.0425										
-Cc1c(Cc2nc(-c3ccccc3)cs2)nc[nH]1	6.0										
-Cc1c(Cl)c(N(CC(=O)O)S(C)(=O)=O)c2nc(O)c(O)nc2c1		9.0									
-Cc1c(Cl)c(N(CCO)S(C)(=O)=O)c2nc(O)c(O)nc2c1		8.4									
-Cc1c(Cl)cc2nc(O)c(O)nc2c1		6.11									
-Cc1c(Cl)cc2nc(O)c(O)nc2c1N(CC(=O)O)S(C)(=O)=O		8.7									
-Cc1c(Cl)cc2nc(O)c(O)nc2c1N(CCO)S(C)(=O)=O		7.852									
-Cc1c(Cl)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1					7.27						
-Cc1c(F)c(C)cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1					7.42						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4cc(C#N)ccc4)C(=O)C3)c(-c3ccc(F)cc3)n2)c1					6.37						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)c1					7.28						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1					7.12						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(C3CCCCC3)n2)c1					6.142						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4cccnn4)CC3)c(-c3ccccc3)n2)c1					6.07						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ncc(F)cn4)CC3)c(-c3ccccc3)n2)c1					7.011						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1					7.39						
-Cc1c(F)ccc(-c2cn(CC(=O)N3CCc4c(CC3)sc(N)n4)c(-c3ccccc3)n2)c1					6.65						
-Cc1c(F)ccc(COC2C(O)C3C(C(=O)O)C3C2(N)C(=O)O)c1							6.67			7.07	
-Cc1c(F)sc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1					6.03						
-Cc1c(N)c2c(cc1Cl)nc(O)c(O)n2		6.82									
-Cc1c(N)cc(N2CCc3c(cccc3)C2)nc1		8.4									
-Cc1c(N)ncc(C(=O)O)c1	4.0										
-Cc1c(N=C(N)NC23CC4CC(C)(CC(C)(C4)C2)C3)cccc1		5.7									
-Cc1c(N=C(N)NC23CC4CC(CC(C4)C2)C3)cccc1		4.5									
-Cc1c(N=C(N)NC2C3CC4CC(C3)CC2C4)cccc1		5.0									
-Cc1c(N=C(N)NC2CC3CCC2(C)C3(C)C)cccc1		5.3									
-Cc1c(N=C(N)NC2CCCCC2)cccc1		5.0									
-Cc1c(N=C(N)Nc2c(C)cc(N)cc2)cccc1		5.36									
-Cc1c(N=C(N)Nc2c(C)cc([N+](=O)[O-])cc2)cccc1		5.24									
-Cc1c(N=C(N)Nc2c(C)cccc2C)cccc1		5.72									
-Cc1c(N=C(N)Nc2c(I)cccc2)cccc1		5.69									
-Cc1c(N=C(N)Nc2c(N)cccc2)cccc1		4.92									
-Cc1c(N=C(N)Nc2c([N+](=O)[O-])cccc2)cccc1		5.68									
-Cc1c(N=C(N)Nc2cc(O)ccc2)ccc(N)c1		5.0									
-Cc1c(N=C(N)Nc2cc(O)ccc2)ccc([N+](=O)[O-])c1		4.43									
-Cc1c(N=C(N)Nc2cc(O)ccc2)cccc1		5.6									
-Cc1c(N=C(N)Nc2ccccc2C=Cc2ccccc2)cccc1		5.0									
-Cc1c(NC(=N)Nc2c(C)cc(Br)cc2)ccc(Br)c1		5.0									
-Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1		4.0									
-Cc1c(NC(=N)Nc2c(C)cc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1		5.37									
-Cc1c(NC(=N)Nc2ccccc2C)cccc1		5.04									
-Cc1c(NC(=O)C2CC2C)snc1-c1cc(Cl)c(Cl)cc1					5.18	7.41					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Br)cc1					6.14	8.152000000000001					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccc(C(C)(F)F)cc1					4.9030000000000005	7.172000000000001					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccc(Cl)cc1					5.912000000000001	8.05					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccc(F)cc1					4.9030000000000005	7.0					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccc(O)cc1					4.9030000000000005	6.86					
-Cc1c(NC(=O)C2CC2C)snc1-c1ccccc1					4.9030000000000005	7.19					
-Cc1c(NC(=O)N=C2CCCN2C)c(C)ccc1					5.0						
-Cc1c(NC(=O)NC2=NC(=O)C3CCCN23)cccc1					5.0						
-Cc1c(NC(=O)c2c(C)cco2)ccc(N2C(=O)c3c(cccc3)C2=O)c1						7.82					6.21
-Cc1c(NC(N)=NC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cccc1		5.0									
-Cc1c(NCCO)cc(N2CCc3c(cccc3)C2)nc1		8.1									
-Cc1c(NN=CC2C=CC(=O)C=C2)nc2ccccc2n1											5.77
-Cc1c(NN=Cc2cc(O)ccc2)nc2ccccc2n1											5.62
-Cc1c(NN=Cc2ccc(F)cc2)nc2ccccc2n1											5.301
-Cc1c(NN=Cc2ccc(O)cc2)nc2ccccc2n1											5.77
-Cc1c(NN=Cc2ccccc2)nc2ccccc2n1											5.36
-Cc1c(NN=Cc2ccccc2O)nc2ccccc2n1											5.388
-Cc1c(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nccc1											5.47
-Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccc(-n2cncn2)cc1							5.372000000000001				
-Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccccc1							5.341				
-Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccncc1							5.412000000000001				
-Cc1c(O)c(C(C)(C)C)ccc1	5.5										
-Cc1c(OCCCCOc2c(F)c(F)ccc2)ccc(C(=O)CC(C)C)c1O							6.42				
-Cc1c(OCCCCOc2c(F)cccc2)ccc(C(=O)CC(C)C)c1O							5.7010000000000005				
-Cc1c(OCCCCOc2ccc(-c3n[nH]nn3)cc2)ccc(C(=O)CC(C)C)c1O							6.64				
-Cc1c(OCCCCOc2cnccc2)ccc(C(=O)CC(C)C)c1O							5.76				
-Cc1c(OCCCCOc2ncccc2)ccc(C(=O)CC(C)C)c1O							5.49				
-Cc1c(OCCCCSc2ccncc2)ccc(C(=O)CC(C)C)c1O							6.47				
-Cc1c(OCCCCSc2cnccc2)ccc(C(=O)CC(C)C)c1O							5.96				
-Cc1c(OCCCCSc2ncccc2)ccc(C(=O)CC(C)C)c1O							5.818				
-Cc1c(OCc2cc(CSc3ccncc3)ccc2)ccc(C(=O)CC(C)C)c1O							6.09				
-Cc1c(OCc2cc(Sc3ccncc3)ccc2)ccc(C(=O)CC(C)C)c1O							6.05				
-Cc1c(OCc2ccc(CSc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O							6.112				
-Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O							6.24				
-Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O							5.973				
-Cc1c(OCc2ccccc2Sc2ccncc2)ccc(C(=O)CC(C)C)c1O							6.17				
-Cc1c(Oc2c(Cl)cc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cccn1							6.64				
-Cc1c(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cccn1							5.97				
-Cc1c(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)cccn1							6.56				
-Cc1c(S(=O)(=O)C(C)c2ccccc2Cl)sc(NC(=O)c2ccccn2)n1											5.49
-Cc1c(S(=O)(=O)C(C)c2ccccc2F)sc(NC(=O)c2ccccn2)n1											5.32
-Cc1c(S(=O)(=O)Cc2c(Cl)cccc2Cl)sc(NC(=O)c2ccccn2)n1											6.93
-Cc1c(S(=O)(=O)Cc2c(F)cccc2Cl)sc(NC(=O)c2ccccn2)n1											6.72
-Cc1c(S(=O)(=O)Cc2c(F)cccc2F)sc(NC(=O)c2ccccn2)n1											6.53
-Cc1c(S(=O)(=O)Cc2cc(F)c(F)cc2F)sc(NC(=O)c2ccccn2)n1											6.49
-Cc1c(S(=O)(=O)Cc2cc(F)ccc2F)sc(NC(=O)c2ccccn2)n1											5.97
-Cc1c(S(=O)(=O)Cc2ccc(C(C)C)cc2)sc(NC(=O)c2ccccn2)n1											5.98
-Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2)sc(NC(=O)c2ccccn2)n1											6.31
-Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc(NC(=O)c2ccccn2)n1											6.54
-Cc1c(S(=O)(=O)Cc2ccc(Cl)cc2F)sc(NC(=O)c2ccccn2)n1											5.38
-Cc1c(S(=O)(=O)Cc2ccc(F)c(Cl)c2)sc(NC(=O)c2ccccn2)n1											5.63
-Cc1c(S(=O)(=O)Cc2ccc(F)c(F)c2)sc(NC(=O)c2ccccn2)n1											6.03
-Cc1c(S(=O)(=O)Cc2ccc(F)cc2)sc(NC(=O)c2ccccn2)n1											5.82
-Cc1c(S(=O)(=O)Cc2ccc(F)cc2F)sc(NC(=O)c2ccccn2)n1											6.26
-Cc1c(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)sc(NC(=O)c2ccccn2)n1											5.61
-Cc1c(S(=O)(=O)Cc2cccc(Cl)c2)sc(NC(=O)c2ccccn2)n1											5.86
-Cc1c(S(=O)(=O)Cc2cccc(Cl)c2F)sc(NC(=O)c2ccccn2)n1											6.27
-Cc1c(S(=O)(=O)Cc2ccccc2C(F)(F)F)sc(NC(=O)c2ccccn2)n1											5.99
-Cc1c(S(=O)(=O)Cc2ccccc2Cl)sc(NC(=O)c2ccccn2)n1											6.35
-Cc1c(S(=O)(=O)Cc2ccccc2F)sc(NC(=O)c2ccccn2)n1											5.88
-Cc1c([N+](=O)[O-])c2c(cc1Br)nc(O)c(O)n2		8.06									
-Cc1c([N+](=O)[O-])c2c(cc1C#N)nc(O)c(O)n2		7.14									
-Cc1c([N+](=O)[O-])c2c(cc1Cl)nc(O)c(O)n2		8.33									
-Cc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2		7.0200000000000005									
-Cc1c2C(=O)N(Cc3ccc(OC(F)(F)F)cc3)Cc2cc(-c2nc(CN3CCNCC3)no2)c1							6.402				
-Cc1c2C(=O)N(c3c(Cl)cc(NC(=O)c4c(N)cccn4)cc3)C(=O)c2ccc1											7.66
-Cc1c2C(=O)N(c3ccc(F)cc3)CCn2nc1COc1ccccc1					5.91						
-Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2ccc1						6.325					6.29
-Cc1c2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2ccc1						6.635					5.85
-Cc1c2C(=O)N(c3ccc(NC(=O)c4ncccc4)cc3Br)C(=O)c2ccc1											7.46
-Cc1c2C(=O)N(c3ccc(NC(=O)c4ncccc4)cc3Cl)C(=O)c2ccc1											7.66
-Cc1c2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2ccc1						5.0					6.3
-Cc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1					5.52						
-Cc1c2Cn3c(C)cnc3-c3c(ccc(Br)c3)-n2cn1	7.93										
-Cc1c2Cn3cc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1	8.8										
-Cc1c2Cn3cc(CO)nc3-c3c(ccc(Br)c3)-n2cn1	8.09										
-Cc1c2Cn3ccnc3-c3c(ccc(Br)c3)-n2cn1	8.18										
-Cc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1	6.82										
-Cc1c2Cn3nc(C(C)(C)C)nc3-c3c(ccc(Br)c3)-n2cn1	6.0575										
-Cc1c2Cn3nc(CC4CC4)nc3-c3c(ccc(Br)c3)-n2cn1	6.8375										
-Cc1c2Cn3nc(CN4CCCC4=O)nc3-c3c(ccc(Br)c3)-n2cn1	6.705										
-Cc1c2Cn3nccc3-c3c(ccc(Br)c3)-n2cn1	7.31										
-Cc1c2Cn3nccc3-c3c(cccc3)-n2cn1	8.52										
-Cc1c2Cn3ncnc3-c3c(c(F)ccc3)-n2cn1	7.19										
-Cc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1	7.17375										
-Cc1c2Cn3ncnc3-c3c(ccc(C(F)(F)F)c3)-n2cn1	7.75										
-Cc1c2Cn3ncnc3-c3c(ccc(C(F)F)c3)-n2cn1	8.66										
-Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	7.3774999999999995										
-Cc1c2Cn3ncnc3-c3c(ccc(F)c3)-n2cn1	8.52										
-Cc1c2Cn3ncnc3-c3c(ccc(I)c3)-n2cn1	8.36										
-Cc1c2Cn3ncnc3-c3c(ccc(OC(F)(F)F)c3)-n2cn1	7.3										
-Cc1c2Cn3ncnc3-c3c(ccc(OC(F)F)c3)-n2cn1	8.74										
-Cc1c2Cn3ncnc3-c3c(cccc3)-n2cn1	8.59										
-Cc1c2Cn3ncnc3-c3c(cccc3Cl)-n2cn1	8.92										
-Cc1c2Cn3ncnc3-c3c(cccc3F)-n2cn1	9.0										
-Cc1c2[nH]c3c(cccc3)c2ccn1	4.91										
-Cc1c2c(-c3ccccc3)c(C#N)c(-c3ccccc3)nc2n[nH]1					6.28						
-Cc1c2c(N)c(C(=O)c3ccc(F)cc3)oc2nc(O)c1					5.21						
-Cc1c2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2ccc1	7.4425										
-Cc1c2c(ccc1)-n1cnc(-c3noc(C4CC4)n3)c1CN2C(=O)N1CCOCC1	7.925										
-Cc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	5.16										
-Cc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2n[nH]nn2)cc1							5.97				
-Cc1c2n[n+]([O-])c3c(cc(OCc4ccncc4)cc3)n2nc1	7.64										
-Cc1c2ncn(-c3cc4c(cc3)[nH]cc4CC3CCCN3C)c2ncc1	7.919999999999999										
-Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	8.0125										
-Cc1c[nH]c(NC(=O)c2c3[nH]cc(-c4ccccn4)c3cc(C)n2)n1					6.62						
-Cc1c[nH]c(NC(=O)c2c3[nH]ccc3cc(C)n2)n1					6.521						
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1						5.0					5.0
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1						6.935					5.0
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1						6.07					5.47
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1						6.2					5.21
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1						5.91					
-Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1						5.0					5.0
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1							8.35				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)cc(C)n1							7.8				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)ccn1							7.48				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)cc(C)n1							7.56				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)ccn1							7.32				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)(F)F)cc3)n2)cc(C)n1							7.7				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1							7.65				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(C(F)(F)F)c3)n2)cc(C)n1							8.13				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC(C)C)c3)n2)cc(C)n1							7.66				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CC4)c3)n2)cc(C)n1							7.98				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CC4)c3)n2)ccn1							7.3				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(C)c(OCC4CCOCC4)c3)n2)cc(C)n1							7.09				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C#N)c3)n2)cc(C)n1							7.58				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)cc(C)n1							8.24				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)ccn1							7.84				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C(F)F)c3)n2)cc(C)n1							7.59				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1							7.69				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)ccn1							7.71				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(CF)c3)n2)cc(C)n1							7.43				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1							7.85				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)ccn1							7.9				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)cc(C)n1							7.66				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)ccn1							7.38				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(OC(F)(F)F)c3)n2)cc(C)n1							7.88				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)cc3)n2)cc(C)n1							7.66				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)cc(C)n1							7.87				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)ccn1							7.58				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(Cl)c3)n2)cc(C)n1							7.67				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(Cl)c3)n2)ccn1							7.34				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)cc(C)n1							7.9				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)ccn1							7.35				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)F)c3)n2)cc(C)n1							7.86				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OC(F)F)c3)n2)ccn1							7.71				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4(C)COC4)c3)n2)cc(C)n1							6.99				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CC4)c3)n2)cc(C)n1							7.89				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)cc(C)n1							8.51				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)ccn1							7.6				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(F)c(OCCF)c3)n2)cc(C)n1							7.58				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(C)C)c(C)c3)n2)cc(C)n1							8.62				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(C)C)c(Cl)c3)n2)cc(C)n1							8.57				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1							8.38				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)ccn1							8.34				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(C)n1							8.33				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1							8.72				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)cc(C)n1							8.62				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)ccn1							8.6				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CO)c3)n2)cc(C)n1							7.75				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(CO)c3)n2)ccn1							7.7				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)cc(C)n1							8.36				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)ccn1							8.52				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1							7.98				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1							8.11				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1							7.85				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C)n1							8.25				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)ccn1							8.13				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CF)c3)n2)cc(C)n1							8.72				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CF)c3)n2)ccn1							8.54				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CO)c3)n2)cc(C)n1							7.66				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(CO)c3)n2)ccn1							7.52				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1							8.55				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)ccn1							8.12				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(F)c3)n2)cc(C)n1							7.79				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(F)c3)n2)ccn1							7.725				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)cc(C)n1							8.47				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1							8.52				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)ccn1							8.3				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4COC4)c(Cl)c3)n2)cc(C)n1							8.01				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3ccc(OCCF)c(Cl)c3)n2)cc(C)n1							7.92				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(Cl)c3)n2)cc(C)n1							7.42				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(Cl)c3)n2)ccn1							7.11				
-Cc1cc(-c2c3CCOC(C)Cn3c(-c3cccc(OC(F)(F)F)c3)n2)cc(C)n1							7.51				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1							7.71				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)ccn1							7.71				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1							7.82				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1							7.61				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(C)c3)n2)ccn1							7.45				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1							7.68				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)ccn1							7.51				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)cc(C)n1							7.72				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(C(F)(F)F)c3)n2)ccn1							7.61				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(Cl)c3)n2)cc(C)n1							7.57				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(F)c(Cl)c3)n2)ccn1							7.42				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(C)C)c(C)c3)n2)cc(C)n1							8.74				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(C)C)c(Cl)c3)n2)cc(C)n1							8.27				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1							8.43				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)ccn1							8.42				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(C)n1							8.4				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1							8.3				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1							8.03				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(CF)n1							7.85				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(CO)n1							7.37				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)ccn1							7.82				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1							7.68				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1							7.59				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C(F)F)n1							7.68				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(C)n1							8.46				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)cc(CF)n1							8.22				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)ccn1							8.33				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1							8.7				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)cc(C)n1							8.39				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1							8.74				
-Cc1cc(-c2c3CCOC(CF)Cn3c(-c3ccc(OCF)c(C)c3)n2)cc(CO)n1							7.52				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(C)c3)n2)cc(C)n1							7.57				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(Cl)c3)n2)cc(C)n1							8.04				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)(F)F)c(F)c3)n2)cc(C)n1							7.27				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(C(F)F)c(Cl)c3)n2)cc(C)n1							7.73				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C#N)c3)n2)cc(C)n1							7.6				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)(F)F)c3)n2)cc(C)n1							7.72				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)F)c3)n2)cc(C)n1							7.78				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C(F)F)c3)n2)ccn1							8.08				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(C)c3)n2)cc(C)n1							7.19				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(Cl)c3)n2)cc(C)n1							7.58				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(F)c3)n2)cc(C)n1							7.04				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OC(F)(F)F)c3)n2)cc(C)n1							7.4				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OC(F)F)c3)n2)cc(C)n1							7.14				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(Cl)c(OCC(F)(F)F)c3)n2)cc(C)n1							7.86				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OC(F)(F)F)c3)n2)cc(C)n1							7.13				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(C)C)c3)n2)cc(C)n1							7.3				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(F)(F)F)c3)n2)cc(C)n1							7.54				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC(F)F)c3)n2)cc(C)n1							7.02				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC4CC4)c3)n2)cc(C)n1							7.46				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(F)c(OCC4CCC4)c3)n2)cc(C)n1							7.59				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)cc(C)n1							7.47				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)cc(CF)n1							7.88				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)ccn1							7.96				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(CF)c3)n2)cc(C)n1							7.57				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(Cl)c3)n2)cc(C)n1							7.75				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)cc(C)n1							7.68				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)cc3)n2)cc(C)n1							7.34				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)(F)F)cc3)n2)ccn1							7.05				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(Cl)c3)n2)cc(C)n1							7.24				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(F)c3)n2)cc(C)n1							7.5				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC(F)F)c(F)c3)n2)ccn1							7.33				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)cc(C)n1							7.43				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OC4CC4)c(OC(F)(F)F)c3)n2)cc(C)n1							7.56				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC(F)(F)F)c(F)c3)n2)cc(C)n1							7.01				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC(F)F)c(Cl)c3)n2)cc(C)n1							7.1				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCC4CC4)c(Cl)c3)n2)cc(C)n1							7.22				
-Cc1cc(-c2c3CCOCCn3c(-c3ccc(OCc4ccccc4)c(F)c3)n2)cc(C)n1							7.94				
-Cc1cc(-c2cc(-n3cccn3)ccn2)cc(C#N)c1					7.5						
-Cc1cc(-c2cc(-n3cccn3)ncc2)cc(C#N)c1					7.7						
-Cc1cc(-c2cc(-n3cccn3)ncn2)cc(C#N)c1					8.15						
-Cc1cc(-c2cc(C3=Nc4c(cc(Cl)c(Cl)c4)NC(=O)C3)ccc2)ccn1							8.152000000000001				
-Cc1cc(-c2cc(Cl)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1					7.027						
-Cc1cc(-c2cc(Cl)ccc2)ncc1C1CC(F)CN1C(=O)c1cnccn1					6.807						
-Cc1cc(-c2cc(F)cc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1					6.255						
-Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cnccn1					5.66						
-Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1					6.375						
-Cc1cc(-c2cc(F)ccc2)ncc1C1CCCN1C(=O)c1cnccn1					6.6						
-Cc1cc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)ccc1							6.99				
-Cc1cc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)c(C)c4)NC(=O)C3)c2)cc(C)n1							7.411			6.57	
-Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(F)CN1C(=O)c1cncs1					7.015						
-Cc1cc(-c2cccc(Cl)c2)ncc1C1CC(O)CN1C(=O)c1nccs1					6.87						
-Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)C1CC(=O)N(C)C1					4.9						
-Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1					7.838999999999999						
-Cc1cc(-c2cccc(F)c2)ncc1C1CCCN1C(=O)c1cncs1					7.334						
-Cc1cc(-c2ccccc2)nn(CCCC(=O)O)c1=N	5.64										
-Cc1cc(-c2ccccc2)nn(Cc2cc(O)no2)c1=N	6.0										
-Cc1cc(-c2cccnc2)cc(OCc2cccc(Cl)c2)c1					7.24						
-Cc1cc(-c2cnc3ccn(CC(=O)N(C)C)c3c2)ccc1F		8.15									
-Cc1cc(-c2nc(-c3ccccn3)no2)ccc1					6.352						
-Cc1cc(-c2nc(-c3ccnc(F)c3)c3CCOCCn23)ccc1OC(F)(F)F							7.21				
-Cc1cc(-c2ncc(C3CCCN3C(=O)c3cncs3)c(C)c2)ccn1					6.64						
-Cc1cc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)no1	8.690000000000001										
-Cc1cc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4C2)no1	7.74										
-Cc1cc(-c2nnc3c4c(cccc4)c(OCc4ccccn4)nn23)no1	7.906166666666667										
-Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cn(C)nn4)nn23)no1	9.1725										
-Cc1cc(-c2nnc3c4c(cccc4)c(OCc4cnnn4C)nn23)no1	8.4775										
-Cc1cc(-c2nnc3c4c(cccc4)c(OCc4nn(C)nc4)nn23)no1	9.06										
-Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1	7.9875										
-Cc1cc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)ccc1	8.51										
-Cc1cc(-c2noc(C3CC(=O)N(c4ccc(C)c(Cl)c4)C3)n2)ccc1					6.62						
-Cc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3)n2)ccc1					6.41						
-Cc1cc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1					6.77						
-Cc1cc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1					7.61						
-Cc1cc(-c2noc(C3CCCCN3C(=O)C3CC3)n2)ccc1					6.49						
-Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)ccc1					6.41						
-Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCCC3)n2)ccc1					6.22						
-Cc1cc(-c2noc(C3CCCCN3C(=O)C3CCCCC3)n2)ccc1					5.6						
-Cc1cc(-c2noc(C3CCCCN3C(=O)c3ccc(F)c(F)c3)n2)ccc1					5.0						
-Cc1cc(-c2noc(C3CCCCN3C(=O)c3ccc(F)cc3)n2)ccc1					5.0						
-Cc1cc(-c2noc(C3CCCCN3C(=O)c3cccc(F)c3)n2)ccc1					5.33						
-Cc1cc(-c2noc(C3CCCCN3C(=O)c3cccs3)n2)ccc1					6.14						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCC(C(F)(F)F)CC4)C3)n2)ccc1					6.0						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCC(C)CC4)C3)n2)ccc1					6.01						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCC(F)(F)CC4)C3)n2)ccc1					6.23						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCC4)C3)n2)ccc1					6.0						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCCC(C)C4)C3)n2)ccc1					6.3						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCCC4)C3)n2)ccc1					5.6						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCCCC4)C3)n2)ccc1					6.02						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCCO4)C3)n2)ccc1					5.72						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCOC4)C3)n2)ccc1					5.89						
-Cc1cc(-c2noc(C3CN(C(=O)C4CCOCC4)C3)n2)ccc1					5.75						
-Cc1cc(-c2noc(C3CN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)ccc1					5.96						
-Cc1cc(-c2noc(C3CN(S(=O)(=O)c4ccc(F)cc4)C3)n2)ccc1					6.02						
-Cc1cc(-c2noc(C3CN(S(=O)(=O)c4cccc(C)c4)C3)n2)ccc1					6.19						
-Cc1cc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)c1					6.8						
-Cc1cc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)n1					7.35						
-Cc1cc(-n2c(C)ccc2C)nc(OCc2cccc(Cl)c2)c1					5.523						
-Cc1cc(-n2cc(C(N)=O)nc2C)cc(OCc2cccc(Cl)c2)n1					7.36						
-Cc1cc(-n2ccnc2C)cc(OCc2cccc(Cl)c2)c1					7.57						
-Cc1cc(-n2ncc3c2ncnc3N2CCCC(C)C2)cc(C)c1											5.34
-Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=NC#N)N(C)C)ccc1					6.777						
-Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)C(C)(C)C)ccc1					6.511						
-Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)N(C)C)ccc1					6.88						
-Cc1cc(C#CC2(O)CC3CCC(C2)N3C(=O)N2CCC2)ccc1					6.678999999999999						
-Cc1cc(C#CC2(O)CC3CCC(C2)N3S(C)(=O)=O)ccc1					6.24						
-Cc1cc(C#CC2(O)CC3CCC(C2)N3c2c(C#N)cccn2)ccc1					6.77						
-Cc1cc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1					9.13						
-Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1	6.47				7.36						
-Cc1cc(C#Cc2c3COc4c(cccc4)-n3cn2)ccn1	6.47				7.9						
-Cc1cc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nc2)ccc1					7.06						
-Cc1cc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)ccc1					7.21						
-Cc1cc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)ccc1					7.305						
-Cc1cc(C#Cc2ccc3C(=O)N(C)CCc3n2)ccc1					7.315						
-Cc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1					6.77						
-Cc1cc(C#Cc2ccc3C(=O)NCCc3c2)ccc1F					5.31						
-Cc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O					6.99						
-Cc1cc(C#Cc2ccccc2)cnc1N1CC(C)(C)CC1=O					7.24						
-Cc1cc(C#Cc2cn(-c3cc(S(C)(=O)=O)ccc3)c(C)n2)ccn1	5.5				6.8						
-Cc1cc(C#Cc2cn(-c3ccc(C#N)cc3)c(C)n2)ccn1	5.5				7.12						
-Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1	5.5				7.255						
-Cc1cc(C#Cc2cn(-c3ccc(S(C)(=O)=O)cc3)c(C)n2)ccn1	5.5				6.55						
-Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1	5.5				7.3						
-Cc1cc(C#Cc2cn(-c3cccc(F)c3)c(C)n2)ccn1	5.5				7.845						
-Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1	5.5				7.72						
-Cc1cc(C#Cc2cncnc2)ccc1					8.12						
-Cc1cc(C#Cc2nc(C)cn3cccc23)ccc1					9.4						
-Cc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCC2)CC3)ccc1					7.472						
-Cc1cc(C#Cc2nc3c(cc2)C(=O)N(C2CCCCC2)CC3)ccc1					6.791						
-Cc1cc(C#Cc2ncccn2)ccc1			5.0			5.0	5.0		5.0	5.0	5.0
-Cc1cc(C(=O)N(C)Cc2cccnc2)cc(OCc2cc(Cl)ccc2)n1					7.57						
-Cc1cc(C(=O)N2CCCC2c2c(C)cc(-c3cc(Cl)ccc3)nc2)no1					7.954						
-Cc1cc(C(=O)N2CCCC2c2ccc(-c3cc(Cl)ccc3)nc2)no1					6.83						
-Cc1cc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)cc(Cl)c1					7.34						
-Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1					7.002000000000001						
-Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)no1					5.8						
-Cc1cc(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)ccc1						5.5					
-Cc1cc(C(=O)NC(C)C)cnc1OCc1c(C)onc1-c1ccccc1	8.53										
-Cc1cc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)ncc1					5.47						
-Cc1cc(C(=O)NC2CCOCC2)cnc1OCc1c(C)onc1-c1ccccc1	8.85										
-Cc1cc(C(=O)Nc2nc(C)ccc2)c(O)cc1					6.98						
-Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1					6.08						
-Cc1cc(C)c(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1					7.77						
-Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1											6.8
-Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1											5.223
-Cc1cc(C)c2c(N)c(C(=O)c3c(F)cc(F)cc3)oc2n1					5.03						
-Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1					5.33						
-Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1					5.0						
-Cc1cc(C)c2c(O)c(N=O)c(O)nc2c1		7.43									
-Cc1cc(C)c2c(O)c([N+](=O)[O-])c(O)nc2c1		6.54									
-Cc1cc(C)c2nc(O)c(O)nc2c1		5.68									
-Cc1cc(C)cc(Nc2c3ncccc3n[nH]2)c1											6.75
-Cc1cc(C=Cc2ccccc2)nc(N)n1											6.1
-Cc1cc(C=Cc2nc(N)ncc2)ccc1											4.523
-Cc1cc(CN2CC3CCC2CN3c2nc3c(cc2)n(CC(C)(C)C)c(=O)n3C)no1							6.83				
-Cc1cc(CN2Cc3c(ccc(OC(F)(F)F)c3)C2=N)cc(C)c1		8.055									
-Cc1cc(CN=C(N)c2ccc(C(F)(F)F)cc2)cc(C)c1		8.235									
-Cc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(C)c1		6.825									
-Cc1cc(CNC(=O)c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)c(O)nn1	8.19										
-Cc1cc(COc2cc(C#N)cc(Cl)n2)ccn1					8.0						
-Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)ncc1	7.8										
-Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)ncc1	8.035										
-Cc1cc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1											5.38
-Cc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2)cc(C)n1							7.6				
-Cc1cc(Cc2ccc3c(-c4cn(C)nc4)cc(C(N)=O)nc3c2F)cc(C)n1							7.41				
-Cc1cc(Cl)ccc1-c1cc(C(N)=O)nc2c1cccc2							6.43				
-Cc1cc(Cl)ccc1N1CCN(C(=O)COCc2ccncc2)CC1					6.62						
-Cc1cc(F)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1											5.63
-Cc1cc(N(C)C(=O)C(F)(F)F)cc(OCc2cccc(Cl)c2)n1					7.747999999999999						
-Cc1cc(N(C)C(=O)Cc2c(F)cccc2F)cc(OCc2cccc(Cl)c2)c1					7.32						
-Cc1cc(N(C)c2cncnc2)cc(OCc2cccc(Cl)c2)n1					7.96						
-Cc1cc(N)cc(N2CCc3c(cccc3)C2)n1		8.3									
-Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2cc(Cl)ccc2)c1					8.33						
-Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccc(Cl)cc2)c1					5.41						
-Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccc(F)cc2)c1					6.05						
-Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2cccc(C#N)c2)c1					8.221						
-Cc1cc(N2C(=O)c3c(cccc3)C2=O)cc(OCc2ccccc2)c1					7.291						
-Cc1cc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)ccc1					5.64						
-Cc1cc(N2CCc3c(cccc3)C2)nc(N)c1		6.96									
-Cc1cc(N2CCc3c(cccc3)C2)ncc1		6.42									
-Cc1cc(NC(=O)NC2=NC(=O)C(c3ccccc3)N2C)ccc1					5.852						
-Cc1cc(NC(=O)NC2=NC(=O)C3CCCN23)c(C)cc1					5.0						
-Cc1cc(NC(=O)NC2=NC(=O)CCN2)ccc1					5.409						
-Cc1cc(NC(=O)NC2=NC(=O)CCN2C)ccc1					6.06						
-Cc1cc(NC(=O)NC2=NC(=O)CN2C)ccc1					6.26						
-Cc1cc(NC(=O)Nc2c3ncccc3n[nH]2)ccc1F											5.17
-Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(C)ccc2						7.675					6.38
-Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2						7.31					6.0
-Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(C1=O)c(F)ccc2						7.31					5.96
-Cc1cc(NC(=O)c2c(C)cco2)ccc1N1C(=O)c2c(cccc2)C1=O						7.05					6.05
-Cc1cc(NC(=O)c2cccc3c2nc(O)o3)ccn1					5.51						
-Cc1cc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccn1					7.027						
-Cc1cc(NCCO)cc(N2CCc3c(cccc3)C2)n1		8.4									
-Cc1cc(Nc2c3ncccc3n[nH]2)ccc1Cl											6.79
-Cc1cc(Nc2c3ncccc3n[nH]2)ccc1F											7.17
-Cc1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc(C)c1											5.0
-Cc1cc(Nc2nc3c(CCc4c-3cn[nH]4)s2)nc(C)c1											5.0
-Cc1cc(Nc2nc3c(CCc4c-3cn[nH]4)s2)ncc1											5.0
-Cc1cc(Nc2nc3c(cn2)C(=O)CCC3)ccc1					6.303						
-Cc1cc(Nc2ncc3C(=O)CCCc3n2)cc(C)c1					4.0						
-Cc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							5.462000000000001				
-Cc1cc(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc(C)n1							7.71				
-Cc1cc(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)ccn1							7.813				
-Cc1cc(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)ccn1							7.073				
-Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1					7.85						
-Cc1cc(S(=O)(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)ccc1							6.93				
-Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1Cl											6.82
-Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F											6.91
-Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1											6.98
-Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1Cl											6.79
-Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F											6.57
-Cc1cc(Sc2ccnc(-c3ccccn3)n2)ccc1					5.64						
-Cc1cc([N+](=O)[O-])c(N2CCCC(=CC#Cc3cccc(C)n3)C2)nc1					7.21						
-Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1		4.9									
-Cc1cc2c(cc1)[nH]c1c2CN(CCCCCCN2CCc3c(C2)c2c(ccc(C)c2)[nH]3)CC1		4.96									
-Cc1cc2c(cc1)c1nnc(-c3ccccc3)n1nc2OCc1ncccc1	8.8575										
-Cc1cc2c(cc1)cc(C=NN=C(N)N)[nH]2		4.48									
-Cc1cc2c(ccc(C(C)(C#N)c3ccccc3)c2)nc1O						5.3					
-Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1		5.03									
-Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1C		7.54									
-Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1Cl		7.35									
-Cc1cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c(C2CC2C#N)c1		7.41									
-Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1	8.535										
-Cc1cc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1	7.805										
-Cc1cc2ncc(-c3cccc(-c4cccnc4)c3)n2cc1	7.8										
-Cc1ccc(-c2c(C)c(C(=O)Nc3cccc(C)n3)nn2C)cc1					8.28						
-Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(C)ccc3n2)cc1	6.2635000000000005										
-Cc1ccc(-c2c(CC(=O)N(C)C)n3cc(F)ccc3n2)cc1	5.9										
-Cc1ccc(-c2cc(C(N)=O)nc3c2ccc(C)c3)cc1							6.39				
-Cc1ccc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)CCC2=O)c3)cc1							8.3				
-Cc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(C#N)c1							6.87				
-Cc1ccc(-c2cc(C(N)=O)nc3c2cccc3)c(F)c1							6.91				
-Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cc1					5.83						
-Cc1ccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)cc1							6.5				
-Cc1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					5.81						
-Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1					6.67	5.0					
-Cc1ccc(-c2ccnc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1					7.7	5.0					
-Cc1ccc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)cc1					7.172000000000001						
-Cc1ccc(-c2cn3c(O)nc4c(CN(Cc5ccccc5)CC4)c3n2)cc1	6.03										
-Cc1ccc(-c2csc3c2ncn(-c2ccc(Cl)cc2)c3=O)cc1						7.1					
-Cc1ccc(-c2nc3c(CCN(C(=O)c4ccccc4)C3)o2)nc1					6.75						
-Cc1ccc(-c2nc3c(ccc(O)c3CNC3CC3)[nH]2)cc1		5.85									
-Cc1ccc(-c2nn(O)cc2C2CCNCC2)cc1	5.85										
-Cc1ccc(-c2nn3c(=O)[nH]c4c(cc(Cl)cc4)n3c2=O)cc1	6.73										
-Cc1ccc(-c2nn3c(=O)[nH]c4c(cccc4)n3c2=O)cc1	6.21										
-Cc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1	7.3149999999999995										
-Cc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1	7.9775										
-Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c(F)c1	9.1										
-Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)cc1	9.0										
-Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)cc1	9.05										
-Cc1ccc(-n2ccc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					5.92	8.33					
-Cc1ccc(-n2ccc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1						8.172					
-Cc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ccn4)c2=O)cc1						8.01					
-Cc1ccc(-n2ccc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1						7.921					
-Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)c(C)c1					4.0	7.77					
-Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ccn4)c2=O)cc1					6.05	8.3					
-Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)cnc4)c2=O)cc1					5.392	7.37					
-Cc1ccc(-n2cnc3c(sc4c3c(N(C)C)ncn4)c2=O)cc1					5.0	9.0					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(-n3cccc3)n4)c2=O)cc1					5.523	6.0					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C(F)(F)F)n4)c2=O)cc1					5.523	6.0					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C)n4)c2=O)cc1					5.523	7.57					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(C3CC3)n4)c2=O)cc1					5.523	6.49					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(N)n4)c2=O)cc1					5.523	8.68					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(O)n4)c2=O)cc1					5.523	6.0					
-Cc1ccc(-n2cnc3c(sc4c3c(N)nc(S)n4)c2=O)cc1					5.523	8.51					
-Cc1ccc(-n2cnc3c(sc4c3c(NC3CC3)ncn4)c2=O)cc1					5.0	8.05					
-Cc1ccc(-n2cnc3c(sc4c3c3c(cc[nH]3)cn4)c2=O)cc1					6.0	9.152					
-Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OC(C)CN3)c2=O)cc1					6.21	8.28					
-Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)OCCN3)c2=O)cc1					6.152	8.66					
-Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)sc(O)n3)c2=O)cc1						6.351					
-Cc1ccc(-n2cnc3c(sc4c3c3c(cn4)sc(S)n3)c2=O)cc1						6.27					
-Cc1ccc(-n2cnc3c(sc4c3c3n[nH]cc3cn4)c2=O)cc1						7.777					
-Cc1ccc(-n2cnc3c(scc3-c3ccccc3)c2=O)cc1						6.95					
-Cc1ccc(-n2nc(C)c3conc3c2=O)cc1		5.0			5.72						
-Cc1ccc(-n2nc3c4c(ccc(CCc5ccccc5)c4)[nH]c(=O)n3c2=O)cc1	7.705										
-Cc1ccc(-n2nc3c4c(ccc(CCc5cccnc5)c4)[nH]c(=O)n3c2=O)cc1	8.5525										
-Cc1ccc(-n2nc3c4c(ccc(CCc5cscc5)c4)[nH]c(=O)n3c2=O)cc1	9.0525										
-Cc1ccc(-n2ncc3c2ncnc3N2CCCC(C)C2)c(C)c1											5.34
-Cc1ccc(C#CC23CC4CC(C2)CC(NC(=O)c2cnccn2)(C4)C3)cn1					6.16						
-Cc1ccc(C#Cc2c3COc4c(cccc4)-n3cn2)cc1	5.5				5.4						
-Cc1ccc(C#Cc2ccc3C(=O)N(C(C)C)CCc3n2)cc1					5.565						
-Cc1ccc(C#Cc2ccc3C(=O)N(C4CCCC4)CCc3n2)cc1					5.32						
-Cc1ccc(C#Cc2ccc3C(=O)N(C4CCCCC4)CCc3n2)cc1					4.57						
-Cc1ccc(C#Cc2cncnc2)cc1					5.48						
-Cc1ccc(C#Cc2csc(C)n2)cc1					6.072						
-Cc1ccc(C#Cc2nc3c(cc2)C(=O)N(C)CC3)cc1					5.611000000000001						
-Cc1ccc(C(=O)N(C)c2nc(-c3ccncc3)cs2)cc1						7.081					
-Cc1ccc(C(=O)N2CC(c3nc(-c4cc(F)ccc4)no3)C2)cc1					5.17						
-Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1					5.0						
-Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(O)n3)cc1	6.66										
-Cc1ccc(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)cc1						5.33					
-Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1					4.52						
-Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1					7.521						
-Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4c(cccc4)C3=O)c(Cl)c2)o1						5.0					
-Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C							6.877000000000001				
-Cc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1[N+](=O)[O-]			5.525	5.4							5.515
-Cc1ccc(C)c(C#Cc2nc(C)cnn2)c1					5.722						
-Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	8.2875										
-Cc1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)o1					7.66	5.0					
-Cc1ccc(C=Cc2nc(N)ncc2)cc1											4.523
-Cc1ccc(C=NN=C(N)N)c2c1cccc2		4.94									
-Cc1ccc(C=NN=C(N)N)cc1		4.09									
-Cc1ccc(CC(=O)N2CCC(CCNc3ncccn3)CC2)cc1		5.5									
-Cc1ccc(CC(C)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1							7.7				
-Cc1ccc(CC(O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1							7.785				
-Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1		8.183									
-Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1		8.385714285714286									
-Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)C4)CC2)cc1		7.348571428571428									
-Cc1ccc(CC2CCN(C(=O)C(=O)Nc3cc4c(cc3)NC(=O)CO4)CC2)cc1		7.767142857142857									
-Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(O)nc4c3)CC2)cc1		7.77									
-Cc1ccc(CC2CCN(Cc3nc4c(ccc(O)c4)[nH]3)CC2)cc1		8.82									
-Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)C3)C2=O)cc1		7.91									
-Cc1ccc(COC(=O)N2CCC(CN(C)c3ncccn3)CC2)cc1		5.68									
-Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1		8.36									
-Cc1ccc(COC(=O)N2CCC(COc3ncccn3)CC2)cc1		5.13									
-Cc1ccc(COC(=O)N2CCC(Nc3ncccn3)CC2)cc1		4.824									
-Cc1ccc(COc2cc(C)cc(N3C(=O)c4c(cccc4)C3=O)c2)cc1					5.0						
-Cc1ccc(CS(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1											6.35
-Cc1ccc(CSCC(=O)c2c(C)n(-c3ccc(OC(F)F)cc3)c(C)c2)cc1			5.5						5.5		
-Cc1ccc(Cl)cc1Nc1c2ncccc2n[nH]1											6.39
-Cc1ccc(F)c(Nc2c3ncccc3n[nH]2)c1											6.5
-Cc1ccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)cc1		7.44									
-Cc1ccc(N2C(=O)c3c(cccc3)NC2C(C)c2ccccc2)cc1											5.521
-Cc1ccc(N2CC(c3nc(-c4cc(C(F)(F)F)ccc4)no3)CC2=O)cc1					5.47						
-Cc1ccc(N2CC(c3nc(-c4cc(F)ccc4)no3)CC2=O)cc1					5.921						
-Cc1ccc(N2CC(c3nc(-c4cccc(C)c4)no3)CC2=O)cc1					5.89						
-Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1					6.2						
-Cc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1C					6.51						
-Cc1ccc(N2CC(c3nc(-c4ccccc4)no3)CC2=O)cc1					6.42						
-Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1					7.15					6.82	
-Cc1ccc(NC(=N)Nc2ccc(C)cc2)cc1		4.695									
-Cc1ccc(NC(=O)C23CC2C(=NO)c2c(cccc2)O3)cc1							6.087000000000001			5.05	
-Cc1ccc(NC(=O)NC2=NC(=O)C3CCCN23)cc1Cl					5.0						
-Cc1ccc(NC(=O)Nc2c3ncccc3n[nH]2)cc1C											4.89
-Cc1ccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)nc1					7.041						
-Cc1ccc(Nc2c(Cl)cc(C(Cc3ccccc3)NC(=O)c3nccs3)cn2)cn1					7.26						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C(C)(C)C)cn2)cn1					7.51						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C(C)C)cn2)cn1					7.05						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CC3)cn2)cn1					8.01						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCC3)cn2)cn1					8.03						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCCC3)cn2)cn1					7.78						
-Cc1ccc(Nc2c(Cl)cc(C(NC(=O)c3nccs3)C3CCCCC3)cn2)cn1					7.42						
-Cc1ccc(Nc2c(Cl)cc(C3CCCN3C(=O)c3nccs3)cn2)cn1					6.74						
-Cc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.78
-Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1					5.64						
-Cc1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nn1											5.0
-Cc1ccc(Nc2nc3c(cn2)C(=O)CC(C)(C)C3)cc1					6.31						
-Cc1ccc(Nc2nc3c(cn2)C(=O)CCC3(C)C)cc1					4.0						
-Cc1ccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)cc1					4.0						
-Cc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1					6.957000000000001						
-Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4[nH]c(S)nc4c3)CC2)cc1		7.04									
-Cc1ccc(OC2CCN(C(=O)C(=O)Nc3ccc4nc(O)sc4c3)CC2)cc1		7.817142857142857									
-Cc1ccc(OCC#Cc2cccc(C)n2)cc1					6.94						
-Cc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							6.18				
-Cc1ccc(OCc2nn3CCN(c4ccc(F)cc4)C(=O)c3c2)cc1					6.52						
-Cc1ccc(Oc2c(Cl)cc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)c(C)n1							7.192				
-Cc1ccc(Oc2cccc(NC(=O)c3cccc(C#N)c3)n2)cn1					5.0						
-Cc1ccc(Oc2cccc(NC(=O)c3cccc(C)n3)n2)cn1					5.25						
-Cc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1					5.15						
-Cc1ccc(Oc2cncc(NC(=O)c3cccc(C#N)c3)n2)cn1					4.523						
-Cc1ccc(Oc2cncc(NC(=O)c3cccc(C)n3)n2)cn1					4.523						
-Cc1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1					5.0						
-Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(C)c4)no3)C2)cc1					6.17						
-Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1					6.04						
-Cc1ccc(S(=O)(=O)N2CC=C(C#Cc3ncccc3)CC2)cc1					8.101						
-Cc1ccc(S(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)cc1											5.79
-Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2-c2ccc(Cl)cc2)cc1					7.77						
-Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1C					7.28						
-Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1					6.7						
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1											6.31
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1											5.0
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C											6.83
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1F											6.86
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1											6.49
-Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1C											6.19
-Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1											6.91
-Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C											7.21
-Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3ccc(C#N)cn3)CC2)n1					9.205						
-Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)n1					5.0						
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)c(F)c3)C(=O)c2c1			4.523	4.523		7.032	4.523		4.523	4.523	4.523
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cco4)cc3Cl)C(=O)c2c1						7.26					6.49
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)cn[nH]4)cc3Cl)C(=O)c2c1						6.25					5.56
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)ocn4)cc3Cl)C(=O)c2c1						7.385					6.7
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4c(C)scn4)cc3Cl)C(=O)c2c1						7.66					5.95
-Cc1ccc2C(=O)N(c3ccc(NC(=O)c4nccn4C)cc3Cl)C(=O)c2c1						6.595					6.22
-Cc1ccc2N=C(N3CCN(CC(C)(C)C(=O)O)CC3)c3c(Oc2c1)sc(Cl)c3	4.0										
-Cc1ccc2[nH]c(=O)n3c(=O)n(-c4ccccc4)nc3c2c1	9.086666666666666										
-Cc1ccc2[nH]c3c(ncc4c3c3c(cccc3)[nH]4)c2c1	6.650000000000001										
-Cc1ccc2c(-c3ccc(C#N)cc3)cc(C(N)=O)nc2c1							6.72				
-Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							6.8				
-Cc1ccc2c(-c3ccccc3Cl)cc(C(N)=O)nc2c1							6.42				
-Cc1ccc2c(-c3ccccc3F)cc(C(N)=O)nc2c1							6.41				
-Cc1ccc2c(OCc3ncccc3)nn3c(-c4ccccc4)nnc3c2c1	6.0										
-Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn-21	9.1										
-Cc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn-21	8.04										
-Cc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21	8.74										
-Cc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	8.1										
-Cc1ccc2c(c1)c1c(CCN(C)C1)n2CCc1cnc(C)cc1		4.86									
-Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2	9.1										
-Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCN(C(=O)OC(C)(C)C)CC1	7.510000000000001										
-Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1	9.31										
-Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1C	9.8										
-Cc1ccc2nc(-n3c(O)nc4ccccc43)oc2c1	6.52										
-Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1	6.8										
-Cc1ccc2nc(O)c(C3=NN(C(=O)CCC(=O)O)C(c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1		4.892333333333333									
-Cc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(N3CCC(C)CC3)c2c1					6.99						
-Cc1ccc2oc(-c3ncc4ccccc4c3)cc(=NO)c2c1											6.01
-Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1	7.82										
-Cc1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1		5.75									
-Cc1cccc(-c2cc(C(C)Oc3nnc(-c4cnnc(O)c4)n3C)no2)c1					7.92						
-Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1					5.52						
-Cc1cccc(-c2ccc(OCC3Cn4c(C)cc(=O)nc4O3)cc2)c1C							6.56				
-Cc1cccc(-c2ccc(OCC3Cn4cc(C)c(=O)nc4O3)cc2)c1C							7.85				
-Cc1cccc(-c2ccc(OCC3Cn4ccc(=O)nc4O3)cc2)c1C							6.48				
-Cc1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1					5.93						
-Cc1cccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1					7.14						
-Cc1cccc(-c2nn(O)cc2C2CCNCC2)c1	5.72										
-Cc1cccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)c1	6.885										
-Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)c1	8.49										
-Cc1cccc(-c2noc(C3CCCN(C(=O)C4CCC4)C3)n2)c1					5.745						
-Cc1cccc(-c2noc(C3CCCN3C(=O)C3CCC3)n2)c1					5.62						
-Cc1cccc(-c2noc(C3CCN3C(=O)Cc3ccc(F)cc3)n2)c1					5.72						
-Cc1cccc(-c2noc(C3CCN3C(=O)c3cc(F)c(F)cc3)n2)c1					5.82						
-Cc1cccc(-c2noc(C3CCN3C(=O)c3ccc(C#N)cc3)n2)c1					5.85						
-Cc1cccc(-c2noc(C3CCN3C(=O)c3ccccc3F)n2)c1					5.75						
-Cc1cccc(-c2noc(C3CN(C(=O)c4c(F)cccc4)C3)n2)c1					5.85						
-Cc1cccc(-c2noc(C3CN(C(=O)c4ccc(Cl)cc4)C3)n2)c1					5.15						
-Cc1cccc(-c2noc(C3CN(C(=O)c4ccc(F)cc4)C3)n2)c1					5.85						
-Cc1cccc(-c2noc(C3CN(C(=O)c4cccc(F)c4)C3)n2)c1					5.68						
-Cc1cccc(-n2cnc3c(scc3-c3ccccc3)c2=O)c1						6.74					
-Cc1cccc(-n2ncc3c2nc(C)n(-c2ccc(Cl)cc2)c3=O)c1					4.0	6.747999999999999					
-Cc1cccc(-n2nnc(C(C)Oc3nnc(-c4cnnc(O)c4)n3C)n2)c1					8.15						
-Cc1cccc(C#CC(C)Nc2cc(Cl)ccc2)n1					6.15						
-Cc1cccc(C#CC(C)Oc2cc(Cl)ccc2)n1					6.55						
-Cc1cccc(C#CC(C)Sc2cc(Cl)ccc2)n1					6.93						
-Cc1cccc(C#CC(Sc2cc(Cl)ccc2)C(C)C)n1					6.34						
-Cc1cccc(C#CC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1					8.28						
-Cc1cccc(C#CCC(C)c2ccccc2)n1					7.23						
-Cc1cccc(C#CCCc2ccccc2)n1					7.11						
-Cc1cccc(C#Cc2ccc(N3CCC(C)(C)OC3=O)nc2)c1					7.62						
-Cc1cccc(C#Cc2ccccc2)n1		4.75	4.0	5.0	7.96	7.442	4.0		4.0	4.0	4.0
-Cc1cccc(C#Cc2csc(C)n2)c1					7.89						
-Cc1cccc(C#Cc2nncc(C)n2)c1					8.64						
-Cc1cccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)n1					5.52						
-Cc1cccc(C(=O)NC23CCCC(C(=O)Nc4ccnc(C)n4)(CC2)C3)n1					6.925						
-Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1					8.0						
-Cc1cccc(C(=O)NC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1					8.45						
-Cc1cccc(C(=O)NC23CCCC(NC(=O)c4ccncc4)(CC2)C3)c1					7.005						
-Cc1cccc(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)n1					6.39						
-Cc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1					6.0						
-Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1					7.05						
-Cc1cccc(C(=O)Nc2cccc(C)n2)c1					5.23						
-Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1					4.523						
-Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)n1					4.523						
-Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1					4.9						
-Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)c1					6.88						
-Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)n2)n1					5.6						
-Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)c1					7.06						
-Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)n1					4.523						
-Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1					5.0						
-Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1					4.523						
-Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1					5.0						
-Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1					6.78						
-Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)n1					4.523						
-Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)c1					6.995						
-Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)n2)n1					4.523						
-Cc1cccc(C)c1-c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1					6.06						
-Cc1cccc(C)c1-c1cccc(-n2nnc(-c3ncccc3)n2)c1					6.02						
-Cc1cccc(C)c1NC(=N)Nc1c(C)cccc1C		4.5									
-Cc1cccc(C)c1O	3.8										
-Cc1cccc(C=Cc2ccccc2)n1			4.0	4.0	6.14		4.0		4.0	4.0	4.58
-Cc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1							6.747999999999999			7.1	
-Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	6.995										
-Cc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1		6.69									
-Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1					6.24						
-Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	7.5985000000000005										
-Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)n1	8.723749999999999										
-Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1	6.8475										
-Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1	7.545										
-Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1	7.325										
-Cc1cccc(COc2nn3c(-c4cocc4)nnc3c3c2C2CCC3CC2)n1	7.4275										
-Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1	6.3100000000000005										
-Cc1cccc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)n1	7.32										
-Cc1cccc(COc2nn3c(-c4nc(-c5ccccc5)no4)nnc3c3c2C2CCC3CC2)n1	6.7625										
-Cc1cccc(COc2nn3c(-c4nc(-c5ccncc5)no4)nnc3c3c2C2CCC3CC2)n1	7.234999999999999										
-Cc1cccc(COc2nn3c(-c4nc(-c5cnccc5)no4)nnc3c3c2C2CCC3CC2)n1	7.105										
-Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1	7.109999999999999										
-Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1	7.96125										
-Cc1cccc(COc2nn3c(-c4ncccc4)nnc3c3c2C2CCC3CC2)n1	6.9325										
-Cc1cccc(COc2nn3c(-c4nccnc4)nnc3c3c2C2CCC3CC2)n1	7.835										
-Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1	6.15										
-Cc1cccc(COc2nn3c(-c4nn(C)cn4)nnc3c3c2C2CCC3CC2)n1	6.1675										
-Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3C2)n1	7.4425										
-Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2C2CCC3CC2)n1	7.3375										
-Cc1cccc(COc2nn3c(-c4noc(C)c4)nnc3c3c2cccc3)n1	8.9625										
-Cc1cccc(COc2nn3c(C4CC4)nnc3c3c2cccc3)n1	8.265										
-Cc1cccc(N2C(=O)CN(Cc3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)C2=O)c1		7.35									
-Cc1cccc(NC(=N)Nc2cc(C)ccc2)c1		6.455									
-Cc1cccc(NC(=O)C23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)n1					6.89						
-Cc1cccc(NC(=O)C23CCCC(NC(=O)c4nc(C)cs4)(CC2)C3)n1					7.76						
-Cc1cccc(NC(=O)NC2=NC(=O)C3CCCN23)c1C					5.0						
-Cc1cccc(NC(=O)c2c(Nc3cccnc3)sc(C)n2)n1					8.05						
-Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1					7.33						
-Cc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1					6.97						
-Cc1cccc(NC(=O)c2nc(Br)ccc2)n1					7.68						
-Cc1cccc(NC(=O)c2nc(Br)cs2)n1					6.8						
-Cc1cccc(NC(=O)c2nc(C)ccc2N)n1					7.66						
-Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cnccc2)n1					7.96						
-Cc1cccc(NC(=O)c2nc(C)cnc2N)n1					8.1						
-Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1					8.3						
-Cc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2C)n1					8.36						
-Cc1cccc(Nc2c(OC(C)C)cccn2)n1					6.0						
-Cc1cccc(Nc2c3ncccc3n[nH]2)c1											7.29
-Cc1cccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)c1					6.16						
-Cc1cccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)c1					5.982						
-Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1						4.0					
-Cc1cccc(Nc2ncccc2OCc2ccccc2)n1					6.06						
-Cc1cccc(OCc2c(C)onc2-c2ccccc2)n1	8.51										
-Cc1cccc(S(=O)(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)c1					6.41						
-Cc1cccc(S(=O)(=O)N2CC=C(C#Cc3ncccc3)CC2)c1					8.09						
-Cc1cccc(S(=O)(=O)c2c(C)nc(NC(=O)c3ccccn3)s2)c1											5.16
-Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c1											6.79
-Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)c1											6.63
-Cc1cccc2c1[nH]c1c2ncc2c1c1c(cccc1)[nH]2	7.169999999999999										
-Cc1cccc2c1c1nnc(-c3ccccc3)n1nc2OCc1ncccc1	9.0425										
-Cc1cccc2c1nc(-c1ccccc1)[nH]2		4.3									
-Cc1ccccc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C							7.24				
-Cc1ccccc1-c1nn(O)cc1C1CCNCC1	5.58										
-Cc1ccccc1C#Cc1c2COc3c(cccc3)-n2cn1	5.5				5.675						
-Cc1ccccc1C#Cc1ccc2C(=O)N(C3CCCC3)CCc2n1					5.9910000000000005						
-Cc1ccccc1C#Cc1ccc2C(=O)NCCc2c1					6.21						
-Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C(C)C)CC2					6.091						
-Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C)CC2					6.11						
-Cc1ccccc1C#Cc1nc2c(cc1)C(=O)N(C1CCCCC1)CC2					6.331						
-Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ncccc2)cc1Cl											6.02
-Cc1ccccc1C=Cc1nc(N)ncc1											4.523
-Cc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1		6.642									
-Cc1ccccc1CS(=O)(=O)c1c(C)nc(NC(=O)c2ccccn2)s1											6.15
-Cc1ccccc1N1CC(c2nc(-c3cccc(Cl)c3)no2)CC1=O					6.43						
-Cc1ccccc1OCC1CN(c2ccccc2)C(=O)O1							4.523				
-Cc1cccnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12					7.96						
-Cc1cccnc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1					5.0						
-Cc1cccnc1C(=O)NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1					5.11						
-Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.6825										
-Cc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2	8.83										
-Cc1cccnc1NC(=O)NC1=NC(=O)CN1C					5.72						
-Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C	8.5325										
-Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1					5.5						
-Cc1ccnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)c1					7.082000000000001						
-Cc1ccnc(Nc2nc(-c3c[nH]nc3)c(C)s2)n1											7.84
-Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12					9.05	4.52					
-Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12					8.0						
-Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.51				
-Cc1ccnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C	5.0										
-Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12					7.58						
-Cc1cn(C)c(-c2cc(Cl)c(Nc3ccc(Cl)cc3)nc2)n1					5.54						
-Cc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1					6.82	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)cn1					7.44	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cccnc4)C3=C2)cn1					6.89	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)cn1					6.84	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(C)o4)C3=C2)cn1					7.11	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)cn1					6.78	5.13					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncnc4)C3=C2)cn1					6.27	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncs4)C3=C2)cn1					7.14	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4coc(C)n4)C3=C2)cn1					6.94	5.0					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4Cl)C3=C2)cn1					6.22	5.8					
-Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c(C)n1					6.15	5.85					
-Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1							6.77				
-Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1	6.205										
-Cc1cn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nn1	5.523										
-Cc1cn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1	6.92										
-Cc1cn2c(CC(=O)N(C)C)c(-c3ccc(F)cc3)nc2cc1	6.62										
-Cc1cn2cc(-c3nc(C)no3)cc2c(C#Cc2ccccc2)n1					8.2						
-Cc1cn2cc(C#N)cc2c(C#Cc2cccc(C(F)(F)F)c2)n1					7.8						
-Cc1cn2cc(C#N)cc2c(C#Cc2cccc(F)c2)n1					9.1						
-Cc1cn2cc(C#N)cc2c(C#Cc2ccccc2)n1					8.9						
-Cc1cn2cc(C#N)cc2c(C#Cc2ccccc2F)n1					8.5						
-Cc1cn2cc(C#N)cc2c(C#Cc2cscc2)n1					9.4						
-Cc1cn2cc(C(=O)N3C(C)CCC3C)cc2c(C#Cc2cscc2)n1					6.4						
-Cc1cn2cc(C(=O)N3CC(C)OC(C)C3)cc2c(C#Cc2cscc2)n1					6.5						
-Cc1cn2cc(C(=O)N3CC4CC3CN4C)cc2c(C#Cc2cscc2)n1					5.4						
-Cc1cn2cc(C(=O)N3CC4CCC3C4)cc2c(C#Cc2cscc2)n1					6.2						
-Cc1cn2cc(C(=O)N3CCC(F)(F)C3)cc2c(C#Cc2cscc2)n1					6.9						
-Cc1cn2cc(C(=O)N3CCCC3(C)C)cc2c(C#Cc2cscc2)n1					5.9						
-Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1					6.8						
-Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cccc(F)c2)n1					7.7						
-Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2)n1					7.1						
-Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccccc2F)n1					6.6						
-Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2cscc2)n1					7.7						
-Cc1cn2cc(C(=O)N3CCCC3C)cc2c(C#Cc2cscc2)n1					7.4						
-Cc1cn2cc(C(=O)N3CCCCC3C)cc2c(C#Cc2cscc2)n1					7.0						
-Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1					6.6						
-Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cccc(F)c2)n1					6.7						
-Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2ccccc2)n1					7.0						
-Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2ccccc2F)n1					5.9						
-Cc1cn2cc(C(=O)N3CCN(C)CC3)cc2c(C#Cc2cscc2)n1					6.8						
-Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1					7.9						
-Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cccc(F)c2)n1					7.7						
-Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2ccccc2)n1					7.8						
-Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2ccccc2F)n1					6.9						
-Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2cscc2)n1					8.0						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(C(F)(F)F)cccc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(Cl)cccc2)n1					5.3						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(F)cc(F)cc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2c(F)cccc2)n1					6.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(Br)ccc2)n1					7.6						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C#N)ccc2)n1					7.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C(=O)O)ccc2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1					6.5						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(Cl)ccc2)n1					7.0						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(F)ccc2)n1					7.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc(NS(C)(=O)=O)ccc2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(C#N)cc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(C(F)(F)F)cc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(Cl)cc2)n1					5.7						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(F)cc2)n1					7.0						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(NS(C)(=O)=O)cc2)n1					4.8						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3c(C)onc3C)c2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3c[nH]nc3)c2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cn(C)nc3)c2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cocc3)c2)n1					5.0						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3conc3)c2)n1					6.1						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(-c3cscc3)c2)n1					5.3						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccc(C(=O)OC(C)(C)C)c2)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccccc2)n1					7.4						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cccs2)n1					7.2						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccncc2)n1					7.1						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cnccc2)n1					6.3						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cncn2C)n1					4.9						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cocc2)n1					7.3						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cscc2)n1					8.0						
-Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ncccc2)n1					7.3						
-Cc1cn2cc(C(N)=O)cc2c(C#Cc2cc(C(F)(F)F)ccc2)n1					7.1						
-Cc1cn2cc(C(N)=O)cc2c(C#Cc2ccccc2F)n1					6.3						
-Cc1cn2cc(C(N)=O)cc2c(C#Cc2cscc2)n1					7.3						
-Cc1cn2cc(C)nc(C#Cc3cc(C(F)(F)F)ccc3)c2c1					6.8						
-Cc1cn2cc(C)nc(C#Cc3ccc(C#N)cc3)c2c1					4.8						
-Cc1cn2cc(C)nc(C#Cc3ccc(C(F)(F)F)cc3)c2c1					4.8						
-Cc1cn2cc(C)nc(C#Cc3ccc(Cl)cc3)c2c1					5.4						
-Cc1cn2cc(C)nc(C#Cc3ccc(F)cc3)c2c1					6.4						
-Cc1cn2cc(C)nc(C#Cc3ccccc3)c2c1					7.3						
-Cc1cn2cc(C)nc(C#Cc3cnccc3)c2c1					5.7						
-Cc1cn2cc(C)nc(C#Cc3cscc3)c2c1					7.2						
-Cc1cn2cc(CN3CCCCC3)cc2c(C#Cc2ccccc2)n1					6.8						
-Cc1cn2cc(CN3CCN(C)CC3)cc2c(C#Cc2ccccc2)n1					6.3						
-Cc1cn2cc(CN3CCNC(=O)C3)cc2c(C#Cc2ccccc2)n1					6.7						
-Cc1cn2cccc2c(C#Cc2cc(O)ccc2)n1					6.5						
-Cc1cn2cccc2c(C#Cc2ccc(Br)cc2)n1					4.9						
-Cc1cn2cccc2c(C#Cc2ccc(Cl)cc2)n1					6.2						
-Cc1cn2cccc2c(C#Cc2ccc(F)cc2)n1					7.8						
-Cc1cn2cccc2c(C#Cc2ccccc2)n1					8.6						
-Cc1cn2cccc2c(C#Cc2cncc3ccccc23)n1					4.9						
-Cc1cn2cccc2c(C#Cc2cncnc2)n1					5.7						
-Cc1cn2nc(C(=O)N3CCc4c(CC3)scn4)cc2nc1					5.85						
-Cc1cnc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)s1							7.12				
-Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1					7.77	5.96					
-Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)o1					6.88						
-Cc1cnc(-c2ncnc(-c3cc(C#N)cc(Cl)c3)c2)cc1					8.45						
-Cc1cnc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1					4.52						
-Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1	8.9475										
-Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.9399999999999995										
-Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1	7.717499999999999										
-Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	8.5225										
-Cc1cnc(N)nc1C=Cc1ccccc1											6.7
-Cc1cnc(N2CCc3c(cccc3)C2)cc1		5.7700000000000005									
-Cc1cnc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1					6.725						
-Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1					5.51						
-Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1					5.57						
-Cc1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cc1											5.0
-Cc1cnc(Nc2nc3c(CCc4c-3cn[nH]4)s2)cc1											5.0
-Cc1cncc(C#CC23CC4CC(C2)CC(NC(=O)c2cccc(F)c2)(C4)C3)n1					5.89						
-Cc1cncc(C#Cc2csc(C)n2)c1					8.52						
-Cc1cncc(C(=O)NC23CC4CC(CC(C#Cc5cccnc5)(C4)C2)C3)n1					8.42						
-Cc1cncc(C(=O)NC23CCCC(NC(=O)c4cccc(F)c4)(CC2)C3)n1					7.303						
-Cc1cncc(C(=O)Nc2ncccc2)n1					6.782						
-Cc1cncc(Nc2c3ncccc3n[nH]2)c1											5.13
-Cc1cnccc1-c1cn(-c2ccccc2)nc1											5.291
-Cc1cnccc1NC(=O)NC1=NC(=O)CN1C					5.685						
-Cc1cnnc(C#Cc2ccc(-c3ccccc3)cc2)n1					6.291						
-Cc1cnnn1CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4C3CCC12C	5.745										
-Cc1coc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)n1					6.83						
-Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	7.72										
-Cc1csc(-c2cc(-c3c(C)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.870000000000001										
-Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2=O)n1	8.425										
-Cc1csc(-c2cc(-c3c(F)cccc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.41										
-Cc1csc(-c2cc(-c3cc4c(cccc4)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.481										
-Cc1csc(-c2cc(-c3ccc(C#N)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.39										
-Cc1csc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.481										
-Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1	9.55										
-Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1	7.717499999999999										
-Cc1csc(-c2cc(-c3ccc[nH]3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.245000000000001										
-Cc1csc(-c2cc(-c3ccccc3)c3-c4c(ccnc4)CCCn3c2=O)n1	9.357000000000001										
-Cc1csc(-c2cc(-c3cccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1	8.46										
-Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1	7.515										
-Cc1csc(-c2cc(-c3ccncc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.270166666666666										
-Cc1csc(-c2cc(-c3cnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.45										
-Cc1csc(-c2cc(-c3cncnc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.865										
-Cc1csc(-c2cc(-c3cnncc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.190000000000001										
-Cc1csc(-c2cc(-c3cocc3)c3-c4c(ccnc4)CCCn3c2=O)n1	8.385										
-Cc1csc(-c2cc(-c3nccn3C)c3-c4c(ccnc4)CCCn3c2=O)n1	7.8100000000000005										
-Cc1csc(-c2cc(-c3ncncc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.99										
-Cc1csc(-c2cc(-c3nn(C)cc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.85										
-Cc1csc(-c2cc(-c3nnccc3)c3-c4c(ccnc4)CCCn3c2=O)n1	7.67										
-Cc1csc(-c2cnc3ccn(Cc4ccc(C(F)(F)F)o4)c3c2)c1		7.7									
-Cc1csc(-c2cnc3ccn(Cc4cccnn4)c3c2)c1		7.7									
-Cc1csc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1	6.8575										
-Cc1csc(C#CC23CC4CC(C2)CC(NC(=O)c2nn(C)cc2)(C4)C3)n1					6.92						
-Cc1csc(C#Cc2ccccc2)n1					7.89						
-Cc1csc(C#Cc2cnccc2)n1					7.921						
-Cc1csc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)n1					7.815						
-Cc1csc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)n1					8.26						
-Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	7.5775										
-Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1					7.96						
-Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1					7.675						
-Cc1csc(NC(=O)c2cc(N(C)c3cncnc3)cc(F)c2)n1					7.11						
-Cc1csc(NC(=O)c2cc(N(C)c3cncnc3)ccn2)n1					5.72						
-Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1					7.0						
-Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1					7.19						
-Cc1csc(NC(=O)c2cccc(Cl)c2)n1					4.82						
-Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1					5.67						
-Cc1csc(NC(=O)c2nc(C)cc3c2[nH]cc3)n1					8.4						
-Cc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1					7.79						
-Cc1cscc1-c1cc(C(N)=O)nc2c1cccc2							6.19				
-Cc1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccc(F)cc2)c3C#N)c1						5.61					
-Cc1n[nH]c(C(=O)N2CCc3c(C2)sc(NCc2ccccc2)c3C#N)c1						5.85					
-Cc1n[nH]c(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1											5.62
-Cc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1							7.21			6.79	
-Cc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1		4.666666666666667									
-Cc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1		4.94									
-Cc1nc(-c2c(NC(=O)C3CC3C)snc2-c2cc3cn(C)nc3cc2)ccc1					7.35	5.66					
-Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(Cl)c4)-n3cn2)ccc1	7.51										
-Cc1nc(-c2c3Cn4ncnc4-c4c(ccc(F)c4)-n3cn2)no1	9.7										
-Cc1nc(-c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)n[nH]1	8.96										
-Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)co1					7.75	5.48					
-Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)n4)C=C32)co1					7.04	5.0					
-Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CCC5)n4)C=C32)co1					7.64	5.72					
-Cc1nc(-c2ccccn2)nc(Sc2ccc(Cl)cc2)c1					5.902						
-Cc1nc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)ccc1					6.41						
-Cc1nc(-c2noc(C3CC(=O)N(c4ccc(Cl)cc4)C3)n2)ccc1					5.0						
-Cc1nc(-c2noc(C3CC(=O)N(c4ccc(F)cc4)C3)n2)ccc1					5.0						
-Cc1nc(-n2c(C)ccc2C)cc(OCc2cccc(Cl)c2)c1					5.523						
-Cc1nc(C#CC(=O)Nc2ccccc2)ccc1					5.0						
-Cc1nc(C#CC=C2CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)ccc1					6.58						
-Cc1nc(C#CC=C2CCN(c3ccccc3)CC2)ccc1					7.4						
-Cc1nc(C#CC=C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1					8.75						
-Cc1nc(C#CC=C2CCN(c3ncc(-c4ccccc4)cc3C#N)CC2)ccc1					8.655						
-Cc1nc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1					9.2						
-Cc1nc(C#CCCCc2ccccc2)ccc1					6.59						
-Cc1nc(C#CCCc2cc(Cl)ccc2)ccc1					8.3						
-Cc1nc(C#CCN(C)c2ccccc2)ccc1					5.171						
-Cc1nc(C#CCNC(=O)Nc2cccc(Cl)c2)ccc1					5.0						
-Cc1nc(C#CCNC(=O)c2cc(Cl)ccc2)ccc1					5.582000000000001						
-Cc1nc(C#CCNc2cccc(Cl)c2)ccc1					6.76						
-Cc1nc(C#CCNc2ccccc2)ccc1					6.651						
-Cc1nc(C#CCOc2cc(Cl)c(Cl)cc2)ccc1					7.822						
-Cc1nc(C#CCOc2cc(O)nc3ccccc23)ccc1					6.082000000000001						
-Cc1nc(C#CCOc2ccc(C(C)C)cc2)ccc1					7.081						
-Cc1nc(C#CCOc2ccc(Cl)cc2)ccc1					6.99						
-Cc1nc(C#CCOc2ccc3CCCCc3c2)ccc1					7.442						
-Cc1nc(C#CCOc2cccc(Cl)c2)ccc1					7.0						
-Cc1nc(C#CCOc2cccc([N+](=O)[O-])c2)ccc1					6.38						
-Cc1nc(C#CCOc2ccccc2)ccc1					5.0						
-Cc1nc(C#CCOc2ccccc2Cl)ccc1					5.523						
-Cc1nc(C#CCOc2cnccc2)ccc1					5.0						
-Cc1nc(C#CCSc2cccc(Cl)c2)ccc1					7.37						
-Cc1nc(C#CCSc2ccccc2)ccc1					6.23						
-Cc1nc(C#CC[S+]([O-])c2ccccc2)ccc1					5.0						
-Cc1nc(C#Cc2c(Cl)cccc2)ccc1					8.06						
-Cc1nc(C#Cc2c(Cl)nccc2)cs1					7.341						
-Cc1nc(C#Cc2c(OS(C)(=O)=O)nccc2)cs1					5.0						
-Cc1nc(C#Cc2c3COc4c(cccc4)-n3cn2)ccc1	5.87				6.79						
-Cc1nc(C#Cc2cc(-c3ccc(F)cc3)cnc2)cs1					6.79						
-Cc1nc(C#Cc2cc(-c3ccccc3)cnc2)cs1					8.7						
-Cc1nc(C#Cc2cc(-c3ccncc3)cnc2)cs1					7.747999999999999						
-Cc1nc(C#Cc2cc(-c3cnccc3)cnc2)cs1					8.521						
-Cc1nc(C#Cc2cc(-c3ncccc3)cnc2)cs1					7.66						
-Cc1nc(C#Cc2cc(Br)ccc2)nnc1					8.221						
-Cc1nc(C#Cc2cc(C#N)ccc2)nnc1					7.282						
-Cc1nc(C#Cc2cc(C(F)(F)F)ccc2)nnc1					7.071000000000001						
-Cc1nc(C#Cc2cc(Cl)ccc2)ccc1					8.335						
-Cc1nc(C#Cc2cc(Cl)ccc2)nnc1					8.38						
-Cc1nc(C#Cc2cc(Cl)ncc2)c(C)n1-c1ccc(F)cc1	5.5				7.795						
-Cc1nc(C#Cc2cc(F)cc(-c3cnccc3)c2)cs1					8.57						
-Cc1nc(C#Cc2cc(F)cc(C#N)c2)cs1					9.05						
-Cc1nc(C#Cc2cc(F)cc(F)c2)cs1					7.6						
-Cc1nc(C#Cc2cc(F)ccc2)c(N)cc1					7.5						
-Cc1nc(C#Cc2cc(F)ccc2)nnc1					7.02						
-Cc1nc(C#Cc2cc3c(cccc3)s2)ccc1					6.5120000000000005						
-Cc1nc(C#Cc2ccc(-c3ccc(F)cc3)nc2)cs1					7.99						
-Cc1nc(C#Cc2ccc(-c3ccccc3)cc2)cs1					7.66						
-Cc1nc(C#Cc2ccc(-c3cccnc3)c(F)c2)cs1					7.94						
-Cc1nc(C#Cc2ccc(Cl)cc2)ccc1					6.265						
-Cc1nc(C#Cc2ccc(F)c(C)c2)nnc1					6.88						
-Cc1nc(C#Cc2ccc(F)cc2)cs1					5.53						
-Cc1nc(C#Cc2ccc(F)cn2)cs1					5.96						
-Cc1nc(C#Cc2ccc(OS(C)(=O)=O)nc2)cs1					5.63						
-Cc1nc(C#Cc2ccc(Oc3ccccc3)cc2)nnc1					7.1						
-Cc1nc(C#Cc2ccc3[nH]ccc3c2)cs1					5.0						
-Cc1nc(C#Cc2ccc3nccnc3c2)cs1					5.0						
-Cc1nc(C#Cc2cccc(-c3ccccc3)c2)cs1					7.39						
-Cc1nc(C#Cc2cccc(C#N)c2)cs1					9.297						
-Cc1nc(C#Cc2cccc(C(F)(F)F)c2)cs1					6.382000000000001						
-Cc1nc(C#Cc2cccc(C(N)=O)c2)cs1					6.0						
-Cc1nc(C#Cc2cccc(Cl)c2)cs1					6.89						
-Cc1nc(C#Cc2cccc(F)c2)co1					5.0						
-Cc1nc(C#Cc2cccc(F)c2)cs1					7.64						
-Cc1nc(C#Cc2cccc(O)c2)cs1					6.182						
-Cc1nc(C#Cc2cccc(OC(F)(F)F)c2)cs1					6.58						
-Cc1nc(C#Cc2cccc3ccccc23)nnc1					5.05						
-Cc1nc(C#Cc2ccccc2)c2COc3c(cccc3)-n12	5.5				7.75						
-Cc1nc(C#Cc2ccccc2)cs1					8.4						
-Cc1nc(C#Cc2ccccc2)nnc1					6.852						
-Cc1nc(C#Cc2ccccc2-c2ccccc2)cs1					6.372000000000001						
-Cc1nc(C#Cc2ccccc2C)cs1					7.822						
-Cc1nc(C#Cc2ccccc2F)cs1					6.852						
-Cc1nc(C#Cc2cccnc2)cs1		3.523			7.54	4.0					
-Cc1nc(C#Cc2cccs2)cs1					6.322						
-Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1c(F)cc(F)cc1	5.5				7.64						
-Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1	5.5				7.85						
-Cc1nc(C#Cc2ccncc2)ccc1					7.125						
-Cc1nc(C#Cc2ccncc2)cs1					6.9						
-Cc1nc(C#Cc2cnc(-c3ccccc3)cc2)cs1					9.3						
-Cc1nc(C#Cc2cnc(-c3cccnc3)cc2)cs1					8.413						
-Cc1nc(C#Cc2cnc(-c3ccncc3)cc2)cs1					7.54						
-Cc1nc(C#Cc2cnc(-c3ncccc3)cc2)cs1					8.4						
-Cc1nc(C#Cc2cnc(Cl)cc2)cs1					5.0						
-Cc1nc(C#Cc2cnc(F)cc2)cs1					6.08						
-Cc1nc(C#Cc2cnc3ccccc3c2)cs1					5.0						
-Cc1nc(C#Cc2cncc(Br)c2)cs1					7.221						
-Cc1nc(C#Cc2cncc(C#CCO)c2)cs1					7.162000000000001						
-Cc1nc(C#Cc2cncc(OCC(=O)NCCCCCN(C)CCCCCCCCN=[N+]=[N-])c2)cs1					5.353						
-Cc1nc(C#Cc2cnccc2)c(-c2ccccc2)s1					5.0						
-Cc1nc(C#Cc2cnccc2)c(C)s1					6.16						
-Cc1nc(C#Cc2cnccc2)ccc1					7.59						
-Cc1nc(C#Cc2cnccc2)co1					5.0						
-Cc1nc(C#Cc2cnccn2)cs1					5.74						
-Cc1nc(C#Cc2cncnc2)cs1					6.022						
-Cc1nc(C#Cc2cscc2)cs1					6.471						
-Cc1nc(C#Cc2ncccc2)ccc1					6.905						
-Cc1nc(C#Cc2ncccc2)cs1					7.28						
-Cc1nc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1					6.8						
-Cc1nc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)cs1					6.66						
-Cc1nc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)cs1					7.5						
-Cc1nc(C(=O)NC2CCCC3(CN=C(c4cc(Cl)ccc4)O3)C2)ccc1					6.34						
-Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1					7.0520000000000005						
-Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1					7.112						
-Cc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1					6.761						
-Cc1nc(C(=O)Nc2cccc(F)c2)cs1					5.0						
-Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1					7.62						
-Cc1nc(C(=O)Nc2ccccn2)c(N)nc1					7.551						
-Cc1nc(C(=O)Nc2ccccn2)c2[nH]ccc2c1					7.96						
-Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1					7.21						
-Cc1nc(C(=O)Nc2cnccc2)cs1					5.0						
-Cc1nc(C(=O)Nc2nc(C)c(O)cc2)c(Nc2cccnc2)s1					6.96						
-Cc1nc(C(=O)Nc2nc(CO)ccc2)c(Nc2cccnc2)s1					7.17						
-Cc1nc(C(=O)Nc2nc(Cl)ncc2)c(C)n1-c1ccc(F)cc1					7.392						
-Cc1nc(C(=O)Nc2ncc(F)cc2)c(Nc2cccnc2)s1					7.89						
-Cc1nc(C(=O)Nc2ncc(F)cc2)c(Nc2cncnc2)s1					7.51						
-Cc1nc(C(=O)Nc2nn(C)cc2)c2[nH]cc(-c3ccccn3)c2c1					7.19						
-Cc1nc(C(=O)Nc2nn(C)cc2)c2[nH]ccc2c1					6.172000000000001						
-Cc1nc(C)c(Oc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1							8.5				
-Cc1nc(C)c(Oc2c(Cl)cc(-c3c(C)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.782999999999999				
-Cc1nc(C)c(Oc2c(Cl)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1							8.377				
-Cc1nc(C)c(Oc2c(F)cc(-c3c(C(C)C)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.707000000000001				
-Cc1nc(C)c(Oc2c(F)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)cc1							8.417				
-Cc1nc(C)c(Oc2c(F)cc(-c3c(C)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.59				
-Cc1nc(C)c(Oc2c(F)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)cc1							8.037				
-Cc1nc(C)c(Oc2c(F)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)cc1							7.973				
-Cc1nc(C)c(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)cc1							6.58				
-Cc1nc(C)c(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)cc1							7.0				
-Cc1nc(C=Cc2ccccc2)ccn1											5.16
-Cc1nc(C=Cc2cnccc2)cs1					5.51						
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(C)c3)n2)c1							7.78				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(Cl)c3)n2)c1							7.88				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(Cl)c(F)c3)n2)c1							7.66				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C#N)c3)n2)c1							8.31				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)c1							8.4				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)c1							7.73				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)cc3)n2)c1							8.36				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)c1							8.28				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(C)c3)n2)c1							8.33				
-Cc1nc(CF)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC4CC4)c(Cl)c3)n2)c1							8.28				
-Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(C)c3)n2)c1							7.75				
-Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)(F)F)c(F)c3)n2)c1							7.0				
-Cc1nc(CO)cc(-c2c3CCOC(C)Cn3c(-c3ccc(OC(F)F)c(C)c3)n2)c1							7.53				
-Cc1nc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)ccc1					7.8						
-Cc1nc(COc2cc(=O)n3cc(Oc4cnccc4)ccc3n2)ccc1					7.51						
-Cc1nc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1	7.1975										
-Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O					5.523	7.96					
-Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O					5.523	7.17					
-Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O					5.523	7.8					
-Cc1nc(N)ccc1C(=O)O	5.86										
-Cc1nc(N2CCN(c3c(C#N)c4ncc(CC(F)(F)F)n4cc3)CC2)nc(C)c1							6.35				
-Cc1nc(N=Nc2ccccc2)c(O)cc1			4.0	4.0	6.43		4.0		4.0	4.0	4.0
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(C(F)(F)F)cc3)c(C)n2)ccc1					7.33						
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(Cl)c(Cl)c3)c(C)n2)ccc1					8.24						
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(C)n2)ccc1					7.77						
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(C)n2)ccc1					7.84						
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)cc3)c(C)n2)ccc1					7.89						
-Cc1nc(NC(=O)c2c(C)n(-c3ccc(F)cc3)c(C)n2)ccc1F					6.86						
-Cc1nc(NC(=O)c2c3CCCCc3nn2C)ccc1					6.0						
-Cc1nc(NC(=O)c2cc(Br)ccc2)ccc1					5.261						
-Cc1nc(NC(=O)c2cc(C#N)c(-c3cccc(F)c3)cc2)ccc1					7.66						
-Cc1nc(NC(=O)c2cc(F)cc(F)c2)ccc1					5.12						
-Cc1nc(NC(=O)c2cc(I)ccc2)ccc1					4.97						
-Cc1nc(NC(=O)c2cc(N(C)c3cncnc3)ccn2)ccc1					5.67						
-Cc1nc(NC(=O)c2ccc(-c3cccc(C#N)c3)cc2)ccc1					5.0						
-Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3)cc2)ccc1					5.48						
-Cc1nc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)ccc1					8.01						
-Cc1nc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1					5.16						
-Cc1nc(NC(=O)c2ccc(Br)cc2)ccc1					5.0						
-Cc1nc(NC(=O)c2ccc(C#N)cc2)ccc1					5.0						
-Cc1nc(NC(=O)c2ccc(F)c(F)c2)ccc1					5.0						
-Cc1nc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)ccc1					5.0						
-Cc1nc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1					5.14						
-Cc1nc(NC(=O)c2cccc(-c3ccccc3)c2)ccc1					4.74						
-Cc1nc(NC(=O)c2cccc(C#N)c2)ccc1					5.273						
-Cc1nc(NC(=O)c2cccc(C)n2)ccc1					7.497999999999999						
-Cc1nc(NC(=O)c2cccc3c2nc(O)o3)ccc1					7.12						
-Cc1nc(NC(=O)c2cccc3c2nc(O)o3)ccn1					5.71						
-Cc1nc(NC(=O)c2cccc3c2nc(O)o3)cs1					6.6						
-Cc1nc(NC(=O)c2nc(C)c(-c3ccccn3)c3c2[nH]cc3)ccc1					6.11						
-Cc1nc(NC(=O)c2nc(C)c(C)c3c2[nH]cc3)ccc1					5.569						
-Cc1nc(NC(=O)c2nc(C)cc3c2[nH]c(-c2cnccc2)c3)ccc1					7.33						
-Cc1nc(NC(=O)c2nc(C)cc3c2[nH]cc3)ccc1					7.63						
-Cc1nc(NC(=O)c2nc(C)cc3c2[nH]cc3-c2ccccn2)ccc1					7.51						
-Cc1nc(NC(=O)c2nc(C)ccc2O)ccc1					8.152000000000001						
-Cc1nc(NC(=O)c2ncc(-c3ccccn3)cc2)ccc1					4.91						
-Cc1nc(NC(=O)c2nccc(-c3cc(C#N)ccc3)c2)ccc1					5.14						
-Cc1nc(NC(=O)c2nccc(-c3cc(F)cc(F)c3)c2)ccc1					6.8						
-Cc1nc(NC(=O)c2nccc3c2[nH]cc3)ccc1					5.51						
-Cc1nc(NC(=O)c2nccc3c2[nH]cc3-c2ccccn2)ccc1					6.27						
-Cc1nc(NC(=O)c2nn(C)c(-c3cc(F)cc(F)c3)c2C)ccc1					8.28						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2C)ccc1					7.42						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(Cl)c(Cl)c3)c2C)ccc1					8.64						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(Cl)cc3)c2C)ccc1					8.42						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)c(F)c3)c2C)ccc1					8.37						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1					8.96						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F					7.551						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)ccc1					8.431000000000001						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccc(N(C)C)cc3)c2C)ccc1					6.19						
-Cc1nc(NC(=O)c2nn(C)c(-c3cccc(Cl)c3)c2C)ccc1					8.33						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccccc3)c2)ccc1					7.021						
-Cc1nc(NC(=O)c2nn(C)c(-c3ccncc3)c2C)ccc1					7.15						
-Cc1nc(NC(=O)c2nn(C)c(C3CCCCC3)c2C)ccc1					7.601						
-Cc1nc(NC(=O)c2nn(C)c(OC3CCCCC3)c2C)ccc1					7.04						
-Cc1nc(NC(=O)c2nn(C)c(OCC3CCCCC3)c2C)ccc1					5.89						
-Cc1nc(NC(=O)c2nn(C)c(OCc3ccc(F)cc3)c2C)ccc1					6.04						
-Cc1nc(NC(=O)c2nn(C)c3c2CCCC3)ccc1					7.57						
-Cc1nc(NC(=O)c2nn(C)c3c2cccc3)ccc1					6.0						
-Cc1nc(Nc2ccc(C(=O)N3CCCCC3)cn2)ccc1					5.0						
-Cc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											6.852
-Cc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ncc1											7.291
-Cc1nc(Nc2nc3c(CCc4c-3cn[nH]4)s2)ccc1											6.04
-Cc1nc(OCc2c(C)onc2-c2ccccc2)ccc1C(=O)NC1CCOCC1	7.41										
-Cc1nc(OCc2cc(Cl)ccc2)cc(-c2c(CO)nco2)c1					7.551						
-Cc1nc(OCc2cccc(Cl)c2)cc(C#N)c1					8.525						
-Cc1nc2c(CCN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccccc3)CC2)s1					7.05						
-Cc1nc2c(CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)C2)o1					7.212999999999999						
-Cc1nc2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)s1					7.37						
-Cc1nc2c(CCN(C(=O)c3nn4cc(Cl)cnc4c3)CC2)s1					7.2						
-Cc1nc2c(CN(C(=O)Cn3cc(-c4cc(C)c(F)cc4)nc3-c3ccc(F)cc3)C2)s1					7.192						
-Cc1nc2c(c(N)c1C(=O)OCC1CC1)c1c(CC3(CC1)OCCO3)s2	6.06										
-Cc1nc2c(c(N)c1C(=O)OCCC1CC1)c1c(CC3(CC1)OCCO3)s2	6.62										
-Cc1nc2c(c(N)c1C(=O)OCc1ccc(Cl)cc1)c1c(CC3(CC1)OCCO3)s2	6.510000000000001										
-Cc1nc2c(c(N)c1C(=O)OCc1ccccc1)c1c(CC3(CC1)OCCO3)s2	5.849999999999999										
-Cc1nc2c(c(N)c1C(N)=O)c1c(cccc1)[nH]2	4.0										
-Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CC1CC1)cn2	5.05										
-Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCC1CC1)cn2	5.2										
-Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1n(CCc1ccc(Cl)cc1)cn2	5.57										
-Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2c1nc[nH]2	4.0										
-Cc1nc2c(c3c(CC4(CC3)OCCO4)s2)c2nn(Cc3ccccc3)c(O)c12	4.0										
-Cc1nc2c(ccc(-c3c(C)n(-c4cnccc4)nn3)c2)s1						5.822					
-Cc1nc2c(cccc2)n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.34				
-Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(Cl)c4)cc3)ccc2)cc1	5.0										
-Cc1nc2c(ccnc2)n1-c1ccc(OCc2cc(C=Cc3nc4c(ccc(F)c4)s3)ccc2)cc1	5.0										
-Cc1nc2c(cnn2-c2cc(Cl)ccc2)c(=O)n1-c1ccc(Cl)cc1					4.0	6.66					
-Cc1nc2c(cnn2-c2cc(S(N)(=O)=O)ccc2)c(=O)n1-c1ccc(Cl)cc1					4.0	6.9					
-Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1					4.0	5.96					
-Cc1nc2c(cnn2-c2ccc(S(N)(=O)=O)cc2)c(=O)n1-c1ccc(Cl)cc1					4.0	5.85					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1					4.0	7.11					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)c(F)c1					4.0	6.1					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1					5.02	6.62					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(O)cc1					4.0	5.62					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC(F)(F)F)cc1					4.0	4.0					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(S(N)(=O)=O)cc1					4.0	4.0					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1						4.0					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C1CCCCCC1						6.12					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCC1					5.551	7.04					
-Cc1nc2c(cnn2-c2ccccc2)c(=O)n1N1CCCCCC1					5.442	6.62					
-Cc1nc2c(cnn2-c2cnccc2)c(=O)n1-c1ccc(Cl)cc1					4.0	6.64					
-Cc1nc2c(cnn2-c2cncnc2)c(=O)n1-c1ccc(Cl)cc1					4.0	5.01					
-Cc1nc2c(cnn2-c2ncccc2)c(=O)n1-c1ccc(Cl)cc1					4.0	4.0					
-Cc1nc2c(cnn2-c2nccnc2)c(=O)n1-c1cnccn1					4.0	4.0					
-Cc1nc2c(cnn2C2CCCCCC2)c(=O)n1-c1ccc(Cl)cc1					4.0	6.282					
-Cc1nc2c(cnn2CC2CCCCC2)c(=O)n1-c1ccc(Cl)cc1					4.0	4.0					
-Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2cc1	9.5025										
-Cc1nc2ncc(-c3cccc(-c4ccccc4C#N)c3)n2nc1	8.870000000000001										
-Cc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)o1							5.79				
-Cc1ncc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)s1							8.05				
-Cc1ncc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)s1					7.47	5.41					
-Cc1ncc(-c2noc(C3CCc4c(C3)nnn4C(C)(C)C)n2)cc1					5.8						
-Cc1ncc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1					4.52						
-Cc1ncc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)s1					7.025						
-Cc1ncc(Nc2c(Cl)cc(-c3nc4c(cccc4)n3CC(C)C)cn2)cc1					6.96						
-Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCC(C)C3)cn2)cc1					6.745						
-Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCCC3)cn2)cc1					6.825						
-Cc1ncc(Nc2c(Cl)cc(C(=O)N3CCCCC3C)cn2)cc1					6.28						
-Cc1ncc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1					6.38						
-Cc1ncc(Nc2nc3c(cn2)C(=O)CC(C)C3)cc1					6.957000000000001						
-Cc1ncc(OCC#Cc2cccc(C)n2)cc1					5.602						
-Cc1ncc(Oc2c(Cl)cc(NC(=O)c3c(N)cccn3)cc2)cn1											7.37
-Cc1ncc2Cc3c(Cl)ncn3-c3c(cc(Br)cc3)-c2n1	7.21										
-Cc1ncc2Cc3c(Cl)ncn3-c3c(cccc3)-c2n1	7.81										
-Cc1nccc(-c2c3C(=O)N(c4ccc(C(C)O)cc4)CC(C)n3nc2)c1							4.3				
-Cc1nccc(-c2c3C(=O)N(c4ccc(C(F)(F)F)cc4)CC(C)n3nc2)c1							8.05				
-Cc1nccc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)c(C)c4)NC(=O)C3)c2)c1							7.39				
-Cc1nccc(-c2cccc(C3=Nc4c(cc(C(F)(F)F)cc4)NC(=O)C3)c2)c1							7.601				
-Cc1nccc(-c2ncc(C3CCCN3C(=O)c3cnccn3)c(C)c2)c1					6.431						
-Cc1nccc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)c1	5.5				7.605						
-Cc1nccc(C(=O)NC23CCCC(C#Cc4ccccn4)(CC2)C3)n1					7.885						
-Cc1nccc(CCCOc2ccc3oc(-c4cc5cccn5cn4)cc(=NO)c3c2)c1											7.72
-Cc1nccc(NC(=O)c2c(Nc3cccnc3)sc(C)n2)c1					7.36						
-Cc1nccc(NC(=O)c2c(Nc3cncnc3)sc(C)n2)c1					7.09						
-Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CC4CC4)cc3)cc2)c1							6.08				
-Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CC4CCC4)cc3)cc2)c1							6.9				
-Cc1nccc(Oc2ccc(-c3c(C#N)c(=O)n(CCC(C)C)cc3)cc2)c1							6.35				
-Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1					5.54						
-Cc1ncccc1N1CCC(Cc2ccc3oc(-c4ncc5ccsc5c4)cc(=NO)c3c2)CC1											8.4
-Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1		7.92									
-Cc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							7.27				
-Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2nocc12		5.0									
-Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12		5.0			5.51						
-Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12		5.0			5.0						
-Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12		5.0			5.0						
-Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2nocc12		5.0			5.0						
-Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12		5.0			5.0						
-Cc1nn(-c2ccccc2)c(=O)c2nocc12		5.0			5.0						
-Cc1nn(-c2ccccc2)c(C)c1-c1ccnc2ccccc12											6.08
-Cc1nn(-c2ccccc2)cc1-c1ccnc2ccccc12											6.32
-Cc1nn(C(C)C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											5.0
-Cc1nn(C)c(C)c1-c1cc(C(N)=O)nc2cc(CN3CC(C)OC(C(F)(F)F)C3)ccc12							7.07				
-Cc1nn(C)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.46
-Cc1nn(C)c2c1ccc(Nc1c3ncccc3n[nH]1)c2											7.11
-Cc1nn(C)cc1-c1cc(C(N)=O)nc2cc(CN3CC(C)OC(C(F)(F)F)C3)ccc12							8.1				
-Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4ccc(F)nc4)C3=C2)cn1					7.3	5.0					
-Cc1nn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1					6.87	5.0					
-Cc1nn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(F)cn4)C3=C2)cn1					7.32	5.0					
-Cc1nn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)cn1					9.0	6.2					
-Cc1nn(C2CCCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.58
-Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)cc1	5.438										
-Cc1nn(CC(=O)C2CCC3C4CCC5CC(C)(O)CCC5C4CCC23C)nc1	6.255										
-Cc1nn(CC2CCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.33
-Cc1nn(CCCC(=O)O)c(=N)c(-c2ccccc2)c1	4.97										
-Cc1nn(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1	8.4975										
-Cc1nn(Cc2cc(O)ns2)c(=N)c(-c2ccccc2)c1	5.59										
-Cc1nn(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1Br	5.0										
-Cc1nn(O)cc1C1CCNCC1	4.18										
-Cc1nn2Cc3c(C)ncn3-c3c(cc(Br)cc3)-c2n1	6.21										
-Cc1nn2c(C)c(C(C)OC(=O)Nc3ccccc3)oc2n1					7.4						
-Cc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.91										
-Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1		4.396666666666667									
-Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1		4.44									
-Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3c(F)cccc3)c3c(cccc3)-n12	6.099999999999999										
-Cc1nnc2CN=C(c3c(Cl)cccc3)c3c(ccc(Cl)c3)-n12	8.096										
-Cc1nnc2CN=C(c3ccccc3)c3c(ccc(Cl)c3)-n12	7.6274999999999995										
-Cc1nnc2c3c(cccc3)c(OCc3ncccc3)nn12	6.7524999999999995										
-Cc1nnc2ccc(-c3cc(C(F)(F)F)ccc3)nn12	6.311999999999999										
-Cc1noc(-c2ccc(OCc3c(C)onc3-c3ccccc3)nc2)n1	8.48										
-Cc1noc(-c2nnc3c4c(c(OCc5[n+]([O-])cccc5)nn23)C2CCC4CC2)n1	7.795										
-Cc1noc(-c2nnc3c4c(c(OCc5c(Br)cccc5)nn23)C2CCC4CC2)n1	8.055										
-Cc1noc(-c2nnc3c4c(c(OCc5c(C#N)cccc5)nn23)C2CCC4CC2)n1	8.6075										
-Cc1noc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)n1	8.305										
-Cc1noc(-c2nnc3c4c(c(OCc5nc(C)c(C)cc5)nn23)C2CCC4CC2)n1	8.2										
-Cc1noc(-c2nnc3c4c(c(OCc5ncc6ccccc6c5)nn23)C2CCC4CC2)n1	8.085										
-Cc1noc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)n1	7.595000000000001										
-Cc1noc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)n1	8.285										
-Cc1noc(C)c1-c1cc(F)cc(-n2nnc(-c3ncccc3)n2)c1					7.55						
-Cc1noc(C)c1-c1cccc(-n2nnc(-c3ncccc3)n2)c1					6.6						
-Cc1noc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)c1					6.05	4.301					
-Cc1noc(COc2nn(C)c3c2ccc(Nc2c4ncccc4n[nH]2)c3)c1											6.98
-Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	7.0875										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)c1	7.5175										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Br)cc4)-c3n2)n1	7.11										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(Cl)cc4)-c3n2)c1	9.22										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(O)cc4)-c3n2)c1	8.92										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cc(OC(F)(F)F)cc4)-c3n2)c1	7.96										
-Cc1noc(Cc2nn3Cc4c(C)ncn4-c4c(cccc4)-c3n2)c1	8.8										
-Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)c1							7.89				
-Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4CC(C)OC(C(F)(F)F)C4)ccc23)n1							6.0				
-Cc1nsc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)c1					7.75	5.0					
-Cc1nsc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1	7.1325										
-Cc1nsc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1						5.57					
-ClC(=Cn1cncn1)c1c(Cl)cc(Cl)cc1	4.96										
-ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl	8.015										
-Clc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.82						
-Clc1c(C(=Cn2cncn2)OC2CCCCCC2)c(Cl)ccc1					4.0	4.0	6.27			4.0	4.0
-Clc1c(COc2c(Cl)c3nnc(CC4CC4)n3cc2)cccc1							7.96				
-Clc1c(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cccc1	6.2675										
-Clc1c(Cl)c(-c2nc(-c3ccccn3)no2)ccc1					6.561						
-Clc1c(Cl)cc(-c2nc(-c3ncccc3)no2)cc1					5.0						
-Clc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							6.99				
-Clc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							6.03				
-Clc1c(NC2CC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.97				
-Clc1c(NC2CCOCC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.317				
-Clc1c(OC2CCOCC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.28				
-Clc1c(OC2CCc3c(cccc3)C2)ccn2c(CC3CC3)nnc12							7.75				
-Clc1c(OCCc2ccccc2)ccn2c(CC3CC3)nnc12							7.5				
-Clc1c(OCc2cc(-c3cncnc3)ccc2)ccn2c(CC3CC3)nnc12							6.14				
-Clc1c(OCc2ccc(-c3ccccc3)cc2)ccn2c(CC3CC3)nnc12							8.17				
-Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12							7.54				
-Clc1c(OCc2cccc(-c3ccccc3)c2)ccn2c(CC3CC3)nnc12							7.89				
-Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12							6.64				
-Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12							6.75				
-Clc1c(OCc2ccccc2-c2ccccc2)ccn2c(CC3CC3)nnc12							7.7				
-Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12							5.523				
-Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12							4.824				
-Clc1c2Cc3c(ncnc3)-c3c(ccc(Br)c3)-n2cn1	6.87										
-Clc1c2Cc3c(ncnc3)-c3c(cccc3)-n2cn1	7.81										
-Clc1c2Cn3cnnc3-c3c(ccc(Br)c3)-n2cn1	7.56										
-Clc1c2Cn3nccc3-c3c(cccc3)-n2cn1	8.7										
-Clc1c2Cn3ncnc3-c3c(ccc(-c4ccccc4)c3)-n2cn1	8.2										
-Clc1c2Cn3ncnc3-c3c(ccc(-n4ccnc4)c3)-n2cn1	7.89										
-Clc1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1	8.0025										
-Clc1c2Cn3ncnc3-c3c(ccc(C4CC4)c3)-n2cn1	8.92										
-Clc1c2Cn3ncnc3-c3c(ccc(NC4CC4)c3)-n2cn1	8.66										
-Clc1c2Cn3ncnc3-c3c(cccc3)-n2cn1	9.52										
-Clc1c2c(ccc1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	6.150000000000001										
-Clc1cc(-c2nc(-c3ncccc3)no2)cc(Cl)c1					6.85						
-Clc1cc(Cl)c(CNC2CCN(c3ncc(Br)cn3)C2)cc1							4.77				
-Clc1cc(Cl)c(N2CCN(CCOCc3ccccc3)CC2)cc1					4.602						
-Clc1cc(Cl)cc(Nc2c3ncccc3n[nH]2)c1											7.37
-Clc1cc(N(c2ncccn2)c2c3ncccc3n[nH]2)ccc1Oc1ncccn1											5.04
-Clc1cc(Nc2c3ncccc3n[nH]2)cc(Cl)c1Cl											6.14
-Clc1cc(Nc2c3ncccc3n[nH]2)ccc1OCc1ccccc1											6.37
-Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ccccn1											6.95
-Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1cnccn1											6.97
-Clc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ncccn1											6.94
-Clc1cc(Nc2c3ncccc3n[nH]2)ccn1											5.83
-Clc1cc(Nc2c3ncccc3n[nH]2)cnc1Cl											5.99
-Clc1cc(Nc2c3ncccc3n[nH]2)cnc1N1CCCC1											5.81
-Clc1cc(Nc2c3ncccc3n[nH]2)cnc1N1CCOCC1											5.62
-Clc1cc(Nc2c3ncccc3n[nH]2)cnc1Oc1ccccn1											5.47
-Clc1cc(Sc2ccnc(-c3ccccn3)n2)ccc1					6.21						
-Clc1cc2c(cc1)-n1cnc(C3CC3)c1Cn1ncnc-21	8.03										
-Clc1cc2c(cc1)c(NCCCNCCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2		4.52									
-Clc1cc2c(cc1)c(NCCCNCCCOc1cccc3c1c1c(cccc1)[nH]3)c1CCCCc1n2		6.13									
-Clc1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					5.52						
-Clc1ccc(-c2nc(-c3ncccc3)no2)c(Cl)c1					5.77						
-Clc1ccc(-c2nc(-c3ncccc3)no2)cc1					5.0						
-Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccc(-n4ccnc4)cc23)cc1	6.27										
-Clc1ccc(-n2nc3c(c2OCC2CC2)cnc2ccccc23)cc1	6.73										
-Clc1ccc(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cc1	6.885										
-Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCC2CC2)cc1	6.880000000000001										
-Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2OCc2ccccc2Cl)cc1	6.955										
-Clc1ccc(-n2nc3c4c(CCCC4)ncc3c2Oc2ccccc2Cl)cc1	5.523										
-Clc1ccc(-n2nc3c4c(CCCCC4)ncc3c2OCc2ccccc2Cl)cc1	6.42										
-Clc1ccc(-n2nc3c4c(CCOC4)ncc3c2OCc2ccccc2Cl)cc1	6.34										
-Clc1ccc(CNC2CCN(c3ncc(Br)cn3)C2)c(Cl)c1										6.274	
-Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1				5.19							
-Clc1ccc(COc2c(Cl)c3nnc(CC4CC4)n3cc2)cc1							7.22				
-Clc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1	6.775										
-Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.5275										
-Clc1ccc(Cc2ccnc(-c3ccccn3)n2)cc1					5.0						
-Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1		5.0									
-Clc1ccc(Nc2c(Cl)cc(-c3ncc4CCCCn43)cn2)cc1					5.921						
-Clc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.95
-Clc1ccc(Nc2c3ncccc3n[nH]2)cn1											5.26
-Clc1ccc(Nc2ccnc(-c3ccccn3)n2)cc1					5.0						
-Clc1ccc(Nc2ncc3CCCCc3n2)cc1					5.33						
-Clc1ccc(Oc2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)cc1											5.81
-Clc1ccc(Oc2ccnc(-c3ccccn3)n2)cc1					5.0						
-Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1					6.497999999999999						
-Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1Cl					7.05						
-Clc1ccc(Sc2ccnc(-c3ncccc3)c2)cc1Cl					5.62						
-Clc1ccc(Sc2nc(-c3ccncc3)ncc2)cc1					5.0						
-Clc1ccc(Sc2nc(-c3cnccc3)ncc2)cc1					5.0						
-Clc1ccc2[nH]c(-c3ccccn3)nc2c1											5.33
-Clc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.23
-Clc1ccc2c(NCCCNCCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1		4.89									
-Clc1ccc2c(NCCCNCCCCCOc3cccc4c3c3c(cccc3)[nH]4)c3CCCCc3nc2c1		4.74									
-Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21	7.9975										
-Clc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	7.122										
-Clc1cccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c1					6.01						
-Clc1cccc(-c2nc(-c3ncccc3)no2)c1					6.94						
-Clc1cccc(CNc2c3ncccc3n[nH]2)c1											4.76
-Clc1cccc(COc2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.77				
-Clc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1	6.0										
-Clc1cccc(Cl)c1-c1cc2nnc(C3CCCCCC3)n2cc1							5.57				
-Clc1cccc(Nc2c3ncccc3n[nH]2)c1											6.86
-Clc1cccc(Nc2c[nH]c3cccnc23)c1											5.2
-Clc1cccc(Nc2ccccn2)c1											5.0
-Clc1cccc(Nc2coc3c2nccc3)c1											5.0
-Clc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											5.96
-Clc1cccc(Nc2nc3c(cccc3)o2)c1											6.222
-Clc1cccc(Nc2ncc3CCCCc3n2)c1					6.3420000000000005						
-Clc1cccc(Nc2ncnc3cccnc23)c1											5.141
-Clc1cccc(Nc2noc3cccnc23)c1											6.602
-Clc1cccc(Oc2ccc(Nc3c4ncccc4n[nH]3)cc2Cl)n1											7.06
-Clc1ccccc1-c1nc(-c2ncccc2)no1					6.361000000000001						
-Clc1ccccc1COc1c2cnc3c(cccc3)c2nn1-c1cc2c(cc1)OCO2	7.055										
-Clc1cccn2c1nc1c2ncc2c1c1c(cccc1)[nH]2	5.3138										
-Clc1ccnc(Nc2c3ncccc3n[nH]2)c1											6.55
-Clc1cnc(N2CCN(Cc3nc4c(cccc4)[nH]3)CC2)nc1							4.9				
-Clc1cnc(N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)nc1							6.9				
-Clc1cncc(Nc2c3ncccc3n[nH]2)c1											6.45
-Clc1cncc(Nc2c3ncccc3n[nH]2)n1											5.0
-Clc1cncc(OC2C=C(C#Cc3ncccc3)CCC2)c1					9.05						
-Clc1ncc2[nH]c3c(cccc3)c2c1	7.151666666666666										
-Clc1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.7625										
-Cn1c(-c2ccccn2)c(C2CCCC2)c2c1cc(C(=O)NC1(C(=O)Nc3ccc(C=CC(=O)O)cc3)CCC1)cc2	5.0										
-Cn1c(=O)c2c(ccc(C#C[Si](C)(C)C)c2)n2cnc(C(=O)OC(C)(C)C)c12	6.975										
-Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OC(C)(C)C)c12	8.475										
-Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(C(=O)OCC3CC3)c12	7.9										
-Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CCl)c12	6.3										
-Cn1c(=O)c2c(ccc(Cl)c2)n2cnc(CO)c12	6.523										
-Cn1c(=O)n(-c2nc3c(cccc3)o2)c2c1cccc2	5.0										
-Cn1c(=O)n(C)c2c1cc1CCCC(NCCCc3ccccc3)Cc1c2		6.16									
-Cn1c(=O)n(CC(C)(C)C)c2c1cc(-c1ccccc1)cc2							7.51				
-Cn1c(=O)n(CC(C)(C)C)c2c1cc(OCc1cc(-c3cc(F)cc(C(=O)O)c3)ccc1)cc2							7.82				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(C(C)(C)O)ccc1C#N)cc2							7.31				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(CO)ccc1)cc2							6.95				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cc(S(C)(=O)=O)ccc1)cc2							6.72				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(C#N)cc1)cc2							6.72				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(CO)cc1)cc2							6.74				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccc(S(C)(=O)=O)cc1)cc2							6.42				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1cccc(C#N)c1)cc2							7.1				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1)cc2							7.16				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1C#N)cc2							7.58				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1F)cc2							7.09				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(-c1ccccc1S(C)(=O)=O)cc2							5.33				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)C1CC1)cc2							6.93				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)Cn1cncn1)cc2							7.095				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1cccnc1)cc2							6.76				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1csnn1)cc2							7.355				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1ncco1)cc2							7.695				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2				4.523	4.523		7.8			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)C4(O)CCC4)CC3C1)cc2							7.08				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)C4(O)CCN(C(=O)OC(C)(C)C)C4)CC3C1)cc2							6.29				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)CO)CC3C1)cc2							6.06				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CC3CN(C(=O)c4ncco4)CC3C1)cc2							7.505				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CCC(C(=O)NCc3ncco3)CC1)cc2							6.23				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1=CCC(NC(=O)C3CCCO3)CC1)cc2							6.48				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CC3CN(C(=O)c4ncco4)CC3C1)cc2							6.41				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)CCn3cncn3)C1)cc2							5.66				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C1)cc2							6.01				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCC(C)(C)C(NC(=O)c3nsnc3)C1)cc2							7.36				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(C1CCN(C(=O)c3nocc3)CC1)cc2							6.28				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3)cc2				4.523	4.523		5.89			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)OC(C)(C)C)cc2				4.523	4.523		6.9			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1ccccc1)cc2							7.44				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1cccnc1)cc2							6.94				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1csnn1)cc2				4.523	4.523		6.87			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3C(=O)c1nocc1)cc2				4.523	4.523		6.855			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CC3CCC1CN3c1ncccn1)cc2							7.43				
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCC3CCCCC31)cc2				4.523	4.523		5.66			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCCC1)cc2				4.523	4.523		6.37			4.523	4.523
-Cn1c(=O)n(CC(C)(C)C)c2c1nc(N1CCCc3ccccc31)cc2				4.523	4.523		6.48			4.523	4.523
-Cn1c(=O)n(CC2CC2(F)F)c2c1nc(C1=CC3CCC1CN3C(=O)c1nocc1)cc2							7.56				
-Cn1c(=O)n(CC2CC2(F)F)c2c1nc(C1=CC3CN(C(=O)c4ncco4)CC3C1)cc2							6.76				
-Cn1c(C(=O)N2CCc3c(C2)oc(COc2ccccc2)n3)cc2c1cccc2					6.29						
-Cn1c(C(=O)Nc2c(Cl)cc(NC(=O)c3ccccn3)cc2)cc2c1cccc2											5.33
-Cn1c(C=NN=C(N)N)cc2c1cccc2		4.31									
-Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccc2							6.35				
-Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccn2							7.37				
-Cn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2c1cccc2							6.5				
-Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2c1cccc2							6.3				
-Cn1c(CN2CCC(c3cccc(Cl)c3)CC2)nc2c1cccc2							6.2				
-Cn1c(CN2CCC(c3ccccc3)CC2)nc2c1cccc2							5.95				
-Cn1c(CN2CCC(c3ccccc3C(F)(F)F)CC2)nc2c1cccc2							5.85				
-Cn1c(CN2CCC(c3ccccc3F)CC2)nc2c1cccc2							6.522				
-Cn1c(CN2CCC(c3nc4c(cccc4)s3)CC2)nc2c1cccc2							6.15				
-Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2c1cccc2							7.0				
-Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2c1cccc2							6.15				
-Cn1c(CN2CCN(c3c(Cl)cc(C(F)(F)F)cn3)CC2)nc2c1cccc2							6.632999999999999				
-Cn1c(CN2CCN(c3c(F)cc(Cl)cc3)CC2)nc2c1cccc2							6.4670000000000005				
-Cn1c(CN2CCN(c3ccc(C#N)cc3)CC2)nc2c1cccc2							4.9				
-Cn1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2c1cccc2							5.95				
-Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2c1cccc2							5.75				
-Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2c1cccc2							6.1				
-Cn1c(CN2CCN(c3ccccc3)CC2)nc2c1cccc2							5.3				
-Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc2c1cccc2							6.5				
-Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1cccc2							5.65				
-Cn1c(CN2CCN(c3ccccn3)CC2)nc2c1cccc2							4.8				
-Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1cc(F)cc2							6.9				
-Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(C#N)c2							7.3				
-Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(C(F)(F)F)c2							5.7				
-Cn1c(CN2CCN(c3nc(Cl)ccc3C(F)(F)F)CC2)nc2c1ccc(F)c2							6.7				
-Cn1c(CN2CCN(c3nc4c(cccc4)s3)CC2)nc2c1cccc2							6.1				
-Cn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2c1cccc2							6.567				
-Cn1c(O)nc2c1cc(C#CCN1CCC(Cc3ccccc3)CC1)cc2		4.0									
-Cn1c(O)nc2c1ccc(C#CCN1CCC(Cc3ccccc3)CC1)c2		4.13									
-Cn1c(O)nc2c1cccc2C(=O)Nc1cc(Cl)ccc1					5.0						
-Cn1c(OCc2noc(-c3cc(Cl)ccc3)c2)nnc1-c1ccnc(O)c1					5.8020000000000005						
-Cn1c2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)c2c1cccc2					6.26						
-Cn1c2c(CCN(C(=O)c3nn4cc(Br)cnc4c3)CC2)sc1=O					5.89						
-Cn1c2c(cccc2)c2c1c1c(cn2)[nH]c2c1cccc2	6.8										
-Cn1c2c(cccc2)c2c1cnc1c2[nH]c2c1cccc2	5.93										
-Cn1c2c(cccc2)c2c1cnc1c2n(C)c2c1cccc2	5.71										
-Cn1cc(-c2cc(C#N)nc3c2ccc(Cc2ccnc(C(F)(F)F)c2)c3)cn1							6.84				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2C(=O)NC(C)(C)C2=O)c3F)cn1							6.67				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CC(C(F)(F)F)OC(C)(C)C2)c3)cn1							7.96				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CC(C(F)(F)F)OCC2(C)C)c3)cn1							8.1				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(C(F)(F)F)CC2)c3)cn1							6.94				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)(F)CC2)c3)cn1							7.34				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)CC2)c3)cn1							6.83				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC(F)CC2)c3F)cn1							6.77				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCC4(CC2)CC4)c3)cn1							6.61				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(C(F)(F)F)C2)c3)cn1							7.6				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(C(F)(F)F)C2)c3F)cn1							7.89				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(F)(F)C2)c3)cn1							7.52				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(F)C2)c3)cn1							6.61				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC(O)C2)c3)cn1							6.03				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCC4(CC4)C2)c3)cn1							6.62				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCCC24CC4)c3)cn1							6.83				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCCCC2CF)c3)cn1							6.95				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C(F)(F)F)C2)c3)cn1							7.76				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(C)(C)C2)c3)cn1							7.06				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOC(CC(F)(F)F)C2)c3)cn1							7.28				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCOCC2(C)C)c3)cn1							6.62				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCS(=O)(=O)C(C4CC4)C2)c3)cn1							7.01				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCSC(C(F)(F)F)C2)c3)cn1							7.75				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(CN2CCSC(C4CC4)C2)c3)cn1							7.89				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cc(C4CC4)nc(C(F)(F)F)c2)c3)cn1							7.92				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cc(Cl)nc(C(F)(F)F)c2)c3)cn1							8.15				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(C(F)(F)F)nc2)c3F)cn1							7.55				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(C4CC4)nc2)c3F)cn1							7.52				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccc(F)c(C(F)(F)F)c2)c3)cn1							7.46				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cccc(C(F)(F)F)n2)c3)cn1							7.55				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cccnc2C(F)(F)F)c3)cn1							7.38				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccnc(C#N)c2)c3)cn1							7.82				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2ccnc(C(F)(F)F)c2)c3)cn1							8.22				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(C4CC4)nc2)c3)cn1							7.68				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(C4CC4)nc2)c3F)cn1							7.44				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(Cl)nc2)c3)cn1							7.47				
-Cn1cc(-c2cc(C(N)=O)nc3c2ccc(Cc2cnc(F)nc2)c3)cn1							7.12				
-Cn1cc(-c2cc(C(N)=O)nc3c2cccc3)cn1							6.17				
-Cn1cc(-c2ccccc2OCC(=O)c2ccc(Cl)nc2)cn1											5.0
-Cn1cc(C#Cc2ccc(N3CC(C)(C)OC3=O)nc2)cn1					7.58						
-Cn1cc(C(=O)N2CCc3c(C2)oc(COc2ccccc2)n3)c2c1cccc2					6.535						
-Cn1cc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)cn1					6.57	5.66					
-Cn1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)cn1					7.18	5.0					
-Cn1cc(CCC(N)(C(=O)O)C2CC2C(=O)O)c2c1cccc2							5.85			5.92	
-Cn1cc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1		5.76									
-Cn1cc(O)nc1NC(=O)Nc1cc(Br)ccc1					6.42						
-Cn1cc(O)nc1NC(=O)Nc1cc(Cl)ccc1					8.17	8.174					
-Cn1ccc(=O)nc1NC(=O)Nc1cc(Cl)ccc1					6.071000000000001						
-Cn1ccc(C(=O)NC23CCCC(C#Cc4ccccn4)(CC2)C3)n1					7.77						
-Cn1ccc(C(=O)NC23CCCC(C#Cc4cnccn4)(CC2)C3)n1					6.85						
-Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C#N)C3=C2)n1					5.28	5.0					
-Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)n1					6.36	5.0					
-Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4CO)C3=C2)n1					6.16	5.0					
-Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)n1					7.39	6.675					
-Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)n1					7.46	5.0					
-Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)n1			4.523	4.523	4.523	4.523	7.11		4.523	4.523	4.523
-Cn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1		5.61									
-Cn1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											5.521
-Cn1ccc2c1c(Cl)cc(-c1c(C#N)c3ncc(CC(F)(F)F)n3cc1)c2							6.921				
-Cn1ccc2c1cc(Nc1c3ncccc3n[nH]1)cc2											5.45
-Cn1ccc2c1ccc(-c1c(C#N)c3ncc(CC(F)(F)F)n3cc1)c2							6.64				
-Cn1ccc2c1ccc(Nc1c3ncccc3n[nH]1)c2											5.45
-Cn1ccc2c1cnc(-c1cc(=NO)c3c(cccc3)o1)c2											6.07
-Cn1cccc1C(=O)Nc1cc(Cl)c(Cl)cc1											5.0
-Cn1cccc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1						5.28					
-Cn1ccn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2c1=O	9.583333333333334										
-Cn1ccn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O	9.093333333333334										
-Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O	9.476666666666667										
-Cn1ccnc1-c1c(CC(N)C(=O)O)c(O)no1		4.0									
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1						5.0					5.0
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1						5.0					5.96
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(Cl)cc3)C2=O)c(Cl)c1						6.58					5.8
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cc(F)cc3)C2=O)c(Cl)c1						6.17					5.97
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1						6.44					
-Cn1ccnc1C(=O)Nc1ccc(N2C(=O)c3c(nccc3)C2=O)c(Cl)c1						5.0					5.0
-Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.397499999999999										
-Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1cccc2	9.4675										
-Cn1ccnc1NC(=O)Nc1cccc(Cl)c1					5.0						
-Cn1cnc(-c2c(CC(N)C(=O)O)c(O)no2)n1		4.0									
-Cn1cnc(C(=O)NCCCCc2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1							5.93				
-Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)c1					5.31	5.0					
-Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)c1					5.42	5.16					
-Cn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	8.02125										
-Cn1cnc(S(=O)(=O)N2CCCC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c1							6.02				
-Cn1cnc2c1CCN(C(=O)c1nn3cc(Br)cnc3c1)CC2					6.16						
-Cn1cnc2c1c1c(nc2)sc2c1ncn(-c1ccc(Cl)cc1)c2=O						8.01					
-Cn1cnc2c1cc(-c1cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n1)cc2					5.82						
-Cn1cnc2c1cc(Nc1c3ncccc3n[nH]1)cc2											5.0
-Cn1cnc2c1ccc(C#Cc1ccccc1)c2					7.43						
-Cn1cnc2c1ncc(C#Cc1ccccc1)c2					7.76						
-Cn1cnc2c1ncc(OC(=O)c1ccccc1)c2					6.67						
-Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O	8.42										
-Cn1nc(-c2ccccc2)c2c1nc(-c1ccccc1)c(C#N)c2-c1ccccc1					5.63						
-Cn1nc(-c2ccccc2)c2c1nc(OCc1ccccn1)cc2					7.96						
-Cn1nc(-c2ccccn2)c2c1nc(OCc1ccccn1)cc2					8.3						
-Cn1nc(-c2cnccc2)c2c1nc(OCc1ccccn1)cc2					8.21						
-Cn1nc(-c2cnccc2)c2c1nc(OCc1ccccn1)cn2					8.64						
-Cn1nc(-c2cnccc2C(F)(F)F)c2c1nc(OCc1ccccn1)cn2					8.552						
-Cn1nc(-c2ncccc2OC(F)F)c2c1nc(OCc1ccccn1)cn2					8.19						
-Cn1nc(C(=O)N2CCC(F)(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.54
-Cn1nc(C(=O)N2CCC(F)(F)CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.3
-Cn1nc(C(=O)N2CCC(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.08
-Cn1nc(C(=O)N2CCCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.08
-Cn1nc(C(=O)N2CCOCC2)c2c1nc(OCc1ccccn1)cc2					6.941	4.301					
-Cn1nc(C(=O)NC2CC(F)(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.94
-Cn1nc(C(=O)NC2CC(F)C2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.1
-Cn1nc(C(=O)NC2CCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.18
-Cn1nc(C(F)(F)F)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.92
-Cn1nc(C2(C)CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2											6.89
-Cn1nc(C2(C)CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.17
-Cn1nc(C2(C)CC2)c2c1cc(Nc1c3nccnc3n[nH]1)cc2											7.6
-Cn1nc(C2CC2)c2c1cc(Nc1c3cccnc3n[nH]1)cc2											7.37
-Cn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.37
-Cn1nc(C2CC2)c2c1cc(Nc1c3ncccc3n[nH]1)cn2											6.33
-Cn1nc(C2CC2)c2c1cc(Nc1c3nccnc3n[nH]1)cc2											7.7
-Cn1nc(CC(F)(F)F)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.02
-Cn1nc(OC2CCOCC2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.34
-Cn1nc(OCC2CCCCO2)c2c1cc(Nc1c3ncccc3n[nH]1)cc2											7.07
-Cn1nc(OCc2c(-c3ccc(F)cc3)nnn2C)cc1C(=O)NC1CCOCC1	7.34										
-Cn1nc2cccnc2c1Nc1ccc(F)c(Cl)c1											4.92
-Cn1ncc2c1cc(Nc1c3ncccc3n[nH]1)cc2											6.59
-Cn1ncc2c1ccc(Nc1c3ncccc3n[nH]1)c2											6.06
-Cn1nccc1-c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1	8.01										
-Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O	8.386666666666667										
-Cn1ncnc1-c1c(CC(N)C(=O)O)c(O)no1		4.0									
-Cn1ncnc1COc1cc(-c2cc(-c3ccccc3)nnc2)ccc1	8.036666666666667										
-Cn1ncnc1COc1nn2c(-[n+]3ccncc3)nncc2c1-c1ccccc1F	8.57										
-Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F	8.59										
-Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3)nnc2cc1C(C)(C)C	9.011										
-Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F	8.57										
-Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1	9.66										
-Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F	9.28										
-Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F	8.89										
-Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F	9.03										
-Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F	8.7										
-Cn1ncnc1COc1nn2c(-c3cccc(F)c3)nncc2c1-c1ccccc1F	8.92										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	8.55										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1	8.873333333333333										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(C)(C)C	9.645										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCC1	9.67										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1	9.343333333333334										
-Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C1CCCCC1	8.126666666666667										
-Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F	7.68										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(Cl)cccc1	8.06										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1	9.35										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F	9.26										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)cc(F)c1	7.481										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F	9.7										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1	8.2										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1	8.8										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1	9.27										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(CO)c1	8.18										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1	8.96										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1	9.55										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F	8.82										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1	7.85										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1	9.26										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1C(F)(F)F	7.481										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccn1	8.85										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccnc1	9.01										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccco1	9.96										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccs1	10.0										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccncc1	9.85										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cncnc1	7.481										
-Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cscc1	10.0										
-Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F	8.96										
-Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F	9.07										
-Cn1ncnc1COc1nn2c(-c3cccs3)nncc2c1-c1ccccc1	8.8										
-Cn1ncnc1COc1nn2c(-c3cocc3)nncc2c1-c1ccccc1F	9.21										
-Cn1ncnc1COc1nn2c(C3CC3)nncc2c1-c1ccccc1F	9.44										
-Cn1ncnc1SC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1							7.7			7.53	
-Cn1nnc(-c2c(CC(N)C(=O)O)c(O)no2)n1		4.0									
-Cn1nnc(-c2ccc(F)cc2)c1COc1noc(C(=O)NC2CCOCC2)c1	7.54										
-Cn1nnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	7.52										
-Cn1nnc2c1cc(Nc1c3ncccc3n[nH]1)cc2											5.84
-Cn1nnnc1-c1c(CC(N)C(=O)O)c(O)no1		4.0									
-Cn1nnnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	7.595										
-FC(CCc1ccccc1)CNC1CCc2c(cccc2)CC1		7.57									
-FC(CNC1CCc2c(cccc2)CC1)Cc1ccccc1		7.77									
-FC(F)(F)C1(c2ccccc2)CCN(c2c(Cl)c3nnc(CC4CC4)n3cc2)CC1							6.75				
-FC(F)(F)COc1cccc(C2(N3CCCCC3)CCCCC2)c1		4.8999999999999995									
-FC(F)(F)Cc1cnc2c(Cl)c(-c3cc4c([nH]cc4)c(Cl)c3)ccn12							7.071000000000001				
-FC(F)(F)Cc1cnc2c(Cl)c(-c3cc4c(c(Cl)c3)n(CC3CC3)cc4)ccn12							6.601				
-FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccn12							6.94				
-FC(F)(F)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12							7.26				
-FC(F)(F)Oc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.42						
-FC(F)(F)Oc1c(Cl)cc(C2=NC(c3ccccc3C(F)(F)F)CN2)cc1		6.267									
-FC(F)(F)Oc1c(Cl)cc(C2=NC(c3ccccc3OC(F)(F)F)CN2)cc1		5.88									
-FC(F)(F)Oc1cc(-c2nc(-c3ncccc3)no2)ccc1					6.158						
-FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)cc(Cl)c3)CN2)cc1Cl		6.244									
-FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)ccc3)CN2)cc1		6.115									
-FC(F)(F)Oc1ccc(C2=NC(c3cc(Cl)ccc3)CN2)cc1Cl		6.98									
-FC(F)(F)Oc1ccc(C2=NC(c3ccccc3)CCCN2)cc1		5.38									
-FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	6.301										
-FC(F)(F)c1c(-c2cc(Cl)c(CNC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12							6.893				
-FC(F)(F)c1c(-c2cc(Cl)c(NC3CC3)cc2)ccn2c(CC3CC3)nnc12							8.56				
-FC(F)(F)c1c(-c2cc(Cl)c(NC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12							8.045				
-FC(F)(F)c1c(-c2cc(Cl)c(OC3CCOCC3)cc2)ccn2c(CC3CC3)nnc12							7.665				
-FC(F)(F)c1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.64						
-FC(F)(F)c1c(CN2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							6.88				
-FC(F)(F)c1c(CN2CCC(c3c(Cl)cccc3)CC2)ccn2c(CC3CC3)nnc12							7.87				
-FC(F)(F)c1c(CN2CCC(c3ccccc3)(C(F)(F)F)CC2)ccn2c(CC3CC3)nnc12							7.24				
-FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							7.915				
-FC(F)(F)c1c(CN2CCCC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12							7.19				
-FC(F)(F)c1c(CN2CCN(c3c(Cl)cc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12							7.77				
-FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							7.41				
-FC(F)(F)c1c(N2CCC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12							5.91				
-FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							7.507000000000001				
-FC(F)(F)c1c(N2CCC(c3cnccc3)CC2)ccn2c(CC3CC3)nnc12							6.287000000000001				
-FC(F)(F)c1c(N2CCc3c(cccc3)C2)ccn2c(CC3CC3)nnc12							6.83				
-FC(F)(F)c1c(N2Cc3c(cccc3)C2)ccn2c(CC3CC3)nnc12							6.4				
-FC(F)(F)c1c(OC2CC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12							9.3				
-FC(F)(F)c1c(OC2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							9.4				
-FC(F)(F)c1c(OCC(F)(F)c2ccccc2)ccn2c(CC3CC3)nnc12							8.21				
-FC(F)(F)c1c(OCC2(c3ccc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12							7.89				
-FC(F)(F)c1c(OCC2(c3ccccc3)CCCCC2)ccn2c(CC3CC3)nnc12							8.74				
-FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12							8.283999999999999			6.05	
-FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12							7.55				
-FC(F)(F)c1cc(C(F)(F)F)cc(-c2nc(-c3ncccc3)no2)c1					5.0						
-FC(F)(F)c1cc(Cl)c(-n2cc(-c3ccccc3)nn2)c(Cl)c1	5.039										
-FC(F)(F)c1cc(Cl)c(-n2cc(C3CCCCC3)nn2)c(Cl)c1	5.82										
-FC(F)(F)c1cc(Cl)c(-n2cc(CCCCl)nn2)c(Cl)c1	6.21										
-FC(F)(F)c1cc(Cl)c(-n2nncc2-c2ccccc2)c(Cl)c1	5.039										
-FC(F)(F)c1cc(Nc2c3ncccc3n[nH]2)cc(C(F)(F)F)c1											5.52
-FC(F)(F)c1cc(Sc2ccnc(-c3ccccn3)n2)ccc1					6.26						
-FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3c(cccc3)[nH]2)CC1							4.9				
-FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3c(cccc3)n2Cc2ccccc2)CC1							6.9				
-FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-FC(F)(F)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											5.67
-FC(F)(F)c1ccc(Sc2ccnc(-c3ccccn3)n2)cc1					6.68						
-FC(F)(F)c1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.26
-FC(F)(F)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1	9.285										
-FC(F)(F)c1cccc(Nc2c3ncccc3n[nH]2)c1											6.84
-FC(F)(F)c1cn2ccnc(C#Cc3ccccc3)c2c1					6.8						
-FC(F)(F)c1nc2ncc(-c3nc(Br)ccc3)n2cc1	9.34										
-FC(F)(F)c1nc2ncc(-c3nc(Cl)ncc3)n2cc1	8.864999999999998										
-FC(F)(F)c1nc2ncc(-c3nccc(Cl)c3)n2cc1	7.481										
-FC(F)(F)c1nc2ncc(-c3ncccc3)n2cc1	8.0										
-FC(F)(F)c1nc2ncc(-c3ncnc(Cl)c3)n2cc1	7.481										
-FC(F)Oc1cc(-c2cn(Cc3c[nH]nc3)nc2)ccc1Cl		6.46									
-FC(F)Oc1cc(-c2cn(Cc3n[nH]cc3)nc2)ccc1Cl		6.64									
-FC(F)Oc1cccc(Nc2c3ncccc3n[nH]2)c1											6.59
-FC(F)Oc1cccc(Nc2noc3cccnc23)c1											6.444
-FC(F)c1c2Cn3ncnc3-c3c(ccc(Br)c3)-n2cn1	7.2325										
-FC(F)c1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	7.485										
-FC(F)c1cc(-c2cn(Cc3n[nH]cc3)nc2)ccc1Cl		6.05									
-FC(F)c1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21	8.96										
-FCCC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1		7.35									
-Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)cccc1	9.175										
-Fc1c(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)ccnc1	8.47										
-Fc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c(F)ccc1					6.82						
-Fc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1					6.85						
-Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cccc3F)c2)cc1	9.64										
-Fc1c(-c2ncccc2F)cc(-c2cnnc(-c3c(F)cncc3F)c2)cc1	8.703333333333333										
-Fc1c(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cccc1	8.2075										
-Fc1c(-n2cc(-c3ccnc4c3cccc4)cn2)cccc1											5.96
-Fc1c(-n2nc3c(c2OCc2ccccc2Cl)cnc2ccccc23)cccc1	8.85										
-Fc1c(C2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cccc1							7.82				
-Fc1c(Cl)cc(Nc2c3ncccc3n[nH]2)cc1Cl											6.39
-Fc1c(Cl)cccc1Nc1c2ncccc2n[nH]1											6.21
-Fc1c(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cccc1		5.0									
-Fc1c(NC2CC2)ccc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)c1							8.307				
-Fc1c(NC2CC2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.697				
-Fc1c(Oc2ccnc(C3CC3)c2)ccc(-c2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)c1							8.08				
-Fc1c(Oc2ccnc(C3CC3)c2)ccc(-c2c(Cl)c3nnc(CC4CC4)n3cc2)c1							7.233				
-Fc1cc(-c2cc(-n3cccn3)ncn2)ccc1					5.1						
-Fc1cc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)c(F)cc1					6.47						
-Fc1cc(-c2nc(-c3ncccc3)no2)cc(F)c1					6.811						
-Fc1cc(-c2nc(-c3ncccc3)no2)ccc1					6.072						
-Fc1cc(-c2nccc(-c3cnc4nc(C(F)(F)F)ccn34)c2)ccc1	7.481										
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(Cl)cccc2)c1					6.97						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(F)cccc2)c1					6.54						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(F)cccc2F)c1					6.97						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2c(OC(F)(F)F)cccc2)c1					6.5						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cc(Cl)ccc2)c1					6.08						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccc(Cl)cc2)c1					5.69						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2)c1					6.61						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2-c2ccccc2)c1					6.0						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccccc2Oc2ccccc2)c1					6.38						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccco2)c1					6.24						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2ccncc2)c1					6.09						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cnccc2)c1					7.27						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2cncnc2)c1					6.7						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-c2conc2-c2ccccc2)c1					7.12						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(-n2ccc3c2cncc3)c1					7.8						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Nc2cnccc2)c1					6.91						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Oc2cnccc2)c1					8.17						
-Fc1cc(-n2nnc(-c3ncccc3)n2)cc(Sc2cnccc2)c1					7.89						
-Fc1cc(C#Cc2csc(Br)n2)ccc1					6.28						
-Fc1cc(C#Cc2nc3c(CN(C4CCC4)CC3)s2)ccc1					6.7						
-Fc1cc(C#Cc2nc3c(CN(C4CCCC4)CC3)s2)ccc1					6.192						
-Fc1cc(C#Cc2nc3c(CN(C4CCOC4)CC3)s2)ccc1					6.4						
-Fc1cc(C=NN=Cc2cc(F)ccc2)ccc1					7.105						
-Fc1cc(Cc2cnccc2)cc(-n2nnc(-c3ncccc3)n2)c1					7.77						
-Fc1cc(Cl)c(C2CCN(C(=S)COCc3ccncc3)CC2)cc1					4.975						
-Fc1cc(Cl)cc(Nc2c3ncccc3n[nH]2)c1											7.5
-Fc1cc(F)c(-c2cc(-c3cc(-c4ncccc4F)c(F)cc3)cnn2)nc1	8.85										
-Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)cc1	8.68										
-Fc1cc(F)c(-c2nncc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)c2)nc1	8.1925										
-Fc1cc(F)c(C2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.82				
-Fc1cc(F)c(C2CCN(c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							8.0				
-Fc1cc(F)c(C2CCN(c3c(Cl)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.21				
-Fc1cc(F)c(COC2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.24				
-Fc1cc(F)c(F)c(Nc2c3ncccc3n[nH]2)c1											6.11
-Fc1cc(F)c(N2CCCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.66				
-Fc1cc(F)c(N2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							6.277				
-Fc1cc(F)c(Nc2c3ncccc3n[nH]2)cc1Cl											6.47
-Fc1cc(F)c(OC2CCN(Cc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.24				
-Fc1cc(F)cc(Nc2c3ncccc3n[nH]2)c1											7.0
-Fc1cc(Nc2c3ncccc3n[nH]2)cc(C(F)(F)F)c1											6.66
-Fc1cc(Nc2c3ncccc3n[nH]2)cc(F)c1F											6.84
-Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1cc(C(F)(F)F)ccn1											6.3
-Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ccc(Cl)cn1											6.82
-Fc1cc(Nc2c3ncccc3n[nH]2)ccc1Oc1ncccn1											5.56
-Fc1ccc(-c2cc(-c3cc(-c4ncc(F)cc4F)c(F)cc3)cnn2)cc1	8.335										
-Fc1ccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cc1					6.47						
-Fc1ccc(-c2cn(Cc3n[nH]cc3)nc2)cc1OC(F)F		6.43									
-Fc1ccc(-c2cnnc(-c3c(F)cccn3)c2)cc1-c1ncccc1F	8.923333333333334										
-Fc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1					6.4						
-Fc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1					7.1						
-Fc1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1	6.7675										
-Fc1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1	8.5575										
-Fc1ccc(-c2noc(C3CCc4c(C3)nnn4-c3ccc(F)cc3)n2)cc1					7.8						
-Fc1ccc(-c2noc(C3CCc4c(C3)nnn4-c3ccc(F)nc3)n2)cc1					4.6						
-Fc1ccc(-c2noc(C3CCc4c(C3)nnn4C3CCCC3)n2)cc1					6.95						
-Fc1ccc(-c2noc(C3CCc4c(C3)nnn4C3CCOC3)n2)cc1					6.4						
-Fc1ccc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1											5.54
-Fc1ccc(C2(COc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)cc1							7.8				
-Fc1ccc(C2CC(Oc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)C2)cc1							9.4				
-Fc1ccc(C2CC2COc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)cc1							8.77				
-Fc1ccc(C2CCC(NCc3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)CC2)c(F)c1							7.25				
-Fc1ccc(CNc2c3ncccc3n[nH]2)cc1Cl											5.15
-Fc1ccc(COc2c3cnc4c(CCCC4)c3nn2-c2ccc(Cl)cc2)cc1	7.27										
-Fc1ccc(Cl)cc1Nc1c2ncccc2n[nH]1											6.94
-Fc1ccc(N2CCN(Cc3c[nH]c4c3cccn4)CC2)cc1		5.0									
-Fc1ccc(Nc2c3ncccc3n[nH]2)cc1											5.85
-Fc1ccc(Nc2c3ncccc3n[nH]2)cc1C(F)(F)F											6.42
-Fc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											7.17
-Fc1ccc(Nc2c3ncccc3n[nH]2)cc1F											6.19
-Fc1ccc(Nc2c3nccnc3n[nH]2)cc1Cl											6.81
-Fc1ccc(Nc2c3ncncc3n[nH]2)cc1Cl											5.51
-Fc1ccc(Nc2c3ncsc3n[nH]2)cc1Cl											5.93
-Fc1ccc(Nc2nc3c(CCCC3)s2)cc1					5.59	4.19					
-Fc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1F					5.82						
-Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1		5.699999999999999									
-Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1		5.699999999999999									
-Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1		5.5									
-Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1		4.949999999999999									
-Fc1ccc2[nH]c(-c3ccccn3)nc2c1											5.0
-Fc1ccc2[nH]nc(Nc3ccc(F)c(Cl)c3)c2n1											6.51
-Fc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											6.14
-Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn-21	8.22				6.28						
-Fc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21	9.52										
-Fc1ccc2c(c1)-c1ncnn1Cc1cncn-21	8.0										
-Fc1ccc2c(c1)[nH]c1c2ncc2c1c1c(cccc1)[nH]2	7.118										
-Fc1cccc(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)c1					6.66						
-Fc1cccc(-n2cc(-c3ccnc4c3cccc4)cn2)c1											5.51
-Fc1cccc(C#Cc2csc(-c3cc(F)cc(F)c3)n2)c1					5.0						
-Fc1cccc(F)c1C1CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1							8.01				
-Fc1cccc(F)c1N1CCN(Cc2c(C(F)(F)F)c3nnc(CC4CC4)n3cc2)CC1							7.58				
-Fc1cccc(Nc2c3ncccc3n[nH]2)c1											6.23
-Fc1cccc(Nc2noc3cccnc23)c1											5.924
-Fc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	7.965										
-Fc1ccccc1COc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1	7.0										
-Fc1cn2cc(CCC#Cc3ncccc3)nc2cc1					7.7						
-Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cc(F)cc4F)nnc3)c2)c(F)c1	8.379999999999999										
-Fc1cnc(-c2c(F)ccc(-c3cc(-c4c(F)cncc4F)nnc3)c2)c(F)c1	8.386666666666667										
-Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccc4)c3)c2)c(F)c1	8.96										
-Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cccn4)c3)c2)c(F)c1	8.886666666666667										
-Fc1cnc(-c2c(F)ccc(-c3cnnc(-c4c(F)cncc4)c3)c2)c(F)c1	8.266666666666667										
-Fc1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cc1											6.122999999999999
-Fc1cncc(Nc2c3ncccc3n[nH]2)c1											5.04
-Fc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											6.979
-Fc1ncc(Cl)cc1Nc1c2ncccc2n[nH]1											6.22
-N#CC1CC1c1c(C(F)(F)F)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		6.00675									
-N#CC1CC1c1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		5.92675									
-N#CC1CC1c1c(F)ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		7.68									
-N#CC1CC1c1cc(C(F)(F)F)cc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		6.92									
-N#CC1CC1c1cccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12		7.62									
-N#CC1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.7
-N#CC1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1							6.32				
-N#CN=C(NCc1ccccc1)NN1CCC(CNc2ncccn2)CC1		5.51									
-N#CSc1cc2c(cc1)[nH]c1c2cc(SC#N)nc1	6.27025										
-N#Cc1c(-c2cc(-c3ccccc3)nnc2)cccc1	6.425000000000001										
-N#Cc1c(-c2cc(Cl)c(N3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12							5.67				
-N#Cc1c(-c2cc(Cl)c(NC3CC3)cc2)ccn2c(CC(F)(F)F)cnc12							6.85				
-N#Cc1c(-c2cc(Cl)c(NC3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12							6.15				
-N#Cc1c(-c2cc(Cl)c(OC3CCOCC3)cc2)ccn2c(CC(F)(F)F)cnc12							6.21				
-N#Cc1c(-c2cc3c([nH]cc3)c(Cl)c2)ccn2c(CC(F)(F)F)cnc12							6.497999999999999				
-N#Cc1c(-c2cc3c(c(Cl)c2)n(CC2CC2)cc3)ccn2c(CC(F)(F)F)cnc12							6.96				
-N#Cc1c(-c2cc3c(cc2)n(C2CCOCC2)cc3)ccn2c(CC(F)(F)F)cnc12							6.3				
-N#Cc1c(-c2cc3c(cc2)n(CC2CC2)cc3)ccn2c(CC(F)(F)F)cnc12							6.72				
-N#Cc1c(-c2ccc(N3CCCCC3)cc2)ccn2c(CC(F)(F)F)cnc12							6.63				
-N#Cc1c(-c2ccc(OCc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12							6.8				
-N#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccn2c(CC(F)(F)F)cnc12							6.73				
-N#Cc1c(-c2ccc3NCCOc3c2)ccn2c(CC(F)(F)F)cnc12							5.78				
-N#Cc1c(-c2ccc3c(c2)ccn3C2CCC(O)CC2)ccn2c(CC(F)(F)F)cnc12							6.481				
-N#Cc1c(-c2ccccc2)c2c(-c3cc(Cl)ccc3)[nH]nc2nc1-c1ccccc1					7.16						
-N#Cc1c(-c2ccccc2)c2c(-c3ccc(Cl)cc3)[nH]nc2nc1-c1ccccc1					6.72						
-N#Cc1c(-c2ccccc2)c2c(nc1-c1cc(Cl)ccc1)[nH]nc2-c1ccccc1					6.82						
-N#Cc1c(-c2ccccc2)c2c(nc1-c1ccc(Cl)cc1)[nH]nc2-c1ccccc1					5.85						
-N#Cc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]cc2-c1ccccc1					7.31						
-N#Cc1c(-c2ccccc2)c2c(nc1-c1ccccc1)[nH]nc2C1CC1					6.66						
-N#Cc1c(-c2ccccc2)c2c(nc1C1CC1)[nH]nc2-c1ccccc1					5.523						
-N#Cc1c(-c2ccccc2)cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1					5.89						
-N#Cc1c(-c2ccccc2)nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1					6.92						
-N#Cc1c(Br)ccc(NC(=O)c2ncccc2)c1											7.33
-N#Cc1c(C(=O)NC2CCCC(NC(=O)c3cc(Cl)ccc3)C2)nccc1					6.081						
-N#Cc1c(C(F)(F)F)cc(NC(=O)c2ccccn2)cc1											5.752000000000001
-N#Cc1c(C2CC(F)(F)C2)c2c(nc1-c1cc(F)ccc1)[nH]nc2-c1cc(Cl)ccc1					7.105						
-N#Cc1c(C2CC(F)(F)C2)c2c(nc1-c1ccccc1)[nH]nc2-c1cc(Cl)ccc1					7.51						
-N#Cc1c(C2CC2)c2c(-c3cc(C(F)(F)F)c(Cl)cc3)[nH]nc2nc1-c1ccccc1					7.33						
-N#Cc1c(C2CC2)c2c(-c3cc(Cl)c(F)cc3)[nH]nc2nc1-c1ccccc1					7.68						
-N#Cc1c(C2CC2)c2c(-c3cc(Cl)ccc3)[nH]nc2nc1-c1ccccc1					7.35						
-N#Cc1c(C2CC2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1					7.35						
-N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cccc1	7.4174999999999995										
-N#Cc1c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nccc1	8.54										
-N#Cc1c(Cl)ccc(NC(=O)c2ncccc2)c1											8.28
-N#Cc1c(F)ccc(NC(=O)c2ncccc2)c1											8.13
-N#Cc1c(F)cccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	8.336666666666666										
-N#Cc1c(I)ccc(NC(=O)c2ncccc2)c1											6.765
-N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cccc1						6.731					
-N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cccn1						6.26					
-N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)cncc1						6.08					
-N#Cc1c(N2CC3CN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3C2)nccc1						5.251					
-N#Cc1c(N2CCC(c3c(Cl)cccc3)CC2)ccn(CC2CC2)c1=O							7.31				
-N#Cc1c(N2CCC(c3c(F)cc(F)cc3)CC2)ccn(CC2CC2)c1=O							7.17				
-N#Cc1c(N2CCC(c3c(F)cccc3)CC2)ccn(CC2CC2)c1=O							7.09				
-N#Cc1c(N2CCC(c3c(F)cccc3F)CC2)ccn(CC2CC2)c1=O							7.51				
-N#Cc1c(N2CCC(c3cc(C(F)(F)F)ccc3)CC2)ccn(CC2CC2)c1=O							7.34				
-N#Cc1c(N2CCC(c3cc(F)cc(F)c3)CC2)ccn(CC2CC2)c1=O							6.82				
-N#Cc1c(N2CCC(c3cc(F)ccc3)CC2)ccn(CC2CC2)c1=O							6.85				
-N#Cc1c(N2CCC(c3ccc(Cl)cc3)CC2)ccn(CC2CC2)c1=O							7.32				
-N#Cc1c(N2CCC(c3ccc(F)cc3)CC2)ccn(CC2CC2)c1=O							7.05				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CC2)c1=O							7.197				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CCC2)c1=O							7.26				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O							6.75				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCCC(F)(F)F)c1=O							6.45				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12							6.902				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)nnc12							7.251				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12							7.13				
-N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CN3CCCC3)nnc12							5.95				
-N#Cc1c(N2CCN(c3ccccc3)CC2)ccn2c(-c3ccccc3)cnc12							5.5				
-N#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CC(F)(F)F)cnc12							6.07				
-N#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CCC3CC3)cnc12							5.96				
-N#Cc1c(N2CCc3c(C2)oc(-c2ccccn2)n3)nccc1					6.192						
-N#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1ccccc1)C2						5.74					
-N#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1n[nH]cc1)C2						5.69					
-N#Cc1c(NCc2cccc(F)c2)sc2c1CCN(C(=O)c1ccc(F)cc1)C2						5.62					
-N#Cc1c(NCc2cccc(F)c2)sc2c1CCN(C(=O)c1ccccc1)C2						5.28					
-N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1c(F)ccnc1)C2						5.91					
-N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccc(F)cc1)C2						6.22					
-N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1cccc(F)c1)C2						5.54					
-N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccccc1)C2						5.55					
-N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1n[nH]cc1)C2						5.96					
-N#Cc1c2C=Cc3c(cc(-c4ccccc4)cn3)C(O)c2ccc1		8.05									
-N#Cc1c2C=Cc3c(cc(N4CCCCC4)cn3)C(O)c2ccc1		7.57									
-N#Cc1c2CCN3C(=O)CN=C(c4cccs4)C=C3c2ccc1					6.21	5.8					
-N#Cc1c2Cn3ncnc3-c3c(ccc(Cl)c3)-n2cn1	8.19										
-N#Cc1cc(-c2cc(-c3ccc(F)cc3)nnc2)ccc1	7.715										
-N#Cc1cc(-c2cc(-c3ccccc3)nnc2)ccc1	8.16										
-N#Cc1cc(-c2cc(-c3ncc(F)cc3)ncn2)cc(C#N)c1					8.7						
-N#Cc1cc(-c2cc(NCc3ccccc3)nnc2)ccc1	8.015										
-N#Cc1cc(-c2cc(OCc3ccccc3)nnc2)ccc1	7.494999999999999										
-N#Cc1cc(-c2nc(-c3ccc(F)cn3)no2)cc(F)c1					8.195						
-N#Cc1cc(-c2nc(-c3ncccc3)no2)cc(F)c1					7.601						
-N#Cc1cc(-n2cc(-c3ccccn3)cn2)ccc1					6.852						
-N#Cc1cc(-n2nnc(-c3ccccn3)n2)ccc1					7.158						
-N#Cc1cc(-n2nnc(-c3ncccc3)n2)cc(F)c1					8.41						
-N#Cc1cc(C#Cc2csc(CF)n2)cc(F)c1			5.0	5.0		5.0	5.0				5.0
-N#Cc1cc(C#Cc2csc(F)n2)cc(F)c1			5.0	5.0		5.0	5.0				5.0
-N#Cc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1					6.752000000000001						
-N#Cc1cc(C(=O)N2CCc3c(C2)nc(-c2ccc(F)cn2)o3)cc(F)c1					6.39						
-N#Cc1cc(C(=O)N2CCc3c(C2)sc(C#Cc2ccccc2)n3)ccc1					7.15						
-N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)cc(F)c1					6.77						
-N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)ccc1					6.48						
-N#Cc1cc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)ccc1F					5.98						
-N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc(F)c1					7.08						
-N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)ccc1					6.34						
-N#Cc1cc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)ccc1F					5.78						
-N#Cc1cc(C(=O)Nc2cc(Oc3cccnc3)ccn2)ccc1					5.74						
-N#Cc1cc(C(=O)Nc2cc(Oc3cncnc3)ccn2)ccc1					5.24						
-N#Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)n2)ccc1					6.58						
-N#Cc1cc(C(=O)Nc2cccc(Oc3cncnc3)n2)ccc1					6.57						
-N#Cc1cc(C(=O)Nc2ccnc(Oc3cccnc3)c2)ccc1					4.523						
-N#Cc1cc(C(=O)Nc2ccnc(Oc3cncnc3)c2)ccc1					4.523						
-N#Cc1cc(C(=O)Nc2cncc(Oc3cccnc3)c2)ccc1					6.3						
-N#Cc1cc(C(=O)Nc2cncc(Oc3cccnc3)n2)ccc1					6.34						
-N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)c2)ccc1					5.37						
-N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)c2)cnc1					5.0						
-N#Cc1cc(C(=O)Nc2cncc(Oc3cncnc3)n2)ccc1					6.19						
-N#Cc1cc(C(=O)Nc2nc(Oc3ccc(C(F)(F)F)nc3)ccc2)ccc1					4.523						
-N#Cc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)ccc1			3.66								4.39
-N#Cc1cc(C=Cc2nc(N)ncc2)ccc1											4.523
-N#Cc1cc(COc2cc(=O)n3c(n2)COCC3Cc2ccccc2)ccc1					8.42						
-N#Cc1cc(Cl)c(F)c(-c2cc(-c3ncc(F)cc3)ncn2)c1					9.25						
-N#Cc1cc(Cl)c(F)c(-c2cc(-c3ncccc3)ncn2)c1					8.85						
-N#Cc1cc(Cl)c(F)c(-c2cc(-n3cccn3)ncn2)c1					8.95						
-N#Cc1cc(Cl)cc(-c2cc(-c3ncc(Cl)cc3)ncn2)c1					8.65						
-N#Cc1cc(Cl)cc(-c2cc(-c3ncc(F)cc3)ncn2)c1					9.267						
-N#Cc1cc(Cl)cc(-c2cc(-c3ncccc3)ncn2)c1					8.533						
-N#Cc1cc(Cl)cc(-c2cc(-c3nnccc3)ncn2)c1					7.35						
-N#Cc1cc(Cl)cc(-c2cc(-n3cc(F)cn3)ncn2)c1					7.5						
-N#Cc1cc(Cl)cc(-c2cc(-n3cccn3)ncn2)c1					8.367						
-N#Cc1cc(Cl)cc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)c1					6.55						
-N#Cc1cc(Cl)nc(OCc2cc(Cl)ccc2)c1					8.3						
-N#Cc1cc(Cl)nc(OCc2ccnc(Cl)c2)c1					7.455						
-N#Cc1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1					6.8						
-N#Cc1cc(F)cc(-c2ccc(-c3ncccc3)o2)c1					7.212999999999999						
-N#Cc1cc(F)cc(-c2nc(-c3ncccc3)co2)c1					7.66						
-N#Cc1cc(F)cc(-c2nc(-c3ncccn3)no2)c1					5.96						
-N#Cc1cc(F)cc(-c2nc(-c3nccnc3)no2)c1					5.33						
-N#Cc1cc(F)cc(-c2noc(-c3ncccc3)n2)c1					7.64						
-N#Cc1cc(F)cc(N2CCc3c(C2)oc(-c2ccccn2)n3)c1					7.27						
-N#Cc1cc(F)cc(Nc2ncc3C(=O)CCCc3n2)c1					4.96						
-N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	9.1075										
-N#Cc1cc(F)ccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)cnn23)c1	9.35										
-N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	8.83										
-N#Cc1cc(N2CC3N=C(c4ccccn4)OC3C2)ccc1					6.89						
-N#Cc1cc(N2CCCc3c(C2)nc(-c2ccccn2)o3)cc(F)c1					7.8						
-N#Cc1cc(N2CCCc3c(C2)nc(-c2ccccn2)o3)ccc1					7.242000000000001						
-N#Cc1cc(N2CCc3c(C2)nc(-c2ccccn2)o3)cc(F)c1					7.551						
-N#Cc1cc(N2CCc3c(C2)nc(-c2ccccn2)o3)ccc1					7.221						
-N#Cc1cc(N2CCn3cc(-c4ccccn4)nc3C2)cc(F)c1					6.82						
-N#Cc1cc(N2CCn3nc(-c4ccccn4)nc3C2)cc(F)c1					6.46						
-N#Cc1cc(NC(=O)NC2=NC(=O)CCN2)ccc1					5.399						
-N#Cc1cc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(CO)CC2)cc(F)c1					7.62						
-N#Cc1cc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(F)cc2)ccc1					7.7						
-N#Cc1cc2=NC(=O)C(=O)N=c2cc1[N+](=O)[O-]				4.64							
-N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1cnnc-21	7.6										
-N#Cc1cc2c(cc1)-n1cnc(Cl)c1Cn1ncnc-21	8.62										
-N#Cc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		6.1									
-N#Cc1cc2c(nc(O)c(O)n2)c([N+](=O)[O-])c1		5.55									
-N#Cc1ccc(-c2cc(-c3ccccc3)nnc2)cc1	7.303333333333334										
-N#Cc1ccc(-c2nc3c(CCN(C(=O)c4ccccc4)C3)o2)nc1					6.62						
-N#Cc1ccc(C(=O)N2CCn3nc(COc4cc(F)ccc4)cc3C2)cc1F					5.75						
-N#Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F					4.52						
-N#Cc1ccc(C=Cc2nc(N)ncc2)cc1											4.523
-N#Cc1ccc(C=NNC(=N)N)cc1		3.64									
-N#Cc1ccc(COCC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)s1					6.68						
-N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.165										
-N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1							7.89				
-N#Cc1ccc(F)c(-c2cc(-n3cccn3)ncn2)c1					6.6						
-N#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1					5.12						
-N#Cc1ccc(F)cc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	9.33										
-N#Cc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											7.03
-N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2	7.75										
-N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1=CCNCC1	9.34										
-N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C1CCNCC1	9.62										
-N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2C=O	7.72										
-N#Cc1ccc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1CC1CC1	7.57										
-N#Cc1cccc(-c2cc(-c3c(F)cc(F)cc3)nnc2)c1	7.705										
-N#Cc1cccc(-c2cc(-c3c(F)cccc3)nnc2)c1	8.285										
-N#Cc1cccc(-c2cc(-c3cc(F)c(F)cc3)nnc2)c1	7.64										
-N#Cc1cccc(-c2cc(-c3cc(F)ccc3)nnc2)c1	8.27										
-N#Cc1cccc(-c2cc(-c3ncncc3)ncn2)c1					7.9						
-N#Cc1cccc(-c2cc(-n3cccn3)ncn2)c1					6.1						
-N#Cc1cccc(-c2cn(-c3ncccc3)cc2)c1					5.33						
-N#Cc1cccc(-c2cn(-c3ncccc3)cn2)c1					5.0						
-N#Cc1cccc(-c2cn(-c3ncccc3)nc2)c1					6.05						
-N#Cc1cccc(-c2cn(-c3ncccc3)nn2)c1					5.0						
-N#Cc1cccc(-c2nc(-c3ncccc3)no2)c1					7.185						
-N#Cc1cccc(-c2nn(-c3ncccc3)cc2)c1					5.442						
-N#Cc1cccc(-c2nn(-c3ncccc3)cn2)c1					5.21						
-N#Cc1cccc(-c2nn(-c3ncccc3)nc2)c1					6.68						
-N#Cc1cccc(-c2nn(-c3ncccc3)nn2)c1					6.57						
-N#Cc1cccc(-c2nncc(-c3ccccc3)c2)c1	6.1770000000000005										
-N#Cc1cccc(-n2cc(-c3ncccc3)nn2)c1					6.01						
-N#Cc1cccc(-n2ccc(-c3ncccc3)c2)c1					6.72						
-N#Cc1cccc(-n2ccc(-c3ncccc3)n2)c1					6.36						
-N#Cc1cccc(-n2cnc(-c3ncccc3)c2)c1					5.94						
-N#Cc1cccc(-n2cnc(-c3ncccc3)n2)c1					6.16						
-N#Cc1cccc(-n2ncc(-c3ncccc3)n2)c1					7.1						
-N#Cc1cccc(C#CC2CCCC3CN(c4ncccc4C#N)CCN23)c1					7.7						
-N#Cc1cccc(C(=O)N2CCc3c(C2)oc(-c2ncccc2)n3)c1					5.58						
-N#Cc1cccc(C(=O)NC2CCCC(C(=O)Nc3ncccc3)C2)c1					5.0						
-N#Cc1cccc(C(=O)NC2CCCC(NC(=O)c3ncccc3)C2)c1					6.178999999999999						
-N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1					7.134						
-N#Cc1cccc(C=NNC(=N)N)c1		4.36									
-N#Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1					6.53						
-N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1	7.01										
-N#Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)c1	6.55										
-N#Cc1cccc(F)c1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	9.26										
-N#Cc1cccc(N2CCc3c(C2)oc(-c2ccccn2)n3)c1					6.54						
-N#Cc1cccc(NC(=O)c2cccc3c2nc(O)o3)c1					6.49						
-N#Cc1cccc(NC(=O)c2ncccc2)c1											7.98
-N#Cc1cccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											5.31
-N#Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1					6.57						
-N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(Cl)cc2)c1					7.794						
-N#Cc1ccccc1-c1c(F)ccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	9.4375										
-N#Cc1ccccc1-c1cc(F)cc(-c2cnc3nc(C(F)(F)F)ccn23)c1	8.31										
-N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	9.446666666666667										
-N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F	8.729999999999999										
-N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1	9.39										
-N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)c1	7.481										
-N#Cc1ccccc1-c1ccnc(-c2cnc3nc(C(F)(F)F)ccn23)n1	7.481										
-N#Cc1ccccc1-c1cncc(-c2cnc3nc(C(F)(F)F)ccn23)c1	7.6155										
-N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)c1	8.57										
-N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1	8.925										
-N#Cc1ccccc1C=Cc1nc(N)ncc1											4.523
-N#Cc1ccccc1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1					5.63						
-N#Cc1cccnc1N1CCc2c(C1)nc(-c1ccccc1)o2					5.921						
-N#Cc1cccnc1N1CCc2c(C1)nc(-c1ccccn1)o2					6.96						
-N#Cc1cn(C2=NCC(=O)N3CCc4c(cccc4I)C3=C2)cn1					5.37	5.0					
-N#Cc1cnc(-c2ncnc(-c3cc(C#N)cc(Cl)c3)c2)cc1					9.2						
-N#Cc1cnc(-c2noc(-c3cc(C#N)cc(F)c3)n2)cc1					7.615						
-N#Cc1csc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1					5.0						
-N#Cc1csc(NC(=O)C2c3ccccc3Oc3c2cccc3)n1						6.443					
-N#Cc1nc2c(ccc(CCc3cncnc3)c2)c(-c2ccc(F)cc2)c1							6.77				
-N#Cc1nc2c(ccc(CN3C(=O)CCC3=O)c2)c(-c2ccc(F)cc2)c1							6.38				
-N#Cc1nc2c(ccc(CN3C(=O)COC3=O)c2)c(-c2ccc(F)cc2)c1							6.4				
-N#Cc1nc2c(ccc(CN3CCCC3=O)c2)c(-c2ccc(F)cc2)c1							5.51				
-N#Cc1nccnc1N1CCN2C(CCC2c2nn(-c3cc(Cl)ccc3)nn2)C1					8.0						
-N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+]([O-])C(F)(F)F	8.288833333333335										
-N=C(C=CC1CCCCC1)NCc1ccccc1		7.72									
-N=C(C=Cc1c(Cl)cccc1)NCc1ccccc1		7.03									
-N=C(C=Cc1cc(Cl)ccc1)NCc1ccccc1		7.92									
-N=C(C=Cc1cc(F)c(F)cc1)NCc1ccccc1		8.77									
-N=C(C=Cc1ccc(Cl)cc1)NCc1ccccc1		7.28									
-N=C(C=Cc1ccc(F)cc1)NCc1ccccc1		8.24									
-N=C(C=Cc1ccccc1)NCCCc1ccccc1		6.92									
-N=C(C=Cc1ccccc1)NCCc1ccccc1		7.01									
-N=C(C=Cc1ccccc1)NCc1c(C(F)(F)F)cccc1		8.85									
-N=C(C=Cc1ccccc1)NCc1c(Cl)c(Cl)ccc1		8.44									
-N=C(C=Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1		8.57									
-N=C(C=Cc1ccccc1)NCc1c(Cl)cccc1		9.0									
-N=C(C=Cc1ccccc1)NCc1c(OC(F)(F)F)cccc1		9.22									
-N=C(C=Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1		8.85									
-N=C(C=Cc1ccccc1)NCc1cc(Cl)ccc1		9.1									
-N=C(C=Cc1ccccc1)NCc1ccc(C(F)(F)F)cc1		5.85									
-N=C(C=Cc1ccccc1)NCc1ccc(Cl)cc1		7.11									
-N=C(C=Cc1ccccc1)NCc1cccc(C(F)(F)F)c1		7.51									
-N=C(C=Cc1ccccc1)NCc1ccccc1		7.827500000000001									
-N=C(CCc1ccccc1)NCc1ccccc1		6.28									
-N=C(N)N(Cc1ccccc1)Cc1cc(CN(Cc2ccccc2)C(=N)N)ccc1		5.535000000000001									
-N=C(N)N(c1ccccc1)c1ccccc1		4.0									
-N=C(N)NCCCCNC(=N)N		4.57									
-N=C(N)NCc1cc(CN=C(N)N)cc(-c2ccccc2)c1		5.045									
-N=C(N)NCc1cc(CNC(=N)N)cc(OC2CCCCC2)c1		5.0200000000000005									
-N=C(N)NCc1cc(NC(=O)c2ccccc2)cc(CN=C(N)N)c1		5.025									
-N=C(N)NCc1cccc(CNC(=N)N)c1		5.535000000000001									
-N=C(N)NCc1cccc(CNC(=N)N)n1		4.8549999999999995									
-N=C(N)NCc1cn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nn1	3.051										
-N=C(N)NCc1nn(CC2C(NC(=O)C(=NOC3(C(=O)O)CC3)c3csc(N)n3)C(=O)N2S(=O)(=O)O)nc1	3.721										
-N=C(N)NN=CC=Cc1ccccc1		4.23									
-N=C(N)NN=Cc1c(-c2ccccc2)cccc1		5.07									
-N=C(N)NN=Cc1c(C(F)(F)F)cccc1		4.6									
-N=C(N)NN=Cc1cc(Cl)ccc1		4.74									
-N=C(N)NN=Cc1cc(N)ccc1		3.65									
-N=C(N)NN=Cc1cc2c(cc1)OCO2		4.41									
-N=C(N)NN=Cc1cc2c(cc1)[nH]cc2		4.3									
-N=C(N)NN=Cc1cc2c(cccc2)[nH]1		4.24									
-N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1		3.96									
-N=C(N)NN=Cc1ccc(C=NN=C(N)N)cc1		4.49									
-N=C(N)NN=Cc1ccc(Cl)cc1		5.44									
-N=C(N)NN=Cc1ccc(Cl)cc1Cl		4.99									
-N=C(N)NN=Cc1ccc(F)cc1		4.04									
-N=C(N)NN=Cc1ccc(F)cc1F		4.26									
-N=C(N)NN=Cc1ccc(N)cc1		3.96									
-N=C(N)NN=Cc1ccc(O)cc1O		3.6699999999999995									
-N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1		4.11									
-N=C(N)NN=Cc1ccc2ccccc2c1		5.06									
-N=C(N)NN=Cc1ccc[nH]1		4.02									
-N=C(N)NN=Cc1cccc([N+](=O)[O-])c1		3.81									
-N=C(N)NN=Cc1cccc2c1cccc2		4.57									
-N=C(N)NN=Cc1ccccc1		4.14									
-N=C(N)NN=Cc1ccccc1Cl		5.15									
-N=C(N)NN=Cc1ccccc1F		4.13									
-N=C(N)NN=Cc1cccnc1		3.1699999999999995									
-N=C(N)NN=Cc1ccncc1		3.27									
-N=C(N)NN=Cc1cscc1		3.7399999999999998									
-N=C(N)c1ccc(N2CCCN(c3ccc(C(=N)N)cc3)CC2)cc1		5.92									
-N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1		6.14									
-N=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3		5.0									
-N=C(NC1CC1c1ccccc1)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(NC1CC2CCC1C2)NC1CC2CCC1C2		5.3									
-N=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(NC1CCCCC1)NC1CCCCC1		5.0									
-N=C(NCCc1ccccc1)c1ccccc1		7.26									
-N=C(NCc1c(C(F)(F)F)cccc1)c1ccc(OC(F)(F)F)cc1		6.133									
-N=C(NCc1c(Cl)cccc1)c1cc2c(cccc2)cc1		8.14									
-N=C(NCc1c(Cl)cccc1)c1ccc(C(F)(F)F)cc1		7.285									
-N=C(NCc1c(OC(F)(F)F)cccc1)c1cc(Cl)c(Cl)cc1		6.29									
-N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1		6.71									
-N=C(NCc1cc(Cl)ccc1)c1c(Cl)cccc1		5.41									
-N=C(NCc1cc(Cl)ccc1)c1c(F)cccc1		4.824									
-N=C(NCc1cc(Cl)ccc1)c1cc(Cl)c(Cl)cc1		6.1899999999999995									
-N=C(NCc1cc(Cl)ccc1)c1cc(Cl)ccc1		6.24									
-N=C(NCc1cc(Cl)ccc1)c1cc(F)ccc1		5.7									
-N=C(NCc1cc(Cl)ccc1)c1cc2c(cccc2)cc1		8.8									
-N=C(NCc1cc(Cl)ccc1)c1ccc(C(F)(F)F)cc1		7.6									
-N=C(NCc1cc(Cl)ccc1)c1ccc(Cl)cc1		7.0									
-N=C(NCc1cc(Cl)ccc1)c1ccc(F)cc1		6.285									
-N=C(NCc1cc(Cl)ccc1)c1ccccc1		5.38									
-N=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1		6.17									
-N=C(NCc1ccccc1)NCc1ccccc1		5.17									
-N=C(NCc1ccccc1)c1cc2c(cccc2)cc1		7.5									
-N=C(NCc1ccccc1)c1ccc(-c2ccccc2)cc1		5.75									
-N=C(NCc1ccccc1)c1ccc(C(F)(F)F)cc1		6.38									
-N=C(NCc1ccccc1)c1ccc(Cl)cc1		6.075									
-N=C(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1		7.13									
-N=C(NCc1ccccc1)c1ccccc1		5.0									
-N=C(Nc1c(C(F)(F)F)cccc1)Nc1c(C(F)(F)F)cccc1		5.38									
-N=C(Nc1c(I)cccc1)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(Nc1c(I)cccc1)NC1C2CC3CC(C2)CC1C3		5.0									
-N=C(Nc1c(I)cccc1)Nc1c(I)cccc1		6.65									
-N=C(Nc1c(I)cccc1)Nc1ccccc1C=Cc1ccccc1		5.0									
-N=C(Nc1c2CCCCc2ccc1)Nc1c2CCCCc2ccc1		5.8									
-N=C(Nc1cc(I)ccc1)Nc1cc(I)ccc1		5.96									
-N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1		4.47									
-N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12		6.87									
-N=C(Nc1ccccc1)Nc1ccccc1		5.46									
-N=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12		5.0									
-N=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1-c1ccccc1		5.0									
-N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C(Nc1ccccc1C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2		5.46									
-N=C(Nc1ccccc1C=Cc1ccccc1)NC1C2CC3CC(C2)CC1C3		5.0									
-N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2		5.0									
-N=C1N(c2ccccc2)CCN1c1ccccc1		5.0									
-N=C1c2c(cc(OC(F)(F)F)cc2)CN1Cc1cccc(Cl)c1		7.705									
-N=C1c2c(cc(OC(F)(F)F)cc2)CN1Cc1cccc2c1occ2		8.29									
-N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)no1	6.82										
-N=c1c2c(cccc2)c(-c2ccccc2)nn1Cc1cc(O)ns1	7.2										
-N=c1ccc(-c2cc3c(cc2)OCO3)nn1CCCC(=O)O	7.3										
-N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)no1	7.669999999999999										
-N=c1ccc(-c2cc3c(cc2)OCO3)nn1Cc1cc(O)ns1	8.445										
-N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O	6.55										
-N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)no1	6.510000000000001										
-N=c1ccc(-c2ccc(Cl)cc2)nn1Cc1cc(O)ns1	7.18										
-N=c1ccc(-c2ccc(OCc3cc([N+](=O)[O-])ccc3)cc2)nn1CCCC(=O)O	8.52										
-N=c1ccc(-c2ccc(OCc3ccccc3)cc2)nn1CCCC(=O)O	7.96										
-N=c1ccc(-c2ccccc2)nn1CCCC(=O)O	5.919999999999999										
-N=c1ccc(-c2ccccc2)nn1Cc1cc(O)no1	5.75										
-N=c1ccc(-c2cscc2)nn1CCCC(=O)O	5.62										
-N=c1ccc(-c2cscc2)nn1Cc1cc(O)no1	5.8										
-NC(=NC12CC3CC(CC(C3)C1)C2)Nc1c([N+](=O)[O-])cccc1		5.0									
-NC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.51
-NC(=O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											6.021
-NC(=O)CCC(CC(N)C(=O)O)C(=O)O											4.0
-NC(=O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1	4.4										
-NC(=O)c1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.41						
-NC(=O)c1c(NC(=O)Cn2cc(CN3CCC3)c(C(F)(F)F)n2)sc2c1CCCC2						6.0					
-NC(=O)c1c(NC(=O)Cn2cc(CNC3CC3)c(C(F)(F)F)n2)sc2c1CCCC2						6.2					
-NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCNC3)sc2c1CCCC2						6.0					
-NC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1							6.77				
-NC(=O)c1cc(-c2c[nH]nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							6.115				
-NC(=O)c1cc(-c2ccc(Br)cc2)c2ccccc2n1							6.77				
-NC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1							7.24				
-NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1							7.13				
-NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1							7.68				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCCC3)cc2n1							6.52				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCCCC3)cc2n1							6.9				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)N3CCOCC3)cc2n1							6.01				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1							7.91				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3cccnc3)cc2n1							8.3				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1							7.07				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cccnc3)cc2n1							8.0				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccncc3)cc2n1							7.36				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3cncnc3)cc2n1							8.15				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2n1							7.55				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1			5.0	5.04		5.0	7.875		5.0		5.0
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1							7.68			5.0	
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CNC3=O)cc2n1							7.42				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COCC3=O)cc2n1							6.64				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC(O)CC3C(N)=O)cc2n1							6.56				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1							7.21			5.0	
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)C3)cc2n1							6.93				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(N)CC3)cc2n1							6.42				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)(O)CC3)cc2n1							6.93				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)CC3)cc2n1							6.41				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1							7.03				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1							7.287000000000001				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1							7.28				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1							6.74				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(N)=O)cc2n1							7.11				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCC3=O)cc2n1							7.24			5.0	
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCCS3(=O)=O)cc2n1							7.38				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3(=O)=O)cc2n1							6.98				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCCC4C3)cc2n1							6.76				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1							7.09				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)(F)F)C3)cc2n1							7.85				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C(F)F)C3)cc2n1							7.45				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C4CC4)C3)cc2n1							7.05				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1							7.1				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1							6.87				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1							6.63				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							7.62				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1							6.91				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1							7.17			5.0	
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1							7.25				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(C(F)(F)F)nc4C3)cc2n1							7.42				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1							7.82				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1							7.33				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccnc(CO)c3)cc2n1							8.1				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1							7.7				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1							7.26				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2n1							6.72				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4cccnc4)nc4ccccc43)cc2n1							7.38				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CC4)nc4ccccc43)cc2n1							7.14				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCC4)nc4ccccc43)cc2n1							7.09				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCCC4)nc4ccccc43)cc2n1							7.05				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc43)cc2n1							7.62				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(S(=O)(=O)O)nc4ccccc43)cc2n1							7.57				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1							7.51				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)O)nn3)cc2n1							7.08				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CC4)cn3)cc2n1							7.2				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(O)C4CCCC4)cn3)cc2n1							6.72				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1							7.19				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1							7.64				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1							7.37				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc43)cc2n1							7.34				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc43)cc2n1							7.16				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ncccc43)cc2n1							7.26				
-NC(=O)c1cc(-c2ccc(F)cc2)c2cccc(F)c2n1							6.47				
-NC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1							6.83			5.0	
-NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1							7.92				
-NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccccc2n1							7.0				
-NC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1							6.18				
-NC(=O)c1cc(-c2ccccc2Br)c2ccccc2n1							6.17				
-NC(=O)c1cc(-c2cn(-c3ccccc3)nc2)c2ccccc2n1							6.3				
-NC(=O)c1cc(-c2cn(C(F)F)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							7.96				
-NC(=O)c1cc(-c2cn(C3CC3)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							6.73				
-NC(=O)c1cc(-c2cn(CC(F)(F)F)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							6.8				
-NC(=O)c1cc(-c2cn(CF)nc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							7.897				
-NC(=O)c1cc(-c2cnc(C3CC3)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1							6.58				
-NC(=O)c1cc(C2=CCCC2)c2ccccc2n1							6.08				
-NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1							7.8				
-NC(=O)c1cc(C2CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1							7.54				
-NC(=O)c1cc(F)cc(-c2cc(-n3cccn3)ncn2)c1					4.2						
-NC(=O)c1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							4.523				
-NC(=O)c1ccc(C(OCc2conc2-c2ccc(F)cn2)C(F)(F)F)nc1	8.03										
-NC(=O)c1ccc(CC(O)OCc2conc2-c2ccc(F)cn2)nc1	7.67										
-NC(=O)c1ccc(COCc2conc2-c2ccc(F)cn2)nc1	7.73										
-NC(=O)c1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							4.523				
-NC(=O)c1ccccc1-c1nc(-c2ccccn2)no1					5.481						
-NC(=O)c1cnc(C#Cc2ccccc2)cc1					5.18						
-NC(C(=O)O)(C1CC(C(=O)O)C1)C1c2ccccc2Sc2c1cccc2						6.0					
-NC(C(=O)O)C(O)C(O)C(=O)O						3.59					
-NC(C(=O)O)C12C3C4C1C1C2C3C41C(=O)O					6.0	4.12	4.63				4.7
-NC(C(=O)O)C12CC(C(=O)O)(C1)C2					3.988	4.575					
-NC(C(=O)O)C12CC(c3n[nH]nn3)(C1)C2						4.16					
-NC(C(=O)O)C1C(C(=O)O)C1C(=O)O							6.96				
-NC(C(=O)O)C1C(C(=O)O)C1C1CC1						4.0	7.301				4.0
-NC(C(=O)O)C1C(C(=O)O)C1C1CCCCC1						4.0	4.21				4.0
-NC(C(=O)O)C1C(C(=O)O)C1c1ccccc1						4.29	5.1				4.3
-NC(C(=O)O)C1C(CC2c3ccccc3Oc3c2cccc3)C1C(=O)O							5.38				
-NC(C(=O)O)C1C(CCC2c3ccccc3Oc3c2cccc3)C1C(=O)O							6.962999999999999			6.7	
-NC(C(=O)O)C1C(CO)C1C(=O)O			8.2								
-NC(C(=O)O)C1C(O)C1C(=O)O							7.64			8.52	
-NC(C(=O)O)C1C(c2ccccc2)C1P(=O)(O)O							3.495				
-NC(C(=O)O)C1CC1C(=O)O			5.47	5.24	5.51	4.3	6.365		3.638	6.36	4.3
-NC(C(=O)O)C1CC1P(=O)(O)O									3.155		
-NC(C(=O)O)C1CC1S(=O)(=O)O					4.207	4.29	3.629				
-NC(C(=O)O)c1c(Cl)c(O)cc(O)c1						3.125					
-NC(C(=O)O)c1c(Cl)ccc(O)c1					3.125						
-NC(C(=O)O)c1cc(C(=O)O)c(C(=O)O)cc1			7.502999999999999	5.5					4.523		5.605
-NC(C(=O)O)c1cc(O)c(C(=O)O)cc1						4.44	4.447				
-NC(C(=O)O)c1cc(O)cc(O)c1					5.72	5.18					
-NC(C(=O)O)c1cc(O)ccc1					4.85	4.17					
-NC(C(=O)O)c1cc(O)no1					4.77	4.795	3.959				
-NC(C(=O)O)c1ccc(C(=O)O)cc1					3.81	4.34	3.239				3.077
-NC(C(=O)O)c1ccc(CP(=O)(O)O)cc1		5.52									
-NC(C(=O)O)c1ccc(O)c(C(=O)O)c1						4.4					
-NC(C(=O)O)c1ccc(P(=O)(O)O)cc1			6.68	5.33	3.301	3.301	3.523		4.32	3.699	5.348
-NC(CC(CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O							5.007			5.21	
-NC(CC(CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O							5.0			4.52	
-NC(CC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O							6.66			6.77	
-NC(CC12CC(C(=O)O)(C1)C2)C(=O)O					3.474	3.678					
-NC(CC12CC(CC(=O)O)(C1)C2)C(=O)O					3.533	4.23					
-NC(CC12CC(CP(=O)(O)O)(C1)C2)C(=O)O					3.523	3.523					
-NC(CC1CCC1)(C(=O)O)C1CC1C(=O)O							5.0			5.0	
-NC(CC1CCCCC1)(C(=O)O)C1CC1C(=O)O							5.96			5.85	
-NC(CC1CCCCC1CCP(=O)(O)O)C(=O)O		6.06									
-NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1C(CCc2ccccc2)C1C(=O)O			6.0		4.0	4.0			4.81		4.94
-NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1(F)C(=O)O							7.83				
-NC(CC1c2ccccc2Oc2c1cccc2)(C(=O)O)C1CC1C(=O)O			6.77		5.09	5.14	7.874		6.0	8.28	4.66
-NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)C1CC(C(=O)O)C1					6.33	6.46					
-NC(CC1c2ccccc2Sc2c1cccc2)(C(=O)O)c1ccc(C(=O)O)cc1					5.47	5.24					
-NC(CCC(=O)O)C(=O)O		7.160000000000001	8.24	4.81	5.562	6.11	5.382999999999999		5.93	6.16	5.615
-NC(CCC(c1ccccc1)c1ccccc1)(C(=O)O)C1CC1C(=O)O							5.0			5.0	
-NC(CCC12CC3CC(CC(C3)C1)C2)(C(=O)O)C1CC1C(=O)O							6.62			6.12	
-NC(CCCC(=O)O)C(=O)O				3.854			4.46				
-NC(CCCCCP(=O)(O)O)C(=O)O		5.65									
-NC(CCCCc1ccccc1)(C(=O)O)C1CC1C(=O)O							6.35			5.55	
-NC(CCCCc1n[nH]nn1)C(=O)O		5.0									
-NC(CCCP(=O)(O)O)C(=O)O		6.089999999999999					3.688				
-NC(CCCc1ccccc1)(C(=O)O)C1CC1C(=O)O							6.0			6.26	
-NC(CCCc1n[nH]nn1)C(=O)O		5.9799999999999995									
-NC(CCP(=O)(O)C(N)c1cccc([N+](=O)[O-])c1)C(=O)O			5.66								6.27
-NC(CCP(=O)(O)C(N)c1csc([N+](=O)[O-])c1)C(=O)O			5.75								6.1
-NC(CCP(=O)(O)C(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O			5.14								5.36
-NC(CCP(=O)(O)C(NCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1)C(=O)O			4.45								5.1
-NC(CCP(=O)(O)C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O			4.53								4.6
-NC(CCP(=O)(O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(=O)O			4.925	4.52					4.0		5.28
-NC(CCP(=O)(O)C(O)c1c(O)ccc([N+](=O)[O-])c1)C(=O)O			5.38								6.05
-NC(CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O			5.54								5.75
-NC(CCP(=O)(O)C(O)c1c[nH]c2c1cccn2)C(=O)O			5.16								5.47
-NC(CCP(=O)(O)C(O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O			4.62	5.693					4.323		5.447
-NC(CCP(=O)(O)C(O)c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O			4.875	4.58					4.0		5.345
-NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O			5.18								5.85
-NC(CCP(=O)(O)C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O			5.35								5.62
-NC(CCP(=O)(O)C(O)c1ccc(C(=O)O)cc1)C(=O)O			3.851	4.51					3.772		5.1
-NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C(=O)O			5.81	5.08					4.0		6.39
-NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)cc1)C(=O)O			4.47								4.82
-NC(CCP(=O)(O)C(O)c1ccc(C(F)(F)F)o1)C(=O)O			5.28								5.8
-NC(CCP(=O)(O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O			5.455	4.75					4.0		5.515
-NC(CCP(=O)(O)C(O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O			6.035	5.0					4.0		6.29
-NC(CCP(=O)(O)C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O			4.0	4.0					4.0		3.618
-NC(CCP(=O)(O)C(O)c1ccc(O)c(C(=O)O)c1)C(=O)O			4.4								4.8
-NC(CCP(=O)(O)C(O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O			4.355	5.008					4.185		5.777
-NC(CCP(=O)(O)C(O)c1ccc(O)cc1)C(=O)O			4.6								5.11
-NC(CCP(=O)(O)C(O)c1ccc(O)nc1)C(=O)O			4.77								4.48
-NC(CCP(=O)(O)C(O)c1ccc(OCC(=O)O)cc1)C(=O)O			4.54	5.38							6.96
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)O			6.01	5.54					4.0		6.4
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O			4.7								5.64
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1)C(=O)O			6.295	5.34					4.0		6.305
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O			5.34								5.82
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])o1)C(=O)O			6.52	5.21							6.82
-NC(CCP(=O)(O)C(O)c1ccc([N+](=O)[O-])s1)C(=O)O			5.72	5.38					4.0		6.31
-NC(CCP(=O)(O)C(O)c1cccc(C(=O)O)c1)C(=O)O			3.903	4.0							4.66
-NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1)C(=O)O			5.882999999999999	5.393							6.247000000000001
-NC(CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1O)C(=O)O			4.67								4.64
-NC(CCP(=O)(O)C(O)c1cccnc1)C(=O)O			4.44								4.52
-NC(CCP(=O)(O)C(O)c1ccnc(O)c1)C(=O)O			4.09								4.38
-NC(CCP(=O)(O)C(O)c1ccncc1)C(=O)O			4.58								4.55
-NC(CCP(=O)(O)C(O)c1coc(C(=O)O)c1)C(=O)O			5.04								5.7
-NC(CCP(=O)(O)C(O)c1csc([N+](=O)[O-])c1)C(=O)O			6.355	5.44					3.379		6.76
-NC(CCP(=O)(O)CCC(=O)O)C(=O)O			5.15	4.84					4.05		5.21
-NC(CCP(=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O			3.5580000000000003	4.0					4.0		4.62
-NC(CCP(=O)(O)Cc1cccc(C(=O)O)c1)C(=O)O			3.292								3.674
-NC(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)C(=O)O			5.68	5.5					4.0		6.24
-NC(CCP(=O)(O)O)C(=O)O			7.147	6.292999999999999			3.889		3.665		6.8
-NC(CCS(=O)(=O)O)C(=O)O					4.27	4.06	3.523				4.28
-NC(CCc1cc(C(=O)O)ccc1)(C(=O)O)C1CC1C(=O)O										7.1	
-NC(CCc1cc(C(F)(F)F)ccc1)(C(=O)O)C1CC1C(=O)O							6.66			6.38	
-NC(CCc1cc(Cl)ccc1)(C(=O)O)C1CC1C(=O)O							6.747999999999999			6.747999999999999	
-NC(CCc1cc(O)ccc1)(C(=O)O)C1CC1C(=O)O							6.0			6.58	
-NC(CCc1ccc(F)cc1)(C(=O)O)C1CC1C(=O)O							6.747999999999999			6.68	
-NC(CCc1cccc(C(=O)O)c1)(C(=O)O)C1CC1C(=O)O							5.747999999999999				
-NC(CCc1cccc2ccccc12)(C(=O)O)C1CC1C(=O)O							6.62			6.33	
-NC(CCc1ccccc1)(C(=O)O)C1CC1C(=O)O							6.071000000000001			6.19	
-NC(CCc1cscc1)(C(=O)O)C1CC1C(=O)O							6.0			6.24	
-NC(CCc1n[nH]nn1)C(=O)O		5.443									
-NC(CCc1nsnc1O)C(=O)O					3.721		4.415				
-NC(CCn1oc(=O)[nH]c1=O)C(=O)O					4.44	3.735	4.64				
-NC(COP(=O)(O)O)C(=O)O									3.699		5.945
-NC(Cc1c(-c2n[nH]cn2)onc1O)C(=O)O		4.0									
-NC(Cc1c(-c2n[nH]nn2)onc1O)C(=O)O		4.0									
-NC(Cc1c(-c2ncc[nH]2)onc1O)C(=O)O		4.0									
-NC(Cc1c(-c2nccs2)onc1O)C(=O)O		4.0									
-NC(Cc1c(Br)c(O)no1)C(=O)O						3.483					
-NC(Cc1c(Cl)c(O)no1)C(=O)O						3.0660000000000003					
-NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O	4.64										
-NC(Cc1cc(O)no1)C(=O)O					3.31	3.602					
-NC(Cc1ccccc1)(C(=O)O)C1CC1C(=O)O							5.0			5.0	
-NC(Cc1cn(C(Cc2ccccc2)C(=O)O)nn1)C(=O)O							4.0				4.0
-NC(Cc1cn(CC(=O)O)nn1)C(=O)O							4.0				4.0
-NC(Cc1cnnn1C(Cc1ccccc1)C(=O)O)C(=O)O							4.0				4.0
-NC(Cc1cnnn1CC(=O)O)C(=O)O							4.0				4.0
-NC(Cc1n[nH]nn1)C(=O)O		6.175									
-NC(Cc1ncccc1)c1ccccc1		6.25									
-NC(Cn1cc(C(=O)O)nn1)C(=O)O							4.0				4.0
-NC(Cn1oc(=O)[nH]c1=O)C(=O)O					6.2	6.33	3.947			4.4	3.951
-NC(c1c2nc(O)c(O)nc2cc([N+](=O)[O-])c1)P(=O)(O)O		7.4									
-NC1(C(=O)O)C(Cc2cc(Cl)c(F)cc2)CC2C(C(=O)O)C21							6.45			7.04	
-NC1(C(=O)O)C(F)CC2C(C(=O)O)C21							6.82			7.12	
-NC1(C(=O)O)C(O)CC2C(C(=O)O)C21			4.82		4.0	4.0	6.96			7.0	4.66
-NC1(C(=O)O)C(OCc2c(Cl)c(Cl)ccc2)C(O)C2C(C(=O)O)C21							6.83			7.08	
-NC1(C(=O)O)C(OCc2c(Cl)ccc(Cl)c2)C(O)C2C(C(=O)O)C21							6.41			6.73	
-NC1(C(=O)O)C(OCc2cc(Cl)c(Cl)cc2)C(O)C2C(C(=O)O)C21							7.232				
-NC1(C(=O)O)C(OCc2cc(Cl)c(Cl)cc2)CC2C1C2(F)C(=O)O							8.18			7.985	
-NC1(C(=O)O)C(OCc2cc(Cl)ccc2)C(O)C2C(C(=O)O)C21							6.55			6.75	
-NC1(C(=O)O)C(OCc2cc(F)c(Cl)cc2)C(O)C2C(C(=O)O)C21							6.65			6.9	
-NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(F)C2C(C(=O)O)C21							7.17			7.15	
-NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(O)C2C(C(=O)O)C21			5.72	5.48					4.98	7.08	
-NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2n[nH]cn2)C2C(C(=O)O)C21							8.015			8.1	
-NC1(C(=O)O)C(OCc2ccc(Cl)c(Cl)c2)C(Sc2ncc[nH]2)C2C(C(=O)O)C21							7.79			7.42	
-NC1(C(=O)O)C(OCc2ccc(Cl)cc2)C(O)C2C(C(=O)O)C21							6.68			6.84	
-NC1(C(=O)O)C(OCc2ccccc2)C(O)C2C(C(=O)O)C21							6.51			6.62	
-NC1(C(=O)O)C=S(O)(O)=C2C(C(=O)O)C21							7.631				
-NC1(C(=O)O)C=S(O)C2C(C(=O)O)C21			5.513				10.051			9.77	
-NC1(C(=O)O)CC(=CP(=O)(O)O)C1											5.36
-NC1(C(=O)O)CC(=O)C2C(C(=O)O)C21			5.18	5.86			9.8			9.96	
-NC1(C(=O)O)CC(=O)C2C1C2(F)C(=O)O							9.24			8.68	
-NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1			5.29	4.96					3.553		5.77
-NC1(C(=O)O)CC(C(=O)O)N(C(c2ccccc2)c2ccccc2)C1					3.523	3.523	3.523			3.523	
-NC1(C(=O)O)CC(C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1			3.523		3.523	3.523	4.43			4.2	3.523
-NC1(C(=O)O)CC(C(=O)O)N(CC2CCCCC2)C1					3.523	3.523	4.33			3.523	
-NC1(C(=O)O)CC(C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1					3.523	3.523	3.523				3.523
-NC1(C(=O)O)CC(C(=O)O)N(CCCc2ccccc2)C1					3.523	3.523	3.523				
-NC1(C(=O)O)CC(C(=O)O)N(CCc2ccccc2)C1					3.523	3.523	4.21			3.78	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cc(Cl)cc2)C1					3.523	3.523	3.523				
-NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2)C1			3.523		3.523	3.523	4.12			3.523	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2c(Cl)cccc2Cl)C1			3.523		3.523	3.623	4.38			4.39	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)c(Cl)cc2)C1					4.0	3.523					
-NC1(C(=O)O)CC(C(=O)O)N(Cc2cc(Cl)ccc2)C1			3.523		3.523	3.523	3.523			3.523	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2cc3c(cccc3)cc2)C1			3.523		3.523	3.876	4.3			3.523	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(-c3ccccc3)cc2)C1					3.523	3.523	3.523			3.523	
-NC1(C(=O)O)CC(C(=O)O)N(Cc2ccc(Cl)cc2)C1					3.523	3.523	3.523			3.523	
-NC1(C(=O)O)CC(C(=O)O)N(Cc2cccc3ccccc23)C1			3.523		3.523	3.523	4.7			5.07	3.523
-NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2)C1			3.523	4.7	3.222		3.808			3.523	
-NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2-c2ccccc2)C1			3.523				4.44			4.79	
-NC1(C(=O)O)CC(F)C2C(C(=O)O)C21			4.94	5.851			9.251			9.62	
-NC1(C(=O)O)CC(NC(=O)C2CCCCC2)C2C(C(=O)O)C21							5.403			5.56	
-NC1(C(=O)O)CC(NC(=O)CC2CCCCC2)C2C(C(=O)O)C21							5.66			6.37	
-NC1(C(=O)O)CC(NC(=O)CCc2ccccc2)C2C(C(=O)O)C21							5.843			6.12	
-NC1(C(=O)O)CC(NC(=O)c2ccc(Cl)cc2)C2C(C(=O)O)C21							7.51			8.465	
-NC1(C(=O)O)CC(NC(=O)c2ccc(F)cc2)C2C(C(=O)O)C21							7.1			8.27	
-NC1(C(=O)O)CC(NC(=O)c2ccc(O)cc2)C2C(C(=O)O)C21							7.73			8.35	
-NC1(C(=O)O)CC(NC(=O)c2cccc(Cl)c2)C2C(C(=O)O)C21							7.575			9.21	
-NC1(C(=O)O)CC(NC(=O)c2cccc(F)c2)C2C(C(=O)O)C21							7.205			8.69	
-NC1(C(=O)O)CC(NC(=O)c2cccc(O)c2)C2C(C(=O)O)C21							7.96			8.895	
-NC1(C(=O)O)CC(NC(=O)c2ccccc2)C2C(C(=O)O)C21							7.115			8.235	
-NC1(C(=O)O)CC(NC(=O)c2ccccc2Cl)C2C(C(=O)O)C21							6.89			7.93	
-NC1(C(=O)O)CC(NC(=O)c2ccccc2F)C2C(C(=O)O)C21							7.215			8.265	
-NC1(C(=O)O)CC(NC(=O)c2ccccc2O)C2C(C(=O)O)C21							7.685			9.26	
-NC1(C(=O)O)CC(NCc2ccccc2)C2C(C(=O)O)C21							5.62			6.21	
-NC1(C(=O)O)CC(O)C2C(C(=O)O)C21				5.44			7.644			8.072000000000001	
-NC1(C(=O)O)CC(Sc2c[nH]nn2)C2C(C(=O)O)C21							7.51			6.267	
-NC1(C(=O)O)CC(Sc2ccccc2)C2C(C(=O)O)C21				5.695			5.553999999999999			5.928999999999999	
-NC1(C(=O)O)CC(Sc2n[nH]c(C(F)(F)F)n2)C2C(C(=O)O)C21							7.928			6.974	
-NC1(C(=O)O)CC(Sc2n[nH]c(C(F)F)n2)C2C(C(=O)O)C21							7.922000000000001			6.981	
-NC1(C(=O)O)CC(Sc2n[nH]cn2)C2C(C(=O)O)C21			5.0	5.46			7.511			5.888999999999999	
-NC1(C(=O)O)CC(n2oc(=O)[nH]c2=O)C1					4.635						
-NC1(C(=O)O)CC1CC(=O)O					4.72	5.21	4.817			3.7	
-NC1(C(=O)O)CC1CP(=O)(O)O			5.777	5.59					3.212		5.563
-NC1(C(=O)O)CC1Cc1nsnc1O						5.52	3.6				
-NC1(C(=O)O)CC2CC1C2C(=O)O				5.28	5.14	5.8	5.412000000000001			5.66	4.64
-NC1(C(=O)O)CC2CCC1C2C(=O)O						5.03					
-NC1(C(=O)O)CC=C(P(=O)(O)O)C1											4.77
-NC1(C(=O)O)CCC(C(=O)O)C1			4.35	4.155	4.73	4.723	5.112			4.52	4.26
-NC1(C(=O)O)CCC(CC(=O)O)C1							3.914				
-NC1(C(=O)O)CCC(P(=O)(O)O)C1											4.32
-NC1(C(=O)O)CCC2C(C(=O)O)C21			4.94	5.47			7.701			7.181	
-NC1(C(=O)O)CCc2c1ccc(C(=O)O)c2						5.16					
-NC1(C(=O)O)CCc2c1ccc(P(=O)(O)O)c2							4.52				
-NC1(C(=O)O)CNC(C(=O)O)C1			4.0	3.959	4.0	4.0	6.35		3.523	5.955	3.523
-NC1(C(=O)O)COC2C(C(=O)O)C21			5.771	6.4	4.0		8.33			8.29	4.68
-NC1(C(=O)O)CS(=O)(=O)C2C(C(=O)O)C21			4.32				7.23			7.18	
-NC1(C(=O)O)CSC2C(C(=O)O)C21			5.132000000000001	5.615			7.9			8.225	
-NC1(C(=O)O)C[S+]([O-])C2C(C(=O)O)C21			5.51				8.11			7.912000000000001	
-NC1(c2ccccc2Cl)CCCNC1=O		4.3									
-NC12CC3CC(C1)CC(c1ccccc1)(C3)C2		4.82									
-NC12CC3CC(CC(C3)C1)C2		4.982857142857143									
-NC1=NC(CC(=O)O)CS1	6.095										
-NC1=NCC(C(=O)O)CC1	6.989666666666667										
-NC1=NCC(C(=O)O)CN1	5.918666666666667										
-NC1=NCCN1c1ccccc1		5.0									
-NC1=Nc2c(cccc2)-c2c(cccc2)N1		5.0									
-NC1=Nc2c(cccc2)CN1c1ccccc1		5.0									
-NC1=Nc2c3c(cccc3ccc2)N1		5.0									
-NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1							5.95			5.97	
-NC1CC(N)(C(=O)O)C2C(C(=O)O)C12				4.98			7.006			7.247000000000001	
-NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2)cc(Cl)cc1	8.32										
-NCC(=O)Nc1c(C(=O)c2c(Cl)cccc2Cl)cc(Cl)cc1	6.0										
-NCC12CC3CC(CC(C3)C1)C2		4.48									
-NCC1COCC(c2ccccc2)(C2CCCCC2)O1		7.45									
-NCC1COCC(c2ccccc2)(c2ccccc2)O1		7.62									
-NCC1NC(=O)CNC1=O		3.432									
-NCCC12CC3CC(CC(C3)C1)C2		5.42									
-NCCCC(=O)NCC(=O)O		4.21									
-NCCCC(=O)O	5.929333333333333										
-NCCCC12CC3CC(CC(C3)C1)C2		5.0200000000000005									
-NCCCCC12CC3CC(CC(C3)C1)C2		4.76									
-NCCCCNCCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2		6.575									
-NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2		6.995									
-NCCCCNCCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2		6.935									
-NCCCCNCCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2		6.87									
-NCCCCNCCCNCCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2		6.585									
-NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2		6.75									
-NCCCCNCCCNCCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2		7.04									
-NCCCCNCCCNCCCCNC(=O)n1c2c(cccc2)c2c1cccc2		6.7									
-NCCCNCCCCNCCCN		3.899									
-NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CC1		5.59				7.96					
-NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)C1CCCCC1		6.18				7.68					
-NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2		6.1				6.98					
-NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)Cc1cccc2ccccc12		7.33				7.39					
-NCCCNCCCCNCCCNC(=O)C(CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1		5.84				7.06					
-NCCCNCCCCNCCCNC(=O)C(CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1		5.87									
-NCCCNCCCCNCCCNC(=O)C(CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1		5.99									
-NCCCNCCCCNCCCNC(=O)C(CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1		6.97									
-NCCCNCCCCNCCCNC(=O)C(CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1		5.55									
-NCCCNCCCCNCCCNC(=O)N1c2c(C=Cc3c1cccc3)cccc2		6.695									
-NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)CCc2c1cccc2		6.19									
-NCCCNCCCCNCCCNC(=O)N1c2c(cccc2)Sc2c1cccc2		6.565									
-NCCCNCCCCNCCCNC(=O)c1ccc2C(=O)c3c(cccc3)C(=O)c2c1		6.359999999999999									
-NCCCNCCCCNCCCNC(=O)n1c2c(cccc2)c2c1cccc2		6.96									
-NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O								5.82			
-NCc1c(Br)n(O)nc1	4.0										
-NCc1c(Cl)n(O)nc1	4.535										
-NCc1cc(O)no1	7.171499999999999										
-NCc1cc(O)ns1	7.72										
-NCc1cn(CC(=O)Nc2c(C(N)=O)c3c(CCCC3)s2)nc1C(F)(F)F						6.1					
-NCc1cn(O)nc1	5.144333333333333										
-NCc1cn(O)nc1-c1ccc(-c2ccccc2)cc1	3.523										
-NCc1cn(O)nc1-c1cccc(-c2ccccc2)c1	3.301										
-NCc1cn(O)nc1-c1ccccc1	3.301										
-NCc1cn(O)nc1I	3.301										
-NN1CC(N)(C(=O)O)CC1C(=O)O							5.32			4.28	
-NS(=O)(=O)c1c2c([N+](=O)[O-])cc3c(nc(O)c(O)n3)c2ccc1		4.0		4.13							
-Nc1c(-c2ccccc2)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl	5.94										
-Nc1c(C(=O)Nc2cc(Cl)c(N3C(=O)C4CCC3C4)cc2)nccc1											6.5
-Nc1c(C(=O)Nc2cc(Cl)c(N3C(=O)c4c(cccc4)C3=O)cc2)nccc1											8.52
-Nc1c(C(=O)Nc2cc(Cl)c(N3CC(Cc4ccccc4)CC3=O)cc2)nccc1											7.62
-Nc1c(C(=O)Nc2cc(Cl)c(N3CC(c4c(F)cccc4Cl)CC3=O)cc2)nccc1											7.23
-Nc1c(C(=O)Nc2cc(Cl)c(N3CC(c4cnccc4)CC3=O)cc2)nccc1											7.1
-Nc1c(C(=O)Nc2cc(Cl)c(N3CCCC3=O)cc2)nccc1											6.5
-Nc1c(C(=O)Nc2cc(Cl)c(N3CCc4c(cccc4)C3=O)cc2)nccc1											7.54
-Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cc(Cl)cc4)C3=O)cc2)nccc1											6.5
-Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)C3=O)cc2)nccc1											8.13
-Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccc4)CC3=O)cc2)nccc1											7.16
-Nc1c(C(=O)Nc2cc(Cl)c(N3Cc4c(cccn4)C3=O)cc2)nccc1											7.4
-Nc1c(C(=O)Nc2cc(Cl)ccc2)nccc1											6.235
-Nc1c(C(=O)Nc2ncccc2)nc(Cl)c(N2CCCCC2)n1					6.99						
-Nc1c(C(=O)Nc2ncccc2)nccn1					5.45						
-Nc1c(C(=O)O)cccn1	4.0										
-Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1cccc2	6.0										
-Nc1c(C(=O)c2ccc(F)cc2)oc2c1cc(Br)cn2					5.12						
-Nc1c(CC(=O)O)cccn1	4.0										
-Nc1c(Cl)nc(C(=O)Nc2ncccc2)c(N)n1					5.42						
-Nc1c(I)cc(C(=O)O)cn1	4.0										
-Nc1c(NCC(=O)O)c(=O)c1=O		5.64									
-Nc1c(NCCC(=O)O)c(=O)c1=O		5.8									
-Nc1c(NCCCC(=O)O)c(=O)c1=O		5.0									
-Nc1c(NCCCP(=O)(O)O)c(=O)c1=O		6.33									
-Nc1c([N+](=O)[O-])c2c(cc1F)nc(O)c(O)n2		4.96									
-Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1cncnc1	8.370000000000001										
-Nc1c2C(=O)N(C3CCC3)Cc2nc2c1cccc2-c1ncccn1	7.385000000000001										
-Nc1c2CCCCc2nc2c1cccc2		4.835									
-Nc1c2CN(C(=O)c3ccc(F)cc3)CCn2nc1COc1ccccc1					5.34						
-Nc1cc(-c2ccccc2)c(C(=O)O)cn1	4.0										
-Nc1cc(C(=O)O)ccn1	4.72										
-Nc1cc(C=Cc2ccccc2)nc(N)n1											4.523
-Nc1cc(CC(=O)O)ccn1	4.14										
-Nc1cc(N2CCc3c(cccc3)C2)nc(CO)c1		8.4									
-Nc1cc(N2CCc3c(cccc3)C2)nc2c1CCC2		8.05									
-Nc1cc(OCC2CN(c3ccccc3)C(=O)O2)ccc1							4.523				
-Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		6.93									
-Nc1ccc(C(=O)O)c(-c2ccccc2)n1	4.0										
-Nc1ccc(C(=O)O)c(Cl)n1	4.0										
-Nc1ccc(C(=O)O)cn1	5.375										
-Nc1ccc(C(O)P(=O)(O)CCC(N)C(=O)O)cc1			5.08						4.94		5.06
-Nc1ccc(CC(=O)O)cn1	4.05										
-Nc1ccc(OCC2CN(c3ccccc3)C(=O)O2)cc1							4.523				
-Nc1cccc(-c2c(C3CCNCC3)onc2O)c1	7.23										
-Nc1cccc(C(=O)O)n1	4.0										
-Nc1cccc(C=Cc2ccccc2)n1											5.24
-Nc1cccc(CC(=O)O)n1	4.0										
-Nc1cccc(CCC(N)(C(=O)O)C2CC2C(=O)O)c1							5.51			6.7	
-Nc1cccc(N2CCc3c(cccc3)C2)n1		6.72									
-Nc1cccnc1C(=O)Nc1cc(Cl)c(N2CC3(CCCC3)CC2=O)cc1											6.5
-Nc1cccnc1C(=O)Nc1cc(Cl)c(N2CC3(CCCCC3)CC2=O)cc1											7.39
-Nc1cccnc1N1CCc2c(cccc2)C1		6.42									
-Nc1ccnc(N2CCc3c(cccc3)C2)c1		8.52									
-Nc1cnc(N2CCc3c(cccc3)C2)cc1		5.96									
-Nc1cncc(C=Cc2ccccc2)n1											4.8
-Nc1n[nH]c(SC2CC(N)(C(=O)O)C3C(C(=O)O)C23)n1							7.81			6.817	
-Nc1n[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)n1		4.7700000000000005									
-Nc1n[nH]c(SCCN2CCC(Cc3ccccc3)CC2)n1		5.153333333333333									
-Nc1nc(C#Cc2cccc(F)c2)cs1					7.107						
-Nc1nc(C#Cc2ccccc2)ccn1											4.7
-Nc1nc(C#Cc2cnccc2)cs1					6.101						
-Nc1nc(C(F)(F)F)cc(C=Cc2ccccc2)n1											6.221
-Nc1nc(CC(=O)O)cs1	4.615										
-Nc1nc(O)cc(C=Cc2ccccc2)n1											4.523
-Nc1ncc(Br)c(C=Cc2ccccc2)n1											5.89
-Nc1ncc(Br)nc1C(=O)Nc1ccccn1					7.921						
-Nc1ncc(C(=O)O)cn1	4.0										
-Nc1ncc(C(O)P(=O)(O)CCC(N)C(=O)O)s1			4.55	4.0							4.82
-Nc1ncc(C2CC2c2ccccc2)cn1											4.523
-Nc1ncc(Cl)c(C=Cc2ccccc2)n1											5.8
-Nc1ncc(Cl)nc1C(=O)Nc1ncccc1					7.96						
-Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1						6.52					
-Nc1nccc(-c2cc3c(cccc3)o2)n1											5.31
-Nc1nccc(-c2cc3c(cccc3)s2)n1											4.523
-Nc1nccc(-c2ccc3ccccc3c2)n1											4.523
-Nc1nccc(C=Cc2ccc(F)cc2)n1											5.35
-Nc1nccc(C=Cc2cccc(F)c2)n1											5.35
-Nc1nccc(C=Cc2ccccc2)n1											6.0
-Nc1nccc(C=Cc2ccccc2F)n1											5.54
-Nc1nccc(C=Cc2ccco2)n1											5.03
-Nc1nccc(C=Cc2cccs2)n1											5.39
-Nc1nccc(C=Cc2ccncc2)n1											4.523
-Nc1nccc(C=Cc2cnccc2)n1											4.79
-Nc1nccc(C=Cc2ncccc2)n1											4.93
-Nc1nccc(CCc2ccccc2)n1											4.523
-Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1		4.796666666666667									
-Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1		4.8933333333333335									
-O=C(C#Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1					9.4						
-O=C(C#Cc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1					9.175						
-O=C(C(=O)N1CCCC(C(=O)NCc2ccccc2)C1)c1c[nH]c2ccccc12	6.116666666666667										
-O=C(C(=O)N1CCCC(C(=O)OCc2ccccc2)C1)c1c[nH]c2ccccc12	6.966666666666666										
-O=C(C(=O)N1CCCC1Cc1ccccc1)c1c[nH]c2ccccc12	6.153333333333333										
-O=C(C(=O)N1CCc2c(cccc2)C1)c1c[nH]c2ccccc12	6.243333333333333										
-O=C(C(=O)N1Cc2c(cccc2)C1)c1c[nH]c2ccccc12	6.77										
-O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1ccc(F)cc1)n2					6.822						
-O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2					8.601						
-O=C(C1CC(F)(F)C1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.747999999999999						
-O=C(C1CC(F)C1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.071000000000001						
-O=C(C1CC1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.54						
-O=C(C1CC1)N1CCCC2(CCCCC2)C1					5.0						
-O=C(C1CC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					7.1						
-O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12					6.265						
-O=C(C1CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.54						
-O=C(C1CC12CCC2)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					8.41						
-O=C(C1CC1c1cnc(N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2						6.96					
-O=C(C1CC2CCC1C2)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1					7.07						
-O=C(C1CC2CCC1C2)N1CC(c2nc(-c3cc(F)ccc3)no2)C1					7.07						
-O=C(C1CC2CCC1C2)N1CC(c2nc(-c3ccccc3)no2)C1					6.66						
-O=C(C1CC2CCC1C2)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.747999999999999						
-O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.0						
-O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1					6.17						
-O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.75						
-O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1					6.28						
-O=C(C1CCC(F)(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.158						
-O=C(C1CCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					5.82						
-O=C(C1CCC1)N1CCCC(c2nc(-c3cc(Cl)ccc3)no2)C1					6.105						
-O=C(C1CCC1)N1CCCC(c2nc(-c3cc(F)ccc3)no2)C1					5.62						
-O=C(C1CCC1)N1CCCC(c2nc(-c3cccs3)no2)C1					5.03						
-O=C(C1CCC1)N1CCCC(c2nc(-c3ncccc3)no2)C1					5.0						
-O=C(C1CCC1)N1CCCC1c1c(O)cc(-c2cccc(Cl)c2)nc1					5.64						
-O=C(C1CCC1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1					7.04						
-O=C(C1CCC1)N1CCCC1c1nc(-c2cc(Cl)ccc2)no1					5.0						
-O=C(C1CCC1)N1CCCC1c1nc(-c2cc(F)ccc2)no1					5.77						
-O=C(C1CCC1)N1CCCC1c1nc(-c2ccc(F)cc2)no1					5.57						
-O=C(C1CCC1)N1CCCC2(CCCCC2)C1			4.523		6.085	4.523	4.523		4.523	4.523	4.523
-O=C(C1CCC1)N1CCCCC1c1nc(-c2cc(Cl)ccc2)no1					6.69						
-O=C(C1CCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					6.19						
-O=C(C1CCC1)N1CCCCC1c1nc(-c2cccs2)no1					5.52						
-O=C(C1CCC1)N1CCCCC1c1nc(-c2ncccc2)no1					5.0						
-O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12					5.91						
-O=C(C1CCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.431						
-O=C(C1CCC2(CCC2)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					5.96						
-O=C(C1CCCC1)N1CCCC1c1nc(-c2cccc(F)c2)no1					6.0						
-O=C(C1CCCC1)N1CCCC2(CCCCC2)C1					5.0						
-O=C(C1CCCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					6.51						
-O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12					5.76						
-O=C(C1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.72						
-O=C(C1CCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.28						
-O=C(C1CCCCC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1					6.0						
-O=C(C1CCCCC1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.0						
-O=C(C1CCCCC1)N1CCCC2(CCCCC2)C1					4.523						
-O=C(C1CCCCC1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					5.46						
-O=C(C1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.78						
-O=C(C1CCCCO1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.497999999999999						
-O=C(C1CCCO1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.05						
-O=C(C1CCCO1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.101						
-O=C(C1CCOC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.89						
-O=C(C1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.54						
-O=C(C=CC=Cc1cc2c(cc1)OCO2)N1CCCCC1	4.28										
-O=C(C=CC=Cc1ccc2OCOc2c1)N(CC(F)(F)F)CC(F)(F)F	4.64										
-O=C(C=Cc1cc(Cl)ccc1NC(=O)c1ccccn1)c1ccccc1					5.77						
-O=C(C=Cc1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1		6.748571428571429									
-O=C(CC12CC3CC(CC(C3)C1)C2)N1CC2CN(c3ccccn3)CC2C1						5.8420000000000005					
-O=C(CC1C=NN2c3c(ccc(Cl)c3)[N+]([O-])=NC12)Oc1c(Cl)cccc1	6.31										
-O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3ccccc3)c2)nc1	9.29										
-O=C(CC1CCCC1)c1c(O)c2c(ccc(Cc3cnccc3)c2)nc1	9.06										
-O=C(CC1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.33						
-O=C(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccc(F)cc1		7.44									
-O=C(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccc(F)cc1		6.82									
-O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O								6.215			
-O=C(CCCc1ccncc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1					5.28						
-O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1		7.988571428571428									
-O=C(CCc1cc(Cl)ccc1NC(=O)c1ccccn1)c1ccccc1					5.35						
-O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1		6.51									
-O=C(CCc1ccccc1)c1ccc2nc3OCCCc3cc2c1						6.8					
-O=C(CN1CCC(Cc2ccc(N=C=S)cc2)CC1)c1ccc(O)cc1		4.3676666666666675									
-O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12		6.112									
-O=C(CNCc1ccncc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1					5.071000000000001						
-O=C(COCc1ccccc1)N1CCN(c2cc(Cl)ccn2)CC1					6.242000000000001						
-O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1					6.46						
-O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1					6.0						
-O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1					5.96						
-O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1					6.57						
-O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1					6.521						
-O=C(COCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1					5.172000000000001						
-O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1					5.15						
-O=C(COCc1ccccc1)N1CCN(c2ccccc2Cl)CC1					5.96						
-O=C(COCc1ccccc1)N1CCN(c2ccncc2)CC1					4.602						
-O=C(COCc1cccs1)N1CCN(c2ccc(Cl)cc2Cl)CC1					6.509						
-O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1					6.1						
-O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2Cl)CC1					5.18						
-O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2)CC1					6.17						
-O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2Cl)CC1					6.41						
-O=C(COCc1ccncc1)N1CCC(c2ccc(F)cc2Cl)CC1					6.431						
-O=C(COCc1ccncc1)N1CCN(c2cc(Cl)ccn2)CC1					5.38						
-O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2)CC1					5.89						
-O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1					6.747999999999999						
-O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2F)CC1					6.221						
-O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2Cl)CC1					5.94						
-O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1					5.34						
-O=C(COCc1ccncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1					5.551						
-O=C(COCc1cnccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1					5.962000000000001						
-O=C(COCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1					5.282						
-O=C(COCc1cncs1)N1CCN(c2ccc(Cl)cc2Cl)CC1					5.891						
-O=C(COCc1cscn1)N1CCN(c2ccc(Cl)cc2Cl)CC1					6.54						
-O=C(COCc1ncccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1					6.51						
-O=C(COCc1ncccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1					4.75						
-O=C(COCc1nccs1)N1CCN(c2ccc(Cl)cc2Cl)CC1					4.99						
-O=C(COc1c(Br)cccc1)c1c(O)cc(O)cc1											5.85
-O=C(COc1c(Br)cccc1)c1ccc(Cl)nc1											5.09
-O=C(COc1c(Br)cccc1)c1ncccc1											5.34
-O=C(COc1cc(Br)ccc1)c1cnc(Cl)cc1											5.112
-O=C(COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1											5.33
-O=C(COc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCOCC1											5.0
-O=C(COc1ccccc1-c1ccccc1)c1ccc(Cl)nc1											5.0
-O=C(COc1ccccc1-c1cncnc1)c1ccc(Cl)nc1											5.0
-O=C(COc1ccccc1-c1ncccc1)c1ccc(Cl)nc1											5.1
-O=C(COc1ccccc1Br)c1ccc(NCCc2cccnc2)nc1											5.0
-O=C(COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)N1CCCC1	7.1975										
-O=C(CSCc1ccccc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1					5.15						
-O=C(CSc1ccccc1)N1CCCC2(CCCCC2)C1					5.28						
-O=C(CSc1ccccc1)N1CCN(c2c(Cl)cc(Cl)cc2)CC1					4.602						
-O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1	5.18										
-O=C(Cc1cc(F)ccc1)N1CCC1c1nc(-c2cc(F)ccc2)no1					5.62						
-O=C(Cc1ccc(F)cc1)N1CCC1c1nc(-c2cc(F)ccc2)no1					5.92						
-O=C(Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1		7.65									
-O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12					6.425						
-O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1						7.852					
-O=C(Cc1ccccn1)NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1					5.0						
-O=C(Cc1cccs1)N1CCCC2(CCCCC2)C1					5.0						
-O=C(Cc1cnccc1)N1CCC2N=Cc3c(O)n(-c4ccc(Cl)cc4)nc3C2C1	8.385										
-O=C(Cc1cscc1)c1ccc2nc3OCCCc3cc2c1						7.13					
-O=C(Cn1cc(-c2ccc(F)cc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1					6.57						
-O=C(Cn1cc(Cl)c2ncc(-c3cc(F)c(F)cc3)cc21)N1CC(F)(F)C1		7.8									
-O=C(Cn1cc(Cl)c2ncc(-c3ccc(F)cc3)cc21)N1CCC1		7.6									
-O=C(Cn1cc(F)c2ncc(-c3cccc(Cl)c3)cc21)N1CC(F)C1		8.0									
-O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1c(C(=O)NC2CCNC2)c2c(CCCC2)s1						6.6					
-O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1c(CO)c2c(CCCC2)s1						6.6					
-O=C(N1CC2CCC(C2)C1)N1CC2CN(c3ccccn3)CC2C1						5.29					
-O=C(N1CC2CCCC(C2)C1)N1CC2CN(c3ccccn3)CC2C1						5.72					
-O=C(N1CC2CN(c3c(F)cccn3)CC2C1)C12CC3CC(CC(C3)C1)C2						6.0					
-O=C(N1CC2CN(c3ccc(F)cn3)CC2C1)C12CC3CC(CC(C3)C1)C2						6.32					
-O=C(N1CC2CN(c3cccc(F)n3)CC2C1)C12CC3CC(CC(C3)C1)C2						7.031000000000001					
-O=C(N1CC2CN(c3ccccn3)CC2C1)C12CC3CC(CC(C3)C1)C2					5.472	7.07					
-O=C(N1CC2CN(c3ccccn3)CC2C1)N1CCC2(CCCC2)C1					5.0	6.53					
-O=C(N1CC2CN(c3cnccn3)CC2C1)C12CC3CC(CC(C3)C1)C2						6.172000000000001					
-O=C(N1CCC(F)(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.141						
-O=C(N1CCC(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.0						
-O=C(N1CCC(F)CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.13						
-O=C(N1CCC2(CCCC2)CC1)N1CC2CN(c3ccccn3)CC2C1						6.111000000000001					
-O=C(N1CCC2(CCCCC2)CC1)N1CC2CN(c3ccccn3)CC2C1						6.44					
-O=C(N1CCCC(F)C1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.7						
-O=C(N1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					8.01						
-O=C(N1CCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.43						
-O=C(N1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.122999999999999						
-O=C(N1CCCCCC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					7.33						
-O=C(N1CCN(c2ccccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2					4.523						
-O=C(N1CCN(c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2					5.0						
-O=C(N1CCN(c2ccncc2)CC1)C12CC3CC(CC(C3)C1)C2					4.523						
-O=C(N1CCN(c2ncccc2)CC1)C12CC3CC(CC(C3)C1)C2					6.0						
-O=C(N1CCN(c2nccs2)CC1)C12CC3CC(CC(C3)C1)C2			4.523		6.315	6.2	4.523		4.523	4.523	4.523
-O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21	9.18										
-O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21	9.335										
-O=C(N1CCOCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21	8.983333333333333										
-O=C(N1CCc2c(C1)sc(C#Cc1ccccc1)n2)N1CC(F)(F)C1					7.58						
-O=C(N1CCc2c(C1)sc(C#Cc1ccccc1)n2)N1CCC(F)(F)C1					7.28						
-O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.26										
-O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.67										
-O=C(NC12CC3CC(CC(C#Cc4ccccn4)(C3)C1)C2)c1cnccn1					8.33						
-O=C(NC12CC3CC(CC(C#Cc4cnccn4)(C3)C1)C2)c1cc(F)cnc1					7.52						
-O=C(NC12CCCC(C#Cc3cc(F)ccc3)(CC1)C2)c1cnccn1					8.72						
-O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ccc(F)cn1					7.71						
-O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ccccn1					8.26						
-O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1cnccn1					8.18						
-O=C(NC12CCCC(C#Cc3ccccn3)(CC1)C2)c1ncccc1F					7.96						
-O=C(NC12CCCC(C#Cc3cnccn3)(CC1)C2)c1cc(Cl)ccc1					7.04						
-O=C(NC12CCCC(C#Cc3ncccc3F)(CC1)C2)c1cnccn1					8.03						
-O=C(NC1=NC(=O)C2CCCN12)Nc1ccc(Cl)cc1					5.0						
-O=C(NC1=NC(=O)C2CCCN12)Nc1cccc(Cl)c1					6.1						
-O=C(NC1=NC(=O)C2CCCN12)Nc1ccccc1					5.38						
-O=C(NC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.42										
-O=C(NC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.62										
-O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.91										
-O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.89										
-O=C(NC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1	7.72										
-O=C(NC1CC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1	7.87										
-O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1					7.8						
-O=C(NC1CCCC(C(=O)Nc2cc(Cl)ccc2)C1)c1ncccc1					6.33						
-O=C(NC1CCCC(C(=O)Nc2ccccn2)C1)c1cc(Cl)ccc1					5.3						
-O=C(NC1CCCC(NC(=O)C2CCCCC2)C1)c1cc(Cl)ccc1					6.07						
-O=C(NC1CCCC(NC(=O)c2c(F)cccc2)C1)c1cc(Cl)ccc1					6.44						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cc(Cl)ccc1					6.86						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cc(F)ccc1					6.5						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccc(F)cc1					6.577000000000001						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccccc1					6.484						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1ccncc1					6.464						
-O=C(NC1CCCC(NC(=O)c2cc(Cl)ccc2)C1)c1cnccc1					6.212000000000001						
-O=C(NC1CCCC(NC(=O)c2cc(F)ccc2)C1)c1cc(F)ccc1					6.23						
-O=C(NC1CCCC(NC(=O)c2ccccn2)C1)c1cc(Cl)ccc1					6.424						
-O=C(NC1CCCC(NC(=O)c2ncccc2)C1)c1ccccn1					5.94						
-O=C(NC1CCCC(NC(=O)c2ncccn2)C1)c1cc(Cl)ccc1					6.053999999999999						
-O=C(NC1CCCC(NC(=O)c2nccnc2)C1)c1cc(Cl)ccc1					5.862						
-O=C(NC1CCCC1)c1ccc(C#Cc2ccccc2)nc1					6.837999999999999						
-O=C(NC1CCCC1)c1ccc(C#Cc2ncccc2)nc1					6.135						
-O=C(NC1CCCC1O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.1										
-O=C(NC1CCCC1O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.7										
-O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1ccccn1					6.744						
-O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1cccnc1					5.0						
-O=C(NC1CCCC2(CN=C(c3cc(Cl)ccc3)O2)C1)c1ccncc1					5.0						
-O=C(NC1CCCCC1)c1ccc(C#Cc2ccccc2)nc1					6.62						
-O=C(NC1CCCCC1)c1ccc(Nc2ccc(Cl)cc2)nc1					5.0						
-O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1					4.523						
-O=C(NC1CCOCC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.9										
-O=C(NC1CCOCC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.66										
-O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	8.19										
-O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.97										
-O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccc2)nc1	7.75										
-O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccccn2)nc1	7.75										
-O=C(NC1CCOCC1)c1ccc(OCc2conc2C2CCC(F)CN2)nc1	8.1										
-O=C(NC1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.71										
-O=C(NCC(F)(F)F)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.24										
-O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.82										
-O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.82										
-O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccccn2)nc1	8.1										
-O=C(NCC(O)C(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.88										
-O=C(NCC1(O)CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.64										
-O=C(NCC1CC1)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.0
-O=C(NCC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.65										
-O=C(NCC1CC1)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.55										
-O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.76										
-O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1	7.72										
-O=C(NCCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.99										
-O=C(NCCCOP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)c1cccc2ccccc12								5.94			
-O=C(NCCO)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1	7.78										
-O=C(NCCO)c1ccc(OCc2c(C(F)(F)F)onc2-c2ccccc2)nc1	7.47										
-O=C(NCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1	7.96										
-O=C(NCCO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1	7.63										
-O=C(NCCO)c1ccc(OCc2conc2-c2ccccn2)nc1	7.7										
-O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NS(=O)(=O)c1ccccc1		7.14									
-O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1		7.85									
-O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1		6.92									
-O=C(NCc1c(Cl)cccc1)C(=O)c1c[nH]c2ccccc12	5.59										
-O=C(NCc1c(F)cccc1)C(=O)c1c[nH]c2ccccc12	6.18										
-O=C(NCc1cc(Cl)ccc1)C(=O)c1c[nH]c2ccccc12	6.8										
-O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12	6.739999999999999										
-O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	7.32										
-O=C(NCc1cc(O)c(O)cc1)C(=O)c1c[nH]c2ccccc12	6.46										
-O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc(Cl)cc12	6.239999999999999										
-O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	7.19										
-O=C(NCc1cc(O)ccc1)C(=O)c1c[nH]c2ccccc12	6.09										
-O=C(NCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12	7.169999999999999										
-O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12	7.28										
-O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12	6.82										
-O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	7.919999999999999										
-O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12	6.37										
-O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12	6.31										
-O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	6.93										
-O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12	6.919999999999999										
-O=C(NCc1ccccc1)N1CCC(CNc2ncccn2)CC1		5.931									
-O=C(NCc1ccco1)c1cnc(C#Cc2ccccc2)cc1					6.747999999999999						
-O=C(NCc1cscc1)c1ccc(C#Cc2ccccc2)cc1					5.921						
-O=C(NCc1cscc1)c1cnc(C#Cc2ccccc2)cc1					6.852						
-O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)c(F)cc2)cc1)c1ccccc1		5.6745									
-O=C(NS(=O)(=O)c1ccccc1)c1nc2c(cc(Cl)c(Cl)c2)nc1O		6.92									
-O=C(Nc1c(F)cc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncccc1											5.96
-O=C(Nc1c(O)ccc(Cl)c1)c1noc2c1CCC2					6.43						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1c(Cl)cccc1					5.601						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1c(O)cccc1					5.0						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(Cl)ccc1					7.4						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)c(F)cc1					8.0						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(F)ccc1					7.7						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1					7.72						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1					7.7						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1					7.521						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1					7.4						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1F					7.122999999999999						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccs1					6.7						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cscc1					5.747999999999999						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ncccc1					6.54						
-O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1nccnc1					6.7						
-O=C(Nc1cc(Br)ccc1)c1cccc2c1nc(O)o2					7.14						
-O=C(Nc1cc(Br)ccc1)c1nc(Br)cs1					6.56						
-O=C(Nc1cc(C(F)(F)F)c(Cl)cc1)c1ccccn1											5.68
-O=C(Nc1cc(C(F)(F)F)c(F)cc1)c1ccccn1											5.822
-O=C(Nc1cc(C(F)(F)F)c(NC(=O)c2ccccc2Cl)cc1)c1ncccc1											5.68
-O=C(Nc1cc(C(F)(F)F)ccc1)c1cccc2c1nc(O)o2					6.31						
-O=C(Nc1cc(C(F)(F)F)ccc1)c1ccccn1											11.73
-O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1					5.97						
-O=C(Nc1cc(Cl)c(Cl)cc1)C1CCCCC1											5.0
-O=C(Nc1cc(Cl)c(Cl)cc1)c1cc2c(cccc2)o1											5.0
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ccc(-c2ccccc2)o1											5.0
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ccc(Br)o1											5.39
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ccccc1											5.0
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ccco1											5.343
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ccncn1											5.551
-O=C(Nc1cc(Cl)c(Cl)cc1)c1ncccc1											5.857
-O=C(Nc1cc(Cl)c(Cl)cc1)c1nccnc1											5.0
-O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ccccn1											6.52
-O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)c1ncccc1						6.54					
-O=C(Nc1cc(Cl)c(N2C(=O)C3C4C=CC(CC4)C3C2=O)cc1)c1ncccc1											6.527
-O=C(Nc1cc(Cl)c(N2C(=O)CC(c3ccccc3)C2=O)cc1)c1ccccn1											6.171
-O=C(Nc1cc(Cl)c(N2C(=O)CCC2=O)cc1)c1ncccc1											5.2170000000000005
-O=C(Nc1cc(Cl)c(N2C(=O)c3c(C2=O)c(Cl)ccc3)cc1)c1ncccc1											7.38
-O=C(Nc1cc(Cl)c(N2C(=O)c3c(cccc3)C2=O)cc1)c1c(O)cccn1											6.9
-O=C(Nc1cc(Cl)c(N2C(=O)c3c(cccc3)C2=O)cc1)c1ncccc1											7.23
-O=C(Nc1cc(Cl)c(N2Cc3c(C2=O)c(Cl)ccc3)cc1)c1c(Cl)cccn1						5.0					
-O=C(Nc1cc(Cl)c(N2Cc3c(cccc3)C2=O)cc1)c1c(Cl)cccn1						5.0					
-O=C(Nc1cc(Cl)c(N2Cc3c(cccc3Cl)C2=O)cc1)c1c(Cl)cccn1						5.895					
-O=C(Nc1cc(Cl)c(NC(=O)C2CCCCC2)cc1)c1ncccc1											6.37
-O=C(Nc1cc(Cl)c(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ccccn1											7.702000000000001
-O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCCC1c1n[nH]nn1											5.0
-O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc2c1nc(O)o2					5.0						
-O=C(Nc1cc(Cl)ccc1)c1cc(Oc2cccnc2)ccn1					6.41						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1[nH]cc2					5.41						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc(O)[nH]2					5.41						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc(O)o2					6.94						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1nc[nH]2					5.0						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1nn[nH]2					5.0						
-O=C(Nc1cc(Cl)ccc1)c1cccc2c1oc(O)n2					5.0						
-O=C(Nc1cc(Cl)ccc1)c1ccccn1				5.903							8.033999999999999
-O=C(Nc1cc(Cl)ccc1)c1ccco1											5.301
-O=C(Nc1cc(Cl)ccc1)c1noc2c1CCC2					7.2						
-O=C(Nc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1					6.89						
-O=C(Nc1cc(Cl)ncc1)c1c2CSc3c(ccc(F)c3Cl)-n2nn1					9.1						
-O=C(Nc1cc(F)ccn1)c1cc(Cl)cc(Oc2cncnc2)c1					7.72						
-O=C(Nc1cc(F)ccn1)c1cc(Oc2cncnc2)ccn1					6.7						
-O=C(Nc1cc(OC(F)(F)F)ccc1)c1ccccn1											5.365
-O=C(Nc1cc(OC(F)F)ccc1)c1ccccn1											8.89
-O=C(Nc1cc(OC(F)F)ccc1)c1nc(F)ccc1											8.175
-O=C(Nc1cc(OCF)c(Cl)cc1)c1ncccc1			4.523	4.523	4.523	4.523	4.523				8.49
-O=C(Nc1cc(OCF)ccc1)c1ncccc1											8.43
-O=C(Nc1cc(Oc2ccc(C(F)(F)F)nc2)ccn1)c1cccc(Cl)c1					6.09						
-O=C(Nc1cc(Oc2cccnc2)ccn1)c1cc(Cl)ccc1					6.24						
-O=C(Nc1cc(Oc2cccnc2)ncn1)c1cc(Cl)ccc1					5.99						
-O=C(Nc1cc(Oc2cncnc2)ccn1)c1cc(Br)ccc1					6.04						
-O=C(Nc1cc(Oc2cncnc2)ccn1)c1cc(Cl)ccc1					6.1						
-O=C(Nc1cc2c(cc[nH]2)cc1)c1c(O)c2c(cccc2)nc1	7.0										
-O=C(Nc1cc2n[nH]cc2cc1)c1ccccn1											5.863
-O=C(Nc1ccc(Br)cc1CN1C(=O)c2c(cc(F)cc2)C1=O)c1ccccn1					6.031000000000001						
-O=C(Nc1ccc(Br)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccc1					6.127000000000001						
-O=C(Nc1ccc(CS(=O)(=O)c2c(Cl)cccc2)cc1)c1ccccn1											5.662000000000001
-O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccn1											6.14
-O=C(Nc1ccc(Cl)cc1)C12CC1C(=NO)c1c(cccc1)O2							6.05			4.87	
-O=C(Nc1ccc(Cl)cc1)c1cccc2c1nc(O)o2					5.42						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cc(F)cc2)C1=O)c1ccccn1					6.481						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)C1CCCCC1					5.822						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1					4.0						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1C(F)(F)F					5.242000000000001						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1O					6.691						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccc1[N+](=O)[O-]					5.242000000000001						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1					6.605						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cccnc1					4.46						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cccnn1					4.0						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccco1					5.64						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1cncs1					5.72						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccc1O					6.58						
-O=C(Nc1ccc(Cl)cc1CN1C(=O)c2c(cccc2)C1=O)c1ncccn1					5.68						
-O=C(Nc1ccc(F)cc1)C12CC1C(=NO)c1c(cccc1)O2							5.18				
-O=C(Nc1ccc(F)cc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1					5.822						
-O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Oc2cncnc2)c1					7.82						
-O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)ccn1					6.44						
-O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c(Cl)c1)c1ccccn1				5.601							
-O=C(Nc1ccc(N2C(=O)C3C4CCC(O4)C3C2=O)c(Cl)c1)c1ccccn1											5.872999999999999
-O=C(Nc1ccc(N2C(=O)C3CCCCC3C2=O)c(Cl)c1)c1ccccn1											6.479
-O=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1											6.806
-O=C(Nc1ccc(N2C(=O)c3c(C2=O)c(Cl)ccc3)c(Cl)c1)c1ncccc1Cl						6.41					5.0
-O=C(Nc1ccc(N2C(=O)c3c(C2=O)c(F)ccc3)c(Cl)c1)c1ncccc1											7.37
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)C1CCCO1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c(-c2ccccc2)cco1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]cn1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]nc1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1c[nH]nn1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cc2c(cccc2)o1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(-c2ccccc2)o1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(Br)o1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(C(F)(F)F)o1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc(Cl)o1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccc[nH]1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccco1						6.26					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cccs1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ccno1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cnco1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cncs1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1coc2ccccc12						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cocn1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1cscn1						5.35					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1csnn1						5.0					
-O=C(Nc1ccc(N2C(=O)c3c(cccc3)C2=O)c(Cl)c1)c1ncco1						5.0					
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)C1CCCCC1											6.12
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cccc(F)n1											5.747999999999999
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ccccc1											6.4
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ccco1											6.65
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1cscn1											6.982
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncccc1											6.87
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1nccs1											6.4510000000000005
-O=C(Nc1ccc(N2S(=O)(=O)c3c(cccc3)S2(=O)=O)cc1)c1ncncc1											6.75
-O=C(Nc1ccc(NC(=O)c2ccc(F)cc2Cl)c(Cl)c1)c1ccccn1											6.941
-O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1)c1ncccc1											6.29
-O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1)c1ncccc1											6.25
-O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ncccc1											5.792999999999999
-O=C(Nc1ccc(NC(=O)c2ccccc2F)c(Cl)c1)c1ncccc1											5.622000000000001
-O=C(Nc1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1											6.441
-O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccn1											5.982
-O=C(Nc1ccc(NC(=O)c2cncs2)c(Cl)c1)c1ccccn1											5.6610000000000005
-O=C(Nc1ccc(NC(=O)c2ncccc2)cc1Cl)c1cc(Cl)cc(Cl)c1											5.67
-O=C(Nc1ccc(NC(=O)c2nccs2)c(Cl)c1)c1ccccn1											6.393
-O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1		7.758571428571429									
-O=C(Nc1ccc(Oc2ncc(Cl)cc2)c(Cl)c1)c1ncccc1											6.97
-O=C(Nc1ccc(S(=O)(=O)Cc2ccccc2Cl)cc1)c1ccccn1											6.622999999999999
-O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1											5.0
-O=C(Nc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccccn1											5.301
-O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccn1											5.99
-O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccccn1											5.301
-O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ccccn1											7.18
-O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1cscc1											6.57
-O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2)cc1)c1ncncc1											6.321000000000001
-O=C(Nc1ccc(S(=O)(=O)Nc2c(F)ccc(F)c2)cc1)c1ccccn1											6.49
-O=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2)cc1)c1ccccn1											6.69
-O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccn1											6.751
-O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(F)n1											6.912000000000001
-O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1nccs1											7.111000000000001
-O=C(Nc1ccc2C(=O)NC(=O)c2c1)c1ccccn1											5.417999999999999
-O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1		8.338									
-O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Cc2ccccc2)CC1		8.354285714285714									
-O=C(Nc1ccc2[nH]c(O)nc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1		7.671428571428572									
-O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn-21)C1CC1	7.8										
-O=C(Nc1ccc2c(c1)ccn2C(=O)c1ccc(F)cc1Cl)c1ncccc1											5.85
-O=C(Nc1ccc2cc[nH]c2c1)c1ccccn1											5.0
-O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1		8.180000000000001									
-O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1		8.168571428571429									
-O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1		7.507142857142858									
-O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1		6.08									
-O=C(Nc1ccc2nc(O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1		7.8100000000000005									
-O=C(Nc1cccc(Cl)n1)c1cc(Cl)cc(Oc2cncnc2)c1					8.09						
-O=C(Nc1cccc(Cl)n1)c1cc(Cl)ccc1					4.9						
-O=C(Nc1cccc(F)c1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1					4.0						
-O=C(Nc1cccc(Oc2cccnc2)n1)c1cc(Cl)ccc1					6.84						
-O=C(Nc1cccc(Oc2cncnc2)n1)c1cc(Cl)ccc1					7.115						
-O=C(Nc1ccccc1)C12CC1C(=NO)c1c(cccc1)O2						5.52					5.4910000000000005
-O=C(Nc1ccccc1)OCc1cn2ncnc2s1					4.5						
-O=C(Nc1ccccc1)c1cccc2c1nc(O)o2					5.66						
-O=C(Nc1ccccc1CN1C(=O)c2c(cccc2)C1=O)c1ccccn1					4.86						
-O=C(Nc1ccccc1Cl)c1cccc2c1nc(O)o2					5.0						
-O=C(Nc1ccccn1)C12CC1C(=NO)c1c(cccc1)O2			4.523	4.523	4.523	4.523	4.523		4.523	4.523	6.42
-O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1					7.08						
-O=C(Nc1ccccn1)c1cccc2c1nc(O)o2					6.6						
-O=C(Nc1ccccn1)c1nccc2c1[nH]cc2					6.62						
-O=C(Nc1ccnc(Oc2cccnc2)c1)c1cc(Br)ccc1					5.0						
-O=C(Nc1ccnc(Oc2cccnc2)c1)c1cc(Cl)ccc1					5.95						
-O=C(Nc1ccnc(Oc2cncnc2)c1)c1cc(Br)ccc1					5.0						
-O=C(Nc1ccnc(Oc2cncnc2)c1)c1cc(Cl)ccc1					5.0						
-O=C(Nc1cn(S(=O)(=O)C(F)c2ccccc2F)cc1)c1ccccn1											5.99
-O=C(Nc1cn(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1)c1ccccn1											6.725
-O=C(Nc1cn(S(=O)(=O)Cc2ccc(Cl)cc2)cc1)c1ccccn1											6.4
-O=C(Nc1cn(S(=O)(=O)Cc2ccc(F)cc2Cl)cc1)c1ccccn1											7.075
-O=C(Nc1cn(S(=O)(=O)Cc2ccc(F)cc2F)cc1)c1ccccn1											6.72
-O=C(Nc1cn(S(=O)(=O)Cc2cccc(F)c2)cc1)c1ccccn1											6.24
-O=C(Nc1cn(S(=O)(=O)Cc2ccccc2Cl)cc1)c1ccccn1											6.76
-O=C(Nc1cn(S(=O)(=O)Cc2ccccc2F)cc1)c1ccccn1											6.6
-O=C(Nc1cn(S(=O)(=O)c2c(Cl)cc(F)c(F)c2)nc1)c1ccccn1											5.93
-O=C(Nc1cn(S(=O)(=O)c2c(F)cc(F)c(F)c2)nc1)c1ccccn1											5.75
-O=C(Nc1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)nc1)c1ccccn1											6.71
-O=C(Nc1cn(S(=O)(=O)c2cc(Cl)ccc2F)nc1)c1ccccn1											5.65
-O=C(Nc1cn(S(=O)(=O)c2cc(F)c(F)c(F)c2)nc1)c1ccccn1											6.63
-O=C(Nc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccn1											6.13
-O=C(Nc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1)c1ccccn1											6.62
-O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1)c1ccccn1											6.69
-O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)c(F)c2)nc1)c1ccccn1											5.41
-O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccn1											5.91
-O=C(Nc1cn(S(=O)(=O)c2ccc(Cl)cc2F)nc1)c1ccccn1											6.89
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(Cl)c2)nc1)c1ccccn1											6.86
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2)nc1)c1ccccn1											5.76
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2)nc1)c1nccs1											5.38
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)c(F)c2F)nc1)c1ccccn1											6.55
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccn1											6.13
-O=C(Nc1cn(S(=O)(=O)c2ccc(F)cc2F)nc1)c1ccccn1											5.79
-O=C(Nc1cn(S(=O)(=O)c2cccc(Cl)c2F)nc1)c1ccccn1											5.28
-O=C(Nc1cn(S(=O)(=O)c2cnc(Cl)cc2)cc1)c1ccccn1											6.36
-O=C(Nc1cn(S(=O)(=O)c2ncc(Cl)cc2)cc1)c1ccccn1											6.46
-O=C(Nc1cncc(Oc2cccnc2)c1)c1cc(Br)ccc1					6.85						
-O=C(Nc1cncc(Oc2cccnc2)c1)c1cc(Cl)ccc1					6.595						
-O=C(Nc1cncc(Oc2cccnc2)n1)c1cc(Cl)ccc1					7.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccc1					6.67						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Br)ccn1					6.94						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1					6.225						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccc1F					6.03						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)ccn1					6.99						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(Cl)cnc1					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1F					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccn1					5.14						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1ccc(F)cn1					4.523						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1ccccn1					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1					4.523						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(C(F)(F)F)ccc1					4.523						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(Cl)ccc1					5.0						
-O=C(Nc1cncc(Oc2cncnc2)c1)c1nc(F)ccc1					4.523						
-O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Cl)ccc1					6.98						
-O=C(Nc1cncc(Oc2cncnc2)n1)c1nccc(Cl)c1					7.07						
-O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1						6.01					
-O=C(Nc1nc(C#Cc2cnccc2)cs1)Nc1ccc(F)cc1F					5.0						
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											5.97
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1											6.3
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1											6.74
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccc(F)cc2F)s1)c1ccccn1											5.76
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1											6.57
-O=C(Nc1nc(C(F)(F)F)c(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1											6.4
-O=C(Nc1nc(C(F)(F)F)co1)C1c2ccccc2Oc2c1cccc2						6.73					
-O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)cc(Oc2cncnc2)c1					5.29						
-O=C(Nc1nc(C(F)(F)F)cs1)c1ccccn1											5.0
-O=C(Nc1nc(C(F)F)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											6.17
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											5.0
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1											5.0
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1											5.89
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccc(F)cc2F)s1)c1ccccn1											5.98
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1											5.53
-O=C(Nc1nc(C2CC2)c(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1											6.6
-O=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											6.33
-O=C(Nc1nc(CO)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											5.05
-O=C(Nc1nc(Cl)ccc1)c1cc(Oc2cncnc2)ccn1					6.61						
-O=C(Nc1nc(F)ccc1)c1cc(Cl)cc(Oc2cncnc2)c1					8.03						
-O=C(Nc1nc(F)ccc1)c1cc(Oc2cncnc2)ccn1					6.79						
-O=C(Nc1nc(Oc2ccc(C(F)(F)F)nc2)ccc1)c1cccc(Cl)c1					4.523						
-O=C(Nc1nc(Oc2ccc(C(F)(F)F)nc2)cnc1)c1cccc(Cl)c1					4.523						
-O=C(Nc1nc2c(cccc2)s1)C1c2ccccc2Oc2c1cccc2						5.32					
-O=C(Nc1ncc(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1											6.77
-O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1)c1ccccn1											7.3
-O=C(Nc1ncc(S(=O)(=O)Cc2ccc(Cl)cc2F)s1)c1ccccn1											7.08
-O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2Cl)s1)c1ccccn1											6.72
-O=C(Nc1ncc(S(=O)(=O)Cc2ccccc2F)s1)c1ccccn1											6.4
-O=C(Nc1ncc(SCc2ccc(Cl)cc2Cl)s1)c1ccccn1											5.3
-O=C(Nc1ncc(SCc2ccc(Cl)cc2F)s1)c1ccccn1											5.08
-O=C(Nc1ncc(SCc2ccccc2)s1)c1ccccn1											5.3
-O=C(Nc1nccc(Oc2cccnc2)n1)c1cc(Cl)ccc1					5.0						
-O=C(Nc1ncccc1)C1c2ccccc2Oc2c1cccc2						5.77					
-O=C(Nc1ncccc1)c1nc(Cl)cnc1					6.59						
-O=C(Nc1ncccc1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	6.6775										
-O=C(Nc1nccs1)C1c2ccccc2Oc2c1cccc2						5.85					
-O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2)s1)c1ccccn1											5.0
-O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccccn1											5.0
-O=C(O)C1=CCNCC1	5.486999999999999										
-O=C(O)C1CC(CP(=O)(O)O)CCN1		6.535000000000001									
-O=C(O)C1CC(Cc2n[nH]nn2)CCN1		6.175									
-O=C(O)C1CC2CC(CCC3=NN=NC3)CCC2CN1		4.75									
-O=C(O)C1CC2CC(CCc3n[nH]nn3)CCC2CN1		4.92									
-O=C(O)C1CC=CCC1C(=O)Nc1cc(Cl)cc(Cl)c1											5.57
-O=C(O)C1CCCCC1C(=O)Nc1cc(Cl)cc(Cl)c1											6.127000000000001
-O=C(O)C1CCCCC1C(=O)Nc1cc(F)cc(Cl)c1											5.7
-O=C(O)C1CCCCC1C(=O)Nc1ccccc1											5.0
-O=C(O)C1CCNCC1	5.250333333333334										
-O=C(O)C1CN(CCCCc2n[nH]nn2)CCN1		5.0									
-O=C(O)C1CN(CCCP(=O)(O)O)CCN1		6.61									
-O=C(O)C1CN(CCCc2n[nH]nn2)CCN1		5.1450000000000005									
-O=C(O)C1CN(CCc2n[nH]nn2)CCN1		5.72									
-O=C(O)C1CN(Cc2n[nH]nn2)CCN1		5.435									
-O=C(O)C1CN=CNC1	5.285										
-O=C(O)C1OC(Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2)C(O)C(O)C1O	4.11										
-O=C(O)CC1CCNC1	5.110666666666667										
-O=C(O)CC1CNC1C(=O)O					3.979	3.678					
-O=C(O)CCC(CC(=O)CC(CCC(=O)O)C(=O)O)C(=O)O										3.523	
-O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O										4.383	
-O=C(O)CCCN=C(c1ccc(Cl)cc1)c1c(O)ccc(F)c1	6.169999999999999										
-O=C(O)Cc1c2nc(O)c(O)nc2ccc1		6.6									
-O=C(O)Cc1c[nH]cn1	3.907										
-O=C(O)c1c(CN2CC(=O)N(C3CCCCC3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		6.89									
-O=C(O)c1c(CN2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		7.1									
-O=C(O)c1c(CN2CC(=O)N(c3cc(Cl)ccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		7.07									
-O=C(O)c1c(CN2CC(=O)N(c3ccc(Cl)cc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		6.92									
-O=C(O)c1c(CN2CC(=O)N(c3ccc(F)cc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		7.28									
-O=C(O)c1c(CN2CC(=O)N(c3ccccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		7.66									
-O=C(O)c1c(CN2CC(=O)N(c3ccccc3)C2=S)c2c(cc(Cl)cc2Cl)[nH]1		6.24									
-O=C(O)c1c(CN2CCN(c3ccccc3)C2=O)c2c(cc(Cl)cc2Cl)[nH]1		7.24									
-O=C(O)c1c(CNCc2ccccc2)c2c(cc(Cl)cc2Cl)[nH]1		4.04									
-O=C(O)c1c(CNS(=O)(=O)c2ccccc2)c2c(cc(Cl)cc2Cl)[nH]1		6.0									
-O=C(O)c1c(O)cc2c(O)cccc2c1		4.965									
-O=C(O)c1cc(S)c2ccc(Cl)cc2n1		5.3									
-O=C(O)c1cc2c(cc(Cl)cc2Cl)[nH]1		5.54									
-O=C(O)c1cc2c(ccc(Br)c2)oc1=O		4.0798000000000005									
-O=C(O)c1ccc(Nc2ncc3CN=C(c4c(F)cccc4F)c4c(ccc(Cl)c4)-c3n2)cc1	6.48										
-O=C(O)c1ccccc1					5.0						
-O=C(O)c1cn(-c2c(Cl)cc(Cl)cc2)c(-c2ccc(Cl)cc2)n1	5.06										
-O=C(O)c1cncnc1	4.0										
-O=C(O)c1nc2c(c(O)c1)c(Cl)cc(Cl)c2		7.17									
-O=C(O)c1nc2c(cc(Cl)c(Cl)c2)nc1O		6.339999999999999									
-O=C(O)c1nc2c(cccc2)c(O)c1		4.82									
-O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1	6.286666666666666										
-O=C(OC(C(F)(F)F)C(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1	7.006666666666667										
-O=C(OC1Cc2c(cccc2)C1)N1CCC(CNc2ncccn2)CC1		7.64									
-O=C(OCC(Cl)(Cl)Cl)c1ncc2[nH]c3c(cccc3)c2c1	6.878333333333334										
-O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccccc4)c3)-n2cn1	6.539999999999999										
-O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(-c4ccco4)c3)-n2cn1	7.43										
-O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(ccc(Br)c3)-n2cn1	6.637333333333333										
-O=C(OCC(F)(F)F)c1c2C3CCCN3C(=O)c3c(cccc3)-n2cn1	7.359333333333333										
-O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccccc4)cc3)c2c1	6.546666666666667										
-O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4ccco4)cc3)c2c1	6.578333333333333										
-O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(-c4cccs4)cc3)c2c1	6.803333333333334										
-O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cc(I)cc3)c2c1	6.798333333333333										
-O=C(OCC(F)(F)F)c1ncc2[nH]c3c(cccc3)c2c1	7.0683333333333325										
-O=C(OCC1CCOC1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	6.169999999999999										
-O=C(OCCc1ccccc1)N1CCC(CNc2ncccn2)CC1		6.642									
-O=C(OCc1cc(F)ccc1)N1CCC(CNc2ncccn2)CC1		6.822									
-O=C(OCc1ccc(F)cc1)N1CCC(CNc2ncccn2)CC1		7.747999999999999									
-O=C(OCc1ccccc1)N1CC=C(C#Cc2ccccn2)CC1					7.921						
-O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1		6.6925									
-O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1		7.122999999999999									
-O=C(OCc1ccccc1)N1CCC(CNc2cnccc2)CC1		6.747999999999999									
-O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1		7.852									
-O=C(OCc1ccccc1)N1CCC(CNc2ncccc2)CC1		7.431									
-O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1		7.64									
-O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1		6.912000000000001									
-O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1		6.72									
-O=C(OCc1ccccc1)N1CCC(Cc2nc3c(cccc3)[nH]2)CC1		6.66									
-O=C(OCc1ccccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.666666666666667										
-O=C(OCc1ccccc1F)N1CCC(CNc2ncccn2)CC1		7.747999999999999									
-O=C(OCc1ccco1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	7.61										
-O=C(OCc1cccs1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	8.17										
-O=C(OCc1cccs1)c1c2nnc3c(cc(Cl)cc3)n2nc1	8.2										
-O=C(OCc1ccncc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	7.36										
-O=C(OCc1cocc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	7.94										
-O=C(OCc1cscc1)c1c2n[n+]([O-])c3c(cc(Cl)cc3)n2nc1	7.88										
-O=C(Oc1c(F)cc(F)c(F)c1)c1ncc2[nH]c3c(cccc3)c2c1	6.53										
-O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1			5.0		7.367000000000001	5.0	5.0				
-O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCCC1											6.3
-O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCCCC1											6.72
-O=C(Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1)N1CCOCC1											6.05
-O=C(Oc1ccccc1)N1CC=C(C#Cc2ncccc2)CC1					7.46						
-O=C(c1c(F)c(F)ccc1)N1CCn2nc(COc3ccccc3)cc2C1					6.39						
-O=C(c1c(F)cc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.0						
-O=C(c1c(F)cc(F)cc1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					5.54						
-O=C(c1c(F)cccc1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1					6.17						
-O=C(c1c(F)cccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.675										
-O=C(c1c(F)cccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.24						
-O=C(c1c(F)cccc1F)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.46						
-O=C(c1c(F)cccc1F)N1CCn2nc(COc3ccccc3)cc2C1					6.54						
-O=C(c1c2Cn3nccc3-c3c(cccc3)-n2cn1)C1CC1	9.0										
-O=C(c1c2ccccc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2					6.535						
-O=C(c1c2cccnc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2					6.26						
-O=C(c1c2cnccc2n[nH]1)N1CCc2c(C1)oc(COc1ccccc1)n2					5.85						
-O=C(c1c[nH]c2ccccc12)N1CCc2c(C1)oc(COc1ccccc1)n2					6.635						
-O=C(c1cc(C(F)(F)F)ccc1)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											5.41
-O=C(c1cc(Cl)cc(F)c1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.42						
-O=C(c1cc(Cl)ccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.3						
-O=C(c1cc(F)c(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	6.66										
-O=C(c1cc(F)cc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1					7.12						
-O=C(c1cc(F)cc(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.82						
-O=C(c1cc(F)cc(F)c1)N1CCn2nc(COc3ccccc3)cc2C1					7.1						
-O=C(c1cc(F)ccc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	7.2325										
-O=C(c1cc(F)ccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.2						
-O=C(c1cc(F)ccc1)N1CCn2nc(COc3ccccc3)cc2C1					6.77						
-O=C(c1cc2c([nH]1)c(O)cc(O)c2)N1CCC(Cc2ccccc2)CC1		7.014285714285714									
-O=C(c1cc2c([nH]1)c(O)ccc2)N1CCC(Cc2ccccc2)CC1		6.518571428571428									
-O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(CCc2ccccc2)CC1		6.617142857142857									
-O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(COc2ccccc2)CC1		7.72									
-O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(Cc2ccccc2)CC1		7.888571428571429									
-O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(OCc2ccccc2)CC1		7.331428571428572									
-O=C(c1cc2c(cc(O)cc2)[nH]1)N1CCC(c2ccccc2)CC1		5.097									
-O=C(c1cc2c(cc(O)cc2O)[nH]1)N1CCC(Cc2ccccc2)CC1		8.188571428571429									
-O=C(c1cc2c(ccc(O)c2)[nH]1)N1CCC(Cc2ccccc2)CC1		7.492857142857143									
-O=C(c1cc2c(cccc2O)[nH]1)N1CCC(Cc2ccccc2)CC1		7.701428571428571									
-O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1					5.0						
-O=C(c1ccc(C#Cc2cc(Cl)ccc2)cn1)N1CCOCC1					7.72						
-O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(O)CC1					8.0						
-O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1					6.002000000000001						
-O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCSCC1					7.34						
-O=C(c1ccc(Cl)cc1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1					5.6						
-O=C(c1ccc(Cl)cc1)N1CCCn2nc(COc3ccccc3)cc12					6.41						
-O=C(c1ccc(F)c(F)c1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1					5.5						
-O=C(c1ccc(F)c(F)c1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.43						
-O=C(c1ccc(F)c(F)c1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					5.85						
-O=C(c1ccc(F)c(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.655						
-O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					6.23						
-O=C(c1ccc(F)c(F)c1)N1CCn2nc(COc3ccccc3)cc2C1					6.38						
-O=C(c1ccc(F)cc1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1					5.4						
-O=C(c1ccc(F)cc1)N1CC(c2nc(-c3cc(F)ccc3)no2)C1					5.62						
-O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1					6.751						
-O=C(c1ccc(F)cc1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.44						
-O=C(c1ccc(F)cc1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					4.64						
-O=C(c1ccc(F)cc1)N1CCCn2nc(COc3ccccc3)cc12					6.22						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)c1nc(-c3c(F)cccc3)cn1c(O)n2	7.324999999999999										
-O=C(c1ccc(F)cc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.05						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1c(F)cccc1)n2					5.92						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1cc(F)c(F)cc1)n2					6.19						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.62						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ccc(F)cc1)n2					6.18						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ccncc1)n2					5.765						
-O=C(c1ccc(F)cc1)N1CCc2c(C1)oc(COc1ncccc1)n2					5.61						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccc(F)cc3)cc2C1					6.53						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1					6.49						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1					5.53						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)c(F)c2C1					6.26						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2C1					6.79						
-O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2C1C(F)(F)F					5.58						
-O=C(c1ccc(F)cc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1					6.56						
-O=C(c1ccc(F)cc1F)N1CCn2nc(COc3ccccc3)cc2C1					6.68						
-O=C(c1ccc(NC2CCCCC2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(Nc2c(Cl)cccc2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(Nc2cc(Cl)ccc2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(Nc2ccc(Cl)c(Cl)c2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCC1					5.27						
-O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1					6.51						
-O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCCC1					6.601						
-O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCCCC1					5.64						
-O=C(c1ccc(Nc2ccc(Cl)cn2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCCC1					5.64						
-O=C(c1ccc(Nc2ccccc2)nc1)N1CCCCC1					5.0						
-O=C(c1ccc(OCc2c(C(F)(F)F)onc2-c2ccc(F)cc2)nc1)N1CCS(=O)(=O)CC1	7.23										
-O=C(c1cccc(C(F)(F)F)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.96						
-O=C(c1cccc(Cl)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					8.06						
-O=C(c1cccc(F)c1)N1CC(c2nc(-c3cc(Cl)ccc3)no2)C1					6.11						
-O=C(c1cccc(F)c1)N1CCCC1c1nc(-c2cccc(F)c2)no1					5.58						
-O=C(c1cccc(F)c1)N1CCCCC1c1nc(-c2cccc(F)c2)no1					6.34						
-O=C(c1cccc(F)c1)N1CCCn2nc(COc3ccccc3)cc12					6.23						
-O=C(c1cccc(F)c1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.855						
-O=C(c1cccc(F)c1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.521						
-O=C(c1cccc(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					6.57						
-O=C(c1cccc(F)c1)N1CCn2nc(COc3ccc(F)cc3)cc2C1					6.68						
-O=C(c1cccc(F)c1F)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.21						
-O=C(c1cccc2c1nc(-c1ccccc1)[nH]2)N1CCCCC1		4.3									
-O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(O)c3)C(O)C2)CC1		6.69									
-O=C(c1ccccc1)N1CCC(N2CCc3c(ccc(OCc4ccccc4)c3)C(O)C2)CC1		6.0									
-O=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc12					6.21						
-O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(Br)cn1)o2					6.76						
-O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(Cl)cn1)o2					7.5						
-O=C(c1ccccc1)N1CCc2c(C1)nc(-c1ccc(F)cn1)o2					7.27						
-O=C(c1ccccc1)N1CCc2c(C1)oc(COc1cc(F)ccc1)n2					6.535						
-O=C(c1ccccc1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					6.59						
-O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21	7.73										
-O=C(c1ccccc1)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.46
-O=C(c1ccccc1-c1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1					5.0						
-O=C(c1ccccc1F)N1CCC1c1nc(-c2cc(F)ccc2)no1					6.04						
-O=C(c1ccccc1F)N1CCCn2nc(COc3ccccc3)cc12					5.95						
-O=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1					6.7						
-O=C(c1ccccc1F)c1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.51
-O=C(c1cccnc1)N1CCCC2(CCCCC2)C1					4.523						
-O=C(c1ccco1)N1CCCC2(CCCCC2)C1					5.81						
-O=C(c1ccco1)N1CCCn2nc(COc3ccccc3)cc12					4.5						
-O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1					7.575						
-O=C(c1cccs1)N1CCCC1c1nc(-c2cccc(F)c2)no1					6.37						
-O=C(c1cccs1)N1CCCC2(CCCCC2)C1					5.93						
-O=C(c1ccnnc1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					5.0						
-O=C(c1ccno1)N1CCCn2nc(COc3ccccc3)cc12					5.56						
-O=C(c1cnc(C#Cc2ccccc2)cc1)N1CCCCC1					6.551						
-O=C(c1cnc(C#Cc2ccccc2)s1)N1CCCCC1					8.213						
-O=C(c1cncc(F)c1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					5.86						
-O=C(c1cnccn1)N1CCCC1c1ccc(-c2cc(Cl)ccc2)nc1					6.843999999999999						
-O=C(c1cnccn1)N1CCn2nc(COc3cc(F)ccc3)cc2C1					5.52						
-O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1					7.505						
-O=C(c1cscn1)N1CCOc2ccc(Cl)cc21											5.0
-O=C(c1nc2c(cccc2)nc1)N1CCCC2(CCCCC2)C1					5.3						
-O=C(c1nc2c(cccc2)nc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1					5.0						
-O=C(c1ncc(C#Cc2cc(F)ccc2)cc1)N1CC2CC2C1				4.537							
-O=C(c1ncc(F)cc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1					5.89						
-O=C(c1ncc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1					5.0						
-O=C(c1ncccc1Cl)N1CCn2nc(COc3ccccc3)cc2C1					5.0						
-O=C(c1ncccc1F)N1CCn2nc(COc3cc(F)ccc3)cc2C1					5.53						
-O=C(c1nccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1					7.817						
-O=C(c1nccs1)N1CCCn2nc(COc3ccccc3)cc12					6.59						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nc(Cl)cc2					6.84						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nccc2					6.22						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)nnc(Cl)c2					6.47						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)sc(O)n2					7.18						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)scc2					5.86						
-O=C(c1nn2cc(Br)cnc2c1)N1CCc2c(CC1)scn2					6.96						
-O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)sc(O)n2					6.89						
-O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)scn2					7.23						
-O=C1C(N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1		8.38									
-O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2		4.92									
-O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccc(F)cc1)CC2		5.69									
-O=C1C(c2ccc(F)cc2)=COC12CCN(Cc1ccccc1)CC2		5.0									
-O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2		5.65									
-O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2		5.0									
-O=C1C2C=Nc3c(cccc3)C2=NN1c1ccc(Cl)cc1	8.786666666666667										
-O=C1C2C=Nc3c(cccc3)C2=NN1c1ccccc1	8.695833333333335										
-O=C1C2CCCC2N1c1ccc(C#Cc2ccccc2)cn1					7.58						
-O=C1C2CCCC2N1c1ccc(C#Cc2cccnc2)cn1					7.41						
-O=C1C2CCCCC2C(=O)N1c1cc(Cl)cc(Cl)c1											5.48
-O=C1C=C(c2ccc(F)cc2)OC12CCN(CCc1ccccc1)CC2		5.08									
-O=C1C=C(c2ccccc2)OC12CCN(CCc1ccccc1)CC2		5.0									
-O=C1C=C(c2ccccc2)OC12CCN(Cc1ccccc1)CC2		5.36									
-O=C1CC(C#Cc2cncc(C3NC(=O)OC3c3cccc(F)c3)c2)C1					6.24						
-O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2c(cc(C(F)(F)F)cc2)N1							7.282				
-O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2c(cc(Cl)cc2)N1							8.0				
-O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(-c3ccc(I)cc3)cc2)N1							6.88				
-O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(-c3cccc(I)c3)cc2)N1							6.88				
-O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(C(F)(F)F)c(OCCCF)c2)N1							7.0				
-O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2c(cc(I)cc2)N1							7.05				
-O=C1CC(c2nc(-c3cc(C(F)(F)F)ccc3)no2)CN1c1ccc(F)cc1					5.0						
-O=C1CC(c2nc(-c3cc(Cl)ccc3)no2)CN1Cc1ccc(F)cc1					5.442						
-O=C1CC(c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(Cl)c(Cl)c1					5.96						
-O=C1CC(c2nc(-c3ccc(F)cc3)no2)CN1c1ccc(Cl)c(Cl)c1					5.64						
-O=C1CC(c2nc(-c3ccc(F)cc3)no2)CN1c1ccc(Cl)cc1					5.77						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)c(Cl)c1					6.34						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)cc1					6.852						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1					7.31						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1cccc(Cl)c1					5.96						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccccc1Cl					6.17						
-O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccccc1F					5.96						
-O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1cc(Cl)c(Cl)cc1					5.497999999999999						
-O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1ccc(Cl)cc1					6.2						
-O=C1CC(c2nc(-c3cccc(F)c3)no2)CN1c1ccc(F)cc1					7.06						
-O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1					7.24						
-O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccccc1					6.46						
-O=C1CC(c2nc(-c3ccccn3)no2)CN1c1ccc(F)cc1					5.0						
-O=C1CC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.8						
-O=C1CC2(CCCC2)CN1c1ncc(C#Cc2ccccc2)cn1					7.36						
-O=C1CC2(COC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.24						
-O=C1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)N1	6.5675										
-O=C1CCCc2c1cc(C#Cc1ccccc1)cn2					7.51						
-O=C1CCCc2c1ccc(C#Cc1ccccc1)c2					6.23						
-O=C1CCCc2c1ccc(C#Cc1ccccc1)n2					7.44						
-O=C1CCCc2c1cnc(Nc1c(Cl)cccc1)n2					4.0						
-O=C1CCCc2c1cnc(Nc1cc(Cl)ccc1)n2					6.921						
-O=C1CCCc2c1cnc(Nc1cc(F)ccc1)n2					5.651						
-O=C1CCCc2c1cnc(Nc1ccc(Cl)cc1)n2					6.14						
-O=C1CCCc2c1sc(C#Cc1ccccc1)n2			5.0		7.481	5.0	5.0		5.0	5.0	5.0
-O=C1CCNC(NC(=O)Nc2cc(Br)ccc2)=N1					5.031000000000001						
-O=C1CCNC(NC(=O)Nc2cc(Cl)ccc2)=N1					5.06						
-O=C1CCNC(NC(=O)Nc2cccc(C(F)(F)F)c2)=N1					5.221						
-O=C1CCNC(NC(=O)Nc2cccc(F)c2)=N1					5.038						
-O=C1CCOc2c1ccc(C#CC1CCCC1)n2					6.97						
-O=C1CCOc2c1ccc(C#CC1CCCCC1)n2					6.687						
-O=C1CCOc2c1ccc(C#Cc1ccccc1)c2					7.188						
-O=C1CCOc2c1ccc(C#Cc1ccccc1)n2					7.94						
-O=C1CCOc2c1ccc(C=Cc1ccccc1)n2					6.62						
-O=C1CCOc2c1ccc(CCc1ccccc1)n2					6.28						
-O=C1CCOc2c1ccc(COc1ccccc1)c2			5.0		6.197	5.0	5.0		5.0	5.0	5.0
-O=C1CCOc2c1ccc(COc1ccccc1)n2					6.34						
-O=C1CCOc2c1ccc(OCc1cc(Cl)ccc1)c2					6.68						
-O=C1CCOc2c1ccc(OCc1cc(F)ccc1)c2					6.565						
-O=C1CCOc2c1ccc(OCc1ccc(F)cc1)c2					6.11						
-O=C1CCOc2c1ccc(OCc1ccccc1)c2			5.0		6.527	5.0	5.0		5.0	5.0	5.0
-O=C1CCOc2c1ccc(OCc1ccccc1)n2					6.81						
-O=C1CCc2c(cc(Cl)cc2)N1CCc1nc(-c2cccc(Cl)c2)no1					6.26						
-O=C1CCc2c(ccc(O)c2)O1					5.0						
-O=C1CCc2c1ccc(C#Cc1ccccc1)c2					6.29						
-O=C1CN=C(c2c(Cl)cccc2)c2c(ccc([N+](=O)[O-])c2)N1	9.07										
-O=C1CN=C(c2c(Cl)cccc2Cl)c2c(ccc(Cl)c2)N1	8.26										
-O=C1CN=C(c2c([N+](=O)[O-])cccc2)c2c(ccc(Br)c2)N1	6.9626										
-O=C1CN=C(c2ccccc2)c2c(cccc2)N1	6.4006										
-O=C1CN=C(c2ccccc2Cl)c2c(ccc(Cl)c2)N1	8.55										
-O=C1CN=C(c2ccco2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3					7.1	5.32					
-O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Br)ccc3					7.05	8.1					
-O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(C(F)(F)F)ccc3					6.75	6.82					
-O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(Cl)ccc3					7.05	7.57					
-O=C1CN=C(c2cccs2)C=C2c3c(CCN12)c(F)ccc3					5.35	6.1					
-O=C1CN=C(c2cccs2)c2c(ccc(F)c2)N1	6.5926										
-O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(-c1ccncc1)ccc3					7.46	5.0					
-O=C1CN=C(c2cocc2)C=C2c3c(CCN12)c(I)ccc3					7.39	7.03					
-O=C1CN=C(n2cnc(-c3ccncc3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					6.97	5.699					
-O=C1CN=C(n2cnc(-c3ccno3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					9.0	5.63					
-O=C1CN=C(n2cnc(-c3cnco3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					7.92	5.699					
-O=C1CN=C(n2cnc(-c3ncco3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3					6.74	5.0					
-O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					7.25	5.78					
-O=C1CN=C(n2cnc(C(F)(F)F)c2)C=C2c3c(CCN12)c(I)ccc3					6.27	5.5					
-O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					8.7	6.15					
-O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ncc3						5.0					
-O=C1CN=C(n2cnc(C(O)C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					7.57	5.48					
-O=C1CN=C(n2cnc(C3(O)CC3)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					8.15	5.92					
-O=C1CN=C(n2cnc(C3(O)COC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccc3					5.96	5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cc(C(F)(F)F)n[nH]1)ccc3						5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccn3					7.96	5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ncc3					6.57	5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(F)nc1F)ccc3					7.08	5.699					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccc(O)nc1)ccc3						5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3					7.43	5.23					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccnc(F)c1)ccc3					6.66	4.74					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ccno1)ccc3					7.72	6.25					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)c(F)cc3					7.03	5.0					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnc(F)nc1)ccc3					6.99	4.92					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccc1F)ccc3					7.16	5.23					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cnccn1)ccc3					7.0	5.71					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cncs1)ccc3					7.51	5.699					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1cocn1)ccc3					8.0	5.75					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1n[nH]cc1)ccc3					6.9	5.08					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1nc(F)cnc1)ccc3					7.58	6.4					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-c1ncco1)ccc3					8.15	5.89					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(-n1nccn1)ccc3					7.1	5.83					
-O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3c(CCN12)c(C1CC1)ncc3					6.48	5.699					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cc(F)ccn1)ccc3					6.08	5.0					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1cccnc1F)c(F)cc3					7.06	5.222					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nc(F)ccc1)ccc3					6.7	5.0					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncc(F)nc1)ccc3					7.72	5.699					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1ncccc1F)ccc3					6.57	5.0					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccnc1F)ccc3					7.7	5.699					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(-c1nccs1)ccc3					7.77	6.12					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ccc3					8.1	6.65					
-O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3c(CCN12)c(C1CC1)ncc3					6.12	5.0					
-O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-c1cccnc1F)ccc3					7.85	5.62					
-O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(-n1cccn1)ccc3					7.7	5.0					
-O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3c(CCN12)c(N1CCOCC1)ccc3					7.31	5.0					
-O=C1CN=C(n2cnc(C3CCC3)n2)C=C2c3c(CCN12)c(-c1ccc(F)nc1)ccc3					7.42						
-O=C1CN=C(n2cnc(CCO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					9.0	7.39					
-O=C1CN=C(n2cnc(CF)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					8.7	6.17					
-O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					8.22	6.15					
-O=C1CN=C(n2cnc(CO)c2)C=C2c3c(CCN12)c(I)ccc3					6.68	5.82					
-O=C1CN=C(n2cnc(COC(F)(F)F)c2)C=C2c3c(CCN12)c(C1CC1)ccc3					7.34	5.699					
-O=C1CN=C(n2cnc(Cl)c2)C=C2c3c(CCN12)c(-c1cc(F)cnc1)ccc3					6.69	5.0					
-O=C1COc2c(N1)c(C(=O)Nc1cc(Cl)ccc1)ccc2					5.54						
-O=C1COc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)N1		5.96									
-O=C1COc2c(cccc2)N1CCc1nc(-c2cccc(Cl)c2)no1					6.1						
-O=C1COc2c(cccc2)N1Cc1nc(-c2cccc(Cl)c2)no1					6.11						
-O=C1COc2c1ccc(C#Cc1ccccc1)c2					7.04						
-O=C1CS(=O)(=O)CCN1c1ccc(C#Cc2ccccc2)cn1					7.54						
-O=C1Cc2c(N1)c(C(=O)Nc1cc(Cl)ccc1)ccc2					6.4						
-O=C1Cc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)N1		5.39									
-O=C1Cc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)N1		6.96									
-O=C1Cc2c(ccc(NC(=O)C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2)N1		6.08									
-O=C1N(c2ccc(C#Cc3cc(F)ccc3)cn2)CC2CCCCN12					7.77						
-O=C1N(c2ccc(C#Cc3ccccc3)cn2)CC2CCCCN12					7.48						
-O=C1N(c2ccc(C#Cc3cccnc3)cn2)CC2CCCCN12					7.13						
-O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn12			5.0	5.0		5.0	5.0		5.0	6.54	5.0
-O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1c(O)cc(O)cc1		5.78									
-O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(O)cc1		5.66									
-O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)SC1=Cc1ccc(O)cc1		4.89									
-O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1	4.0										
-O=C1NC(=O)c2c1ccc(C#Cc1ccc(F)c(F)c1)c2					6.77						
-O=C1NC(=O)c2c1ccc(C#Cc1ccc(F)cc1)c2					6.8						
-O=C1NC(=O)c2c1ccc(C#Cc1cccc(F)c1)c2					7.46						
-O=C1NC(=O)c2c1ccc(C#Cc1ccccc1)c2					7.94						
-O=C1NC(=O)c2c1ccc(C#Cc1ccccc1F)c2					7.92						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(Cl)c(Cl)ccc2)O1					7.39						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(Cl)cc(F)cc2)O1					7.33						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(F)cc(F)cc2)O1					7.195						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2c(F)ccc(F)c2)O1					7.17						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cc(F)cc(F)c2)O1					6.97						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2ccc(Cl)cc2)O1					7.225						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2ccc(F)cc2)O1					7.26						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cccc(Cl)c2)O1					7.35						
-O=C1NC(c2cc(C#CC3CC(F)(F)C3)cnc2)C(c2cccc(F)c2)O1					7.35						
-O=C1NC(c2cc(C#CC3CC(F)C3)cnc2)C(c2cccc(F)c2)O1					7.61						
-O=C1NC(c2cc(C#CC3CC(O)C3)cnc2)C(c2cccc(F)c2)O1					6.267						
-O=C1NC(c2cc(C#Cc3ccccc3)ccc2)C(c2cc(F)ccc2)O1					8.005						
-O=C1NC(c2cc(C#Cc3ccccc3)ccn2)C(c2ccccc2)O1					8.0						
-O=C1NC(c2cc(C#Cc3ccccc3)cnc2)C(c2cc(F)ccc2)O1					8.915						
-O=C1NC(c2cc(C#Cc3ccccc3)cnc2)C(c2cc(F)ccc2F)O1					8.637						
-O=C1NC(c2cc(C#Cc3cncc(F)c3)cnc2)C(c2ccc(F)cc2)O1					7.44						
-O=C1NC(c2cncc(C#CC3CC3)c2)C(c2cccc(F)c2)O1					7.035						
-O=C1NC(c2cncc(C#CC3CCC3)c2)C(c2cccc(F)c2)O1					7.96						
-O=C1NC(c2cncc(C#CC3CCCC3)c2)C(c2cc(F)ccc2)O1					7.685						
-O=C1NC(c2cncc(C#CC3CCCCC3)c2)C(c2cc(F)ccc2)O1					7.32						
-O=C1NC(c2cncc(C#CC3CCCO3)c2)C(c2cccc(F)c2)O1					6.555						
-O=C1NC(c2cncc(C#CC3CCOC3)c2)C(c2cccc(F)c2)O1					6.59						
-O=C1NC(c2cncc(C#CC3CCOCC3)c2)C(c2cccc(F)c2)O1					6.77						
-O=C1NC(c2cncc(C#CC3COC3)c2)C(c2cccc(F)c2)O1					5.78						
-O=C1NC(c2cncc(C#Cc3ccccc3)c2)C(c2c(Cl)cccc2)O1					9.22						
-O=C1NC2CCCCC2N1c1nc2c(cccn2)o1	6.0										
-O=C1NC2CCCCCC2N1c1nc2c(cc(F)c(F)c2)o1	7.06										
-O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2)o1	8.3										
-O=C1NC2CCCCCC2N1c1nc2c(cc(F)cc2F)o1	7.19										
-O=C1NC2CCCCCC2N1c1nc2c(ccc(Cl)c2)o1	6.849999999999999										
-O=C1NC2CCCCCC2N1c1nc2c(ccc(F)c2)o1	8.3										
-O=C1NC2CCCCCC2N1c1nc2c(cccc2)o1	8.1										
-O=C1NC2CCCCCC2N1c1nc2c(cccn2)o1	6.86										
-O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)c(F)cc2	8.52										
-O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)cc(F)c2	8.15										
-O=C1NC2CCCCCC2N1c1nc2c(o1)c(F)ccc2	8.3										
-O=C1NCCC1(c1ccccc1)N1CCCCC1		4.3999999999999995									
-O=C1NCCCC1(c1ccccc1)N1CCCCC1		4.2									
-O=C1NCCc2c1ccc(C#Cc1cc(F)ccc1)n2					6.54						
-O=C1NCCc2c1ccc(C#Cc1ccc(Cl)cc1)c2					5.0						
-O=C1NCCc2c1ccc(C#Cc1ccc(F)cc1)c2					6.58						
-O=C1NCCc2c1ccc(C#Cc1ccc(F)cc1F)c2					6.07						
-O=C1NCCc2c1ccc(C#Cc1cccc(Cl)c1)c2					6.33						
-O=C1NCCc2c1ccc(C#Cc1ccccc1)c2					7.35						
-O=C1NCCc2c1ccc(C#Cc1ccccc1Cl)c2					5.43						
-O=C1NCCc2c1ccc(C#Cc1ccccc1F)c2					6.82						
-O=C1NCCc2c1ccc(OCc1cc(F)ccc1)n2					6.431						
-O=C1NCCc2c1sc(C#Cc1cc(Cl)ccc1)n2					5.601						
-O=C1NCCc2c1sc(C#Cc1ccc(F)cc1)n2					5.282						
-O=C1NCCc2c1sc(C#Cc1cccc(F)c1)n2					6.54						
-O=C1NCCc2c1sc(C#Cc1ccccc1)n2					6.937						
-O=C1NCCc2c1sc(C#Cc1ccccc1F)n2					5.822						
-O=C1NCCc2c1sc(C#Cc1cccnc1)n2					7.291						
-O=C1NCN(c2ccccc2)C12CCN(C1Cc3c4c1cccc4ccc3)CC2	6.5										
-O=C1NCc2c1ccc(C#Cc1ccc(F)cc1)c2					6.46						
-O=C1NCc2c1ccc(C#Cc1cccc(F)c1)c2					7.18						
-O=C1NCc2c1ccc(C#Cc1ccccc1)c2					7.53						
-O=C1NCc2c1ccc(C#Cc1ccccc1F)c2					6.7						
-O=C1Nc2c(cc(C#CCCN3CCC(Cc4ccccc4)CC3)cc2)C1=O		4.995									
-O=C1Nc2c(cc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2)CO1		6.957142857142857									
-O=C1OC(COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1							6.11				
-O=C1OC(COc2ccc(Cl)cc2)CN1c1ccccc1							6.442				
-O=C1OC(COc2cccc(C(F)(F)F)c2)CN1c1ccccc1							5.93				
-O=C1OC(COc2cccc(Cl)c2)CN1c1ccccc1							6.08				
-O=C1OC(COc2ccccc2)CN1c1ccccc1							5.46				
-O=C1OC(COc2ccccc2C(F)(F)F)CN1c1ccccc1							4.523				
-O=C1OC(COc2ccccc2Cl)CN1c1ccccc1							5.41				
-O=C1OC(Cc2ccccc2)CN1c1ccccc1							4.6				
-O=C1OC2(CC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.82						
-O=C1OC2(CC2)CN1c1ccc(C#Cc2cccnc2)cn1					7.24						
-O=C1OC2(CCC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.6						
-O=C1OC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.41						
-O=C1OC2(CCCCC2)CN1c1ccc(C#Cc2ccccc2)cn1					7.17						
-O=C1OC2(CCOCC2)CN1Cc1ccc(OCC2CCCCC2)cc1							6.42				
-O=C1OC2CCCC2CN1c1ccc(C#Cc2ccccc2)cn1					7.47						
-O=C1OC2CCCC2N1c1ccc(C#Cc2cc(F)cnc2)cn1					7.46						
-O=C1OC2CCCC2N1c1ccc(C#Cc2ccccc2)cn1					7.85						
-O=C1OC2CCCC2N1c1ccc(C#Cc2cccnc2)cn1					7.92						
-O=C1OC2CCCCC2N1c1ccc(C#Cc2ccccc2)cn1					7.44						
-O=C1OC2COCCC2N1c1ccc(C#Cc2ccccc2)cn1					7.22						
-O=C1OC=C2CCCNCC12	4.25										
-O=C1OCC2CCCC2N1c1ccc(C#Cc2cc(F)ccc2)cn1					8.0						
-O=C1OCC2CCCC2N1c1ccc(C#Cc2cc(F)ccc2F)cn1					7.82						
-O=C1OCC2CCCC2N1c1ccc(C#Cc2ccc(F)cc2)cn1					8.0						
-O=C1OCC2CCCC2N1c1ccc(C#Cc2ccccc2)cn1					7.66						
-O=C1OCCCN1Cc1ccc(OCC2CCCCC2)cc1							6.93				
-O=C1OCCCN1Cc1ccc(OCc2cccnc2)cc1							5.0				
-O=C1OCCN1Cc1ccc(OCC2CCCCC2)cc1							6.23				
-O=C1c2c(CCN1C1CC1)nc(COc1ccccc1)s2					5.84						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccc(Cl)cc1)cc2					6.01						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccc(Cl)c1)cc2					6.747000000000001						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccc1)cc2					7.14						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccc1Cl)cc2					6.41						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1ccccn1)cc2					6.384						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccnc1)cc2					6.13						
-O=C1c2c(CCN1C1CCCC1)nc(C#Cc1cccs1)cc2					7.13						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccc(Cl)c1)cc2					5.845						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccc1)cc2					6.155						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccc1Cl)cc2					6.032						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1ccccn1)cc2					5.97						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccnc1)cc2					5.877000000000001						
-O=C1c2c(CCN1C1CCCCC1)nc(C#Cc1cccs1)cc2					7.015						
-O=C1c2c(CCN1CC1CC1)nc(C#Cc1cc(F)ccc1)cc2					6.18						
-O=C1c2c(CCN1CC1CC1)nc(COc1ccccc1)s2					6.601						
-O=C1c2c(CCN1CC1CCC1)nc(C#Cc1cc(F)ccc1)cc2					6.89						
-O=C1c2c(CCN1CC1CCOCC1)nc(COc1ccccc1)s2					6.07						
-O=C1c2c(CCN1c1c(F)cc(F)cc1)nc(COc1ccccc1)s2					7.18						
-O=C1c2c(CCN1c1c(F)cccn1)nc(COc1ccccc1)s2					6.101						
-O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1c(F)cccc1)s2					6.26						
-O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1cc(F)ccc1)s2					7.115						
-O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1ccc(F)cc1)s2					6.13						
-O=C1c2c(CCN1c1ccc(F)cc1)nc(COc1ccccc1)s2					7.02						
-O=C1c2c(CCN1c1ccc(F)cc1)nc(OCc1ccccc1)s2					5.95						
-O=C1c2c(CCN1c1ccncc1)nc(COc1ccccc1)s2					5.57						
-O=C1c2c(CCN1c1cnccc1)nc(COc1ccccc1)s2					5.752000000000001						
-O=C1c2c(CCN1c1ncc(F)cc1)nc(COc1ccccc1)s2					6.21						
-O=C1c2c(CCN1c1ncccc1)nc(COc1ccccc1)s2					5.9910000000000005						
-O=C1c2c(CN1C1CC1)nc(C#Cc1ccccc1)s2					7.64						
-O=C1c2c(CN1C1CCCC1)nc(C#Cc1ccccc1)s2					8.6						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCN1CCOCC1					5.24						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCc1ccncc1					6.05						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)C(=O)N1CCc1ncccc1					6.06						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CC1CC1					6.75						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CC1CCC1					6.57						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CCN1CCC1					5.4						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1CCN1CCOCC1					5.44						
-O=C1c2c(cc(C#Cc3ccccc3)cc2)CCN1Cc1ccccc1					6.26						
-O=C1c2c(cc(OCc3cc(CSc4ccncc4)ccc3)c(Cl)c2Cl)CC1C1CCCC1							6.782				
-O=C1c2c(cc(OCc3ccc(-c4n[nH]nn4)cc3)c(Cl)c2Cl)CC1C1CCCC1							6.912000000000001				
-O=C1c2c(cccc2)C(=O)N1C1C=C(C#Cc2ncccc2)CCC1					7.57						
-O=C1c2c(cccc2)C(=O)N1CCn1c(=O)c2c(cccc2)c(=O)n1Cc1ccccc1	5.5275										
-O=C1c2c(cccc2)C(=O)N1c1cc(OCc2ccccc2)ccc1					5.68						
-O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1					6.99					7.47	
-O=C1c2cc(COc3ccc(F)cn3)nn2CCN1c1ccc(F)cc1					5.1						
-O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ccc(F)cc1					7.0						
-O=C1c2cc(COc3cccc(F)c3)nn2CCN1c1ncc(F)cc1					7.04						
-O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1					6.86					6.27	
-O=C1c2cc(COc3ccccc3)nn2CCN1c1c(F)cc(F)cc1					7.0						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1c(F)cccc1					6.8						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1cc(F)c(F)cc1					7.06						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1cc(F)ccc1					6.895						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1					7.19					7.13	
-O=C1c2cc(COc3ccccc3)nn2CCN1c1ccncc1					5.68						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1cnccc1					5.68						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cc1			5.0		6.895	5.0	5.0		5.0	5.17	
-O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1					6.12						
-O=C1c2cc(COc3ccccc3)nn2CCN1c1ncccc1					6.12						
-O=C1c2cc(COc3ccccc3F)nn2CCN1c1ccc(F)cc1					6.825						
-O=C1c2cc(COc3cccnc3)nn2CCN1c1ccc(F)cc1					5.4						
-O=C1c2cc(COc3ccncc3)nn2CCN1c1ccc(F)cc1					6.16						
-O=C1c2cc(COc3ncccc3)nn2CCN1c1ccc(F)cc1					6.31					6.54	
-O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1			5.0		6.8	5.0	5.0		5.0	5.47	
-O=C1c2nc(COc3ccccc3)nn2CCN1c1ccc(F)cc1					5.59						
-O=Cc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.45						
-O=Cc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.3						
-O=Cc1c[nH]c2c1cc(-n1cnc3cccnc31)cc2	6.68										
-O=Nc1c(O)c2c(cc(Cl)cc2Cl)nc1O		7.4799999999999995									
-O=Nc1c(O)c2c(cccc2Cl)nc1O		5.36									
-O=Nc1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2		6.04									
-O=Nc1c(O)nc2c(Cl)cccc2c1O		4.0									
-O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O		5.4799999999999995									
-O=Nc1c(O)nc2cc(Cl)c(Cl)c(Cl)c2c1O		8.15									
-O=Nc1c(O)nc2cc(Cl)c(Cl)cc2c1O		7.92									
-O=Nc1c(O)nc2cc(Cl)ccc2c1O		7.28									
-O=Nc1c(O)nc2ccc(Cl)c(Cl)c2c1O		6.7700000000000005									
-O=Nc1c(O)nc2ccc(Cl)cc2c1O		5.47									
-O=Nc1c(O)nc2ccccc2c1O		5.85									
-O=P(O)(O)C(NC(c1ccccc1)c1ccccc1)c1cccc2nc(O)c(O)nc12		7.152142857142857									
-O=P(O)(O)C(NC1CCc2ccccc21)c1cccc2nc(O)c(O)nc12		6.856857142857143									
-O=P(O)(O)C(NCCc1ccccc1)c1cccc2nc(O)c(O)nc12		7.765714285714286									
-O=P(O)(O)C(NCc1ccccc1)c1cccc2nc(O)c(O)nc12		8.51542857142857									
-O=P(O)(O)C(Nc1ccccc1)c1cccc2nc(O)c(O)nc12		6.621									
-O=P(O)(O)C(O)c1c2nc(O)c(O)nc2ccc1		8.876000000000001									
-O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(-c2ccc(Cl)cc2)c1		9.128571428571428									
-O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Br)c1		8.82									
-O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(Cl)c1		8.77									
-O=P(O)(O)Cc1c2nc(O)c(O)nc2cc(F)c1		9.0									
-O=P(O)(O)Cc1c2nc(O)c(O)nc2ccc1		9.3									
-O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OP(=O)(O)O								4.5			
-O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O								6.55			
-O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(F)(F)C(O)C1OP(=O)(O)O								5.335			
-O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O								7.715			
-O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(O[PH](O)(O)O)C(O)C1OP(=O)(O)O								6.76			
-O=P(O)(O)OC1CC(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O								5.212999999999999			
-O=S(=O)(C1CC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.47						
-O=S(=O)(C1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.32						
-O=S(=O)(C1CCCCC1)N1Cc2c(C1)sc(C#Cc1ccccc1)n2					6.822						
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC(F)(F)F)ccc1							6.85				
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCC2)ccc1							7.44				
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCCC2)ccc1							7.62				
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OC2CCCCC2)ccc1							7.54				
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OCC(F)(F)F)ccc1							7.0				
-O=S(=O)(CC(F)(F)F)N(Cc1cnccc1)c1cc(OCc2ccccc2)ccc1							6.21				
-O=S(=O)(CCCN1CCc2c(ccc(O)c2)C(O)C1)c1ccccc1		6.0									
-O=S(=O)(CCCN1CCc2c(ccc(OCc3ccccc3)c2)C(O)C1)c1ccccc1		7.43									
-O=S(=O)(Cc1ccccc1)N1CC=C(C#Cc2ncccc2)CC1					7.24						
-O=S(=O)(N1CCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.442						
-O=S(=O)(N1CCCCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					6.11						
-O=S(=O)(N1CCCCC1)N1Cc2c(C1)sc(C#Cc1ccccc1)n2					6.601						
-O=S(=O)(N1CCOCC1)N1CCc2c(C1)sc(C#Cc1ccccc1)n2					7.89						
-O=S(=O)(Nc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2)c1ccccc1		7.54									
-O=S(=O)(O)C1CCNCC1	4.378166666666667										
-O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1					7.6						
-O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1					7.03						
-O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1					7.6						
-O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1					7.46						
-O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1					7.92						
-O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1					7.6						
-O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1					7.13						
-O=S(=O)(c1ccc(Br)cc1)N1CC=C(C#Cc2ncccc2)CC1					8.66						
-O=S(=O)(c1ccc(Cl)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.77						
-O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1					7.57						
-O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1					7.68						
-O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1					7.89						
-O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1					7.66						
-O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1					7.37						
-O=S(=O)(c1ccc(F)cc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1					6.89						
-O=S(=O)(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1					5.0						
-O=S(=O)(c1cccc(Cl)c1)c1cnc2cc(Cl)ccc2c1N1CCC(CO)CC1					7.51						
-O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1					7.16						
-O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCC1					6.51						
-O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCCC1					6.51						
-O=S1(=O)c2c(cccc2)S(=O)(=O)N1c1ccc(NC2(c3ncccc3)CC2)cc1											5.192
-O=S1(=O)c2c(cccc2)S(=O)(=O)N1c1ccc(NCc2ccccn2)cc1											5.747999999999999
-O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl	7.960999999999999										
-O=[N+]([O-])c1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.51						
-O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)c(O)n2		8.23									
-O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2)nc1O		6.4									
-O=[N+]([O-])c1c(O)c2c(cc(Cl)c(Cl)c2Cl)nc1O		6.660000000000001									
-O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2)nc1O		5.82									
-O=[N+]([O-])c1c(O)c2c(cc(Cl)cc2Cl)nc1O		6.660000000000001									
-O=[N+]([O-])c1c(O)c2c(ccc(Cl)c2)nc1O		4.0									
-O=[N+]([O-])c1c(O)c2c(cccc2)nc1O		4.47									
-O=[N+]([O-])c1c(O)c2c(cccc2Cl)nc1O		4.21									
-O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)c(Cl)c(Cl)c2		4.0									
-O=[N+]([O-])c1c(O)c2c(nc1O)c(Cl)ccc2		4.0									
-O=[N+]([O-])c1c(O)c2c(nc1O)c(F)c(Cl)c(F)c2		4.4									
-O=[N+]([O-])c1c(O)nc2c(F)c(F)c(F)c(F)c2c1O		4.0									
-O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O		5.18									
-O=[N+]([O-])c1c(OCCCc2ccccc2)c(F)cc2c1nc(O)c(O)n2		5.4									
-O=[N+]([O-])c1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1		6.08									
-O=[N+]([O-])c1c2CCCc2cc2c1nc(O)c(O)n2		5.51									
-O=[N+]([O-])c1cc(-c2c(C3CCNCC3)onc2O)ccc1	6.86										
-O=[N+]([O-])c1cc(C(NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1		8.52									
-O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1		7.071142857142857									
-O=[N+]([O-])c1cc(C(NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1		8.82									
-O=[N+]([O-])c1cc(C(NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1		8.39									
-O=[N+]([O-])c1cc(C(O)P(=O)(O)O)c2nc(O)c(O)nc2c1		8.92									
-O=[N+]([O-])c1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		5.225									
-O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCCN1CCC(Cc3ccccc3)CC1)n2		4.75									
-O=[N+]([O-])c1cc2c(cc1)[nH]c(SCCN1CCC(Cc3ccccc3)CC1)n2		4.376666666666666									
-O=[N+]([O-])c1ccc2CCC(NCCCCc3ccccc3)CCc2c1		8.42									
-O=[N+]([O-])c1ccc2CCC(NCCCc3ccccc3)CCc2c1		8.8									
-O=[N+]([O-])c1ccc2CCC(NCCc3ccccc3)CCc2c1		8.48									
-O=[N+]([O-])c1ccc2CCC(NCc3ccccc3)CCc2c1		8.12									
-O=[N+]([O-])c1ccc2[nH]c3c(c2c1)c1c(nc3)c2c(cccc2)[nH]1	5.997999999999999										
-O=[N+]([O-])c1ccc2[nH]c3c(cc([N+](=O)[O-])nc3)c2c1	6.44275										
-O=[N+]([O-])c1cccc(-c2c(O)c3c(cc(Cl)cn3)nc2O)c1		5.13									
-O=[N+]([O-])c1cccc(-c2nc(-c3ncccc3)no2)c1					6.63						
-O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2cccc(Cl)c2)CC1					8.86						
-O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccc2)CC1					8.975						
-O=[N+]([O-])c1cccnc1N1CCC(=CC#Cc2ccccn2)CC1					9.46						
-O=[N+]([O-])c1cccnc1N1CCN(CC#Cc2ccccc2)CC1					7.22						
-O=[N+]([O-])c1ncc2[nH]c3c(cccc3)c2c1	6.900000000000001										
-O=[PH](O)C1CCNCC1	3.701833333333333										
-O=[Se](O)C1CCNCC1	3.667833333333333										
-O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12	7.419999999999999										
-O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12	7.25										
-O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccccc3)nn12	8.55										
-O=c1[nH]c2c(cccc2)n2c(=O)c(-c3c(F)cccc3)nn12	5.0										
-O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Br)cc3)nn12	6.650000000000001										
-O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(Cl)cc3)nn12	6.77										
-O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccc(F)cc3)nn12	7.27										
-O=c1[nH]c2c(cccc2)n2c(=O)c(-c3ccccc3)nn12	7.66										
-O=c1c(C(F)(F)F)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1							6.6				
-O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1							6.77				
-O=c1c2c(ccn1-c1ccc(Br)cc1)c1c(nccc1NC1CC1)s2						8.64					
-O=c1c2c(ccn1-c1ccc(Cl)cc1)c1c(nccc1NC1CC1)s2						8.36					
-O=c1c2c(ncn1-c1c(Cl)cccc1)c(-c1ccccc1)cs2						6.39					
-O=c1c2c(ncn1-c1cc(Cl)ccc1)c(-c1ccccc1)cs2						6.43					
-O=c1c2c(ncn1-c1cc(F)ccc1)c(-c1ccccc1)cs2						7.24					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccc3OCOc3c1)cs2						6.35					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccccc1)cs2						6.79					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c(-c1ccccc1F)cs2						7.52					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1NCCO3)s2					6.0	8.54					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1[nH]cc3)s2						9.4					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c1nc[nH]3)s2						8.221					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncc3c[nH]nc31)s2						7.422000000000001					
-O=c1c2c(ncn1-c1ccc(Cl)cc1)c1c(ncnc1NC1CC1)s2					5.0	8.521					
-O=c1c2c(ncn1-c1ccc(F)cc1)c(-c1ccccc1)cs2						7.18					
-O=c1c2c(ncn1-c1ccc(F)cc1)c1c(ncnc1NC1CC1)s2						7.09					
-O=c1c2c(ncn1-c1ccccc1)c(-c1ccccc1)cs2						6.87					
-O=c1c2c(ncn1-c1ccccc1F)c(-c1ccccc1)cs2						6.17					
-O=c1c2c(ncn1C1CCCCC1)c1c(ncnc1NC1CC1)s2						7.158					
-O=c1cc(-c2c(Cl)cccc2)oc2c1c(O)cc(O)c2	5.1										
-O=c1cc(-c2c(F)cccc2)oc2c1c(O)cc(O)c2	5.1										
-O=c1cc(-c2c(F)cccc2)oc2c1cc(Br)cc2	6.419999999999999										
-O=c1cc(-c2c(F)cccc2)oc2c1cc(Cl)cc2	6.38										
-O=c1cc(-c2c([N+](=O)[O-])cccc2)oc2c1cc(Br)cc2	6.68										
-O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Br)cc2	7.72										
-O=c1cc(-c2cc(Br)ccc2)oc2c1cc(Cl)cc2	7.64										
-O=c1cc(-c2cc(Br)ccc2)oc2c1cc(F)cc2	6.63										
-O=c1cc(-c2cc(Br)ccc2)oc2c1cccc2	6.38										
-O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Br)cc2	7.77										
-O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(Cl)cc2	7.64										
-O=c1cc(-c2cc(Cl)ccc2)oc2c1cc(F)cc2	6.7										
-O=c1cc(-c2cc(Cl)ccc2)oc2c1cccc2	6.21										
-O=c1cc(-c2cc(F)ccc2)oc2c1cc(Br)cc2	7.38										
-O=c1cc(-c2cc(F)ccc2)oc2c1cc(Cl)cc2	6.93										
-O=c1cc(-c2cc(F)ccc2)oc2c1cc(F)cc2	6.04										
-O=c1cc(-c2cc(F)ccc2)oc2c1cccc2	5.45										
-O=c1cc(-c2cc(O)ccc2)oc2c1cc(Br)cc2	6.22										
-O=c1cc(-c2cc(O)ccc2)oc2c1cc(Cl)cc2	6.07										
-O=c1cc(-c2cc(O)ccc2)oc2c1cc(F)cc2	5.599999999999999										
-O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1c(Br)ccc2	7.52										
-O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Br)cc2	9.0										
-O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(Cl)cc2	8.1										
-O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc(F)cc2	6.739999999999999										
-O=c1cc(-c2cc([N+](=O)[O-])ccc2)oc2c1cc([N+](=O)[O-])cc2	7.919999999999999										
-O=c1cc(-c2ccc(Br)cc2)oc2c1cc([N+](=O)[O-])cc2	7.599999999999999										
-O=c1cc(-c2ccc(F)cc2)oc2c1cc(Br)cc2	6.94										
-O=c1cc(-c2ccc(F)cc2)oc2c1cc(Cl)cc2	6.739999999999999										
-O=c1cc(-c2ccc(F)cc2)oc2c1cc(F)cc2	5.599999999999999										
-O=c1cc(-c2ccc(F)cc2)oc2c1cccc2	5.44										
-O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c3oc(-c3ccc(O)cc3)cc4=O)c2)oc2c1c(O)cc(O)c2	8.0655										
-O=c1cc(-c2ccc(O)cc2)oc2c1c(O)c(O)c(O)c2	4.92										
-O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc(O)c2	5.52										
-O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c1cc(Br)cc2	6.7										
-O=c1cc(-c2ccccc2)oc2c1c(O)c(Br)c(O)c2Br	6.150000000000001										
-O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c(O)c2	5.25										
-O=c1cc(-c2ccccc2)oc2c1c(O)cc(O)c2	5.52										
-O=c1cc(-c2ccccc2)oc2c1cc(Br)cc2	7.150000000000001										
-O=c1cc(-c2ccccc2)oc2c1cccc2	6.885000000000001										
-O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(C3CC3CO)n12		7.14									
-O=c1cc(OCCC2CC2)nc2COCC(Cc3ccccc3)n21					7.01						
-O=c1cc(OCc2cccc(Cl)c2)nc2CCCCn21					8.0						
-O=c1cc(OCc2cccc(Cl)c2)nc2COCC(Cc3ccccc3)n21					8.76						
-O=c1cc(OCc2cccc(Cl)c2)nc2COCCn21					7.57						
-O=c1cc(OCc2cccc(Cl)c2)nc2ccc(Oc3cnccc3)cn12					8.4						
-O=c1cc(OCc2cccc(Cl)c2)nc2ccccn12					8.15						
-O=c1cc(OCc2ccccn2)nc2COCC(Cc3ccccc3)n21					8.0						
-O=c1cc(SCc2ccccn2)nc2ccccn12					6.71						
-O=c1ccnc2cc(C#Cc3ccccc3)ccn12					7.27						
-O=c1ccoc2c1ccc(C#Cc1ccccc1)c2					6.93						
-O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12			5.0	5.0		5.0	5.0		5.0	6.2	5.0
-O=c1oc2c(cccc2)n1Cc1nc(-c2cccc(Cl)c2)no1					5.68						
-O=c1sc2c(cccc2)n1Cc1nc(-c2cccc(Cl)c2)no1					5.96						
-OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1		5.7700000000000005									
-OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1		7.89									
-OC(c1ccc(Cl)cc1)c1ccnc(-c2ccccn2)n1					5.523						
-OC1(C2CC2)CCC(Nc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1							8.692				
-OC1CCC(Nc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1							8.102				
-OC1CCC(Nc2c(Cl)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)CC1							7.857				
-OC1CCC(Nc2c(Cl)cc(-c3c(Cl)c4nnc(CC5CC5)n4cc3)cc2)CC1							7.967				
-OC1CCC(Nc2ccc(-c3c(Cl)c4ncc(CC(F)(F)F)n4cc3)cc2Cl)CC1							6.822				
-OC1CCC(Oc2c(Cl)cc(-c3c(C(F)(F)F)c4nnc(CC5CC5)n4cc3)cc2)CC1							8.28				
-OC1CCC(Oc2c(Cl)cc(-c3c(Cl)c4nnc(CC(F)(F)F)n4cc3)cc2)CC1							7.518				
-OC1CCC(n2ccc3c2ccc(-c2c(Cl)c4ncc(CC(F)(F)F)n4cc2)c3)CC1									5.28		
-OC1CCC(n2ccc3cc(-c4c(Cl)c5ncc(CC(F)(F)F)n5cc4)ccc32)CC1							6.797999999999999				
-OC1CCCc2c1ccc(C#Cc1ccccc1)n2					5.977						
-OC1CN(C2CCC(c3ccccc3)CC2)CCc2c1ccc(OCc1ccccc1)c2		6.635									
-OC1CN(C2CCC3(CC2)OCCO3)CCc2c1ccc(OCc1ccccc1)c2		5.95									
-OC1CN(C2COC(c3ccccc3)OC2)CCc2c1ccc(OCc1ccccc1)c2		6.0									
-OC1CN(CCCCc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2		6.73									
-OC1CN(CCCCc2ccccc2)CCc2c1cccc2		7.14									
-OC1CN(CCCOc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2		7.03									
-OC1CN(CCCSc2ccccc2)CCc2c1ccc(OCc1ccccc1)c2		7.39									
-OC1CN(CCCc2ccccc2)CCc2c1cccc2		6.39									
-OC1CN(Cc2ccc(N3CCCCC3)cc2)CCc2c1ccc(OCc1ccccc1)c2		5.88									
-OC1CN(Cc2cccc(-c3ccccc3)c2)CCc2c1ccc(OCc1ccccc1)c2		5.92									
-OC1CN(Cc2ccccc2)CCc2c1cccc2		6.05									
-OC1CN=C(c2ccc(OC(F)(F)F)cc2)NC1c1ccccc1		5.132000000000001									
-OC1Cc2c(cccc2)C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1		7.47									
-OCC#Cc1nc(C#Cc2cccc(F)c2)cs1					5.0						
-OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1	7.09875										
-OCCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	7.6025										
-OCCCOc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											5.0
-OCCCOc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	6.7125										
-OCCNc1cc(N2CCc3c(cccc3)C2)nc2c1cccc2		8.46									
-OCCNc1ccnc(N2CCc3c(cccc3)C2)c1		8.7									
-OCCOCCNc1ncc2ncnc(NC3Cc4c(cccc4)C3)c2c1					5.523	8.52					
-OCCSc1nc(NC2Cc3c(cccc3)C2)c2CCCCc2n1					5.041	7.55					
-OCC[n+]1ccc2c(c1)c1c(cccc1)n2CCCCCCCCCn1c2ccccc2c2c1cc[n+](CCO)c2		5.84									
-OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.18										
-OCc1ccc2CCC(NCCCCc3ccccc3)CCc2c1		6.73									
-OCc1ccc2CCC(NCCCc3ccccc3)CCc2c1		7.0									
-OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1	7.15										
-OCc1nc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)ccc1											5.569
-ON=C(NC1CCCCC1)NC1CCCCC1		5.0									
-ON=c1cc(-c2cc3c(cccc3)[nH]2)oc2c1cccc2											4.523
-ON=c1cc(-c2cc3c(cccc3)o2)oc2c1cccc2											4.523
-ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCCc1cccnc1)cc2											7.3
-ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCC(F)(F)CC1)cc2											6.82
-ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCCC1)cc2											5.63
-ON=c1cc(-c2cc3cccn3cn2)oc2c1cc(OCCN1CCOCC1)cc2											7.25
-ON=c1cc(-c2cc3cccn3cn2)oc2c1cccc2											6.96
-ON=c1cc(-c2ccc3ncccc3c2)oc2c1cccc2											5.16
-ON=c1cc(-c2cn3cccc3cn2)oc2c1cccc2											6.55
-ON=c1cc(-c2cnc3ccccc3c2)oc2c1cccc2											5.4
-ON=c1cc(-c2ncc3[nH]ccc3c2)oc2c1cccc2											7.3
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(Br)cc2											6.16
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(C(F)(F)F)cc2											5.61
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(C1CC1)cc2											6.0
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1cc(OC(F)(F)F)cc2											5.79
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1ccc(Br)c2											5.76
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1ccc(CCc1ccccc1)c2											5.76
-ON=c1cc(-c2ncc3ccccc3c2)oc2c1cccc2											6.51
-ON=c1cc(-c2ncc3cccnc3c2)oc2c1cccc2											6.62
-ON=c1cc(-c2ncc3ccncc3c2)oc2c1cccc2											5.9
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCC(F)(F)C1)cc2											7.6
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCC(F)(F)CC1)cc2											6.97
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(CCCN1CCOCC1)cc2											7.1
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(NC1CCN(c3ccncn3)CC1)cc2											7.28
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OC1CCN(c3ccncn3)C1)cc2											7.77
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OC1CN(c3cccnc3)C1)cc2											8.4
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OCCN1CCC(F)(F)CC1)cc2											7.05
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cc(OCCN1CCOCC1)cc2											7.46
-ON=c1cc(-c2ncc3ccsc3c2)oc2c1cccc2											6.7
-ON=c1cc(-c2ncc3sccc3c2)oc2c1cccc2											6.89
-ON=c1cc(C=Cc2ccccc2)oc2c1cccc2											4.85
-Oc1c(-c2c(O)c(Br)cc(Br)c2)cc(Br)cc1Br	6.145										
-Oc1c(-c2cc(F)cc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.7						
-Oc1c(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cccc1					6.54						
-Oc1c(CN2CCCCC2)c2c(cc1)[nH]cn2		4.3									
-Oc1c(CN2CCOCC2)c2c(cc1)[nH]c(-c1ccccc1)n2		7.4									
-Oc1c(Cc2ccccc2)cnc2c(-c3ncccc3)cnn12	6.74										
-Oc1c(O)cc2nc(O)c(O)nc2c1		4.0									
-Oc1c(O)nc2c(Cl)c(Cl)c(Cl)cc2n1		7.5200000000000005									
-Oc1c(O)nc2c(Cl)cc(Cl)cc2n1		6.55									
-Oc1c(O)nc2c(F)c(Cl)c(F)cc2n1		6.2									
-Oc1c(O)nc2c(F)c(F)c(F)c(F)c2n1		6.14									
-Oc1c(O)nc2ccccc2n1		5.01									
-Oc1c2C=NC3CCCC3c2nn1-c1ccc(Cl)cc1	9.155										
-Oc1c2C=NC3CCCCCC3c2nn1-c1ccc(Cl)cc1	8.67										
-Oc1c2C=NC3CCN(CC4CC4)CC3c2nn1-c1ccc(Cl)cc1	8.74										
-Oc1c2C=NC3CCN(Cc4ccncc4)CC3c2nn1-c1ccc(Cl)cc1	9.495000000000001										
-Oc1c2C=NC3CCOCC3c2nn1-c1ccc(OC(F)F)cc1	8.5										
-Oc1c2C=NC3CCSCC3c2nn1-c1ccc(OC(F)F)cc1	9.235										
-Oc1c2CCCCc2c(O)n1-c1cc(Cl)cc(Cl)c1											5.481
-Oc1c2CCNCCc2no1	4.8										
-Oc1c2ccc(C#Cc3ccccc3)cc2c[nH]1					7.53						
-Oc1c2ccc(C#Cc3ccccc3)cc2ccn1					6.74						
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(Cl)cc1	9.215										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(F)cc1	9.364999999999998										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)(F)F)cc1	8.23										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC(F)F)cc1	8.825										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CC2)cc1	8.805										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ccc(OC2CCC2)cc1	8.74										
-Oc1c2cnc3c(CCCC3)c2nn1-c1ncccc1	9.09										
-Oc1c2cnc3c(cc(Br)cc3)c2nn1-c1ccccc1	9.788										
-Oc1c2cnc3c(cc(Cl)cc3)c2nn1-c1ccccc1	9.290000000000001										
-Oc1c2cnc3c(cccc3)c2nn1-c1ccc(Br)cc1	9.062000000000001										
-Oc1c2sc(C#Cc3ccccc3)nc2cn1C1CCCC1					8.602						
-Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3)CC1)n2		8.54									
-Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3c(F)cccc3F)CC1)n2		8.385									
-Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3cc(F)ccc3)CC1)n2		7.87									
-Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccc(F)cc3)CC1)n2		8.218									
-Oc1cc2c(cc1)[nH]c(CN1CCC(Cc3ccccc3)CC1)n2		8.1									
-Oc1cc2c(cc1)[nH]c(Cc1ccc(Oc3ccccc3)cc1)n2		8.265									
-Oc1cc2c(cc1)[nH]c1c2cc[n+](CCCCC[n+]2cc3c(cc2)c2c(ccc(O)c2)[nH]3)c1		4.64									
-Oc1ccc(C#CCCN2CCC(Cc3ccccc3)CC2)cc1		5.0									
-Oc1ccc(C(O)CCN2CCC(Cc3ccccc3)CC2)cc1		8.42									
-Oc1ccc(CC(O)CN2CCC(Cc3ccccc3)CC2)cc1		8.42									
-Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Br)cc3)CC2)cc1		7.95									
-Oc1ccc(CC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1		7.82									
-Oc1ccc(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1		7.65									
-Oc1ccc(Nc2c3ncccc3n[nH]2)cc1Cl											6.66
-Oc1ccc(Nc2c3ncccc3n[nH]2)cc1F											6.46
-Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1		5.153333333333333									
-Oc1ccc2CCC(NCCCCc3ccccc3)CCc2c1		7.68									
-Oc1ccc2CCC(NCCCc3ccccc3)CCc2c1		7.55									
-Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1ccco1		5.199999999999999									
-Oc1ccc2[nH]c(-c3c(F)c(F)ccc3)nc2c1CNCc1cccs1		5.25									
-Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CN1CCCC1		6.1									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1		5.699999999999999									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1		6.199999999999999									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCC1		7.55									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCCCC1		6.199999999999999									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCOCC1		4.3									
-Oc1ccc2[nH]c(-c3ccccc3)nc2c1CNC1CCCC1		5.9									
-Oc1ccc2[nH]c(Cc3ccccc3)nc2c1CN1CCCC1		5.05									
-Oc1ccc2c(-c3cn(-c4ccccc4)nc3)ccnc2c1											5.0
-Oc1ccc2c(c1)CCN(C1CCC(c3ccccc3)CC1)CC2O		7.15									
-Oc1ccc2c(c1)CCN(C1CCC3(CC1)OCCO3)CC2O		6.0									
-Oc1ccc2c(c1)CCN(C1COC(c3ccccc3)OC1)CC2O		6.0									
-Oc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O		7.3535			6.25						
-Oc1ccc2c(c1)CCN(CCCOc1ccccc1)CC2O		7.7									
-Oc1cccc2c1nc(Cc1ccc(Oc3ccccc3)cc1)[nH]2		6.835									
-Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	6.78										
-Oc1coc2c1ccc(C#Cc1ccccc1)c2					7.04						
-Oc1nc(-c2ccccn2)nc2c1ccc(Cl)c2											5.0
-Oc1nc2c(CCCC2)n1-c1nc2c(cc(F)cc2)o1	7.330000000000001										
-Oc1nc2c(CCCC2)n1-c1nc2c(ccc(F)c2)o1	7.580000000000001										
-Oc1nc2c(CCCC2)n1-c1nc2c(cccc2)o1	7.25										
-Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)c(F)cc2	7.68										
-Oc1nc2c(CCCC2)n1-c1nc2c(o1)c(F)ccc2	7.28										
-Oc1nc2c(CN(CC3CC3)CC2)c2nc(-c3c(F)cccc3)cn12	6.55										
-Oc1nc2c(CN(CC3CCCCC3)CC2)c2nc(-c3c(F)cccc3)cn12	6.7275										
-Oc1nc2c(CN(Cc3c[nH]cn3)CC2)c2nc(-c3c(F)cccc3)cn12	6.5										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cc(F)cc3)cn12	6.6274999999999995										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)ccc(F)c3)cn12	7.085000000000001										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3c(F)cccc3)cn12	7.57										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3cc(F)ccc3)cn12	6.865										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)cn12	6.74										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3)cn12	7.255										
-Oc1nc2c(CN(Cc3ccccc3)CC2)c2nc(-c3ccccc3-c3cccs3)cn12	6.369999999999999										
-Oc1nc2c(CN(Cc3cccs3)CC2)c2nc(-c3c(F)cccc3)cn12	6.75										
-Oc1nc2c(CN(Cc3ccncc3)CC2)c2nc(-c3c(F)cccc3)cn12	7.253333333333334										
-Oc1nc2c(CN(Cc3cnccc3)CC2)c2nc(-c3c(F)cccc3)cn12	7.296666666666667										
-Oc1nc2c(CN(c3ncccn3)CC2)c2nc(-c3c(F)cccc3)cn12	7.005										
-Oc1nc2c(cc(C#CCCN3CCC(Cc4ccccc4)CC3)cc2)o1		5.665									
-Oc1nc2c(cc(C#CCN3CCC(Cc4ccccc4)CC3)cc2)o1		7.31									
-Oc1nc2c(cc(Cl)c(Cl)c2)nc1O		6.89									
-Oc1nc2c(cc(Cl)cc2)nc1O		5.75									
-Oc1nc2c(cc(Cl)cn2)c(O)c1-c1cc(Oc2ccccc2)ccc1		4.72									
-Oc1nc2c(cc(Cl)cn2)c(O)c1-c1ccccc1		4.0									
-Oc1nc2c(cc(F)cc2)n1-c1nc2c(cccc2)o1	7.239999999999999										
-Oc1nc2c(cc(F)cc2)n1-c1nc2c(o1)c(F)ccc2	7.82										
-Oc1nc2c(cc3CCCc3c2)nc1O		4.82									
-Oc1nc2c(cc3OCOc3c2)nc1O		4.0									
-Oc1nc2c(cc3ccccc3c2)nc1O		4.8									
-Oc1nc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)[nH]1		5.73									
-Oc1nc2c(ccc(C#CCN3CCC(Cc4cc(F)ccc4)CC3)c2)[nH]1		8.21									
-Oc1nc2c(ccc(C#CCN3CCC(Cc4ccc(Cl)cc4)CC3)c2)[nH]1		7.72									
-Oc1nc2c(ccc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)c2)[nH]1		6.255									
-Oc1nc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)[nH]1		6.37									
-Oc1nc2c(ccc(C#CCN3CCC(O)(Cc4ccccc4)CC3)c2)[nH]1		7.72									
-Oc1nc2c(ccc(F)c2)n1-c1nc2c(cc(F)cc2)o1	7.599999999999999										
-Oc1nc2c(ccc(F)c2)n1-c1nc2c(cccc2)o1	7.5										
-Oc1nc2c(ccc(F)c2)n1-c1nc2c(o1)c(F)ccc2	7.849999999999999										
-Oc1nc2c(cccc2)c2nc(-c3ccccc3)nn12	8.4										
-Oc1nc2c(cccc2)n1-c1nc2c(cc(F)cc2)o1	7.05										
-Oc1nc2c(cccc2)n1-c1nc2c(ccc(F)c2)o1	6.79										
-Oc1nc2c(cccc2)n1-c1nc2c(cccc2)o1	7.27										
-Oc1nc2c(cccc2)n1-c1nc2c(cccc2)s1	5.0										
-Oc1nc2c(cccc2)n1-c1nc2c(cccn2)o1	7.36										
-Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)c(F)cc2	7.7										
-Oc1nc2c(cccc2)n1-c1nc2c(o1)c(F)ccc2	7.41										
-Oc1nc2c(cccn2)c(O)c1-c1cc(Oc2ccccc2)ccc1		4.51									
-Oc1nc2c(cccn2)c(O)c1-c1ccccc1		4.0									
-Oc1nc2c(ccnc2)c(O)c1-c1cc(Oc2ccccc2)ccc1		5.2700000000000005									
-Oc1nc2c(cncc2)c(O)c1-c1cc(Oc2ccccc2)ccc1		4.7									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1c(Cl)cccc1		4.62									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Cl)ccc1		5.5200000000000005									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cc(Oc2ccccc2)ccc1		6.96									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccc(Cl)cc1		4.89									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1ccccc1		5.4799999999999995									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cccs1		5.01									
-Oc1nc2c(ncc(Cl)c2)c(O)c1-c1cscc1		5.37									
-Oc1nc2c(ncc(Cl)c2)c(O)c1Oc1cc(-c2ccccc2)ccc1		7.64									
-Oc1nc2c(nccc2)c(O)c1-c1ccccc1		4.0									
-Oc1nc2c(nccc2)n1-c1nc2c(cccc2)o1	6.14										
-Oc1noc(C2CCNCC2)c1	4.96										
-Oc1noc(C2CCNCC2)c1-c1cc(-c2ccccc2)ccc1	7.56										
-Oc1noc(C2CCNCC2)c1-c1cc(Cl)cc(Cl)c1	7.17										
-Oc1noc(C2CCNCC2)c1-c1cc2c(cccc2)cc1	6.85										
-Oc1noc(C2CCNCC2)c1-c1ccc(-c2ccccc2)cc1	7.15										
-Oc1noc(C2CCNCC2)c1-c1ccc(Cl)cc1	6.69										
-Oc1noc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1	8.1										
-Oc1noc(C2CCNCC2)c1-c1cccc(Cl)c1	7.32										
-Oc1noc(C2CCNCC2)c1-c1cccc2ccccc12	6.48										
-Oc1noc(C2CCNCC2)c1-c1ccccc1	6.8										
-Oc1noc(C2CCNCC2)c1-c1ccccc1Cl	6.89										
-Oc1noc(C2CCNCC2)c1-c1cccnc1	6.345										
-Oc1noc(C2CCNCC2)c1-c1csc(-c2ccccc2)c1	8.045										
-Oc1noc(C2CCNCC2)c1-c1cscc1	7.12										
-Oc1noc(C2CCNCC2)c1C(Br)c1cc2c(cccc2)cc1	7.38										
-Oc1noc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1	7.7										
-Oc1noc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1	6.087999999999999										
-Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1	6.7										
-Oc1noc2c1CCNC2	4.85										
-Oc1nsc(C2CCNCC2)c1	4.59										
-Oc1nsc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1	6.14										
-Oc1nsc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1	8.92										
-Oc1nsc(C2CCNCC2)c1Cc1c(Br)c2c(cccc2)cc1	8.525										
-Oc1nsc(C2CCNCC2)c1Cc1cc2c(cccc2)cc1	7.66										
-Oc1nsc(C2CCNCC2)c1Cc1ccccc1	6.33										
-On1cc(C2CCNCC2)c(-c2c[nH]c(-c3ccccc3)n2)n1	5.01										
-On1cc(C2CCNCC2)c(-c2c[nH]cn2)n1	4.51										
-On1cc(C2CCNCC2)c(-c2ccc(-c3ccccc3)cc2)n1	5.85										
-On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1	6.678										
-On1cc(C2CCNCC2)c(-c2ccccc2)n1	5.725										
-On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1	6.675										
-On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1	6.775										
-On1cc(C2CCNCC2)c(Cc2ccccc2)n1	5.08										
-On1nc(-c2ccccc2)c(C2CCNCC2)c1Cc1ccc2ccccc2c1	5.5										
-On1ncc(C2CCNCC2)c1-c1c[nH]c(-c2ccccc2)n1	6.16										
-On1ncc(C2CCNCC2)c1-c1cccc(-c2ccccc2)c1	7.62										
-On1ncc(C2CCNCC2)c1-c1ccccc1	6.815										
-On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1	6.105										
-On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1	6.1										
-On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br	6.32										
-S=C=Nc1ncc2[nH]c3c(cccc3)c2c1	6.2926										
-Sc1nc2c(ccc(C#CCCN3CCC(Cc4ccccc4)CC3)c2)[nH]1		5.435									
-Sc1nc2c(ccc(C#CCN3CCC(Cc4ccccc4)CC3)c2)[nH]1		6.2									
-Sc1nccc(C=Cc2ccccc2)n1											5.11
-[C-]#[N+]c1ccc(-c2cnnc3c2ncn3CC)cc1-c1ccc(S(=O)(=O)CC)cc1OC	7.39										
-[C-]#[N+]c1ccc(CCc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1							7.89				
-[N-]=[N+]=NC1C2C(C(=O)O)C2C(N)(C(=O)O)C1OCc1ccc(Cl)c(Cl)c1							7.46			7.27	
-[N-]=[N+]=NC1CC(N)(C(=O)O)C2C(C(=O)O)C12			4.915	5.979			8.029			7.817	
-[N-]=[N+]=Nc1ccc2NC(=O)CN=C(c3c(N=[N+]=[N-])cccc3)c2c1	5.6975										
-[O-][S+](CCN1CCC(Cc2ccc(F)cc2)CC1)c1cc2c(cc1)nc(O)o2		8.252857142857144									
-[O-][S+](c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1)C(F)(F)F	8.38										
-[O-][n+]1nc2c(I)cnn2c2c1ccc(NCc1cnccc1)c2	8.475										
-c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cnc1											5.0
-c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n[nH]1											5.497999999999999
-c1cc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc(N2CCCC2)c1											5.0
-c1cc(Nc2nc3c(CCc4n[nH]cc4-3)s2)ccn1											5.0
-c1cc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cnc1											5.0
-c1cc2c(cc1)c(NCCCCCCCNc1c3CCCCc3nc3ccccc13)c1CCCCc1n2	5.22										
-c1cc2c(cc1)c1c([nH]2)c2c(cn1)[nH]c1c2cccc1	8.4525										
-c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		5.665									
-c1cc2c(cc1)c1c(c[n+](CCCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		5.13									
-c1cc2c(cc1)c1c(c[n+](CCCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		5.135000000000001									
-c1cc2c(cc1)c1c(c[n+](CCCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		4.89									
-c1cc2c(cc1)c1c(c[n+](CCCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		5.34									
-c1cc2c(cc1)c1c(c[n+](CCCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		4.98									
-c1cc2c(cc1)c1c(c[n+](CCCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		5.262666666666667									
-c1cc2c(cc1)c1c(c[n+](CCCCC[n+]3cc4c(cc3)c3c(cccc3)[nH]4)cc1)[nH]2		4.74									
-c1cc2c(cc1)c1c(cnc3c1[nH]c1cccnc13)[nH]2	6.458										
-c1cc2c(cc1)c1c(cncc1)[nH]2	5.79										
-c1cc2n[nH]c(NCC3CCCCC3)c2nc1											5.28
-c1cc2n[nH]c(Nc3cc4n[nH]c(C5CC5)c4cc3)c2nc1											6.34
-c1cc2n[nH]c(Nc3cncnc3)c2nc1											5.05
-c1cc2n[nH]c(Nc3nccs3)c2nc1											5.0
-c1ccc(-c2cc(-c3ccccc3)nnc2)cc1	7.4433333333333325										
-c1ccc(-c2cc3nnc(-c4ccccc4)n3nc2OCc2ccccn2)cc1	8.746666666666668										
-c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5c4cccn5)CC3)cc2)cc1		5.0									
-c1ccc(-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					6.48						
-c1ccc(-c2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					6.01						
-c1ccc(-c2nc3c(cccc3CN3CCCCC3)[nH]2)cc1		5.35									
-c1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c(-c3ccccc3)c2)cc1					6.48						
-c1ccc(-c2nnc3c4c(CCCC4)c(OCc4ncccc4)nn23)cc1	8.895										
-c1ccc(-c2nnc3c4c(CCCCC4)c(OCc4ncccc4)nn23)cc1	7.875										
-c1ccc(-c2nnc3c4c(c(CNc5ncccc5)nn23)C2CCC4CC2)cc1	6.0										
-c1ccc(-c2nnc3c4c(c(COc5ncccc5)nn23)C2CCC4CC2)cc1	6.79										
-c1ccc(-c2nnc3c4c(c(OCCc5ncccc5)nn23)C2CCC4CC2)cc1	6.737500000000001										
-c1ccc(-c2nnc3c4c(c(OCc5ccc6OCOc6c5)nn23)C2CCC4CC2)cc1	6.301										
-c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1	6.301										
-c1ccc(-c2nnc3c4c(c(OCc5cccs5)nn23)C2CCC4CC2)cc1	6.301										
-c1ccc(-c2nnc3c4c(c(OCc5ccncc5)nn23)C2CCC4CC2)cc1	7.54										
-c1ccc(-c2nnc3c4c(c(OCc5cnccc5)nn23)C2CCC4CC2)cc1	7.445										
-c1ccc(-c2nnc3c4c(c(OCc5cscc5)nn23)C2CCC4CC2)cc1	6.301										
-c1ccc(-c2nnc3c4c(c(OCc5cscn5)nn23)C2CCC4CC2)cc1	7.9425										
-c1ccc(-c2nnc3c4c(c(OCc5n[nH]cn5)nn23)C2CCC4CC2)cc1	7.8100000000000005										
-c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)cc5)nn23)C2CCC4CC2)cc1	7.0375										
-c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)nc5)nn23)C2CCC4CC2)cc1	7.6375										
-c1ccc(-c2nnc3c4c(c(OCc5nc6c(cccc6)s5)nn23)C2CCC4CC2)cc1	6.56										
-c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1	8.065000000000001										
-c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc56)nn23)C2CCC4CC2)cc1	8.2925										
-c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCC4CC2)cc1	7.89925										
-c1ccc(-c2nnc3c4c(c(OCc5ncccc5)nn23)C2CCCC4CC2)cc1	7.8925										
-c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1	7.6675										
-c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1	8.5425										
-c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1	7.4375										
-c1ccc(-c2nnc3c4c(c(OCc5nccnc5)nn23)C2CCC4CC2)cc1	8.2975										
-c1ccc(-c2nnc3c4c(c(OCc5nccs5)nn23)C2CCC4CC2)cc1	7.695										
-c1ccc(-c2nnc3c4c(c(OCc5ncncc5)nn23)C2CCC4CC2)cc1	8.379999999999999										
-c1ccc(-c2nnc3c4c(c(OCc5nnccc5)nn23)C2CCC4CC2)cc1	8.115										
-c1ccc(-c2nnc3c4c(c(OCn5cccn5)nn23)C2CCC4CC2)cc1	7.6375										
-c1ccc(-c2nnc3c4c(c(Oc5cnccc5)nn23)C2CCC4CC2)cc1	6.301										
-c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCCCC4)nn23)cc1	6.0										
-c1ccc(-c2nnc3c4c(cccc4)c(OCC4CCNCC4)nn23)cc1	7.4625										
-c1ccc(-c2nnc3c4c(cccc4)c(OCCc4ncccc4)nn23)cc1	7.734999999999999										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccco4)nn23)cc1	6.7625										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4cccs4)nn23)cc1	6.5649999999999995										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4ccncc4)nn23)cc1	8.755										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4cnccc4)nn23)cc1	7.6875										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4cocc4)nn23)cc1	7.6425										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4cscc4)nn23)cc1	6.415										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1	8.9925										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4nccnc4)nn23)cc1	9.0225										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4ncncc4)nn23)cc1	8.842500000000001										
-c1ccc(-c2nnc3c4c(cccc4)c(OCc4nnccc4)nn23)cc1	9.446666666666667										
-c1ccc(-c2nncc(-c3cccc(-n4cnnc4)c3)c2)cc1	7.654999999999999										
-c1ccc(-c2nncc(-c3ccnc(-c4ccncc4)n3)c2)cc1	8.733333333333334										
-c1ccc(-c2noc(-c3cccc(-n4nnc(-c5ncccc5)n4)c3)c2)cc1					6.05						
-c1ccc(-n2cc(-c3c4ccccc4n[nH]3)cn2)cc1											5.62
-c1ccc(-n2cc(-c3c[nH]c4ccccc34)cn2)cc1											5.601
-c1ccc(-n2cc(-c3ccnc4c3CCC4)cn2)cc1											5.64
-c1ccc(-n2cc(-c3ccnc4c3cc[nH]4)cn2)cc1											5.57
-c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCCC3)c4)cn2)cc1											5.0
-c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCCCC3)c4)cn2)cc1											5.0
-c1ccc(-n2cc(-c3ccnc4c3ccc(OCCCN3CCOCC3)c4)cn2)cc1											5.551
-c1ccc(-n2cc(-c3ccnc4c3ccc(OCCN3CCCCC3)c4)cn2)cc1											5.221
-c1ccc(-n2cc(-c3ccnc4c3ccc(OCCN3CCOCC3)c4)cn2)cc1											5.747999999999999
-c1ccc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1											6.66
-c1ccc(-n2cc(-c3ccnc4cc(OCCN5CCCC5)ccc34)cn2)cc1											5.0
-c1ccc(-n2cc(-c3ccncc3)cn2)cc1											5.0
-c1ccc(-n2cc(-c3ncnc4ccccc34)cn2)cc1											5.46
-c1ccc(C(CNCCCCCCNCCCCCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1		8.38									
-c1ccc(C(CNCCCCCCNCCCCCCCCNCCCCCCNCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1		7.96									
-c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1									6.8		
-c1ccc(C2(N3CCCCC3)CCCCC2)cc1		7.422285714285714									
-c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1		7.865									
-c1ccc(C2CCC(NC3CCc4c(cccc4)CC3)CC2)cc1		8.44									
-c1ccc(C2CCN(C3CCc4c(cccc4)CC3)CC2)cc1		8.16									
-c1ccc(CC2CCN(C3CCc4c(cccc4)CC3)CC2)cc1		8.54									
-c1ccc(CC2CCN(CCCSc3ccccc3)CC2)cc1		4.48									
-c1ccc(CC2CCN(CCCSc3n[nH]cn3)CC2)cc1		4.83									
-c1ccc(CC2CCN(CCCSc3nc4c(cccc4)[nH]3)CC2)cc1		4.826666666666667									
-c1ccc(CC2CCN(CCCSc3nc4c(nccc4)[nH]3)CC2)cc1		4.6000000000000005									
-c1ccc(CC2CCN(CCCSc3ncc[nH]3)CC2)cc1		4.773333333333333									
-c1ccc(CC2CCN(CCSc3ccccc3)CC2)cc1		4.676666666666667									
-c1ccc(CC2CCN(CCSc3n[nH]cn3)CC2)cc1		4.963333333333334									
-c1ccc(CC2CCN(CCSc3nc4c(cccc4)[nH]3)CC2)cc1		4.846666666666667									
-c1ccc(CC2CCN(CCSc3nc4c(nccc4)[nH]3)CC2)cc1		4.873333333333334									
-c1ccc(CC2CCN(CCSc3ncc[nH]3)CC2)cc1		5.053333333333334									
-c1ccc(CC2CCN(Cc3nc4c(cccc4)[nH]3)CC2)cc1		6.265									
-c1ccc(CCCCNC2CCc3c(CC2)nccc3)cc1		6.83									
-c1ccc(CCCCNC2CCc3c(cccc3)CC2)cc1		7.77									
-c1ccc(CCCN2CCC(CNc3ncccn3)CC2)cc1		6.58									
-c1ccc(CCCNC2CCc3c(CC2)nccc3)cc1		6.52									
-c1ccc(CCCNC2CCc3c(cccc3)C2)cc1		6.79									
-c1ccc(CCCNC2CCc3c(cccc3)CC2)cc1		7.8									
-c1ccc(CCCNC2Cc3c(cccc3)C2)cc1		6.93									
-c1ccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.225										
-c1ccc(CCNC2CCc3c(cccc3)CC2)cc1		7.7									
-c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.14										
-c1ccc(CNC2CCc3c(CC2)nccc3)cc1		6.0									
-c1ccc(CNC2CCc3c(cccc3)CC2)cc1		7.24									
-c1ccc(CNc2ccnc(N3CCc4c(cccc4)C3)c2)cc1		6.82									
-c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.0										
-c1ccc(COc2ccc(CCNc3ccncc3)cc2)cc1		5.8580000000000005									
-c1ccc(COc2ccc3c(-c4cn(-c5ccccc5)nc4)ccnc3c2)cc1											6.192
-c1ccc(COc2ccc3c(c2)[nH]c2c3ncc3c2c2c(cccc2)[nH]3)cc1	5.482										
-c1ccc(COc2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					6.35						
-c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	7.4125000000000005										
-c1ccc(COc2ncc3[nH]c4c(cccc4)c3c2)cc1	5.763333333333333										
-c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	6.24										
-c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	7.29										
-c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.0										
-c1ccc(Cc2nnc3c4c(cccc4)c(OCc4ncccc4)nn23)cc1	6.88										
-c1ccc(Cn2ccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	9.059999999999999										
-c1ccc(Cn2nnc3c2cccc3)cc1							5.52				
-c1ccc(N2CCN(C3CCc4c(cccc4)CC3)CC2)cc1		7.92									
-c1ccc(N2CCc3c(C2)nc(-c2ccccn2)o3)cc1					6.481						
-c1ccc(Nc2c3ncccc3n[nH]2)cc1											5.84
-c1ccc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc1											8.048
-c1ccc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cc1											5.659
-c1ccc(OCc2cnc3NCCOc3c2)cc1					6.43						
-c1ccc(Oc2ccc(Cc3nc4c(cccc4)[nH]3)cc2)cc1		6.64									
-c1ccc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					5.84						
-c1ccc(Oc2ccccc2-c2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					6.35						
-c1ccc(Oc2nn3c(-c4ccccc4)nnc3c3c2cccc3)cc1	6.0										
-c1ccc2c(-c3c[nH]nc3)ccnc2c1											5.0
-c1ccc2c(c1)-c1c(cncn1)Cc1cncn-21	6.39										
-c1ccc2c(c1)-c1ncnn1Cc1cncn-21	8.19										
-c1ccc2c(c1)Cc1c(cccc1)-n1c-2nnc1N1CCNCC1	6.62										
-c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(cncc1)[nH]2	7.056										
-c1ccc2c(c1)[nH]c1c2c2c(nc1)c1c(nccc1)[nH]2	7.218000000000001										
-c1ccc2c(c1)[nH]c1c2c2c(nc1)n1ccccc1n2	6.138599999999999										
-c1ccc2c(c1)[nH]c1c2cc[n+](CCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1		4.685									
-c1ccc2c(c1)[nH]c1c2cc[n+](CCOCCOCCOCC[n+]2cc3c(cc2)c2c(cccc2)[nH]3)c1		4.21									
-c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2	5.71										
-c1ccc2ncc(Nc3c4ncccc4n[nH]3)cc2c1											6.02
-c1cnc(-c2nn(-c3cc(-c4ccco4)ccc3)nn2)cc1					5.52						
-c1cnc(-c2nn(-c3cc(-c4ccncc4)ccc3)nn2)cc1					5.68						
-c1cnc(-c2nn(-c3cc(-c4cnccc4)ccc3)nn2)cc1					7.2						
-c1cnc(-c2nn(-c3cc(Oc4cnccc4)ccc3)nn2)cc1					7.52						
-c1cnc(-c2nn(-c3ccc(Oc4cnccc4)cc3)nn2)cc1					6.13						
-c1cnc(-c2nn(-c3ccccc3Oc3cnccc3)nn2)cc1					5.8						
-c1cnc(-n2cc(-c3ccnc4c3cccc4)cn2)cc1											5.68
-c1cnc(C2(N3CCCCC3)CCCCC2)cc1		5.349999999999999									
-c1cnc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)cc1	7.2725										
-c1cnc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)cc1	6.755										
-c1cnc(COc2nn3c(-c4cnccc4)nnc3c3c2C2CCC3CC2)cc1	7.46										
-c1cnc(COc2nn3c(-c4cscc4)nnc3c3c2C2CCC3CC2)cc1	7.4875										
-c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1	7.75										
-c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1	8.440000000000001										
-c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1	7.699999999999999										
-c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1	6.0										
-c1cnc(N2CCc3c(cccc3)C2)cc1		6.12									
-c1cnc(Nc2nc(-c3c[nH]nc3)cs2)cc1											6.39
-c1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)cn1											5.0
-c1cnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)nc1											8.118
-c1cnc(Nc2nc3c(CCc4n[nH]cc4-3)s2)cc1											6.659
-c1cnc(Nc2nc3c(CCc4n[nH]cc4-3)s2)nc1											7.189
-c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1					5.54						
-c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1	6.96										
-c1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1											5.37
-c1csc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1											5.0
-c1n[nH]c2c1-c1c(CCC2)sc(NC2CCCCC2)n1											5.888
-c1ncnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1											5.888
diff --git a/tutorial/data_preparation.ipynb b/tutorial/data_preparation.ipynb
deleted file mode 100644
index 7cf05101..00000000
--- a/tutorial/data_preparation.ipynb
+++ /dev/null
@@ -1,3794 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "# Data Preparation\n",
-    "\n",
-    "In this tutorial, you will learn how to prepare data sets with QSPRPred.\n",
-    "\n",
-    "## Data Representation (`PandasDataSet`)\n",
-    "\n",
-    "The package basically uses wrapped `pandas.DataFrame` objects with some useful functions added on top to facilitate features relevant for QSPR modeling. The `PandasDataSet` class is the  base class of all data sets in QSPRPred. Wrapping a `pandas.DataFrame` is easy:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 1,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>Q14643</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>Brc1cc(-c2nc(-c3ncccc3)no2)ccc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.93</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21</td>\n",
-       "      <td>8.400000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21</td>\n",
-       "      <td>8.110000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1</td>\n",
-       "      <td>8.013333</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1</td>\n",
-       "      <td>7.505000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6220</th>\n",
-       "      <td>c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1</td>\n",
-       "      <td>7.700000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6221</th>\n",
-       "      <td>c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1</td>\n",
-       "      <td>6.000000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6222</th>\n",
-       "      <td>c1cnc(N2CCc3c(cccc3)C2)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.12</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6223</th>\n",
-       "      <td>c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.54</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6224</th>\n",
-       "      <td>c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1</td>\n",
-       "      <td>6.960000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                             SMILES  GABAAalpha  NMDA  P41594  \\\n",
-       "0                   Brc1cc(-c2nc(-c3ncccc3)no2)ccc1         NaN   NaN    6.93   \n",
-       "1         Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21    8.400000   NaN     NaN   \n",
-       "2                Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21    8.110000   NaN     NaN   \n",
-       "3                  Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1    8.013333   NaN     NaN   \n",
-       "4                 Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1    7.505000   NaN     NaN   \n",
-       "...                                             ...         ...   ...     ...   \n",
-       "6220        c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1    7.700000   NaN     NaN   \n",
-       "6221  c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1    6.000000   NaN     NaN   \n",
-       "6222                     c1cnc(N2CCc3c(cccc3)C2)cc1         NaN  6.12     NaN   \n",
-       "6223       c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1         NaN   NaN    5.54   \n",
-       "6224     c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1    6.960000   NaN     NaN   \n",
-       "\n",
-       "      Q13255  Q14643  \n",
-       "0        NaN     NaN  \n",
-       "1        NaN     NaN  \n",
-       "2        NaN     NaN  \n",
-       "3        NaN     NaN  \n",
-       "4        NaN     NaN  \n",
-       "...      ...     ...  \n",
-       "6220     NaN     NaN  \n",
-       "6221     NaN     NaN  \n",
-       "6222     NaN     NaN  \n",
-       "6223     NaN     NaN  \n",
-       "6224     NaN     NaN  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 1,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "# load a sample data set on parkinson's disease\n",
-    "import pandas as pd\n",
-    "\n",
-    "df = pd.read_table('data/parkinsons_pivot.tsv')\n",
-    "df"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.data.data.PandasDataSet at 0x7f2eaf589240>"
-      ]
-     },
-     "execution_count": 2,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.data.data import PandasDataSet\n",
-    "\n",
-    "ds = PandasDataSet(df=df, store_dir=\"data\", name=\"parkinsons\")\n",
-    "ds"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "You can query this data set directly for simple information like the number of samples:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "6225"
-      ]
-     },
-     "execution_count": 3,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "len(ds)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "the saved properties/features:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "Index(['SMILES', 'GABAAalpha', 'NMDA', 'P41594', 'Q13255', 'Q14643', 'QSPRID'], dtype='object')"
-      ]
-     },
-     "execution_count": 4,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getProperties()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "You can also do some operations on the data frame, like shuffle it:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "ds.shuffle()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "or drop some columns:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "ds.removeProperty(\"Q14643\")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "However, you can always access the underlying data frame if more complex operations are needed:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 7,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4594</th>\n",
-       "      <td>N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O</td>\n",
-       "      <td>6.550</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4594</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1264</th>\n",
-       "      <td>CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1</td>\n",
-       "      <td>5.040</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1264</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_700</th>\n",
-       "      <td>CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N</td>\n",
-       "      <td>6.374</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_700</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3293</th>\n",
-       "      <td>Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(...</td>\n",
-       "      <td>6.660</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3293</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_915</th>\n",
-       "      <td>CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl</td>\n",
-       "      <td>5.039</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_915</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3665</th>\n",
-       "      <td>Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.96</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3665</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3730</th>\n",
-       "      <td>Cc1nc(C#Cc2cc(Cl)ccc2)nnc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>8.38</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3730</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2354</th>\n",
-       "      <td>COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.10</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2354</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3636</th>\n",
-       "      <td>Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2...</td>\n",
-       "      <td>8.425</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3636</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_49</th>\n",
-       "      <td>C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C...</td>\n",
-       "      <td>6.140</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_49</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_4594                 N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O   \n",
-       "parkinsons_1264          CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1   \n",
-       "parkinsons_700           CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N   \n",
-       "parkinsons_3293  Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(...   \n",
-       "parkinsons_915              CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl   \n",
-       "...                                                            ...   \n",
-       "parkinsons_3665            Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1   \n",
-       "parkinsons_3730                         Cc1nc(C#Cc2cc(Cl)ccc2)nnc1   \n",
-       "parkinsons_2354          COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1   \n",
-       "parkinsons_3636  Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2...   \n",
-       "parkinsons_49    C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C...   \n",
-       "\n",
-       "                 GABAAalpha  NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                              \n",
-       "parkinsons_4594       6.550   NaN     NaN     NaN  parkinsons_4594  \n",
-       "parkinsons_1264       5.040   NaN     NaN     NaN  parkinsons_1264  \n",
-       "parkinsons_700        6.374   NaN     NaN     NaN   parkinsons_700  \n",
-       "parkinsons_3293       6.660   NaN     NaN     NaN  parkinsons_3293  \n",
-       "parkinsons_915        5.039   NaN     NaN     NaN   parkinsons_915  \n",
-       "...                     ...   ...     ...     ...              ...  \n",
-       "parkinsons_3665         NaN   NaN    7.96     NaN  parkinsons_3665  \n",
-       "parkinsons_3730         NaN   NaN    8.38     NaN  parkinsons_3730  \n",
-       "parkinsons_2354         NaN   NaN    7.10     NaN  parkinsons_2354  \n",
-       "parkinsons_3636       8.425   NaN     NaN     NaN  parkinsons_3636  \n",
-       "parkinsons_49         6.140   NaN     NaN     NaN    parkinsons_49  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 7,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "df = ds.getDF()\n",
-    "df"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "It is always possible to wrap it again:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.data.data.PandasDataSet at 0x7f2e782e9f90>"
-      ]
-     },
-     "execution_count": 8,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds = PandasDataSet(df=df, store_dir=\"data\", name=\"parkinsons\")\n",
-    "ds"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_0</th>\n",
-       "      <td>N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O</td>\n",
-       "      <td>6.550</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1</th>\n",
-       "      <td>CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1</td>\n",
-       "      <td>5.040</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2</th>\n",
-       "      <td>CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N</td>\n",
-       "      <td>6.374</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3</th>\n",
-       "      <td>Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(...</td>\n",
-       "      <td>6.660</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4</th>\n",
-       "      <td>CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl</td>\n",
-       "      <td>5.039</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6220</th>\n",
-       "      <td>Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.96</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6220</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6221</th>\n",
-       "      <td>Cc1nc(C#Cc2cc(Cl)ccc2)nnc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>8.38</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6221</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6222</th>\n",
-       "      <td>COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.10</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6222</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6223</th>\n",
-       "      <td>Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2...</td>\n",
-       "      <td>8.425</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6223</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6224</th>\n",
-       "      <td>C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C...</td>\n",
-       "      <td>6.140</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6224</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_0                    N=c1ccc(-c2ccc(Cl)cc2)nn1CCCC(=O)O   \n",
-       "parkinsons_1             CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1   \n",
-       "parkinsons_2             CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2=CC#N   \n",
-       "parkinsons_3     Cc1ccc(C(=O)N2CCc3c(C2)c2nc(-c4c(F)cccc4)cn2c(...   \n",
-       "parkinsons_4                CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl   \n",
-       "...                                                            ...   \n",
-       "parkinsons_6220            Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1   \n",
-       "parkinsons_6221                         Cc1nc(C#Cc2cc(Cl)ccc2)nnc1   \n",
-       "parkinsons_6222          COc1cccc(C#Cc2nc(C)cn3cc(C(F)(F)F)cc23)c1   \n",
-       "parkinsons_6223  Cc1csc(-c2cc(-c3c(C)onc3C)c3-c4c(ccnc4)CCCn3c2...   \n",
-       "parkinsons_6224  C#Cc1cc2c(cc1)-n1cnc(C(=O)OCOCOC(=O)c3c4CN(C)C...   \n",
-       "\n",
-       "                 GABAAalpha  NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                              \n",
-       "parkinsons_0          6.550   NaN     NaN     NaN     parkinsons_0  \n",
-       "parkinsons_1          5.040   NaN     NaN     NaN     parkinsons_1  \n",
-       "parkinsons_2          6.374   NaN     NaN     NaN     parkinsons_2  \n",
-       "parkinsons_3          6.660   NaN     NaN     NaN     parkinsons_3  \n",
-       "parkinsons_4          5.039   NaN     NaN     NaN     parkinsons_4  \n",
-       "...                     ...   ...     ...     ...              ...  \n",
-       "parkinsons_6220         NaN   NaN    7.96     NaN  parkinsons_6220  \n",
-       "parkinsons_6221         NaN   NaN    8.38     NaN  parkinsons_6221  \n",
-       "parkinsons_6222         NaN   NaN    7.10     NaN  parkinsons_6222  \n",
-       "parkinsons_6223       8.425   NaN     NaN     NaN  parkinsons_6223  \n",
-       "parkinsons_6224       6.140   NaN     NaN     NaN  parkinsons_6224  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 9,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "### Data Indexing\n",
-    "\n",
-    "You might have noticed that when recreated again from a new data frame the \"QSPRID\" column was reset while the data still remained in the same order as after shuffling. This is because index gets automatically reset when a new `PandasDataSet` object is created. However, you can always set the index to a specific column when creating the data set:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_836</th>\n",
-       "      <td>CCc1c(Cl)cc2nc(O)c(O)nc2c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.850</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_836</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_70</th>\n",
-       "      <td>COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...</td>\n",
-       "      <td>6.77</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_70</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4516</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4516</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2176</th>\n",
-       "      <td>CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.921</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2176</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3597</th>\n",
-       "      <td>Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.510</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3597</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1967</th>\n",
-       "      <td>O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1967</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3057</th>\n",
-       "      <td>CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.935</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3057</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4446</th>\n",
-       "      <td>Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>4.800</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4446</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4071</th>\n",
-       "      <td>CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4071</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_255</th>\n",
-       "      <td>O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.150</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_255</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_836                          CCc1c(Cl)cc2nc(O)c(O)nc2c1   \n",
-       "parkinsons_70    COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...   \n",
-       "parkinsons_4516       Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_2176                     CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2   \n",
-       "parkinsons_3597                    Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1   \n",
-       "...                                                            ...   \n",
-       "parkinsons_1967   O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "parkinsons_3057                    CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1   \n",
-       "parkinsons_4446       Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1   \n",
-       "parkinsons_4071      CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1   \n",
-       "parkinsons_255                  O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1   \n",
-       "\n",
-       "                 GABAAalpha   NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                               \n",
-       "parkinsons_836          NaN  5.850     NaN     NaN   parkinsons_836  \n",
-       "parkinsons_70          6.77    NaN     NaN     NaN    parkinsons_70  \n",
-       "parkinsons_4516        9.66    NaN     NaN     NaN  parkinsons_4516  \n",
-       "parkinsons_2176         NaN    NaN   5.921     NaN  parkinsons_2176  \n",
-       "parkinsons_3597         NaN    NaN   5.510     NaN  parkinsons_3597  \n",
-       "...                     ...    ...     ...     ...              ...  \n",
-       "parkinsons_1967        7.25    NaN     NaN     NaN  parkinsons_1967  \n",
-       "parkinsons_3057         NaN  6.935     NaN     NaN  parkinsons_3057  \n",
-       "parkinsons_4446         NaN    NaN   4.800     NaN  parkinsons_4446  \n",
-       "parkinsons_4071         NaN    NaN   7.770     NaN  parkinsons_4071  \n",
-       "parkinsons_255          NaN    NaN   5.150     NaN   parkinsons_255  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 10,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.shuffle()\n",
-    "df = ds.getDF()\n",
-    "df"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
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-       "\n",
-       "    .dataframe tbody tr th {\n",
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-       "\n",
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-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_836</th>\n",
-       "      <td>CCc1c(Cl)cc2nc(O)c(O)nc2c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.850</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_836</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_70</th>\n",
-       "      <td>COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...</td>\n",
-       "      <td>6.77</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_70</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4516</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4516</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2176</th>\n",
-       "      <td>CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.921</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2176</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3597</th>\n",
-       "      <td>Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.510</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3597</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1967</th>\n",
-       "      <td>O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1967</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3057</th>\n",
-       "      <td>CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.935</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3057</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4446</th>\n",
-       "      <td>Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>4.800</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4446</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4071</th>\n",
-       "      <td>CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4071</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_255</th>\n",
-       "      <td>O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.150</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_255</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_836                          CCc1c(Cl)cc2nc(O)c(O)nc2c1   \n",
-       "parkinsons_70    COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...   \n",
-       "parkinsons_4516       Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_2176                     CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2   \n",
-       "parkinsons_3597                    Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1   \n",
-       "...                                                            ...   \n",
-       "parkinsons_1967   O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "parkinsons_3057                    CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1   \n",
-       "parkinsons_4446       Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1   \n",
-       "parkinsons_4071      CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1   \n",
-       "parkinsons_255                  O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1   \n",
-       "\n",
-       "                 GABAAalpha   NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                               \n",
-       "parkinsons_836          NaN  5.850     NaN     NaN   parkinsons_836  \n",
-       "parkinsons_70          6.77    NaN     NaN     NaN    parkinsons_70  \n",
-       "parkinsons_4516        9.66    NaN     NaN     NaN  parkinsons_4516  \n",
-       "parkinsons_2176         NaN    NaN   5.921     NaN  parkinsons_2176  \n",
-       "parkinsons_3597         NaN    NaN   5.510     NaN  parkinsons_3597  \n",
-       "...                     ...    ...     ...     ...              ...  \n",
-       "parkinsons_1967        7.25    NaN     NaN     NaN  parkinsons_1967  \n",
-       "parkinsons_3057         NaN  6.935     NaN     NaN  parkinsons_3057  \n",
-       "parkinsons_4446         NaN    NaN   4.800     NaN  parkinsons_4446  \n",
-       "parkinsons_4071         NaN    NaN   7.770     NaN  parkinsons_4071  \n",
-       "parkinsons_255          NaN    NaN   5.150     NaN   parkinsons_255  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 11,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds = PandasDataSet(df=df, store_dir=\"data\", name=\"parkinsons\", index_cols=[\"QSPRID\"])\n",
-    "ds.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Being aware of the index will help you track down the compounds and associated data further down the line so get used to it. You can always reset the index to a custom column as well:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 12,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "Index(['CCc1c(Cl)cc2nc(O)c(O)nc2c1',\n",
-       "       'COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1',\n",
-       "       'Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1',\n",
-       "       'CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2', 'Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1',\n",
-       "       'NC(CCCCCP(=O)(O)O)C(=O)O',\n",
-       "       'N#Cc1c(C2CC2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1',\n",
-       "       'COCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1',\n",
-       "       'Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1',\n",
-       "       'Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1',\n",
-       "       ...\n",
-       "       'COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21',\n",
-       "       'CCN1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2',\n",
-       "       'Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1',\n",
-       "       'O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)sc(O)n2',\n",
-       "       'OCc1ccc2CCC(NCCCc3ccccc3)CCc2c1',\n",
-       "       'O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12',\n",
-       "       'CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1',\n",
-       "       'Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1',\n",
-       "       'CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1',\n",
-       "       'O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1'],\n",
-       "      dtype='object', name='SMILES', length=6225)"
-      ]
-     },
-     "execution_count": 12,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.setIndex([\"SMILES\"])\n",
-    "ds.getDF().index"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "or even use multiple columns as index:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "MultiIndex([(                             'CCc1c(Cl)cc2nc(O)c(O)nc2c1', ...),\n",
-       "            ('COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=NC23)cccc1', ...),\n",
-       "            (           'Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1', ...),\n",
-       "            (                         'CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2', ...),\n",
-       "            (                        'Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1', ...),\n",
-       "            (                               'NC(CCCCCP(=O)(O)O)C(=O)O', ...),\n",
-       "            (         'N#Cc1c(C2CC2)c2c(nc1-c1ccccc1)[nH]nc2-c1ccccc1', ...),\n",
-       "            (          'COCC(NC(=O)c1nccs1)c1cc(Cl)c(Nc2ccc(C)nc2)nc1', ...),\n",
-       "            (                    'Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1', ...),\n",
-       "            (                    'Cc1c(NC(=N)Nc2c(C)cc(N)cc2)ccc(N)c1', ...),\n",
-       "            ...\n",
-       "            (                     'COc1cc2c(cc1)-n1cnc(C)c1Cn1ncnc-21', ...),\n",
-       "            (                      'CCN1CCc2c(C1)sc(C#Cc1cccc(F)c1)n2', ...),\n",
-       "            (              'Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1', ...),\n",
-       "            (              'O=C(c1nn2cc(Cl)cnc2c1)N1CCc2c(CC1)sc(O)n2', ...),\n",
-       "            (                        'OCc1ccc2CCC(NCCCc3ccccc3)CCc2c1', ...),\n",
-       "            (       'O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12', ...),\n",
-       "            (                        'CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1', ...),\n",
-       "            (           'Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1', ...),\n",
-       "            (          'CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1', ...),\n",
-       "            (                     'O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1', ...)],\n",
-       "           name='SMILES~QSPRID', length=6225)"
-      ]
-     },
-     "execution_count": 13,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.setIndex([\"SMILES\", \"QSPRID\"])\n",
-    "ds.getDF().index"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "### Parallelization\n",
-    "\n",
-    "The `PandasDataSet` class also provides a simple way to parallelize operations on the data frame. For example, you can easily apply a function to all rows of the data frame in parallel. All you need to do is initialize the `PandasDataSet` object with the number of CPUs you want to use:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 14,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_836</th>\n",
-       "      <td>CCc1c(Cl)cc2nc(O)c(O)nc2c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.850</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_836</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_70</th>\n",
-       "      <td>COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...</td>\n",
-       "      <td>6.77</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_70</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4516</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4516</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2176</th>\n",
-       "      <td>CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.921</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2176</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3597</th>\n",
-       "      <td>Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.510</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3597</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1967</th>\n",
-       "      <td>O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1967</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3057</th>\n",
-       "      <td>CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.935</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3057</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4446</th>\n",
-       "      <td>Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>4.800</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4446</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4071</th>\n",
-       "      <td>CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4071</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_255</th>\n",
-       "      <td>O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.150</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_255</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_836                          CCc1c(Cl)cc2nc(O)c(O)nc2c1   \n",
-       "parkinsons_70    COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...   \n",
-       "parkinsons_4516       Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_2176                     CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2   \n",
-       "parkinsons_3597                    Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1   \n",
-       "...                                                            ...   \n",
-       "parkinsons_1967   O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "parkinsons_3057                    CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1   \n",
-       "parkinsons_4446       Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1   \n",
-       "parkinsons_4071      CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1   \n",
-       "parkinsons_255                  O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1   \n",
-       "\n",
-       "                 GABAAalpha   NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                               \n",
-       "parkinsons_836          NaN  5.850     NaN     NaN   parkinsons_836  \n",
-       "parkinsons_70          6.77    NaN     NaN     NaN    parkinsons_70  \n",
-       "parkinsons_4516        9.66    NaN     NaN     NaN  parkinsons_4516  \n",
-       "parkinsons_2176         NaN    NaN   5.921     NaN  parkinsons_2176  \n",
-       "parkinsons_3597         NaN    NaN   5.510     NaN  parkinsons_3597  \n",
-       "...                     ...    ...     ...     ...              ...  \n",
-       "parkinsons_1967        7.25    NaN     NaN     NaN  parkinsons_1967  \n",
-       "parkinsons_3057         NaN  6.935     NaN     NaN  parkinsons_3057  \n",
-       "parkinsons_4446         NaN    NaN   4.800     NaN  parkinsons_4446  \n",
-       "parkinsons_4071         NaN    NaN   7.770     NaN  parkinsons_4071  \n",
-       "parkinsons_255          NaN    NaN   5.150     NaN   parkinsons_255  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 14,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds = PandasDataSet(df=df, store_dir=\"data\", name=\"parkinsons\", index_cols=[\"QSPRID\"], n_jobs=2)\n",
-    "df = ds.getDF()\n",
-    "df"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Now, all operations that are parallelized will be done in parallel. One example is the `apply` method that allows you to apply a function over a subset of rows of the data frame:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 15,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "14643055eccb468aaa8ea2d0afe25c98",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Parallel apply in progress for parkinsons.:   0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "3.715435422000155\n"
-     ]
-    }
-   ],
-   "source": [
-    "import time\n",
-    "\n",
-    "def add_one_slow(x):\n",
-    "    \"\"\" Emulate a slow function.\"\"\"\n",
-    "\n",
-    "    time.sleep(0.001) # 100ms delay\n",
-    "\n",
-    "    return f\"{x[1]}+{x[0]}\" # simply concatenate the values from the two columns in our subset\n",
-    "\n",
-    "now = time.perf_counter()\n",
-    "res = ds.apply(add_one_slow, subset=[\"SMILES\", \"QSPRID\"], axis=1)\n",
-    "print(time.perf_counter() - now)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 16,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "QSPRID\n",
-       "parkinsons_836             parkinsons_836+CCc1c(Cl)cc2nc(O)c(O)nc2c1\n",
-       "parkinsons_70      parkinsons_70+COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c...\n",
-       "parkinsons_4516    parkinsons_4516+Cn1ncnc1COc1nn2c(-c3c(F)cccc3F...\n",
-       "parkinsons_2176       parkinsons_2176+CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2\n",
-       "parkinsons_3597      parkinsons_3597+Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1\n",
-       "                                         ...                        \n",
-       "parkinsons_1967    parkinsons_1967+O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c...\n",
-       "parkinsons_3057      parkinsons_3057+CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1\n",
-       "parkinsons_4446    parkinsons_4446+Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2cc...\n",
-       "parkinsons_4071    parkinsons_4071+CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2...\n",
-       "parkinsons_255     parkinsons_255+O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1\n",
-       "Length: 6225, dtype: object"
-      ]
-     },
-     "execution_count": 16,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "res"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Compare this with the time it takes to do the same thing with only one CPU:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 17,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "6.986453019999317\n"
-     ]
-    }
-   ],
-   "source": [
-    "ds.nJobs = 1\n",
-    "now = time.perf_counter()\n",
-    "ds.apply(add_one_slow, subset=[\"SMILES\", \"QSPRID\"], axis=1)\n",
-    "print(time.perf_counter() - now)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "### Saving and Loading\n",
-    "\n",
-    "The `PandasDataSet` class also provides a simple way to save and load data sets. You can save the data set and any associated data to a directory. By default this is the current directory, but you can specify a different directory upon creation of the data set:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 18,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "'data/parkinsons_pandas_df.pkl'"
-      ]
-     },
-     "execution_count": 18,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds = PandasDataSet(df=df, store_dir=\"data\", name=\"parkinsons_pandas\", index_cols=[\"QSPRID\"])\n",
-    "ds.save()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Reloading the data set is easy as well. We just use its name to initialize a new `PandasDataSet` object:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 19,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
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-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_836</th>\n",
-       "      <td>CCc1c(Cl)cc2nc(O)c(O)nc2c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.850</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_836</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_70</th>\n",
-       "      <td>COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...</td>\n",
-       "      <td>6.77</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_70</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4516</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4516</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2176</th>\n",
-       "      <td>CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.921</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2176</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3597</th>\n",
-       "      <td>Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.510</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3597</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1967</th>\n",
-       "      <td>O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1967</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3057</th>\n",
-       "      <td>CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.935</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3057</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4446</th>\n",
-       "      <td>Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>4.800</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4446</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4071</th>\n",
-       "      <td>CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4071</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_255</th>\n",
-       "      <td>O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.150</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_255</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 6 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_836                          CCc1c(Cl)cc2nc(O)c(O)nc2c1   \n",
-       "parkinsons_70    COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...   \n",
-       "parkinsons_4516       Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_2176                     CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2   \n",
-       "parkinsons_3597                    Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1   \n",
-       "...                                                            ...   \n",
-       "parkinsons_1967   O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "parkinsons_3057                    CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1   \n",
-       "parkinsons_4446       Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1   \n",
-       "parkinsons_4071      CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1   \n",
-       "parkinsons_255                  O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1   \n",
-       "\n",
-       "                 GABAAalpha   NMDA  P41594  Q13255           QSPRID  \n",
-       "QSPRID                                                               \n",
-       "parkinsons_836          NaN  5.850     NaN     NaN   parkinsons_836  \n",
-       "parkinsons_70          6.77    NaN     NaN     NaN    parkinsons_70  \n",
-       "parkinsons_4516        9.66    NaN     NaN     NaN  parkinsons_4516  \n",
-       "parkinsons_2176         NaN    NaN   5.921     NaN  parkinsons_2176  \n",
-       "parkinsons_3597         NaN    NaN   5.510     NaN  parkinsons_3597  \n",
-       "...                     ...    ...     ...     ...              ...  \n",
-       "parkinsons_1967        7.25    NaN     NaN     NaN  parkinsons_1967  \n",
-       "parkinsons_3057         NaN  6.935     NaN     NaN  parkinsons_3057  \n",
-       "parkinsons_4446         NaN    NaN   4.800     NaN  parkinsons_4446  \n",
-       "parkinsons_4071         NaN    NaN   7.770     NaN  parkinsons_4071  \n",
-       "parkinsons_255          NaN    NaN   5.150     NaN   parkinsons_255  \n",
-       "\n",
-       "[6225 rows x 6 columns]"
-      ]
-     },
-     "execution_count": 19,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds = PandasDataSet(name=\"parkinsons_pandas\", store_dir=\"data\")\n",
-    "ds.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Data Representation (`MoleculeTable`)\n",
-    "\n",
-    "Next extension of the `PandasDataSet` class is the `MoleculeTable` class. While `PandasDataSet` is a completely general class that can be used for any data set, `MoleculeTable` is specifically designed for data sets that contain molecular structures. It is a subclass of `PandasDataSet` and adds some useful functions for molecules. For example, you can easily convert the SMILES strings to RDKit molecules in your table:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 20,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
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-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th>RDMol</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_0</th>\n",
-       "      <td>CCc1c(Cl)cc2nc(O)c(O)nc2c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.850</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_0</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAVsElEQVR4nO2de1QTZxqHX8JNQI0oaFEu3kFBVBQvVVGrVVdDt0dlexNPV9ocKS3Srdt0z7YHWk9telHRemm2Xc/qbrd7Yve0h/V6UFGxilRKBbzUCtJUQREFucSQkLz7xxeGQBAQ5ksmu+9z+INMJjNvZp58881M8vvcEBEIQmxkzi6A+N+ExCK4QGIRXCCxCC6QWAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAolFcIHEIrhAYhFcILEILpBYBBdILIILJBbBBRKL4AKJRXCBxCK4QGIRXCCxCC6QWAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAolFcIHEIrhAYhFcILEILpBYBBdILIILJBbBBRKL4AKJRXCBxCK4QGIRXCCxCC6QWAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAi+x6sx1ZxvPHq8/rrfoAWD9zfXH6o9xWhchQTx4LHTnnZ1vV7w9q+8sC1iK9EVZo7KuGq5O953OY12ENBFfrIuGi6/feP10+OlY31gAKNAXhPcJF30thMQRX6zsuuyF/RcyqwBgiu8U0VdBSB/x+1g6o26k18gOn7pouFhhqhB9jS7NJ59AWBhUVVkfZmTAxo1OLUgkxBdL7i6vt9TbTzejObE8cfyl8VurtprRLPp6u8/169cVCsXy5ctPnjzpxDIYDx6AXg/r17c+NBicWpDArVtQV9f60GRq89BigdraTl4tvlhRPlEn6k+Y0NRuugENoZ6h9833026kzb46u/hBseir7hK9Xv/hhx9GR0cfOHDgm2++WbBgQUZGhtFodHwltrzwApw9Czk5zq3Cht27ITgYFAqYOhUmTYLCQgCAY8dgwYLWea5cgfDOus7iixUvjx/oMfDZ68/mN+ZfMlzafmd7dXM1APjJ/L4d9W3WqKxQr9C8xryYKzHrbqxrsDSIXkCHmEymnTt3jh49+q233mpoaAgJCQkJCTGbze+++25sbGxeXp5jyugQb2/YvBmSk6GpyYlVtHDmDPzxj3D4MJw/D1evglIJCgXo9Y+6GPHF8nLzOj7m+ASfCRmVGWk30nRGHQJO95s+zGsYAMTL4y+Nv6QaokLAbVXboi9FH647LHoNtiDivn37xo8fn5KSUllZGRsbe/ToUZ1Op9PpTpw4ERERUVRU9Pjjj69evfrevXtcK+mE+HgYOxY++cRZ67fhn/+ENWsgKsr6MDkZ+vfvSXOKTuKHxh+mXp4KBQAFoLimuGG8wWMt2dnZkydPZu80IiJCq9VaLBbbGfR6fXp6upeXFwA89thje/bs4VGGPQYDZmbiyZP43nv45puIiGVlGBiIq1bhO+9gfT3eueOYQuxYvBi/+KLNlBUrMDMTDx1CuRyXLrX+xcXh4MGdLMZpYiGiyWLKvJ3Zt7AvFMCAHwdk3s40o1mshZ85c2bu3LlMqZCQEI1GYzKZbGd4//33S0pK2P8//fTT/Pnz2czLli0rLy8Xqwx7zGbUanHkSATAqVPx3XetYiHihg3o4YHvvINpaejvjxoNtv0UOITf/hZ37GgzZelS/Mtf8NAhjIzEwkLr37//LV2xGGVNZb/5+Tes6VpRvOLSpUu9XGBJSUlCQgKzZNCgQWq1+sGDB+3mOXLkCAB4enr++c9/1uv1iGixWPbs2TNo0CAA8PX1VavVzc3NvazEnuxsjI5GAATAyEjUaltbLERsasKICHz7bVyyxDrP/Pn400+iV9ERej1u24YGA/7pT7h6det0gwGDgvD0aTx0CKdObZ1+8aLUxWJk1WYFFwXHJMd4enqqVCp7FbpDeXm5Uql0d3cHgL59+6pUqtra2g7nrK2tTU1NZXOOHDny8OHDbHplZWViYiKTcuLEiefOnev5W2pLbi7OmWPVJSwMNRrs3FutFgcPRgD09ESVCg0GsQqxw2TCPXtw+HAEwC1bsKwM/f1x715sasKaGnz5ZZw5Ey0WVxULEWv0NUql0s3NDQDGjh17/Pjx7r+2qqpKpVJ5e3sDgJeXl1KpvHXrVpevKigomDLFemMgISHh9u3bbPqBAweGDx8OADKZTKlU1tXV9fAtISJifj4uXGhVKjAQ1erOLPnrX/Hbb63/19RgairKZAiAo0fj0aO9qaIjLBb8179wzBhrcVOmINvm33+PTz6JQUE4bBi+9BLevYuImJuLCQmtr712DWfP7mTZEhKLcfr06cjISGFnV1VVdT7/3bt3VSqVj48P8yAhIaGsrKz7qzOZTJmZmX379gUAf3//zMxMs9mMbTv1Q4cO3bdvXw/ey5UrVcuXo5sbAqC/P6rV2NjY2fy//op+fgiATz+Nv/5qnZibi+PHIwC6uWFionid+uxsnDLFqlR4OO7Zg2bROrgoQbEQ0Wg0ZmZm+vn5sZ2t0WgsHXViGxsb1Wr1gAEDAMDNzU2hUBQVFfVsjWVlZYsXL2Y2z5kz5+LFi2z6hQsXpk+3filDoVDodLpuLlCn0ymVSm9v31GjDL6+qFLhvXtdv8piQY0G+/dHAPT1RbXaerg0GDAjA729EQCHDMGvvmrq2du0kpeH8+dblQoORo0G257WiIIUxWKUlpYuWrSI7dS4uLjLly8LTxmNRo1GExQUxJ5duHDh+fPne79GrVY7ePBg1qlXqVQGgwERzWazRqPp378/APj5+XXZqa+qqlq3bp1wUH7nnW8qKx+tjIoKTEy07vfJkzE/3zr955+th9S4uNfmzZt35cqVR32DN0pKMD7euuiAANy0CXvUl+0O0hWLIezsPn36pKen6/V6rVY7evRoptT06dOPHTsm4upqampSU1NlMhkAjB49Ojs7m02vqKgQOvUxMTHff/+9/Wvr6+vVarVcLhcOyj///HOPK9m/H8PCEAA9PDA1FVk3z2LBv/+9NjAwkJ26fvDBB0ajsTtL++WXX5RKpaeHR31kJPr5oUqFDzmtEQupi4WI1dXVL774IuvU+/v7s70bFRX1rdDLFZvc3FzWz3Nzc0tMTLzT0q/JysoKDQ0FAA8Pj9TU1Pr6eja9qalJo9EMGTJEaEF/+OGH3pdRX49paejujgA4fDgeOVLDpt+9e1c4y5kwYcKZM2c6WUhlZWVKSgrrLHp7e+/LyMCuuq2i4AJiMU6dOhUUFBQaGhoYGKjRaHhcZLLFaDSq1eo+ffoAwMCBA4V+XmNjo0qlYtcpRowYcfDgQa1WO2LECKbUzJkzT5w4IW4lhYU4bRp6extGjoxQKBS/tvTq2f0owf677NzNhrq6OrVazQ7irAUtLS0Vt7ZOcBmxEPGVV14BgC1btjhsjdeuXXvyySeZNHPnzhW6Nfn5+ZMmTWI7jD07efLkgwcPciqjuRk///w7duo6YMCAXbt2sVPXBw8epKens/6c7f2oxsbGzMxMdsRkLeiFCxc41fYwXEmspKQkAPj8888Rsba2trS0tJdXmLqJVqtlO8nHxyc9Pb2pqQkRTSbT66+/7uPjM3DgwK+++qrD81ZxuXnz5ooVK5grjz/+eHFxMZtuez9q6dKlGzduHDp0KHs4a9asU6dO8S6sQ1xJrOeffx4AvvzyS0T8+OOPAWD9+vWOWXVVVVViYiLr1kyfPp01GLm5uWznOaYGRlZWVkhIiNDPa2hoQESz2bxr1y525YU1YLGxsVlZWY4srB2u9LtCvV4PAOxaqO3/DiAwMHDv3r2sW7Ny5Up2BHzw4AEA+Pr6OqYGRnx8fHFxcWpqKiJu27YtOjr6yJEjMpls7dq1ly5d8vf3b2pq2rFjx7lz5+Lj4x1ZWDtcSSzbHcn+d5hYjLi4uMLCwrS0NPbQwXILyOXyrVu3nj59Ojo6uqysbMmSJQUFBQAQFBTEinn66adZ4+pEuPyukBO2O9IprQUAsPNE23ocXwNjxowZ58+f37x5c0lJiXDH01mu2+NKYtnKJIUt6JRW0xZ2h8B2irM+b/a40qFQCi2WfT1S2IsMi8XS1NQkk8nY5VDn4kpiUYvVOcI2cXoHC1xLLGqxOkcK20TAlcSiFqtzpLBNBFxJLKm1WFITSwrbRMBlxDKZTM3NzR4eHp6eniCNT6fUDoVS2CYCLiNWu4+jFD6dUqjBFknV4zJitfs4SuHTKYUabJFUPS4jFrVYXSKpelxGLGqxukRS9biMWLYfR7PZbDQaZTIZ+4qIFEqSApKqx2XEktq1BpBYCwESq8dlxJLa1VGQjN8CkqrHZcSiFqtLJFWPy4hFLVaXSOpOgMuIRS1Wl0hkszBcRiyptVjNzc0mk8nd3V0KX35iSGGzCHQmVklJSZMk8lYB2m615uZmf39/KVzEkkjzwHCNFquurm7JkiVRUVFHjx51ZEEPw7YDMW/evHv37mVnZzu4hoqKirKyMvt6JIJrtFgVFRVyufzatWuLFi1as2bN3bt3HVlWO0wm05kzZwBAp9M5pYCampqMjIyIiIiUlBQ2hVqsLujkN4cPyy9wJGazWYiXYbEzj5RT1XsaGho2btwopHCtXLmSxVhevHgRAMaNG+ewSuzR6XRf2CQcszDfnJwc51XUSte/hG6XX2CbU8WbrKysCRMmsFWPHz8+KSmJ5RfI5fKdO3eaRU2gs4elcAk/V1+4cKGQXmQwGN544w0ACAgIeKQAQbGorq5mOYYymaywsJBNnDZtGgDk5eU5vh57uvsTeyG/gOVUGTiGrSI+PEz75s2bK1euZNNjYmJEyVuzx7aZBIBp06YdbQkAbW5u3r17NwszYueDvr6+H330kYlDKF6H1NXVZWRkCBkyzz33nBAeHhUVBQA9jjUUl0fIbrh3716Pw2e7j22YdkBAQIdh2u3yC4ScKlGwHXNg3LhxtmMOZGdnR0dHs6ciIyN3796tVCrZw+jo6LNnz4pYhj0sheuxxx4TWtCCggLbp/r16yeXy9euXduzzGlxeeRQkJMnT44bNw5aYpmqq6vFKuX69evtwrTv37//sJkbGhqEnCrbPO3eYN9MCilcubm5c+bMYU+FhYXZPpWTkxMeHs42iFKp7KTmHsNa0JEjrYP1zZgxQ+hIGY3Gzz77bNiwYewp9rEfM2aMuEGHPaAnaTOsU28fy9Rjbty4kZqa+qhh2ohYUFAwdepUtk1t87QfleLi4oc1k/n5+QqFgj0VGBioVqvtuwG2EctBQUEijptiseDXX+Py5btZARMnTty/f3/LUxatVjt27Fj21IQJE7Ra7XfffRfVMgxOdzKn+dHzGKOrV68+8cQT7D0sXbr0+vXrPVhIL8O0sW2e9oABA4Q87W7CmkmWHtOumbx8+XJCQoIQUZment55HFdRUdHMmTPZBlEoFL0fNyU3F2fPZtHGpjFjomybyezs7JiYGLau8PBw2+M12yBdZk7zplf5WGyYkICAAGgbStYdGhoabMO0ExISfurF4B4sdIVt6NmzZwt52p3AmknWzLRrJlmYtoeHB+ubq1Sqe91J00Y0m807duxg+baBgYO3b9f3LNHy3DlcsMCabjx0KO7ahUajVY68vDwhZi04ONh+jCBGaWmpEDDeLnPaMYgQvHbr1i0hUbg7fVhOYdqImJWVxXobnY+bYt9MCs0tO41nl+48PT2VSuXNmzcftQw2bsq8eR8C4KRJrXna3eHyZUxIaB1zID0dhVayqAjXrt0rHK83bdrUZSd97969wrn8hg0buv+x7z2iJfrl5OSw4z0bJqTDPizrhI4aNYptHdHDtPHhedoC9fX1rIl1c3N75plnhGZS3DBtRPzPfyyhodY87T/8ARsauphfp0OlEj08rKMH2I458MsvqFSiuzuOGNEklw/qZIwge4Rz+UXDh1uiotBRnXoxoyI778NmZ2ezQFj703jREcZNYaeu7fqwycnJts0kpzBtRGxsRJXK6srQofj11w+d02KxDmnj5YUpKSiMOVBZiSkp6OWFAOjtjevWYVVVV4Z2RE5Ozu2lS60Dp7z8crfGyegd4meQ2vZhly1blp+ff/Dgwbi4ODYlNDTUAWHa2On9KKFTwlpQrmHaiPjjjzhtmrXDpFDgw25H/e1vuGoVCoHZdXWoVluHP5HJMCEBe5ulbTSiWt06cArnIT+5hNuazebt27ezq8MCQ4YM+fTTTx15mMeH34+yWCy294siIyO1Wi2/Msxm1GiwXz8EQLkcMzOxuRkbG9H2ym5jo3VUsMZGzMy0jikHgAsXophZ2sLAKZxHQ+SYmlxRUcG6U+x4xOPKYTexvR+1atWqDz74QMhWHD58uGNaUETU6fCpp6z7dMECTEvDfv3wRsuQxUlJuGkT7tqFQ4e2ziPeeIk2WCy4Zw8GBCAA+vhgejpy+LRzj+MuLS114mU6gTt37qxevdo2kWzYsGEajaabY9GISFYWhoTgxx9jWhqOGoUrV1qnJyXh5s04YwYCYGwscs/Svn0bX3jBqvDEiSjcutbp8NAhPHeudQi827fR9v5jbS12NJRQO1wp5733fPrpp/379/fz80tISGAj9jqF+/fRZMK0NNywASMikI1okZSEW7bg6dP49dcOHAr6xAkMD0cA3L4dzWZcswbDwvD3v8ennsLBg62nkP/4By5e3PqSU6ewG18WcqVw297z6quvvvrqq86uAoTOp6cnbN0KyclQXGydMmuWY0uZOxcKC+GLLyA5GXbvhrw8KC6Gfv0AALRaePZZKC/v2YJd5scU/6ssWgRTpoBa7bwKfHzgtddAJoODByE52WoVAPzud9CvH+Tn92yp/18tljTZsgViYmDiRGi5fewkysshLKzNlBEjoLwcPD3h5EkIDbVObGqCQYO6XBi1WM5n2DB4801w+E9D7PD3h/v320ypqYGAAACAuXPh+nXrn1bbnYWRWE4jOBhavrQH69bBsmXQcvHfSUye3Mbumzfh8mWYONH60N3d+ifrljN0KHQab7zR+r+HB+zf77xSGGlpEBsL770Hy5dDdTWoVLBmDYSE9GxhJBbRQnAwnD0Ln3wCyckgl0NSErz0EgBAWBi03JEDAAgMhJZvKHWCGyJyq5T4/4X6WAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAolFcIHEIrhAYhFcILEILpBYBBdILIILJBbBBRKL4AKJRXCBxCK4QGIRXCCxCC6QWAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAolFcIHEIrhAYhFcILEILpBYBBdILIILJBbBBRKL4AKJRXCBxCK4QGIRXCCxCC6QWAQXSCyCCyQWwQUSi+ACiUVwgcQiuEBiEVwgsQgukFgEF0gsggskFsEFEovgAolFcIHEIrhAYhFcILEILvwXsZPbEPm73w8AAAE/elRYdHJka2l0UEtMIHJka2l0IDIwMjIuMDkuNAAAeJx7v2/tPQYg4GWAAEYg5gdiASBuYGRjSACJMUNoJiY2Bw0gzcwCowUZFEDybA4ZIC4zI0ycHUIzw/gcDGAFjIwYAugq4UZxA53CyMTAxJzBxMzCwMyawMqWwcTGnsDOkcHEwanAwZXAxa3AxZPBxMObwMuXwcTHlMDLliDCxMbEx8vGyszGzsHFw8smvg/qJzDg73k1+0Duf5b9IE5CR9qBBbNWgNmdqwUPnF0nC2ZnSfMdqOBNsgexFTPiDyxVvA5m+/5K2f/15CkwW67wgJ1EnCeY/eXqTXvXon1g9kZzO4cd6wzAbJeuTodpUpvA7EnLrRx6ef3B5qv8anXYsPAsmF029bQ9g9dBMFvxw2I73TgzMHvp3ob9AZ+2gNliAEFHTXiKaxiFAAABnHpUWHRNT0wgcmRraXQgMjAyMi4wOS40AAB4nH2TUY4bIQyG3+cUvkCQbQy2HzfJalVVO5HatHeo1MfeX7VJs8xKqDAgsL4xw+9/Nsj27fr11x/4aHzdNgD8z+Pu8LMi4vYOuYDz69uXHS73l/Mzcrn92O/fgRpQj3eif2Zf7rf3Z4TgAicpplyN4ISlkTeugAVHm+9ykrV0ZFSBE5VKyuQLsibJhbWjt8zZqbmsSPlHMso406wi2QJscPmdp4ujVgIq3VBJFmTPlJHJJVqAzYRtlVIDxFK1Wc+j1XpzXnAGe6TR+C7hWIgFueI88nHx0GRctTtS7wuOEG4ghd2ILRJWJ6lLkB4ZqYvauBOaIa1IHinJulrL0nTs4roi67hNc5TwUZCNMIRckfLQh5F8GEOJQ6wV2VJyinhT01wJ1S4r9HW/fnLfw4/n236dfszO03SxgTqdJTmmfShGmyaR6H06ITags94Sw2ZZJYbP6lGOY5UkA3SoBo2JD6rLiNSDupITyUFFyYnaQa3czjtRfyB6FOkoSe6fv3est79xPslt3H932gAAANl6VFh0U01JTEVTIHJka2l0IDIwMjIuMDkuNAAAeJwlj8uNAzEMQ1vZ4wzgEUTZ+iHHKSBF+BqkghQfKWtABz2TNH3fG/u4X+fe8t7H8+x5b9n4+xzXonCZMS4mRarM8bgmGQv7uEATLlJISNw4W2bQXPnPhJcMpojJiJ9zJfscIAt2FKnLXHUKaSwpH9N0DZvl8zDNigd5+Vuzoth4CKULtCSWDCuySDLQyTNRcS2BrV/x4AhGaxDm0b2NTTtXk7V3BdeH+m1hJNrlkCpSFUHM6tmyhWlrnJ8vmgU/gwRmClQAAAAASUVORK5CYII=\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1</th>\n",
-       "      <td>COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...</td>\n",
-       "      <td>6.77</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3</th>\n",
-       "      <td>CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.921</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4</th>\n",
-       "      <td>Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.510</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6220</th>\n",
-       "      <td>O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6220</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6221</th>\n",
-       "      <td>CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.935</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6221</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6222</th>\n",
-       "      <td>Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>4.800</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6222</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6223</th>\n",
-       "      <td>CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6223</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6224</th>\n",
-       "      <td>O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.150</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_6224</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 7 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_0                            CCc1c(Cl)cc2nc(O)c(O)nc2c1   \n",
-       "parkinsons_1     COc1c(OC(=O)CC2C=NN3c4c(ccc(Cl)c4)[N+]([O-])=N...   \n",
-       "parkinsons_2          Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_3                        CCN1CCc2c(C1)sc(C#Cc1ccccc1)n2   \n",
-       "parkinsons_4                       Cc1cnc(NC(=O)NC2=NC(=O)CN2C)cc1   \n",
-       "...                                                            ...   \n",
-       "parkinsons_6220   O=c1[nH]c2c(cc(Cl)cc2)n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "parkinsons_6221                    CCc1cccc(NC(=N)Nc2cc(CC)ccc2)c1   \n",
-       "parkinsons_6222       Cc1cn2cc(C(F)(F)F)cc2c(C#Cc2ccc(N(C)C)cc2)n1   \n",
-       "parkinsons_6223      CC1CC(C(=O)N2CCc3c(C2)sc(C#Cc2cccc(F)c2)n3)C1   \n",
-       "parkinsons_6224                 O=C(COCc1ccccc1)N1CCN(c2ccccc2)CC1   \n",
-       "\n",
-       "                 GABAAalpha   NMDA  P41594  Q13255           QSPRID  \\\n",
-       "QSPRID                                                                \n",
-       "parkinsons_0            NaN  5.850     NaN     NaN     parkinsons_0   \n",
-       "parkinsons_1           6.77    NaN     NaN     NaN     parkinsons_1   \n",
-       "parkinsons_2           9.66    NaN     NaN     NaN     parkinsons_2   \n",
-       "parkinsons_3            NaN    NaN   5.921     NaN     parkinsons_3   \n",
-       "parkinsons_4            NaN    NaN   5.510     NaN     parkinsons_4   \n",
-       "...                     ...    ...     ...     ...              ...   \n",
-       "parkinsons_6220        7.25    NaN     NaN     NaN  parkinsons_6220   \n",
-       "parkinsons_6221         NaN  6.935     NaN     NaN  parkinsons_6221   \n",
-       "parkinsons_6222         NaN    NaN   4.800     NaN  parkinsons_6222   \n",
-       "parkinsons_6223         NaN    NaN   7.770     NaN  parkinsons_6223   \n",
-       "parkinsons_6224         NaN    NaN   5.150     NaN  parkinsons_6224   \n",
-       "\n",
-       "                                                            RDMol  \n",
-       "QSPRID                                                             \n",
-       "parkinsons_0     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e0c80>  \n",
-       "parkinsons_1     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e0a50>  \n",
-       "parkinsons_2     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e18c0>  \n",
-       "parkinsons_3     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e1af0>  \n",
-       "parkinsons_4     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e1150>  \n",
-       "...                                                           ...  \n",
-       "parkinsons_6220  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0ceb0>  \n",
-       "parkinsons_6221  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0cf20>  \n",
-       "parkinsons_6222  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0cf90>  \n",
-       "parkinsons_6223  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0d000>  \n",
-       "parkinsons_6224  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0d070>  \n",
-       "\n",
-       "[6225 rows x 7 columns]"
-      ]
-     },
-     "execution_count": 20,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.data.data import MoleculeTable\n",
-    "\n",
-    "mt = MoleculeTable(df=df, store_dir=\"data\", name=\"parkinsons\", add_rdkit=True)\n",
-    "mt.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "However, in addition to the ability to depict structures in Jupyter notebooks, this also allows you to use the `MoleculeTable` class to calculate molecular descriptors and fingerprints, determine scaffolds and standardize structures. We will go over some of these features in the next sections.\n",
-    "\n",
-    "### Dropping Invalid Molecules and Standardizing Structures\n",
-    "\n",
-    "Before making calculations, it is a good idea to standardize structures and drop invalid molecules. `MoleculeTable` provides a simple way to do this:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 21,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "mt.standardizeSmiles('chembl', drop_invalid=True)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The code above uses the ChEMBL standardizer to standardize the structures and drops all invalid molecules. You can also do it separately, though:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 22,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "QSPRID\n",
-       "parkinsons_0       False\n",
-       "parkinsons_1       False\n",
-       "parkinsons_2       False\n",
-       "parkinsons_3       False\n",
-       "parkinsons_4       False\n",
-       "                   ...  \n",
-       "parkinsons_6220    False\n",
-       "parkinsons_6221    False\n",
-       "parkinsons_6222    False\n",
-       "parkinsons_6223    False\n",
-       "parkinsons_6224    False\n",
-       "Name: SMILES, Length: 6225, dtype: bool"
-      ]
-     },
-     "execution_count": 22,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "mt.standardizeSmiles('chembl', drop_invalid=False)\n",
-    "mt.dropInvalids() # returns a boolean array of the same length as the unfiltered data frame that indicates which rows were dropped (True) and which were kept (False)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "### Calculating Molecular Descriptors\n",
-    "\n",
-    "QSPRPred provides an interface to easily calculate molecular descriptors. The package already contains many descriptor implementations, but you can also easily add your own. Here is an example that calculates Morgan fingerprints and RDKit descriptors:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 23,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "from qsprpred.data.utils.descriptorsets import RDKitDescs, FingerprintSet\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "\n",
-    "calc = MoleculeDescriptorsCalculator(desc_sets=[FingerprintSet(\"MorganFP\", radius=3, nBits=2048), RDKitDescs()])\n",
-    "mt.addDescriptors(calc)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "**Note:** You can also speed these calculations up with the `n_jobs`/`nJobs` parameter/attribute since descriptor calculation is implemented to process multiple sets of molecules in parallel if `mt.nJobs` is higher than 1.\n",
-    "\n",
-    "Descriptors are saved in their own wrapped tables, which can be accessed with the `descriptors` attribute:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 24,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "[<qsprpred.data.data.DescriptorTable at 0x7f2ef81d1d80>]"
-      ]
-     },
-     "execution_count": 24,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "mt.descriptors"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 25,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "(6225, 2257)"
-      ]
-     },
-     "execution_count": 25,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "mt.descriptors[0].getDF().shape"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Adding more descriptors (i.e. [protein descriptors](data_preparation_advanced.ipynb)) later will append to this list. You can easily get the whole matrix of descriptors as follows:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 26,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
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-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_0</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_1</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_2</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_3</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_4</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_5</th>\n",
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-       "      <th>Descriptor_FingerprintSet_MorganFP_8</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_9</th>\n",
-       "      <th>...</th>\n",
-       "      <th>Descriptor_RDkit_fr_sulfide</th>\n",
-       "      <th>Descriptor_RDkit_fr_sulfonamd</th>\n",
-       "      <th>Descriptor_RDkit_fr_sulfone</th>\n",
-       "      <th>Descriptor_RDkit_fr_term_acetylene</th>\n",
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-       "      <th>QSPRID</th>\n",
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-       "      <th>parkinsons_6220</th>\n",
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-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6223</th>\n",
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-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_6224</th>\n",
-       "      <td>0.0</td>\n",
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-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>6225 rows × 2256 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                 Descriptor_FingerprintSet_MorganFP_0  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_1  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      1.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_2  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_3  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_4  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   1.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_5  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   1.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_6  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_7  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   0.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_8  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_6220                                   1.0   \n",
-       "parkinsons_6221                                   0.0   \n",
-       "parkinsons_6222                                   0.0   \n",
-       "parkinsons_6223                                   0.0   \n",
-       "parkinsons_6224                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_9  ...  \\\n",
-       "QSPRID                                                 ...   \n",
-       "parkinsons_0                                      0.0  ...   \n",
-       "parkinsons_1                                      0.0  ...   \n",
-       "parkinsons_2                                      0.0  ...   \n",
-       "parkinsons_3                                      0.0  ...   \n",
-       "parkinsons_4                                      0.0  ...   \n",
-       "...                                               ...  ...   \n",
-       "parkinsons_6220                                   0.0  ...   \n",
-       "parkinsons_6221                                   0.0  ...   \n",
-       "parkinsons_6222                                   0.0  ...   \n",
-       "parkinsons_6223                                   0.0  ...   \n",
-       "parkinsons_6224                                   0.0  ...   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_sulfide  Descriptor_RDkit_fr_sulfonamd  \\\n",
-       "QSPRID                                                                        \n",
-       "parkinsons_0                             0.0                            0.0   \n",
-       "parkinsons_1                             0.0                            0.0   \n",
-       "parkinsons_2                             0.0                            0.0   \n",
-       "parkinsons_3                             0.0                            0.0   \n",
-       "parkinsons_4                             0.0                            0.0   \n",
-       "...                                      ...                            ...   \n",
-       "parkinsons_6220                          0.0                            0.0   \n",
-       "parkinsons_6221                          0.0                            0.0   \n",
-       "parkinsons_6222                          0.0                            0.0   \n",
-       "parkinsons_6223                          0.0                            0.0   \n",
-       "parkinsons_6224                          0.0                            0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_sulfone  \\\n",
-       "QSPRID                                         \n",
-       "parkinsons_0                             0.0   \n",
-       "parkinsons_1                             0.0   \n",
-       "parkinsons_2                             0.0   \n",
-       "parkinsons_3                             0.0   \n",
-       "parkinsons_4                             0.0   \n",
-       "...                                      ...   \n",
-       "parkinsons_6220                          0.0   \n",
-       "parkinsons_6221                          0.0   \n",
-       "parkinsons_6222                          0.0   \n",
-       "parkinsons_6223                          0.0   \n",
-       "parkinsons_6224                          0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_term_acetylene  \\\n",
-       "QSPRID                                                \n",
-       "parkinsons_0                                    0.0   \n",
-       "parkinsons_1                                    0.0   \n",
-       "parkinsons_2                                    0.0   \n",
-       "parkinsons_3                                    0.0   \n",
-       "parkinsons_4                                    0.0   \n",
-       "...                                             ...   \n",
-       "parkinsons_6220                                 0.0   \n",
-       "parkinsons_6221                                 0.0   \n",
-       "parkinsons_6222                                 0.0   \n",
-       "parkinsons_6223                                 0.0   \n",
-       "parkinsons_6224                                 0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_tetrazole  Descriptor_RDkit_fr_thiazole  \\\n",
-       "QSPRID                                                                         \n",
-       "parkinsons_0                               0.0                           0.0   \n",
-       "parkinsons_1                               0.0                           0.0   \n",
-       "parkinsons_2                               0.0                           0.0   \n",
-       "parkinsons_3                               0.0                           1.0   \n",
-       "parkinsons_4                               0.0                           0.0   \n",
-       "...                                        ...                           ...   \n",
-       "parkinsons_6220                            0.0                           0.0   \n",
-       "parkinsons_6221                            0.0                           0.0   \n",
-       "parkinsons_6222                            0.0                           0.0   \n",
-       "parkinsons_6223                            0.0                           1.0   \n",
-       "parkinsons_6224                            0.0                           0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_thiocyan  Descriptor_RDkit_fr_thiophene  \\\n",
-       "QSPRID                                                                         \n",
-       "parkinsons_0                              0.0                            0.0   \n",
-       "parkinsons_1                              0.0                            0.0   \n",
-       "parkinsons_2                              0.0                            0.0   \n",
-       "parkinsons_3                              0.0                            0.0   \n",
-       "parkinsons_4                              0.0                            0.0   \n",
-       "...                                       ...                            ...   \n",
-       "parkinsons_6220                           0.0                            0.0   \n",
-       "parkinsons_6221                           0.0                            0.0   \n",
-       "parkinsons_6222                           0.0                            0.0   \n",
-       "parkinsons_6223                           0.0                            0.0   \n",
-       "parkinsons_6224                           0.0                            0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_unbrch_alkane  Descriptor_RDkit_fr_urea  \n",
-       "QSPRID                                                                        \n",
-       "parkinsons_0                                   0.0                       0.0  \n",
-       "parkinsons_1                                   0.0                       0.0  \n",
-       "parkinsons_2                                   0.0                       0.0  \n",
-       "parkinsons_3                                   0.0                       0.0  \n",
-       "parkinsons_4                                   0.0                       1.0  \n",
-       "...                                            ...                       ...  \n",
-       "parkinsons_6220                                0.0                       0.0  \n",
-       "parkinsons_6221                                0.0                       0.0  \n",
-       "parkinsons_6222                                0.0                       0.0  \n",
-       "parkinsons_6223                                0.0                       0.0  \n",
-       "parkinsons_6224                                0.0                       0.0  \n",
-       "\n",
-       "[6225 rows x 2256 columns]"
-      ]
-     },
-     "execution_count": 26,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "mt.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Data Representation (`QSPRDataset`)\n",
-    "\n",
-    "The `QSPRDataset` class is the next extension of the `PandasDataSet` and `MoleculeTable` classes. It is a subclass of `MoleculeTable` and adds some useful functions for QSPR model training itself. You can create a `QSPRDataset` object from scratch as usual, but this time you will need to specify the target properties and tasks you would like to model. For example, a data set for a simple regression task would be defined as follows:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 27,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
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-       "      <th></th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
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-       "      <th>QSPRID</th>\n",
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-       "      <th>parkinsons_0</th>\n",
-       "      <td>COc1ccccc1OC(=O)CC1C=NN2c3cc(Cl)ccc3[N+]([O-])...</td>\n",
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-       "      <td>parkinsons_0</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img 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ADExMQsXLiwrKwsKCnrzzTfbF6Ul48S/mkqlMtL9u4iOjgawYMGCIUOGwIhVGa3wyCOPABAHBTw8POQNXlBQMHjwYMfbt1Xy9fWNjo4+deqU4RFmz54NICgo7uZN2bJKTU0F0KNHD1GpPn36SG4K9HNEY8eOXbJkCaQO67colk6ns7S0FAShurpaWorNIi5mCgsLCw4OBrBN8krRlhk1ahSA1NRUpVKpVCrlWkZCRCkpKeL68W7dugUEBIgLPUR69er13nvvZWVl3bp1q5UImZmZCoXCzMzsxIkTcmVFRDqdztfXF8CmTZt69uwJYMeOHdJC/fOf/wTQtWvXQ4cOWVhYCIKwZ88eCXFamysUU5R3Ri8jIwPA8OHDxRN32bJlMgYXiYiIABAbG9utWzcABQUFxsesra2NjIwUHRLntYiouro6IyMjMjLSzc1Nb5iTk1NoaGhycrK4p68pZWVlYk9g0aJFxqd0F1988QWA/v37r169GsDQoUMlBDl9+rQo086dO8WxqxlSdx60JpbY0ZZ34iU3NxeAt7d3TEwMgOnTp8sYXEQcbvHy8hLnzr/RL/2TSkFBgbh109LSMiYm5t4DtFrtqVOnoqOjfXx89IZZW1ur1er4+Hj90oAJEyYA8Pf3b71Wk0Z9fb14IqWnpzs7OwM4evRouyJUVVWJ+c+cOXPq1KliQy+5vWpNLBYTLzU1NeL14Pbt2wGMHj1axuAiM2bMwO2VOQAeeuih6Ojoq1evSou2Y8cOcQzP09PTkPYrJydn8eLFQ4YM0SegVCqfffZZcTWbra3thQsXpGXSJuJKh4CAgIULF0r4206ZMkWUKS0tTRAES0vLc+fOSU6mNbH0HW3J0ZtFnIfft28fgAEDBsgYuaGhISoqSvxFAwMDP/jgA3E2TaxsQkNDs7OzDY/WtPkbN25cWVlZu5LRaDSJiYlqtVqsOJVKpbm5uexr8ZpSUVEhngOHDx+2tbUVBCEnJ8fAsl9//bUo0zfffCMOX69cudKYZFoTS9/RNuYD7mXBggXz588/f/48AAcHB7nCFhYW6ifLly5dqp8sF9ev6jf1ivs7GtpatfzLL7889thjrTR/hlNRUZGUlOTl5YV2TrdJYO7cuQAmTJiwcOHCxYsXG3gyaDQaUaZVq1aNHj0awLPPPmvkEGNrYuk72sZ8QCvBbW1t7ezsRowYkZ6ebsyiCSK6sGuXeLJ6eXn95z//ufeAvLy8qKgocaxPvOpppX3cvn27GK13795nZdnqQCQ2/V5eXm06bQzFxcXiQvV2NbgnT550d3cPCAhYt26deLYXFhYamUlrYuk72kSk0+nkWqhfX1//3nvviQ2Wubm5+Ev7+PisXbv2Rpt7PZsLR1FROkEY9/jjQUFB4vVaS1RWVsbHx7fSPtbU1Oibv/Hjx7e3+WsFrVYrDrCxGGFpyvjx4xUKhbm5ube3t7+/v1qtjoiIiI6Ojo+PT09Pz8rKys/Pv3cI5tq1a8ePHxeX8smSYWti6TvaWq32wIED4hVNcnKyMedcUVFR0709Go1myZIl4kU4AHt7+5kzZ5bl5RkaLi+PBg8mgCwtq2NjDSyk0+kyMjKato/i9zpz5syAAQMAWFlZGdn8NUt8fLzYrTSyem6F2tpaHx8f/enaEoIgqFSqRx99NCAg4NVXX501a9aHH34o9n1fe+01WTJpY8272CLs2bMnPj5evzLV29t75cqVEs7m9PR0ccz6rr09Wq02PT09ICBAEAQfJyfq1IkCAig9nVr/AXbupC5dCCBPT5I0gp+bm/vOO+90vn1LIbES7dOnT7v6+IZTW1srjngdPHiQRXwimjVrFoCePXtqNJr8/PysrKzk5OSYmJjo6OiIiAi1Wu3v7+/t7a3fMXUXtra27d2b3xJtiCUObCgUCrVanZaWFh8fL9bn4mkdGhpq4HVHQ0ODfm/P6NGjW1rcfO7cue/+7/8aZ2gB8vGhdeuaubeGVkvTpjUeExxMBu9tbxaxfRSNHzBggJTm2GDEce1Ro2Rb1tyUjIwMA4f1tVptcXFxdnb2vn37Nm7cuHz58okTJ77wwgtydSipTbF++umnfv366avWQYMGJSQk7N27V61W68dpxHaklUG/wsLC9u3tuXqVliwhD49Gdezt6d13qb6eVq2i6dMpOppu3KDXXydLS5KvwWpoaLgp4+xdC5SVlT3//Lvu7gXy/YKNiJtcACyWvCBVVgzaV1hcXLx06VJ3d3fRJGdn56ioqMzMzMjIyKbt49KlS++titLS0sTKoHv37t9++207UtNqKT2dAgJIEGjsWFq1ijZvJiI6fpymTqWqKjJi+M6EiGunZV/O8/LLL4PZsL4E2rHFvq6uLjk5WRwrAqBUKtVqdWpq6sqVK8VZRbGRXrt2rXh80+FKY/b20NmzlJNDY8bc2TL/wgsSQ3UALl8mCwtSKsnwS5Q2SUysf+KJFfb29r+yuV2FBKTcbebUqVOhoaH69nHgwIFxcXG7d+8W28fU1FRqebhSOsHBdzpb8m29MglhYQRQZKQ80fLyqHNnAig5uZnbrpgK6ffHuqt9VKlUUVFRhw4dunXrVmpqqjgU2b17d8PvktUGaWk0cyYVFNCqVWTcbIPJOX+eFArq1ImkTmDeoaGBnnySAJJ7qa+xGHuryNra2g0bNgwaNEjUy9zcXL/tQt4BRiKi48dpxQoy4jZzHQe1mgBauNDYONHRBJC7O0nuaDBCnpvb0u32URwgEQRBnubvweXIERIEajoYefgwpafTiRNUVES1tQYFOXmSzM1JoaBDhxilKR2Zn0xx9uzZPXv2+Pv7i8tbOa2wcyccHTFsGIqKcO0aoqJw8OCd/3VwgKsrVCq4ucHFBc7OcHeHszOeew7ihfjNm3jsMeTnY+5cfPKJqb5Ei3TsR5480MTEYMMGHD6M7Gz8/DM0Gpw+jZISlJTg6lXU1zdfqqio8SmOWi1WrMDOnTh6FBYGPab5T4WLZTJiYtC5M06fRkgIfv4ZJ07A1vZO5WRhAYUCAH7/HVevNgqn0WDIENjbY9Ys/PvfcHLCM88gKQmTJpn6y9xDR30yxf8GjzyCCxfw/fewscGWLdDpmjmmU6fG1lClQt++qKjA2bMYOxY3bsDaGllZOHIEgwejyaLoDgGvsUxGTAyGDkX//njiCUREwMMDV678oXISX9TU3Cni44NRo/Dqq1i+HCNHQqXCiy/i4kV4e5vua7QAr7FMRr9+cHGBrS0+/RTm5njuueYPu3kTV65Ao0FpKRQKHD2Krl0xdCj27MHrrwPoiFaBi2VC/vKXxhfPP9/aYba2ePhh6B8AcvQoAERGol03Uvjz6dhPWOXcw+zZeOghmJlhyxZcuGDqbFqG97HuS7Ra9OiBy5dx7Bj8/U2dTXPwGuu+RKlsfLjm8uWmTqUFeI11v3L9Ojw9UV2NnBzc3h3SgeA11v2KkxNeew1EWLXK1Kk0BxfrPmb2bHS2avDP3whJd+piChfrPsbbG1cnRr5xJAwxMabO5W54H+s+JzsbAweic2cUFkKOGxDLBa+x7nMGDMBf/oLKSqxfb+pU/gCvse5/DhzAyJFwcUFBAaysTJ1NI7zGuv8JDMRjj8HbG6Wlpk7lDrzGeiAoK8OlS9iyBTY2ePttqFSmTohPQj8YVFVh/nxs3Ijr1zF5MtLSsGULPD0xYoSpMuJiPRBkZCA0FPb2sLeHry8KChqX1JgO3sd6IBAE6Ls0HaNvw8V6IHj+eWzejJs3UViI3Fz06mXqhHjn/YHh3Dls3QpLS0ybBjaP8W0XXCwOE3hTyGECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDBC4WhwlcLA4TuFgcJnCxOEzgYnGYwMXiMIGLxWECF4vDhP8H6qClTg8u2O0AAAINelRYdHJka2l0UEtMIHJka2l0IDIwMjIuMDkuNAAAeJx7v2/tPQYg4GWAAEYglgZiOSBuYGRjSACJMXMwaABpZiY2BzDNAqPh4gzofJA+JijNDDQnA0QzM7JDFDDDaHQD2RygCpEYEBlBBgWQU+Di7ApaYKexcIAZ/xFmwy3FYhY6gxvoYUYmBSbmDCZmFgUWVgVWNg0mVnYGdg4GDk4GTi4NJi5uBW4eBR7eDCZevgQ+/gwmfoEEAUEGASGggLCCsIiCsKgGk6gYA7N4grhEBpOEZIKkVAaTFFOCGAeDGDeDEE+CCAsbk5SkhDgzKyeHGDcXGx+/gBAPL5uwqBg3D6+4HyMk0MFAOuBaywGrSY4OIM7fsLoDDjVH7EHs+LlLD+zkUQaz+z7NP7DROWo/iL19dfoB7Ss7wOyvx6UO9O/hBrNnyKoduD25EKxeSbZ1/6wJE8HiHMGqdtuvluwDsT+mCtjtTFgIVnPu8nH73wb3weybKbIOHy5xgdmf/tU4tJ04bwdiv507yeHG/hKwOT+zDjk4X+8GsydL3nNYJM0BViP/+6RDU+h+sN4dK586yErogf0ipDfL4eaZC2Dx5fdyHYLmch8AsY/zdjtEHEsCs/tc+ByWPWQCs335z9jXPdIDm5+XcuzAbvEHYLZC46cDmalTwOxP2j8O6HOvBNsruOvigfUWc8HmiwEAEb6KbXXVREsAAAKeelRYdE1PTCByZGtpdCAyMDIyLjA5LjQAAHicfVVLbhsxDN37FLqABfEvLrJw7CAt2thAm+QOBbrs/VFSg3iUQuiMRY80TyRFPnIOJa8fl2+//pT7hZfDoZT2n5+7l3dqrR1eSj6Ux6fnr9dyfj09fqycb2/X158FrcRk3J+xp9fby8cKlHM5cgUBUChUG7JI7KhtXPtWLLdypOrGTbxAFZLGuABSapQKJqypSEkdaAHkzbR7J+nl2GoXFJcFUjbbCt5FyxEqM7mtkJo6sTJ0Fk6dwtJZF0hLnVjDoEi+dybV1Xl6qoTayF0wn4AMcWXcA9lqxJEjgmEbyZvbAghtQzI04IglajPlFRDKNWOtEAmKBwsn+8pJwADGucWxZ9CFETusgJmeSKNQ03wf2ey49DHTw1U6mI3suGiTpW0JpNZmEck+QuUobalTB9K5KaYmIHToK6ANIAF4ywCxs60jGdn5XSzYpq49ImDYEJde+jhPhw6YKpUAZRUhbBFKqgZqcbKgSOxgm42X85fnByjvp+8PfN8FwSeuFLQjTLLGP4n+u+u4bYP7ti1v4bITp7EW3MFVtWAmLqjgjBGdyId2Al4iR2FpBXeLCoyEWKQDV/zCTN3RqlhHpUFuCUdW5EbdoJFlGlwlaqBL+7bZD6AHIOiNHX2Vk6fr5VMz2trT4+162dtT3rg3oZgU2lsN59gbCsSQvWtADN1bA8awvf4hpn2vcojheylDjrliMQXAVJowBE41CEPQVGycAniqKk4BMlVPTqM2pirhFGBTOcAQfeI9jxWf+A2pGWciQwqEiaQ4VnDiH6RAmniWPiJPdMppcGViTU6DEhM5OAXaRAIeX6D7QkY4lN8dRt8W9gBuKfQpgEmQmQ45//jSxfPhL//FWVSZXg4LAAABXHpUWHRTTUlMRVMgcmRraXQgMjAyMi4wOS40AAB4nCWRPXLrMAyEr5JSmkdj8E9iPK7U2wfIpGL7jpDDZ2FXkj4Su4vV9dqyj9d1PF7nden1eD5t+z723sf1/9x+fj///Rzfr9vP+XheaidOtnz9HjcnCZEcRqweMe43o5rOOYTCgh0kSGZ4Dqa0LDEgp6plOW5MKzTqM5hSC0zI3WoCKbksj74WHgsazXA9Wq3cMhVIiK2ggRexqTBgkpTPoFpxiwG5sDiCafKEFBKmSABMKK1xh12UrtFuqkvGHcuEcZs5x1LIOMWSuVq5Ijngn8SzE3WO0pAmhQoUY2JaspqYSMHKy/E5UUkildJUVm3ZJUsUF9JEo52n5JSBfXHQM07m4TZQFB4oD3lVtazvsAfre6VC9E6Xy8S76ySpmu94M3h2YZNiLn0jiTJ/I+xgvakZS34GQar/JMrQGufvHwOGccINanHKAAAAAElFTkSuQmCC\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1</th>\n",
-       "      <td>Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1</td>\n",
-       "      <td>9.66000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_1</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2</th>\n",
-       "      <td>Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1</td>\n",
-       "      <td>5.50000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>7.72</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3</th>\n",
-       "      <td>CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(I)cc2)n1</td>\n",
-       "      <td>6.35000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_3</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4</th>\n",
-       "      <td>CN1Cc2c(C#Cc3ccccc3)ncn2-c2cccc(Cl)c2C1=O</td>\n",
-       "      <td>9.00000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.95</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_4</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2045</th>\n",
-       "      <td>Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CCCOC2)cn1</td>\n",
-       "      <td>7.93000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2045</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2046</th>\n",
-       "      <td>CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2</td>\n",
-       "      <td>8.26750</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2046</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2047</th>\n",
-       "      <td>CC1(C)CC(=O)c2c(NCCO)sc(-c3cc[nH]n3)c2C1</td>\n",
-       "      <td>6.66975</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2047</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2048</th>\n",
-       "      <td>COc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2</td>\n",
-       "      <td>8.11000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2048</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2049</th>\n",
-       "      <td>O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(F)cc3)nn12</td>\n",
-       "      <td>7.25000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>parkinsons_2049</td>\n",
-       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>2050 rows × 7 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                                            SMILES  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_0     COc1ccccc1OC(=O)CC1C=NN2c3cc(Cl)ccc3[N+]([O-])...   \n",
-       "parkinsons_1          Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1   \n",
-       "parkinsons_2                   Cc1cc(C#Cc2cn(-c3ccccc3)c(C)n2)ccn1   \n",
-       "parkinsons_3        CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(I)cc2)n1   \n",
-       "parkinsons_4             CN1Cc2c(C#Cc3ccccc3)ncn2-c2cccc(Cl)c2C1=O   \n",
-       "...                                                            ...   \n",
-       "parkinsons_2045     Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC2CCCOC2)cn1   \n",
-       "parkinsons_2046         CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2   \n",
-       "parkinsons_2047           CC1(C)CC(=O)c2c(NCCO)sc(-c3cc[nH]n3)c2C1   \n",
-       "parkinsons_2048                 COc1ccc2c(c1)-c1ncnn1Cc1c(C)ncn1-2   \n",
-       "parkinsons_2049     O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(F)cc3)nn12   \n",
-       "\n",
-       "                 GABAAalpha  NMDA  P41594  Q13255           QSPRID  \\\n",
-       "QSPRID                                                               \n",
-       "parkinsons_0        6.77000   NaN     NaN     NaN     parkinsons_0   \n",
-       "parkinsons_1        9.66000   NaN     NaN     NaN     parkinsons_1   \n",
-       "parkinsons_2        5.50000   NaN    7.72     NaN     parkinsons_2   \n",
-       "parkinsons_3        6.35000   NaN     NaN     NaN     parkinsons_3   \n",
-       "parkinsons_4        9.00000   NaN    5.95     NaN     parkinsons_4   \n",
-       "...                     ...   ...     ...     ...              ...   \n",
-       "parkinsons_2045     7.93000   NaN     NaN     NaN  parkinsons_2045   \n",
-       "parkinsons_2046     8.26750   NaN     NaN     NaN  parkinsons_2046   \n",
-       "parkinsons_2047     6.66975   NaN     NaN     NaN  parkinsons_2047   \n",
-       "parkinsons_2048     8.11000   NaN     NaN     NaN  parkinsons_2048   \n",
-       "parkinsons_2049     7.25000   NaN     NaN     NaN  parkinsons_2049   \n",
-       "\n",
-       "                                                            RDMol  \n",
-       "QSPRID                                                             \n",
-       "parkinsons_0     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e0a50>  \n",
-       "parkinsons_1     <rdkit.Chem.rdchem.Mol object at 0x7f2e782e18c0>  \n",
-       "parkinsons_2     <rdkit.Chem.rdchem.Mol object at 0x7f2ed512e500>  \n",
-       "parkinsons_3     <rdkit.Chem.rdchem.Mol object at 0x7f2ed512e5e0>  \n",
-       "parkinsons_4     <rdkit.Chem.rdchem.Mol object at 0x7f2ed512e6c0>  \n",
-       "...                                                           ...  \n",
-       "parkinsons_2045  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0c7b0>  \n",
-       "parkinsons_2046  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0c900>  \n",
-       "parkinsons_2047  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0ca50>  \n",
-       "parkinsons_2048  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0cc80>  \n",
-       "parkinsons_2049  <rdkit.Chem.rdchem.Mol object at 0x7f2ed4f0ceb0>  \n",
-       "\n",
-       "[2050 rows x 7 columns]"
-      ]
-     },
-     "execution_count": 27,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.tasks import TargetTasks\n",
-    "from qsprpred.data.data import QSPRDataset, TargetProperty\n",
-    "\n",
-    "ds_qspr = QSPRDataset(df=df, store_dir=\"data\", name=\"parkinsons\", target_props=[{\"name\": \"GABAAalpha\", \"task\": TargetTasks.REGRESSION}])\n",
-    "# or\n",
-    "ds_qspr = QSPRDataset(df=df, store_dir=\"data\", name=\"parkinsons\", target_props=[TargetProperty(\"GABAAalpha\", TargetTasks.REGRESSION)])\n",
-    "ds_qspr.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "You can see that some rows from the original data frame were dropped automatically because they did not have a value for the specified `GABAAalpha` target property.\n",
-    "\n",
-    "You may also notice that in this data set we are now missing our descriptors:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 28,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "[]"
-      ]
-     },
-     "execution_count": 28,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_qspr.descriptors"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 29,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_0</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_1</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_3</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_4</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2045</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2046</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2047</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2048</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2049</th>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>2050 rows × 0 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "Empty DataFrame\n",
-       "Columns: []\n",
-       "Index: [parkinsons_0, parkinsons_1, parkinsons_2, parkinsons_3, parkinsons_4, parkinsons_5, parkinsons_6, parkinsons_7, parkinsons_8, parkinsons_9, parkinsons_10, parkinsons_11, parkinsons_12, parkinsons_13, parkinsons_14, parkinsons_15, parkinsons_16, parkinsons_17, parkinsons_18, parkinsons_19, parkinsons_20, parkinsons_21, parkinsons_22, parkinsons_23, parkinsons_24, parkinsons_25, parkinsons_26, parkinsons_27, parkinsons_28, parkinsons_29, parkinsons_30, parkinsons_31, parkinsons_32, parkinsons_33, parkinsons_34, parkinsons_35, parkinsons_36, parkinsons_37, parkinsons_38, parkinsons_39, parkinsons_40, parkinsons_41, parkinsons_42, parkinsons_43, parkinsons_44, parkinsons_45, parkinsons_46, parkinsons_47, parkinsons_48, parkinsons_49, parkinsons_50, parkinsons_51, parkinsons_52, parkinsons_53, parkinsons_54, parkinsons_55, parkinsons_56, parkinsons_57, parkinsons_58, parkinsons_59, parkinsons_60, parkinsons_61, parkinsons_62, parkinsons_63, parkinsons_64, parkinsons_65, parkinsons_66, parkinsons_67, parkinsons_68, parkinsons_69, parkinsons_70, parkinsons_71, parkinsons_72, parkinsons_73, parkinsons_74, parkinsons_75, parkinsons_76, parkinsons_77, parkinsons_78, parkinsons_79, parkinsons_80, parkinsons_81, parkinsons_82, parkinsons_83, parkinsons_84, parkinsons_85, parkinsons_86, parkinsons_87, parkinsons_88, parkinsons_89, parkinsons_90, parkinsons_91, parkinsons_92, parkinsons_93, parkinsons_94, parkinsons_95, parkinsons_96, parkinsons_97, parkinsons_98, parkinsons_99, ...]\n",
-       "\n",
-       "[2050 rows x 0 columns]"
-      ]
-     },
-     "execution_count": 29,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_qspr.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "This is because the `QSPRDataset` class does not know anything about the descriptors in our `MoleculeTable` object since it only uses the original data frame with the molecules and target properties. Therefore, there is also the `fromMolTable` method that allows you to create a `QSPRDataset` object from a `MoleculeTable` object while maintaining all data associated with it:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 30,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "[<qsprpred.data.data.DescriptorTable at 0x7f2ef81d1d80>]"
-      ]
-     },
-     "execution_count": 30,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_qspr = QSPRDataset.fromMolTable(mt, target_props=[TargetProperty(\"GABAAalpha\", TargetTasks.REGRESSION)])\n",
-    "ds_qspr.descriptors"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 31,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
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-       "      <th></th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_0</th>\n",
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-       "      <th>Descriptor_FingerprintSet_MorganFP_9</th>\n",
-       "      <th>...</th>\n",
-       "      <th>Descriptor_RDkit_fr_sulfide</th>\n",
-       "      <th>Descriptor_RDkit_fr_sulfonamd</th>\n",
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-       "      <th>Descriptor_RDkit_fr_term_acetylene</th>\n",
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-       "      <th>QSPRID</th>\n",
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-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2048</th>\n",
-       "      <td>0.0</td>\n",
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-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>parkinsons_2049</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
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-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>2050 rows × 2256 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                 Descriptor_FingerprintSet_MorganFP_0  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_1  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      1.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_2  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_3  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_4  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_5  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_6  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_7  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_8  \\\n",
-       "QSPRID                                                  \n",
-       "parkinsons_0                                      0.0   \n",
-       "parkinsons_1                                      0.0   \n",
-       "parkinsons_2                                      0.0   \n",
-       "parkinsons_3                                      0.0   \n",
-       "parkinsons_4                                      0.0   \n",
-       "...                                               ...   \n",
-       "parkinsons_2045                                   0.0   \n",
-       "parkinsons_2046                                   0.0   \n",
-       "parkinsons_2047                                   0.0   \n",
-       "parkinsons_2048                                   0.0   \n",
-       "parkinsons_2049                                   0.0   \n",
-       "\n",
-       "                 Descriptor_FingerprintSet_MorganFP_9  ...  \\\n",
-       "QSPRID                                                 ...   \n",
-       "parkinsons_0                                      0.0  ...   \n",
-       "parkinsons_1                                      0.0  ...   \n",
-       "parkinsons_2                                      0.0  ...   \n",
-       "parkinsons_3                                      0.0  ...   \n",
-       "parkinsons_4                                      0.0  ...   \n",
-       "...                                               ...  ...   \n",
-       "parkinsons_2045                                   0.0  ...   \n",
-       "parkinsons_2046                                   0.0  ...   \n",
-       "parkinsons_2047                                   0.0  ...   \n",
-       "parkinsons_2048                                   0.0  ...   \n",
-       "parkinsons_2049                                   0.0  ...   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_sulfide  Descriptor_RDkit_fr_sulfonamd  \\\n",
-       "QSPRID                                                                        \n",
-       "parkinsons_0                             0.0                            0.0   \n",
-       "parkinsons_1                             0.0                            0.0   \n",
-       "parkinsons_2                             0.0                            0.0   \n",
-       "parkinsons_3                             0.0                            0.0   \n",
-       "parkinsons_4                             0.0                            0.0   \n",
-       "...                                      ...                            ...   \n",
-       "parkinsons_2045                          1.0                            0.0   \n",
-       "parkinsons_2046                          0.0                            0.0   \n",
-       "parkinsons_2047                          0.0                            0.0   \n",
-       "parkinsons_2048                          0.0                            0.0   \n",
-       "parkinsons_2049                          0.0                            0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_sulfone  \\\n",
-       "QSPRID                                         \n",
-       "parkinsons_0                             0.0   \n",
-       "parkinsons_1                             0.0   \n",
-       "parkinsons_2                             0.0   \n",
-       "parkinsons_3                             0.0   \n",
-       "parkinsons_4                             0.0   \n",
-       "...                                      ...   \n",
-       "parkinsons_2045                          0.0   \n",
-       "parkinsons_2046                          0.0   \n",
-       "parkinsons_2047                          0.0   \n",
-       "parkinsons_2048                          0.0   \n",
-       "parkinsons_2049                          0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_term_acetylene  \\\n",
-       "QSPRID                                                \n",
-       "parkinsons_0                                    0.0   \n",
-       "parkinsons_1                                    0.0   \n",
-       "parkinsons_2                                    0.0   \n",
-       "parkinsons_3                                    0.0   \n",
-       "parkinsons_4                                    0.0   \n",
-       "...                                             ...   \n",
-       "parkinsons_2045                                 0.0   \n",
-       "parkinsons_2046                                 0.0   \n",
-       "parkinsons_2047                                 0.0   \n",
-       "parkinsons_2048                                 0.0   \n",
-       "parkinsons_2049                                 0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_tetrazole  Descriptor_RDkit_fr_thiazole  \\\n",
-       "QSPRID                                                                         \n",
-       "parkinsons_0                               0.0                           0.0   \n",
-       "parkinsons_1                               0.0                           0.0   \n",
-       "parkinsons_2                               0.0                           0.0   \n",
-       "parkinsons_3                               0.0                           1.0   \n",
-       "parkinsons_4                               0.0                           0.0   \n",
-       "...                                        ...                           ...   \n",
-       "parkinsons_2045                            0.0                           0.0   \n",
-       "parkinsons_2046                            0.0                           1.0   \n",
-       "parkinsons_2047                            0.0                           0.0   \n",
-       "parkinsons_2048                            0.0                           0.0   \n",
-       "parkinsons_2049                            0.0                           0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_thiocyan  Descriptor_RDkit_fr_thiophene  \\\n",
-       "QSPRID                                                                         \n",
-       "parkinsons_0                              0.0                            0.0   \n",
-       "parkinsons_1                              0.0                            0.0   \n",
-       "parkinsons_2                              0.0                            0.0   \n",
-       "parkinsons_3                              0.0                            0.0   \n",
-       "parkinsons_4                              0.0                            0.0   \n",
-       "...                                       ...                            ...   \n",
-       "parkinsons_2045                           0.0                            0.0   \n",
-       "parkinsons_2046                           0.0                            1.0   \n",
-       "parkinsons_2047                           0.0                            0.0   \n",
-       "parkinsons_2048                           0.0                            0.0   \n",
-       "parkinsons_2049                           0.0                            0.0   \n",
-       "\n",
-       "                 Descriptor_RDkit_fr_unbrch_alkane  Descriptor_RDkit_fr_urea  \n",
-       "QSPRID                                                                        \n",
-       "parkinsons_0                                   0.0                       0.0  \n",
-       "parkinsons_1                                   0.0                       0.0  \n",
-       "parkinsons_2                                   0.0                       0.0  \n",
-       "parkinsons_3                                   0.0                       0.0  \n",
-       "parkinsons_4                                   0.0                       1.0  \n",
-       "...                                            ...                       ...  \n",
-       "parkinsons_2045                                0.0                       0.0  \n",
-       "parkinsons_2046                                0.0                       0.0  \n",
-       "parkinsons_2047                                0.0                       0.0  \n",
-       "parkinsons_2048                                0.0                       0.0  \n",
-       "parkinsons_2049                                0.0                       0.0  \n",
-       "\n",
-       "[2050 rows x 2256 columns]"
-      ]
-     },
-     "execution_count": 31,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_qspr.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "At this point, this data set is ready to be used for machine learning, which will be addressed in the [following tutorial](tutorial_training.ipynb). More advanced features like interfacing with the [Papyrus data set](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00672-x), calculating protein descriptors or adding your own descriptors are covered in the [Advanced Data Preparation](data_preparation_advanced.ipynb) notebook."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 31,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": []
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "Python 3",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 2
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython2",
-   "version": "3.10.11"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 0
-}
diff --git a/tutorial/data_preparation_advanced.ipynb b/tutorial/data_preparation_advanced.ipynb
deleted file mode 100644
index 1d3726ca..00000000
--- a/tutorial/data_preparation_advanced.ipynb
+++ /dev/null
@@ -1,3093 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "# Data Preparation - Advanced Features\n",
-    "\n",
-    "In this notebook, we will explore the advanced features of the data preparation modules. We will start with more advanced data integration options with the `Papyrus` class and then move on to calculating protein descriptors and working with molecule scaffolds.\n",
-    "\n",
-    "## Interfacing with Papyrus\n",
-    "\n",
-    "The `Papyrus` class is a wrapper around the [Papyrus data set](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00672-x) and its [associated scripts](https://github.com/OlivierBeq/Papyrus-scripts). The class fetches the data set and allows to perform efficient filtering and queries for some common tasks. In this tutorial, we will show how to fetch bioactivity data for a particular set of protein targets as well as the protein sequences that will be later used to calculate protein descriptors for PCM models.\n",
-    "\n",
-    "### Fetching Bioactivity Data\n",
-    "\n",
-    "We can use the following code to fetch bioactivity data for multiple adenosine receptor subtypes at once:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 3\n",
-      "Total size: 33.0MB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "267b0b7dd5214f4c9f9daaef402ade5b",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Using existing data from data/AR_LIGANDS.tsv...\n"
-     ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/zfsdata/data/linde/QSPRpred/qsprpred/data/data.py:567: UserWarning: Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n",
-      "  super().__init__(name, df, store_dir, overwrite, index_cols, n_jobs, chunk_size)\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.data.data.MoleculeTable at 0x7f7e2abfabf0>"
-      ]
-     },
-     "execution_count": 2,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.data.sources.papyrus import Papyrus\n",
-    "\n",
-    "acc_keys = [\"P29274\", \"P29275\", \"P30542\", \"P0DMS8\"]\n",
-    "dataset_name = \"AR_LIGANDS\"  # name of the file to be generated\n",
-    "quality = \"high\"  # choose minimum quality from {\"high\", \"medium\", \"low\"}\n",
-    "papyrus_version = '05.6'  # Papyrus database version\n",
-    "data_dir = \"data\"\n",
-    "\n",
-    "papyrus = Papyrus(\n",
-    "    data_dir=data_dir,\n",
-    "    version=papyrus_version,\n",
-    "    stereo=False,\n",
-    "    plus_only=True,\n",
-    ")\n",
-    "\n",
-    "mt = papyrus.getData(\n",
-    "    acc_keys,\n",
-    "    quality,\n",
-    "    name=dataset_name,\n",
-    "    use_existing=True,\n",
-    "    activity_types=[\"Ki\", \"IC50\", \"Kd\"]\n",
-    ")\n",
-    "mt"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Activity_ID</th>\n",
-       "      <th>Quality</th>\n",
-       "      <th>source</th>\n",
-       "      <th>CID</th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>connectivity</th>\n",
-       "      <th>InChIKey</th>\n",
-       "      <th>InChI</th>\n",
-       "      <th>InChI_AuxInfo</th>\n",
-       "      <th>target_id</th>\n",
-       "      <th>...</th>\n",
-       "      <th>pchembl_value</th>\n",
-       "      <th>pchembl_value_Mean</th>\n",
-       "      <th>pchembl_value_StdDev</th>\n",
-       "      <th>pchembl_value_SEM</th>\n",
-       "      <th>pchembl_value_N</th>\n",
-       "      <th>pchembl_value_Median</th>\n",
-       "      <th>pchembl_value_MAD</th>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th>pchembl_value_Median_class</th>\n",
-       "      <th>Split_IsTrain</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_0</th>\n",
-       "      <td>AACWUFIIMOHGSO_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.91968</td>\n",
-       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
-       "      <td>AACWUFIIMOHGSO</td>\n",
-       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_0</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1</th>\n",
-       "      <td>AACWUFIIMOHGSO_on_P30542_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.91968</td>\n",
-       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
-       "      <td>AACWUFIIMOHGSO</td>\n",
-       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
-       "      <td>P30542_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_1</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2</th>\n",
-       "      <td>AAEYTMMNWWKSKZ_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.131451</td>\n",
-       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
-       "      <td>AAEYTMMNWWKSKZ</td>\n",
-       "      <td>AAEYTMMNWWKSKZ-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_2</td>\n",
-       "      <td>False</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3</th>\n",
-       "      <td>AAGFKZWKWAMJNP_on_P0DMS8_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.100375</td>\n",
-       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
-       "      <td>AAGFKZWKWAMJNP</td>\n",
-       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
-       "      <td>P0DMS8_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_3</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_4</th>\n",
-       "      <td>AAGFKZWKWAMJNP_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.100375</td>\n",
-       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
-       "      <td>AAGFKZWKWAMJNP</td>\n",
-       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_4</td>\n",
-       "      <td>False</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12452</th>\n",
-       "      <td>ZZMIPZLRKFEGIA_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.202018</td>\n",
-       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
-       "      <td>ZZMIPZLRKFEGIA</td>\n",
-       "      <td>ZZMIPZLRKFEGIA-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11...</td>\n",
-       "      <td>\"AuxInfo=1/0/N:1,24,22,18,2,9,7,25,10,6,26,3,1...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12452</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12453</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P0DMS8_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P0DMS8_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12453</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12454</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12454</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12455</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P29275_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P29275_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12455</td>\n",
-       "      <td>False</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12456</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P30542_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P30542_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12456</td>\n",
-       "      <td>True</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>12457 rows × 35 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                  Activity_ID Quality    source  \\\n",
-       "QSPRID                                                            \n",
-       "AR_LIGANDS_0      AACWUFIIMOHGSO_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_1      AACWUFIIMOHGSO_on_P30542_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_2      AAEYTMMNWWKSKZ_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_3      AAGFKZWKWAMJNP_on_P0DMS8_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_4      AAGFKZWKWAMJNP_on_P29274_WT    High  ChEMBL31   \n",
-       "...                                       ...     ...       ...   \n",
-       "AR_LIGANDS_12452  ZZMIPZLRKFEGIA_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12453  ZZXIVHBZTITUIW_on_P0DMS8_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12454  ZZXIVHBZTITUIW_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12455  ZZXIVHBZTITUIW_on_P29275_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12456  ZZXIVHBZTITUIW_on_P30542_WT    High  ChEMBL31   \n",
-       "\n",
-       "                                       CID  \\\n",
-       "QSPRID                                       \n",
-       "AR_LIGANDS_0       ChEMBL31.compound.91968   \n",
-       "AR_LIGANDS_1       ChEMBL31.compound.91968   \n",
-       "AR_LIGANDS_2      ChEMBL31.compound.131451   \n",
-       "AR_LIGANDS_3      ChEMBL31.compound.100375   \n",
-       "AR_LIGANDS_4      ChEMBL31.compound.100375   \n",
-       "...                                    ...   \n",
-       "AR_LIGANDS_12452  ChEMBL31.compound.202018   \n",
-       "AR_LIGANDS_12453  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12454  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12455  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12456  ChEMBL31.compound.248509   \n",
-       "\n",
-       "                                                             SMILES  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
-       "AR_LIGANDS_1      Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
-       "AR_LIGANDS_2      Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
-       "AR_LIGANDS_3       O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
-       "AR_LIGANDS_4       O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
-       "AR_LIGANDS_12453           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12454           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12455           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12456           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "\n",
-       "                    connectivity                     InChIKey  \\\n",
-       "QSPRID                                                          \n",
-       "AR_LIGANDS_0      AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_1      AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_2      AAEYTMMNWWKSKZ  AAEYTMMNWWKSKZ-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_3      AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_4      AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
-       "...                          ...                          ...   \n",
-       "AR_LIGANDS_12452  ZZMIPZLRKFEGIA  ZZMIPZLRKFEGIA-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12453  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12454  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12455  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12456  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "\n",
-       "                                                              InChI  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
-       "AR_LIGANDS_1      InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
-       "AR_LIGANDS_2      InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...   \n",
-       "AR_LIGANDS_3      InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
-       "AR_LIGANDS_4      InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452  InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11...   \n",
-       "AR_LIGANDS_12453  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12454  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12455  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12456  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "\n",
-       "                                                      InChI_AuxInfo  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
-       "AR_LIGANDS_1      \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
-       "AR_LIGANDS_2      \"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...   \n",
-       "AR_LIGANDS_3      \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
-       "AR_LIGANDS_4      \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452  \"AuxInfo=1/0/N:1,24,22,18,2,9,7,25,10,6,26,3,1...   \n",
-       "AR_LIGANDS_12453  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12454  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12455  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12456  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "\n",
-       "                  target_id  ... pchembl_value pchembl_value_Mean  \\\n",
-       "QSPRID                       ...                                    \n",
-       "AR_LIGANDS_0      P29274_WT  ...          8.68               8.68   \n",
-       "AR_LIGANDS_1      P30542_WT  ...          6.68               6.68   \n",
-       "AR_LIGANDS_2      P29274_WT  ...          4.82               4.82   \n",
-       "AR_LIGANDS_3      P0DMS8_WT  ...          7.15               7.15   \n",
-       "AR_LIGANDS_4      P29274_WT  ...          5.65               5.65   \n",
-       "...                     ...  ...           ...                ...   \n",
-       "AR_LIGANDS_12452  P29274_WT  ...          6.51               6.51   \n",
-       "AR_LIGANDS_12453  P0DMS8_WT  ...          7.61               7.61   \n",
-       "AR_LIGANDS_12454  P29274_WT  ...          7.35               7.35   \n",
-       "AR_LIGANDS_12455  P29275_WT  ...          5.15               5.15   \n",
-       "AR_LIGANDS_12456  P30542_WT  ...          7.34               7.34   \n",
-       "\n",
-       "                 pchembl_value_StdDev pchembl_value_SEM pchembl_value_N  \\\n",
-       "QSPRID                                                                    \n",
-       "AR_LIGANDS_0                      0.0               0.0             1.0   \n",
-       "AR_LIGANDS_1                      0.0               0.0             1.0   \n",
-       "AR_LIGANDS_2                      0.0               0.0             1.0   \n",
-       "AR_LIGANDS_3                      0.0               0.0             1.0   \n",
-       "AR_LIGANDS_4                      0.0               0.0             1.0   \n",
-       "...                               ...               ...             ...   \n",
-       "AR_LIGANDS_12452                  0.0               0.0             1.0   \n",
-       "AR_LIGANDS_12453                  0.0               0.0             1.0   \n",
-       "AR_LIGANDS_12454                  0.0               0.0             1.0   \n",
-       "AR_LIGANDS_12455                  0.0               0.0             1.0   \n",
-       "AR_LIGANDS_12456                  0.0               0.0             1.0   \n",
-       "\n",
-       "                  pchembl_value_Median pchembl_value_MAD            QSPRID  \\\n",
-       "QSPRID                                                                       \n",
-       "AR_LIGANDS_0                      8.68               0.0      AR_LIGANDS_0   \n",
-       "AR_LIGANDS_1                      6.68               0.0      AR_LIGANDS_1   \n",
-       "AR_LIGANDS_2                      4.82               0.0      AR_LIGANDS_2   \n",
-       "AR_LIGANDS_3                      7.15               0.0      AR_LIGANDS_3   \n",
-       "AR_LIGANDS_4                      5.65               0.0      AR_LIGANDS_4   \n",
-       "...                                ...               ...               ...   \n",
-       "AR_LIGANDS_12452                  6.51               0.0  AR_LIGANDS_12452   \n",
-       "AR_LIGANDS_12453                  7.61               0.0  AR_LIGANDS_12453   \n",
-       "AR_LIGANDS_12454                  7.35               0.0  AR_LIGANDS_12454   \n",
-       "AR_LIGANDS_12455                  5.15               0.0  AR_LIGANDS_12455   \n",
-       "AR_LIGANDS_12456                  7.34               0.0  AR_LIGANDS_12456   \n",
-       "\n",
-       "                 pchembl_value_Median_class Split_IsTrain  \n",
-       "QSPRID                                                     \n",
-       "AR_LIGANDS_0                           True          True  \n",
-       "AR_LIGANDS_1                           True          True  \n",
-       "AR_LIGANDS_2                          False          True  \n",
-       "AR_LIGANDS_3                           True          True  \n",
-       "AR_LIGANDS_4                          False          True  \n",
-       "...                                     ...           ...  \n",
-       "AR_LIGANDS_12452                       True          True  \n",
-       "AR_LIGANDS_12453                       True          True  \n",
-       "AR_LIGANDS_12454                       True          True  \n",
-       "AR_LIGANDS_12455                      False          True  \n",
-       "AR_LIGANDS_12456                       True          True  \n",
-       "\n",
-       "[12457 rows x 35 columns]"
-      ]
-     },
-     "execution_count": 3,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "mt.getDF()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "By default, the method returns a `MoleculeTable` so if you want to turn it into a `QSPRDataset` for modeling, you have to use the `fromMolTable` helper method:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/zfsdata/data/linde/QSPRpred/qsprpred/data/data.py:567: UserWarning: Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n",
-      "  super().__init__(name, df, store_dir, overwrite, index_cols, n_jobs, chunk_size)\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[TargetProperty(name=pchembl_value_Median_class, task=SINGLECLASS, th=[6.5])]"
-      ]
-     },
-     "execution_count": 4,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.tasks import TargetTasks\n",
-    "from qsprpred.data.data import QSPRDataset\n",
-    "\n",
-    "target_props=[{\"name\": \"pchembl_value_Median\", \"task\": TargetTasks.SINGLECLASS, \"th\": [6.5]}]\n",
-    "ds = QSPRDataset.fromMolTable(mt, target_props=target_props)\n",
-    "ds.targetProperties"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "### Fetching Protein Data\n",
-    "\n",
-    "In addition, it is also possible to easily fetch the sequences for our proteins:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 3\n",
-      "Total size: 33.0MB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "29017be9a9774d05b5aea4b6f344fb89",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>target_id</th>\n",
-       "      <th>HGNC_symbol</th>\n",
-       "      <th>UniProtID</th>\n",
-       "      <th>Status</th>\n",
-       "      <th>Organism</th>\n",
-       "      <th>Classification</th>\n",
-       "      <th>Length</th>\n",
-       "      <th>Sequence</th>\n",
-       "      <th>TID</th>\n",
-       "      <th>accession</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>P29275_WT</td>\n",
-       "      <td>ADORA2B</td>\n",
-       "      <td>AA2BR_HUMAN</td>\n",
-       "      <td>reviewed</td>\n",
-       "      <td>Homo sapiens (Human)</td>\n",
-       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
-       "      <td>332</td>\n",
-       "      <td>MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFL...</td>\n",
-       "      <td>ChEMBL:CHEMBL255;ChEMBL:CHEMBL255;ChEMBL:CHEMB...</td>\n",
-       "      <td>P29275</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>P30542_WT</td>\n",
-       "      <td>ADORA1</td>\n",
-       "      <td>AA1R_HUMAN</td>\n",
-       "      <td>reviewed</td>\n",
-       "      <td>Homo sapiens (Human)</td>\n",
-       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
-       "      <td>326</td>\n",
-       "      <td>MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFC...</td>\n",
-       "      <td>ChEMBL:CHEMBL226;ChEMBL:CHEMBL226;ChEMBL:CHEMB...</td>\n",
-       "      <td>P30542</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>ADORA2A</td>\n",
-       "      <td>AA2AR_HUMAN</td>\n",
-       "      <td>reviewed</td>\n",
-       "      <td>Homo sapiens (Human)</td>\n",
-       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
-       "      <td>412</td>\n",
-       "      <td>MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVV...</td>\n",
-       "      <td>ChEMBL:CHEMBL251;ChEMBL:CHEMBL251;ChEMBL:CHEMB...</td>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>P0DMS8_WT</td>\n",
-       "      <td>ADORA3</td>\n",
-       "      <td>AA3R_HUMAN</td>\n",
-       "      <td>reviewed</td>\n",
-       "      <td>Homo sapiens (Human)</td>\n",
-       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
-       "      <td>318</td>\n",
-       "      <td>MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTT...</td>\n",
-       "      <td>ChEMBL:CHEMBL256;ChEMBL:CHEMBL256;ChEMBL:CHEMB...</td>\n",
-       "      <td>P0DMS8</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "   target_id HGNC_symbol    UniProtID    Status              Organism  \\\n",
-       "0  P29275_WT     ADORA2B  AA2BR_HUMAN  reviewed  Homo sapiens (Human)   \n",
-       "1  P30542_WT      ADORA1   AA1R_HUMAN  reviewed  Homo sapiens (Human)   \n",
-       "2  P29274_WT     ADORA2A  AA2AR_HUMAN  reviewed  Homo sapiens (Human)   \n",
-       "3  P0DMS8_WT      ADORA3   AA3R_HUMAN  reviewed  Homo sapiens (Human)   \n",
-       "\n",
-       "                                      Classification  Length  \\\n",
-       "0  Membrane receptor->Family A G protein-coupled ...     332   \n",
-       "1  Membrane receptor->Family A G protein-coupled ...     326   \n",
-       "2  Membrane receptor->Family A G protein-coupled ...     412   \n",
-       "3  Membrane receptor->Family A G protein-coupled ...     318   \n",
-       "\n",
-       "                                            Sequence  \\\n",
-       "0  MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFL...   \n",
-       "1  MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFC...   \n",
-       "2  MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVV...   \n",
-       "3  MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTT...   \n",
-       "\n",
-       "                                                 TID accession  \n",
-       "0  ChEMBL:CHEMBL255;ChEMBL:CHEMBL255;ChEMBL:CHEMB...    P29275  \n",
-       "1  ChEMBL:CHEMBL226;ChEMBL:CHEMBL226;ChEMBL:CHEMB...    P30542  \n",
-       "2  ChEMBL:CHEMBL251;ChEMBL:CHEMBL251;ChEMBL:CHEMB...    P29274  \n",
-       "3  ChEMBL:CHEMBL256;ChEMBL:CHEMBL256;ChEMBL:CHEMB...    P0DMS8  "
-      ]
-     },
-     "execution_count": 5,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_seq = papyrus.getProteinData(acc_keys, name=f\"{ds.name}_seqs\", use_existing=True)\n",
-    "ds_seq"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The  keys used to fetch the data are saved in the `accession` colum in the resulting data frame:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "0    P29275\n",
-       "1    P30542\n",
-       "2    P29274\n",
-       "3    P0DMS8\n",
-       "Name: accession, dtype: object"
-      ]
-     },
-     "execution_count": 6,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds_seq.accession"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "We can find the same column in our data set as well so it is possible to match sequences to bioactivity data now:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 7,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>accession</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_0</th>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1</th>\n",
-       "      <td>P30542</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2</th>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3</th>\n",
-       "      <td>P0DMS8</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_4</th>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12452</th>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12453</th>\n",
-       "      <td>P0DMS8</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12454</th>\n",
-       "      <td>P29274</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12455</th>\n",
-       "      <td>P29275</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12456</th>\n",
-       "      <td>P30542</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>12457 rows × 1 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                 accession\n",
-       "QSPRID                    \n",
-       "AR_LIGANDS_0        P29274\n",
-       "AR_LIGANDS_1        P30542\n",
-       "AR_LIGANDS_2        P29274\n",
-       "AR_LIGANDS_3        P0DMS8\n",
-       "AR_LIGANDS_4        P29274\n",
-       "...                    ...\n",
-       "AR_LIGANDS_12452    P29274\n",
-       "AR_LIGANDS_12453    P0DMS8\n",
-       "AR_LIGANDS_12454    P29274\n",
-       "AR_LIGANDS_12455    P29275\n",
-       "AR_LIGANDS_12456    P30542\n",
-       "\n",
-       "[12457 rows x 1 columns]"
-      ]
-     },
-     "execution_count": 7,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getSubset(\"accession\")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Calculating Protein Descriptors\n",
-    "\n",
-    "In this section, we will show how to connect the information about sequences with our data set and calculate protein descriptors using multiple sequence alignment and the `PCMDataSet` class from the `qsprpred.extra` package. First, let us convert the original data set saved in the `ds` variable to a `PCMDataSet`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/zfsdata/data/linde/QSPRpred/qsprpred/data/data.py:567: UserWarning: Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n",
-      "  super().__init__(name, df, store_dir, overwrite, index_cols, n_jobs, chunk_size)\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.extra_cpu.data.data.PCMDataSet at 0x7f7e2814a020>"
-      ]
-     },
-     "execution_count": 8,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.extra.data.data import PCMDataSet\n",
-    "\n",
-    "def sequence_provider(acc_keys):\n",
-    "    \"\"\"\n",
-    "    A function that provides a mapping from accession key to a protein sequence.\n",
-    "\n",
-    "    Args:\n",
-    "        acc_keys (list): Accession keys of the protein to get a sequences for.\n",
-    "\n",
-    "    Returns:\n",
-    "        (dict) : Mapping of accession keys to protein sequences.\n",
-    "        (dict) : Additional information to pass to the MSA provider (can be empty).\n",
-    "    \"\"\"\n",
-    "    map = dict()\n",
-    "    info = dict()\n",
-    "    for i, row in ds_seq.iterrows():\n",
-    "        map[row['accession']] = row['Sequence']\n",
-    "\n",
-    "        # can be omitted\n",
-    "        info[row['accession']] = {\n",
-    "            'Organism': row['Organism'],\n",
-    "            'UniProtID': row['UniProtID'],\n",
-    "        }\n",
-    "\n",
-    "    return map, info\n",
-    "\n",
-    "ds = PCMDataSet.fromMolTable(\n",
-    "    ds,\n",
-    "    name=ds.name,\n",
-    "    protein_col=\"accession\",\n",
-    "    protein_seq_provider=sequence_provider,\n",
-    "    store_dir=\"./data\",\n",
-    "    target_props=ds.targetProperties\n",
-    ")\n",
-    "ds"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "`PCMDataset` knows how to connect accession keys to sequences thanks to `proteinCol` and `proteinSeqProvider`, and it will automatically create a multiple sequence alignment (MSA) for us when calculating protein descriptors, which is facilitated through the `addProteinDescriptors` method and a `ProteinDescriptorCalculator`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Protein descriptors already exist in AR_LIGANDS. Use `recalculate=True` to overwrite them.\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.extra.data.utils.descriptorcalculator import ProteinDescriptorCalculator\n",
-    "from qsprpred.extra.data.utils.descriptorsets import ProDec\n",
-    "from qsprpred.extra.data.utils.descriptor_utils.msa_calculator import ClustalMSA\n",
-    "\n",
-    "calc = ProteinDescriptorCalculator(\n",
-    "    desc_sets=[ProDec(sets=[\"Zscale Hellberg\"])],\n",
-    "    msa_provider=ClustalMSA(out_dir=ds.storeDir)\n",
-    ")\n",
-    "ds.addProteinDescriptors(calc)"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "We can check the descriptor matrix:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
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-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
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-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_0</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_1</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_2</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_3</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_4</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_5</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_6</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_7</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_8</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_9</th>\n",
-       "      <th>...</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1269</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1270</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1271</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1272</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1273</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1274</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1275</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1276</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1277</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1278</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_0</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.09</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.09</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_4</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.09</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12452</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.09</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12453</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12454</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.09</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12455</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12456</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>12457 rows × 3326 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                  Descriptor_FingerprintSet_MorganFP_0  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_1  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_3  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_4  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_5  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_6  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_7  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_8  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_9  ...  \\\n",
-       "QSPRID                                                  ...   \n",
-       "AR_LIGANDS_0                                       0.0  ...   \n",
-       "AR_LIGANDS_1                                       0.0  ...   \n",
-       "AR_LIGANDS_2                                       0.0  ...   \n",
-       "AR_LIGANDS_3                                       0.0  ...   \n",
-       "AR_LIGANDS_4                                       0.0  ...   \n",
-       "...                                                ...  ...   \n",
-       "AR_LIGANDS_12452                                   0.0  ...   \n",
-       "AR_LIGANDS_12453                                   0.0  ...   \n",
-       "AR_LIGANDS_12454                                   0.0  ...   \n",
-       "AR_LIGANDS_12455                                   0.0  ...   \n",
-       "AR_LIGANDS_12456                                   0.0  ...   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1269  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   0.09   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   0.09   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   0.09   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               0.09   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               0.09   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1270  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   2.23   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   2.23   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   2.23   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               2.23   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               2.23   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1271  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -5.36   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -5.36   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -5.36   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -5.36   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -5.36   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1272  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                    0.3   \n",
-       "AR_LIGANDS_1                                    0.0   \n",
-       "AR_LIGANDS_2                                    0.3   \n",
-       "AR_LIGANDS_3                                    0.0   \n",
-       "AR_LIGANDS_4                                    0.3   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                                0.3   \n",
-       "AR_LIGANDS_12453                                0.0   \n",
-       "AR_LIGANDS_12454                                0.3   \n",
-       "AR_LIGANDS_12455                                0.0   \n",
-       "AR_LIGANDS_12456                                0.0   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1273  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.69   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.69   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.69   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.69   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.69   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1274  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.53   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.53   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.53   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.53   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.53   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1275  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.29   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.29   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.29   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.29   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.29   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1276  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   1.96   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   1.96   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   1.96   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               1.96   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               1.96   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1277  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.63   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.63   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.63   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.63   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.63   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1278  \n",
-       "QSPRID                                               \n",
-       "AR_LIGANDS_0                                   0.57  \n",
-       "AR_LIGANDS_1                                   0.00  \n",
-       "AR_LIGANDS_2                                   0.57  \n",
-       "AR_LIGANDS_3                                   0.00  \n",
-       "AR_LIGANDS_4                                   0.57  \n",
-       "...                                             ...  \n",
-       "AR_LIGANDS_12452                               0.57  \n",
-       "AR_LIGANDS_12453                               0.00  \n",
-       "AR_LIGANDS_12454                               0.57  \n",
-       "AR_LIGANDS_12455                               0.00  \n",
-       "AR_LIGANDS_12456                               0.00  \n",
-       "\n",
-       "[12457 rows x 3326 columns]"
-      ]
-     },
-     "execution_count": 10,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "We can of course combine this with molecular descriptors as well:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Molecular descriptors already exist in AR_LIGANDS. Use `recalculate=True` to overwrite them.\n"
-     ]
-    },
-    {
-     "data": {
-      "text/html": [
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-       "      <th>Descriptor_FingerprintSet_MorganFP_0</th>\n",
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-       "<p>12457 rows × 3326 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                  Descriptor_FingerprintSet_MorganFP_0  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_1  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_3  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_4  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_5  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_6  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_7  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_8  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_9  ...  \\\n",
-       "QSPRID                                                  ...   \n",
-       "AR_LIGANDS_0                                       0.0  ...   \n",
-       "AR_LIGANDS_1                                       0.0  ...   \n",
-       "AR_LIGANDS_2                                       0.0  ...   \n",
-       "AR_LIGANDS_3                                       0.0  ...   \n",
-       "AR_LIGANDS_4                                       0.0  ...   \n",
-       "...                                                ...  ...   \n",
-       "AR_LIGANDS_12452                                   0.0  ...   \n",
-       "AR_LIGANDS_12453                                   0.0  ...   \n",
-       "AR_LIGANDS_12454                                   0.0  ...   \n",
-       "AR_LIGANDS_12455                                   0.0  ...   \n",
-       "AR_LIGANDS_12456                                   0.0  ...   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1269  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   0.09   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   0.09   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   0.09   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               0.09   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               0.09   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1270  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   2.23   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   2.23   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   2.23   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               2.23   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               2.23   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1271  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -5.36   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -5.36   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -5.36   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -5.36   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -5.36   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1272  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                    0.3   \n",
-       "AR_LIGANDS_1                                    0.0   \n",
-       "AR_LIGANDS_2                                    0.3   \n",
-       "AR_LIGANDS_3                                    0.0   \n",
-       "AR_LIGANDS_4                                    0.3   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                                0.3   \n",
-       "AR_LIGANDS_12453                                0.0   \n",
-       "AR_LIGANDS_12454                                0.3   \n",
-       "AR_LIGANDS_12455                                0.0   \n",
-       "AR_LIGANDS_12456                                0.0   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1273  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.69   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.69   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.69   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.69   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.69   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1274  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.53   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.53   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.53   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.53   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.53   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1275  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.29   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.29   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.29   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.29   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.29   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1276  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   1.96   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   1.96   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   1.96   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               1.96   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               1.96   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1277  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.63   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.63   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.63   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.63   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.63   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1278  \n",
-       "QSPRID                                               \n",
-       "AR_LIGANDS_0                                   0.57  \n",
-       "AR_LIGANDS_1                                   0.00  \n",
-       "AR_LIGANDS_2                                   0.57  \n",
-       "AR_LIGANDS_3                                   0.00  \n",
-       "AR_LIGANDS_4                                   0.57  \n",
-       "...                                             ...  \n",
-       "AR_LIGANDS_12452                               0.57  \n",
-       "AR_LIGANDS_12453                               0.00  \n",
-       "AR_LIGANDS_12454                               0.57  \n",
-       "AR_LIGANDS_12455                               0.00  \n",
-       "AR_LIGANDS_12456                               0.00  \n",
-       "\n",
-       "[12457 rows x 3326 columns]"
-      ]
-     },
-     "execution_count": 11,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.descriptorsets import RDKitDescs\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "\n",
-    "ds.nJobs = 12 # speeding things up a little\n",
-    "calc = MoleculeDescriptorsCalculator(desc_sets=[RDKitDescs()])\n",
-    "ds.addDescriptors(calc)\n",
-    "ds.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Adding Precalculated Descriptors\n",
-    "\n",
-    "It is also possible to add custom precalculated descriptors. We just need to use the appropriate method and calculator. Let's consider a hypothetical example of adding the `Year` column as a descriptor:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 12,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
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-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_0</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_1</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_2</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_3</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_4</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_5</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_6</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_7</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_8</th>\n",
-       "      <th>Descriptor_FingerprintSet_MorganFP_9</th>\n",
-       "      <th>...</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1270</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1271</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1272</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1273</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1274</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1275</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1276</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1277</th>\n",
-       "      <th>Descriptor_PCM_ProDec_Zscale_1278</th>\n",
-       "      <th>Descriptor_Custom_DataFrame_Year</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_0</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
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-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "      <td>2008.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>2008.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "      <td>2010.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
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-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>2009.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_4</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "      <td>2009.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12452</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "      <td>2013.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12453</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>2014.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12454</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>-5.36</td>\n",
-       "      <td>0.3</td>\n",
-       "      <td>-2.69</td>\n",
-       "      <td>-2.53</td>\n",
-       "      <td>-1.29</td>\n",
-       "      <td>1.96</td>\n",
-       "      <td>-1.63</td>\n",
-       "      <td>0.57</td>\n",
-       "      <td>2014.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12455</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>2014.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12456</th>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>2014.0</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>12457 rows × 3327 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                  Descriptor_FingerprintSet_MorganFP_0  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_1  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_3  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_4  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_5  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_6  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_7  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   1.0   \n",
-       "AR_LIGANDS_12454                                   1.0   \n",
-       "AR_LIGANDS_12455                                   1.0   \n",
-       "AR_LIGANDS_12456                                   1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_8  \\\n",
-       "QSPRID                                                   \n",
-       "AR_LIGANDS_0                                       0.0   \n",
-       "AR_LIGANDS_1                                       0.0   \n",
-       "AR_LIGANDS_2                                       0.0   \n",
-       "AR_LIGANDS_3                                       0.0   \n",
-       "AR_LIGANDS_4                                       0.0   \n",
-       "...                                                ...   \n",
-       "AR_LIGANDS_12452                                   0.0   \n",
-       "AR_LIGANDS_12453                                   0.0   \n",
-       "AR_LIGANDS_12454                                   0.0   \n",
-       "AR_LIGANDS_12455                                   0.0   \n",
-       "AR_LIGANDS_12456                                   0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_9  ...  \\\n",
-       "QSPRID                                                  ...   \n",
-       "AR_LIGANDS_0                                       0.0  ...   \n",
-       "AR_LIGANDS_1                                       0.0  ...   \n",
-       "AR_LIGANDS_2                                       0.0  ...   \n",
-       "AR_LIGANDS_3                                       0.0  ...   \n",
-       "AR_LIGANDS_4                                       0.0  ...   \n",
-       "...                                                ...  ...   \n",
-       "AR_LIGANDS_12452                                   0.0  ...   \n",
-       "AR_LIGANDS_12453                                   0.0  ...   \n",
-       "AR_LIGANDS_12454                                   0.0  ...   \n",
-       "AR_LIGANDS_12455                                   0.0  ...   \n",
-       "AR_LIGANDS_12456                                   0.0  ...   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1270  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   2.23   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   2.23   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   2.23   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               2.23   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               2.23   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1271  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -5.36   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -5.36   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -5.36   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -5.36   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -5.36   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1272  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                    0.3   \n",
-       "AR_LIGANDS_1                                    0.0   \n",
-       "AR_LIGANDS_2                                    0.3   \n",
-       "AR_LIGANDS_3                                    0.0   \n",
-       "AR_LIGANDS_4                                    0.3   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                                0.3   \n",
-       "AR_LIGANDS_12453                                0.0   \n",
-       "AR_LIGANDS_12454                                0.3   \n",
-       "AR_LIGANDS_12455                                0.0   \n",
-       "AR_LIGANDS_12456                                0.0   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1273  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.69   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.69   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.69   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.69   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.69   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1274  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -2.53   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -2.53   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -2.53   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -2.53   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -2.53   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1275  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.29   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.29   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.29   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.29   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.29   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1276  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   1.96   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   1.96   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   1.96   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               1.96   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               1.96   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1277  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                  -1.63   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                  -1.63   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                  -1.63   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                              -1.63   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                              -1.63   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_1278  \\\n",
-       "QSPRID                                                \n",
-       "AR_LIGANDS_0                                   0.57   \n",
-       "AR_LIGANDS_1                                   0.00   \n",
-       "AR_LIGANDS_2                                   0.57   \n",
-       "AR_LIGANDS_3                                   0.00   \n",
-       "AR_LIGANDS_4                                   0.57   \n",
-       "...                                             ...   \n",
-       "AR_LIGANDS_12452                               0.57   \n",
-       "AR_LIGANDS_12453                               0.00   \n",
-       "AR_LIGANDS_12454                               0.57   \n",
-       "AR_LIGANDS_12455                               0.00   \n",
-       "AR_LIGANDS_12456                               0.00   \n",
-       "\n",
-       "                  Descriptor_Custom_DataFrame_Year  \n",
-       "QSPRID                                              \n",
-       "AR_LIGANDS_0                                2008.0  \n",
-       "AR_LIGANDS_1                                2008.0  \n",
-       "AR_LIGANDS_2                                2010.0  \n",
-       "AR_LIGANDS_3                                2009.0  \n",
-       "AR_LIGANDS_4                                2009.0  \n",
-       "...                                            ...  \n",
-       "AR_LIGANDS_12452                            2013.0  \n",
-       "AR_LIGANDS_12453                            2014.0  \n",
-       "AR_LIGANDS_12454                            2014.0  \n",
-       "AR_LIGANDS_12455                            2014.0  \n",
-       "AR_LIGANDS_12456                            2014.0  \n",
-       "\n",
-       "[12457 rows x 3327 columns]"
-      ]
-     },
-     "execution_count": 12,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.descriptorcalculator import CustomDescriptorsCalculator\n",
-    "from qsprpred.data.utils.descriptorsets import DataFrameDescriptorSet\n",
-    "\n",
-    "calc = CustomDescriptorsCalculator(desc_sets=[\n",
-    "    DataFrameDescriptorSet(ds.getDF()[[\"Year\"]]) # just an example, not useful as a real descriptor\n",
-    "])\n",
-    "ds.addCustomDescriptors(calc)\n",
-    "ds.getDescriptors()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The only condition on the data frame passed to the `DataFrameDescriptorSet` is that it has the same index as the underlying data frame wrapped in the `MoleculeTable` or `QSPRDataset` we want to add the descriptors to.\n",
-    "\n",
-    "**WARNING:** Adding custom descriptors is tricky when you want to use the trained models for prediction. The model will not know how to calculate these descriptors for unknown compounds. So the use of this functionality should be limited to data set preparation or model evaluation on known sets only."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": []
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "Python 3",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.10"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 0
-}
diff --git a/tutorial/datasets.py b/tutorial/datasets.py
deleted file mode 100644
index fa27012e..00000000
--- a/tutorial/datasets.py
+++ /dev/null
@@ -1,194 +0,0 @@
-import os
-
-import numpy as np
-import pandas as pd
-from sklearn.impute import SimpleImputer
-
-from qsprpred.data.data import QSPRDataset
-from qsprpred.data.sources.papyrus import Papyrus
-from qsprpred.models.tasks import TargetTasks
-
-
-def A2AR(data_dir="data"):
-    """A classification dataset that contains activity data on the adenosine A2A
-    receptor loaded from the Papyrus database using the built-in Papyrus wrapper.
-
-    Returns:
-        a `QSPRDataset` instance with the loaded data
-    """
-    acc_keys = [
-        "P29274"
-    ]  # Adenosine receptor A2A (https://www.uniprot.org/uniprotkb/P29274/entry)
-    dataset_name = "A2A_LIGANDS"  # name of the file to be generated
-    quality = "high"  # choose minimum quality from {"high", "medium", "low"}
-    papyrus_version = "05.6"  # Papyrus database version
-
-    papyrus = Papyrus(
-        data_dir=data_dir,
-        stereo=False,
-        version=papyrus_version,
-        plus_only=True,
-    )
-
-    dataset = papyrus.getData(
-        acc_keys, quality, name=dataset_name, use_existing=True, overwrite=True
-    )
-
-    print(f"Number of samples loaded: {len(dataset.getDF())}")
-    return QSPRDataset.fromMolTable(
-        dataset, [
-            {
-                "name": "pchembl_value_Median",
-                "task": TargetTasks.SINGLECLASS,
-                "th": [6.5]
-            }
-        ],
-        overwrite=True
-    )
-
-
-def Parkinsons(singletask=True):
-    """Parkinson's disease dataset that contains data for multiple targets related to
-    the disease.
-
-    It is loaded from a CSV file into pandas `DataFrame`. This is then converted to
-    `QSPRDataset` regression data set with 'GABAAalpha' activity as the target property
-    for single task & the mGLU receptors for multitask.
-
-    Returns:
-        a `QSPRDataset` instance with the loaded data
-    """
-    os.makedirs("qspr/data", exist_ok=True)
-
-    # Load in the data
-    df = pd.read_csv("data/parkinsons_dp_original.csv", sep=",")
-
-    smiles_col = "SMILES"
-    activity_col = "pchembl_value_Mean"
-    target_col = "accession"
-
-    # combine uniprot accessions of same protein
-    df = df.loc[df["accession"].isin(
-        [
-            "P14867", "P31644", "P34903", "P47869", "P48169", "Q16445", "O15399",
-            "O60391", "Q05586", "Q12879", "Q13224", "Q14957", "Q8TCU5", "Q14643",
-            "O00222", "O15303", "P41594", "Q13255", "Q14416", "Q14831", "Q14832",
-            "Q14833"
-        ]
-    )]
-    df.loc[df["accession"].
-           isin(["P14867", "P31644", "P34903", "P47869", "P48169", "Q16445"]),
-           "accession"] = "GABAAalpha"
-    df.loc[df["accession"].
-           isin(["O15399", "O60391", "Q05586", "Q12879", "Q13224", "Q14957", "Q8TCU5"]),
-           "accession"] = "NMDA"
-
-    # drop columns without pchembl value
-    df = df.dropna(subset=["pchembl_value_Mean"])
-
-    if singletask:
-        # print number of samples per target
-        print("Number of samples per target:")
-        print(df[target_col].value_counts())
-
-    # Get data in correct format and taking the mean if multiple values per smiles
-    df = df.pivot_table(
-        index=[smiles_col], columns=[target_col], values=activity_col, aggfunc=np.mean
-    ).reset_index()
-    df.to_csv("data/parkinsons_pivot.tsv", sep="\t", index=False)
-
-    if singletask:
-        return QSPRDataset(
-            name="tutorial_data",
-            df=df,
-            smiles_col=smiles_col,
-            target_props=[{
-                "name": "GABAAalpha",
-                "task": TargetTasks.REGRESSION
-            }],
-            store_dir="qspr/data"
-        )
-
-    else:
-        target_props = []
-        # for target in list of mGLU receptors
-        for target in [
-            "O00222", "O15303", "P41594", "Q13255", "Q14416", "Q14831", "Q14832",
-            "Q14833"
-        ]:
-            target_props.append({"name": target, "task": TargetTasks.REGRESSION})
-
-        return QSPRDataset(
-            name="tutorial_data",
-            df=df,
-            smiles_col=smiles_col,
-            target_props=target_props,
-            store_dir="qspr/data",
-            target_imputer=SimpleImputer(strategy="mean"),
-            overwrite=True
-        )
-
-
-def AR_PCM(data_dir="data"):
-    """
-    A classification dataset that contains activity data for a PCM approach to model
-    activity for a selection of adenosine receptors. The function recreates steps from
-    data_preparation_advanced.ipynb.
-
-    Returns:
-        a `QSPRDataset` instance with the loaded data
-    """
-
-    from qsprpred.extra.data.data import PCMDataSet
-
-    acc_keys = ["P29274", "P29275", "P30542", "P0DMS8"]
-    dataset_name = "AR_LIGANDS"  # name of the file to be generated
-    quality = "high"  # choose minimum quality from {"high", "medium", "low"}
-    papyrus_version = "05.6"  # Papyrus database version
-
-    papyrus = Papyrus(
-        data_dir=data_dir,
-        stereo=False,
-        version=papyrus_version,
-        plus_only=True,
-    )
-
-    mt = papyrus.getData(acc_keys, quality, name=dataset_name, use_existing=True)
-    ds_seq = papyrus.getProteinData(acc_keys, name=f"{mt.name}_seqs", use_existing=True)
-
-    def sequence_provider(acc_keys):
-        """
-        A function that provides a mapping from accession key to a protein sequence.
-
-        Args:
-            acc_keys (list): Accession keys of the protein to get a mapping for.
-
-        Returns:
-            (dict) : Mapping of accession keys to protein sequences.
-            (dict) : Additional information to pass to the MSA provider (can be empty).
-        """
-        map = {}
-        info = {}
-        for i, row in ds_seq.iterrows():
-            map[row["accession"]] = row["Sequence"]
-
-            # can be omitted
-            info[row["accession"]] = {
-                "Organism": row["Organism"],
-                "UniProtID": row["UniProtID"],
-            }
-
-        return map, info
-
-    return PCMDataSet.fromMolTable(
-        mt,
-        target_props=[
-            {
-                "name": "pchembl_value_Median",
-                "task": TargetTasks.SINGLECLASS,
-                "th": [6.5]
-            }
-        ],
-        protein_col="accession",
-        protein_seq_provider=sequence_provider,
-    )
diff --git a/tutorial/pcm.ipynb b/tutorial/pcm.ipynb
deleted file mode 100644
index 5815dc97..00000000
--- a/tutorial/pcm.ipynb
+++ /dev/null
@@ -1,2544 +0,0 @@
-{
- "cells": [
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "# PCM Modeling\n",
-    "\n",
-    "In this section of the tutorial, we will use the knowledge from all previous tutorials to construct a simple PCM classification model for a small list of adenosine receptors.\n",
-    "\n",
-    "## Data Preparation\n",
-    "\n",
-    "Most of the data preparation steps are already provided in  [data_preparation_advanced](./data_preparation_advanced.ipynb) so we will again use an already prepared dataset from the `datasets.py` module:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 1,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:56:25.319919368Z",
-     "start_time": "2023-06-09T06:56:09.644396350Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 3\n",
-      "Total size: 33.0MB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "ebffe6b96183410f9aa4fcc2337afbb1",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Reading data from data...\n",
-      "Read all data.\n",
-      "Initialized filters.\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "eded9b1c1fdc4280acee63343c2d70f4",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "0it [00:00, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Number of compounds:12457\n",
-      "Wrote data to file 'data/AR_LIGANDS.tsv'.\n",
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 3\n",
-      "Total size: 33.0MB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "6f7040833382459daa86bafa53af5486",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "accession\n",
-      "<function AR_PCM.<locals>.sequence_provider at 0x7f625057bf40>\n",
-      "12457\n",
-      "[TargetProperty(name=pchembl_value_Median_class, task=SINGLECLASS, th=[6.5])]\n"
-     ]
-    },
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Activity_ID</th>\n",
-       "      <th>Quality</th>\n",
-       "      <th>source</th>\n",
-       "      <th>CID</th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>connectivity</th>\n",
-       "      <th>InChIKey</th>\n",
-       "      <th>InChI</th>\n",
-       "      <th>InChI_AuxInfo</th>\n",
-       "      <th>target_id</th>\n",
-       "      <th>...</th>\n",
-       "      <th>relation</th>\n",
-       "      <th>pchembl_value</th>\n",
-       "      <th>pchembl_value_Mean</th>\n",
-       "      <th>pchembl_value_StdDev</th>\n",
-       "      <th>pchembl_value_SEM</th>\n",
-       "      <th>pchembl_value_N</th>\n",
-       "      <th>pchembl_value_Median</th>\n",
-       "      <th>pchembl_value_MAD</th>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th>pchembl_value_Median_class</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_0</th>\n",
-       "      <td>AACWUFIIMOHGSO_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.91968</td>\n",
-       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
-       "      <td>AACWUFIIMOHGSO</td>\n",
-       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>8.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_0</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1</th>\n",
-       "      <td>AACWUFIIMOHGSO_on_P30542_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.91968</td>\n",
-       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
-       "      <td>AACWUFIIMOHGSO</td>\n",
-       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
-       "      <td>P30542_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>6.68</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_1</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2</th>\n",
-       "      <td>AAEYTMMNWWKSKZ_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.131451</td>\n",
-       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
-       "      <td>AAEYTMMNWWKSKZ</td>\n",
-       "      <td>AAEYTMMNWWKSKZ-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>4.82</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_2</td>\n",
-       "      <td>False</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3</th>\n",
-       "      <td>AAGFKZWKWAMJNP_on_P0DMS8_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.100375</td>\n",
-       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
-       "      <td>AAGFKZWKWAMJNP</td>\n",
-       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
-       "      <td>P0DMS8_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_3</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_4</th>\n",
-       "      <td>AAGFKZWKWAMJNP_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.100375</td>\n",
-       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
-       "      <td>AAGFKZWKWAMJNP</td>\n",
-       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>5.65</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_4</td>\n",
-       "      <td>False</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12452</th>\n",
-       "      <td>ZZMIPZLRKFEGIA_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.202018</td>\n",
-       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
-       "      <td>ZZMIPZLRKFEGIA</td>\n",
-       "      <td>ZZMIPZLRKFEGIA-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11...</td>\n",
-       "      <td>\"AuxInfo=1/0/N:1,24,22,18,2,9,7,25,10,6,26,3,1...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>6.51</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12452</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12453</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P0DMS8_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P0DMS8_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.61</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12453</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12454</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P29274_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P29274_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.35</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12454</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12455</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P29275_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P29275_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>5.15</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12455</td>\n",
-       "      <td>False</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_12456</th>\n",
-       "      <td>ZZXIVHBZTITUIW_on_P30542_WT</td>\n",
-       "      <td>High</td>\n",
-       "      <td>ChEMBL31</td>\n",
-       "      <td>ChEMBL31.compound.248509</td>\n",
-       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
-       "      <td>ZZXIVHBZTITUIW</td>\n",
-       "      <td>ZZXIVHBZTITUIW-UHFFFAOYSA-N</td>\n",
-       "      <td>InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...</td>\n",
-       "      <td>\"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...</td>\n",
-       "      <td>P30542_WT</td>\n",
-       "      <td>...</td>\n",
-       "      <td>=</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>7.34</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>AR_LIGANDS_12456</td>\n",
-       "      <td>True</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>12457 rows × 34 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                                  Activity_ID Quality    source  \\\n",
-       "QSPRID                                                            \n",
-       "AR_LIGANDS_0      AACWUFIIMOHGSO_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_1      AACWUFIIMOHGSO_on_P30542_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_2      AAEYTMMNWWKSKZ_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_3      AAGFKZWKWAMJNP_on_P0DMS8_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_4      AAGFKZWKWAMJNP_on_P29274_WT    High  ChEMBL31   \n",
-       "...                                       ...     ...       ...   \n",
-       "AR_LIGANDS_12452  ZZMIPZLRKFEGIA_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12453  ZZXIVHBZTITUIW_on_P0DMS8_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12454  ZZXIVHBZTITUIW_on_P29274_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12455  ZZXIVHBZTITUIW_on_P29275_WT    High  ChEMBL31   \n",
-       "AR_LIGANDS_12456  ZZXIVHBZTITUIW_on_P30542_WT    High  ChEMBL31   \n",
-       "\n",
-       "                                       CID  \\\n",
-       "QSPRID                                       \n",
-       "AR_LIGANDS_0       ChEMBL31.compound.91968   \n",
-       "AR_LIGANDS_1       ChEMBL31.compound.91968   \n",
-       "AR_LIGANDS_2      ChEMBL31.compound.131451   \n",
-       "AR_LIGANDS_3      ChEMBL31.compound.100375   \n",
-       "AR_LIGANDS_4      ChEMBL31.compound.100375   \n",
-       "...                                    ...   \n",
-       "AR_LIGANDS_12452  ChEMBL31.compound.202018   \n",
-       "AR_LIGANDS_12453  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12454  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12455  ChEMBL31.compound.248509   \n",
-       "AR_LIGANDS_12456  ChEMBL31.compound.248509   \n",
-       "\n",
-       "                                                             SMILES  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
-       "AR_LIGANDS_1      Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
-       "AR_LIGANDS_2      Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
-       "AR_LIGANDS_3       O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
-       "AR_LIGANDS_4       O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
-       "AR_LIGANDS_12453           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12454           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12455           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "AR_LIGANDS_12456           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
-       "\n",
-       "                    connectivity                     InChIKey  \\\n",
-       "QSPRID                                                          \n",
-       "AR_LIGANDS_0      AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_1      AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_2      AAEYTMMNWWKSKZ  AAEYTMMNWWKSKZ-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_3      AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_4      AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
-       "...                          ...                          ...   \n",
-       "AR_LIGANDS_12452  ZZMIPZLRKFEGIA  ZZMIPZLRKFEGIA-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12453  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12454  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12455  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "AR_LIGANDS_12456  ZZXIVHBZTITUIW  ZZXIVHBZTITUIW-UHFFFAOYSA-N   \n",
-       "\n",
-       "                                                              InChI  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
-       "AR_LIGANDS_1      InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
-       "AR_LIGANDS_2      InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...   \n",
-       "AR_LIGANDS_3      InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
-       "AR_LIGANDS_4      InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452  InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11...   \n",
-       "AR_LIGANDS_12453  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12454  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12455  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "AR_LIGANDS_12456  InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(1...   \n",
-       "\n",
-       "                                                      InChI_AuxInfo  \\\n",
-       "QSPRID                                                                \n",
-       "AR_LIGANDS_0      \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
-       "AR_LIGANDS_1      \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
-       "AR_LIGANDS_2      \"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...   \n",
-       "AR_LIGANDS_3      \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
-       "AR_LIGANDS_4      \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
-       "...                                                             ...   \n",
-       "AR_LIGANDS_12452  \"AuxInfo=1/0/N:1,24,22,18,2,9,7,25,10,6,26,3,1...   \n",
-       "AR_LIGANDS_12453  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12454  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12455  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "AR_LIGANDS_12456  \"AuxInfo=1/1/N:1,13,14,2,20,19,21,11,7,12,6,18...   \n",
-       "\n",
-       "                  target_id  ... relation pchembl_value pchembl_value_Mean  \\\n",
-       "QSPRID                       ...                                             \n",
-       "AR_LIGANDS_0      P29274_WT  ...        =          8.68               8.68   \n",
-       "AR_LIGANDS_1      P30542_WT  ...        =          6.68               6.68   \n",
-       "AR_LIGANDS_2      P29274_WT  ...        =          4.82               4.82   \n",
-       "AR_LIGANDS_3      P0DMS8_WT  ...        =          7.15               7.15   \n",
-       "AR_LIGANDS_4      P29274_WT  ...        =          5.65               5.65   \n",
-       "...                     ...  ...      ...           ...                ...   \n",
-       "AR_LIGANDS_12452  P29274_WT  ...        =          6.51               6.51   \n",
-       "AR_LIGANDS_12453  P0DMS8_WT  ...        =          7.61               7.61   \n",
-       "AR_LIGANDS_12454  P29274_WT  ...        =          7.35               7.35   \n",
-       "AR_LIGANDS_12455  P29275_WT  ...        =          5.15               5.15   \n",
-       "AR_LIGANDS_12456  P30542_WT  ...        =          7.34               7.34   \n",
-       "\n",
-       "                 pchembl_value_StdDev pchembl_value_SEM  pchembl_value_N  \\\n",
-       "QSPRID                                                                     \n",
-       "AR_LIGANDS_0                      0.0               0.0              1.0   \n",
-       "AR_LIGANDS_1                      0.0               0.0              1.0   \n",
-       "AR_LIGANDS_2                      0.0               0.0              1.0   \n",
-       "AR_LIGANDS_3                      0.0               0.0              1.0   \n",
-       "AR_LIGANDS_4                      0.0               0.0              1.0   \n",
-       "...                               ...               ...              ...   \n",
-       "AR_LIGANDS_12452                  0.0               0.0              1.0   \n",
-       "AR_LIGANDS_12453                  0.0               0.0              1.0   \n",
-       "AR_LIGANDS_12454                  0.0               0.0              1.0   \n",
-       "AR_LIGANDS_12455                  0.0               0.0              1.0   \n",
-       "AR_LIGANDS_12456                  0.0               0.0              1.0   \n",
-       "\n",
-       "                 pchembl_value_Median pchembl_value_MAD            QSPRID  \\\n",
-       "QSPRID                                                                      \n",
-       "AR_LIGANDS_0                     8.68               0.0      AR_LIGANDS_0   \n",
-       "AR_LIGANDS_1                     6.68               0.0      AR_LIGANDS_1   \n",
-       "AR_LIGANDS_2                     4.82               0.0      AR_LIGANDS_2   \n",
-       "AR_LIGANDS_3                     7.15               0.0      AR_LIGANDS_3   \n",
-       "AR_LIGANDS_4                     5.65               0.0      AR_LIGANDS_4   \n",
-       "...                               ...               ...               ...   \n",
-       "AR_LIGANDS_12452                 6.51               0.0  AR_LIGANDS_12452   \n",
-       "AR_LIGANDS_12453                 7.61               0.0  AR_LIGANDS_12453   \n",
-       "AR_LIGANDS_12454                 7.35               0.0  AR_LIGANDS_12454   \n",
-       "AR_LIGANDS_12455                 5.15               0.0  AR_LIGANDS_12455   \n",
-       "AR_LIGANDS_12456                 7.34               0.0  AR_LIGANDS_12456   \n",
-       "\n",
-       "                 pchembl_value_Median_class  \n",
-       "QSPRID                                       \n",
-       "AR_LIGANDS_0                           True  \n",
-       "AR_LIGANDS_1                           True  \n",
-       "AR_LIGANDS_2                          False  \n",
-       "AR_LIGANDS_3                           True  \n",
-       "AR_LIGANDS_4                          False  \n",
-       "...                                     ...  \n",
-       "AR_LIGANDS_12452                       True  \n",
-       "AR_LIGANDS_12453                       True  \n",
-       "AR_LIGANDS_12454                       True  \n",
-       "AR_LIGANDS_12455                      False  \n",
-       "AR_LIGANDS_12456                       True  \n",
-       "\n",
-       "[12457 rows x 34 columns]"
-      ]
-     },
-     "execution_count": 1,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from datasets import AR_PCM\n",
-    "\n",
-    "ds = AR_PCM()\n",
-    "print(ds.proteinCol)\n",
-    "print(ds.proteinSeqProvider)\n",
-    "print(len(ds))\n",
-    "print(ds.targetProperties)\n",
-    "ds.getDF()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The only difference between PCM and regular models is the need for protein descriptors. Adding them is as simple as adding a `ProteinDescriptorCalculator` to the list of calculators in the call to `prepareDataset`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:57:11.465906408Z",
-     "start_time": "2023-06-09T06:56:25.324255269Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "d95cb99bcabb445492cfae014500c127",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "  0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Dataframe contains duplicate compounds and/or compounds with identical descriptors.\n",
-      "The following rows contain duplicates: [['AR_LIGANDS_4474', 'AR_LIGANDS_11399'], ['AR_LIGANDS_4475', 'AR_LIGANDS_11401'], ['AR_LIGANDS_7511', 'AR_LIGANDS_9485'], ['AR_LIGANDS_10942', 'AR_LIGANDS_12292'], ['AR_LIGANDS_10944', 'AR_LIGANDS_12294'], ['AR_LIGANDS_10943', 'AR_LIGANDS_12293']]\n",
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "==================================== Split ====================================\n",
-      "Clustering method: precomputed clusters\n",
-      "Original tasks: ['P29274_class', 'P30542_class', 'P0DMS8_class', 'P29275_class']\n",
-      "Tasks for balancing: ['P29274_class_False', 'P30542_class_False', 'P0DMS8_class_False', 'P29275_class_False']\n",
-      "Subset sizes: [0.8, 0.2]\n",
-      "Number of initial clusters: 64\n",
-      "-------------------------------- Split balance --------------------------------\n",
-      "P29274_class_False balance:\t 0: 0.80\t 1: 0.20\t\n",
-      "P30542_class_False balance:\t 0: 0.80\t 1: 0.20\t\n",
-      "P0DMS8_class_False balance:\t 0: 0.80\t 1: 0.20\t\n",
-      "P29275_class_False balance:\t 0: 0.80\t 1: 0.20\t\n",
-      "Overall balance:\t 0: 0.80\t 1: 0.20\t\n",
-      "Balance score: 0.0016\n",
-      "----------------------- Min. inter-set Tanimoto distance -----------------------\n",
-      "Subset 0: 0.36 +/- 0.15 | 0.33\n",
-      "Subset 1: 0.27 +/- 0.12 | 0.25\n",
-      "Chemical dissimilarity score: 0.25\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.datasplitters import RandomSplit\n",
-    "from qsprpred.extra.data.utils.datasplitters import PCMSplit\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "from qsprpred.extra.data.utils.descriptorcalculator import ProteinDescriptorCalculator\n",
-    "from qsprpred.data.utils.descriptorsets import FingerprintSet\n",
-    "from qsprpred.extra.data.utils.descriptorsets import ProDec\n",
-    "from qsprpred.extra.data.utils.descriptor_utils.msa_calculator import ClustalMSA\n",
-    "\n",
-    "calc_prot = ProteinDescriptorCalculator(\n",
-    "    desc_sets=[ProDec(sets=[\"Zscale Hellberg\"])],\n",
-    "    msa_provider=ClustalMSA(out_dir=ds.storeDir)\n",
-    ")\n",
-    "calc_mol = MoleculeDescriptorsCalculator(desc_sets = [FingerprintSet(fingerprint_type=\"MorganFP\", radius=3, nBits=2048)])\n",
-    "\n",
-    "ds.prepareDataset(\n",
-    "    split=PCMSplit(splitter=RandomSplit(test_fraction=0.2)), # 20% test set per target\n",
-    "    feature_calculators=[calc_prot, calc_mol]\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 3,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:57:11.563306079Z",
-     "start_time": "2023-06-09T06:57:11.469852407Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
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-       "      <th>AR_LIGANDS_4811</th>\n",
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-       "    <tr>\n",
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-       "    <tr>\n",
-       "      <th>AR_LIGANDS_698</th>\n",
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-       "    <tr>\n",
-       "      <th>AR_LIGANDS_1571</th>\n",
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-       "<p>9939 rows × 3326 columns</p>\n",
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-       "                  Descriptor_PCM_ProDec_Zscale_1  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_11455                            0.00   \n",
-       "AR_LIGANDS_4811                             0.00   \n",
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-       "AR_LIGANDS_3959                            -2.49   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                           -2.49   \n",
-       "AR_LIGANDS_8066                            -2.49   \n",
-       "AR_LIGANDS_8940                            -2.49   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_2  \\\n",
-       "QSPRID                                             \n",
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-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                           -0.27   \n",
-       "AR_LIGANDS_8066                            -0.27   \n",
-       "AR_LIGANDS_8940                            -0.27   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_3  \\\n",
-       "QSPRID                                             \n",
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-       "AR_LIGANDS_3959                            -0.41   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                           -0.41   \n",
-       "AR_LIGANDS_8066                            -0.41   \n",
-       "AR_LIGANDS_8940                            -0.41   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_4  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_11455                            0.00   \n",
-       "AR_LIGANDS_4811                             0.00   \n",
-       "AR_LIGANDS_7451                             0.00   \n",
-       "AR_LIGANDS_3959                            -1.22   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                           -1.22   \n",
-       "AR_LIGANDS_8066                            -1.22   \n",
-       "AR_LIGANDS_8940                            -1.22   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_5  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_11455                            0.00   \n",
-       "AR_LIGANDS_4811                             0.00   \n",
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-       "AR_LIGANDS_3959                             0.88   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                            0.88   \n",
-       "AR_LIGANDS_8066                             0.88   \n",
-       "AR_LIGANDS_8940                             0.88   \n",
-       "AR_LIGANDS_698                              0.00   \n",
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-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_6  \\\n",
-       "QSPRID                                             \n",
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-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                            2.23   \n",
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-       "AR_LIGANDS_8940                             2.23   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_7  \\\n",
-       "QSPRID                                             \n",
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-       "AR_LIGANDS_3959                             3.22   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                            3.22   \n",
-       "AR_LIGANDS_8066                             3.22   \n",
-       "AR_LIGANDS_8940                             3.22   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_8  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_11455                            0.00   \n",
-       "AR_LIGANDS_4811                             0.00   \n",
-       "AR_LIGANDS_7451                             0.00   \n",
-       "AR_LIGANDS_3959                             1.45   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                            1.45   \n",
-       "AR_LIGANDS_8066                             1.45   \n",
-       "AR_LIGANDS_8940                             1.45   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_9  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_11455                            0.00   \n",
-       "AR_LIGANDS_4811                             0.00   \n",
-       "AR_LIGANDS_7451                             0.00   \n",
-       "AR_LIGANDS_3959                             0.84   \n",
-       "AR_LIGANDS_4247                             0.00   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_10430                            0.84   \n",
-       "AR_LIGANDS_8066                             0.84   \n",
-       "AR_LIGANDS_8940                             0.84   \n",
-       "AR_LIGANDS_698                              0.00   \n",
-       "AR_LIGANDS_1571                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_10  ...  \\\n",
-       "QSPRID                                             ...   \n",
-       "AR_LIGANDS_11455                            -2.49  ...   \n",
-       "AR_LIGANDS_4811                             -2.49  ...   \n",
-       "AR_LIGANDS_7451                              0.00  ...   \n",
-       "AR_LIGANDS_3959                              3.22  ...   \n",
-       "AR_LIGANDS_4247                              0.00  ...   \n",
-       "...                                           ...  ...   \n",
-       "AR_LIGANDS_10430                             3.22  ...   \n",
-       "AR_LIGANDS_8066                              3.22  ...   \n",
-       "AR_LIGANDS_8940                              3.22  ...   \n",
-       "AR_LIGANDS_698                               0.00  ...   \n",
-       "AR_LIGANDS_1571                              0.00  ...   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2038  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       1.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       1.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2039  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2040  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2041  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2042  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2043  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2044  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       1.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2045  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       1.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2046  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_11455                                      0.0   \n",
-       "AR_LIGANDS_4811                                       0.0   \n",
-       "AR_LIGANDS_7451                                       0.0   \n",
-       "AR_LIGANDS_3959                                       0.0   \n",
-       "AR_LIGANDS_4247                                       0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_10430                                      0.0   \n",
-       "AR_LIGANDS_8066                                       0.0   \n",
-       "AR_LIGANDS_8940                                       0.0   \n",
-       "AR_LIGANDS_698                                        0.0   \n",
-       "AR_LIGANDS_1571                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2047  \n",
-       "QSPRID                                                     \n",
-       "AR_LIGANDS_11455                                      0.0  \n",
-       "AR_LIGANDS_4811                                       0.0  \n",
-       "AR_LIGANDS_7451                                       0.0  \n",
-       "AR_LIGANDS_3959                                       0.0  \n",
-       "AR_LIGANDS_4247                                       1.0  \n",
-       "...                                                   ...  \n",
-       "AR_LIGANDS_10430                                      0.0  \n",
-       "AR_LIGANDS_8066                                       0.0  \n",
-       "AR_LIGANDS_8940                                       0.0  \n",
-       "AR_LIGANDS_698                                        0.0  \n",
-       "AR_LIGANDS_1571                                       0.0  \n",
-       "\n",
-       "[9939 rows x 3326 columns]"
-      ]
-     },
-     "execution_count": 3,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getFeatures()[0] # training set feature matrix"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:57:11.716807332Z",
-     "start_time": "2023-06-09T06:57:11.641117855Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
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-       "    <tr>\n",
-       "      <th>AR_LIGANDS_11443</th>\n",
-       "      <td>-2.49</td>\n",
-       "      <td>-0.27</td>\n",
-       "      <td>-0.41</td>\n",
-       "      <td>-1.22</td>\n",
-       "      <td>0.88</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>1.45</td>\n",
-       "      <td>0.84</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_3634</th>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_2098</th>\n",
-       "      <td>-2.49</td>\n",
-       "      <td>-0.27</td>\n",
-       "      <td>-0.41</td>\n",
-       "      <td>-1.22</td>\n",
-       "      <td>0.88</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>1.45</td>\n",
-       "      <td>0.84</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>...</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_5140</th>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>...</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_9367</th>\n",
-       "      <td>-2.49</td>\n",
-       "      <td>-0.27</td>\n",
-       "      <td>-0.41</td>\n",
-       "      <td>-1.22</td>\n",
-       "      <td>0.88</td>\n",
-       "      <td>2.23</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>1.45</td>\n",
-       "      <td>0.84</td>\n",
-       "      <td>3.22</td>\n",
-       "      <td>...</td>\n",
-       "      <td>1.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>AR_LIGANDS_6483</th>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>0.00</td>\n",
-       "      <td>...</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "      <td>0.0</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>2518 rows × 3326 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "                  Descriptor_PCM_ProDec_Zscale_1  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                            -2.49   \n",
-       "AR_LIGANDS_4911                            -2.49   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                           -2.49   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                            -2.49   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                            -2.49   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_2  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                            -0.27   \n",
-       "AR_LIGANDS_4911                            -0.27   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                           -0.27   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                            -0.27   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                            -0.27   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_3  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                            -0.41   \n",
-       "AR_LIGANDS_4911                            -0.41   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                           -0.41   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                            -0.41   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                            -0.41   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_4  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                            -1.22   \n",
-       "AR_LIGANDS_4911                            -1.22   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                           -1.22   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                            -1.22   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                            -1.22   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_5  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                             0.88   \n",
-       "AR_LIGANDS_4911                             0.88   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                            0.88   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                             0.88   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                             0.88   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_6  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                             2.23   \n",
-       "AR_LIGANDS_4911                             2.23   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                            2.23   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                             2.23   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                             2.23   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_7  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                             3.22   \n",
-       "AR_LIGANDS_4911                             3.22   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                            3.22   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                             3.22   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                             3.22   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_8  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                             1.45   \n",
-       "AR_LIGANDS_4911                             1.45   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                            1.45   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                             1.45   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                             1.45   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_9  \\\n",
-       "QSPRID                                             \n",
-       "AR_LIGANDS_9716                             0.84   \n",
-       "AR_LIGANDS_4911                             0.84   \n",
-       "AR_LIGANDS_5188                             0.00   \n",
-       "AR_LIGANDS_11061                            0.00   \n",
-       "AR_LIGANDS_11443                            0.84   \n",
-       "...                                          ...   \n",
-       "AR_LIGANDS_3634                             0.00   \n",
-       "AR_LIGANDS_2098                             0.84   \n",
-       "AR_LIGANDS_5140                             0.00   \n",
-       "AR_LIGANDS_9367                             0.84   \n",
-       "AR_LIGANDS_6483                             0.00   \n",
-       "\n",
-       "                  Descriptor_PCM_ProDec_Zscale_10  ...  \\\n",
-       "QSPRID                                             ...   \n",
-       "AR_LIGANDS_9716                              3.22  ...   \n",
-       "AR_LIGANDS_4911                              3.22  ...   \n",
-       "AR_LIGANDS_5188                             -2.49  ...   \n",
-       "AR_LIGANDS_11061                             0.00  ...   \n",
-       "AR_LIGANDS_11443                             3.22  ...   \n",
-       "...                                           ...  ...   \n",
-       "AR_LIGANDS_3634                              0.00  ...   \n",
-       "AR_LIGANDS_2098                              3.22  ...   \n",
-       "AR_LIGANDS_5140                              0.00  ...   \n",
-       "AR_LIGANDS_9367                              3.22  ...   \n",
-       "AR_LIGANDS_6483                              0.00  ...   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2038  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      1.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       1.0   \n",
-       "AR_LIGANDS_5140                                       1.0   \n",
-       "AR_LIGANDS_9367                                       1.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2039  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2040  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2041  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2042  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2043  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2044  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2045  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2046  \\\n",
-       "QSPRID                                                      \n",
-       "AR_LIGANDS_9716                                       0.0   \n",
-       "AR_LIGANDS_4911                                       0.0   \n",
-       "AR_LIGANDS_5188                                       0.0   \n",
-       "AR_LIGANDS_11061                                      0.0   \n",
-       "AR_LIGANDS_11443                                      0.0   \n",
-       "...                                                   ...   \n",
-       "AR_LIGANDS_3634                                       0.0   \n",
-       "AR_LIGANDS_2098                                       0.0   \n",
-       "AR_LIGANDS_5140                                       0.0   \n",
-       "AR_LIGANDS_9367                                       0.0   \n",
-       "AR_LIGANDS_6483                                       0.0   \n",
-       "\n",
-       "                  Descriptor_FingerprintSet_MorganFP_2047  \n",
-       "QSPRID                                                     \n",
-       "AR_LIGANDS_9716                                       0.0  \n",
-       "AR_LIGANDS_4911                                       0.0  \n",
-       "AR_LIGANDS_5188                                       0.0  \n",
-       "AR_LIGANDS_11061                                      0.0  \n",
-       "AR_LIGANDS_11443                                      0.0  \n",
-       "...                                                   ...  \n",
-       "AR_LIGANDS_3634                                       0.0  \n",
-       "AR_LIGANDS_2098                                       0.0  \n",
-       "AR_LIGANDS_5140                                       0.0  \n",
-       "AR_LIGANDS_9367                                       0.0  \n",
-       "AR_LIGANDS_6483                                       0.0  \n",
-       "\n",
-       "[2518 rows x 3326 columns]"
-      ]
-     },
-     "execution_count": 4,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getFeatures()[1] # test set feature matrix"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 5,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:57:11.868904047Z",
-     "start_time": "2023-06-09T06:57:11.720659607Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "ds.save() # save for later"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Model Construction\n",
-    "\n",
-    "Now that we have defined our preprocessing steps, we can construct our model. We will use a simple random forest model in this case, but notice that the training code is allmost the same as in the simple [training tutorial](./tutorial_training.ipynb). The only difference is that we are using the `SklearnPCMModel` class instead of `SklearnModel`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 6,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:42.940028607Z",
-     "start_time": "2023-06-09T06:57:11.872531619Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "[I 2023-08-03 15:52:11,390] A new study created in memory with name: no-name-29b2e340-7970-4091-abd6-511c2dddd0bc\n",
-      "[I 2023-08-03 15:52:34,372] Trial 0 finished with value: 0.8911296456172572 and parameters: {'n_estimators': 60}. Best is trial 0 with value: 0.8911296456172572.\n",
-      "[I 2023-08-03 15:52:52,183] Trial 1 finished with value: 0.8914737604833622 and parameters: {'n_estimators': 56}. Best is trial 1 with value: 0.8914737604833622.\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "'qspr/models/PCM_RF/PCM_RF_meta.json'"
-      ]
-     },
-     "execution_count": 6,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from sklearn.ensemble import RandomForestClassifier\n",
-    "from qsprpred.extra.models.pcm import SklearnPCMModel\n",
-    "from qsprpred.models.hyperparam_optimization import OptunaOptimization\n",
-    "from qsprpred.models.assessment_methods import CrossValAssessor, TestSetAssessor\n",
-    "from qsprpred.models.metrics import SklearnMetric\n",
-    "\n",
-    "model = SklearnPCMModel(base_dir = 'qspr/models', data=ds, alg = RandomForestClassifier, name='PCM_RF', parameters={\"n_jobs\":1})\n",
-    "\n",
-    "search_space_bs = {\n",
-    "    'n_estimators' : [\"int\", 50, 100],\n",
-    "}\n",
-    "\n",
-    "score_func = SklearnMetric.getDefaultMetric(model.task)\n",
-    "bayesoptimizer = OptunaOptimization(scoring = score_func, param_grid=search_space_bs, n_trials=2)\n",
-    "best_params = bayesoptimizer.optimize(model)\n",
-    "\n",
-    "CrossValAssessor()(model)\n",
-    "TestSetAssessor()(model)\n",
-    "model.fitAttached()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The `SklearnPCMModel` class is a subclass of `SklearnModel` and thus inherits all of its functionality. The only difference is in how it handles predictions, which we will [show later](#model-prediction). Model evaluation and plotting is also the same as in the [training tutorial](./tutorial_training.ipynb):"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 7,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:43.955782087Z",
-     "start_time": "2023-06-09T06:59:42.942661145Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 7,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import ROCPlot\n",
-    "\n",
-    "plot = ROCPlot([model])\n",
-    "plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"cv\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 8,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:44.161371434Z",
-     "start_time": "2023-06-09T06:59:43.967719920Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 8,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"cv\")\n"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "## Model Prediction\n",
-    "\n",
-    "Prediction with the PCM model works similarly to regular models. We can load the saved model using its name (`RF_PCM`) as usual:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 9,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:46.498583938Z",
-     "start_time": "2023-06-09T06:59:44.162899134Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.extra_cpu.models.pcm.QSPRsklearnPCM at 0x7f6254c51360>"
-      ]
-     },
-     "execution_count": 9,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "model_from_files = SklearnPCMModel(name='PCM_RF', base_dir = 'qspr/models')\n",
-    "model_from_files"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "But naturally when doing the prediction, we need to provide the protein ID to fetch protein descriptors for as well. You can see that regular call to `predict` now does not work"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 10,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:46.503576892Z",
-     "start_time": "2023-06-09T06:59:46.501581715Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [],
-   "source": [
-    "sample_mols = [\n",
-    "    'CN1C=NC2=C1C(=O)N(C(=O)N2C)C', # caffeine\n",
-    "    'c1ccccc1CCN1N=CC2=C1N=C(N)N3C2=NC(C4=CC=CO4)=N3' # SCH-58261 (50x more selective to A2A than caffeine -> more potent)\n",
-    "]"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 11,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:46.507442735Z",
-     "start_time": "2023-06-09T06:59:46.504621510Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "ModelPCM.predictMols() missing 1 required positional argument: 'protein_id'\n"
-     ]
-    }
-   ],
-   "source": [
-    "try:\n",
-    "    model_from_files.predictMols(\n",
-    "        sample_mols\n",
-    "    )\n",
-    "except TypeError as e:\n",
-    "    print(e)"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "We need to use one of the protein IDs from the training data to fetch the appropriate protein descriptors:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 12,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:46.515512696Z",
-     "start_time": "2023-06-09T06:59:46.508853003Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "array(['P29274', 'P30542', 'P0DMS8', 'P29275'], dtype=object)"
-      ]
-     },
-     "execution_count": 12,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "ds.getSubset(ds.proteinCol)[ds.proteinCol].unique()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 13,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:48.253216360Z",
-     "start_time": "2023-06-09T06:59:46.517457874Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "098c5ed5cfae444aa3b244334b878893",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "  0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[array([[0.74, 0.26],\n",
-       "        [0.  , 1.  ]])]"
-      ]
-     },
-     "execution_count": 13,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "model_from_files.predictMols(\n",
-    "    sample_mols,\n",
-    "    protein_id = 'P29274', # human adenosine A2A receptor\n",
-    "    use_probas=True\n",
-    ")"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Now that makes sense. We can see that for the selective compound (`SCH-58261`), the model predicts it as active with confidence. If we use the same compounds with the other isoforms, we can see that indeed the result would be inactive for this compound hinting at its selectivity:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 14,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:50.237171125Z",
-     "start_time": "2023-06-09T06:59:48.256869770Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "a1d16738bed444f19698636c9575bd88",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "  0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[array([[0.76, 0.24],\n",
-       "        [0.96, 0.04]])]"
-      ]
-     },
-     "execution_count": 14,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "model_from_files.predictMols(\n",
-    "    sample_mols,\n",
-    "    protein_id = 'P30542', # human adenosine A1 receptor\n",
-    "    use_probas=True\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 15,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:52.055431098Z",
-     "start_time": "2023-06-09T06:59:50.239478602Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "44fdfa3d5e1a44c8b181cb6a2e9a2a23",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "  0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[array([[0.7 , 0.3 ],\n",
-       "        [0.95, 0.05]])]"
-      ]
-     },
-     "execution_count": 15,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "model_from_files.predictMols(\n",
-    "    sample_mols,\n",
-    "    protein_id = 'P0DMS8', # human adenosine A3 receptor\n",
-    "    use_probas=True\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 16,
-   "metadata": {
-    "ExecuteTime": {
-     "end_time": "2023-06-09T06:59:53.736803762Z",
-     "start_time": "2023-06-09T06:59:52.058281471Z"
-    },
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "02c2083872414a319c910d9580af0e8d",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "  0%|          | 0/4 [00:00<?, ?it/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[array([[0.82, 0.18],\n",
-       "        [0.68, 0.32]])]"
-      ]
-     },
-     "execution_count": 16,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "model_from_files.predictMols(\n",
-    "    sample_mols,\n",
-    "    protein_id = 'P29275', # human adenosine A2B receptor\n",
-    "    use_probas=True\n",
-    ")"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "Python 3",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.10"
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 0
-}
diff --git a/tutorial/run_all.sh b/tutorial/run_all.sh
deleted file mode 100755
index 7241083f..00000000
--- a/tutorial/run_all.sh
+++ /dev/null
@@ -1,12 +0,0 @@
-#!/bin/bash
-
-# Run all jupyter notebooks in the tutorial directory
-set -e
-
-# Run each notebook (order matters so let's do it manually)
-jupyter nbconvert --to notebook --execute data_preparation.ipynb
-jupyter nbconvert --to notebook --execute data_preparation_advanced.ipynb
-jupyter nbconvert --to notebook --execute tutorial_training.ipynb
-jupyter nbconvert --to notebook --execute tutorial_usage.ipynb
-jupyter nbconvert --to notebook --execute adding_new_components.ipynb
-jupyter nbconvert --to notebook --execute pcm.ipynb
\ No newline at end of file
diff --git a/tutorial/tutorial_training.ipynb b/tutorial/tutorial_training.ipynb
deleted file mode 100644
index 40d0964b..00000000
--- a/tutorial/tutorial_training.ipynb
+++ /dev/null
@@ -1,2176 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Environment exported to qspr/models/environment.yml successfully!\n"
-     ]
-    }
-   ],
-   "source": [
-    "# global settings\n",
-    "N_CPU = 12 # number of CPUs for parallel operations\n",
-    "\n",
-    "# logging settings\n",
-    "from qsprpred.logs.utils import enable_file_logger, export_conda_environment\n",
-    "logSettings = enable_file_logger(\n",
-    "    log_folder = 'qspr/models',\n",
-    "    filename = 'Modelling.log',\n",
-    "    debug = False,\n",
-    "    disable_existing_loggers = False\n",
-    ")\n",
-    "\n",
-    "# save the environment to a yaml file\n",
-    "export_conda_environment(\"qspr/models/environment.yml\")\n"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 23,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Already run this tutorial before? You can reload your data/models by running this cell and uncommenting the models/data you need.\n",
-    "from qsprpred.data.data import QSPRDataset\n",
-    "from qsprpred.models.interfaces import QSPRModel\n",
-    "\n",
-    "# For the regression part of the tutorial\n",
-    "#dataset = QSPRDataset.fromFile('./qspr/data/tutorial_data_df.pkl')\n",
-    "# model = QSPRModel.fromFile('./qspr/models/PLS_REG/PLS_REG_meta.json')\n",
-    "\n",
-    "# For the classification part of the tutorial\n",
-    "# dataset = QSPRDataset.fromFile('./qspr/data/A2A_LIGANDS_df.pkl')\n",
-    "# fitted_models = [QSPRModel.fromFile('./qspr/models/ExtraTreesClassifier/ExtraTreesClassifier_meta.json'),\n",
-    "#                  QSPRModel.fromFile('./qspr/models/RandomForestClassifier/RandomForestClassifier_meta.json')]"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Data Sets\n",
-    "\n",
-    "QSPRPred package defines the `QSPRDataset` class, which is used to manage data and supply it to the models of interest (see [data_preparation](./data_preparation.ipynb) and [data_preparation_advanced](./data_preparation_advanced.ipynb)). We already assume you are familiar with these data structures, and we will use example data sets that are loaded automatically via the `datasets.py` module defined in the current folder. Feel free to examine this code to see how the data is loaded and preprocessed."
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Building Models - Regression\n",
-    "\n",
-    "Here, we will show how to train a simple single task regression model with QSPRPred.\n",
-    "\n",
-    "### Preparing the Data\n",
-    "\n",
-    "We will load the `Parkinsons` data set from `datasets.py`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 24,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Number of samples per target:\n",
-      "accession\n",
-      "GABAAalpha    6280\n",
-      "NMDA          4073\n",
-      "P41594        2730\n",
-      "Q14416        1342\n",
-      "Q13255         975\n",
-      "Q14833         856\n",
-      "Q14832         172\n",
-      "O00222         153\n",
-      "O15303         104\n",
-      "Q14831          89\n",
-      "Q14643          12\n",
-      "Name: count, dtype: int64\n"
-     ]
-    },
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th>accession</th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>O00222</th>\n",
-       "      <th>O15303</th>\n",
-       "      <th>P41594</th>\n",
-       "      <th>Q13255</th>\n",
-       "      <th>Q14416</th>\n",
-       "      <th>Q14643</th>\n",
-       "      <th>Q14831</th>\n",
-       "      <th>Q14832</th>\n",
-       "      <th>Q14833</th>\n",
-       "      <th>QSPRID</th>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "      <th></th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_1</th>\n",
-       "      <td>Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21</td>\n",
-       "      <td>8.400000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_1</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_2</th>\n",
-       "      <td>Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21</td>\n",
-       "      <td>8.110000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_2</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_3</th>\n",
-       "      <td>Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1</td>\n",
-       "      <td>8.013333</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_3</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_4</th>\n",
-       "      <td>Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1</td>\n",
-       "      <td>7.505000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_4</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_5</th>\n",
-       "      <td>Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1</td>\n",
-       "      <td>6.860000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_5</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8206</th>\n",
-       "      <td>c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1</td>\n",
-       "      <td>7.750000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8206</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8207</th>\n",
-       "      <td>c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1</td>\n",
-       "      <td>8.440000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8207</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8208</th>\n",
-       "      <td>c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1</td>\n",
-       "      <td>7.700000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8208</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8209</th>\n",
-       "      <td>c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1</td>\n",
-       "      <td>6.000000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8209</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8217</th>\n",
-       "      <td>c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1</td>\n",
-       "      <td>6.960000</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8217</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>2050 rows × 13 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "accession                                                  SMILES  GABAAalpha  \\\n",
-       "QSPRID                                                                          \n",
-       "tutorial_data_1         Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn-21    8.400000   \n",
-       "tutorial_data_2                Brc1ccc2c(c1)-c1nncn1Cc1c(I)ncn-21    8.110000   \n",
-       "tutorial_data_3                  Brc1cccc(-c2cc(-c3ccccc3)nnc2)c1    8.013333   \n",
-       "tutorial_data_4                 Brc1cccc(-c2cnnc(NCc3ccccc3)c2)c1    7.505000   \n",
-       "tutorial_data_5                 Brc1cccc(-c2cnnc(OCc3ccccc3)c2)c1    6.860000   \n",
-       "...                                                           ...         ...   \n",
-       "tutorial_data_8206     c1cnc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)cc1    7.750000   \n",
-       "tutorial_data_8207         c1cnc(COc2nn3c(C4CC4)nnc3c3c2cccc3)cc1    8.440000   \n",
-       "tutorial_data_8208        c1cnc(COc2nn3c(C4CCC4)nnc3c3c2cccc3)cc1    7.700000   \n",
-       "tutorial_data_8209  c1cnc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)cc1    6.000000   \n",
-       "tutorial_data_8217     c1cnc2c(c1)ncn2-c1cc2c(cc1)[nH]cc2CC1CCCN1    6.960000   \n",
-       "\n",
-       "accession           NMDA  O00222  O15303  P41594  Q13255  Q14416  Q14643  \\\n",
-       "QSPRID                                                                     \n",
-       "tutorial_data_1      NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_2      NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_3      NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_4      NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_5      NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "...                  ...     ...     ...     ...     ...     ...     ...   \n",
-       "tutorial_data_8206   NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8207   NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8208   NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8209   NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8217   NaN     NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "\n",
-       "accession           Q14831  Q14832  Q14833              QSPRID  \n",
-       "QSPRID                                                          \n",
-       "tutorial_data_1        NaN     NaN     NaN     tutorial_data_1  \n",
-       "tutorial_data_2        NaN     NaN     NaN     tutorial_data_2  \n",
-       "tutorial_data_3        NaN     NaN     NaN     tutorial_data_3  \n",
-       "tutorial_data_4        NaN     NaN     NaN     tutorial_data_4  \n",
-       "tutorial_data_5        NaN     NaN     NaN     tutorial_data_5  \n",
-       "...                    ...     ...     ...                 ...  \n",
-       "tutorial_data_8206     NaN     NaN     NaN  tutorial_data_8206  \n",
-       "tutorial_data_8207     NaN     NaN     NaN  tutorial_data_8207  \n",
-       "tutorial_data_8208     NaN     NaN     NaN  tutorial_data_8208  \n",
-       "tutorial_data_8209     NaN     NaN     NaN  tutorial_data_8209  \n",
-       "tutorial_data_8217     NaN     NaN     NaN  tutorial_data_8217  \n",
-       "\n",
-       "[2050 rows x 13 columns]"
-      ]
-     },
-     "execution_count": 24,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from datasets import Parkinsons\n",
-    "\n",
-    "dataset = Parkinsons()\n",
-    "dataset.getDF()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "We will build a regression model for the GABA(A) receptor subunit alpha (GABAAalpha).\n",
-    "Therefore, we initialize our QSPRdataset as regression for \"GABAAalpha\".\n",
-    "After this we need to do some processing of the data.\n",
-    "We need to calculate compound features, split our dataset into a train and test set."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 25,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Number of samples train set: 1640\n",
-      "Number of samples test set: 410\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.descriptorsets import FingerprintSet\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "from sklearn.preprocessing import StandardScaler as Scaler\n",
-    "from qsprpred.data.utils.datasplitters import RandomSplit\n",
-    "\n",
-    "# Calculate MorganFP and physicochemical properties\n",
-    "feature_calculator = MoleculeDescriptorsCalculator(desc_sets = [FingerprintSet(fingerprint_type=\"MorganFP\", radius=3, nBits=2048)])\n",
-    "\n",
-    "# Do a random split for creating the train (85%) and test set (15%)\n",
-    "rand_split = RandomSplit(test_fraction=0.2)\n",
-    "\n",
-    "# calculate compound features and split dataset into train and test\n",
-    "dataset.prepareDataset(\n",
-    "    split=rand_split,\n",
-    "    feature_calculators=[feature_calculator],\n",
-    "    feature_standardizer=Scaler()\n",
-    ")\n",
-    "\n",
-    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
-    "print(f\"Number of samples test set: {len(dataset.y_ind)}\")"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The `prepareDataset` function is shorthand method that can be used to perform multiple steps at once, but these steps can also be performed individually. For example, we can calculate the features and split the dataset separately by several calls to various methods of the `QSPRDataset` class. The following code should be equivalent to the previous one:\n",
-    "\n",
-    "```python\n",
-    "\n",
-    "# Calculate MorganFP and physicochemical properties\n",
-    "feature_calculator = MoleculeDescriptorsCalculator(desc_sets = [FingerprintSet(fingerprint_type=\"MorganFP\", radius=3, nBits=2048)])\n",
-    "dataset.addDescriptors(feature_calculator, featurize=False)\n",
-    "dataset.fillMissingValues()\n",
-    "dataset.splitDataset(rand_split)\n",
-    "dataset.setFeatureStandardizer(Scaler())\n",
-    "self.featurizeSplits()\n",
-    "```"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 26,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Let's save the dataset for later\n",
-    "dataset.save()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "### Training the Model\n",
-    "\n",
-    "After preparing our dataset, we will train a QSPR regression model.\n",
-    "In this tutorial we will train a XGBoost model as it generally performs well, but there are other model types\n",
-    "available. Most machine learning models have tunable hyperparameters (for example depth & learning rate), as some hyperparameter combinations will lead to better performance on a task we perform hyperparameter optimization (in which different combinations are tested and evaluated on a subset of the training data). After finding good hyperparameters a model will be trained on the training data & evaluated on the test data. In addition to this the final model will be trained on all data"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 27,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "At the moment n_jobs>1 not available for bayes optimization, n_jobs set to 1.\n",
-      "[I 2023-07-19 12:40:30,748] A new study created in memory with name: no-name-e991384d-f10d-4372-a87d-ac1a335955e2\n"
-     ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "[I 2023-07-19 12:40:35,111] Trial 0 finished with value: 0.47027192213445257 and parameters: {'n_components': 18, 'scale': False}. Best is trial 0 with value: 0.47027192213445257.\n",
-      "[I 2023-07-19 12:40:39,292] Trial 1 finished with value: 0.48836522344088573 and parameters: {'n_components': 16, 'scale': True}. Best is trial 1 with value: 0.48836522344088573.\n",
-      "[I 2023-07-19 12:40:41,992] Trial 2 finished with value: 0.5760704546869 and parameters: {'n_components': 9, 'scale': False}. Best is trial 2 with value: 0.5760704546869.\n",
-      "[I 2023-07-19 12:40:43,148] Trial 3 finished with value: 0.4383399421668528 and parameters: {'n_components': 1, 'scale': True}. Best is trial 2 with value: 0.5760704546869.\n",
-      "[I 2023-07-19 12:40:44,291] Trial 4 finished with value: 0.5779832549170605 and parameters: {'n_components': 2, 'scale': False}. Best is trial 4 with value: 0.5779832549170605.\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "'./qspr/models/PLS_REG/PLS_REG_meta.json'"
-      ]
-     },
-     "execution_count": 27,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.sklearn import SklearnModel\n",
-    "from sklearn.cross_decomposition import PLSRegression\n",
-    "from qsprpred.models.hyperparam_optimization import OptunaOptimization\n",
-    "from qsprpred.models.assessment_methods import CrossValAssessor, TestSetAssessor\n",
-    "from qsprpred.models.metrics import SklearnMetric\n",
-    "\n",
-    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
-    "model = SklearnModel(base_dir = 'qspr/models/', data=dataset, alg = PLSRegression, name='PLS_REG')\n",
-    "\n",
-    "# We will first optimize the hyperparameters (n_components and scale) through bayes optimization\n",
-    "# the best hyperparameter combination will be saved in PLS_REG_GABAAalpha_params.json\n",
-    "score_func = SklearnMetric.getDefaultMetric(model.task)\n",
-    "search_space_bs = {\"n_components\": [\"int\", 1, 30], \"scale\": [\"categorical\", [True, False]]}\n",
-    "bayesoptimizer = OptunaOptimization(scoring = score_func, param_grid=search_space_bs,\n",
-    "                                    n_trials=5, n_jobs=4)\n",
-    "best_params = bayesoptimizer.optimize(model)\n",
-    "\n",
-    "#Then we will evaluate the performance of the best model using the independent test set\n",
-    "CrossValAssessor()(model)\n",
-    "TestSetAssessor()(model)\n",
-    "\n",
-    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
-    "# model is saved under qsprmodels/PLS_REG_GABAAalpha.pkg\n",
-    "model.fitAttached()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Evaluating the results"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 28,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "'qspr/models/PLS_REG/PLS_REG_meta.json'"
-      ]
-     },
-     "execution_count": 28,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "# we need to sve the model first\n",
-    "model.save()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Plotting the results of our model on the test set we can see that it is performing reasonably well."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 29,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "<Axes: title={'center': 'PLS_REG (PLSRegression)'}, xlabel='Experimental GABAAalpha', ylabel='Predicted GABAAalpha'>"
-      ]
-     },
-     "execution_count": 29,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 500x500 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.regression import CorrelationPlot\n",
-    "\n",
-    "plt = CorrelationPlot([model])\n",
-    "axes, summary = plt.make(save=False, property_name='GABAAalpha')\n",
-    "axes[0]"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "As you can see, the plot also generates a summary with the displayed metrics:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 30,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>ModelName</th>\n",
-       "      <th>R2</th>\n",
-       "      <th>RMSE</th>\n",
-       "      <th>Set</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>PLS_REG</td>\n",
-       "      <td>0.577970</td>\n",
-       "      <td>0.884683</td>\n",
-       "      <td>cv</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>PLS_REG</td>\n",
-       "      <td>0.605061</td>\n",
-       "      <td>0.860299</td>\n",
-       "      <td>ind</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "  ModelName        R2      RMSE  Set\n",
-       "0   PLS_REG  0.577970  0.884683   cv\n",
-       "1   PLS_REG  0.605061  0.860299  ind"
-      ]
-     },
-     "execution_count": 30,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "summary"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Building Models - Classification\n",
-    "\n",
-    "In this part of the tutorial, we show how to train a simple single task classification model with QSPRPred.\n",
-    "\n",
-    "### Preparing the Data\n",
-    "\n",
-    "We will repeat the same steps as with the regression model, but this time with classification data loaded from `datasets.py`:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 31,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "########## DISCLAIMER ##########\n",
-      "You are downloading the high-quality Papyrus++ dataset.\n",
-      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
-      "look into additional switches of this command.\n",
-      "################################\n",
-      "Number of files to be downloaded: 9\n",
-      "Total size: 7.43GB\n"
-     ]
-    },
-    {
-     "data": {
-      "application/vnd.jupyter.widget-view+json": {
-       "model_id": "1a2175a011ac442b8b5ea201e4fad997",
-       "version_major": 2,
-       "version_minor": 0
-      },
-      "text/plain": [
-       "Downloading version 05.6:   0%|          | 0.00/7.43G [00:00<?, ?B/s]"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Using existing data from data/A2A_LIGANDS.tsv...\n",
-      "Number of samples loaded: 4296\n"
-     ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Number of samples train set: 3427\n",
-      "Number of samples test set: 869, 20.228119180633147%\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.datasplitters import ScaffoldSplit\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "from qsprpred.data.utils.descriptorsets import FingerprintSet\n",
-    "from qsprpred.data.utils.featurefilters import LowVarianceFilter, HighCorrelationFilter\n",
-    "from qsprpred.data.utils.scaffolds import Murcko\n",
-    "from datasets import A2AR\n",
-    "\n",
-    "# intialize the dataset\n",
-    "dataset = A2AR()\n",
-    "\n",
-    "# Calculate MorganFP and physicochemical properties\n",
-    "feature_calculator = MoleculeDescriptorsCalculator(desc_sets = [FingerprintSet(fingerprint_type=\"MorganFP\", radius=3, nBits=2048)])\n",
-    "\n",
-    "# Split on scaffolds\n",
-    "split = ScaffoldSplit(dataset=dataset, scaffold=Murcko(), test_fraction=0.2)\n",
-    "\n",
-    "# Remove features that have a low variance (<0.05) in the trainingset\n",
-    "lv = LowVarianceFilter(0.05)\n",
-    "\n",
-    "# Remove features that have a high correlation (>0.9) in the trainingset\n",
-    "hc = HighCorrelationFilter(0.8)\n",
-    "\n",
-    "dataset.prepareDataset(\n",
-    "    split=split,\n",
-    "    feature_calculators=[feature_calculator],\n",
-    "    feature_filters=[lv, hc],\n",
-    ")\n",
-    "\n",
-    "# save the data set if you do not want to recalculate descriptors\n",
-    "dataset.save()\n",
-    "\n",
-    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
-    "print(f\"Number of samples test set: {len(dataset.y_ind)}, {len(dataset.y_ind) / len(dataset.df) * 100}%\")"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Let's save the dataset again so that we do not have to recalculate anything later:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 32,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "dataset.save()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "As you can see, the training part basically works the same way as with regression, but to mix things up we build two models at once here:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 33,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/home/sohvi/.conda/envs/qsprpred/lib/python3.10/site-packages/qsprpred/models/models.py:104: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
-      "  self.estimator.fit(**fit_set)\n",
-      "/home/sohvi/.conda/envs/qsprpred/lib/python3.10/site-packages/qsprpred/models/models.py:104: DataConversionWarning: A column-vector y was passed when a 1d array was expected. Please change the shape of y to (n_samples,), for example using ravel().\n",
-      "  self.estimator.fit(**fit_set)\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<qsprpred.models.models.QSPRsklearn at 0x7fbd8dcda0e0>,\n",
-       " <qsprpred.models.models.QSPRsklearn at 0x7fbd9320e980>]"
-      ]
-     },
-     "execution_count": 33,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from sklearn.ensemble import ExtraTreesClassifier, RandomForestClassifier\n",
-    "from qsprpred.models.sklearn import SklearnModel\n",
-    "from qsprpred.models.hyperparam_optimization import GridSearchOptimization\n",
-    "from qsprpred.models.assessment_methods import CrossValAssessor, TestSetAssessor\n",
-    "from qsprpred.models.metrics import SklearnMetric\n",
-    "\n",
-    "params = {\n",
-    "    'n_estimators' : [50, 200],\n",
-    "    'criterion' : ['gini', 'entropy', 'log_loss'],\n",
-    "    \"n_jobs\": [1]\n",
-    "}\n",
-    "\n",
-    "\n",
-    "fitted_models = []\n",
-    "for model in [ExtraTreesClassifier, RandomForestClassifier]:\n",
-    "    model = SklearnModel(\n",
-    "        base_dir='qspr/models/',\n",
-    "        data=dataset, \n",
-    "        alg = model,\n",
-    "        name=model.__name__\n",
-    "    )\n",
-    "\n",
-    "    score_func = SklearnMetric.getDefaultMetric(model.task)\n",
-    "    gridsearcher = GridSearchOptimization(scoring = score_func, param_grid=params)\n",
-    "    best_params = gridsearcher.optimize(model)\n",
-    "\n",
-    "    CrossValAssessor()(model)\n",
-    "    TestSetAssessor()(model)\n",
-    "    model.fitAttached()\n",
-    "    \n",
-    "    fitted_models.append(model)\n",
-    "\n",
-    "fitted_models"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 34,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>, <Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 34,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import ROCPlot\n",
-    "\n",
-    "plot = ROCPlot(fitted_models)\n",
-    "plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"cv\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 35,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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VFhaG5s2bAwAOHTqUYa09e/ZEcnIytm3bptu3d+9eREREoGfPngAAIQS2bt2K9u3bQwih9xgBAQGIjIzEuXPn9M4bGBgIa2vrLJ+r6OhoAIC9vX2Gx6TeFhUVpbe/U6dO8Pb21m3XqVMHdevWxa5duwAY9jynGjJkSJrOpK//HMnJyXjx4gXKlCkDR0fHND+3oQYNGqTXupPaoe3u3bsAgDNnzuDFixcYMmSIXgfDvn376rWIZST1Ocvs+U3P0KFD9bYbNWqEFy9e6P0fvP68REZGIiwsDE2aNMHdu3cRGRmpd38/Pz9da9jrsnOOffv2ITo6GuPHj0/TSTr1byAzhv59NGnSBP7+/lme19HRESdPnsSTJ0+yPDYrz58/xz///IP33nsvzSfirH7GFy9eAECGvw++vr7Yt29fmq83Wx2nTZuGihUrIjAwEMOGDUOTJk3wySefGPRzdO3aFW5ubnr7zM3Ndb/jWq0W4eHhSElJQa1atYz6+3nzb3Tfvn2IiIhA79699f5/zc3NUbduXd3/ryGvB46Ojrh69Spu376dbg3G/l29LruvK1nVYm1tDaVSicOHD+Ply5dG15ORCxcu4Pbt2+jTpw9evHihe95iY2PRokUL/PPPP9BqtXr3efP143VOTk5GDYPnJZL/LF68GOXKlUNkZCRWrlyJf/75B1ZWVrrb79y5AyEEJk+ejMmTJ6d7jmfPnsHb2xtBQUHo2rVrpo93+/ZtXL9+Pc0f9uvnykjVqlVRvnx5bNy4EYMHDwYgXR5xdXXVvQA/f/4cERER+Omnn/DTTz9l6zH8/PwyrTlV6h9odHQ0HB0d0z0moxBStmzZNMeWK1cOmzZtAmDY85xZ3fHx8Zg9ezZWrVqFx48f6zX5vflGaqg330xS3yRSXyhS5zQoU6aM3nEWFhYZNt2/zsHBAcCr59AUdaWe8+jRo5g6dSqOHz+OuLg4veMjIyP1Rilk9PuQnXMEBQUBACpVqmTQz5DK0L+P7P7ufvPNNwgMDISPjw9q1qyJd999FwMGDECpUqUMrjE1UBr7MwLIcDi3ra2t3qXFjCiVSqxcuRK1a9eGSqXCqlWrshXgXpfRc7dmzRrMmzcPN27cQHJycpbHG/IYqW+8qa9Xb0r9fTXk9WDGjBno2LEjypUrh0qVKqFNmzbo378/qlSpondOQ/+uXpfd15WsarGyssKcOXPw6aefwsPDA2+//TbatWuHAQMGwNPT0+j6UqU+v29eRn9dZGSkXsDN7P9VCGHw7xXAgKFTp04d1KpVC4D0Kbthw4bo06cPbt68CTs7O13aGzt2bLqf6oC0byiZ0Wq1qFy5su7a6Zt8fHwyvX/Pnj3x1VdfISwsDPb29tixYwd69+6t+8ScWm+/fv0y/CVL/WVPlZ3WC0Dqo/Dbb7/h0qVLaNy4cbrHXLp0CQCy9anydcY8z+nVPWLECKxatQqjRo1CvXr1oFaroVAo0KtXrzTJ3VAZDb3N6M3CUKlzHVy+fNmga91Z1RUUFIQWLVqgfPnymD9/Pnx8fKBUKrFr1y4sWLAgzfOS3vNq6DmMZejfR3Z/d3v06IFGjRph+/bt2Lt3L+bOnYs5c+Zg27ZteOedd3Jcd3a5uLgAgEk+ve7ZswcAkJCQgNu3bxscANJ77n7++WcMHDgQnTp1wrhx4+Du7g5zc3PMnj1bFx5z8hipvyfr1q1L9w31zdex7LweNG7cGEFBQfj999+xd+9eLF++HAsWLMDSpUvx/vvvo0yZMrCwsMDly5cNrj9Vdl9XsqoFkOaYaN++PX777Tfs2bMHkydPxuzZs3Hw4EFUr17d6BqBV8/b3LlzM3wNebNvUWZ/Qy9fvoSrq6vBdTBgpCP1D6lZs2ZYtGgRxo8fr/uEY2lpmeUni9KlS+PKlStZHnPx4kW0aNHCqGTYs2dPTJ8+HVu3boWHhweioqLQq1cv3e1ubm6wt7eHRqPJ1ichQ7Rr1w6zZ8/G2rVr0w0YGo0G69evh5OTExo0aKB3W3pNhrdu3dJ9sjfkec7Mli1bEBgYiHnz5un2JSQkICIiQu84Y577rKROmnTnzh00a9ZMtz8lJQX3799PE+ze9M4778Dc3Bw///yzwR09M/PHH38gMTERO3bs0GvtyOxynLHnSJ374MqVK5kG74ye/5z+fWSmWLFiGDZsGIYNG4Znz56hRo0a+Oqrr3QBI7uPl/q7mtXfenpSQ+S9e/cMvu/rLl26hBkzZmDQoEG4cOEC3n//fVy+fFmvJcqY52/Lli0oVaoUtm3bpnf/qVOn5qjeVKm/H+7u7pn+nRv6euDs7IxBgwZh0KBBiImJQePGjTFt2jS8//77sLGxQfPmzXHw4EE8fPgwyw9x6cnu60pWtaQqXbo0Pv30U3z66ae4ffs2qlWrhnnz5uHnn382uLbXpT6/Dg4OJnn9v3fvHqpWrWrw/dgHIwNNmzZFnTp1sHDhQiQkJMDd3R1NmzbFjz/+iKdPn6Y5/vnz57rvu3btiosXL2L79u1pjkv9NNmjRw88fvwYy5YtS3NMfHy8rqd1RipUqIDKlStj48aN2LhxI4oVK6b3Zm9ubo6uXbti69at6b4Avl6voerXr6+b9W7nzp1pbv/iiy9w69YtfPbZZ2lS8W+//abXh+LUqVM4efKk7sXdkOc5M+bm5mlaFH744Yc0s/TZ2toCQLovEMaqVasWXFxcsGzZMqSkpOj2//LLL9n6xOrj44MhQ4Zg7969+OGHH9LcrtVqMW/ePDx69MigulJbON5s1l21apXJz9G6dWvY29tj9uzZSEhI0Lvt9fva2tqme8kqp38f6dFoNGkey93dHV5eXkhMTMyypje5ubmhcePGWLlyJYKDg/Vuy6o1y9vbGz4+PjmakTU5ORkDBw6El5cXvvvuO6xevRqhoaFpevob8zue3v/zyZMncfz4caPrfV1AQAAcHBwwa9YsvcsvqVL/zg15PUjt15LKzs4OZcqU0fu/nTp1KoQQ6N+/P2JiYtKc7+zZs1izZk2GdWf3dSWrWuLi4tL8XZQuXRr29vZ69RqrZs2aKF26NL799tt0f05DXv8jIyMRFBSE+vXrG1wHWzAyMW7cOHTv3h2rV6/G0KFDsXjxYjRs2BCVK1fGkCFDUKpUKYSGhuL48eN49OgRLl68qLvfli1b0L17d7z33nuoWbMmwsPDsWPHDixduhRVq1ZF//79sWnTJgwdOhSHDh1CgwYNoNFocOPGDWzatAl79uzRXbLJSM+ePTFlyhSoVCoMHjw4zWyfX3/9NQ4dOoS6detiyJAh8Pf3R3h4OM6dO4f9+/cjPDzc6Odm7dq1aNGiBTp27Ig+ffqgUaNGSExMxLZt23D48GH07NkT48aNS3O/MmXKoGHDhvjoo4+QmJiIhQsXwsXFBZ999pnumOw+z5lp164d1q1bB7VaDX9/fxw/fhz79+/XNU2nqlatGszNzTFnzhxERkbCysoKzZs3h7u7u9HPjVKpxLRp0zBixAg0b94cPXr0wP3797F69WqULl06W58o582bh6CgIHzyySfYtm0b2rVrBycnJwQHB2Pz5s24ceOGXotVdrRu3RpKpRLt27fHhx9+iJiYGCxbtgzu7u7pvnjn5BwODg5YsGAB3n//fdSuXRt9+vSBk5MTLl68iLi4ON2LeM2aNbFx40aMGTMGtWvXhp2dHdq3b2+Sv483RUdHo3jx4ujWrRuqVq0KOzs77N+/H6dPn9b7RJpRTen5/vvv0bBhQ9SoUQMffPAB/Pz8cP/+ffz555+4cOFCpvV07NgR27dvT/f6dmRkZIafYvv16wcAmDlzJi5cuIADBw7A3t4eVapUwZQpUzBp0iR069YN7777ru7nAYBPPvkEAQEBMDc3z/J3p127dti2bRs6d+6Mtm3b4t69e1i6dCn8/f3TfcMylIODA5YsWYL+/fujRo0a6NWrF9zc3BAcHIw///wTDRo0wKJFiwBk//XA398fTZs2Rc2aNeHs7IwzZ87ohiSnql+/PhYvXoxhw4ahfPnyejN5Hj58GDt27MDMmTMzfV6y87qSVS23bt1CixYt0KNHD/j7+8PCwgLbt29HaGiowX/X6TEzM8Py5cvxzjvvoGLFihg0aBC8vb3x+PFjHDp0CA4ODrrpBrKyf/9+CCHQsWNHwwsxeNxJIZPRRFtCSDMCli5dWpQuXVo3xCooKEgMGDBAeHp6CktLS+Ht7S3atWsntmzZonffFy9eiI8//lg3iUrx4sVFYGCg3pDRpKQkMWfOHFGxYkVhZWUlnJycRM2aNcX06dNFZGSk7rg3h6mmun37tm742puTp6QKDQ0Vw4cPFz4+PsLS0lJ4enqKFi1aiJ9++kl3TOoQp82bNxv03EVHR4tp06aJihUrCmtra2Fvby8aNGggVq9enWaY3uuT+sybN0/4+PgIKysr0ahRI3Hx4sU0587O85zZ/93Lly/FoEGDhKurq7CzsxMBAQHixo0b6T6Xy5YtE6VKlRLm5ubZmmjrzecpowmYvv/+e1GyZElhZWUl6tSpI44ePSpq1qwp2rRpk41nVxoquHz5ctGoUSOhVquFpaWlKFmypBg0aJDeENaMZvJMfX5en7hnx44dokqVKkKlUglfX18xZ84csXLlyjTHpU60lZ7sniP12Pr16wtra2vh4OAg6tSpI3799Vfd7TExMaJPnz7C0dExzURb2f37QDrD9l6/LXWYYWJiohg3bpyoWrWqsLe3F7a2tqJq1appJgnLqKaM/p+vXLkiOnfuLBwdHYVKpRJvvfWWmDx5crr1vO7cuXMCQJqhuJkNU019yT579qywsLAQI0aM0LtvSkqKqF27tvDy8tINI09JSREjRowQbm5uQqFQpDvR1pu0Wq2YNWuW7ve3evXqYufOnSIwMDDDWU4zG6aa3t+oENLfVEBAgFCr1UKlUonSpUuLgQMHijNnzugdl53Xg5kzZ4o6deoIR0dHYW1tLcqXLy+++uorkZSUlOZxz549K/r06SO8vLyEpaWlcHJyEi1atBBr1qzRm8H49d8fIbL/upJVLWFhYWL48OGifPnywtbWVqjValG3bl2xadMmvTqNHaaa6vz586JLly7CxcVFWFlZiZIlS4oePXqIAwcO6I7Jaibgnj17ioYNG6Z7W1YU/xVMlKvu378PPz8/zJ07V28O/aJEq9XCzc0NXbp0Sbfpn4qeFi1awMvLK8NJsIjkFBISAj8/P2zYsMGoFgz2wSDKBQkJCWmu1a5duxbh4eEFYgl4yhuzZs3Cxo0buVw75UsLFy5E5cqVjbs8AvbBIMoVJ06cwOjRo9G9e3e4uLjg3LlzWLFiBSpVqoTu3bvLXR7lE3Xr1kVSUpLcZRCl6+uvv87R/RkwiHKBr68vfHx88P333yM8PBzOzs4YMGAAvv76a5MvqUxElB+xDwYRERGZHPtgEBERkckxYBAREZHJFbk+GFqtFk+ePIG9vX2uTBNNRERUWAkhEB0dDS8vrzSTO76pyAWMJ0+eGDUHPREREUkePnyI4sWLZ3pMkQsYqcuHP3z4ULd8LxEREWUtKioKPj4+uvfSzBS5gJF6WcTBwYEBg4iIyAjZ6WLATp5ERERkcgwYREREZHIMGERERGRyDBhERERkcgwYREREZHIMGERERGRyDBhERERkcgwYREREZHIMGERERGRyDBhERERkcgwYREREZHIMGERERGRyDBhERERkcgwYREREZHKyBox//vkH7du3h5eXFxQKBX777bcs73P48GHUqFEDVlZWKFOmDFavXp3rdRIREZFhZA0YsbGxqFq1KhYvXpyt4+/du4e2bduiWbNmuHDhAkaNGoX3338fe/bsyeVKiYiIyBAWcj74O++8g3feeSfbxy9duhR+fn6YN28eAKBChQo4cuQIFixYgICAgNwqk4iIigAhBKISUhAem4Tw2ESExyZDo9XKXZZxtFpYREchRe2IeqVdoba2zPMSZA0Yhjp+/Dhatmypty8gIACjRo3K8D6JiYlITEzUbUdFReVWeUREJKP4JA1O3Q/HheAIpGQSDIQA4pI0eBGbiPDYJITFpAaKJCRrRB5WnDsUQouv9ixG7UfX0Lv3LKyd0IEBIyshISHw8PDQ2+fh4YGoqCjEx8fD2to6zX1mz56N6dOn51WJRESURzRagcuPI3H0ThiO3A7D2QcvkaTJeYuDrdIcznZKONsoYWlesMZCKLRafLh+DlpelLoObNk+HfiivSy1FKiAYYwJEyZgzJgxuu2oqCj4+PjIWBERUcEghEBUfEq237STNVrcD4vF7WcxuBUajduhMXj4Mg5akTutArGJGsQkpujt81Kr8HZpFzioMv/ErrI0h4utEs62SrjYKeFiawVnOyVcbJVQWZrnSr25TqsFhgwBju2Uts3N4TtvJuCplqWcAhUwPD09ERoaqrcvNDQUDg4O6bZeAICVlRWsrKzyojwionwhRaPF08gEPHwZh6SUrMNBskYgNCoBTyPj8TQyAU8jEhDy33ZCcv7ug2CvskD90i5oWMYVDcu6wdfFBgqFQu6y8p5GA7z/PpA6stLcHPj1V6B7d9lKKlABo169eti1a5fevn379qFevXoyVURElH1xSSn4++Zz3A2LNel5tVqBp1EJeBgeh+DwODx+GY8Ubd73JTBTAD7ONijrbo+yHnYo52EHP1c7WJrnzhu+0twMfq62sChglzFyxRdf6IeLDRuAbt1kLUnWgBETE4M7d+7otu/du4cLFy7A2dkZJUqUwIQJE/D48WOsXbsWADB06FAsWrQIn332Gd577z0cPHgQmzZtwp9//inXj0BElKm4pBQcuvEcf15+gkM3niM+WZMnj6u0MENxR2vYWGXd3G+uUMDNXgUvRxU81SoUU6tQTG2NYmoVPBxUBfeSQVEydKjUYvHkiRQuunaVuyJ5A8aZM2fQrFkz3XZqX4nAwECsXr0aT58+RXBwsO52Pz8//Pnnnxg9ejS+++47FC9eHMuXL+cQVSLKc9EJybgVGoPbodHSv8+i8ehlfJr+BqFRCXqXGXycrVHH1wUWZqb9VO/uYIUSzjbSl4sNPOxVMDPxY1A+5usLHD4MXL0KtGsndzUAAIUQudT7Jp+KioqCWq1GZGQkHBwc5C6HiAqYmMQUrPj3Hhbsv5Xt+/g4W6NtZS+0rVwMlbwdimYfATKtlBSpU6dSmacPa8h7aIHqg0FEZIiwmEQcuvEM0QkpWR+cBa0QOHUvHIdvPdfrONmorCvKutujnIcdSrrYQmmhHx7sVZYo627HUEGmk5ICDBgAxMQAmzcD+XQgAwMGERV4sYkpuPPf0Mg7z2LwPCYRTyLicepeOHKjr2MxtQrOtkpMaeePuqVcTP8ARBlJSQH695f6WQBAv35SyMiHGDCIqEDRagUEpDkXlv4dhC1nH+HRy/gMj69SXA1fF1uTPHZJFxu8W7kYynvas0WC8l5KCtC3L7Bpk7StVAKBgfLWlAkGDCIqEDRageX/3sUPB++kmVwJAFztlLpLFcUcrWGrNEfTt9zh42wjQ7VEJpacLIWL1NYKpRLYtg1o21beujLBgEFE+YpGK3AzJBrXnkYh+b8ZJIUANp99iPPBEXrHutop8UXbCmhSzh3Otnnb2Y0ozyQnA336AFu2SNtKJbB9O/Duu/LWlQUGDCLKM8+iE7Dp9EM8jUxIc5sAcD8sFhcfRiA2Kf25IuytLDC5nT9aV5TWJLKzsuAkS1S4JScDvXpJrRWA1KHzt9+ANm1kLSs7GDCIKNddfxqFFUfuYceFJ9la18JWaY7KxdWwf209CXd7K3zcvAyKqdNfFoCo0ElKksLF9u3StpUV8PvvQAGZ+4kBg4hMZtOZh5j02xWpOeI1r4eKGiUc0aisG9LrI+lur0KNko4o624Pc04SRUVdUhLw7Jn0vUolhYvWreWtyQAMGERksIfhcTge9AIPwmMRHB6P4PA4PAyPQ3hsUrrHmymAdyoXw+CGfqhRwimPqyUqoOzsgL/+Ajp3Bj7/HGjVSu6KDMKAQUSZEkLg6pMo7L8eisj4ZJx98BKXHkVmeLy9ygILelRDRe9Xs/zZWllkuXw2EaXD3h7Ytw/pNvnlcwwYRJShv289x+TfriA4PE5vv5kCqOXrjLc87FHC2QY+/62B4eNsrddvgogMkJgIjB8PTJwIuLm92l8AwwXAgEFEGYhLSsGYjRfwIjYJKkszNC/vjhLOtijhbIPWFT3gapc/pycmKpASEqQVUHftAg4cAA4eBFxd5a4qRxgwiAgAkJSixfG7LxCfJE1idTzoBV7EJqGkiw12fdIItlZ8uSDKFQkJQJcuUn8LAAgKAm7dYsAgooJPoxUY9ss57L8emua2j5uVYbggyi0JCVInzt27pW0bG6kVo359eesyAb5qEBUhSSla3H8Ri9uh/y0M9jwGcYkpuPw4CmExibrjapWURnqU9bBDp+recpVLVLjFxwOdOgF790rbtrZSuGjcWNayTIUBg6iI+Hj9Oey+EoKUDJYXVVtbok1FT4xr8xb7VxDltvh4oGNHaYQIIIWLv/4CGjWSty4TYsAgKgJ+v/AYOy89BQAozc3g7+WAch52KOtuD7WNJTwdVHi7lAuUFpx2myjXxcVJ4WL/fmk7db6Lhg3lrcvEGDCICrGXsUmY9sdV/H7hCQDA18UGh8Y25VLjRHJasuRVuLC3l/pfFII+F29iwCAqpE7fD8dHP59DWEwizBTAB41LY1TLsgwXRHIbNQq4eFFatGzPHqBePbkryhUKIUT6F2QLqaioKKjVakRGRsLBwSHrOxAVQEkpWjT79jAeR8TD3soCawfXQXVO0U2Uf2g0wJ07wFtvyV2JQQx5D2ULBlEBlKLR4vazGETFJ6e5LTYpBXP33MLjiHgAwPye1RguiOQUGws8fgyUK/dqn7l5gQsXhmLAICoArj+N+m/iq0ScexCBi48iEJekyfQ+TjaWmNGxElr5e+RRlUSURkwM0LYtcP06cOgQULGi3BXlGQYMonzufPBLdF96PM3wUnsrC7g7pD+ctJqPEya8W57DTYnkFBMDvPsu8O+/0nbXrsDVq1LrRRHAgEGUT90Ojcb0P67h4qMIpGgFKnurUcnbAVWKO6JGCSeUcbeDuRk7bBLlS9HRUrg4ckTadnQEfv65yIQLgAGDKF+KTkjGB+vO4l5YLACglJstfhlSl0ueExUE0dHAO+8AR49K205O0rDUGjXkrSuPMWAQ5UNLDgfhXlgsiqlV+KZbFdT2dYbKsuh88iEqsKKipHBx7Ji07ewshYvq1eWtSwYMGET5zLPoBKw/FQwACKzvi0Zl3WSuiIiyJTISaNMGOHFC2nZ2lpZer1ZN1rLkwnmBifKRZ9EJ6P3TCUTEJcNLrUKXGlxojKhASErSDxcuLsDBg0U2XAAMGET5hhAC760+jaDnsfBSq/DrB2/D3V4ld1lElB1KpbTsOgC4ukrhompVeWuSGS+REOUTUfEpuPI4CgCwfsjbKOliK3NFRGSQzz4DVCqgWTOgcmW5q5EdAwZRPlTcyVruEogoK0IAb67t88kn8tSSD/ESCRERkaFevpSWV9+1S+5K8i0GDCIiIkOEhwMtW0pDUTt3llZEpTR4iYQon0jRauUugYiy8uKFFC4uXJC2nZyAEiVkLSm/YgsGUT7xz+3nAIASzjawMOefJlG+82a48PQEDh8GKlSQs6p8i69iRPnElrOPAABdaxSXuRIiSiMsDGjRQj9cHDoElC8va1n5GS+REOUD98JicSzoBQBwci2i/Ob5cylcXL4sbRcrJoWLt96St658jgGDSAb3wmLx4EWsbnvB/tsQAmhczg0+zjYyVkZEet4MF15eUrgoV07eugoABgyiPJSQrMG3e25ixdF7EEL/NrW1JWZ1riRPYUSUvosXgRs3pO+9vaVwUbasvDUVEAwYRHnkRkgUhv18Dnf/W4K9vKc9LMylSXpslBYY06ocijux9YIoX2nZEtiyBRg1Cti7FyhTRu6KCgwGDKI8cO1JFPouP4GXccnwcLDC7C6V0by8h9xlEVF2dOgABAQAVlZyV1KgcBQJUS57PVxU9XHEnlGNGS6I8quQEGDVqrT7GS4MxhYMolz2yYbzunCx9r06UFtbyl0SEaXn6VOgeXOpz0VkpHRZhIzGFgyiXBYcHgcAWNizGsMFUX719Km0Cmpqh86FC4HoaFlLKujYgkGUS7RagZdxSdBqpeEiSgvmeaJ86ckTKVzcuiVtlywpzdBpby9rWQUdAwZRLrj8KBJ9lp1AdGIKAEBlaQYHFf/ciPKdx4+lcHH7trTt6yuFi5Il5ayqUOBHKqJcsOLIXV24eMvDHhs/qAd7FS+PEOUrjx4BTZu+Chd+fgwXJsSPVEQmFpWQjN1XQwAAqwfVRpNyblAoFDJXRUR6Hj6UWi6CgqTtUqWkSbS4MqrJMGAQmUhSihY//h2Eefuk67hl3O0YLojyIyGAHj1ehYvSpaVw4eMjb12FDAMGkQlceRyJsZsv4kbIq17nveuUYLggyo8UCmDpUmmNEScnKVwU5yrGpsaAQZQDKRotvj9wG4sPB0GjFXCxVeLT1m/B19UGdf1c5C6PiDJStSpw8CDg4iKtMUImx4BBlAMz/7yO1cfuAwDaVi6GGR0rwsWOM/4R5TuhoYCbG2D22tiGKlXkq6cI4CgSIiMIIfDziQe6cDGve1Us7luD4YIoP7p/H6hbFxgyBNBq5a6myGALBpGBQqMSMHHbZRy48QwA8GHjUuhak9dvifKle/ekoajBwcDKlVJHzmnT5K6qSGDAIDJAskaL9j8cwbPoRCjNzTCyZVkMbVJa7rKIKD1370rh4uFDabt8eWDoUFlLKkoYMIgMEJ2QgmfRiQCAP0Y0xFuenEqYKF8KCpLmuUgNFxUqSKNFPLiScV5hHwwiI5XzsJO7BCJKz507+i0X/v4MFzJgwCAywIMXsQAAa0tzmSshonTdvi2Fi0ePpO2KFRkuZMKAQWSALWelF602lTw5iRZRfpMaLh4/lrYrVZLmunB3l7WsoooBgyibHr2Mwx8XnwAAunHUCFH+4+AAODpK31euzHAhM3byJMrCmfvhmPnndVx4GAEA8FKrUK8UZ+kkync8PKRQ8cknwKJF0sRaJBsGDKIsLP07CBceRkChAOr4OmPiuxVgZsbLI0T5kocHsHGj3FUQeImEKEsRcckAgFmdK2Pjh/VQ1cdR3oKISHL9urQqakyM3JVQOtiCQZSJbece4cyDl1AogGoMFkT5x7Vr0jwXz55JX3/+Cdjayl0VvYYtGEQZuPMsGl9svwIAGNmiLCoUc5C5IiICAFy9+ipcAEB0NJCUJG9NlAYDBlE67ofF4qOfzyE+WYP6pV0wonlZuUsiIgC4ckU/XNSsCezfDzg5yVsXpcFLJESv0WoF1hy/jzm7byAhWQs3eyss7FUN5uzUSSS/y5eBFi2A58+l7Vq1gH37Xg1NpXyFAYPoPw/D4/Dppos4dT8cAFCvlAu+6VYF7vYqmSsjIly6JIWLsDBpu3ZtYO9ehot8jAGDCEBSihaDVp/GnWcxsFGaY8K7FdC3TgkORyXKDy5elMLFixfSdt26wJ49gFotb12UKQYMIgCrjt7DnWcxcLFV4rfhDeDjbCN3SUSUau7cV+Hi7beB3bsZLgoABgwq8p5GxuO7A7cBABPercBwQZTfLF8uBYzISClcOHBEV0HAgEFF3ld/XkdckgY1SzqhS3VvucshojepVMD27dJQVIaLAoPDVKlI233lKXZeegozBTCjY0X2uSDKD86dA4KD9fepVAwXBYzsAWPx4sXw9fWFSqVC3bp1cerUqUyPX7hwId566y1YW1vDx8cHo0ePRkJCQh5VS4XJ08h4jNtyCQAwpHEpVPTiNV0i2Z05I3XobNYMePhQ7mooB2QNGBs3bsSYMWMwdepUnDt3DlWrVkVAQACepU6g8ob169dj/PjxmDp1Kq5fv44VK1Zg48aNmDhxYh5XToXB3zefIzohBeU97TG29Vtyl0NEp08DLVsCERHA3bvApElyV0Q5IGvAmD9/PoYMGYJBgwbB398fS5cuhY2NDVauXJnu8ceOHUODBg3Qp08f+Pr6onXr1ujdu3eWrR5E6dEIAQAo6WIDS3PZG/OIirZTp6RwERkpbTduDCxeLG9NlCOyvaomJSXh7NmzaNmy5atizMzQsmVLHD9+PN371K9fH2fPntUFirt372LXrl149913M3ycxMREREVF6X0REVE+cvIk0KoVkPr63LQpsGsXYGcna1mUM7KNIgkLC4NGo4GHh4fefg8PD9y4cSPd+/Tp0wdhYWFo2LAhhBBISUnB0KFDM71EMnv2bEyfPt2ktRMRkYkcPw4EBEgLlgFS34s//uDKqIVAgWoXPnz4MGbNmoX//e9/OHfuHLZt24Y///wTX375ZYb3mTBhAiIjI3VfD9lpiP5z8WEEAMDOylLeQoiKqmPH9MNF8+bAzp0MF4WEbC0Yrq6uMDc3R2hoqN7+0NBQeHp6pnufyZMno3///nj//fcBAJUrV0ZsbCw++OADfPHFFzAzS5uXrKysYGVlZfofgAq04Bdx2HbuMQCgT10fmashKoLu3pXCRUyMtN2yJfD774ANJ7orLGRrwVAqlahZsyYOHDig26fVanHgwAHUq1cv3fvExcWlCRHm5uYAAPFfhz2irJx98BIDV51CilagUVlX1CzpLHdJREWPnx8weLD0fatWwI4dDBeFjNEtGMHBwXjw4AHi4uLg5uaGihUrGtxSMGbMGAQGBqJWrVqoU6cOFi5ciNjYWAwaNAgAMGDAAHh7e2P27NkAgPbt22P+/PmoXr066tatizt37mDy5Mlo3769LmgQZSQhWYP5+25h+b93oRWAu70VJrfzl7ssoqJJoQAWLAAqVAAGDACsreWuiEzMoIBx//59LFmyBBs2bMCjR4/0Wg2USiUaNWqEDz74AF27dk33csWbevbsiefPn2PKlCkICQlBtWrVsHv3bl3Hz+DgYL3zTJo0CQqFApMmTcLjx4/h5uaG9u3b46uvvjLkx6Ai6OyDlxi35SLuPo8FAHSp4Y2p7SpCbcP+F0R5JiFBmpEzlUIBfPihfPVQrlKIbF5b+OSTT7BmzRoEBASgffv2qFOnDry8vGBtbY3w8HBcuXIF//77LzZs2ABzc3OsWrUKtWvXzu36DRYVFQW1Wo3IyEg4cNrZQi+9VotZnSujpb9H1ncmItP5+2+gd29pTZG6deWuhoxkyHtotlswbG1tcffuXbi4uKS5zd3dHc2bN0fz5s0xdepU7N69Gw8fPsyXAYOKljm7b2DV0fsA2GpBJJvDh4G2bYG4OKB1a2n0SMWKcldFuSzbASO1H0R2tGnTxqhiiEwtJFJap2ZE8zL4lNOBE+W9gweBdu2A+Hhpu1EjoEwZeWuiPFGg5sEgyi4hBJJStAiPTQIgXRohojx24IB+uGjXDti6FeDUAUWCSefBuH79Otq2bYu7d++a8rREBtFoBbouOYYL/02kBQDuDqqM70BEprd/P9C+vdSxE5C+37yZ4aIIMWnASEpKwoMHD0x5SiKDvYhN1IULB5UFJr5bAa3ZqZMo7+zbB3To8CpcdOwIbNoEKJXy1kV5yqCAMWbMmExvf/78eY6KITK1s5NbcaVUory0d68ULhITpe1OnYCNGxkuiiCDAsZ3332HatWqZTg0JSZ1ylciGWm00shrMwUYLojy2uPHr8JF587Ahg0MF0WUQQGjTJkyGD16NPr165fu7RcuXEDNmjVNUhiRMeKTNBi3+RIAoJiaMwMS5blBgwCNBtizB1i/HrDksPCiyqCPd7Vq1cLZs2czvF2hUHBNEJLFy9gk7Lj4BIPXnMaRO2GwVZpjYa9qcpdFVDS9/77U54LhokgzqAVj3rx5SExt+kpH1apVodVqc1wUkaHGbbmE/dellXltleZY/V4d1PblImZEuW7nTiAqCujTR3+/QiFPPZRvGBQwMlpGnUhOMYkp+OeW1MG4opcDZnaqhOolnGSuiqgI+OMPoGtX6ZKIQiFNBU70H/aAowLvyO3nSNJo4etig50jGjJcEOWFHTukcJGcDGi1wJ9/yl0R5TMMGFTg7b/+DADQvLwHFGyWJcp9v/8OdOsmhQtAarlYvVrWkij/YcCgAk2jFTh0QwoYLSu4y1wNURGwfbt+uOjbF1i7FrAw6byNVAgwYFCBduFhBF7EJsFeZYHafuzUSZSrtm0DevQAUlKk7X79gDVrGC4oXQwYVKAd+G/kSJNybpxUiyg3bd0K9Oz5Klz07y9dFjE3l7Usyr+MfkX+559/cObMGb19Z86cwT///JPjooiy66Du8gjXGiHKNRERwODBr8JFYCCwahXDBWXK6IDRtGlTDBgwQG9f//790axZsxwXRZQdD17E4kZINMwUUgsGEeUSR0epY6eNjTRT54oVDBeUJaMvnN27dw+Wb8zSduDAASSndvwhymXbzj0GADQo4wonW651QJSrmjQBTp0CKlQAzHg5krJmdMAoWbJkmn1eXl45KoYou+KTNPjlZDAAoFvN4jJXQ1QIXboEVK6sPyNnxYry1UMFDmMoFShxSSmYtuMqKkzZjbCYRNhbWaC1P2eYJTKp9euB6tWByZMBri9FRsp2C4aTk1O2JzEKDw83uiCijAghMGTtGRy980K3772GfrBW8lowkcn88gswYIA0O+dXXwF16gAdOshdFRVA2Q4YCxcuzMUyiLJ2POiFLly85WGPud2roEpxR3mLIipM1q0DBg6UwgUADB0KtGsna0lUcGU7YAQGBuZmHURZWnjgNgAgsF5JTO9YSeZqiAqZtWulcJF6SWTYMGDRIq6KSkYzug9GUFAQJk2ahN69e+PZM2kugr/++gtXr141WXFErzt9X7r0FljfV95CiAqbNWv0w8Xw4QwXlGNGBYy///4blStXxsmTJ7Ft2zbExMQAAC5evIipU6eatEAiIQQ2ng7WvfbZqywzvwMRZd+qVdLcFql/YCNGAD/8wHBBOWZUwBg/fjxmzpyJffv2Qal8Nf9A8+bNceLECZMVRxSdkIyBq07j862XAQBvl3KGC+e8IDKN9eulGTpTw8XIkcB33zFckEkYFTAuX76Mzp07p9nv7u6OsLCwHBdFlGrZP3fx963nUFqYYeK75fHL+2/DzIwvfkQmUbcu4O0tfT9qFLBgAcMFmYxRE205Ojri6dOn8PPz09t//vx5eKf+shLlkFYrsPW/2TrndquCjtX4u0VkUqVLA4cOARs2AF98wXBBJmVUC0avXr3w+eefIyQkBAqFAlqtFkePHsXYsWPTrE9CZKy/bz/H44h42KssEFCRk2kRmcSbE2eVKQNMmsRwQSZnVAvGrFmzMHz4cPj4+ECj0cDf3x8ajQZ9+vTBpEmTTF0jFREarcCqo/fwJCIB54Jf4sLDCABAh6peUFlyMi2iHFuyBDhwAPj1V8CSnaUpdymEMH4e2ODgYFy5cgUxMTGoXr06ypYta8rackVUVBTUajUiIyPh4OAgdzn0mg2ngjF+22XdtkIB1C/tggU9q8HdXiVjZUSFwP/+Jw0/BYAuXYBNm7giKhnMkPdQoxc7A4ASJUrAx8cHALI9jThRepJStFh06A4AoJSbLQY18EOAvwfcHRgsiHJs0SJp+Gmqt97iiqiU64z+DVuxYgUqVaoElUoFlUqFSpUqYfny5aasjYqQPy4+waOX8XCzt8KuTxqh/9slGS6ITOGHH/TDxcSJ0hoj/FBIucyoFowpU6Zg/vz5GDFiBOrVqwcAOH78OEaPHo3g4GDMmDHDpEVS4bfr8lMAQP+3S7K/BZGpfPedNPw01aRJwIwZDBeUJ4wKGEuWLMGyZcvQu3dv3b4OHTqgSpUqGDFiBAMGGSQ+SYMjd6T5U1r5e8hcDVEhsWABMGbMq+3Jk4Hp0xkuKM8YdYkkOTkZtWrVSrO/Zs2aSElJyXFRVLQcCwpDYooW3o7WKO9pL3c5RAXf/Pn64WLqVLZcUJ4zKmD0798fS5YsSbP/p59+Qt++fXNcFBUtB25Ii+U1L+/OzsJEOZWcLI0QSTVtmvRFlMeyfYlkzGtpWKFQYPny5di7dy/efvttAMDJkycRHBzMibbIIEfvhGH9yWAAQIViHDZMlGOWlsCePUDr1kDbtsCUKXJXREVUtgPG+fPn9bZr1qwJQFq2HQBcXV3h6urK5dopW1I0WszYeQ1rjz8AABR3skbjcq4yV0VUSKjVwN9/AyqOxCL5ZDtgHDp0KDfroCIkRaPF6E0X8cfFJwCkkSPj3ykPW6scTctCVHStXAl07Ai4uLzax3BBMuNMK5SnXg8XluYKLO1XE192qsRwQWSsWbOkJddbtQLCw+WuhkjH6Ff1M2fOYNOmTQgODkZSUpLebdu2bctxYVQ4rT3+AH9cfAIzBbC4Tw205iJmRMb76itpbgsAOH8e+P13YNAgeWsi+o9RLRgbNmxA/fr1cf36dWzfvh3Jycm4evUqDh48CLVabeoaqZDYezUEM3ZeAwB0qVGc4YIoJ7788lW4AIA5cxguKF8xKmDMmjULCxYswB9//AGlUonvvvsON27cQI8ePVCiRAlT10iFwPQ/ruKDdWcBAGXc7TC8WRmZKyIqwKZP1x8dMncu8Nln8tVDlA6jAkZQUBDatm0LAFAqlYiNjYVCocDo0aPx008/mbRAKvgi45Kx6uh9AED3msWxc0RD+LnaylsUUUH15rwW334LjB0rVzVEGTIqYDg5OSE6OhoA4O3tjStXrgAAIiIiEBcXZ7rqqMCLjEtG/5UnAQDu9laY2bkS1xohMoYQ0oyc06e/2jd/PvDpp/LVRJQJozp5Nm7cGPv27UPlypXRvXt3jBw5EgcPHsS+ffvQokULU9dIBdDjiHisOnIPR+6E4UZINJxtlVg7uA6sLBguiIyydas03XeqhQuBkSNlK4coKwohhDD0TuHh4UhISICXlxe0Wi2++eYbHDt2DGXLlsWkSZPg5OSUG7WaRFRUFNRqNSIjI+HgwJkjc8tXf17Dsn/vAQCcbZVYP6Quynvy+SYyWkoK0L8/sGED8P33+kuwE+URQ95DjWrBcHZ21n1vZmaG8ePHG3MaKsTikzUAAKW5GX4f3gA+zjYyV0RUwFlYAOvWAYGBQJs2cldDlKVsB4yoqKhsn5QtA5RqWLPSDBdExhACeP4ccHd/tc/CguGCCoxsBwxHR8csV7oUQkChUECj0eS4MCKiIksIYPx4YO1a4NAhoHx5uSsiMhjXIiEiyk+EkOa0+PZbabtFC+DGDcDeXt66iAyU7YDRpEmT3KyDCrj4JA16/XQc98JiAQAJyVqZKyIqgISQ5rSYP//VvqlTGS6oQOIKU2QS10OicPFRZJr9HDlClE1CSHNaLFjwat9PPwFDhshXE1EOMGBQjsUnabDyiDQktZhahV/erwsAsLOygLsDl4wmypIQwOjRwHffSdsKBbBsmbRKKlEBxYBBObbz0hPsvPQUAKC2tkQpNzuZKyIqQISQJsz64QdpW6EAli8H3ntP3rqIcogBg3IsJjFF9/3MTpVkrISogBEC+OQTYNEiaVuhAFas4KqoVCgYtRYJAKSkpGD//v348ccfdeuSPHnyBDExMSYrjgqW9lW9UMvXOesDiUiiUAAeHq++X7WK4YIKDaNaMB48eIA2bdogODgYiYmJaNWqFezt7TFnzhwkJiZi6dKlpq6TiKhwmjRJ+tfHR5qlk6iQMKoFY+TIkahVqxZevnwJa2tr3f7OnTvjwIEDJiuOCoYnEfEAAEuzzCdiI6IMTJrEcEGFjlEtGP/++y+OHTsGpVKpt9/X1xePHz82SWFUMLyMTcL6k8EAgIBKnjJXQ5TPabXAqFFAu3ZA69ZyV0OUq4xqwdBqtelOB/7o0SPYc0KYImXt8QeITdLAv5gDWvt7yF0OUf6l1QIffiiNFunYEdi3T+6KiHKVUQGjdevWWLhwoW5boVAgJiYGU6dOxbvvvmuq2qgAuBcmdertWM0ry7VqiIosrRb44ANp+CkAJCUBL17IWxNRLjPqEsm8efMQEBAAf39/JCQkoE+fPrh9+zZcXV3x66+/mrpGKgDM2f+CKH1aLfD++9IIEQAwNwd++QXo2VPeuohymVEBo3jx4rh48SI2bNiAS5cuISYmBoMHD0bfvn31On1S4aXRCpy5H46boRyWTJQhjUYKF6tXS9vm5sCvvwLdu8taFlFeMCpgJCQkQKVSoV+/fqauhwqAE3dfYPzWS7j/Ik63r5iawZJIj0Yjzca5dq20bW4ObNgAdOsmb11EecSogOHu7o7OnTujX79+aNGiBczMjJ6viwqIFzGJOHDjGS4+jMAv/40acVBZoHVFT3So6oVGZV1lrpAoH9FopAmz1q2Tti0spHDRtau8dRHlIaMCxpo1a7B+/Xp07NgRarUaPXv2RL9+/VCrVi1T10f5xGdbLuHAjWe67d51SmDiu+Vhr7KUsSqifOrsWelSCCCFi02bgM6d5a2JKI8Z1fTQuXNnbN68GaGhoZg1axauXbuGt99+G+XKlcOMGTNMXSPJLCQyAYduSuGijq8z1g2ug9ldKjNcEGWkTh2pxcLaGti8meGCiiSFEEKY4kTXrl1D3759cenSpXTnyMgvoqKioFarERkZCQcHB7nLyfdiE1Mw5fer2HruEer4OmPT0Hpyl0RUcISGvlprhKgQMOQ9NEedJxISErBp0yZ06tQJNWrUQHh4OMaNG5eTU1I+kpCsQZO5h7D13CMAQLeaxWWuiCifSkkBdu9Ou5/hgoowowLGnj17EBgYCA8PD3z00Ufw8PDA3r178eDBA3z99demrpFkEhaTiLCYJABArZJOaFulmMwVEeVDKSlA377AO+8AixfLXQ1RvmF0H4z4+HisXbsWISEh+PHHH9G4cWOjCli8eDF8fX2hUqlQt25dnDp1KtPjIyIiMHz4cBQrVgxWVlYoV64cdu3aZdRjU/aoLM2w5aP6sLUyqk8wUeGVnAz06SN14gSATz8FHj6UtyaifMKod4zQ0FCTrDmyceNGjBkzBkuXLkXdunWxcOFCBAQE4ObNm3B3d09zfFJSElq1agV3d3ds2bIF3t7eePDgARwdHXNcC6Vlmt45RIVUcjLQuzewdau0rVQC27ZJy64TUfYDRlRUlK5DhxACUVFRGR6b3c6T8+fPx5AhQzBo0CAAwNKlS/Hnn39i5cqVGD9+fJrjV65cifDwcBw7dgyWltIIBl9f3+z+CGSgPVdDAABejpxEi0hPcjLQq5cUKADAygr47TegTRtZyyLKT7J9icTJyQnPnklDFR0dHeHk5JTmK3V/diQlJeHs2bNo2bLlq2LMzNCyZUscP3483fvs2LED9erVw/Dhw+Hh4YFKlSph1qxZmY5aSUxMRFRUlN4XZS0+SYOlf98FAHzYuJTM1RDlI0lJ0joir4eL339nuCB6Q7ZbMA4ePAhnZ2cAwKFDh3L8wGFhYdBoNPB4o5e1h4cHbty4ke597t69i4MHD6Jv377YtWsX7ty5g2HDhiE5ORlTp05N9z6zZ8/G9OnTc1xvUXP0ThjCYhLhpVahSw2OHiECIIWLHj2kQAEAKpX0fevW8tZFlA9lO2A0adJE972fnx98fHzSLM8thMDDXOzgpNVq4e7ujp9++gnm5uaoWbMmHj9+jLlz52YYMCZMmIAxY8botqOiouDDa6RZSkzRAgB8nG1gac6p4IkASEuuvx4u/vgDeK0VloheMaqTp5+fH54+fZqmI2Z4eDj8/PyyNdGWq6srzM3NERoaqrc/NDQUnp6e6d6nWLFisLS0hLm5uW5fhQoVEBISgqSkJCiVyjT3sbKygpWVVXZ+LCKizH3yCbBjB5CQIIWLFi3krogo3zLqo6kQIk3rBQDExMRApVJl6xxKpRI1a9bEgQMHdPu0Wi0OHDiAevXSny2yQYMGuHPnDrRarW7frVu3UKxYsXTDBRkvKiEZAJDOfzNR0VWjBrB/P7BzJ8MFURYMasFIvdSgUCgwefJk2NjY6G7TaDQ4efIkqlWrZtD5AgMDUatWLdSpUwcLFy5EbGysblTJgAED4O3tjdmzZwMAPvroIyxatAgjR47EiBEjcPv2bcyaNQuffPKJIT8GZUGrFVhz7D4AoK6fi7zFEMkpKUlarOz1FaNr1JCvHqICxKCAcf78eQBSC8bly5f1Wg2USiWqVq2KsWPHZvt8PXv2xPPnzzFlyhSEhISgWrVq2L17t67jZ3BwsN5S8D4+PtizZw9Gjx6NKlWqwNvbGyNHjsTnn39uyI9BWdh5+SluhETD3soC7zXwk7scInkkJABdugAlS0ozdJqxLxKRIYxa7GzQoEH47rvvCuRiYVzsLHOPI+Lx7nf/IjI+GaNalsWoluXkLoko7yUkSCugpq4vMmYMMG+evDUR5QOGvIca1clz1apVRhVG+du/t59j/NbLiIxPRtXiagxrWkbukojyXnw80KkTsHevtG1rK20TkUGyHTC6dOmC1atXw8HBAV26dMn02G2pE9BQgaDVCkzdcRXrTjwAAJRwtsGiPjWgtGCTMBUx8fFAx47Avn3Stp0d8NdfQMOG8tZFVABlO2Co1WrdyBG1Wp1rBVHeuxsWqwsXgfVK4vN3ysNGyYXNqIiJi5PCxf790radnXSJpEEDeesiKqCM6oNRkLEPxitCCPx96zk2n32EPy89haudFc5M4qRBVATFxQEdOgCpw+bt7aVwUb++vHUR5TO53gcjPj4eQgjdMNUHDx5g+/bt8Pf3R2tOmVtg/PjPXXz916tp2av5OMpXDJFc4uKA9u2BgwelbXt7YM8eIIP5eIgoe4wKGB07dkSXLl0wdOhQREREoE6dOlAqlQgLC8P8+fPx0UcfmbpOygUPXsQCAN4u5YyRLcqhjp+zzBURySA6Gnj8WPrewUEKF2+/LW9NRIWAUb34zp07h0aNGgEAtmzZAk9PTzx48ABr167F999/b9ICKfc1KO2KeqVdYG7GaTupCPLwAA4dAmrXlkaOMFwQmYRRLRhxcXGwt7cHAOzduxddunSBmZkZ3n77bTx48MCkBRIR5bpixYCTJzk3PpEJGdWCUaZMGfz22294+PAh9uzZo+t38ezZsyLfcZKI8rnoaGDcOKnvxesYLohMyqiAMWXKFIwdOxa+vr6oU6eObnGyvXv3onr16iYtkIjIZKKjgXfeAb79Vho18mbIICKTMeoSSbdu3dCwYUM8ffoUVatW1e1v0aIFOnfubLLiiIhMJipKChfHjknb584B9+4BFSvKWxdRIWX0bEqenp7w9PTEo0ePAADFixdHnTp1TFYY5b6g59IoEjsVJ9WiQi4qCmjTBjh+XNp2cpIm1GK4IMo1Rl0i0Wq1mDFjBtRqNUqWLImSJUvC0dERX375JbRaralrpFwQ/CIOp+6FQ6EAAip6yl0OUe6JjAQCAl6FC2dnaUItLrtOlKuM+uj6xRdfYMWKFfj666/R4L9pdI8cOYJp06YhISEBX331lUmLJNPbek5qeWpYxhVejtYyV0OUS1LDxcmT0nZquKhWTdayiIoCowLGmjVrsHz5cnTo0EG3r0qVKvD29sawYcMYMAqAw7eeAwA6VvOWuRKiXBIRIYWLU6ekbRcXKVy81m+MiHKPUZdIwsPDUb58+TT7y5cvj/Dw8BwXRbkvKUW6lOVubyVzJUS55MsvX4ULV1dpKnCGC6I8Y1TAqFq1KhYtWpRm/6JFi/RGlRARyWbmTKBlS8DNTZqps0oVuSsiKlKMukTyzTffoG3btti/f79uDozjx4/j4cOH2LVrl0kLJCIyirU18PvvwKNHQLlycldDVOQY1YLRpEkT3Lp1C126dEFERAQiIiLQpUsX3Lx5U7dGCRFRngoPf7VoWSobG4YLIpkY3IJx//597Nu3D0lJSejVqxcqVaqUG3VRLhFCYNyWS7j+NEruUohM58UL6XJIbKx0OcSbnZeJ5GZQwDh06BDatWuH+Ph46c4WFli5ciX69euXK8WR6e2//gxbzkpDVBUKoISzjcwVEeVQari4cEHa7tMHOHyYa4sQycygSySTJ09Gq1at8PjxY7x48QJDhgzBZ599llu1kYkJIbBw/y0AQLO33HDk8+bwdbWVuSqiHAgLA1q0eBUuPD2BH39kuCDKBxRCCJHdgx0dHXHs2DH4+/sDkJZtd3BwQGhoKFxcXHKtSFOKioqCWq1GZGRkkVv59cjtMPRbcRK2SnP8+3lzONsq5S6JyHjPn0vh4vJlabtYMenyyFtvyVsXUSFmyHuoQS0YUVFRcHV11W3b2NjA2toakZGRxlVKeWrL2YcAgE7VvRkuqGB7M1x4eUmXRRguiPINgzt57tmzB2q1Wret1Wpx4MABXLlyRbfv9Rk+KX+ISkjG7qshAIDutXxkroYoB549k8JF6muOt7fUclG2rLx1EZEegwNGYGBgmn0ffvih7nuFQgGNRpOzqsjkdl8JQUKyFmXc7VC1uDrrOxDlR5GRQPPmwNWr0nbx4lK4KFNG3rqIKA2DLpFotdosvxgu8qejd8IAAO9W8oSCHeCooHJwAJo0kb4vXly6LMJwQZQvGTWTJxUsQgicuPsCAPB26YLRGZcoXQoFsGiRtHBZYCBQurTcFRFRBrLdgnHixIlsnzQuLg5XU5swSXb3X8QhNCoRSnMz1CjhJHc5RIZ5c6CbQgHMmMFwQZTPZTtg9O/fHwEBAdi8eTNiY2PTPebatWuYOHEiSpcujbNnz5qsSMqZ1NaLaiUcobI0l7kaIgM8fQrUrw/w9YSowMn2JZJr165hyZIlmDRpEvr06YNy5crBy8sLKpUKL1++xI0bNxATE4POnTtj7969qFy5cm7WTQZI7X/xtp+zzJUQGeDJE6BZM+DWLWmmzgMHgBo15K6KiLLJoIm2Up05cwZHjhzBgwcPEB8fD1dXV1SvXh3NmjWDs3P+fhMrahNtJWu0qPHlPkQnpGDrR/VQs2T+/v8hAiAtWtasGXD7trTt5yeNFilZUt66iIo4Q95DjerkWatWLdSqVcuo4ihvnbn/EtEJKXC2VaKaD/tfUAHw6JEULu7ckbb9/KTRIiVKyFoWERnGqOXaqeA4cD0UAND0LTeYm3F4KuVzDx8CTZu+ChelSgF//81wQVQAMWAUckf+63/RoryHzJUQZSE1XAQFSdulS0stFz6ceZaoIGLAKOSiE1IAAF6OKpkrIcpEcLAULu7elbbLlGG4ICrgGDAKsSWHg/A4Ih4A4GpnJXM1RJn4559X4aJsWSlcFC8ua0lElDM5nskzISEBKhU/HecXQgiExSTh11PBmL/vFgDg01bl4ONsI3NlRJno1w+IjgYWLgQOHpQWMCOiAs2oYaparRZfffUVli5ditDQUNy6dQulSpXC5MmT4evri8GDB+dGrSZRmIappmi02H7+MZ5FJ+JJRDxuP4vB7dBovIxL1h0zplU5fNKCq0xSAREfD1hby10FEWXAkPdQoy6RzJw5E6tXr8Y333wDpVKp21+pUiUsX77cmFOSEY7cCcO4LZcwd89N/HIyGKfuheNlXDIUCqCkiw2mtvdnuKD86d494Pff0+5nuCAqNIy6RLJ27Vr89NNPaNGiBYYOHarbX7VqVdy4ccNkxVHmIuNftVR81LQ0ynnYoay7PUq72cFaySnBKZ+6e1fq0PnkCbBhA9Ctm9wVEVEuMCpgPH78GGXSWSJZq9UiOTk5nXtQbqpf2gWftykvdxlEWQsKkibRevhQ2v7yS6BTJ8CCCzsTFTZGXSLx9/fHv//+m2b/li1bUL169RwXRUSF0J07UstFarjw9wf27mW4ICqkjPrLnjJlCgIDA/H48WNotVps27YNN2/exNq1a7Fz505T10hEBd3t21LLxePH0nbFitJoEXd3eesiolxjVAtGx44d8ccff2D//v2wtbXFlClTcP36dfzxxx9o1aqVqWukdJx9EI6RGy7IXQZR1m7fllouUsNFpUoMF0RFgNFtk40aNcK+fftMWQsZIHWOCwAo7sSe95RP3bwptVw8fSptV64sLbvu5iZvXUSU64xqwShVqhRevHiRZn9ERARKlSqV46Ioc49exuFYkPT8f9u9KmZ2qixzRUTpSE4G2rZ9FS6qVJFaLhguiIoEowLG/fv3odFo0uxPTEzE49RmUMo12889hhBAvVIu6FazOJQWnPGd8iFLS2DpUkClAqpVk8KFq6vcVRFRHjHoEsmOHTt03+/ZswdqtVq3rdFocODAAfj6+pqsOErfjotPAABda3KtBsrnWraURor4+wMuLnJXQ0R5yKCA0alTJwCAQqFAYGCg3m2Wlpbw9fXFvHnzTFYcpRX8Ig63n8XA3EyBVhW4BDvlM8+fp70E0qiRPLUQkawMalvXarXQarUoUaIEnj17ptvWarVITEzEzZs30a5du9yqlQDsvx4KAKjt6wS1jaXM1RC95upVaYTIjBlyV0JE+YBRo0ju3btn6joomw7ckAJGS7ZeUH5y5QrQvLnUgjF1KuDlBbz/vtxVEZGMjB6mGhsbi7///hvBwcFISkrSu+2TTz7JcWGUvrMPXgIAmpRjT3zKJy5fBlq0kMIFANSuzfVFiMi4gHH+/Hm8++67iIuLQ2xsLJydnREWFgYbGxu4u7szYOSiFI0AADhY8/II5QOXLknhIixM2q5TB9izB3B0lLUsIpKfUeMbR48ejfbt2+Ply5ewtrbGiRMn8ODBA9SsWRPffvutqWskovzo4kXpskhquKhbVxoxwnBBRDAyYFy4cAGffvopzMzMYG5ujsTERPj4+OCbb77BxIkTTV0jEeU3Fy5ILRepE+69/bbUcvHa0HUiKtqMChiWlpYwM5Pu6u7ujuDgYACAWq3Gw9SVEomocHozXNSrx3BBRGkY1QejevXqOH36NMqWLYsmTZpgypQpCAsLw7p161CpUiVT10j/efQyDilaAYUCUFmay10OFVU2NoCVlfR9/frAX38BDg7y1kRE+Y5RLRizZs1CsWLFAABfffUVnJyc8NFHH+H58+f48ccfTVogvbLtnDQNe/3SLlCzkyfJpVw54PBhaaTI7t0MF0SULqNaMGrVqqX73t3dHbt37zZZQZQ+IQS2nH0EAOjGKcJJbuXKAZs3y10FEeVjJl0l69y5c5zJM5f8dSUEweFxsFWaI6Cip9zlUFFy+jQwZAiQkiJ3JURUgBgcMPbs2YOxY8di4sSJuHv3LgDgxo0b6NSpE2rXrg2tVmvyIou6uKQUzNx5DQAwuFEp2CiNnh+NyDAnT0oLli1fDvTty5BBRNlm0DvVihUrMGTIEDg7O+Ply5dYvnw55s+fjxEjRqBnz564cuUKKlSokFu1FlmLDt7Bk8gEFHeyxrCmpeUuh4qKEyeAgAAgKkrafvYMSEoCLBhwiShrBrVgfPfdd5gzZw7CwsKwadMmhIWF4X//+x8uX76MpUuXMlzkgqDnMVj2r9RSNLV9RY4eobxx/DjQuvWrcNGsGbBzpzSChIgoGwwKGEFBQejevTsAoEuXLrCwsMDcuXNRvDg7HeaWn088QLJGoOlbbmhZwV3ucqgoOHZMarmIjpa2mzeXwoWtrbx1EVGBYlBbZ3x8PGz++wSjUChgZWWlG65KpiWEgFYA0QnSNe86fs5QKBQyV0WF3tGjQJs2QEyMtN2iBbBjB1suiMhgBl9MXb58Oezs7AAAKSkpWL16NVxdXfWO4WJnOSOEQL8VJ3H0zgu5S6Gi5MgR4J13XoWLVq2A338HrK3lrYuICiSFEEJk92BfX98sP0UrFArd6JL8KCoqCmq1GpGRkXDIpxMEJSRrUH7yq7lFlBZmWD2oNuqXds3kXkQ5IIR0KeTwYWm7dWvgt98YLohIjyHvoQa1YNy/fz8ndZERjo5vDmcbJayV7NxJuUihALZtk4akurkB27czXBBRjnC8WT7naG3JcEF5w8kJ2L9fChYqldzVEFEBZ9KZPImoADlxAnj5Un+fkxPDBRGZBANGPnTnWYzcJVBhd/Cg1OciIACIiJC7GiIqhBgw8pkbIVEYsPIUAODtUs6wteJVLDKxAweAdu2A+HhpnZGvv5a7IiIqhPJFwFi8eDF8fX2hUqlQt25dnDp1Klv327BhAxQKBTp16pS7BeaRRy/j0GfZSYTHJqFKcTV+7Fcr6zsRGWL//lfhAgDatwemT5e3JiIqlIwOGEFBQZg0aRJ69+6NZ8+eAQD++usvXL161aDzbNy4EWPGjMHUqVNx7tw5VK1aFQEBAbpzZuT+/fsYO3YsGjVqZOyPkO/svhKC8NgklHW3w7r36kJtYyl3SVSY7NsnBYqEBGm7Y0dgyxbAykreuoioUDIqYPz999+oXLkyTp48iW3btiHmv4l5Ll68iKlTpxp0rvnz52PIkCEYNGgQ/P39sXTpUtjY2GDlypUZ3kej0aBv376YPn06SpUqZcyPkC9ptNKUJFWKOzJckGnt2aMfLjp1AjZtApRKWcsiosLLqIAxfvx4zJw5E/v27YPytReo5s2b48SJE9k+T1JSEs6ePYuWLVu+KsjMDC1btsTx48czvN+MGTPg7u6OwYMHZ/kYiYmJiIqK0vvKr7I94xmRIXbvllorEhOl7c6dgY0bGS6IKFcZFTAuX76Mzp07p9nv7u6OsLCwbJ8nLCwMGo0GHh4eevs9PDwQEhKS7n2OHDmCFStWYNmyZdl6jNmzZ0OtVuu+fHx8sl1fXjpx9wV++keaAVVpkS+6xlBhcOaM1FqRGi66dmW4IKI8YdQ7maOjI54+fZpm//nz5+Ht7Z3jojISHR2N/v37Y9myZWnWP8nIhAkTEBkZqft6+PBhrtWXE+tOPEB4bBLe8rDHB40Lz2UfklnVqlKnTgDo1g349VfAkpffiCj3GTUGslevXvj888+xefNmKBQKaLVaHD16FGPHjsWAAQOyfR5XV1eYm5sjNDRUb39oaCg8PT3THB8UFIT79++jffv2un1arVb6QSwscPPmTZQuXVrvPlZWVrAqAJ3YtP/1v+j3dgn4uXJZbDIRS0spVPzvf8CwYQwXRJRnjGrBmDVrFsqXLw8fHx/ExMTA398fjRs3Rv369TFp0qRsn0epVKJmzZo4cOCAbp9Wq8WBAwdQr169NMeXL18ely9fxoULF3RfHTp0QLNmzXDhwoV8e/mDKE8lJelvW1oCI0cyXBBRnjKqBUOpVGLZsmWYPHkyrly5gpiYGFSvXh1ly5Y1+FxjxoxBYGAgatWqhTp16mDhwoWIjY3FoEGDAAADBgyAt7c3Zs+eDZVKhUqVKund39HREQDS7CcqknbsAEaNAvbuBcqUkbsaIirCjAoYR44cQcOGDVGiRAmUKFEiRwX07NkTz58/x5QpUxASEoJq1aph9+7duo6fwcHBMDNjp0eiLP3+O9C9O5CcDDRtCpw8CeRinygioswYFTCaN28Ob29v9O7dG/369YO/v3+Oivj444/x8ccfp3vb4cOHM73v6tWrc/TYRIXC9u1Ajx5ASoq03bQpkE4/JiKivGJU08CTJ0/w6aef4u+//0alSpVQrVo1zJ07F48ePTJ1fUVGTOJ/bwwKhbyFUMGzbZt+uOjfH1izBjA3l7cuIirSjAoYrq6u+Pjjj3H06FEEBQWhe/fuWLNmDXx9fdG8eXNT11jo3XkWgyN3pPlDapZwkrkaKlC2bgV69nwVLgYMAFatYrggItnluHODn58fxo8fj6+//hqVK1fG33//bYq6ipTFh+5ACKCVvwf8vRzkLocKis2b9cNFYCCwciXDBRHlCzkKGEePHsWwYcNQrFgx9OnTB5UqVcKff/5pqtqKjFP3wgEAA+v7ylsIFRybNgG9ewMajbQ9aBCwYgXDBRHlG0Z18pwwYQI2bNiAJ0+eoFWrVvjuu+/QsWNH2NjYmLq+IkEIaZIte5VR/x1UFN248SpcvPcesGwZwNFWRJSPGPWO9s8//2DcuHHo0aNHtqfsJiITmjxZujTy5Anw008MF0SU7xgVMI4ePWrqOojIEAoFMH36q++JiPKZbAeMHTt24J133oGlpSV27NiR6bEdOnTIcWFE9Jr166V5LV4fpcVgQUT5WLYDRqdOnRASEgJ3d3d06tQpw+MUCgU0qdeGiSjnfv5ZGiFiZQXs2iVNokVElM9l+8KtVquFu7u77vuMvhguDJOYokH0f5NsmfETKb1p7VppbgutFoiPl9YaISIqAIzqGbZ27VokJiam2Z+UlIS1a9fmuKiiZNPph4hOSIGngwplPezkLofykzVrgIEDgf9GGWH4cGDePFlLIiLKLqMCxqBBgxAZGZlmf3R0tG4VVMpaYooGiw8FAQCGNSsNKwvOYUD/WbVKmtsiNVyMGAH88AP7XRBRgWFUwBBCQJHOC92jR4+gVqtzXFRRsen0Q4REJcDTQYUetXzkLofyi5UrgcGDX4WLTz4BvvuO4YKIChSDhqlWr14dCoUCCoUCLVq0gIXFq7trNBrcu3cPbdq0MXmRhdGbrRcqS7ZeEIDly4EhQ15tjxwJLFjAcEFEBY5BASN19MiFCxcQEBAAO7tXfQaUSiV8fX3RtWtXkxZYWO28+JStF6Tv/n3go49ebY8eLfW5YLggogLIoIAxdepUAICvry969uwJlUqVK0UVBVvOSkvb961bgq0XJPH1BdatA/r2lcLF3LkMF0RUYBk1k2dgYKCp6yhSHobH4fjdF1AogC41i8tdDuUnvXoBb70FVKvGcEFEBVq2A4azszNu3boFV1dXODk5pdvJM1V4eLhJiiusdl8JAQDUK+UCb0drmashWV27Bvj76++rXl2eWoiITCjbAWPBggWwt7fXfZ9ZwKDMRcYnAwDKedjLXAnJatEiaYTI0qXABx/IXQ0RkUllO2C8fllk4MCBuVELUdHxww9SuACADz+UWi1q15a3JiIiEzJqHoxz587h8uXLuu3ff/8dnTp1wsSJE5GUlGSy4ogKpe++exUuAOCLL4BateSrh4goFxgVMD788EPcunULAHD37l307NkTNjY22Lx5Mz777DOTFkhUqCxYAIwa9Wp78mTgyy/ZoZOICh2jAsatW7dQrVo1AMDmzZvRpEkTrF+/HqtXr8bWrVtNWR9R4TF/PjBmzKvtqVOBGTMYLoioUDJ6qnCtVgsA2L9/P959910AgI+PD8LCwkxXXSEV89/qqUoLo55+KojmzQM+/fTV9rRp0hcRUSFl1DtcrVq1MHPmTKxbtw5///032rZtCwC4d+8ePDw8TFpgYXTpUQQAoEIxjiIpEr77Dhg79tX29OlS6wURUSFmVMBYuHAhzp07h48//hhffPEFypQpAwDYsmUL6tevb9ICC5ukFC2uPIkCAFTzcZK5GsoT9eoBDg7S9zNmAFOmyFsPEVEeMGomzypVquiNIkk1d+5cmJtz2uvM3AiJQlKKFo42lvB1sZG7HMoLdeoA+/YB//yj35JBRFSIGRUwUp09exbXr18HAPj7+6NGjRomKaowu/AwAgBQtbgjJysrzITQ77xZp470RURURBgVMJ49e4aePXvi77//hqOjIwAgIiICzZo1w4YNG+Dm5mbKGguV88ERAIBqPo6y1kG5aOZM4Nkzqe8FQyQRFVFG9cEYMWIEYmJicPXqVYSHhyM8PBxXrlxBVFQUPnl9AiHSk5CswYHroQCAuqWcZa6GcsWXX0pzW/zwgzTfhRByV0REJAujWjB2796N/fv3o0KFCrp9/v7+WLx4MVq3bm2y4gqb/ddDEZWQAi+1Cm/7uchdDpna9On6Q099fNiCQURFllEBQ6vVwtLSMs1+S0tL3fwYlNaWs48AAF1rFoeZGd94CpVp06SAkerbb/XnvSAiKmKMukTSvHlzjBw5Ek+ePNHte/z4MUaPHo0WLVqYrLjC5tyDlwCAgIqeMldCJiOENKfF6+Fi/nyGCyIq8owKGIsWLUJUVBR8fX1RunRplC5dGn5+foiKisIPP/xg6hoLjdSr8bZWORq8Q/mFENKcFjNmvNq3YAEwerR8NRER5RNGvdP5+Pjg3LlzOHDggG6YaoUKFdCyZUuTFleYCCGQopEiBi+OFAJCSJ05v/rq1b43V0klIirCDA4YGzduxI4dO5CUlIQWLVpgxIgRuVFXoXPnWQzikzVQWZrBy9Fa7nIop6KigI0bX23/8APw8cfy1UNElM8YdIlkyZIl6N27N86cOYPbt29j+PDhGDduXG7VVqicuPsCAFCrpDMXOSsM1Grg0CGgTBlg0SKGCyKiNxj0Trdo0SJMnToVN2/exIULF7BmzRr873//y63aCpUTd8MBAG9z/ovCo3hx4OJFYPhwuSshIsp3DAoYd+/eRWBgoG67T58+SElJwdOnT01eWGEihNC1YLxdivNfFEhCAMuXA/Hx+vttuJ4MEVF6DAoYiYmJsLW1fXVnMzMolUrEv/miS3oevYzHi9gkKM3NUKW4o9zlkKGEkBYpGzIE6NwZSEiQuyIionzP4E6ekydPhs1rn9qSkpLw1VdfQa1W6/bNnz/fNNUVEskaafIxlaUZ+18UNEJIc1osWCBt79kDHDgAtG0rb11ERPmcQQGjcePGuHnzpt6++vXr4+7du7ptrhBKhYYQ0pwW330nbSsUwLJlDBdERNlgUMA4fPhwLpVBlM8IIS1W9v330rZCIfXBeO89WcsiIiooOKUk0ZuEkCbMWrRI2lYogBUrgEGD5K2LiKgAYcAgep0Q0pwWqcOvFQpg1SrgtdFTRESUNQaMPKAVWR9D+cSiRfrhYs0aoH9/eWsiIiqAOKQhD5y6J02y5e3EORPyvffeA5o0AczMgLVrGS6IiIzEFow8sOXsQwBA5+peMldCWbK1Bf78E/j3X6BNG7mrISIqsIxuwfj333/Rr18/1KtXD48fPwYArFu3DkeOHDFZcYXB3ecxOBccAXMzBTpV85a7HHqTVguEh+vvs7VluCAiyiGjAsbWrVsREBAAa2trnD9/HomJiQCAyMhIzJo1y6QFFnSXHkUCAGqUcIS7g0rmakiPVgt88AHQoAEQEiJ3NUREhYpRAWPmzJlYunQpli1bBktLS93+Bg0a4Ny5cyYrrjAQkHp4qizNZa6E9Gi10tTfK1YAN24ArVsDKSlyV0VEVGgY1Qfj5s2baNy4cZr9arUaEREROa2JKHdpNMD77wOrV0vb5ubA5MmABbskERGZilEtGJ6enrhz506a/UeOHEGpUqVyXBRRrtFogMGD9cPFhg1A9+6ylkVEVNgYFTCGDBmCkSNH4uTJk1AoFHjy5Al++eUXjB07Fh999JGpayQyDY1Gmo1zzRpp28IC2LgR6NZN3rqIiAoho9qEx48fD61WixYtWiAuLg6NGzeGlZUVxo4dixEjRpi6RqKc02iAgQOBn3+Wti0sgE2bpOXXiYjI5IwKGAqFAl988QXGjRuHO3fuICYmBv7+/rCzszN1fUQ5p9FIU33/8ou0bWEBbN4MdOoka1lERIVZjnq1KZVK+Pv7m6oWotyhUAA2/82iamkphYuOHeWtiYiokDMqYDRr1gwKhSLD2w8ePGh0QUQmZ2YGLF0qhYs2bYD27eWuiIio0DMqYFSrVk1vOzk5GRcuXMCVK1cQyFUnKT8yMwMWL5a7CiKiIsOogLFgwYJ090+bNg0xMTE5Kogox5KTgeHDgWHDgDfCMBER5Q2Trqbar18/rFy50pSnJDJMcjLQuzewbBnQogVw4YLcFRERFUkmnbrw+PHjUKm43gbJJDkZ6NUL2LZN2o6NBUJD5a2JiKiIMipgdOnSRW9bCIGnT5/izJkzmDx5skkKIzJIUpIULrZvl7atrIDffwcCAuSti4ioiDIqYKjVar1tMzMzvPXWW5gxYwZat25tksKIsi0pCejRQwoUAKBSSd/zd5GISDYGBwyNRoNBgwahcuXKcHJyyo2aiLIvKUlaR2THDmlbpZK+b9VK3rqIiIo4gzt5mpubo3Xr1lw1leSXmCitI5IaLqytgZ07GS6IiPIBo0aRVKpUCXfv3jV1LUSG2bMH+OMP6fvUcNGihbw1ERERACMDxsyZMzF27Fjs3LkTT58+RVRUlN4XUZ7o0AFYuFCaBvzPP4HmzeWuiIiI/mNQH4wZM2bg008/xbvvvgsA6NChg96U4UIIKBQKaDQa01ZJlJGRI6XLJN7ecldCRESvMShgTJ8+HUOHDsWhQ4dyqx6ijCUkAKdOAY0b6+9nuCAiyncMChhCCABAkyZNcqUYogzFx0vLqx88CGzZwtVQiYjyOYP7YGS2iipRroiPlwLF3r1ASgowaBDAvj5ERPmawfNglCtXLsuQER4ebnRBRHri4qRwsX+/tG1nJw1LdXCQty4iIsqUwQFj+vTpaWbyzKnFixdj7ty5CAkJQdWqVfHDDz+gTp066R67bNkyrF27FleuXAEA1KxZE7NmzcrweCrA4uKkkSIHDkjb9vbA7t1A/fry1kVERFkyOGD06tUL7u7uJitg48aNGDNmDJYuXYq6deti4cKFCAgIwM2bN9N9nMOHD6N3796oX78+VCoV5syZg9atW+Pq1avwZme/wiM2FmjfHkjtUGxvL817Ua+evHUREVG2GNQHIzf6X8yfPx9DhgzBoEGD4O/vj6VLl8LGxibDZd9/+eUXDBs2DNWqVUP58uWxfPlyaLVaHEj9lEsFX2ws0K7dq3Dh4CD1v2C4ICIqMAwKGKmjSEwlKSkJZ8+eRcuWLV8VZGaGli1b4vjx49k6R1xcHJKTk+Hs7Jzu7YmJiZwIrCARQprX4vBhaTs1XLz9tqxlERGRYQwKGFqt1qSXR8LCwqDRaODh4aG338PDAyEhIdk6x+effw4vLy+9kPK62bNnQ61W6758fHxyXDflIoVCmjzLygpQq4F9+4C6deWuioiIDGTUVOH5xddff40NGzZg+/btUKlU6R4zYcIEREZG6r4ePnyYx1WSwdq0AX77TQoX7LxLRFQgGdzJ05RcXV1hbm6O0NBQvf2hoaHw9PTM9L7ffvstvv76a+zfvx9VqlTJ8DgrKytYWVmZpF7KJUlJgFKpv69NG3lqISIik5C1BUOpVKJmzZp6HTRTO2zWy6RD3zfffIMvv/wSu3fvRq1atfKiVMot0dHSImVffy13JUREZEKytmAAwJgxYxAYGIhatWqhTp06WLhwIWJjYzFo0CAAwIABA+Dt7Y3Zs2cDAObMmYMpU6Zg/fr18PX11fXVsLOzg52dnWw/BxkhKgp45x3g2DHg6FFpyfWRI+WuioiITED2gNGzZ088f/4cU6ZMQUhICKpVq4bdu3frOn4GBwfDzOxVQ8uSJUuQlJSEbt266Z1n6tSpmDZtWl6Wni1XH0ujVmyVsj/V+UtkpHQZ5MQJadvZGeAaN0REhYZCmHrsaT4XFRUFtVqNyMhIOOTydNPPoxPR6JuDSEjWYtWg2mj2lulG4BRokZFAQABw8qS07eIizdZZtaq8dRERUaYMeQ8t0KNI8rsNp4KRkKxFVR9HNC3nJnc5+UNEBNC6NcMFEVEhx3b7XPQiNgkA0KiMK1ehBV6Fi9OnpW1XVylcZDIKiIiICiYGjDzAbAHg5UspXJw5I227ugIHDwKVK8tbFxER5QpeIqG88fw5kDrJmZubtM4IwwURUaHFgEF5o1y5Vy0Whw4BlSrJXREREeUiXiKhvOPvD1y4AJgx1xIRFXZ8pafc8eIFMGUKoNHo72e4ICIqEtiCQaYXFga0bAlcvAjcvQusWQOYm8tdFRER5SF+nCTTCgsDWrSQwgUg9bt48kTemoiIKM8xYOSiZI0WAFBkRqk+fy4tXHbpkrTt5QUcPgz4+MhaFhER5T0GjFx093ksAMDH2UbmSvLAs2dSuLh8Wdr29pbCRblyspZFRETyYB+MXCKEwNUnkQAAf6/cXfNEdqGhUri4dk3aLl5cGopapoy8dRERkWwYMHLJ44h4RCWkwNJcgbLu9nKXk3tCQqRwcf26tF28uNRyUbq0rGUREZG8eIkkl1x7Ii3TXsbdHkqLQvw0jxr1Klz4+DBcEBERALZg5JprT6WA4V+skF8eWbRIChgREdJlkVKl5K6IiIjyAQaMXJLaglHo+1+krogaEwP4+spdDRER5RMMGLkkODwOAODjZC1zJSb29ClgYwOo1a/2ubpKX0RERP8pxJ0D5HP1SSRuhERDoQDe8ixEHTwfPwaaNAHatAGiouSuhoiI8jEGjFzw/YHbAID2VbxQ0sVW5mpM5NEjoGlT4PZt4MQJYOhQuSsiIqJ8jAHDxK4+icSeq6FQKIBPWhSSeSAePpTCxZ070napUsDXX8taEhER5W/sg2Fir7delCkM81+khou7d6Xt0qWl0SKc/puIiDLBFgwTevQyrnC1XgQH64eLMmW4tggREWULA4YJhccmAQCKOagKfuvFgwf64aJsWSlcFC8uZ1VERFRA8BJJLlAoCvj6qU+eSOHi/n1pu2xZ6bKIt7ecVRERUQHCFgxKy9UVqFpV+r5cOanlguGCiIgMwIBBaSmVwKZNwMiRUrjw8pK7IiIiKmB4iYQkQgCvX9pRKoGFC2Urh4iICja2YJhQUooWAGBW0J7VoCCgUSPg3j25KyEiokKioL0V5mtPIhMAAMXUBWj9kTt3pA6dR49K/zJkEBGRCTBgmNCjl9ICZ8ULygJnt29LoeLRI2nb3h6wLSRTmxMRkawYMEzo0ct4AEBxJxuZK8mG1HDx+LG0XakScPAg4O4ua1lERFQ4MGCY0MPwAtKCcfOmtCrqkyfSduXKDBdERGRSDBgm9FjXgpGPA8bNm0CzZsDTp9J2lSpSuHBzk7cuIiIqVBgwTESrFXgUIQUMn/x6ieTGDemySGq4qFoVOHBAmliLiIjIhBgwTCQsJhFJKVqYKQBPtUructK3fTsQEiJ9X60awwUREeUaTrRlIg//uzxSTG0NS/N8mtvGjwciI4G9e4H9+wFnZ7krIiKiQiqfvhMWPKlDVL3zc/8LhQKYPRv491+GCyIiylUMGCYSGZ8MAHCxVcpcyWuuXJHCxOsUCs51QUREuY4Bw8TyzUrtly9Lo0XeeQc4ckTuaoiIqIhhwCiMLl0CmjcHwsKA2Fhg6lRpMTMiIqI8woBR2Fy8+CpcAECdOsC2bfmoaYWIiIoCBozC5MIFKVy8eCFt160rjRhRq2Uti4iIih4GjMLi/HmgRQsgPFzarleP4YKIiGTDgFEYnDunHy7q1wd27wYcHOSti4iIiixOtFXQRUYCAQHAy5fSdoMGwF9/SUuvE5HsNBoNkpOT5S6DKNuUSiXMzHLe/sCAUdCp1cD8+UBgoBQudu1iuCDKB4QQCAkJQUREhNylEBnEzMwMfn5+UCpzNq8TA0Zh0L8/4OICNG4M2NnJXQ0RAbpw4e7uDhsbGyg4kosKAK1WiydPnuDp06coUaJEjn5vGTAKovDwtFN9v/uuPLUQURoajUYXLlxcXOQuh8ggbm5uePLkCVJSUmBpaWn0edjJs6A5cQIoXRpYtUruSogoA6l9LmxsbGSuhMhwqZdGNBpNjs7DgFGQHD8OtG4NREQAgwdL/S2IKN/iZREqiEz1e8uAUVAcOyaNFomOlrabNQOaNpW1JCIioowwYBQER4/qh4uWLYE//gDY/EpEhdyKFSvQunVrucsoNJKSkuDr64szZ87k+mMxYOR3R44AbdoAMTHSdqtWwI4dDBdElCsGDhwIhUIBhUIBS0tL+Pn54bPPPkNCQkKaY3fu3IkmTZrA3t4eNjY2qF27NlavXp3uebdu3YqmTZtCrVbDzs4OVapUwYwZMxCeOkFgOhISEjB58mRMnTo1zW2PHj2CUqlEpUqV0tx2//59KBQKXLhwIc1tTZs2xahRo/T2nT9/Ht27d4eHhwdUKhXKli2LIUOG4NatWxnWllNCCEyZMgXFihWDtbU1WrZsidu3b2d6H41Gg8mTJ8PPzw/W1tYoXbo0vvzyS4g3FrO8fv06OnToALVaDVtbW9SuXRvBwcEApP4VY8eOxeeff55rP1sqBoz87N9/9cNF69bA778D1tby1kVEhVqbNm3w9OlT3L17FwsWLMCPP/6Y5k3+hx9+QMeOHdGgQQOcPHkSly5dQq9evTB06FCMHTtW79gvvvgCPXv2RO3atfHXX3/hypUrmDdvHi5evIh169ZlWMeWLVvg4OCABg0apLlt9erV6NGjB6KionDy5Emjf9adO3fi7bffRmJiIn755Rdcv34dP//8M9RqNSZPnmz0ebPyzTff4Pvvv8fSpUtx8uRJ2NraIiAgIN0gl2rOnDlYsmQJFi1ahOvXr2POnDn45ptv8MMPP+iOCQoKQsOGDVG+fHkcPnwYly5dwuTJk6FSqXTH9O3bF0eOHMHVq1dz7ecDAIgiJjIyUgAQkZGRJj3v6qP3RMnPd4qPfj5jmhP+/bcQtrZCSAutCxEQIER8vGnOTUS5Kj4+Xly7dk3Ev/Y3q9VqRWxisixfWq0227UHBgaKjh076u3r0qWLqF69um47ODhYWFpaijFjxqS5//fffy8AiBMnTgghhDh58qQAIBYuXJju4718+TLDWtq2bSvGjh2bZr9WqxWlSpUSu3fvFp9//rkYMmSI3u337t0TAMT58+fT3LdJkyZi5MiRQgghYmNjhaurq+jUqZPBteWEVqsVnp6eYu7cubp9ERERwsrKSvz6668Z3q9t27bivffe09vXpUsX0bdvX912z549Rb9+/bKsoVmzZmLSpEnp3pbe728qQ95DOQ+GiSSmSMN5rCzMTXNCS0sgdarWNm2A7duB1xIoERUs8cka+E/ZI8tjX5sRABulcS/3V65cwbFjx1CyZEndvi1btiA5OTlNSwUAfPjhh5g4cSJ+/fVX1K1bF7/88gvs7OwwbNiwdM/v6OiY4WMfOXIE/fv3T7P/0KFDiIuLQ8uWLeHt7Y369etjwYIFsLW1Nehn27NnD8LCwvDZZ58ZXNvQoUPx888/Z3r+mNTW5zfcu3cPISEhaNmypW6fWq1G3bp1cfz4cfTq1Svd+9WvXx8//fQTbt26hXLlyuHixYs4cuQI5s+fD0CaJOvPP//EZ599hoCAAJw/fx5+fn6YMGECOnXqpHeuOnXq4N9//820/pxiwDCR6IQUAIC9ykRPab160oJl338PrF7NcEFEeWbnzp2ws7NDSkoKEhMTYWZmhkWLFuluv3XrFtRqNYoVK5bmvkqlEqVKldL1X7h9+zZKlSpl8IRNERERiIyMhJeXV5rbVqxYgV69esHc3ByVKlVCqVKlsHnzZgwcONCgx0jt81C+fHmD7gcAM2bMSDdgZUdISAgAwMPDQ2+/h4eH7rb0jB8/HlFRUShfvjzMzc2h0Wjw1VdfoW/fvgCAZ8+eISYmBl9//TVmzpyJOXPmYPfu3ejSpQsOHTqEJk2a6M7l5eWFBw8eGFV/djFgmEhqwLCzMuFTWr++9EVEBZ61pTmuzQiQ7bEN0axZMyxZsgSxsbFYsGABLCws0LVrV6MeW7zRATG74uPjAUCv7wAgBY9t27bhyJEjun39+vXDihUrDA4YxtYGAO7u7nB3dzf6/sbYtGkTfvnlF6xfvx4VK1bEhQsXMGrUKHh5eSEwMBBarRYA0LFjR4wePRoAUK1aNRw7dgxLly7VCxjW1taIi4vL1XoZMEwkJvG/gGFsC8bBg8C+fcCsWQAn5yEqdBQKhdGXKfKara0typQpAwBYuXIlqlatihUrVmDw4MEAgHLlyiEyMhJPnjxJ08KQlJSEoKAgNGvWTHfskSNHkJycbFArhouLCxQKBV6mrhT9n/Xr1yMhIQF169bV7RNCQKvV6i4dODg4AAAiIyPTnDciIgJqtVpXGwDcuHED9erVy3ZtQM4ukXh6egIAQkND9VqBQkNDUa1atQzPN27cOIwfP153CaVy5cp48OABZs+ejcDAQLi6usLCwgL+/v5696tQoYJeIAOA8PBwuLm5ZVp/TnEUiYnEpF4iMaYFY/9+oG1b4OuvgXHjpG6dRET5gJmZGSZOnIhJkybpWhW6du0KS0tLzJs3L83xS5cuRWxsLHr37g0A6NOnD2JiYvC///0v3fNntNqsUqmEv78/rl27prd/xYoV+PTTT3HhwgXd18WLF9GoUSOsXLkSAODs7AxXV1ecPXtW775RUVG4c+eOLli0bt0arq6u+OabbwyqDZAukbxeQ3pfGfHz84OnpycOHDigV9vJkyczDTpxcXFpllE3NzfXtVwolUrUrl0bN2/e1Dvm1q1ben1oAKlvTfXq1TN8LJPIshtoIZNbo0j6LjshSn6+U2w/98iwO+7dK4RK9Wq0SMeOQiQnm7Q2IspbmfXCz+/SG0WSnJwsvL299UY9LFiwQJiZmYmJEyeK69evizt37oh58+YJKysr8emnn+rd/7PPPhPm5uZi3Lhx4tixY+L+/fti//79olu3bhmOLhFCiDFjxoiuXbvqts+fPy8AiOvXr6c59n//+5/w9PQUyf+9fs6aNUu4uLiIn3/+Wdy5c0ecPHlStGvXTvj6+oq4uDjd/X777TdhaWkp2rdvL/bt2yfu3bsnTp8+LcaNGyd69uxp0HNniK+//lo4OjqK33//XVy6dEl07NhR+Pn56f3ONG/eXPzwww+67cDAQOHt7S127twp7t27J7Zt2yZcXV3FZ599pjtm27ZtwtLSUvz000/i9u3b4ocffhDm5ubi33//1Xv8kiVLirVr16Zbm6lGkTBgmEiHH/4VJT/fKfZdDcn+nfbsEcLK6lW46NRJiMREk9ZFRHmvsAUMIYSYPXu2cHNzEzExMbp9v//+u2jUqJGwtbUVKpVK1KxZU6xcuTLd827cuFE0btxY2NvbC1tbW1GlShUxY8aMTIeCXr16VVhbW4uIiAghhBAff/yx8Pf3T/fYp0+fCjMzM/H7778LIYRISUkR33//vahcubKwsbERxYsXFz179hT37t1Lc9/Tp0+LLl26CDc3N2FlZSXKlCkjPvjgA3H79u0Ma8sprVYrJk+eLDw8PISVlZVo0aKFuHnzpt4xJUuWFFOnTtVtR0VFiZEjR4oSJUoIlUolSpUqJb744guR+Mb7xooVK0SZMmWESqUSVatWFb/99pve7ceOHROOjo56Qet1pgoYCiGKVnt8VFQU1Go1IiMjddfpTKH5vMO4+zwWGz54G2+XysbyzHv2AB07AomJ0nbnzsDGjdLwVCIq0BISEnDv3j34+fml6aRIhunevTtq1KiBCRMmyF1KodGzZ09UrVoVEydOTPf2zH5/DXkPZR8ME4kxZBTJX3/ph4uuXRkuiIjSMXfuXNjZ2cldRqGRlJSEypUr60aZ5KaC0aW5AEgdReKgyiIk7NoltVYkJUnb3boB69czXBARpcPX1xcjRoyQu4xCQ6lUYtKkSXnyWGzBMAGNViAuSZrJM9NhqikpwKefvgoX3bszXBARUaHEgGECqZdHAMDWKpMJbSwspNk5fX2Bnj0ZLoiIqNDiJRITiE5MBgAoLcyyXoukZEng2DHAzU0KHERERIUQWzBM4FX/i3QCw5EjrzpzpipWjOGCiIgKNQYME8hwBMn27UCzZtIokTdDBhERUSHGgGEC0emtQ7JtG9Cjh9Sx888/gaVLZaqOiIgo7zFgmECalVS3bn0VLgCgf3/g449lqo6IiCjvMWCYgG6hM5UlsHmzNEJEIw1bRWAgsGoVYG7YcslERPmVQqHAb7/9JncZlM/li4CxePFi+Pr6QqVSoW7dujh16lSmx2/evBnly5eHSqVC5cqVsWvXrjyqNH0x/40iaXjuINC796twMWgQsGIFwwURFSghISEYMWIESpUqBSsrK/j4+KB9+/Z6q38SZUX2gLFx40aMGTMGU6dOxblz51C1alUEBATg2bNn6R5/7Ngx9O7dG4MHD8b58+fRqVMndOrUCVeuXMnjyl+JSUhBu+v/oN8PE1+Fi/feA5YvZ7ggogLl/v37qFmzJg4ePIi5c+fi8uXL2L17N5o1a4bhw4fLXR4VJFkuh5bL6tSpI4YPH67b1mg0wsvLS8yePTvd43v06CHatm2rt69u3briww8/zNbj5cZqquum/ShSFGavVkV9/30hNBqTnZ+ICpaCvJrqO++8I7y9vfVWTU2VuvIpALFs2TLRqVMnYW1tLcqUKaNbxVQIaSXT9957T/j6+gqVSiXKlSuXZln21FVb586dKzw9PYWzs7MYNmyYSEpK0h2TkJAgPvvsM1G8eHGhVCpF6dKlxfLly3W3X758WbRp00bY2toKd3d30a9fP/H8+XMTPyNFj6lWU5W1BSMpKQlnz55Fy5YtdfvMzMzQsmVLHD9+PN37HD9+XO94AAgICMjw+MTERERFRel9mdp1v0o451Ve2hgyBPjxR8BM9sYhIsqP5s8HihfP+qtDh7T37dAhe/edP9+o0sLDw7F7924MHz4ctra2aW53dHTUfT99+nT06NEDly5dwrvvvou+ffsiPDwcAKDValG8eHFs3rwZ165dw5QpUzBx4kRs2rRJ73yHDh1CUFAQDh06hDVr1mD16tVYvXq17vYBAwbg119/xffff4/r16/jxx9/1C18FhERgebNm6N69eo4c+YMdu/ejdDQUPTo0cOon51MT9bZnsLCwqDRaODh4aG338PDAzdu3Ej3PiEhIekeHxISku7xs2fPxvTp001TcAaKFXfDwk8XYuKjf1Fx7jSGCyLKWFQU8Phx1sf5+KTd9/x59u5r5AepO3fuQAiB8uXLZ3nswIED0bt3bwDArFmz8P333+PUqVNo06YNLC0t9V53/fz8cPz4cWzatEkvADg5OWHRokUwNzdH+fLl0bZtWxw4cABDhgzBrVu3sGnTJuzbt0/3obJUqVK6+y5atAjVq1fHrFmzdPtWrlwJHx8f3Lp1C+XKlTPqOSDTKfTTSU6YMAFjxozRbUdFRcEnvT/cHPi4eVl83LwsgFYmPS8RFUIODoC3d9bHubmlvy8793VwMLwuAEKIbB9bpUoV3fe2trZwcHDQ6zu3ePFirFy5EsHBwYiPj0dSUhKqVaumd46KFSvC/LV+asWKFcPly5cBABcuXIC5uTmaNGmS7uNfvHgRhw4dSncp96CgIAaMfEDWgOHq6gpzc3OEhobq7Q8NDYWnp2e69/H09DToeCsrK1hZWZmmYCKinBozRvoyxo4dpq3lDWXLloVCociwBfl1lm8s1KhQKKDVagEAGzZswNixYzFv3jzUq1cP9vb2mDt3Lk6ePJntc1hbW2f6+DExMWjfvj3mzJmT5rZixYplWT/lPlnb8pVKJWrWrKk39Emr1eLAgQOoV69euvepV69emqFS+/bty/B4IiLKHmdnZwQEBGDx4sWIjY1Nc3tERES2znP06FHUr18fw4YNQ/Xq1VGmTBkEBQUZVEvlypWh1Wrx999/p3t7jRo1cPXqVfj6+qJMmTJ6X+n1H6G8J3tngTFjxmDZsmVYs2YNrl+/jo8++gixsbEYNGgQAKmTz4QJE3THjxw5Ert378a8efNw48YNTJs2DWfOnMHHnCmTiCjHFi9eDI1Ggzp16mDr1q24ffs2rl+/ju+//z7bH+TKli2LM2fOYM+ePbh16xYmT56M06dPG1SHr68vAgMD8d577+G3337DvXv3cPjwYV1H0eHDhyM8PBy9e/fG6dOnERQUhD179mDQoEHQpE4XQLKSPWD07NkT3377LaZMmYJq1arhwoUL2L17t64jZ3BwMJ4+fao7vn79+li/fj1++uknVK1aFVu2bMFvv/2GSpUqyfUjEBEVGqVKlcK5c+fQrFkzfPrpp6hUqRJatWqFAwcOYMmSJdk6x4cffoguXbqgZ8+eqFu3Ll68eIFhw4YZXMuSJUvQrVs3DBs2DOXLl8eQIUN0LSteXl44evQoNBoNWrdujcqVK2PUqFFwdHSEGTva5wsKYUivnkIgKioKarUakZGRcDCyIxQRUWYSEhJw7949+Pn5QaVSyV0OkUEy+/015D2UMY+IiIhMjgGDiIiITI4Bg4iIiEyOAYOIiIhMjgGDiCiXFLE+9FRImOr3lgGDiMjEUmeojIuLk7kSIsMlJSUBgN407sYo9GuREBHlNXNzczg6OurW5rCxsYFCoZC5KqKsabVaPH/+HDY2NrCwyFlEYMAgIsoFqesjvb4AGFFBYGZmhhIlSuQ4FDNgEBHlAoVCgWLFisHd3R3Jyclyl0OUbUql0iSzoTJgEBHlInNz8xxfyyYqiNjJk4iIiEyOAYOIiIhMjgGDiIiITK7I9cFInUAkKipK5kqIiIgKltT3zuxMxlXkAkZ0dDQAwMfHR+ZKiIiICqbo6Gio1epMj1GIIjaXrVarxZMnT2Bvb2+yiW+ioqLg4+ODhw8fwsHBwSTnLOr4nJoen1PT4vNpenxOTSs3nk8hBKKjo+Hl5ZXlUNYi14JhZmaG4sWL58q5HRwc+EdhYnxOTY/PqWnx+TQ9PqemZernM6uWi1Ts5ElEREQmx4BBREREJseAYQJWVlaYOnUqrKys5C6l0OBzanp8Tk2Lz6fp8Tk1LbmfzyLXyZOIiIhyH1swiIiIyOQYMIiIiMjkGDCIiIjI5BgwiIiIyOQYMLJp8eLF8PX1hUqlQt26dXHq1KlMj9+8eTPKly8PlUqFypUrY9euXXlUacFhyHO6bNkyNGrUCE5OTnByckLLli2z/D8oagz9HU21YcMGKBQKdOrUKXcLLIAMfU4jIiIwfPhwFCtWDFZWVihXrhz/9l9j6PO5cOFCvPXWW7C2toaPjw9Gjx6NhISEPKo2//vnn3/Qvn17eHl54f/t3XtYE1f6B/AvARICBKgici0WFKquSlGxxPahWlzQ1rJWBYUiWJTKRbq4tKVeCmgB2yrV+lgtugq4rKhdL2y5iVa6gK5VIOoaBEGQugv6UOoFAQPJ+/vDH/MYCEhoQGjP53nyR2bOOfPO4UzmzcwJo6WlhePHjz+1TkFBAZydnSEQCDB27FikpKQMXIDEPFVGRgbx+Xzat28fXb16lVauXEkmJiZ0+/ZtleWLi4tJW1ubPv/8c5JKpbR+/XrS1dWlK1euDHLkQ5e6ferr60s7d+6ksrIyKi8vp8DAQDI2NqZbt24NcuRDk7r92ammpoasrKzo1VdfJS8vr8EJdphQt08fPXpE06ZNo3nz5lFRURHV1NRQQUEBSSSSQY58aFK3P9PT00kgEFB6ejrV1NRQXl4eWVhYUGRk5CBHPnRlZ2fTunXr6OjRowSAjh071mv5GzdukL6+Pq1Zs4akUint2LGDtLW1KTc3d0DiYwlGH7i4uFBYWBj3Xi6Xk6WlJSUmJqos7+3tTW+88YbSshkzZtB77703oHEOJ+r2aVcdHR0kEokoNTV1oEIcVvrTnx0dHSQWi2nv3r0UEBDAEowu1O3TXbt2kZ2dHclkssEKcVhRtz/DwsJo9uzZSsvWrFlDM2fOHNA4h6u+JBgffvghTZw4UWmZj48PeXh4DEhM7BbJU8hkMpSUlMDd3Z1bxuPx4O7ujnPnzqmsc+7cOaXyAODh4dFj+d+b/vRpVy0tLWhvb8eIESMGKsxho7/9uXHjRpiZmSEoKGgwwhxW+tOnmZmZcHV1RVhYGEaPHo0//OEPSEhIgFwuH6ywh6z+9KdYLEZJSQl3G+XGjRvIzs7GvHnzBiXm36LBPjf97h52pq7GxkbI5XKMHj1aafno0aNx7do1lXUaGhpUlm9oaBiwOIeT/vRpVx999BEsLS27HSy/R/3pz6KiIvz1r3+FRCIZhAiHn/706Y0bN/D999/Dz88P2dnZqKqqQmhoKNrb2xETEzMYYQ9Z/elPX19fNDY24pVXXgERoaOjA6tWrcLatWsHI+TfpJ7OTffv30drayuEQqFGt8euYDDDzubNm5GRkYFjx45BT0/vWYcz7Dx48AD+/v7Ys2cPTE1Nn3U4vxkKhQJmZmZITk7G1KlT4ePjg3Xr1mH37t3POrRhqaCgAAkJCfj6669RWlqKo0ePIisrC5s2bXrWoTF9xK5gPIWpqSm0tbVx+/ZtpeW3b9+Gubm5yjrm5uZqlf+96U+fdtqyZQs2b96MU6dOYfLkyQMZ5rChbn9WV1ejtrYW8+fP55YpFAoAgI6ODioqKmBvbz+wQQ9x/RmjFhYW0NXVhba2Nrds/PjxaGhogEwmA5/PH9CYh7L+9OeGDRvg7++PFStWAAAmTZqEhw8fIjg4GOvWrQOPx74fq6unc5ORkZHGr14A7ArGU/H5fEydOhWnT5/mlikUCpw+fRqurq4q67i6uiqVB4D8/Pwey//e9KdPAeDzzz/Hpk2bkJubi2nTpg1GqMOCuv354osv4sqVK5BIJNzrrbfewqxZsyCRSGBjYzOY4Q9J/RmjM2fORFVVFZesAUBlZSUsLCx+18kF0L/+bGlp6ZZEdCZvxB6h1S+Dfm4akKmjvzEZGRkkEAgoJSWFpFIpBQcHk4mJCTU0NBARkb+/P0VHR3Pli4uLSUdHh7Zs2ULl5eUUExPDfqbahbp9unnzZuLz+fTtt99SfX0993rw4MGz2oUhRd3+7Ir9iqQ7dfu0rq6ORCIRhYeHU0VFBX333XdkZmZGn3766bPahSFF3f6MiYkhkUhEBw8epBs3btDJkyfJ3t6evL29n9UuDDkPHjygsrIyKisrIwCUlJREZWVldPPmTSIiio6OJn9/f658589UP/jgAyovL6edO3eyn6kOBTt27KDnn3+e+Hw+ubi40L///W9unZubGwUEBCiVP3z4MDk4OBCfz6eJEydSVlbWIEc89KnTp7a2tgSg2ysmJmbwAx+i1B2jT2IJhmrq9unZs2dpxowZJBAIyM7OjuLj46mjo2OQox661OnP9vZ2io2NJXt7e9LT0yMbGxsKDQ2lX375ZfADH6LOnDmj8nOxsx8DAgLIzc2tWx0nJyfi8/lkZ2dH+/fvH7D42OPaGYZhGIbRODYHg2EYhmEYjWMJBsMwDMMwGscSDIZhGIZhNI4lGAzDMAzDaBxLMBiGYRiG0TiWYDAMwzAMo3EswWAYhmEYRuNYgsEwDMMwjMaxBIP5zUpJSYGJicmzDqPftLS0cPz48V7LBAYG4k9/+tOgxDPUbNiwAcHBwYOyrYKCAmhpaeHu3bu9lhszZgy2bds2oLGouw1NHQd9GY/qkkqlsLa2xsOHDzXaLjM0sASDGdICAwOhpaXV7VVVVfWsQ0NKSgoXD4/Hg7W1NZYvX447d+5opP36+nrMnTsXAFBbWwstLS1IJBKlMtu3b0dKSopGtteT2NhYbj+1tbVhY2OD4OBgNDU1qdWOJpOhhoYGbN++HevWrVNqvzNOPp+PsWPHYuPGjejo6PjV2xOLxaivr4exsTGAnk/aFy5cGLSkZziIj4+HWCyGvr6+yv6aMGECXn75ZSQlJQ1+cMyAYwkGM+R5enqivr5e6fXCCy8867AAAEZGRqivr8etW7ewZ88e5OTkwN/fXyNtm5ubQyAQ9FrG2Nh4UK7STJw4EfX19airq8P+/fuRm5uLkJCQAd9uT/bu3QuxWAxbW1ul5Z1j5fr16/jLX/6C2NhYfPHFF796e3w+H+bm5tDS0uq13KhRo6Cvr/+rt/dbIZPJsHjx4l7HyvLly7Fr1y6NJILM0MISDGbIEwgEMDc3V3ppa2sjKSkJkyZNgoGBAWxsbBAaGorm5uYe27l06RJmzZoFkUgEIyMjTJ06FRcvXuTWFxUV4dVXX4VQKISNjQ0iIiKeeulWS0sL5ubmsLS0xNy5cxEREYFTp06htbUVCoUCGzduhLW1NQQCAZycnJCbm8vVlclkCA8Ph4WFBfT09GBra4vExESltjsvSXcmVC+99BK0tLTw2muvAVC+KpCcnAxLS0ulx4UDgJeXF959913u/YkTJ+Ds7Aw9PT3Y2dkhLi7uqR/uOjo6MDc3h5WVFdzd3bF48WLk5+dz6+VyOYKCgvDCCy9AKBTC0dER27dv59bHxsYiNTUVJ06c4K4yFBQUAAB++ukneHt7w8TEBCNGjICXlxdqa2t7jScjIwPz58/vtrxzrNja2iIkJATu7u7IzMwEAPzyyy9YtmwZnnvuOejr62Pu3Lm4fv06V/fmzZuYP38+nnvuORgYGGDixInIzs4GoHyLpKCgAMuXL8e9e/e4fYmNjQWgfPvC19cXPj4+SvG1t7fD1NQUaWlpAB4/sjwxMZHrtylTpuDbb7/tdd+76utxcPz4cYwbNw56enrw8PDATz/9pLS+P+PiaeLi4hAZGYlJkyb1WGbOnDloamrCDz/88Ku2xQw9LMFghi0ej4evvvoKV69eRWpqKr7//nt8+OGHPZb38/ODtbU1Lly4gJKSEkRHR0NXVxcAUF1dDU9PTyxcuBCXL1/GoUOHUFRUhPDwcLViEgqFUCgU6OjowPbt27F161Zs2bIFly9fhoeHB9566y3upPbVV18hMzMThw8fRkVFBdLT0zFmzBiV7f74448AgFOnTqG+vh5Hjx7tVmbx4sX4+eefcebMGW5ZU1MTcnNz4efnBwAoLCzEsmXL8P7770MqleKbb75BSkoK4uPj+7yPtbW1yMvLA5/P55YpFApYW1vjyJEjkEql+OSTT7B27VocPnwYABAVFQVvb2+lq1FisRjt7e3w8PCASCRCYWEhiouLYWhoCE9PT8hkMpXbb2pqglQqxbRp054aq1Ao5NoJDAzExYsXkZmZiXPnzoGIMG/ePLS3twMAwsLC8OjRI/zrX//ClStX8Nlnn8HQ0LBbm2KxGNu2beOuXtXX1yMqKqpbOT8/P/zzn/9UOtnn5eWhpaUFCxYsAAAkJiYiLS0Nu3fvxtWrVxEZGYl33nlHrZNtX46DlpYWxMfHIy0tDcXFxbh79y6WLFnCre/PuHjttdcQGBjY5zh7wufz4eTkhMLCwl/dFjPEDNhzWhlGAwICAkhbW5sMDAy416JFi1SWPXLkCI0cOZJ7v3//fjI2Nubei0QiSklJUVk3KCiIgoODlZYVFhYSj8ej1tZWlXW6tl9ZWUkODg40bdo0IiKytLSk+Ph4pTrTp0+n0NBQIiJavXo1zZ49mxQKhcr2AdCxY8eIiKimpoYAUFlZmVKZro9Z9/LyonfffZd7/80335ClpSXJ5XIiInr99dcpISFBqY0DBw6QhYWFyhiIiGJiYojH45GBgQHp6elxj4ROSkrqsQ4RUVhYGC1cuLDHWDu37ejoqNQHjx49IqFQSHl5eSrbLSsrIwBUV1entPzJ9hUKBeXn55NAIKCoqCiqrKwkAFRcXMyVb2xsJKFQSIcPHyYiokmTJlFsbKzKbXY+FrvzUeFd//adbG1t6csvvySix48bNzU1pbS0NG790qVLycfHh4iI2traSF9fn86ePavURlBQEC1dulRlHF23oYqq4wCA0qPRy8vLCQCdP3+eiPo2Lp4cj0RE/v7+FB0d3WMcT+qpvzotWLCAAgMD+9QWM3zoPKvEhmH6atasWdi1axf33sDAAMDjb/OJiYm4du0a7t+/j46ODrS1taGlpUXlffA1a9ZgxYoVOHDgAHeZ397eHsDj2yeXL19Geno6V56IoFAoUFNTg/Hjx6uM7d69ezA0NIRCoUBbWxteeeUV7N27F/fv38f//vc/zJw5U6n8zJkzcenSJQCPv1HPmTMHjo6O8PT0xJtvvok//vGPv6qv/Pz8sHLlSnz99dcQCARIT0/HkiVLwOPxuP0sLi5W+mYql8t77TcAcHR0RGZmJtra2vC3v/0NEokEq1evViqzc+dO7Nu3D3V1dWhtbYVMJoOTk1Ov8V66dAlVVVUQiURKy9va2lBdXa2yTmtrKwBAT0+v27rvvvsOhoaGaG9vh0KhgK+vL2JjY3H69Gno6OhgxowZXNmRI0fC0dER5eXlAICIiAiEhITg5MmTcHd3x8KFCzF58uRe4++Njo4OvL29kZ6eDn9/fzx8+BAnTpxARkYGAKCqqgotLS2YM2eOUj2ZTIaXXnqpz9vpy3Ggo6OD6dOnc3VefPFFmJiYoLy8HC4uLv0aF523eTRBKBSipaVFY+0xQwNLMJghz8DAAGPHjlVaVltbizfffBMhISGIj4/HiBEjUFRUhKCgIMhkMpUfiLGxsfD19UVWVhZycnIQExODjIwMLFiwAM3NzXjvvfcQERHRrd7zzz/fY2wikQilpaXg8XiwsLCAUCgEANy/f/+p++Xs7Iyamhrk5OTg1KlT8Pb2hru7u9r34J80f/58EBGysrIwffp0FBYW4ssvv+TWNzc3Iy4uDm+//Xa3uqpO2J06f5UBAJs3b8Ybb7yBuLg4bNq0CcDjORFRUVHYunUrXF1dIRKJ8MUXX+D8+fO9xtvc3IypU6cqJXadRo0apbKOqakpgMdzKrqW6UxG+Xw+LC0toaPT94+4FStWwMPDA1lZWTh58iQSExOxdevWbomUOvz8/ODm5oY7d+4gPz8fQqEQnp6eAMDdOsnKyoKVlZVSvadN7u3Un+NAlf6OC01pamrikn3mt4MlGMywVFJSAoVCga1bt3Lfzjvv9/fGwcEBDg4OiIyMxNKlS7F//34sWLAAzs7OkEql3RKZp+HxeCrrGBkZwdLSEsXFxXBzc+OWFxcXw8XFRamcj48PfHx8sGjRInh6eqKpqQkjRoxQaq9zvoNcLu81Hj09Pbz99ttIT09HVVUVHB0d4ezszK13dnZGRUWF2vvZ1fr16zF79myEhIRw+ykWixEaGsqV6XoFgs/nd4vf2dkZhw4dgpmZGYyMjPq0bXt7exgZGUEqlcLBwUFpnapkFADGjx+Pjo4OnD9/HmKxGADw888/o6KiAhMmTODK2djYYNWqVVi1ahU+/vhj7NmzR2WCoWpfVBGLxbCxscGhQ4eQk5ODxYsXc/N+JkyYAIFAgLq6OqUxoo6+HgcdHR24ePEiN/YqKipw9+5d7sqcpsZFf/3nP//BokWLnsm2mYHDJnkyw9LYsWPR3t6OHTt24MaNGzhw4AB2797dY/nW1laEh4ejoKAAN2/eRHFxMS5cuMB9wH700Uc4e/YswsPDIZFIcP36dZw4cULtSZ5P+uCDD/DZZ5/h0KFDqKioQHR0NCQSCd5//30Aj2f/Hzx4ENeuXUNlZSWOHDkCc3NzlT87NTMzg1AoRG5uLm7fvo179+71uF0/Pz9kZWVh37593OTOTp988gnS0tIQFxeHq1evory8HBkZGVi/fr1a++bq6orJkycjISEBADBu3DhcvHgReXl5qKysxIYNG3DhwgWlOmPGjMHly5dRUVGBxsZGtLe3w8/PD6ampvDy8kJhYSFqampQUFCAiIgI3Lp1S+W2eTwe3N3dUVRU1Od4x40bBy8vL6xcuRJFRUW4dOkS3nnnHVhZWcHLywsA8Oc//xl5eXmoqalBaWkpzpw50+OtsTFjxqC5uRmnT59GY2Njr5f3fX19sXv3buTn5yv9PUQiEaKiohAZGYnU1FRUV1ejtLQUO3bsQGpqap/2q6/Hga6uLlavXo3z58+jpKQEgYGBePnll7mEoz/jYtmyZfj44497ja+urg4SiQR1dXWQy+WQSCSQSCRKE19ra2vx3//+F+7u7n3aZ2YYedaTQBimN6omBnZKSkoiCwsLEgqF5OHhQWlpaT1OxHv06BEtWbKEbGxsiM/nk6WlJYWHhytN4Pzxxx9pzpw5ZGhoSAYGBjR58uRukzSf9LSJa3K5nGJjY8nKyop0dXVpypQplJOTw61PTk4mJycnMjAwICMjI3r99deptLSUW48uk+r27NlDNjY2xOPxyM3Nrcf+kcvlZGFhQQCourq6W1y5ubkkFotJKBSSkZERubi4UHJyco/7ERMTQ1OmTOm2/ODBgyQQCKiuro7a2tooMDCQjI2NycTEhEJCQig6Olqp3p07d7j+BUBnzpwhIqL6+npatmwZmZqakkAgIDs7O1q5ciXdu3evx5iys7PJysqKm7zaU188qampifz9/cnY2JgbM5WVldz68PBwsre3J4FAQKNGjSJ/f39qbGwkou6TPImIVq1aRSNHjiQAFBMTQ0SqJ2BKpVICQLa2tt0m9CoUCtq2bRs5OjqSrq4ujRo1ijw8POiHH37ocT+6bqOvx8E//vEPsrOzI4FAQO7u7nTz5k2ldp82LrqORzc3NwoICOgxTqLHfxP8/6TgJ1+df3siooSEBPLw8Oi1HWZ40iIiehaJDcMwTH8REWbMmMHd6mKGJ5lMhnHjxuHvf/97twnRzPDHbpEwDDPsaGlpITk5mf33x2Gurq4Oa9euZcnFbxS7gsEwDMMwjMaxKxgMwzAMw2gcSzAYhmEYhtE4lmAwDMMwDKNxLMFgGIZhGEbjWILBMAzDMIzGsQSDYRiGYRiNYwkGwzAMwzAaxxIMhmEYhmE0jiUYDMMwDMNo3P8B23pGuwd16vkAAAAASUVORK5CYII=",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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zsxMvX77UeIzsvu/4+/tn+H94W1anddq1a/fe9870Mms5yc7xt23btkzPCKQ3ZMgQYWdn987ThG+3nKSv6e3TOm+/X+rrGBZCiFOnTunUzcKwemrqqFmzZnBxcYG3tzc6duwIa2tr7NixQ/0tNyIiAocOHULnzp0RExOD8PBwhIeH49WrVwgMDMTdu3fVo3u2bNkCf3//DN/wAai/yWzatAlly5ZFmTJl1PsKDw9Xd/g5fPhwlrV26dIFKSkpGil43759iIyMRJcuXQAAQghs2bIFrVu3hhBC4zECAwMRFRWFCxcuaOw3KCgoWx3MYmJiAEjfWrKiui06Olpjfdu2beHp6alerlmzJgICAtRDxbR5nlX69euXoeNt+r8jJSUFr169QsmSJeHg4JDh79ZWnz59NFqV6tevDwB48OABAODcuXN49eoV+vXrp9EZs0ePHhotcVlRPWfven4z89VXX2ks169fH69evdL4P0j/vERFRSE8PBwNGzbEgwcPEBUVpXF/X19fdStcetnZx/79+xETE4PRo0dn6FCenaGR2h4fDRs2RLly5d67XwcHB5w9exYvXrx477bvExYWhmPHjqFv374oVqyYxm3v+xtfvXoFAFm+Hm7dugUXFxe4uLigTJkymDFjBj755JMMw5jT/1+oWhZq1aoFAJm+zt/3GlEdh4MHD9bY7u1W1rS0NOzbtw9t27aFn5+fen3RokXRvXt3nDhxIsOx/9lnn2k8LwEBARBC4LPPPlOvMzY2RvXq1dXHUnpt2rTB/v37NX5Ur8/du3fD3d0d3bp1U29vamqKwYMHIzY2FkePHtXYV4cOHeDi4qJe1uZ9x8HBAdevX8fdu3cz1Pg+uh7b6WXn+FO1ru3atQspKSmZ7sfBwQFxcXHYv3+/zrW8iz6PYdVxou10CQXitM7ChQtRunRpREVFYeXKlTh27BjMzc3Vt9+7dw9CCIwfPz7LYU0vX76Ep6cn7t+/jw4dOrzz8e7evYubN29qHCBv7ysr/v7+KFOmDDZs2KA+sDds2ABnZ2f1f3xYWBgiIyOxdOnSLId6vf0Yvr6+76xZRXVgxcTEaDQxp5dVgClVqlSGbUuXLo2NGzcC0O55flfdCQkJmDZtGlatWoXnz59rDG1++0NYW29/EKkOnNevXwOAes6K9D3ZAel0V1anG9Kzs7MD8OY51Eddqn2ePHkSEydOxOnTpxEfH6+xfVRUFOzt7dXLWb0esrOP+/fvA4B2TbDpaHt8ZPe1+/PPPyMoKAje3t6oVq0aPv74Y/Tq1UvjAza7VB+guv6NALIccu/j44Nly5ZBqVTi/v37+PHHHxEWFpYh6EVERGDy5MlYv359hucks9f5+14jjx8/hpGREUqUKKGxneqUnkpYWBji4+MzrAek06JKpRJPnz5F+fLls3xs1WvN29s7w3rVsZSel5eXxini9B4/foxSpUplGNWoOkX79jwyb79etHnfmTJlCtq0aYPSpUujQoUKaNGiBXr27Jnl6Y300h/bWb13vk92jr+GDRuiQ4cOmDx5MmbPno1GjRqhbdu26N69u/pzrX///ti4cSM++ugjeHp6onnz5ujcuTNatGihU11v0+cxrDpOtJ3zpUCEk5o1a6J69eoApG/39erVQ/fu3XH79m3Y2Nio5xcYMWJEpt8mgYwfRu+iVCpRsWJFzJo1K9Pb3z5g39alSxf8+OOPCA8Ph62tLXbs2IFu3bqpv6mr6v30008z9E1Reftgyu6wvLJly+LPP//ElStX0KBBg0y3uXLlCgBk69tsero8z5nVPWjQIKxatQpDhw5F7dq1YW9vD4VCga5du+Z4roishkdn9UGjrTJlygAArl69isqVK2f7fu+r6/79+2jatCnKlCmDWbNmwdvbG2ZmZti9ezdmz56d4XnJ7HnVdh+60vb4yO5rt3Pnzqhfvz62bduGffv2YcaMGZg+fTq2bt2Kjz76KMd1Z1eRIkUAINMPYQCwtrbW+CCuW7cuqlatirFjx2LevHnq9Z07d8apU6cwcuRIVK5cWf1e1aJFi0z/L3L7tfsuWT12Zutzu563Xy/avO80aNAA9+/fx/bt27Fv3z4sX74cs2fPxuLFi/H555+/83HTH9uqFldtZPf4UygU2Lx5M86cOYOdO3di79696Nu3L2bOnIkzZ87AxsYGrq6uuHTpEvbu3Yu///4bf//9N1atWoVevXphzZo1Wtf2Nn0ew6rjxNnZWasaCkQ4Sc/Y2BjTpk1D48aNsWDBAowePVr9zcrU1DTL9K5SokQJXLt27b3bXL58GU2bNtVpBsAuXbpg8uTJ2LJlC9zc3BAdHY2uXbuqb3dxcYGtrS3S0tLeW6+2WrVqhWnTpmHt2rWZhpO0tDSsW7cOjo6OqFu3rsZtmTWF3rlzR92ioM3z/C6bN29GUFAQZs6cqV6XmJiIyMhIje1yY/ZF1YRa9+7dQ+PGjdXrU1NT8ejRo/d+w/roo49gbGyM3377LUcd5962c+dOJCUlYceOHRrfYt91ClHXfai+eV+7du2doT2r5z+nx8e7FC1aFP3790f//v3x8uVLVK1aFT/++KM6nGT38VSv1fcd65lRfUg9fPgwW9tXqlQJn376KZYsWYIRI0agWLFieP36NQ4ePIjJkydjwoQJ6m11Od2gUrx4cXVrTfpWkdu3b2ts5+LiAisrqwzrAemUlJGR0Xu/YOlT8eLFceXKFSiVSo3Wk1u3bqlvfxdt33ecnJzQp08f9OnTB7GxsWjQoAEmTZqkDidZvYZat26NadOm4bffftMpnGh7DNeqVQu1atXCjz/+iHXr1qFHjx5Yv369uk4zMzO0bt0arVu3hlKpRP/+/bFkyRKMHz9eqy/bmdHnMaw6Tt43WOFtBaLPydsaNWqEmjVrYs6cOUhMTISrqysaNWqEJUuWIDg4OMP2YWFh6t87dOiAy5cvY9u2bRm2U30j6Ny5M54/f45ly5Zl2CYhIUE96iQrZcuWRcWKFbFhwwZs2LABRYsW1QgKxsbG6NChA7Zs2ZLpm2f6erVVp04dNGvWDKtWrcKuXbsy3D5u3DjcuXMHo0aNypCG//zzT40+I//88w/Onj2r/mDQ5nl+F2Nj4wzfvubPn4+0tDSNddbW1gCQIbTkRPXq1VGkSBEsW7YMqamp6vW///57lt+U0/P29ka/fv2wb98+zJ8/P8PtSqUSM2fOxLNnz7SqS/UN9e1TXKtWrdL7Ppo3bw5bW1tMmzYNiYmJGrelv6+1tXWmpx9yenxkJi0tLcNjubq6wsPDA0lJSe+t6W0uLi5o0KABVq5ciSdPnmjc9r5v/p6envD29tZqpt9Ro0YhJSVF/U00s/8LADma3VZ1HKZvnclsn8bGxmjevDm2b9+uMbtyaGgo1q1bh3r16qlPYeSFjz/+GCEhIdiwYYN6XWpqKubPnw8bGxs0bNjwnffX5n1H1V9IxcbGBiVLlszwGgIyvq/Url0bLVq0wPLlyzMdkZmcnIwRI0ZkWWd2j7/Xr19neF2oWmFVdb79dxgZGam/OKX/W3Slz2P4/PnzsLe31zhNmB0FruVEZeTIkejUqRNWr16Nr776CgsXLkS9evVQsWJF9OvXD35+fggNDcXp06fx7NkzXL58WX2/zZs3o1OnTujbty+qVauGiIgI7NixA4sXL4a/vz969uyJjRs34quvvsLhw4dRt25dpKWl4datW9i4cSP27t2rPs2UlS5dumDChAmwsLDAZ599luF8608//YTDhw8jICAA/fr1Q7ly5RAREYELFy7gwIEDiIiI0Pm5Wbt2LZo2bYo2bdqge/fuqF+/PpKSkrB161YcOXIEXbp0wciRIzPcr2TJkqhXrx6+/vprJCUlYc6cOShSpAhGjRql3ia7z/O7tGrVCr/++ivs7e1Rrlw5nD59GgcOHFA3p6tUrlwZxsbGmD59OqKiomBubo4mTZrA1dVV5+fGzMwMkyZNwqBBg9CkSRN07twZjx49wurVq1GiRIlsfYuYOXMm7t+/j8GDB2Pr1q1o1aoVHB0d8eTJE2zatAm3bt3SaCnLjubNm6u/KX355ZeIjY3FsmXL4Orqmukbck72YWdnh9mzZ+Pzzz9HjRo10L17dzg6OuLy5cuIj49XNxtXq1YNGzZswPDhw1GjRg3Y2NigdevWejk+3hYTEwMvLy907NgR/v7+sLGxwYEDB/Dvv/9qtLBlVVNm5s2bh3r16qFq1ar44osv4Ovri0ePHuGvv/7CpUuX3llPmzZtsG3bNgghsvWaKFeuHD7++GMsX74c48ePR5EiRdCgQQP8/PPPSElJgaenJ/bt25ft1pjMVK5cGd26dcMvv/yCqKgo1KlTBwcPHsS9e/cybPvDDz9g//79qFevHvr37w8TExMsWbIESUlJ+Pnnn3WuQRdffPEFlixZgt69e+P8+fPw8fHB5s2bcfLkScyZMydbHVCz+75Trlw5NGrUCNWqVYOTkxPOnTunHp6uUq1aNQBSx+LAwEAYGxurj9e1a9eiefPmaN++PVq3bo2mTZvC2toad+/exfr16xEcHIz//e9/mdaY3eNvzZo1+OWXX9CuXTuUKFECMTExWLZsGezs7PDxxx8DkIaMR0REoEmTJvDy8sLjx48xf/58VK5cWesWiszo8xjev38/WrdurX0LjFZjewxMVpOwCSHNUleiRAlRokQJ9XCr+/fvi169egl3d3dhamoqPD09RatWrTLM9vfq1SsxcOBA4enpqZ58JigoSGNYb3Jyspg+fbooX768MDc3F46OjqJatWpi8uTJIioqSr3d20OJVe7evaseUnfixIlM/77Q0FAxYMAA4e3tLUxNTYW7u7to2rSpWLp0qXob1XCxTZs2afXcxcTEiEmTJony5csLS0tLYWtrK+rWrStWr16dYShl+smPZs6cKby9vYW5ubmoX7++uHz5coZ9Z+d5ftf/3evXr0WfPn3UE0kFBgaKW7duZfpcLlu2TPj5+QljY2ONYXNZDSV++3nKanKuefPmieLFiwtzc3NRs2ZNcfLkSVGtWjXRokWLbDy70rDK5cuXi/r16wt7e3thamoqihcvLvr06aMxzDiroX2q5yf9xHM7duwQlSpVUk/KNH36dLFy5coM26kmYctMdveh2rZOnTrC0tJS2NnZiZo1a4o//vhDfXtsbKzo3r27cHBw0JjwTIjsHx94xwRdSDf8NSkpSYwcOVL4+/urJw3z9/fPMIFVVjVl9f987do10a5dO+Hg4CAsLCzEBx98IMaPH59pPelduHBBPTlZellNwiaEEEeOHNH4m549e6Z+bHt7e9GpUyfx4sWLDMN+tXmNJCQkiMGDB4siRYoIa2vr907CFhgYKGxsbISVlZVo3LixOHXqVKaP8fZxmlVNQUFBwtraWmPdu/6PVUJDQ9XHvJmZmahYsWKG/6v070OZyc77zg8//CBq1qwpHBwchKWlpShTpoz48ccfRXJysnqb1NRUMWjQIOHi4iIUCkWmw4H/97//iRo1aggbGxthZmYmSpUqJQYNGiTu3buX4TlKLzvH34ULF0S3bt1EsWLFhLm5uXB1dRWtWrUS586dU+9n8+bNonnz5uoJOosVKya+/PJLERwcrN4mJ0OJhdDPMXzz5k31dB/aUvy3c6IsPXr0CL6+vpgxY8Y7my0LMqVSCRcXF7Rv3z7Tpk4qfJo2bQoPD48Mk3URkWTo0KE4duwYzp8/r3XLSYHsc0KUE4mJiRnO+a5duxYRERF6v6w45V9Tp07Fhg0bMgx1JSKpX8zy5cvxww8/6NSptsD2OSHS1ZkzZzBs2DB06tQJRYoUwYULF7BixQpUqFABnTp1krs8MhABAQEGcwVaIkNTpEgRxMbG6nx/hhOit/j4+MDb2xvz5s1DREQEnJyc0KtXL/z0009ZXrOIiIj0h31OiIiIyKCwzwkREREZFIYTIiIiMiiFrs+JUqnEixcvYGtrmyvTnxMRERVUQgjExMTAw8Mjw+Sh+lTowsmLFy/y9LoRREREBc3Tp0/h5eWVa/svdOFENRXy06dP8/T6EURERPlddHQ0vL29s3VZgZwodOFEdSrHzs6O4YSIiEgHud0tgh1iiYiIyKAwnBAREZFBYTghIiIig8JwQkRERAaF4YSIiIgMCsMJERERGRSGEyIiIjIoDCdERERkUBhOiIiIyKAwnBAREZFBYTghIiIig8JwQkRERAaF4YSIiIgMCsMJERERGRRZw8mxY8fQunVreHh4QKFQ4M8//3zvfY4cOYKqVavC3NwcJUuWxOrVq3O9TiIiIso7soaTuLg4+Pv7Y+HChdna/uHDh2jZsiUaN26MS5cuYejQofj888+xd+/eXK6UiIiI8oqJnA/+0Ucf4aOPPsr29osXL4avry9mzpwJAChbtixOnDiB2bNnIzAwMLfKJCIiPUtMScO5R68Rm5QidykFk1IJk5hopNo7oHYJZ9hbmspdkVZkDSfaOn36NJo1a6axLjAwEEOHDs3yPklJSUhKSlIvR0dH51Z5RESFlhACodFJuBMag7svYxEZn5zltk8j4nHg5kvEJqXmYYWFh0Io8ePehajx7Aa6dZuKtWM+YTjJTSEhIXBzc9NY5+bmhujoaCQkJMDS0jLDfaZNm4bJkyfnVYlERAVCdGIKDtwIxeHbYYh7T4iIjE/G3ZexiEnULmy42ZnD29EqJ2XSWxRKJb5cNx3NLkvdHTZvmwyMay1zVdrLV+FEF2PGjMHw4cPVy9HR0fD29paxIiIiw6QKJLuvBuPYnXAkpym1ur+xkQI+RaxQ2s0WrrbmUCgUmW5nbW6MJmVcUcXbEUZGmW9DOlAqgX79gFO7pGVjY/jM/AFwt5e3Lh3kq3Di7u6O0NBQjXWhoaGws7PLtNUEAMzNzWFubp4X5RER5arElDRcfxGNmET99tMIi0nC3ushGQJJSVcbfFzBHV5O727dsDIzRilXW/g6W8PMhDNUyCItDfj8c0A1gtXYGPjjD6BTJ1nL0lW+Cie1a9fG7t27Ndbt378ftWvXlqkiIiqIrjyLxPG74XKXoRYWk4SLT17j+otopCpFrj5WCRdrtKzkgZYVi6K0m02WrR9kYMaN0wwm69cDHTvKWlJOyBpOYmNjce/ePfXyw4cPcenSJTg5OaFYsWIYM2YMnj9/jrVr1wIAvvrqKyxYsACjRo1C3759cejQIWzcuBF//fWXXH8CEeUTodGJ+PtqMM4/iYTyPR/wf10NzqOqtOdsYw53e/22BpsZG6FeKRcGkvzsq6+klpIXL6Rg0qGD3BXliKzh5Ny5c2jcuLF6WdU3JCgoCKtXr0ZwcDCePHmivt3X1xd//fUXhg0bhrlz58LLywvLly/nMGIiUlMqBeJT0hAZn4xLTyNx4XEkzj95jSvPIiG0bHQILO8GB0uz3ClUC1bmxqjs7YCqxRzh5WjJ8EAZ+fgAR44A168DrVrJXU2OKYTQ9nDN36Kjo2Fvb4+oqCjY2dnJXQ4RaUEIgesvojVGj8QkpuJeWKw0hDU0FvdexiIhJS3T+1ct5oCmZd1ga/H+72Vl3O1Q09dJb7UT6VVqqtQB1ixvw3NefYbmqz4nRFQ4JaakYful51hx4iHuhMZm6z7GRgqULWqLqsUcUbWYIwL8nFDUPvOO80T5Smoq0KsXEBsLbNoEFMBBHwwnRGSQXsYk4sLjSJx7FIFtF5/jVZw0qZeVmTGK2luotzM3MUYJVxuUdrVBKTdblHKzgaeDJUyMFDAx5sgRKmBSU4GePaV+JQDw6adSQClgGE6IKNelZXOEiVIIrDn1CKtPPcKz1wkat3nYW6BPXV90qekNO4v8NdslkV6kpgI9egAbN0rLZmZAUJC8NeUShhMi0pvUNCXuhMYiPjkV155H4cKTSFx48jpD0MgOIwVQ2s0WVYs7ol5JZzQv58aWECq8UlKkYKJqJTEzA7ZuBVq2lLeuXMJwQkQ5lpqmxPZLLzD/0F08ehWfo33ZWpjg2xZl0LaKJ2zM+RZFhJQUoHt3YPNmadnMDNi2Dfj4Y3nrykU88olIZ5mFEmszYzham6GEi43UGbW4A8q428HUOHvDX63MTDjLKJFKSgrQtavUSgJInV///BNo0ULWsnIbwwkR6eTonTBM2nEdD8PjAACOVqb4okEJ9KpdHNZs8SDKueRkKZhs2yYtm5sD27cDhWBuL76DEJFWohNTMPWvm1j/71MADCVEuSY5GXj5UvrdwkIKJs2by1tTHuE7CRFl29E7YRi95QqCoxIBAL3r+GBE4AfsG0KUG2xsgL//Btq1A779FvjwQ7kryjN8RyGi93q7taR4ESv83KESAvyKyFwZUQFnawvs3w8UsksWMJwQUQbJqUrcfRmD6y+iceNFNPZeD9FoLRnV4gNYmfHtg0ivkpKA0aOBsWMBF5c36wtZMAEYTogKvcSUNFx9HoXrz6Nw/UU0rr+Ixt2XMUhJ05w4ja0lRLkoMVG6kvDu3cDBg8ChQ4Czs9xVyYbhhKgQ23c9BOP+vIawmKQMt9lZmKCchx3Ke9ijgqcdWpQvCkszYxmqJCrgEhOB9u2l/iUAcP8+cOcOwwkRFWxCCPx1NRi3Q2LU6+6GxmLP9RAAgLONGfy9HFDeww7lPOxR3sMOXo6WUBTC5mSiPJWYKHV43bNHWrayklpP6tSRty6ZMZwQFXDPXsdj9JarOHEvPMNtRgrgiwYlMLRZKViYslWEKE8lJABt2wL79knL1tZSMGnQQNayDAHDCVEBcjM4GlN23sCD8Fj1utfxKUhOVcLcxAjtq3rC3EQKISZGCrT294C/t4NM1RIVYgkJQJs20kgcQAomf/8N1K8vb10GguGEqABISVNi0ZH7mH/oboaOrABQvbgjZnTyh6+ztQzVEZGG+HgpmBw4IC2r5jOpV0/eugwIwwlRPnfvZSyGbriIa8+jAQAflnPDgMYl1deyMTcxgp+zDYyM2H+EyCAsWvQmmNjaSv1NCnkfk7cxnBDlY6/jktFrxVm8iEqEvaUpJn9SHm0qe7AjK5EhGzoUuHxZuoDf3r1A7dpyV2RwFEKIjG3ABVh0dDTs7e0RFRUFOzs7ucsheqfw2CTsuRaCPddC8PR1fIbbYxNT8SouGb7O1tjwRS242lnIUCURaS0tDbh3D/jgA7kr0UpefYay5YTIQJ17FIHuy84iOU35zu1szE2woHsVBhMiQxUXBzx/DpQu/WadsXG+CyZ5ieGEyEBdeRaF5DQl3O0s0LuuD6oVd0Rm3Ub8nG3gaG2W9wUS0fvFxgItWwI3bwKHDwPly8tdUb7AcEJk4Gr4OuGrhiXkLoOItBUbC3z8MXD8uLTcoQNw/brUakLvxHBCZECEEFAKIE0psPe/2VttzHmYEuU7MTFSMDlxQlp2cAB++43BJJv4rkdkIF5EJuCLX8+phwQDgLWZMfrV95WxKiLSWkwM8NFHwMmT0rKjozR0uGpVeevKRxhOiAzAi8gEdFt2Bo9fvRmRY21mjBmd/OHnYiNjZUSklehoKZicOiUtOzlJwaRKFXnrymcYTohkcvxuGPZck07dHLsbhqcRCSjmZIWVvWvA2cYMFqbGvN4NUX4SFQW0aAGcOSMtOzkBBw8ClSvLWlZ+xHBCJJMxW6/i2esE9XIxJyv88UUteDpYylgVEekkOVkzmBQpIgUTf39568qnGE6IZJKYkgYA+LRWMXg7WqFdVU+42nKuEqJ8ycwMaNdOCifOzlIwqVRJ7qryLYYTIpn1rOWDD9xt5S6DiHJq1CjAwgJo3BioWFHuavI1hhMiIiJdCAG8fR2rwYPlqaWAMZK7AKLCKDw2CdEJqQAAMxMehkT5zuvXQL16wO7dcldSIPFdkSiPRSWk4PtdN5CcpoS/lz18iljJXRIRaSMiAmjWTBou3K6ddGVh0iue1iHKI0IIrDz5CNN230SqUroY+NBmpaF4u1mYiAzXq1dSMLl0SVp2dASKFZO1pIKI4YQoDySnKjFh+zWs//cpAMDC1AhNyrii0QcuMldGRNn2djBxd5cu5lemjKxlFUQMJ0S5LCIuGV//dh5nH0bASAGM/bgsPqvnyxYTovwkPFwKJpcvS8sMJrmK4YQol8QlpeJ+WCwGrruIJxHxsDE3wfxuVdC4jKvcpRGRNsLCgKZNgatXpeWiRaVg8sEH8tZVgDGcEOWCU/fD0WvFP+q+Jd5OllgRVAOl3TifCVG+8nYw8fCQgknp0vLWVcAxnBDpmRAC0/++pQ4mDUu7YHaXynCyNpO5MiLS2uXLwK1b0u+enlIwKVVK3poKAYYTIj07cjsMl59FwdLUGMe/bQxnG3O5SyIiXTVrBmzeDAwdCuzbB5QsKXdFhQLnOSHSs4O3QgEAnap7MZgQFQSffALcvMlgkocYToj0LO2/0zmutgwmRPlOSAiwalXG9eY8nvMST+sQ6ZEQAs8jEwGAQ4WJ8pvgYKBJE6mPSVSUdCqHZMGWEyI92nTuGY7dCYOxkQINSnGCNaJ8IzhYupqwqvPrnDlATIysJRVmDCdEevT7P08AAEOalkJFL3uZqyGibHnxAmjUCLh9W1ouXhw4cgSw5dB/uTCcEOlRcqoSAFClmIO8hRBR9jx/LgWTO3ekZR8f4OhR6V+SDcMJEREVTs+eScHk7l1p2ddXajEpXlzOqggMJ0REVBg9fSoFk3v3pGU/PwYTA8LROkQ5JITA6fuvsOHcU9wMjpa7HCJ6HyGAzp2B+/el5RIlpJlfvb3lrYvUGE6IdBQem4Qt55/hj3+e4NGreI3bitpbyFQVEb2XQgEsXixdM8fRUQomXl5yV0XpMJwQaencowisOvUI+66HICVNmnDNxtwEbat4oH4pFxRzskJJV/byJzJo/v7AoUNAkSLSNXPIoDCcEGVTTGIKpu6+hT/+Gy4MAP7eDuhe0xutKnnA2pyHE5HBCg0FXFwAo3RdLStVkq8eeie+mxK9x9OIeOy+Goy1px/jeWQCAKBTNS/0ruuD8h6cy4TI4D16JHV+bdoUWLZMM6CQQWI4IXpLeGwSIuKScfjWS+y+GozLz6LUt3k7WeLnDv6oXaKIjBUSUbY9fCgFkydPgJUrpU6vkybJXRW9B8MJUToLD9/DzH238d+1+wAARgogwLcIPq5UFB2qesLKjIcNUb7w4IEUTJ4+lZbLlAG++krWkih7+C5L9J/jd8Pwv323IQRgZWYMfy8HfFypKFqUd4cLrzBMlL/cvy9dK0cVTMqWlUbluLnJWxdlC8MJEaS5SqbsvAEhgO4BxTC1XUW5SyIiXd27JwWTZ8+k5XLlpJE5DCb5BnsFEQG48iwKd1/GwtzECKM/KiN3OUSkq7t3pVM5qmBSvjxbTPIhhhMiAJvPS29kLSq4w87CVOZqiEgnqmDy/Lm0XKGC1GLi6iprWaQ9hhMq9J69jsefF6U3s47VOEskUb5lZwc4OEi/V6zIYJKPMZxQoZacqsTAdRcRk5QKf28H1CnhLHdJRKQrNzcpkHTuDBw8KE26RvkSO8RSoTZj7y1cehoJOwsTLOhWBcZGCrlLIqKccHMDNmyQuwrKIbacUKF14clrLDv+EAAwo5M/vJ2sZK6IiLRy86bUShIbK3clpGdsOaFC62ZwNACgfilnBJZ3l7kaItLKjRvScOGXL6Wfv/4CrK3lror0hC0nVOhZmRnLXQIRaeP69TfBBABiYoDkZHlrIr1iOCEiovzj2jXNYFKtGnDgAODoKG9dpFcMJ0RElD9cvQo0aQKEhUnL1aszmBRQDCdUaEXGpwAAFOAIHSKDd+WKZjCpUQPYv//NvCZUoDCcUKH0MjoRS47eBwDU8nOSuRoieqfLl6VgEh4uLQcEMJgUcAwnVChN3HEd0YmpqOhpj09rFZe7HCJ6lxkzgFevpN9r1QL27gXs7eWtiXIVhxJTobPnWgj+vhYCYyMFpneoBBNjZnQig7Z8uRROoqKAPXukaeqpQGM4oUIlKiEFE7ZfAwB82cAP5Tz4Jkdk8CwsgG3bpOHCDCaFAr8yUqGhVAp8v+sGXsYkwc/ZGoOblpK7JCLKzIULwJMnmussLBhMChHZw8nChQvh4+MDCwsLBAQE4J9//nnn9nPmzMEHH3wAS0tLeHt7Y9iwYUhMTMyjaim/ik9ORY/lZ7H5/DMAwLT2FWFhysnXiAzOuXNA06bSXCZPn8pdDclE1nCyYcMGDB8+HBMnTsSFCxfg7++PwMBAvFRNrvOWdevWYfTo0Zg4cSJu3ryJFStWYMOGDRg7dmweV075zaqTj3D6wStYmRljeoeKCPArIndJRPS2f/8FmjUDIiOBBw+A776TuyKSiazhZNasWejXrx/69OmDcuXKYfHixbCyssLKlSsz3f7UqVOoW7cuunfvDh8fHzRv3hzdunV7b2sLFW6xSalYdvwBAODHdhXQpUYxmSsiogz++UcKJlFR0nKDBsDChfLWRLKRLZwkJyfj/PnzaNas2ZtijIzQrFkznD59OtP71KlTB+fPn1eHkQcPHmD37t34+OOPs3ycpKQkREdHa/xQ4bLm1CNExqfAz9kan/h7yl0OEb3t7Fngww8B1ftzo0bA7t2AjY2sZZF8ZButEx4ejrS0NLi5uWmsd3Nzw61btzK9T/fu3REeHo569epBCIHU1FR89dVX7zytM23aNEyePFmvtVP+kb7VZHDTUjA24mywRAbl9GkgMFC6eB8g9TXZuZNXGC7kZO8Qq40jR45g6tSp+OWXX3DhwgVs3boVf/31F77//vss7zNmzBhERUWpf56yg1WhkZiShh923VC3mrT295C7JCJK79QpzWDSpAmwaxeDCcnXcuLs7AxjY2OEhoZqrA8NDYW7u3um9xk/fjx69uyJzz//HABQsWJFxMXF4YsvvsC4ceNgZJQxa5mbm8Pc3Fz/fwAZtMtPIzFi02XcfRkLABgR+AFbTYgMyYMHUjCJlY5RNGsGbN8OWFnJWxcZBNlaTszMzFCtWjUcPHhQvU6pVOLgwYOoXbt2pveJj4/PEECMjaXhoEKI3CuW8pX45FR0WXoad1/GwtnGHEt6VsPHFYvKXRYRpefrC3z2mfT7hx8CO3YwmJCazi0nT548wePHjxEfHw8XFxeUL19e6xaK4cOHIygoCNWrV0fNmjUxZ84cxMXFoU+fPgCAXr16wdPTE9OmTQMAtG7dGrNmzUKVKlUQEBCAe/fuYfz48WjdurU6pBDFJqUiMUUJhQI4MLwBHKzM5C6JiN6mUACzZwNlywK9egGWlnJXRAZEq3Dy6NEjLFq0COvXr8ezZ880WivMzMxQv359fPHFF+jQoUOmp1je1qVLF4SFhWHChAkICQlB5cqVsWfPHnUn2SdPnmjs57vvvoNCocB3332H58+fw8XFBa1bt8aPP/6ozZ9BBZxSKf2rABhMiAxJYqI006uKQgF8+aV89ZDBUohsng8ZPHgw1qxZg8DAQLRu3Ro1a9aEh4cHLC0tERERgWvXruH48eNYv349jI2NsWrVKtSoUSO369dadHQ07O3tERUVBTtOhVwgjd12FevOPoGXoyVOfNtE7nKICACOHgW6dZOukRMQIHc1pKO8+gzNdsuJtbU1Hjx4gCJFMs6s6erqiiZNmqBJkyaYOHEi9uzZg6dPnxpkOKGCbcflF1h39gkUCmBqu4pyl0NEAHDkCNCyJRAfDzRvLo3SKV9e7qrIgGU7nKj6fWRHixYtdCqGKCeuPY/CmC1XAAADG5dEg9IuMldERDh0CGjVCkhIkJbr1wdKlpS3JjJ4sg0lJtKHNKXAz3tv4ejtMNwPi0VKmkCArxOG8IrDRPI7eBBo3fpNMGnVCti8GeD0DvQeeh1KfPPmTfj5+elzl0RZSlMKfLPxEpYcfYBbITFISRNoXs4Niz6tBhPjfDW/IFHBc+CAZotJ69YMJpRtem05SU5OxuPHj/W5S6IM4pNTsf9GKPZeD8HuqyEwMVJg4iflUcXbAeU97KBQcLI1Ilnt3w988ok0OgcA2rQBNm4EzDh6jrJHq3AyfPjwd94eFhaWo2KIsmP58YeYtf8OAMDESIH53argI06yRmQY9u2TgklSkrTcti2wYQODCWlFq3Ayd+5cVK5cOcvhQ7GqaYiJctGr2CT176v61ED9Uuz4SmQwnj9/E0zatQPWr2cwIa1pFU5KliyJYcOG4dNPP8309kuXLqFatWp6KYzofQY1KclgQmRo+vQB0tKAvXuBdesAU1O5K6J8SKteg9WrV8f58+ezvF2hUPAaN5SrgqMScO7xa7nLIKJ3+fxzqY8JgwnpSKuWk5kzZyIpKSnL2/39/aFUzR1OpGdKpcDna87h+otomJsYoV5JZ7lLIqJdu4DoaKB7d8317JhOOaBVOHF3d8+tOojea9+NUFx/EQ0bcxNsH1gXJVxs5C6JqHDbuRPo0EE6jaNQSNPTE+kBJ4OgfEEIgbkH7wIAetfxYTAhktuOHVIwSUmRrrb5119yV0QFCMMJ5QuXnkbiZnA0LEyN8Fk9X7nLISrctm8HOnaUggkgtZisXi1rSVSwMJxQvrD5/DMAwEcVisLRmsMSiWSzbZtmMOnRA1i7FjDh1VBIf/hqIoP2KjYJU3bdwPZLLwAAHat5yVwRUSG2dSvQpQuQmiotf/qp1GJibCxrWVTwsOWEDNre66HqYFLMyQq1/YrIXBFRIbVli2Yw6dmTwYRyjc7h5NixYzh37pzGunPnzuHYsWM5LopIJTXd0PTfPw+AkRGHJxLluchI4LPP3gSToCBg1SoGE8o1OoeTRo0aoVevXhrrevbsicaNG+e4KKK3fVzRHd5OVnKXQVQ4OThInWCtrKQZYFesYDChXKVzn5OHDx/C9K3Z/w4ePIgUVScpIh28jEnEhceRuPjkNZ69TsCjV3Fyl0REANCwIfDPP0DZsoARewRQ7tI5nBQvXjzDOg8PjxwVQ4XXrZBo9P/tAh6EZx5GHK04QocoT125AlSsqDnTa/ny8tVDhQpH65BBOHTrJR6Ex0GhAD5ws0WVYo4o7WYDYyMFzIyN0KICZycmyjPr1kkdXseMAb7/nlPRU57LdjhxdHSEIpsv0IiICJ0LosJJdb3ITtW88HNHf3mLISrMfv8d6NVLmvX1xx+BmjWBTz6RuyoqZLIdTubMmZOLZVBhFxGXDAAwMea5bCLZ/Por0Lu3FEwA4KuvgFatZC2JCqdsh5OgoKDcrIMKscSUNGy9IM0A26AUrzRMJIu1a6VgomrG7N8fWLCAp3RIFjp/Tb1//z6+++47dOvWDS9fvgQA/P3337h+/breiqPCYcflF3gdnwJPB0s0K+smdzlEhc+aNZrBZMAABhOSlU7h5OjRo6hYsSLOnj2LrVu3IjY2FgBw+fJlTJw4Ua8FUsEmhMCaU48AAD1rF+dpHaK8tmqVNHeJKpgMGgTMn89gQrLS6ZNg9OjR+OGHH7B//36Ymb0Z4tmkSROcOXNGb8VRwXfu8WtcfyFdbbhrDW+5yyEqXNatk2Z+VQWTIUOAuXMZTEh2OoWTq1evol27dhnWu7q6Ijw8PMdFUeGx+r9Wk3ZVPOHAuUyI8lZAAODpKf0+dCgwezaDCRkEncKJg4MDgoODM6y/ePEiPFUvdKJsOPdIGnbepjJfN0R5rkQJ4PBhaS6TWbMYTMhg6BROunbtim+//RYhISFQKBRQKpU4efIkRowYkeF6O0RZCY9NwsuYJACAn7O1zNUQFRKqUzgqJUsC333HYEIGRadwMnXqVJQpUwbe3t6IjY1FuXLl0KBBA9SpUwffffedvmukAurwrZcQAijvYQdXOwu5yyEq+BYtAjp1AngNNDJwOk1fb2ZmhmXLlmH8+PG4du0aYmNjUaVKFZQqVUrf9VEBdvCmNAS9KYcPE+W+X36RhggDQNeuwMaNvLIwGawcXVunWLFi8PaWRlhkd2p7IkCaEfb43TAAQLOyrjJXQ1TALVggDRFW+eADXlmYDJrOr84VK1agQoUKsLCwgIWFBSpUqIDly5frszYqoOKTU9Fn9b+IS06Dn7M1KnjYy10SUcE1f75mMBk7VrpmDr9QkgHTqeVkwoQJmDVrFgYNGoTatWsDAE6fPo1hw4bhyZMnmDJlil6LpIIjJU2JAb9fwOWnkXCwMsXSXtVhZMQ3SaJcMXeuNERY5bvvgClTGEzI4CmEeLvr9vu5uLhg3rx56Natm8b6P/74A4MGDTLouU6io6Nhb2+PqKgo2NnZyV1OoSKEwMjNV7D5/DNYmBrh989roVpxR7nLIiqYZs8Ghg9/szx+PDB5MoMJ5UhefYbq1HKSkpKC6tWrZ1hfrVo1pKam5rgoKliEEBi77Sr233iJ8NgkGBspsLB7VQYTotwyaxbwzTdvlidOBCZNkq0cIm3p1OekZ8+eWLRoUYb1S5cuRY8ePXJcFBUspx+8wh//PFUHk6ntKnCEDlFuSUmRRuKoTJrEYEL5TrZbToanax5UKBRYvnw59u3bh1q1agEAzp49iydPnnASNlKLT07F1gvPMWH7NQBAg9Iu+F/HSpzThCg3mZoCe/cCzZsDLVsCEybIXRGR1rLd56Rx48bZ26FCgUOHDuWoqNzEPid5425oDPqu+RdPIxIAAGbGRjg2qjHc7RlMiPJEYiJgweON9Mvg+pwcPnw414qggmfa37fwNCIBng6WqFfSGU3KujKYEOWWlSuBNm2AIkXerGMwoXwsR5OwEWXmZXQijt6RJlhb+1lNlHCxkbkiogJs6lRg3DhporUDBwAnJ7krIsoxncPJuXPnsHHjRjx58gTJyckat23dujXHhVH+9eel50hTClQr7shgQpSbfvxRmrsEAC5eBLZvB/r0kbcmIj3QabTO+vXrUadOHdy8eRPbtm1DSkoKrl+/jkOHDsHenrN9Fnb7b4QCANpV8ZS5EqIC7Pvv3wQTAJg+ncGECgydr0o8e/Zs7Ny5E2ZmZpg7dy5u3bqFzp07o1ixYvqukfKZxBQlAMDT0VLmSogKqMmTNUfhzJgBjBolXz1EeqZTOLl//z5atmwJQLpCcVxcHBQKBYYNG4alS5fqtUAiIkrn7XlL/vc/YMQIuaohyhU6hRNHR0fExMQAADw9PXHtmjSPRWRkJOLj4/VXHRERSYSQZnqdPPnNurdngiUqIHTqENugQQPs378fFStWRKdOnTBkyBAcOnQI+/fvR9OmTfVdIxERbdkiXbRPZc4cYMgQ2cohyk06hZMFCxYgMTERADBu3DiYmpri1KlT6NChA75L30GLiIj0o21boGtXYP16YN48YNAguSsiyjU6hROndOPojYyMMHr0aL0VRPnTy+hEPAiPw897buHq8yi5yyEqeExMgF9/BYKCgBYt5K6GKFdlO5xER0dne6ecFr5wWXDoLmbuv4P0F0KwMjNGKVfOcUKkMyGAsDDA1fXNOhMTBhMqFLIdThwcHKBQKN65jRACCoUCaWlpOS6M8od5B+9i1v47AIAi1maoW9IZQ5qVQlF7C1iZcQJiIp0IAYweDaxdCxw+DJQpI3dFRHmK19YhnaUPJt+2KIOvG5WQuSKiAkAIac6S//1PWm7aFLh1C7C1lbcuojyU7XDSsGHD3KyD8hkGE6JcIIQ0Z8msWW/WTZzIYEKFDtvdKVtiElNw+v4rKIXAhSeRWHrsAQAGEyK9EUKas2T27Dfrli4F+vWTryYimTCc0HsJIfD1bxdw4l64xnoGEyI9EQIYNgyYO1daViiAZcuAzz6Tty4imTCc0HvtuhKME/fCYWZihEqe9jAyUqB9FU90rcnrKBHlmBDSZGrz50vLCgWwfDnQt6+8dRHJiOGE3ik2KRU//HUDADCgUUkMaVZK5oqIChAhgMGDgQULpGWFAlixglcXpkJPp2vrAEBqaioOHDiAJUuWqK+z8+LFC8TGxuqtOJLf/IN3ERqdhGJOVviyoZ/c5RAVLAoF4Ob25vdVqxhMiKBjy8njx4/RokULPHnyBElJSfjwww9ha2uL6dOnIykpCYsXL9Z3nSSDPddCsPzEQwDApE/KwcLUWOaKiAog1SU/vL2l2V+JSLeWkyFDhqB69ep4/fo1LC0t1evbtWuHgwcP6q04ks+eayEYuO4C0pQCHat5oUkZN7lLIiq4vvuOwYQoHZ1aTo4fP45Tp07BzMxMY72Pjw+eP3+ul8JIPucfR2DgugtIVQq0qeyB6R0qyV0SUcGgVAJDhwKtWgHNm8tdDZHB0qnlRKlUZjpF/bNnz2DLyYLyvZ2Xg5GqFPD3dsCszpVhbPTuyxYQUTYolcCXX0qjctq0Afbvl7siIoOlUzhp3rw55syZo15WKBSIjY3FxIkT8fHHH+urNpJBYkoa/r4WDADoUbMYgwmRPiiVwBdfSEOEASA5GXj1St6aiAyYTqd1Zs6cicDAQJQrVw6JiYno3r077t69C2dnZ/zxxx/6rpHy0KqTjxAanQQPewu0qeIhdzlE+Z9SCXz+uTQSBwCMjYHffwe6dJG3LiIDplM48fLywuXLl7F+/XpcuXIFsbGx+Oyzz9CjRw+NDrKUfwghMH77Nfx25gkAoH/jkjA34egcohxJS5OCyerV0rKxMfDHH0CnTrKWRWTodAoniYmJsLCwwKeffqrvekgGiSlpaDnvOO6HxQEAutUshu6c/ZUoZ9LSpFle166Vlo2NgfXrgY4d5a2LKB/Qqc+Jq6srgoKCsH//fiiVSn3XRHns0as4dTDxdbbG5E/Kw4h9TYh0l5YmTaamCiYmJsCGDQwmRNmkUzhZs2YN4uPj0aZNG3h6emLo0KE4d+6cvmujPGZqrMCB4Q1hZqLzxMFEBADnz0unbwApmGzcCHToIG9NRPmITp9C7dq1w6ZNmxAaGoqpU6fixo0bqFWrFkqXLo0pU6bou0bKI/aWZhydQ6QPNWtKp3AsLYFNm4B27eSuiChfydFXZFtbW/Tp0wf79u3DlStXYG1tjcmTJ+urNiKi/KtDB+DhQ6BtW7krIcp3chROEhMTsXHjRrRt2xZVq1ZFREQERo4cqa/aiIjyh9RUYM+ejOvdeNkHIl3oFE727t2LoKAguLm54euvv4abmxv27duHx48f46efftJ3jUREhis1FejRA/joI2DhQrmrISoQdO5zkpCQgLVr1yIkJARLlixBgwYNdCpg4cKF8PHxgYWFBQICAvDPP/+8c/vIyEgMGDAARYsWhbm5OUqXLo3du3fr9NgEBEclYNiGy3KXQZQ/paQA3btLHV4B4JtvgKdP5a2JqADQaZ6T0NBQvVxDZ8OGDRg+fDgWL16MgIAAzJkzB4GBgbh9+zZcXV0zbJ+cnIwPP/wQrq6u2Lx5Mzw9PfH48WM4ODjkuJbCKDlVia9/u4CbwdEAADc7c5krIspHUlKAbt2ALVukZTMzYOtWwNtb3rqICgCFEEJkZ8Po6GjY2dmpf38X1XbvExAQgBo1amDBggUApAsKent7Y9CgQRg9enSG7RcvXowZM2bg1q1bMDU1zdZjvC06Ohr29vaIiorKdp0F1Q+7bmD5iYewszDB5DblUbeEM1ztLOQui8jwpaQAXbtKYQQAzM2BP/8EWrSQtSyi3JZXn6HZPq3j6OiIly9fAgAcHBzg6OiY4Ue1PjuSk5Nx/vx5NGvW7E0xRkZo1qwZTp8+nel9duzYgdq1a2PAgAFwc3NDhQoVMHXq1EyvkKySlJSE6OhojR8Cdl8NxvITDwEA/+vkj3ZVvBhMiLIjOVm6Lk76YLJ9O4MJkR5l+7TOoUOH4OTkBAA4fPhwjh84PDwcaWlpcHurN7ubmxtu3bqV6X0ePHiAQ4cOoUePHti9ezfu3buH/v37IyUlBRMnTsz0PtOmTePw5nSUSoGpu2+qg8ln9XzRvLy7zFUR5RPJyUDnzlIYAQALC+n35s3lrYuogMl2OGnYsKH6d19fX3h7e0Oh0JywSwiBp7nYGUypVMLV1RVLly6FsbExqlWrhufPn2PGjBlZhpMxY8Zg+PDh6uXo6Gh4F9JzwkqlwOitV7Dx3DMAQLea3vi2RRmZqyLKR774QjOY7NwJpGv9JSL90KlDrK+vL4KDgzN0Wo2IiICvr+87T7OoODs7w9jYGKGhoRrrQ0ND4e6e+Tf5okWLwtTUFMbGb66WW7ZsWYSEhCA5ORlmZmYZ7mNubg5zc3b0TB9MjBTA7C6V0aayp9xlEeUvgwcDO3YAiYlSMGnaVO6KiAoknYYSCyEytJoAQGxsLCwsstdvwczMDNWqVcPBgwfV65RKJQ4ePIjatWtnep+6devi3r17GhcbvHPnDooWLZppMKE39lwPUbeYzOlahcGESBdVqwIHDgC7djGYEOUirVpOVKdHFAoFxo8fDysrK/VtaWlpOHv2LCpXrqzV/oKCglC9enXUrFkTc+bMQVxcHPr06QMA6NWrFzw9PTFt2jQAwNdff40FCxZgyJAhGDRoEO7evYupU6di8ODB2vwZhdKDsFgAQNMyrvjE30PmaojyieRk6cJ9Rum+x1WtKl89RIWEVuHk4sWLAKSWk6tXr2q0VpiZmcHf3x8jRozI9v66dOmCsLAwTJgwASEhIahcuTL27Nmj7iT75MkTGKV7U/D29sbevXsxbNgwVKpUCZ6enhgyZAi+/fZbbf6MQun6C2mUUnUfJ5krIconEhOB9u2B4sWlmV+NeLVuoryS7XlO0uvTpw/mzp2bL+cJKazznNSedhDBUYn4o18t1C5RRO5yiAxbYqJ0JWHV9XKGDwdmzpS3JiIDkFefoTp1iF21apW+66BcFBqdiOCoRBgpgEpe9nKXQ2TYEhKkKwnv2yctW1vzysJEeSzb4aR9+/ZYvXo17Ozs0L59+3duu1U1OREZhEtPIwEApd1sYW2uUx4lKhwSEoA2bYD9+6VlGxvg77+BevXkrYuokMn2J5W9vb16hI69Pb995yeqcFLZ20HWOogMWny8FEwOHJCWbWyk0zp168pbF1EhlO1wkv5UDk/r5C9PI+IBAKXccn6xRqICKT4e+OQTQDW1ga2tFEzq1JG3LqJCSqfu5wkJCYiPj1cvP378GHPmzME+1TlaMkjGGaemIaL4eKB1a81gsncvgwmRjHQKJ23atMHatWsBAJGRkahZsyZmzpyJNm3aYNGiRXotkIgoV8XEAM+fS7/b2UkdYbOYCJKI8oZO4eTChQuoX78+AGDz5s1wd3fH48ePsXbtWsybN0+vBRIR5So3N+DwYaBGDSmY1Kold0VEhZ5OQzfi4+Nhayv1X9i3bx/at28PIyMj1KpVC48fP9ZrgaSbJ6/isfPKC+y+GqyegI2IslC0KHD2LJDJZTmIKO/p1HJSsmRJ/Pnnn3j69Cn27t2L5v9dLvzly5eFamIzQ5SSpsSSo/fRYMZhzNh7Wx1MTI0VKO/JUVZEiIkBRo6U+pqkx2BCZDB0ajmZMGECunfvjmHDhqFJkybqC/Xt27cPVapU0WuBpJ0N/z7FtL9vqZd/al8RdUs6w97KFHYWpjJWRmQAYmKAjz4CTp4ELl6UrjCc7hphRGQYdAonHTt2RL169RAcHAx/f3/1+qZNm6Jdu3Z6K460FxaTpP59Ze/qaFLGTcZqiAxIdLQUTE6dkpYvXAAePgTKl5e3LiLKQOfpQt3d3eHu7o5nz54BALy8vFCzZk29FUbaW3XyIeYevAsA6FmrOIMJkUp0NNCiBXD6tLTs6ChNtsZgQmSQdOpzolQqMWXKFNjb26N48eIoXrw4HBwc8P3330OpVOq7RsqGo3fCMHnnDfVyOQ/2/SECAERFAYGBb4KJk5M0p0nVqvLWRURZ0qnlZNy4cVixYgV++ukn1P1vaucTJ05g0qRJSExMxI8//qjXIund/r4ajK9/vwAA6FTNC8Obl0ZRe0uZqyIyAKpgcvastKwKJpUry1oWEb2bQgghtL2Th4cHFi9ejE8++URj/fbt29G/f388V01oZIDy6nLPeSUsJgk1px6A6n/xyIhG8HG2lrcoIkMQGSkFk3/+kZaLFJGCSbp+ckSknbz6DNXptE5ERATKlCmTYX2ZMmUQERGR46Io++KTU9XB5Kf2FRlMiFS+//5NMHF2Bg4dYjAhyid0Cif+/v5YsGBBhvULFizQGL1DecfazBhdaxaTuwwiw/HDD0CzZoCLizQDbKVKcldERNmkU5+Tn3/+GS1btsSBAwfUc5ycPn0aT58+xe7du/VaIBGRTiwtge3bgWfPgNKl5a6GiLSgU8tJw4YNcefOHbRv3x6RkZGIjIxE+/btcfv2bfU1dyhvxCSmAgCMjDi7JRVyERFvLuCnYmXFYEKUD2ndcvLo0SPs378fycnJ6Nq1KypUqJAbdVE2Hb8bDgCoWsxR5kqIZPTqlXQKJy5OOoXj6Sl3RUSUA1qFk8OHD6NVq1ZISEiQ7mxigpUrV+LTTz/NleLo/Q7eDAUANCvrKnMlRDJRBZNLl6Tl7t2BI0d4rRyifEyr0zrjx4/Hhx9+iOfPn+PVq1fo168fRo0alVu10XtExCXjwpPXAIAmZTkbLBVC4eFA06Zvgom7O7BkCYMJUT6nVTi5du0apk6diqJFi8LR0REzZszAy5cv8erVq9yqj95hybH7UAqgbFE7eDpw0jUqZMLCgCZNgMuXpeWiRaUWk0ymOSCi/EWrcBIdHQ1nZ2f1spWVFSwtLREVFaX3wujdTt4Lx5KjDwAAQ5qWlLkaojwWFia1mFy9Ki17eEjB5IMPZC2LiPRD6w6xe/fuhb29vXpZqVTi4MGDuHbtmnrd2zPHkv5tPPcUANC1hjdaVCgqczVEeejlSymYqN5zPD2lTrClSslbFxHpjdbhJCgoKMO6L7/8Uv27QqFAWlpazqqi97r0NBIA8HFFBhMqRKKipFM5169Ly15eUjApydZDooJEq9M6SqXyvT8MJrkvIi4Zj1/FAwD8vRzkLYYoL9nZAQ0bSr97eUmnchhMiAocnWaIJXld/q/VxM/ZGvZWpvIWQ5SXFApgwQLpIn5BQUCJEnJXRES5INstJ2fOnMn2TuPj43Fd1exKenfxv3BS2dtB1jqI8sTbF05XKIApUxhMiAqwbIeTnj17IjAwEJs2bUJcXFym29y4cQNjx45FiRIlcP78eb0VSZquPosEAPgznFBBFxwM1KkD8P2EqFDJ9mmdGzduYNGiRfjuu+/QvXt3lC5dGh4eHrCwsMDr169x69YtxMbGol27dti3bx8qVqyYm3UXatH/XU/Hzc5C5kqIctGLF0DjxsCdO9IMsAcPAlWryl0VEeWBbIcTU1NTDB48GIMHD8a5c+dw4sQJPH78GAkJCfD398ewYcPQuHFjODk55Wa9RFQYPH8uBZO7d6VlR0epnwkRFQo6dYitXr06qlevru9aiIiAZ8+kYHLvnrTs6yuNyilWTNayiCjvaDWUmIgoVz19CjRq9CaY+PkBR48ymBAVMgwnRGQYVMHk/n1puUQJqcXE21vOqohIBgwnRCS/J0+kYPJAul4USpZkMCEqxBhOiEh+x469CSalSknBxMtL1pKISD45niE2MTERFhYc0ppXhBCISUyRuwwi/fr0UyAmBpgzBzh0SLqYHxEVWjq1nCiVSnz//ffw9PSEjY0NHvz3jWf8+PFYsWKFXgskTStOPMSd0FiYGRuhvIed3OUQ6c/XXwOXLjGYEJFu4eSHH37A6tWr8fPPP8PMzEy9vkKFCli+fLneiqOM5h+SRjGMb1UW3k5WMldDpKOHD4Ht2zOut7TM+1qIyODoFE7Wrl2LpUuXokePHjA2Nlav9/f3x61bt/RWHL0REZeMP/55guj/Tuk0L+8uc0VEOnrwQLqycIcOwObNcldDRAZIpz4nz58/R8lMLlOuVCqRksL+EPp28clrdFl6BsmpSgCArYUJ7C15NWLKh+7flyZYe/pUWv7+e6BtW8CEF0gnojd0ekcoV64cjh8/juLFi2us37x5M6pUqaKXwuiNU/dfITlVCU8HS/SoVQxtK3vCwtT4/XckMiT37knB5NkzablcOWDfPgYTIspAp3eFCRMmICgoCM+fP4dSqcTWrVtx+/ZtrF27Frt27dJ3jYXes9fxAIBO1b3Qv1HGFisig3f3rhRMnj+XlsuXl0bluLrKWxcRGSSd+py0adMGO3fuxIEDB2BtbY0JEybg5s2b2LlzJz788EN911joPXudAADwcmQHWMqH7t6VJlhTBZMKFRhMiOiddG5PrV+/Pvbv36/PWigLb8IJRzJQPnP7ttRiEhwsLVesCBw8CLi4yFsXERk0nVpO/Pz88OrVqwzrIyMj4efnl+Oi6A2lUuA5wwnlRykpQMuWb4JJpUpSiwmDCRG9h07h5NGjR0hLS8uwPikpCc9VTbekF2GxSUhOU8LYSAF3O87ES/mIqSmweDFgYQFUriwFE2dnuasionxAq9M6O3bsUP++d+9e2Nvbq5fT0tJw8OBB+Pj46K04etMZtqi9BUyMeSkkymeaNZNG5JQrBxQpInc1RJRPaBVO2rZtCwBQKBQICgrSuM3U1BQ+Pj6YOXOm3ooj9jehfCYsLONpm/r15amFiPItrb6KK5VKKJVKFCtWDC9fvlQvK5VKJCUl4fbt22jVqlVu1VoocaQO5RvXr0sjcaZMkbsSIsrndBqt8/DhQ33XQVl4HimFEw8HtpyQAbt2DWjSRGo5mTgR8PAAPv9c7qqIKJ/SeShxXFwcjh49iidPniA5OVnjtsGDB+e4MJKkpklT1luYsr8JGairV4GmTaVgAgA1agAdO8pbExHlazqFk4sXL+Ljjz9GfHw84uLi4OTkhPDwcFhZWcHV1ZXhhKiwuHJFCibh4dJyzZrA3r2Ag4OsZRFR/qbT1/Fhw4ahdevWeP36NSwtLXHmzBk8fvwY1apVw//+9z9910hEhujyZelUjiqYBARII3MYTIgoh3QKJ5cuXcI333wDIyMjGBsbIykpCd7e3vj5558xduxYfddIRIbm0iWpxUQ1GWOtWlKLSbrpBYiIdKVTODE1NYWRkXRXV1dXPHnyBABgb2+Pp6pLoRNRwfR2MKldm8GEiPRKpz4nVapUwb///otSpUqhYcOGmDBhAsLDw/Hrr7+iQoUK+q6RiAyJlRVgbi79XqcO8PffgJ2dvDURUYGiU8vJ1KlTUbRoUQDAjz/+CEdHR3z99dcICwvDkiVL9FogERmY0qWBI0ekETl79jCYEJHe6dRyUr16dfXvrq6u2LNnj94Kojfuh8Vi47lncpdBlFHp0sCmTXJXQUQFlF4nz7hw4QJniNWjMVuuqn+3MDGWsRIq1P79F+jXD0hNlbsSIioktA4ne/fuxYgRIzB27Fg8ePAAAHDr1i20bdsWNWrUgFKp1HuRhVVUQgoAoIKnHdpW8ZS5GiqUzp6VLt63fDnQowcDChHlCa1O66xYsQL9+vWDk5MTXr9+jeXLl2PWrFkYNGgQunTpgmvXrqFs2bK5VWuhk/Jf0Bv7UVk4WZvJXA0VOmfOAIGBQHS0tPzyJZCcDJjoPLE0EVG2aNVyMnfuXEyfPh3h4eHYuHEjwsPD8csvv+Dq1atYvHgxg4keXX4aiQdhcTA2UqC4s7Xc5VBhc/o00Lz5m2DSuDGwa5c0UoeIKJdpFU7u37+PTp06AQDat28PExMTzJgxA15eXrlSXGE29+BdAEDbyp7w5EX/KC+dOiW1mMTESMtNmkjBxJohmYjyhlbhJCEhAVb/fXNSKBQwNzdXDykm/XkYHodDt17CSAEMalJS7nKoMDl5UjOYNG0K7NzJFhMiylNanzxevnw5bGxsAACpqalYvXo1nJ2dNbbhhf9yZst5afhww9Iu8OEpHcorJ04AH30ExMZKyx9+CGzfDliy5Y6I8pZCCCGyu7GPjw8UCsW7d6hQqEfxGKLo6GjY29sjKioKdgY4eVSaUqDe9EMIjkrEgu5V0KqSh9wlUWEghHT65sgRabl5c+DPPxlMiEhDXn2GatVy8ujRo1wqg1RO33+F4KhE2FmYoFlZN7nLocJCoQC2bpWGDbu4ANu2MZgQkWw4JtDAbLkgndL5pLIHLEw58RrlIUdH4MABKZRYWMhdDREVYnqdIZZyJiYxBX9fCwYAdKzmLXM1VOCdOQO8fq25ztGRwYSIZMdwYkD23whFYooSJV1t4O/Fy89TLjp0SOpjEhgIREbKXQ0RkQaGEwMSFpMEAKjkZf/ejsdEOjt4EGjVCkhIkK6b89NPcldERKTBIMLJwoUL4ePjAwsLCwQEBOCff/7J1v3Wr18PhUKBtm3b5m6BeUwBBhPKJQcOvAkmANC6NTB5srw1ERG9Redwcv/+fXz33Xfo1q0bXr58CQD4+++/cf36da32s2HDBgwfPhwTJ07EhQsX4O/vj8DAQPU+s/Lo0SOMGDEC9evX1/VPICpc9u+XwkhiorTcpg2weTNgbi5vXUREb9EpnBw9ehQVK1bE2bNnsXXrVsT+N2nT5cuXMXHiRK32NWvWLPTr1w99+vRBuXLlsHjxYlhZWWHlypVZ3ictLQ09evTA5MmT4efnp8ufYJDSsj/lDJF29u7VDCZt2wIbNwJmvKAkERkencLJ6NGj8cMPP2D//v0wS/fm1qRJE5w5cybb+0lOTsb58+fRrFmzNwUZGaFZs2Y4ffp0lvebMmUKXF1d8dlnn733MZKSkhAdHa3xY6guPYkEABRz4lThpEd79kitJElSnya0awds2MBgQkQGS6dwcvXqVbRr1y7DeldXV4SHh2d7P+Hh4UhLS4Obm+ZkY25ubggJCcn0PidOnMCKFSuwbNmybD3GtGnTYG9vr/7x9jbMIbqJKWk4fld67pqWdZW5Giowzp2TWklUwaRDBwYTIjJ4OoUTBwcHBAcHZ1h/8eJFeHp65riorMTExKBnz55YtmxZhuv5ZGXMmDGIiopS/zx9+jTX6suJMw9eISElDe52FijvYXjT6lM+5e8vdYAFgI4dgT/+AExN5a2JiOg9dJohtmvXrvj222+xadMmKBQKKJVKnDx5EiNGjECvXr2yvR9nZ2cYGxsjNDRUY31oaCjc3d0zbH///n08evQIrVu3Vq9TKpXSH2Jigtu3b6NEiRIa9zE3N4d5Pujwd/iW1AG4SVlXDiMm/TE1lQLJL78A/fszmBBRvqBTy8nUqVNRpkwZeHt7IzY2FuXKlUODBg1Qp04dfPfdd9nej5mZGapVq4aDBw+q1ymVShw8eBC1a9fOsH2ZMmVw9epVXLp0Sf3zySefoHHjxrh06ZLBnrLJjpf/zXFSxt1W5koo30tO1lw2NQWGDGEwIaJ8Q6eWEzMzMyxbtgzjx4/HtWvXEBsbiypVqqBUqVJa72v48OEICgpC9erVUbNmTcyZMwdxcXHo06cPAKBXr17w9PTEtGnTYGFhgQoVKmjc38HBAQAyrM+v2GZCObJjBzB0KLBvH1CypNzVEBHpRKdwcuLECdSrVw/FihVDsWLFclRAly5dEBYWhgkTJiAkJASVK1fGnj171J1knzx5AiMjg5grjsiwbd8OdOoEpKQAjRoBZ88CudgHjIgot+gUTpo0aQJPT09069YNn376KcqVK5ejIgYOHIiBAwdmetuRI0feed/Vq1fn6LGJCoRt24DOnYHUVGm5USMgk35bRET5gU5NEi9evMA333yDo0ePokKFCqhcuTJmzJiBZ8+e6bs+InqfrVs1g0nPnsCaNYCxsbx1ERHpSKdw4uzsjIEDB+LkyZO4f/8+OnXqhDVr1sDHxwdNmjTRd41ElJUtW4AuXd4Ek169gFWrGEyIKF/LcWcOX19fjB49Gj/99BMqVqyIo0eP6qMuInqfTZs0g0lQELByJYMJEeV7OQonJ0+eRP/+/VG0aFF0794dFSpUwF9//aWv2gqN1DQlrj6PkrsMyk82bgS6dQPS0qTlPn2AFSsYTIioQNCpQ+yYMWOwfv16vHjxAh9++CHmzp2LNm3awMqK14TRVmxSKjouOoVnr/+7hD0nYKPsuHXrTTDp2xdYtgzgqDYiKiB0CifHjh3DyJEj0blz52xPI08ZJacq8e2WK7gVEgNLU2OUdLVBw1IucpdF+cH48dLpnBcvgKVLGUyIqEBRCCGE3EXkpejoaNjb2yMqKgp2dvJdw+ba8yiM2HQZt0JiYGykwIYvaqG6j5Ns9VA+pDp02dpGRHkkrz5Ds91ysmPHDnz00UcwNTXFjh073rntJ598kuPCCrJjd8LQd/W/SFUKOFmbYWq7igwm9G7r1knzlqQfDcdQQkQFVLbDSdu2bRESEgJXV1e0bds2y+0UCgXSVOfCKVP/PIxAqlKgSjEHLOtVHc42hn9hQpLRb79JI3HMzYHdu6UJ1oiICrBsn6hWKpVwdXVV/57VD4NJ9vl7OTCY0LutXSvNXaJUAgkJ0rVziIgKOJ160a1duxZJSUkZ1icnJ2Pt2rU5LoqIIM3y2rv3m74lAwYAM2fKWhIRUV7QKZz06dMHUVEZ5+WIiYlRX02YiHJg1Spp7hJVMBk0CJg/n/1MiKhQ0CmcCCGgyORN8tmzZ7C3t89xUUSF2sqVwGefvQkmgwcDc+cymBBRoaHVPCdVqlSBQqGAQqFA06ZNYWLy5u5paWl4+PAhWrRoofciiQqN5cuBfv3eLA8ZAsyezWBCRIWKVuFENUrn0qVLCAwMhI2Njfo2MzMz+Pj4oEOHDnotkKjQePQI+PrrN8vDhkl9TBhMiKiQ0SqcTJw4EQDg4+ODLl26wMLCIleKKugECtW8d5RdPj7Ar78CPXpIwWTGDAYTIiqUdJq+PigoSN91FBpKpcChW2EAAHd7hjt6S9euwAcfAJUrM5gQUaGV7XDi5OSEO3fuwNnZGY6Ojpl2iFWJiIjQS3EF0b4bobgZHA0bcxN0reEtdzkktxs3gHLlNNdVqSJPLUREBiLb4WT27NmwtbVV//6ucEJZW3nyIQCgdx0fOFiZyVwNyWrBAmkkzuLFwBdfyF0NEZHB4IX/8lBkfDKqfr8fSgEcH9UY3k5Wefr4ZEDmz5eCico//wA1ashXDxFRNuTVZ6hO85xcuHABV69eVS9v374dbdu2xdixY5GcnKy34gqaI7fDoBTAB262DCaF2dy5msFk3DigenX56iEiMjA6hZMvv/wSd+7cAQA8ePAAXbp0gZWVFTZt2oRRo0bptcCC5MDNUABA07KuMldCspk9Gxg69M3y+PHA99+z8ysRUTo6hZM7d+6gcuXKAIBNmzahYcOGWLduHVavXo0tW7bos74C5cwDqaNwkzIMJ4XSrFnA8OFvlidOBKZMYTAhInqLztPXK5VKAMCBAwfw8ccfAwC8vb0RHh6uv+oKmKRU6YrNRXgl4sJn5kzgm2/eLE+aJP0QEVEGOoWT6tWr44cffsCvv/6Ko0ePomXLlgCAhw8fws3NTa8FEuV7c+cCI0a8WZ48WWo1ISKiTOkUTubMmYMLFy5g4MCBGDduHEqWLAkA2Lx5M+rUqaPXAonyvdq1AVWv9ilTgAkT5K2HiMjA6TRDbKVKlTRG66jMmDEDxsbGOS6KqECpWRPYvx84dkyzBYWIiDKlUzhROX/+PG7evAkAKFeuHKpWraqXoojyPSE0O7rWrCn9EBHRe+kUTl6+fIkuXbrg6NGjcHBwAABERkaicePGWL9+PVxcXPRZI1H+8sMPwMuXUl8TjsQhItKaTn1OBg0ahNjYWFy/fh0RERGIiIjAtWvXEB0djcHpJ5ciKmy+/16au2T+fGk+k8I1ATMRkV7o1HKyZ88eHDhwAGXLllWvK1euHBYuXIjmzZvrrTiifGXyZM3hwd7ebDkhItKBTuFEqVTC1NQ0w3pTU1P1/CdEhcqkSVI4Ufnf/zTnNSEiomzT6bROkyZNMGTIELx48UK97vnz5xg2bBiaNm2qt+IKHLbwFzxCSHOWpA8ms2YxmBAR5YBO4WTBggWIjo6Gj48PSpQogRIlSsDX1xfR0dGYP3++vmssECLikhGTlAoAcLDM2OpE+ZAQ0pwlU6a8WTd7NjBsmHw1EREVADqd1vH29saFCxdw8OBB9VDismXLolmzZnotriD55+ErAEBpNxs4WpvJXA3lmBBSx9cff3yz7u2rDRMRkU60DicbNmzAjh07kJycjKZNm2LQoEG5UVeBo7roXy2/IjJXQnoRHQ1s2PBmef58YOBA+eohIipAtDqts2jRInTr1g3nzp3D3bt3MWDAAIwcOTK3aitQzjyQWk4YTgoIe3vg8GGgZElgwQIGEyIiPdIqnCxYsAATJ07E7du3cenSJaxZswa//PJLbtVWYLyMTsStkBgAQE1fJ5mrIb3x8gIuXwYGDJC7EiKiAkWrcPLgwQMEBQWpl7t3747U1FQEBwfrvbCCZNnxBwCAasUd4WxjLnM1pBMhgOXLgYQEzfVWVvLUQ0RUgGkVTpKSkmBtbf3mzkZGMDMzQ8Lbb9ikFhaThF/PPAYADGpSUuZqSCdCSBfs69cPaNcOSEyUuyIiogJN6w6x48ePh1W6b4vJycn48ccfYW9vr143a9Ys/VRXAJx+8AqJKUqUcbdFw9K85lC+I4Q0Z8ns2dLy3r3AwYNAy5by1kVEVIBpFU4aNGiA27dva6yrU6cOHjx4oF5WcLpuDWn/zZjrYmvO5ya/EUKas2TuXGlZoQCWLWMwISLKZVqFkyNHjuRSGUQGRgjpwn3z5knLCoXU56RvX1nLIiIqDHSahI2oQBNCmkxtwQJpWaEAVqwA+vSRty4iokKC4YQoPSGkOUtUQ+QVCmDVKiDdKDUiIspdDCdE6S1YoBlM1qwBevaUtyYiokJGpwv/ERVYffsCDRsCRkbA2rUMJkREMmDLCVF61tbAX38Bx48DLVrIXQ0RUaGkc8vJ8ePH8emnn6J27dp4/vw5AODXX3/FiRMn9FYcUa5TKoGICM111tYMJkREMtIpnGzZsgWBgYGwtLTExYsXkZSUBACIiorC1KlT9VogUa5RKoEvvgDq1gVCQuSuhoiI/qNTOPnhhx+wePFiLFu2DKampur1devWxYULF/RWHFGuUSql6ehXrABu3QKaNwdSU+WuioiIoGOfk9u3b6NBgwYZ1tvb2yMyMjKnNRHlrrQ04PPPgdWrpWVjY2D8eMCEXbCIiAyBTi0n7u7uuHfvXob1J06cgJ+fX46LIso1aWnAZ59pBpP164FOnWQti4iI3tApnPTr1w9DhgzB2bNnoVAo8OLFC/z+++8YMWIEvv76a33XSKQfaWnSLK9r1kjLJibAhg1Ax47y1kVERBp0ascePXo0lEolmjZtivj4eDRo0ADm5uYYMWIEBg0apO8aiXIuLQ3o3Rv47Tdp2cQE2LgRaNdO1rKIiCgjncKJQqHAuHHjMHLkSNy7dw+xsbEoV64cbGxs9F0fUc6lpUnTz//+u7RsYgJs2gS0bStrWURElLkc9QA0MzNDuXLl9FULUe5QKAArK+l3U1MpmLRpI29NRESUJZ3CSePGjaFQKLK8/dChQzoXRKR3RkbA4sVSMGnRAmjdWu6KiIjoHXQKJ5UrV9ZYTklJwaVLl3Dt2jUE8eqtZIiMjICFC+WugoiIskGncDJ79uxM10+aNAmxsbE5Kogox1JSgAEDgP79gbeCNBERGT69XpX4008/xcqVK/W5SyLtpKQA3boBy5YBTZsCly7JXREREWlJr1Ninj59GhYWFvrcJVH2paQAXbsCW7dKy3FxQGiovDUREZHWdAon7du311gWQiA4OBjnzp3D+PHj9VIYkVaSk6Vgsm2btGxuDmzfDgQGylsXERFpTadwYm9vr7FsZGSEDz74AFOmTEHz5s31UhhRtiUnA507S2EEACwspN/5WiQiype0DidpaWno06cPKlasCEdHx9yoiSj7kpOl6+Ls2CEtW1hIv3/4obx1ERGRzrTuEGtsbIzmzZvz6sMkv6Qk6bo4qmBiaQns2sVgQkSUz+k0WqdChQp48OCBvmsh0s7evcDOndLvqmDStKm8NRERUY7pFE5++OEHjBgxArt27UJwcDCio6M1fkgSk5iC3VdD5C6j4PrkE2DOHGlq+r/+Apo0kbsiIiLSA4UQQmR34ylTpuCbb76Bra3tmx2km8ZeCAGFQoG0tDT9VqlH0dHRsLe3R1RUFOzs7HL1sWbuu435h+7BSAH82K4iutUslquPV2g9fw54espdBRFRgZdXn6FadYidPHkyvvrqKxw+fDi36ilQYhJTAQCf1/djMNGHxETgn3+ABg001zOYEBEVKFqFE1UjS8OGDXOlmILK3ESvE/EWTgkJQNu2wKFDwObNvKowEVEBpvWn5ruuRkyUKxISpDCybx+Qmgr06QOwbxMRUYGl9TwnpUuXfm9AiYiI0LkgIg3x8VIwOXBAWraxkYYO53J/ISIiko/W4WTy5MkZZojNqYULF2LGjBkICQmBv78/5s+fj5o1a2a67bJly7B27Vpcu3YNAFCtWjVMnTo1y+3lpEVfY8pMfLw0IufgQWnZ1hbYsweoU0feuoiIKFdpHU66du0KV1dXvRWwYcMGDB8+HIsXL0ZAQADmzJmDwMBA3L59O9PHOXLkCLp164Y6derAwsIC06dPR/PmzXH9+nV4GlDHyLCYJOy+Jg0jdrI2k7mafCguDmjdGlB1vra1leY1qV1b3rqIiCjXaTWU2NjYGMHBwXoNJwEBAahRowYWLFgAAFAqlfD29sagQYMwevTo994/LS0Njo6OWLBgAXr16vXe7fNqGNTwjZew9cJzlHK1wfaBdWFlptcLQBdscXFAq1bAkSPSsp2dFExq1ZK1LCKiwi6vPkO16hCr79MUycnJOH/+PJo1a/amICMjNGvWDKdPn87WPuLj45GSkgInJ6dMb09KSpJlkrgHYXEAgGEflmYw0YYQ0pT06YPJvn0MJkREhYhW4USpVOq11SQ8PBxpaWlwc3PTWO/m5oaQkOzNrPrtt9/Cw8NDI+CkN23aNNjb26t/vL29c1y3NsyMOYxYKwoFMGQIYG4O2NsD+/cDAQFyV0VERHkoX39y/vTTT1i/fj22bdsGCwuLTLcZM2YMoqKi1D9Pnz7N9bqUSoHw2KRcf5wCq0UL4M8/pWBigB2diYgod8l6vsHZ2RnGxsYIDQ3VWB8aGgp3d/d33vd///sffvrpJxw4cACVKlXKcjtzc3OYm5vrpd7s6rL0NJ69TsjTx8zXkpMBs7c6DbdoIU8tREQkO1lbTszMzFCtWjUcVA0VhXTq6ODBg6j9jlEZP//8M77//nvs2bMH1atXz4tStXLu8WsA0imdSl76HXZd4MTESBfs++knuSshIiIDIXtPzeHDhyMoKAjVq1dHzZo1MWfOHMTFxaFPnz4AgF69esHT0xPTpk0DAEyfPh0TJkzAunXr4OPjo+6bYmNjAxsbG9n+jsycHN0ELrZ522qTr0RHAx99BJw6BZw8CVhaSv1NiIioUJM9nHTp0gVhYWGYMGECQkJCULlyZezZs0fdSfbJkycwMnrTwLNo0SIkJyejY8eOGvuZOHEiJk2alJelU05ERUmnbs6ckZadnABes4mIiKDlPCcFQW6P0RZCwHfMbgDAv+OaseUkM1FRQGAgcPastFykiDQLrL+/vHUREdE7GeQ8J/R+119I86hYmRnD3tJU5moMUGQk0Lw5gwkREWVJ9tM6Bc2Bm9LIo3olnWFmwuynQRVM/v1XWnZ2loLJO0ZbERFR4cNwomeHbr0EADQr6/aeLQuZ16+lYHLunLTs7AwcOgRUrChvXUREZHD41V6PXsYk4sqzKABA4zL6m0m3QAgLA1QT4Lm4SBf0YzAhIqJMMJzoUUhUIgCgqL0FO8K+rXTpNy0lhw8DFSrIXRERERkontbJBUYKhdwlGKZy5YBLlwAjZmIiIsoaPyUod7x6BUyYAKSlaa5nMCEiovdgywnpX3g40KwZcPky8OABsGYNYGwsd1VERJRP8Gss6Vd4ONC0qRRMAKmfyYsX8tZERET5CsMJ6U9YmHQRvytXpGUPD+DIEcDbW9ayiIgof2E4If14+VIKJlevSsuenlIwKV1a1rKIiCj/YZ8TyrnQUCmY3LghLXt5ScOFS5aUty4iIsqXGE4oZ0JCpGBy86a07OUltZiUKCFrWURElH/xtA7lzNChb4KJtzeDCRER5RhbTihnFiyQwklkpHQqx89P7oqIiCifYzihnFFdWTg2FvDxkbsaIiIqABhOSDvBwYCVFWBv/2ads7P0Q0REpAfsc0LZ9/w50LAh0KIFEB0tdzVERFRAMZxQ9jx7BjRqBNy9C5w5A3z1ldwVERFRAcVwokchUYlyl5A7nj6Vgsm9e9Kynx/w00+ylkRERAUX+5zoyfnHEfj69wsAAA8HC5mr0SNVMHnwQFouUUIalcMp6YmIKJew5URPrr+IRppSoIy7LRZ/Wk3ucvTjyRPNYFKyJK+VQ0REuY7hRM/8XKxRxMZc7jJy7vFjzWBSqpQUTLy85KyKiIgKAZ7WoYxevJCCyaNH0nKpUtKpHE9POasiIqJCgi0nlJGzM+DvL/1eurTUYsJgQkREeYThhDIyMwM2bgSGDJGCiYeH3BUREVEhwtM6JBECUCjeLJuZAXPmyFYOEREVXmw5IeD+faB+feDhQ7krISIiYjgp9O7dkzq/njwp/cuAQkREMmM4Kczu3pUCybNn0rKtLWBtLWtJREREDCeFlSqYPH8uLVeoABw6BLi6yloWERERw0lhdPu2dHXhFy+k5YoVGUyIiMhgMJwUNrdvA40bA8HB0nKlSlIwcXGRty4iIqL/MJwUJrduSadyVMHE3x84eFCadI2IiMhAMJwUJtu2ASEh0u+VKzOYEBGRQeIkbIXJ6NFAVBSwbx9w4ADg5CR3RURERBmw5aQwUSiAadOA48cZTIiIyGAxnBRk165JQSQ9hYJzmRARkUFjOCmorl6VRuV89BFw4oTc1RAREWUbw0lBdOUK0KQJEB4OxMUBEydKF/YjIiLKBxhOCprLl98EEwCoWRPYulXzisNEREQGjOGkILl0SQomr15JywEB0sgce3tZyyIiItIGw0lBcfEi0LQpEBEhLdeuzWBCRET5EsNJQXDhgmYwqVMH2LMHsLOTty4iIiIdcBK2/C4qCggMBF6/lpbr1gX+/huwtZW3LiICAKSlpSElJUXuMoiyzczMDEZG8rZdMJzkd/b2wKxZQFCQFEx272YwITIAQgiEhIQgMjJS7lKItGJkZARfX1+YmZnJVgPDSUHQsydQpAjQoAFgYyN3NUQEqIOJq6srrKysoOCIOcoHlEolXrx4geDgYBQrVky21y3DSX4UEZFx+vmPP5anFiLKIC0tTR1MihQpInc5RFpxcXHBixcvkJqaClNTU1lqYIfY/ObMGaBECWDVKrkrIaIsqPqYWFlZyVwJkfZUp3PS0tJkq4HhJD85fRpo3hyIjAQ++0zqX0JEBouncig/MoTXLcNJfnHqlDQqJyZGWm7cGGjUSNaSiIiIcgPDSX5w8qRmMGnWDNi5E2CTMREVcCtWrEDz5s3lLqPACA8Ph6urK549eyZ3Ke/EcKInKWnShfWM9N0cduIE0KIFEBsrLX/4IbBjB4MJEeWK3r17Q6FQQKFQwNTUFL6+vhg1ahQSExMzbLtr1y40bNgQtra2sLKyQo0aNbB69epM97tlyxY0atQI9vb2sLGxQaVKlTBlyhREqCaPzERiYiLGjx+PiRMnZrjt2bNnMDMzQ4UKFTLc9ujRIygUCly6dCnDbY0aNcLQoUM11l28eBGdOnWCm5sbLCwsUKpUKfTr1w937tzJsracEkJgwoQJKFq0KCwtLdGsWTPcvXv3nfdJS0vD+PHj4evrC0tLS5QoUQLff/89RLoLu6r+797+mTFjBgDA2dkZvXr1yvQ5NSQMJ3ryMkY6cF1szfW30+PHNYNJ8+bA9u2ApaX+HoOI6C0tWrRAcHAwHjx4gNmzZ2PJkiUZPszmz5+PNm3aoG7dujh79iyuXLmCrl274quvvsKIESM0th03bhy6dOmCGjVq4O+//8a1a9cwc+ZMXL58Gb/++muWdWzevBl2dnaoW7duhttWr16Nzp07Izo6GmfPntX5b921axdq1aqFpKQk/P7777h58yZ+++032NvbY/z48Trv931+/vlnzJs3D4sXL8bZs2dhbW2NwMDATEOgyvTp07Fo0SIsWLAAN2/exPTp0/Hzzz9j/vz56m2Cg4M1flauXAmFQoEOHTqot+nTpw9+//33dwZD2YlCJioqSgAQUVFRet3vkD8uiOLf7hKLj9zTzw6PHhXC2loIQPoJDBQiIUE/+yaiXJWQkCBu3LghEtIds0qlUsQlpcjyo1Qqs117UFCQaNOmjca69u3biypVqqiXnzx5IkxNTcXw4cMz3H/evHkCgDhz5owQQoizZ88KAGLOnDmZPt7r16+zrKVly5ZixIgRGdYrlUrh5+cn9uzZI7799lvRr18/jdsfPnwoAIiLFy9muG/Dhg3FkCFDhBBCxMXFCWdnZ9G2bVuta8sJpVIp3N3dxYwZM9TrIiMjhbm5ufjjjz+yvF/Lli1F3759Nda1b99e9OjRI8v7tGnTRjRp0iTDel9fX7F8+fJM75PZ61cltz5D38Z5TvQkOEpKu+72FvrZoakpoJo+uEULYNs2wEJP+yaiPJeQkoZyE/bK8tg3pgTCyky3t/tr167h1KlTKF68uHrd5s2bkZKSkqGFBAC+/PJLjB07Fn/88QcCAgLw+++/w8bGBv379890/w4ODlk+9okTJ9CzZ88M6w8fPoz4+Hg0a9YMnp6eqFOnDmbPng1ra2ut/ra9e/ciPDwco0aN0rq2r776Cr/99ts79x+ravV+y8OHDxESEoJmzZqp19nb2yMgIACnT59G165dM71fnTp1sHTpUty5cwelS5fG5cuXceLECcyaNSvT7UNDQ/HXX39hzZo1GW6rWbMmjh8/js8+++ydf4NcGE70JDT6v3Bip6cAUbu2dPG+efOA1asZTIgoz+zatQs2NjZITU1FUlISjIyMsGDBAvXtd+7cgb29PYoWLZrhvmZmZvDz81P317h79y78/Py0nswrMjISUVFR8PDwyHDbihUr0LVrVxgbG6NChQrw8/PDpk2b0Lt3b60eQ9XHo0yZMlrdDwCmTJmSaTjLjpCQEACAm5ubxno3Nzf1bZkZPXo0oqOjUaZMGRgbGyMtLQ0//vgjevToken2a9asga2tLdq3b5/hNg8PD1y8eFGn+vMCw4keCCEQEq3nlhNAurpwnTr62x8RycbS1Bg3pgTK9tjaaNy4MRYtWoS4uDjMnj0bJiYmGn0WtCHSddbURkJCAgDA4q0vZpGRkdi6dStOnDihXvfpp59ixYoVWocTXWsDAFdXV7i6uup8f11s3LgRv//+O9atW4fy5cvj0qVLGDp0KDw8PBAUFJRh+5UrV6JHjx4ZnkMAsLS0RHx8fF6UrROGEz2ISkhBYooSAOCma8vJoUPA/v3A1KmAAUyAQ0T6pVAodD61ktesra1RsmRJANIHnL+/P1asWKE+BVC6dGlERUXhxYsXGVo2kpOTcf/+fTRu3Fi97YkTJ5CSkqJV60mRIkWgUCjwWnXF9f+sW7cOiYmJCAgIUK8TQkCpVKpPd9jZ2QEAoqKiMuw3MjIS9vb26toA4NatW6hdu3a2awNydlrH3d0dgHTaJX3rU2hoKCpXrpzl/kaOHInRo0erT/tUrFgRjx8/xrRp0zKEk+PHj+P27dvYsGFDpvuKiIiAi4vLO+uXE0fr6IGq1cTRyhQWWn5DAQAcOAC0bAn89BMwcqTUBZaIyAAYGRlh7Nix+O6779StGR06dICpqSlmzpyZYfvFixcjLi4O3bp1AwB0794dsbGx+OWXXzLdf1ZXbTYzM0O5cuVw48YNjfUrVqzAN998g0uXLql/Ll++jPr162PlypUAACcnJzg7O+P8+fMa942Ojsa9e/fUoaR58+ZwdnbGzz//rFVtgHRaJ30Nmf1kxdfXF+7u7jh48KBGbWfPnn1nSIqPj4eRkebHtrGxMZRKZYZtV6xYgWrVqsHf3z/TfV27dg1VqlTJ8rFkl6vdbQ1QbvQ0PnQrVBT/dpcInH1U+zvv2yeEhcWbUTlt2giRkqK32ogo771rtIOhy2y0TkpKivD09NQYXTJ79mxhZGQkxo4dK27evCnu3bsnZs6cKczNzcU333yjcf9Ro0YJY2NjMXLkSHHq1Cnx6NEjceDAAdGxY8csR/EIIcTw4cNFhw4d1MsXL14UAMTNmzczbPvLL78Id3d3kfLf++fUqVNFkSJFxG+//Sbu3bsnzp49K1q1aiV8fHxEfHy8+n5//vmnMDU1Fa1btxb79+8XDx8+FP/++68YOXKk6NKli1bPnTZ++ukn4eDgILZv3y6uXLki2rRpI3x9fTVeM02aNBHz589XLwcFBQlPT0+xa9cu8fDhQ7F161bh7OwsRo0apbHvqKgoYWVlJRYtWpTpY8fFxQlLS0tx7NixTG83hNE6DCd68MfZx6L4t7tE75Vntbvj3r1CmJu/CSZt2wqRlKS3uohIHgUtnAghxLRp04SLi4uIjY1Vr9u+fbuoX7++sLa2FhYWFqJatWpi5cqVme53w4YNokGDBsLW1lZYW1uLSpUqiSlTprxzuO7169eFpaWliIyMFEIIMXDgQFGuXLlMtw0ODhZGRkZi+/btQgghUlNTxbx580TFihWFlZWV8PLyEl26dBEPHz7McN9///1XtG/fXri4uAhzc3NRsmRJ8cUXX4i7d+9mWVtOKZVKMX78eOHm5ibMzc1F06ZNxe3btzW2KV68uJg4caJ6OTo6WgwZMkQUK1ZMWFhYCD8/PzFu3DiR9NbnxpIlSzSet7etW7dOfPDBB1nWZgjhRCFE4TqHEB0dDXt7e0RFRanPS+bUnAN3MOfAXXSr6Y1p7Stl70579wJt2gBJSdJyu3bAhg3SEGIiytcSExPx8OFD+Pr6ZtoZkbKvU6dOqFq1KsaMGSN3KQVGrVq1MHjwYHTv3j3T29/1+s2Nz9DMsM+JHqiGEWe7M+zff2sGkw4dGEyIiDIxY8YM2NjYyF1GgREeHo727dur+wQZqvzRddzAJaVKnZGyNVxv926plSQ5WVru2BFYt47BhIgoEz4+Phg0aJDcZRQYzs7OWU46Z0jYcpKXUlOBb755E0w6dWIwISIiegvDSV4yMZFmffXxAbp0YTAhIiLKBE/r5LXixYFTpwAXFymsEBERkQa2nOS2EyfedHxVKVqUwYSIiCgLDCe5ads2oHFjaTTO2wGFiIiIMsVwklu2bgU6d5Y6wf71F7B4sdwVERER5QsMJ7lhy5Y3wQQAevYEBg6UtyYiIqJ8guFE3zZtkkbipKVJy0FBwKpVgLEOFwQkIjJQCoUCf/75p9xlUAFlEOFk4cKF8PHxgYWFBQICAvDPP/+8c/tNmzahTJkysLCwQMWKFbF79+48qvTd/A7/BXTr9iaY9OkDrFjBYEJE+U5ISAgGDRoEPz8/mJubw9vbG61bt9a4ki5RbpE9nGzYsAHDhw/HxIkTceHCBfj7+yMwMBAvX77MdPtTp06hW7du+Oyzz3Dx4kW0bdsWbdu2xbVr1/K4ck2tbh5D0++HvwkmffsCy5czmBBRvvPo0SNUq1YNhw4dwowZM3D16lXs2bMHjRs3xoABA+QujwqDXL2sYDbUrFlTDBgwQL2clpYmPDw8xLRp0zLdvnPnzqJly5Ya6wICAsSXX36ZrcfLjSsqLh6zUKQqjN5cXfjzz4VIS9Pb/okof8nPVyUWQoiPPvpIeHp6alyBWEV1FWEAYtmyZaJt27bC0tJSlCxZUn1FYCGkqwL37dtX+Pj4CAsLC1G6dGkxZ84cjX2proA8Y8YM4e7uLpycnET//v1FcnKyepvExEQxatQo4eXlJczMzESJEiXE8uXL1bdfvXpVtGjRQlhbWwtXV1fx6aefirCwMD0/I4WLIVyVWNaWk+TkZJw/fx7NmjVTrzMyMkKzZs1w+vTpTO9z+vRpje0BIDAwMMvtk5KSEB0drfGjb48+8McFjzLSQr9+wJIlgJHsjVJEZIhmzQK8vN7/88knGe/7ySfZu++sWTqXFxERgT179mDAgAGwtrbOcLuDg4P698mTJ6Nz5864cuUKPv74Y/To0QMREREAAKVSCS8vL2zatAk3btzAhAkTMHbsWGzcuFFjf4cPH8b9+/dx+PBhrFmzBqtXr8bq1avVt/fq1Qt//PEH5s2bh5s3b2LJkiXqCwFGRkaiSZMmqFKlCs6dO4c9e/YgNDQUnTt31vnvJ8Mg60xg4eHhSEtLg5ubm8Z6Nzc33Lp1K9P7hISEZLp9SEhIpttPmzYNkydP1k/BWfDwcsXcb+Zg9NPjqPC/SQwmRJS16Gjg+fP3b+ftnXFdWFj27puDL2H37t2DEAJlypR577a9e/dWX9126tSpmDdvHv755x+0aNECpqamGu+9vr6+OH36NDZu3KgRHhwdHbFgwQIYGxujTJkyaNmyJQ4ePIh+/frhzp072LhxI/bv36/+Uurn56e+74IFC1ClShVMnTpVvW7lypXw9vbGnTt3ULp0aZ2fB5JXgZ+mdMyYMRg+fLh6OTo6Gt6ZHfQ5MKhpKQxqWgrAh3rdLxEVQHZ2gKfn+7dzccl8XXbua2enfV3/EUJke9tKlSqpf7e2toadnZ1Gf8GFCxdi5cqVePLkCRISEpCcnIzKlStr7KN8+fIwTtc3r2jRorh69SoA4NKlSzA2NkbDhg0zffzLly/j8OHD6paU9O7fv89wko/JGk6cnZ1hbGyM0NBQjfWhoaFwd3fP9D7u7u5abW9ubg5zc3P9FExElFPDh0s/utixQ7+1ZKJUqVJQKBRZtl6nZ/rWhUsVCgWUSiUAYP369RgxYgRmzpyJ2rVrw9bWFjNmzMDZs2ezvQ9LS8t3Pn5sbCxat26N6dOnZ7itaNGi762fDJes5x/MzMxQrVo1jaFpSqUSBw8eRO3atTO9T+3atTMMZdu/f3+W2xMRUfY5OTkhMDAQCxcuRFxcXIbbIyMjs7WfkydPok6dOujfvz+qVKmCkiVL4v79+1rVUrFiRSiVShw9ejTT26tWrYrr16/Dx8cHJUuW1PjJrL8M5R+yd44YPnw4li1bhjVr1uDmzZv4+uuvERcXhz59+gCQOkONGTNGvf2QIUOwZ88ezJw5E7du3cKkSZNw7tw5DOQMrEREerFw4UKkpaWhZs2a2LJlC+7evYubN29i3rx52f4iWKpUKZw7dw579+7FnTt3MH78ePz7779a1eHj44OgoCD07dsXf/75Jx4+fIgjR46oO9UOGDAAERER6NatG/7991/cv38fe/fuRZ8+fZCmmtaB8iXZw0mXLl3wv//9DxMmTEDlypVx6dIl7NmzR93p9cmTJwgODlZvX6dOHaxbtw5Lly6Fv78/Nm/ejD///BMVKlSQ608gIipQ/Pz8cOHCBTRu3BjffPMNKlSogA8//BAHDx7EokWLsrWPL7/8Eu3bt0eXLl0QEBCAV69eoX///lrXsmjRInTs2BH9+/dHmTJl0K9fP3WLjoeHB06ePIm0tDQ0b94cFStWxNChQ+Hg4AAjDkzI1xRCm95PBUB0dDTs7e0RFRUFuxx0GiMiykpiYiIePnwIX19fWFhYyF0OkVbe9frNq89QRksiIiIyKAwnREREZFAYToiIiMigMJwQERGRQWE4ISLKJYVsvAEVEIbwumU4ISLSM9Wsp/Hx8TJXQqS95ORkANC4rEBeK/DX1iEiymvGxsZwcHBQX2fGysoKCoVC5qqI3k+pVCIsLAxWVlYwMZEvIjCcEBHlAtX1vtJfCI8oPzAyMkKxYsVkDdQMJ0REuUChUKBo0aJwdXVFSkqK3OUQZZuZmZnsM+wynBAR5SJjY2NZz90T5UfsEEtEREQGheGEiIiIDArDCRERERmUQtfnRDW5THR0tMyVEBER5S+qz87cnqit0IWTmJgYAIC3t7fMlRAREeVPMTExsLe3z7X9K4QhzFObh5RKJV68eAFbW1u9jeGOjo6Gt7c3nj59Cjs7O73ss7Djc6p/fE71i8+n/vE51a/ceD6FEIiJiYGHh0euDjcudC0nRkZG8PLyypV929nZ8YDSMz6n+sfnVL/4fOofn1P90vfzmZstJirsEEtEREQGheGEiIiIDArDiR6Ym5tj4sSJMDc3l7uUAoPPqf7xOdUvPp/6x+dUv/Lz81noOsQSERGRYWPLCRERERkUhhMiIiIyKAwnREREZFAYToiIiMigMJxk08KFC+Hj4wMLCwsEBATgn3/+eef2mzZtQpkyZWBhYYGKFSti9+7deVRp/qHNc7ps2TLUr18fjo6OcHR0RLNmzd77f1DYaPsaVVm/fj0UCgXatm2buwXmQ9o+p5GRkRgwYACKFi0Kc3NzlC5dmsd+Oto+n3PmzMEHH3wAS0tLeHt7Y9iwYUhMTMyjag3fsWPH0Lp1a3h4eEChUODPP/98732OHDmCqlWrwtzcHCVLlsTq1atzvU6dCHqv9evXCzMzM7Fy5Upx/fp10a9fP+Hg4CBCQ0Mz3f7kyZPC2NhY/Pzzz+LGjRviu+++E6ampuLq1at5XLnh0vY57d69u1i4cKG4ePGiuHnzpujdu7ewt7cXz549y+PKDZO2z6fKw4cPhaenp6hfv75o06ZN3hSbT2j7nCYlJYnq1auLjz/+WJw4cUI8fPhQHDlyRFy6dCmPKzdM2j6fv//+uzA3Nxe///67ePjwodi7d68oWrSoGDZsWB5Xbrh2794txo0bJ7Zu3SoAiG3btr1z+wcPHggrKysxfPhwcePGDTF//nxhbGws9uzZkzcFa4HhJBtq1qwpBgwYoF5OS0sTHh4eYtq0aZlu37lzZ9GyZUuNdQEBAeLLL7/M1TrzE22f07elpqYKW1tbsWbNmtwqMV/R5flMTU0VderUEcuXLxdBQUEMJ2/R9jldtGiR8PPzE8nJyXlVYr6i7fM5YMAA0aRJE411w4cPF3Xr1s3VOvOr7ISTUaNGifLly2us6/L/9u4/Kqoy/wP4ewaYYYQBUkR+TRgopK5K+CvG9pA17mCbkamg0AiGsoJI6y5tpBmDLmCbkuapDCsRlxW1rWRDQDRpAc0UGG0FQRCc2h30EP5CwBlmPt8//HKPIwMCKQz6vM6ZP+be58fnPjyX++HeZ5iQEJLL5Q8wsv5hj3XuQavVoqysDDKZjNvG5/Mhk8lw/Phxk3WOHz9uVB4A5HJ5t+UfNf0Z07u1trZCp9Nh+PDhDyrMIaO/47l+/Xo4OTkhMjJyIMIcUvozpjk5OfD398fKlSsxatQo/OY3v0FKSgr0ev1AhW22+jOeUqkUZWVl3KOfCxcu4ODBg3jhhRcGJOaH0VC6Nj1yX/zXV01NTdDr9Rg1apTR9lGjRuHcuXMm6zQ2Npos39jY+MDiHEr6M6Z3e/PNN+Hq6trlRHsU9Wc8S0pK8Nlnn0GlUg1AhENPf8b0woUL+PbbbxEWFoaDBw+itrYWMTEx0Ol0SExMHIiwzVZ/xjM0NBRNTU145plnQETo6OjAihUrsGbNmoEI+aHU3bXp+vXraGtrg0gkGqTIumJ3TpghZ+PGjcjOzsZXX30Fa2vrwQ5nyLlx4wYUCgV27NgBR0fHwQ7noWEwGODk5IT09HRMmTIFISEhWLt2LbZv3z7YoQ1JRUVFSElJwUcffYTy8nJ8+eWXyM3NxYYNGwY7NGYAsDsn9+Do6AgLCwtcunTJaPulS5fg7Oxsso6zs3Ofyj9q+jOmnTZt2oSNGzfi8OHDmDRp0oMMc8jo63jW1dWhoaEBc+fO5bYZDAYAgKWlJaqrq+Hl5fVggzZz/ZmjLi4usLKygoWFBbdt3LhxaGxshFarhUAgeKAxm7P+jOe6deugUCiwbNkyAMDEiRNx8+ZNREVFYe3ateDz2d/WfdXdtcnOzs6s7poA7M7JPQkEAkyZMgVHjhzhthkMBhw5cgT+/v4m6/j7+xuVB4DCwsJuyz9q+jOmAPC3v/0NGzZsQH5+PqZOnToQoQ4JfR3PJ598Ej/++CNUKhX3eumllzBr1iyoVCpIJJKBDN8s9WeOzpw5E7W1tVyiBwA1NTVwcXF5pBMToH/j2dra2iUB6Uz8iH0lXL8MqWvTYK/IHQqys7NJKBRSRkYGVVZWUlRUFDk4OFBjYyMRESkUCkpISODKl5aWkqWlJW3atImqqqooMTGRfZT4Ln0d040bN5JAIKAvvviCNBoN97px48ZgHYJZ6et43o19Wqervo6pWq0msVhMsbGxVF1dTd988w05OTnRX//618E6BLPS1/FMTEwksVhMe/bsoQsXLtChQ4fIy8uLgoODB+sQzM6NGzeooqKCKioqCAClpaVRRUUFXbx4kYiIEhISSKFQcOU7P0r8xhtvUFVVFX344Yfso8RD3bZt2+jxxx8ngUBA06dPp++//57bFxAQQOHh4Ubl9+3bR97e3iQQCGjChAmUm5s7wBGbv76MqYeHBwHo8kpMTBz4wM1UX+fonVhyYlpfx/TYsWM0Y8YMEgqF5OnpScnJydTR0THAUZuvvoynTqcjpVJJXl5eZG1tTRKJhGJiYujKlSsDH7iZOnr0qMnfi53jGB4eTgEBAV3q+Pr6kkAgIE9PT9q5c+eAx90bPCJ2f4xhGIZhGPPB1pwwDMMwDGNWWHLCMAzDMIxZYckJwzAMwzBmhSUnDMMwDMOYFZacMAzDMAxjVlhywjAMwzCMWWHJCcMwDMMwZoUlJwzDMAzDmBWWnDAPrYyMDDg4OAx2GP3G4/Hw9ddf91gmIiICL7/88oDEY27WrVuHqKioAemrqKgIPB4PV69e7bHc6NGjsWXLlgcaS1/7uF/nQW/mY19VVlbC3d0dN2/evK/tMkMfS04YsxYREQEej9flVVtbO9ihISMjg4uHz+fD3d0dS5cuxeXLl+9L+xqNBnPmzAEANDQ0gMfjQaVSGZXZunUrMjIy7kt/3VEqldxxWlhYQCKRICoqCs3NzX1q534mUo2Njdi6dSvWrl1r1H5nnAKBAGPGjMH69evR0dHxq/uTSqXQaDSwt7cH0P0F/+TJkwOWMA0FycnJkEqlGDZsmMnxGj9+PJ5++mmkpaUNfHCMWWPJCWP2AgMDodFojF5PPPHEYIcFALCzs4NGo8HPP/+MHTt2IC8vDwqF4r607ezsDKFQ2GMZe3v7Abk7NGHCBGg0GqjVauzcuRP5+fmIjo5+4P1259NPP4VUKoWHh4fR9s65cv78efz5z3+GUqnEe++996v7EwgEcHZ2Bo/H67HcyJEjMWzYsF/d38NCq9Vi4cKFPc6VpUuX4uOPP74vSSTz8GDJCWP2hEIhnJ2djV4WFhZIS0vDxIkTYWNjA4lEgpiYGLS0tHTbzunTpzFr1iyIxWLY2dlhypQpOHXqFLe/pKQEv/3tbyESiSCRSBAXF3fP2808Hg/Ozs5wdXXFnDlzEBcXh8OHD6OtrQ0GgwHr16+Hu7s7hEIhfH19kZ+fz9XVarWIjY2Fi4sLrK2t4eHhgdTUVKO2O2+jdyZjTz31FHg8Hp599lkAxncj0tPT4erqCoPBYBRjUFAQXnvtNe79gQMH4OfnB2tra3h6eiIpKemeFwZLS0s4OzvDzc0NMpkMCxcuRGFhIbdfr9cjMjISTzzxBEQiEXx8fLB161Zuv1KpxK5du3DgwAHu7kZRUREA4KeffkJwcDAcHBwwfPhwBAUFoaGhocd4srOzMXfu3C7bO+eKh4cHoqOjIZPJkJOTAwC4cuUKlixZgsceewzDhg3DnDlzcP78ea7uxYsXMXfuXDz22GOwsbHBhAkTcPDgQQDGj3WKioqwdOlSXLt2jTsWpVIJwPiRS2hoKEJCQozi0+l0cHR0RGZmJgDAYDAgNTWVG7fJkyfjiy++6PHY79bb8+Drr7/G2LFjYW1tDblcjp9++slof3/mxb0kJSVh9erVmDhxYrdlZs+ejebmZnz33Xe/qi/m4cKSE2bI4vP5+OCDD3D27Fns2rUL3377Lf7yl790Wz4sLAzu7u44efIkysrKkJCQACsrKwBAXV0dAgMDMX/+fJw5cwZ79+5FSUkJYmNj+xSTSCSCwWBAR0cHtm7dis2bN2PTpk04c+YM5HI5XnrpJe6C+MEHHyAnJwf79u1DdXU1srKyMHr0aJPt/vDDDwCAw4cPQ6PR4Msvv+xSZuHChfjll19w9OhRbltzczPy8/MRFhYGACguLsaSJUvw+uuvo7KyEp988gkyMjKQnJzc62NsaGhAQUEBBAIBt81gMMDd3R379+9HZWUl3nnnHaxZswb79u0DAMTHxyM4ONjoLphUKoVOp4NcLodYLEZxcTFKS0tha2uLwMBAaLVak/03NzejsrISU6dOvWesIpGIayciIgKnTp1CTk4Ojh8/DiLCCy+8AJ1OBwBYuXIlbt26hX//+9/48ccf8e6778LW1rZLm1KpFFu2bOHummk0GsTHx3cpFxYWhn/9619GiUJBQQFaW1sxb948AEBqaioyMzOxfft2nD17FqtXr8arr77apwt1b86D1tZWJCcnIzMzE6Wlpbh69SoWLVrE7e/PvHj22WcRERHR6zi7IxAI4Ovri+Li4l/dFvMQGeRvRWaYHoWHh5OFhQXZ2NhwrwULFpgsu3//fhoxYgT3fufOnWRvb8+9F4vFlJGRYbJuZGQkRUVFGW0rLi4mPp9PbW1tJuvc3X5NTQ15e3vT1KlTiYjI1dWVkpOTjepMmzaNYmJiiIho1apV9Nxzz5HBYDDZPgD66quviIiovr6eAFBFRYVRmfDwcAoKCuLeBwUF0Wuvvca9/+STT8jV1ZX0ej0RET3//POUkpJi1Mbu3bvJxcXFZAxERImJicTn88nGxoasra25r2VPS0vrtg4R0cqVK2n+/PndxtrZt4+Pj9EY3Lp1i0QiERUUFJhst6KiggCQWq022n5n+waDgQoLC0koFFJ8fDzV1NQQACotLeXKNzU1kUgkon379hER0cSJE0mpVJrss/Or6a9cuUJEXX/2nTw8POj9998nIiKdTkeOjo6UmZnJ7V+8eDGFhIQQEVF7ezsNGzaMjh07ZtRGZGQkLV682GQcd/dhiqnzAAB9//333LaqqioCQCdOnCCi3s2LO+cjEZFCoaCEhIRu47hTd+PVad68eRQREdGrtphHg+VgJUUM01uzZs3Cxx9/zL23sbEBcPsuQmpqKs6dO4fr16+jo6MD7e3taG1tNfnc/09/+hOWLVuG3bt3c48mvLy8ANx+5HPmzBlkZWVx5YkIBoMB9fX1GDdunMnYrl27BltbWxgMBrS3t+OZZ57Bp59+iuvXr+N///sfZs6caVR+5syZOH36NIDbf8nPnj0bPj4+CAwMxIsvvojf/e53v2qswsLCsHz5cnz00UcQCoXIysrCokWLwOfzueMsLS01+otYr9f3OG4A4OPjg5ycHLS3t+Pvf/87VCoVVq1aZVTmww8/xOeffw61Wo22tjZotVr4+vr2GO/p06dRW1sLsVhstL29vR11dXUm67S1tQEArK2tu+z75ptvYGtrC51OB4PBgNDQUCiVShw5cgSWlpaYMWMGV3bEiBHw8fFBVVUVACAuLg7R0dE4dOgQZDIZ5s+fj0mTJvUYf08sLS0RHByMrKwsKBQK3Lx5EwcOHEB2djYAoLa2Fq2trZg9e7ZRPa1Wi6eeeqrX/fTmPLC0tMS0adO4Ok8++SQcHBxQVVWF6dOn92tedD6auh9EIhFaW1vvW3vM0MeSE8bs2djYYMyYMUbbGhoa8OKLLyI6OhrJyckYPnw4SkpKEBkZCa1Wa/KXqVKpRGhoKHJzc5GXl4fExERkZ2dj3rx5aGlpwR/+8AfExcV1qff44493G5tYLEZ5eTn4fD5cXFwgEokAANevX7/ncfn5+aG+vh55eXk4fPgwgoODIZPJ+rzm4E5z584FESE3NxfTpk1DcXEx3n//fW5/S0sLkpKS8Morr3Spa+pi36nz0y8AsHHjRvz+979HUlISNmzYAOD2GpD4+Hhs3rwZ/v7+EIvFeO+993DixIke421pacGUKVOMksJOI0eONFnH0dERwO01JHeX6UxkBQIBXF1dYWnZ+19xy5Ytg1wuR25uLg4dOoTU1FRs3ry5SxLWF2FhYQgICMDly5dRWFgIkUiEwMBAAOAe9+Tm5sLNzc2o3r0WQnfqz3lgSn/nxf3S3NzM/aHAMABLTpghqqysDAaDAZs3b+buCnSub+iJt7c3vL29sXr1aixevBg7d+7EvHnz4Ofnh8rKyi5J0L3w+XyTdezs7ODq6orS0lIEBARw20tLSzF9+nSjciEhIQgJCcGCBQsQGBiI5uZmDB8+3Ki9zvUder2+x3isra3xyiuvICsrC7W1tfDx8YGfnx+338/PD9XV1X0+zru9/fbbeO655xAdHc0dp1QqRUxMDFfm7jsfAoGgS/x+fn7Yu3cvnJycYGdn16u+vby8YGdnh8rKSnh7exvtM5XIAsC4cePQ0dGBEydOQCqVAgB++eUXVFdXY/z48Vw5iUSCFStWYMWKFXjrrbewY8cOk8mJqWMxRSqVQiKRYO/evcjLy8PChQu5dU7jx4+HUCiEWq02miN90dvzoKOjA6dOneLmXnV1Na5evcrdEbxf86K//vOf/2DBggWD0jdjntiCWGZIGjNmDHQ6HbZt24YLFy5g9+7d2L59e7fl29raEBsbi6KiIly8eBGlpaU4efIk98v5zTffxLFjxxAbGwuVSoXz58/jwIEDfV4Qe6c33ngD7777Lvbu3Yvq6mokJCRApVLh9ddfB3D7UxZ79uzBuXPnUFNTg/3798PZ2dnkR4OdnJwgEomQn5+PS5cu4dq1a932GxYWhtzcXHz++efcQthO77zzDjIzM5GUlISzZ8+iqqoK2dnZePvtt/t0bP7+/pg0aRJSUlIAAGPHjsWpU6dQUFCAmpoarFu3DidPnjSqM3r0aJw5cwbV1dVoamqCTqdDWFgYHB0dERQUhOLiYtTX16OoqAhxcXH4+eefTfbN5/Mhk8lQUlLS63jHjh2LoKAgLF++HCUlJTh9+jReffVVuLm5ISgoCADwxz/+EQUFBaivr0d5eTmOHj3a7eO80aNHo6WlBUeOHEFTU1OPjyRCQ0Oxfft2FBYWGv08xGIx4uPjsXr1auzatQt1dXUoLy/Htm3bsGvXrl4dV2/PAysrK6xatQonTpxAWVkZIiIi8PTTT3PJSn/mxZIlS/DWW2/1GJ9arYZKpYJarYZer4dKpYJKpTJaJNzQ0ID//ve/kMlkvTpm5hEx2IteGKYnphZRdkpLSyMXFxcSiUQkl8spMzOz20WLt27dokWLFpFEIiGBQECurq4UGxtrtNj1hx9+oNmzZ5OtrS3Z2NjQpEmTuixovdO9Fvnp9XpSKpXk5uZGVlZWNHnyZMrLy+P2p6enk6+vL9nY2JCdnR09//zzVF5ezu3HXQsQd+zYQRKJhPh8PgUEBHQ7Pnq9nlxcXAgA1dXVdYkrPz+fpFIpiUQisrOzo+nTp1N6enq3x5GYmEiTJ0/usn3Pnj0kFApJrVZTe3s7RUREkL29PTk4OFB0dDQlJCQY1bt8+TI3vgDo6NGjRESk0WhoyZIl5OjoSEKhkDw9PWn58uV07dq1bmM6ePAgubm5cQt9uxuLOzU3N5NCoSB7e3tuztTU1HD7Y2NjycvLi4RCIY0cOZIUCgU1NTURUdcFsUREK1asoBEjRhAASkxMJCLTi1UrKysJAHl4eHRZ/GwwGGjLli3k4+NDVlZWNHLkSJLL5fTdd991exx399Hb8+Cf//wneXp6klAoJJlMRhcvXjRq917z4u75GBAQQOHh4d3GSXT7Z4L/X0B956vzZ09ElJKSQnK5vMd2mEcPj4hoMJIihmGY/iIizJgxg3s8xwxNWq0WY8eOxT/+8Y8ui8eZRxt7rMMwzJDD4/GQnp7O/qvoEKdWq7FmzRqWmDBdsDsnDMMwDMOYFXbnhGEYhmEYs8KSE4ZhGIZhzApLThiGYRiGMSssOWEYhmEYxqyw5IRhGIZhGLPCkhOGYRiGYcwKS04YhmEYhjErLDlhGIZhGMassOSEYRiGYRiz8n+b/L6nyvKBmwAAAABJRU5ErkJggg==",
-      "text/plain": [
-       "<Figure size 600x600 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "[<Figure size 600x600 with 1 Axes>, <Figure size 600x600 with 1 Axes>]"
-      ]
-     },
-     "execution_count": 35,
-     "metadata": {},
-     "output_type": "execute_result"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "plot.make(save = True, show=True, property_name=\"pchembl_value_Median_class\", validation=\"ind\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 36,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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Hz5x53J49e7LMDl+6dEmxsbFZtvoKDw/Xn3/+qbvuuitPLgwwZ84ceXh4aNGiRXJ3d3eMT506NVeP5+/vL09Pzxzfu7t27cp1zkw38n5xc3NThw4d1KFDB9ntdvXt21efffaZ3njjjRxn8XOrTp06kqRjx445Mi5dulSNGjW65vZyXOkMdxqWFgAWcf/998vZ2VnDhw/PNhtlGIZj26zatWsrLCxMY8eOzbblUub9Mme5/v04Y8eOvSXZT58+ne25IiIiJMmxvOCBBx6QYRgaPnx4tvtn3rddu3Y55sycLWzfvv01szz88MNav369Fi1alO22M2fOKD09/ZqPcfToUX3//feO75OTk/Xll18qIiJCQUFBjnEXFxd16dJF3333naZNm6bq1aurRo0a13z8nLz11lsaOnSo/vOf/1zxmJYtW8rNzU0fffRRltf7888/V1JSkuP1qVOnjvz9/TVhwgSlpaU5jps2bVq298zDDz+sI0eOaNKkSdme7/z580pNTb2hn8PZ2Vk2m00ZGRmOsQMHDmjevHk39Dj/fLw2bdpo3rx5iouLc4z//fffOf4d36jrfb/8e9s6Jycnx9915ns8cy/onLZCy8myZctyHM9cK565dOLhhx9WRkaGRowYke3Y9PT0LM9XqFCh635+wAqYkQUsIjw8XG+99ZYGDx6sAwcOqFOnTipSpIhiY2P1/fff65lnntGLL74oJycnffrpp+rQoYMiIiLUvXt3BQcHa+fOndq+fbsWLVokb29vNWnSRO+++64uXbqkkiVLavHixYqNjb0l2b/44guNHz9e9913n8LDw5WSkqJJkybJ29vbUU6bN2+uJ554Qh999JH27NnjWOKwevVqNW/eXP369VPNmjXVrVs3TZw4UWfOnFHTpk31xx9/6IsvvlCnTp3UvHnza2YZNGiQfvzxR91zzz168sknFRkZqdTUVG3dulWzZ8/WgQMH5Ofnd9XHqFChgp566ilt2LBBgYGBmjJlihISEnKcVezatas++ugjLV++XKNGjcrdC6jL64ybNm161WP8/f01ePBgDR8+XG3bttW9996rXbt2afz48apbt67jJDNXV1e99dZb6tWrl1q0aKHOnTsrNjZWU6dOzbZG9oknntB3332n3r17a/ny5WrUqJEyMjK0c+dOfffdd459eq9X+/btNWbMGLVt21aPPvqojh8/rnHjxqlcuXL666+/bvyFkTR8+HAtXLhQ0dHR6tu3r9LT0/Xxxx+ratWquX7MTNf7fnn66aeVmJioFi1aqFSpUjp48KA+/vhjRUREOH57EBERIWdnZ40aNUpJSUlyd3dXixYtsu0Jm6ljx44KCwtThw4dFB4ertTUVC1dulQ//fST6tatqw4dOki6/N7o1auXRo4cqZiYGLVu3Vqurq7as2ePZs2apQ8//FAPPvigJCkyMlKffvqp3nrrLZUrV04BAQE3vGYbyFfM2SwBwJVkbr914sSJHG+fM2eO0bhxY6NQoUJGoUKFjEqVKhnPPvussWvXrizHrVmzxmjVqpVRpEgRo1ChQkaNGjWybFl0+PBh47777jN8fX0NHx8f46GHHjKOHj1qSDKGDh3qOC4vtt/avHmz0aVLF6N06dKGu7u7ERAQYNxzzz3Gxo0bsxyXnp5uvPfee0alSpUMNzc3w9/f37j77ruNTZs2OY65dOmSMXz4cCMsLMxwdXU1QkJCjMGDBxsXLlzI8lhlypQx2rdvn2OelJQUY/DgwUa5cuUMNzc3w8/Pz2jYsKHx/vvvZ9lrNSeZj7to0SKjRo0ahru7u1GpUiVj1qxZV7xP1apVDScnJ+Pw4cPXeqkMw8i6/dbV5LSPrGFc3m6rUqVKhqurqxEYGGj06dMn21ZshmEY48ePN8LCwgx3d3ejTp06xqpVq3L8u01LSzNGjRplVK1a1XB3dzeKFi1qREZGGsOHDzeSkpIcx13v9luff/65Ub58ecdrN3XqVMf7/p8kGc8++2y2++f0PCtXrjQiIyMNNzc3o2zZssaECRNyfMxryWl7qut5v8yePdto3bq1ERAQYLi5uRmlS5c2evXqZRw7dizLY02aNMkoW7asY2uwq23FNWPGDOORRx4xwsPDDU9PT8PDw8OoUqWK8dprrxnJycnZjp84caIRGRlpeHp6GkWKFDGqV69uvPTSS8bRo0cdx8THxxvt27c3ihQpkm2rNcCKbIZxm1bMA0ABVatWLRUrVuyKvyoGAOQOa2QB4BbauHGjYmJi1LVrV7OjAMAdhxlZADflxIkTWU7c+Tc3N7er7g17p9q2bZs2bdqk0aNH6+TJk9q/f788PDzMjgUAdxRO9gJwU+rWrZvtQgT/1LRpU61YseL2BconZs+erTfffFMVK1bUjBkzKLEAcAswIwvgpqxdu1bnz5+/4u1FixZVZGTkbUwEACgoKLIAAACwJE72AgAAgCUVuDWydrtdR48eVZEiRbhUHwAAQD5jGIZSUlJUokQJOTldfc61wBXZo0ePKiQkxOwYAAAAuIpDhw6pVKlSVz2mwBXZIkWKSLr84nh7e5ucBgAAAP+UnJyskJAQR2e7mgJXZDOXE3h7e1NkAQAA8qnrWQLKyV4AAACwJIosAAAALIkiCwAAAEsqcGtkAQAAbpWMjAxdunTJ7Bj5mqurq5ydnfPksSiyAAAAN8kwDMXHx+vMmTNmR7EEX19fBQUF3fSe/hRZAACAm5RZYgMCAuTl5cVFl67AMAydO3dOx48flyQFBwff1ONRZAEAAG5CRkaGo8QWL17c7Dj5nqenpyTp+PHjCggIuKllBpzsBQAAcBMy18R6eXmZnMQ6Ml+rm11PTJEFAADIAywnuH559VpRZAEAAGBJFFkAAABYEid7AQAA3AKhr8y/rc934L/tc3W/+Ph4vf3225o/f76OHDmigIAARUREqF+/fnrsscf04osv6pVXXsl2vxEjRuiTTz7R4cOH5erqerPxc4UZWQAAgALqwIEDioyM1K+//qr33ntPW7du1cKFC9W8eXM999xzevzxxzV16tRs9zMMQ9OmTVPXrl1NK7ESM7IAAAAFVt++fWWz2fTHH3+oUKFCjvGqVauqR48eOnTokD788EOtWbNGjRs3dty+cuVK7d+/X0899ZQZsR2YkQUAACiAEhMTtXDhQj377LNZSmwmX19fVa9eXXXr1tWUKVOy3DZ16lQ1bNhQlSpVul1xc0SRBQAAKID27t0rwzCuWUafeuopzZo1S2fPnpUkpaSkaPbs2erRo8ftiHlVFFkAAIACyDCM6zquS5cuysjI0HfffSdJmjlzppycnNS5c+dbGe+6UGQBAAAKoPLly8tms2nnzp1XPc7b21sPPvig46SvqVOn6uGHH1bhwoVvR8yrosgCAAAUQMWKFVObNm00btw4paamZrv9zJkzjj8/9dRTWrNmjX7++WetW7fO9JO8MlFkAQAACqhx48YpIyND9erV05w5c7Rnzx79/fff+uijjxQVFeU4rkmTJipXrpy6du2qSpUqqWHDhiam/h+23wIAALgFcnuBgtupbNmy2rx5s95++2298MILOnbsmPz9/RUZGalPP/3UcZzNZlOPHj306quvavDgwSYmzspmXO9K3ztEcnKyfHx8lJSUJG9vb7PjAAAAi7tw4YJiY2MVFhYmDw8Ps+NYwtVesxvpaiwtAAAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJLmYHAAAAuCMN87nNz5d03YfabLar3j506FANGzYsVzFsNpu+//57derUKVf3vxEUWQAAgALm2LFjjj/PnDlTQ4YM0a5duxxjhQsXNiPWDWNpAQAAQAETFBTk+PLx8ZHNZssy9u2336py5cry8PBQpUqVNH78eMd909LS1K9fPwUHB8vDw0NlypTRyJEjJUmhoaGSpPvuu082m83x/a3CjCwAAAAcvvnmGw0ZMkSffPKJatWqpS1btqhnz54qVKiQunXrpo8++kg//vijvvvuO5UuXVqHDh3SoUOHJEkbNmxQQECApk6dqrZt28rZ2fmWZjV1RnbVqlXq0KGDSpQoIZvNpnnz5l31+Llz56pVq1by9/eXt7e3oqKitGjRotsTFgAAoAAYOnSoRo8erfvvv19hYWG6//779fzzz+uzzz6TJMXFxal8+fJq3LixypQpo8aNG6tLly6SJH9/f0mSr6+vgoKCHN/fKqYW2dTUVNWsWVPjxo27ruNXrVqlVq1a6ZdfftGmTZvUvHlzdejQQVu2bLnFSQEAAO58qamp2rdvn5566ikVLlzY8fXWW29p3759kqQnn3xSMTExqlixovr376/FixebltfUpQV333237r777us+fuzYsVm+f+edd/TDDz/op59+Uq1atfI4HQAAQMFy9uxZSdKkSZNUv379LLdlLhOoXbu2YmNjtWDBAi1dulQPP/ywWrZsqdmzZ9/2vJZeI2u325WSkqJixYpd8ZiLFy/q4sWLju+Tk5NvRzQAAADLCQwMVIkSJbR//3499thjVzzO29tbnTt3VufOnfXggw+qbdu2SkxMVLFixeTq6qqMjIzbktfSRfb999/X2bNn9fDDD1/xmJEjR2r48OG3MRUAAIB1DR8+XP3795ePj4/atm2rixcvauPGjTp9+rQGDhyoMWPGKDg4WLVq1ZKTk5NmzZqloKAg+fr6Srq8c8GyZcvUqFEjubu7q2jRorcsq2WL7PTp0zV8+HD98MMPCggIuOJxgwcP1sCBAx3fJycnKyQk5HZEBAAABdkNXKAgP3n66afl5eWl9957T4MGDVKhQoVUvXp1DRgwQJJUpEgRvfvuu9qzZ4+cnZ1Vt25d/fLLL3Jyunzq1ejRozVw4EBNmjRJJUuW1IEDB25ZVpthGMYte/QbcCNXgfj222/Vo0cPzZo1S+3bt7+h50lOTpaPj4+SkpLk7e2dy7QAAACXXbhwQbGxsQoLC5OHh4fZcSzhaq/ZjXQ1y10QYcaMGerevbtmzJhxwyUWAAAAdw5TlxacPXtWe/fudXwfGxurmJgYFStWTKVLl9bgwYN15MgRffnll5IuLyfo1q2bPvzwQ9WvX1/x8fGSJE9PT/n43ObrGQMAAMBUps7Ibty4UbVq1XJsnTVw4EDVqlVLQ4YMkXT5OsBxcXGO4ydOnKj09HQ9++yzCg4Odnw999xzpuQHAACAeUydkW3WrJmutkR32rRpWb5fsWLFrQ0EAAAAy7DcGlkAAID8KJ+cP28JefVaUWQBAABugqurqyTp3LlzJiexjszXKvO1yy3L7iMLAACQHzg7O8vX11fHjx+XJHl5eclms5mcKn8yDEPnzp3T8ePH5evr67jsbW5RZAEAAG5SUFCQJDnKLK7O19fX8ZrdDIosAADATbLZbAoODlZAQIAuXbpkdpx8zdXV9aZnYjNRZAEAAPKIs7NznpU0XBsnewEAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJFOL7KpVq9ShQweVKFFCNptN8+bNu+Z9VqxYodq1a8vd3V3lypXTtGnTbnlOAAAA5D+mFtnU1FTVrFlT48aNu67jY2Nj1b59ezVv3lwxMTEaMGCAnn76aS1atOgWJwUAAEB+42Lmk9999926++67r/v4CRMmKCwsTKNHj5YkVa5cWWvWrNEHH3ygNm3a3NBz2+122e32G7oPAAAAbq0b6WemFtkbtX79erVs2TLLWJs2bTRgwIAr3ufixYu6ePGi4/vk5GRJ0r59+1S4cOFbkhMAAAC5c/bs2es+1lIne8XHxyswMDDLWGBgoJKTk3X+/Pkc7zNy5Ej5+Pg4vkJCQm5HVAAAANxilpqRzY3Bgwdr4MCBju+Tk5MVEhKi8PBweXt7m5gMAAAA/5b52/PrYakiGxQUpISEhCxjCQkJ8vb2lqenZ473cXd3l7u7e7ZxJycnOTlZakIaAADgjncj/cxSTS4qKkrLli3LMrZkyRJFRUWZlAgAAABmMbXInj17VjExMYqJiZF0eXutmJgYxcXFSbq8LKBr166O43v37q39+/frpZde0s6dOzV+/Hh99913ev75582IDwAAABOZWmQ3btyoWrVqqVatWpKkgQMHqlatWhoyZIgk6dixY45SK0lhYWGaP3++lixZopo1a2r06NGaPHnyDW+9BQAAAOuzGYZhmB3idkpOTpaPj4+SkpI42QsAACCfuZGuZqk1sgAAAEAmiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS3IxOwAAAHeaY8eO6dixYzd8v+DgYAUHB9+CRMCdiSILAEAe++yzzzR8+PAbvt/QoUM1bNiwvA8E3KEosgAA5LFevXrp3nvvzTJ2/vx5NW7cWJK0Zs0aeXp6Zrsfs7HAjaHIAgCQx3JaIpCamur4c0REhAoVKnS7YwF3HE72AgAAgCUxIwsAyBdCX5lvdoRbyp52wfHnym8slJObh4lpbr0D/21vdgQUABRZ3BDOxAUAAPkFRRY3hDNxAQBAfkGRxQ3hTFwAuLb0s4nKOJuYZcy4lOb4c1rCftlc3bLdz7lwMbkULnbL8wF3Coosbghn4gLAtZ2NWaCktTOueHvC9JdyHPdp1EW+jR+7VbGAOw5FFgCAPFY44m55lqt/w/dzZjYWuCEUWQAA8pgLSwSA24J9ZAEAAGBJFFkAAABYEksLbpM7eaNvNvkGAABmYEYWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEid74YZw2UUAAJBfUGRxQ7jsIgAAyC8osrghXHYRAADkFxRZ3BAuuwgAAPILTvYCAACAJVFkAQAAYEkUWQAAAFgSRRYAAACWRJEFAACAJVFkAQAAYEkUWQAAAFgSRRYAAACWRJEFAACAJVFkAQAAYEkUWQAAAFgSRRYAAACWRJEFAACAJeWLIjtu3DiFhobKw8ND9evX1x9//HHV48eOHauKFSvK09NTISEhev7553XhwoXblBYAAAD5gelFdubMmRo4cKCGDh2qzZs3q2bNmmrTpo2OHz+e4/HTp0/XK6+8oqFDh+rvv//W559/rpkzZ+rVV1+9zckBAABgJtOL7JgxY9SzZ091795dVapU0YQJE+Tl5aUpU6bkePy6devUqFEjPfroowoNDVXr1q3VpUuXa87iAgAA4M5iapFNS0vTpk2b1LJlS8eYk5OTWrZsqfXr1+d4n4YNG2rTpk2O4rp//3798ssvateuXY7HX7x4UcnJyVm+AAAAYH0uZj75yZMnlZGRocDAwCzjgYGB2rlzZ473efTRR3Xy5Ek1btxYhmEoPT1dvXv3vuLSgpEjR2r48OF5nh0AAADmMn1pwY1asWKF3nnnHY0fP16bN2/W3LlzNX/+fI0YMSLH4wcPHqykpCTH16FDh25zYgAAANwKps7I+vn5ydnZWQkJCVnGExISFBQUlON93njjDT3xxBN6+umnJUnVq1dXamqqnnnmGb322mtycsrazd3d3eXu7n5rfgAAAACYxtQZWTc3N0VGRmrZsmWOMbvdrmXLlikqKirH+5w7dy5bWXV2dpYkGYZx68ICAAAgXzF1RlaSBg4cqG7duqlOnTqqV6+exo4dq9TUVHXv3l2S1LVrV5UsWVIjR46UJHXo0EFjxoxRrVq1VL9+fe3du1dvvPGGOnTo4Ci0AAAAuPOZXmQ7d+6sEydOaMiQIYqPj1dERIQWLlzoOAEsLi4uywzs66+/LpvNptdff11HjhyRv7+/OnTooLffftusHwEAAAAmsBkF7PfxycnJ8vHxUVJSkry9vW/b84a+Mv+2PRdurQP/bW92BOCOxOfknYXPSuTWjXQ1y+1aAAAAAEgUWQAAAFgURRYAAACWRJEFAACAJZm+awEAALgDDfMxOwHy0rAksxPkiBlZAAAAWBJFFgAAAJZEkQUAAIAlUWQBAABgSRRZAAAAWBJFFgAAAJZEkQUAAIAlUWQBAABgSRRZAAAAWBJFFgAAAJbEJWqBG8VlF+8s+fSyiwCAa2NGFgAAAJZEkQUAAIAlUWQBAABgSRRZAAAAWBJFFgAAAJaU6yJ75swZTZ48WYMHD1ZiYqIkafPmzTpy5EiehQMAAACuJFfbb/31119q2bKlfHx8dODAAfXs2VPFihXT3LlzFRcXpy+//DKvcwIAAABZ5GpGduDAgXryySe1Z88eeXh4OMbbtWunVatW5Vk4AAAA4EpyVWQ3bNigXr16ZRsvWbKk4uPjbzoUAAAAcC25KrLu7u5KTk7ONr579275+/vfdCgAAADgWnJVZO+99169+eabunTpkiTJZrMpLi5OL7/8sh544IE8DQgAAADkJFdFdvTo0Tp79qwCAgJ0/vx5NW3aVOXKlVORIkX09ttv53VGAAAAIJtc7Vrg4+OjJUuWaO3atfrzzz919uxZ1a5dWy1btszrfAAAAECObrjIXrp0SZ6enoqJiVGjRo3UqFGjW5ELAAAAuKobXlrg6uqq0qVLKyMj41bkAQAAAK5LrtbIvvbaa3r11VcdV/QCAAAAbrdcrZH95JNPtHfvXpUoUUJlypRRoUKFsty+efPmPAkHAAAAXEmuimynTp3yOAYAAABwY3JVZIcOHZrXOQAAAIAbkqsim2nTpk36+++/JUlVq1ZVrVq18iQUAAAAcC25KrLHjx/XI488ohUrVsjX11eSdObMGTVv3lzffvstl6kFAADALZerXQv+85//KCUlRdu3b1diYqISExO1bds2JScnq3///nmdEQAAAMgmVzOyCxcu1NKlS1W5cmXHWJUqVTRu3Di1bt06z8IBAAAAV5KrGVm73S5XV9ds466urrLb7TcdCgAAALiWXBXZFi1a6LnnntPRo0cdY0eOHNHzzz+vu+66K8/CAQAAAFeSqyL7ySefKDk5WaGhoQoPD1d4eLjCwsKUnJysjz/+OK8zAgAAANnkao1sSEiINm/erKVLl2rnzp2SpMqVK6tly5Z5Gg4AAAC4klzvI2uz2dSqVSu1atUqL/MAAAAA1yVXSwv69++vjz76KNv4J598ogEDBtxsJgAAAOCaclVk58yZo0aNGmUbb9iwoWbPnn3ToQAAAIBryVWRPXXqlHx8fLKNe3t76+TJkzcdCgAAALiWXBXZcuXKaeHChdnGFyxYoLJly950KAAAAOBacnWy18CBA9WvXz+dOHFCLVq0kCQtW7ZMo0eP1tixY/MyHwAAAJCjXBXZHj166OLFi3r77bc1YsQISVJoaKg+/fRTde3aNU8DAgAAADnJ9fZbffr0UZ8+fXTixAl5enqqcOHCeZkLAAAAuKpcrZE9f/68zp07J0ny9/fXqVOnNHbsWC1evDhPwwEAAABXkqsi27FjR3355ZeSpDNnzqhevXoaPXq0OnbsqE8//TRPAwIAAAA5yVWR3bx5s6KjoyVJs2fPVlBQkA4ePKgvv/wyxwslAAAAAHktV0X23LlzKlKkiCRp8eLFuv/+++Xk5KQGDRro4MGDeRoQAAAAyEmu95GdN2+eDh06pEWLFql169aSpOPHj8vb2ztPAwIAAAA5yVWRHTJkiF588UWFhoaqfv36ioqKknR5drZWrVp5GhAAAADISa6233rwwQfVuHFjHTt2TDVr1nSM33XXXbrvvvsc3x8+fFglSpSQk1Ou+jIAAABwRbneRzYoKEhBQUFZxurVq5fl+ypVqigmJobL1gIAACDP3dKpUsMwbuXDAwAAoADjd/4AAACwJIosAAAALIkiCwAAAEu6pUXWZrPdyocHAABAAcbJXgAAALCkXG+/dT127NihEiVK3MqnAAAAQAF13UX2/vvvv+4HnTt3riQpJCTkxhMBAAAA1+G6i6yPj8+tzAEAAADckOsuslOnTr2VOQAAAIAbwvZbAAAAsKTrnpGtVavWdW+ntXnz5lwHAgAAAK7HdRfZTp063cIYAAAAwI257iI7dOjQW5kDAAAAuCGskQUAAIAl5eqCCBkZGfrggw/03XffKS4uTmlpaVluT0xMzJNwAAAAwJXkakZ2+PDhGjNmjDp37qykpCQNHDhQ999/v5ycnDRs2LA8jggAAABkl6si+80332jSpEl64YUX5OLioi5dumjy5MkaMmSIfvvttxt+vHHjxik0NFQeHh6qX7++/vjjj6sef+bMGT377LMKDg6Wu7u7KlSooF9++SU3PwoAAAAsKldFNj4+XtWrV5ckFS5cWElJSZKke+65R/Pnz7+hx5o5c6YGDhyooUOHavPmzapZs6batGmj48eP53h8WlqaWrVqpQMHDmj27NnatWuXJk2apJIlS+bmRwEAAIBF5arIlipVSseOHZMkhYeHa/HixZKkDRs2yN3d/YYea8yYMerZs6e6d++uKlWqaMKECfLy8tKUKVNyPH7KlClKTEzUvHnz1KhRI4WGhqpp06aqWbNmbn4UAAAAWFSuiux9992nZcuWSZL+85//6I033lD58uXVtWtX9ejR47ofJy0tTZs2bVLLli3/F8jJSS1bttT69etzvM+PP/6oqKgoPfvsswoMDFS1atX0zjvvKCMjI8fjL168qOTk5CxfAAAAsL5c7Vrw3//+1/Hnzp07q0yZMlq3bp3Kly+vDh06XPfjnDx5UhkZGQoMDMwyHhgYqJ07d+Z4n/379+vXX3/VY489pl9++UV79+5V3759denSpRz3uh05cqSGDx9+3ZkAAABgDbkqsv/WoEEDNWjQIC8e6prsdrsCAgI0ceJEOTs7KzIyUkeOHNF7772XY5EdPHiwBg4c6Pg+OTlZISEhtyUrAAAAbp1cFdmRI0cqMDAw2zKCKVOm6MSJE3r55Zev63H8/Pzk7OyshISELOMJCQkKCgrK8T7BwcFydXWVs7OzY6xy5cqKj49XWlqa3Nzcshzv7u5+w+t2AQAAkP/lao3sZ599pkqVKmUbr1q1qiZMmHDdj+Pm5qbIyEjHelvp8ozrsmXLFBUVleN9GjVqpL1798putzvGdu/ereDg4GwlFgAAAHeuXG+/FRwcnG3c39/fsZvB9Ro4cKAmTZqkL774Qn///bf69Omj1NRUde/eXZLUtWtXDR482HF8nz59lJiYqOeee067d+/W/Pnz9c477+jZZ5/NzY8CAAAAi8rV0oKQkBCtXbtWYWFhWcbXrl2rEiVK3NBjde7cWSdOnNCQIUMUHx+viIgILVy40HECWFxcnJyc/te3Q0JCtGjRIj3//POqUaOGSpYsqeeee+66lzMAAADgzpCrItuzZ08NGDBAly5dUosWLSRJy5Yt00svvaQXXnjhhh+vX79+6tevX463rVixIttYVFRUrq4gBgAAgDtHrorsoEGDdOrUKfXt21dpaWmSJA8PD7388stZlgEAAAAAt0quiqzNZtOoUaP0xhtv6O+//5anp6fKly/P7gAAAAC4bXJ1slem+Ph4JSYmKjw8XO7u7jIMI69yAQAAAFeVqyJ76tQp3XXXXapQoYLatWvn2KngqaeeytUaWQAAAOBG5arIPv/883J1dVVcXJy8vLwc4507d9bChQvzLBwAAABwJblaI7t48WItWrRIpUqVyjJevnx5HTx4ME+CAQAAAFeTqxnZ1NTULDOxmRITEznhCwAAALdFropsdHS0vvzyS8f3NptNdrtd7777rpo3b55n4QAAAIArydXSgvfee08tWrTQxo0blZaWppdeeknbt29XYmKi1q5dm9cZAQAAgGxuuMheunRJ/fv3108//aQlS5aoSJEiOnv2rO6//349++yzCg4OvhU5AQAAgCxuuMi6urrqr7/+UtGiRfXaa6/dikwAAADANeVqjezjjz+uzz//PK+zAAAAANctV2tk09PTNWXKFC1dulSRkZEqVKhQltvHjBmTJ+EAAACAK8lVkd22bZtq164tSdq9e3eW22w2282nAgAAAK4hV0V2+fLleZ0DAAAAuCG5WiMLAAAAmI0iCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwpHxRZMeNG6fQ0FB5eHiofv36+uOPP67rft9++61sNps6dep0awMCAAAg3zG9yM6cOVMDBw7U0KFDtXnzZtWsWVNt2rTR8ePHr3q/AwcO6MUXX1R0dPRtSgoAAID8xPQiO2bMGPXs2VPdu3dXlSpVNGHCBHl5eWnKlClXvE9GRoYee+wxDR8+XGXLlr2NaQEAAJBfmFpk09LStGnTJrVs2dIx5uTkpJYtW2r9+vVXvN+bb76pgIAAPfXUU9d8josXLyo5OTnLFwAAAKzP1CJ78uRJZWRkKDAwMMt4YGCg4uPjc7zPmjVr9Pnnn2vSpEnX9RwjR46Uj4+P4yskJOSmcwMAAMB8pi8tuBEpKSl64oknNGnSJPn5+V3XfQYPHqykpCTH16FDh25xSgAAANwOLmY+uZ+fn5ydnZWQkJBlPCEhQUFBQdmO37dvnw4cOKAOHTo4xux2uyTJxcVFu3btUnh4eJb7uLu7y93d/RakBwAAgJlMnZF1c3NTZGSkli1b5hiz2+1atmyZoqKish1fqVIlbd26VTExMY6ve++9V82bN1dMTAzLBgAAAAoQU2dkJWngwIHq1q2b6tSpo3r16mns2LFKTU1V9+7dJUldu3ZVyZIlNXLkSHl4eKhatWpZ7u/r6ytJ2cYBAABwZzO9yHbu3FknTpzQkCFDFB8fr4iICC1cuNBxAlhcXJycnCy1lBcAAAC3gelFVpL69eunfv365XjbihUrrnrfadOm5X0gAAAA5HtMdQIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEuiyAIAAMCSKLIAAACwJIosAAAALIkiCwAAAEvKF0V23LhxCg0NlYeHh+rXr68//vjjisdOmjRJ0dHRKlq0qIoWLaqWLVte9XgAAADcmUwvsjNnztTAgQM1dOhQbd68WTVr1lSbNm10/PjxHI9fsWKFunTpouXLl2v9+vUKCQlR69atdeTIkducHAAAAGYyvciOGTNGPXv2VPfu3VWlShVNmDBBXl5emjJlSo7Hf/PNN+rbt68iIiJUqVIlTZ48WXa7XcuWLbvNyQEAAGAmU4tsWlqaNm3apJYtWzrGnJyc1LJlS61fv/66HuPcuXO6dOmSihUrluPtFy9eVHJycpYvAAAAWJ+pRfbkyZPKyMhQYGBglvHAwEDFx8df12O8/PLLKlGiRJYy/E8jR46Uj4+P4yskJOSmcwMAAMB8pi8tuBn//e9/9e233+r777+Xh4dHjscMHjxYSUlJjq9Dhw7d5pQAAAC4FVzMfHI/Pz85OzsrISEhy3hCQoKCgoKuet/3339f//3vf7V06VLVqFHjise5u7vL3d09T/ICAAAg/zB1RtbNzU2RkZFZTtTKPHErKirqivd79913NWLECC1cuFB16tS5HVEBAACQz5g6IytJAwcOVLdu3VSnTh3Vq1dPY8eOVWpqqrp37y5J6tq1q0qWLKmRI0dKkkaNGqUhQ4Zo+vTpCg0NdaylLVy4sAoXLmzazwEAAIDby/Qi27lzZ504cUJDhgxRfHy8IiIitHDhQscJYHFxcXJy+t/E8aeffqq0tDQ9+OCDWR5n6NChGjZs2O2MDgAAABOZXmQlqV+/furXr1+Ot61YsSLL9wcOHLj1gQAAAJDvWXrXAgAAABRcFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlkSRBQAAgCVRZAEAAGBJFFkAAABYEkUWAAAAlpQviuy4ceMUGhoqDw8P1a9fX3/88cdVj581a5YqVaokDw8PVa9eXb/88sttSgoAAID8wvQiO3PmTA0cOFBDhw7V5s2bVbNmTbVp00bHjx/P8fh169apS5cueuqpp7RlyxZ16tRJnTp10rZt225zcgAAAJjJ9CI7ZswY9ezZU927d1eVKlU0YcIEeXl5acqUKTke/+GHH6pt27YaNGiQKleurBEjRqh27dr65JNPbnNyAAAAmMnFzCdPS0vTpk2bNHjwYMeYk5OTWrZsqfXr1+d4n/Xr12vgwIFZxtq0aaN58+blePzFixd18eJFx/dJSUmSpOTk5JtMf2PsF8/d1ufDrZNsM8yOgLx0mz8LcGV8Tt5Z+Ky8w9zGz8rMjmYY134PmVpkT548qYyMDAUGBmYZDwwM1M6dO3O8T3x8fI7Hx8fH53j8yJEjNXz48GzjISEhuUyNgs7H7ADIW//lbxS4Ffh/1h3GhM/KlJQU+fhc/XlNLbK3w+DBg7PM4NrtdiUmJqp48eKy2WwmJoMVJScnKyQkRIcOHZK3t7fZcQAgX+KzEjfDMAylpKSoRIkS1zzW1CLr5+cnZ2dnJSQkZBlPSEhQUFBQjvcJCgq6oePd3d3l7u6eZczX1zf3oQFJ3t7efDgDwDXwWYncutZMbCZTT/Zyc3NTZGSkli1b5hiz2+1atmyZoqKicrxPVFRUluMlacmSJVc8HgAAAHcm05cWDBw4UN26dVOdOnVUr149jR07VqmpqerevbskqWvXripZsqRGjhwpSXruuefUtGlTjR49Wu3bt9e3336rjRs3auLEiWb+GAAAALjNTC+ynTt31okTJzRkyBDFx8crIiJCCxcudJzQFRcXJyen/00cN2zYUNOnT9frr7+uV199VeXLl9e8efNUrVo1s34EFCDu7u4aOnRotuUqAID/4bMSt4vNuJ69DQAAAIB8xvQLIgAAAAC5QZEFAACAJVFkAQAAYEkUWQAAAFgSRRYAAACWRJEFAAD5Fpsr4WoossBtsnz5ciUmJpodAwAsxWazmR0B+RhFFrgNTp48qT59+ujChQtmRwEAyxg2bJhiY2PNjoF8jCIL3EKZvxLbtGmTfHx8FBAQYHIiALCGw4cPa8yYMfL09DQ7CvIxiixwC2UW2eDgYJUvX15Lly41OREA5G+Zn5tHjx5Vq1atHJepNwxDdrudNbPIwsXsAMCdLPMD+P7779f+/fsVExOjhIQE1a9fX8HBwSpcuLCcnZ1NTgkA+YdhGLLZbDp8+LAOHz6sKVOm6JVXXpHNZmO9LLKxGfzTBrjlli5dqpUrV2rWrFnavXu3fHx8VLduXTVv3lx16tTRXXfd5Si9AACpTZs2+uOPP2S329WqVSs1bNhQVatWVaVKlRQSEsJnJiRRZIHbLiUlRQsWLND333+vn376ScWLF9fBgwfNjgUA+crBgwf1119/af369dq0aZNOnDghV1dXBQYGqlSpUvrggw/k7u5udkyYjCIL3AY7d+7Utm3bVLFiRVWvXj3LbYmJiSpWrJhJyQDAGnbs2KH169drxYoVMgxDX3/9tdmRkA9QZIFb7LPPPtO4cePk6uqqLVu2aPHixWrZsqV27typ0NBQeXh4mB0RAPKdqVOnauPGjQoODlaXLl0UHh7uuC09PV0uLpzmA3YtAG4Ju90uSdqwYYPGjh2rvn376uOPP5avr6+qVasmwzD0xRdfaOLEiZyBCwD/0rNnT73//vs6evSohgwZori4OEnSypUrFR8fT4mFA0UWuAUyy+m3336r8PBw9e7dW1u3blV4eLiCgoIkSd7e3lq1ahVn4QKA/jcBsGzZMi1fvlwzZ87U559/rqJFi6pmzZrKyMjQd999p9dee40JADhQZIFbIPNs2oSEBNWqVUuSNG/ePLVs2VLS5Usubt68WaVKlTItIwDkJ5nl9Mcff1RERISqVaumCRMmqEqVKipWrJicnZ1Vvnx5HT16lAkAOFBkgVsg80P24Ycf1ueff66YmBht2rRJbdu2lSTt3btX69at07333mtmTADINzL31C5UqJCKFCkiSVqxYoVat27tOGbZsmXZTphFwcYiEyCP2e12x4xs69at9dhjj+k///mPkpKStG/fPv3222+aOXOmoqKi1KJFC5PTAkD+8sQTT6hhw4aqWbOm1q1bpyFDhkiSvv/+e8XExGjo0KEmJ0R+wq4FwC3wzzJ74MABTZ48WfPmzdOhQ4dUtWpV1a5dW8OHD1fx4sVNTgoA+c/333+vDz74QDt27FCzZs104sQJ7d69W88884yGDx9udjzkIxRZIA8FBwdr9erVKleunGJjYxUWFpbl9oSEBJ07d06hoaGs8QIASVu2bFGVKlWyXNwgIyNDK1eu1OLFi7Vv3z6VKlVKdevW1aOPPmpiUuRHFFkgjyQmJmrOnDnq2bOnTp065bj6TL169dSuXTu1a9dOAQEBZscEgHzFzc1NW7duVcWKFTVlyhRFRkaqcuXKcnNzk5T1N1zAv1FkgTwyffp02e12Pf7440pMTNSyZcu0e/durVu3Tlu3btWZM2cUEhKixo0bq3PnzqyPBVDgnTt3TqdOnVJISIgSExMVGhqq8+fPq2TJkmrcuLHuvvtuNW7cWMHBwY5iC/wTRRbII+XLl9crr7yip556Sl9//bUaNGig0NBQnTx5UkePHtXu3bu1efNm/fLLL4qKitKkSZPMjgwApnrhhRfk4uKiUaNG6fTp05KkQ4cOafHixVqwYIE2bNigtLQ0hYaGqkuXLpzohWwoskAesNvtioiIULdu3fTCCy/IyclJa9asUcOGDbMcd+7cOSUkJKhIkSLy8/MzKS0A5A9VqlTRoEGD1L17d/Xt21cdOnTQ3Xff7bg9JSVFW7Zs0cyZM+Xv769hw4aZFxb5EkUWyAN2u10ffvihXn75ZdWqVUvbt2/XvHnzVLlyZRUvXlzu7u6c3AUA/5CRkaF7771X7u7u6tevn1q2bKn169erfv36ZkeDhVBkgTxiGIa2b9+uhx56SHv27JHdbpe/v78aNGigVq1aKSoqSqVLl5avr69cXV3NjgsApluzZo1efPFFpaSk6ODBg+rVq5cqV66sihUrOi7pzYleuBqKLJDHXnjhBdWoUUOdOnXSrFmz9NNPP2nNmjVKTU2Vu7u7xo0bp8cff9zsmACQbzRq1Eh///23KlWqpFOnTsnb21thYWGqWrWqypYtq8jISFWpUsXsmMiHKLLATTp79qw2b96sJk2ayDCMKy4h2L59u7799lt16NBB9erVu80pASB/SUtLc+xE8NVXX6lMmTJq0qSJYmJitHLlSq1Zs0axsbE6cOCA3nzzTfXt29fkxMiPKLLATZo7d66GDBmibdu2afv27Zo9e7YefPBBVa1a1exoAJAvHTt2TO+9955Gjx4tSbLZbEpPT5eLi0uW4y5evKhVq1apYsWKKl26tBlRkc+x8AS4SW3bttWyZcskSX///bdGjRqlyMhI+fn5qVOnTpo6daqOHj1qckoAyD92796tPXv2yGazaeXKlapatapGjRqlJUuWaN++fTpz5owuXbokd3d3tWrVihKLK2JGFshjZ86c0b59+7R+/XotWbJE69atU3JyspycnDRz5kzde++9ZkcEANP8ewnWn3/+qZdfflnbt2/XkSNHFBQUpKioKLVo0ULVq1dXpUqVuCoirogiC+QRwzCUkJAgb29veXl5OT6sk5KSFBMTo/nz5+upp55SxYoVzY4KAKbKaRmBdHnJwbx58zR37lxt2rRJZ86c0cSJE/X000+bkBJWQJEFblLmdcDXrFmjb775Rk899ZTq1Knj2I7L3d1d5cuX53rhAPAvaWlp+vXXX1W+fHmVLVs228mymzdvVkhIiPz9/U1KiPyO/6oCN8lut0uSJkyYoKSkJMcWMSNHjtQjjzyiFi1aaMKECZRYAPh/GRkZkqQFCxZo7NixSkhIkM1mU2Jioj788ENNnTpVly5dUu3atSmxuKrs8/oAboizs7MkacWKFZoyZYq8vLw0a9YszZo1S126dNHp06c1c+ZMtWnTRmFhYSanBQDzZf4y+PPPP1d4eLgaNmyo5ORkDRw4UL/++quOHTumZcuW6csvv2QSAFdFkQVuUuYsgpeXl06fPq2kpCRNnDhR99xzj1577TUlJiaqRo0afBgDwP/LXB+7ZcsWPf/885Iul9rY2Fh99dVXSk9P1yuvvKKYmBjVrl3bzKjI5yiyQB7w8fHRQw89pFGjRumbb77Rnj179PXXX0uSNmzYoPPnz6tMmTImpwSA/CMpKUlly5bVggUL5Ofnp88++0wDBgxQ06ZNlZKSov3797NbAa6JKSIgDzg7OztO8goLC9OMGTMUGBiovXv3aubMmWrfvr3ZEQEg3zAMQz4+Purdu7d+/PFHPfLIIwoMDFTv3r0lST///LM8PDxUqlQpk5Miv2NGFsgDhw4dUsmSJTVx4sQs47t27dK5c+fUv39/k5IBQP6TuTvBI488Ii8vL3l4eKhWrVqSLu9U8MMPP6hz585mRoRFsP0WkEuZ+8Tu3r1bAwcO1MCBA9WiRQvZ7Xb9+eef2rdvnzp06CB3d/dsG4ADQEH3ww8/KCwsTDVq1Mgyvn37di1fvlzt2rVT2bJlTUoHq2BpAZBLmdtuTZ8+XampqapTp44kafz48erYsaOGDh2qV1991cyIAJCvZH5ubtiwQSNGjNCZM2ckSWfPntWoUaPUq1cvSVK/fv0osbguFFkglzJnWH/55Rc98MAD8vb21k8//aQ5c+bomWeeUf/+/bVkyRKtWLGC2VgA0P+K7IwZMxQUFKQmTZooJSVFr7/+usaNG6eNGzeqX79+SklJMTkprIIiC+RS5nZaHh4eOnXqlFJTUzV27FhFRkZq0KBB6tWrly5cuCBW7wDAZZmfm7/99pvjJNgZM2Zo9+7d+uCDD/Ttt98qJSVFv/zyi5kxYSGc7AXcpJ49e+r555/X6tWrtWPHDn3xxRdyd3fXzp07dfjwYTVu3NjsiACQLzg5Oclutys8PFzz589XhQoVNGrUKPXp00cdOnSQm5ubTpw4oeDgYLOjwiI42Qu4SefPn9fXX3+t3bt36/7771dUVJRiY2P1zjvv6ODBg1q8eLHZEQEgX4mJiVGvXr3k5OQkZ2dnrVq1Sk5OTlq1apU6dOigpKQksyPCIiiywC2wadMmffnll2rdujV7yALAP2TWjk2bNun06dOqU6eOihYtqh07dujdd9+VJE2bNs3EhLASiixwE86ePauffvpJ+/fvV3R0tBo2bOi49CIA4PrFxcVp5cqVql27tqpWrWp2HFgERRa4QXa7XU5OTvrzzz/10ksv6fDhwypUqJA2btwoX19fRUZGqnXr1mrRooUiIyPNjgsA+YbdbtfWrVv19ttv6/jx42rTpo3q1Kmj6tWrKygoyOx4sCB2LQBuUOb2MaNHj5avr6+WLFmiunXrKjo6Wi+//LI2bNigl19+WR9++KHJSQEgf8jIyJAkLV68WI8++qhcXFxUpEgRvfbaa2rXrp0iIiLUoUMHjRkzxuSksBp+BwrcoMylA0uXLtXkyZNVokQJ/f7773r66afVu3dvOTk5adeuXRo2bJi5QQEgn/n000/VvHlzffLJJxo0aJCKFCmiESNGqGvXrlq0aJHCw8PNjgiLYUYWyIX4+Hj5+fmpYsWKOn/+vE6ePKnq1atLkh544AH9+eefcnNzMzklAOQPzs7Oki6f4NWpUydJ0qJFi9SyZUuFh4frtddeU//+/ZkAwA2jyAK5kJGRofbt22vXrl26cOGCQkND9eeff0q6fOnFffv2KSAgwOSUAJB/JCQkqHr16ipatKhSU1N16dIlx7rY+vXr68svv1RaWprJKWE1LC0ArpNhGI5LzZYsWVIjR45UWlqa3NzcVK9ePQ0aNEjjxo1TamqqevbsaXJaAMhfPDw81L17d124cEEeHh6qXr26Zs+erXr16un999+Xm5sbEwC4YexaAFyHixcvauLEiapbt67KlCkjb29veXl5OYptenq6vvrqK+3YsUM1atRQu3btVLx4cZNTA4C5Tp06le2zMHNS4Ouvv1avXr10/vx5Va5cWS+++KK6d+9uUlJYFUUWuA6///67oqKi5O7urtDQUDVp0kRNmzZVtWrVFBwcrGLFijnWgAEApJSUFD3++OOqVq2aKleurEqVKqlcuXLy9fV1HHPixAnt2rVL3t7eqlq1Kp+juGEUWeAa/rmkYPPmzZo7d67mz5+vrVu3ys3NTTVq1FDTpk3VtGlTlStXTkFBQfL29jY5NQCYa8+ePerXr5/OnTuns2fPytfXV6VLl1aFChWyFFtOjMXNoMgC1yEjIyPbTIFhGFq2bJnmzp2rhQsX6vDhw0pPT9fkyZPVo0cPk5ICQP5y+vRpbdy4UWvWrNGWLVt07NgxGYah4sWLKzw8XGXKlFGzZs1Uv359s6PCgiiywHWw2+365ZdfNGXKFH3xxRfy8vLKVmxPnz6t2bNnKzo6WpUqVTIpKQDkD4ZhKD09XWfPnlXRokUd43Fxcfrtt9+0fv167dy5U9u2bdOwYcP01FNPmZgWVkWRBa4ic1nBwoULNXbsWDVv3lwvv/yyYzwjI0M2m03p6en8egwA/uHcuXP66KOPtGzZMv30009yc3OTk1P2XT+3bNmikJAQ+fn5mZASVsc+ssBVZF6Odtq0aapWrZpeeOGFLLc7OTnJyclJs2bNUseOHXX+/HkzYgJAvpE5P/b9999r2bJl+s9//iMPDw/H7Zmfq8ePH9fu3btVq1YtSixyjSILXEXm8oGlS5eqVatWjsvTZp78lfm/VatWlWEY+vvvv80JCgD5RGaR/frrr9WoUSPde++9kuSYjc383Pztt9/Uq1cvHTlyxJyguCNQZIFrOHz4sIoWLSo/Pz9daSVOSEiI9uzZIy8vr9ucDgDyl8zCumnTphxP4MossnXq1JGnp6d27dp1W/PhzkKRBa7ByclJ/v7+Wrx4seMDWLo865BZbLdu3ar4+HhO8gIASUeOHFGpUqWUkZEh6X/LCf6pUKFC+uuvv1S6dOnbHQ93EIoscBWGYahEiRKqUqWKRo8ereXLlzvWwdpsNtlsNh07dkxffvmlmjZtanJaAMgfihUrpsDAQM2YMUPS/2Zp/1loly5dqgsXLqhcuXKmZMSdwcXsAEB+ljkDO3LkSG3evFndunXTE088oejoaBUtWlSJiYkaPXq0kpOT9e6775qcFgDyB09PT7Vt21YvvviiwsLC1K1bN5UpU8axu8v69es1bdo03X///SYnhdWx/RZwnTZv3qz3339fixcvVmJiojw8PJSRkaHw8HB98803qlWrltkRASBfyNyicMCAAfr6668VFhamunXrys/PT0lJSZo1a5bq1KmjUaNGqXLlymbHhYVRZIEbtH//fh08eFCHDh2Sn5+f2rRpw/XBAeBfMsvs559/ri+++EIxMTEqVKiQfHx81KRJE7377rvy9fU1OyYsjiILXIXdbpeTk5Pef/99eXp66vHHH5ePj4/ZsQAg38ossCNHjpSTk5NefvllSZc/T3fu3ClfX1+VKFHC5JS4U3CyF3AVmScofPzxx/L09JSnp6ckqXv37oqIiNCgQYOUmppqZkQAyFfOnDkjSfrqq69UqFAhSVJGRoacnJxUpUoVlShRQqdOnZKkK25pCFwviixwBZln165evVoXL15Ujx49lJ6erjFjxmjx4sXq0KGDJk+erLlz55qcFADyh+TkZHXo0EHDhg3Trl27VKNGDZ0/fz7L1oWSFB0drVWrVmUbB24UuxYA1/DHH3+oevXqkqTff/9dS5Ys0ZAhQ9SrVy/ZbDbNnTtXTzzxhMkpAcB8KSkpCgwM1Pjx4yVJXbp0Uf369dWsWTPVq1dPJUuW1L59+7Rv3z5FRUWZnBZ3AooscAWZywpq166tjz76SAMGDNDq1asVGRmpBx98UJK0c+dOlSpVysyYAJBvlCxZUnPmzNGYMWO0YcMG3X333Zo+fbpef/11nT9/XiEhIfLx8dEDDzwgV1dXs+PiDsDJXsB1GDt2rGbMmCE/Pz99/vnnCgoK0qZNm3T//ffr66+/VnR0tNkRAcB0GRkZMgxDLi7Z58n+/PNPLViwQAEBAbr33nvl5+dnQkLcaSiyQC5cvHhRH374oTZu3KjvvvvO7DgAkG+cO3dOb7/9tqKiotS2bVu5uLg4djIA8honewE5yPz3nWEYWrhwoZ555hm99NJLiomJkSS5ubnpkUce0ejRo01MCQD5R0ZGhiTpxx9/1IIFC1S5cmW5uLjor7/+UpMmTVS6dGl9/PHH7FSAPEWRBa5i8ODB6t+/v+x2u95//32tXbtWkrR27VqdO3dOISEhJicEgPzlu+++U8OGDRUeHq6dO3dq8ODB8vb21j333KOvv/5aBw8eNDsi7iAUWSAHNptNR48e1RdffKGJEydqwoQJKlq0qJo2bSrp8uVq33jjDcd+iQBQ0GVe4fDw4cOqW7euJGny5MkqUqSI3n33XY0ZM0YXL17Uxo0bzYyJOwy7FgD/knk1rwULFsjf31/NmjXTggULVLhwYVWoUEGSFBYWpokTJ3J5RQD4h/T0dLVo0UJvv/22duzYoU8//VQzZ85U1apVde7cOcXGxqp27dpmx8QdhCIL/EvmtltOTk4KDQ2VJC1ZskSNGjWSm5ubpMsXSShdurRZEQEgX3JxcdGAAQMUHx+v7du36/nnn9c999yjixcv6quvvlLx4sVVtmxZs2PiDkKRBa6gQ4cOevXVVzVixAjNmTNHL730kqTL62N/+eUXDRo0yOSEAJD/BAUFacqUKY5JAUmKiYnRunXr1LdvXxOT4U7E9lvAVWzevFkvvfSSVq9erfbt2ys9PV3Lly/XM888o+HDh6tw4cJmRwSAfOPUqVP64YcftG7dOvn6+mrw4MEqXry40tLSdODAAQUEBLAkC3mKIgtcQ2xsrObPn6/58+crNDRUDRo00GOPPZbjht8AUNBk7hF78OBBDRw4UDExMWrYsKGmT5+uQ4cOqUSJEpozZ44aN26swMBAs+PiDsN/iYEr2LZtm/bs2aPTp0/rmWeeUb9+/RwnggEALsvIyJCLi4smTpyolJQU7dmzR5999pl27dqlEiVKKCkpSatXr1ZcXJyef/55s+PiDsN/kYEcfPDBB6pfv77ee+899evXT+vXr5d0+RKL8fHxJqcDgPwj8x/3CxcuVPv27eXk5KT58+c7tiv08fHRoUOHdPr0aTNj4g5FkQX+n91ulyStXLlSY8eO1dKlSzVu3Dg5OzuratWqysjI0Pz58/X1119zZRoA+H9OTk4yDEMVKlRQSkqKJOmPP/5Qu3btJElpaWn6/fff1bhxYzNj4g5FkQX+X2Y5nT17turXr6+oqCitWbNG1atXl5+fn5ydnZWenq61a9dyzXAA+AebzaZHHnlEc+bM0VdffSUnJyfVqFFDSUlJmjp1qux2u1q1amV2TNyBWCML/L/Mq9JcuHBBxYsXlyTNmTNHd911l+OYLVu2OC6KAAAFXeaJXkeOHFFUVJRatWql7t27y26364UXXlBsbKzi4uI0cuRIJgBwSzAjC/xL586d9dtvvykhIUF///23unXrJknatGmTNm3apPvuu8/khACQP2T+Jqtbt27as2eP3n33Xe3evVsjRoxQXFycateurVmzZjk+R4G8xvZbwL8YhqGnn35aU6dOlSS9/PLLKlKkiD7//HM1bdpUU6ZMMTkhAOQfiYmJKlu2rLZs2aKwsDCz46CAYWkBIOnSpUtydXXVoEGD1KRJE33++ed64oknNGvWLP3www+y2Wzq3bu3nn32WbOjAkC+kLmswMnJSb1799bvv/+epchmZGQ4lmwBtwpFFpDk6uoqSZo0aZIiIyMlSc2aNVOtWrXk7u4uDw8PM+MBQL5jt9vl7Oys119/XePHj1e5cuXk6+urqKgo+fj4UGJxW1BkUeBdunTJsQ/iW2+9pbS0NEmXZxt8fHxkt9sdMw8AgMsyi2qzZs104cIFrVy5Uu3atVOpUqXUtGlTtW3bVpGRkapYsSKfn7hlWCOLAivzKl1ff/21SpcurTNnzqhPnz7y9vbWzz//rPDw8ByPBwDkbNu2bVq4cKEWLFigzZs3KykpSQkJCfL39zc7Gu5QFFkUWJnFtFSpUho6dKhKlCihDz74QPv379eBAwdUpUoVtW7dWh07dlR0dLRj029mFgAgq7Nnz+rChQvy8/PLMrZz507VqVPHxGS401FkUaBlZGTI09NTe/bsUVBQkI4dO6YTJ05oz549+uOPP/T777/rwIEDSkhI0PLlyx2XXASAgizzH/UJCQl699139ffffyslJUXFixfXXXfdpSeeeEK+vr5mx0QBQJFFgZT5Ibx06VI98MADSkpKynZMUlKSTp06pcOHD2vr1q3q3r27vLy8TEgLAPlT69atFR8fr8aNG6tYsWI6cuSINm3apPbt22v48OFyc3MzOyLucJzshQIps8jOnz9fKSkpatiwocLCwtSkSRM1bdpUlSpVko+Pj3x8fFS2bFk1btyY9bEAoP8ty1q9erViYmKybLt1+vRp/fDDD+rTp48aNGigjh07mpwWdzpmZFEgZX4Qly5dWu3atVNwcLC2bNmiuLg4nTt3TsWLF1etWrXUvHlzNWjQQCVLlmR9LADof5+fI0eO1PLly7V48eJsx/Tp00enTp3Sd999Z0JCFCTMyKJAcnJy0qlTp3T8+HGNHj1a7u7uOnr0qPbv36+dO3dqx44d2rVrl9auXavDhw9r6dKlqlmzptmxAcB0mfNflSpV0rhx4zRr1iw99NBDWXZ2SUhIUIkSJcyMiQKCIosCJ3NmdebMmfL19VWhQoUkSaVLl1bp0qXVrFkznTt3TocPH9aePXu0a9cu1ahRw+TUAJA/ZO4f27FjR/3000966623FBcXp2bNmunSpUuaMWOG/vrrLw0aNMjkpCgIWFqAAmvevHk6ceKEevbs6bjogSSuRgMA/5I5AbB69WqdP39erVu3liQdPnxY7733nr799ludOHFCpUqVUvHixdW/f391797d5NQoCCiygJRt/avdbpfdbpfNZqPYAijwMjIy5OzsrLvuuktNmzbVkCFDJEkXLlxwXML74MGDOnDggCpVqqTAwEAz46IAocgCuvwhvWfPHvn6+iooKMjsOACQL3l6eurXX39VVFSUJOmhhx7Ss88+q2bNmpkbDAUWRRYFUuZJCSdPntTHH3+sadOmqXTp0vL391e5cuVUs2ZNlStXTuXLl1exYsXMjgsApvvzzz/VuHFjJScny2azKTU1VUWKFNH27dtVuXJlSdl/uwXcamyMiQLJbrdLkoYNG6alS5dq1KhRcnFx0e+//665c+eqX79+euaZZ/TFF1+YnBQAzJX5efnjjz8qIiLCUVSXLl2qihUrOkqsJEosbjuKLAokF5fLG3bMnj1bgwYN0iOPPKLU1FS988472rt3r+rUqSN3d3fVqlXL5KQAkD/8+OOPWrt2rfr376/Fixdr6tSpatCggdmxUMCx/RYKrIMHD8rFxUXR0dFKSUnRgQMHHHvF9uvXTytWrFD9+vVNTgkA5srcG/bLL7/UjBkz9PPPP2vcuHEyDEMhISF6/fXXFRUVpYoVK8rPz0++vr7mBkaBwowsCqwzZ86oWbNmSkhI0KFDh1SiRAmdP39ekuTt7a3p06fL09PT5JQAkD9UrlxZb775pjZv3qxLly5p+fLlatu2rb766it16NBBDRs21H333ef4HAVuB072QoF14cIFxcbGyt/fX56ennr44Yfl6uqq6OhoffXVV6pZsyZrZAHg/2VkZMhmszlmaP/p1KlTmjdvnjZu3KhPP/3UhHQoqCiyKLDefvttPf300479Dn/88Ue99dZbOn36tFq3bq3//Oc/qlSpkskpASD/SE1NVVxcnFJTU3Xp0iUFBgYqODiY317BNBRZFCiZW8OsW7fOsTbW09Mzy5m2e/fuVVhYGBdCAIB/6devnyZPnixJCg0NVcWKFRUREaFq1aqpRIkSqlu3rtzc3ExOiYKEk71QoGQW1iJFiujpp59WamqqvLy8lJGRIeny5WnLlStnZkQAyFcy993+9ddf9fXXX2vevHmqXr26Fi9erKVLl+q7777T5MmT5e/vr02bNpkdFwUMRRYFSuZlFhcuXKhff/1VkyZN0quvvppl9jU9Pd2xPRcAFHSZEwDbt2/XPffco7Zt20qSunfvru7du0u6fLGEHTt28Jss3HYsLUCBY7fb1bBhQ8XFxSkhIUERERHq2LGjOnTowL6xAHAFCQkJGjVqlPr376/Q0NAcj+HKXrjdKLIokM6dO6e4uDht3bpVy5Yt04oVK7Rv3z55eHioadOm+vnnn82OCAD5hmEY2rJli7p27apixYqpc+fOqlmzpipUqKCAgACz46EAo8iiwMhc5/Xuu++qdu3aatmypaTLyw2Sk5N18OBBrVy5UomJiRo+fLjJaQHAfJnLsZYsWaJ+/frp4sWL8vHxkbOzs7y8vFSyZEmVLVtWERER6ty5s9lxUQBRZFFgpKamqlChQnJzc9PMmTN13333Zfs1GOtjAeB/Movs/fffL3d3d02fPl2StH79eq1bt05btmzR5s2b1apVK3300Ucmp0VBxH+xUSAcPXpUr7zyisqWLSsXFxeVLVvW8QH9T9HR0Zo1a5ZKlSplUlIAyD8yPyOrV6+u0qVLO/7h37BhQzVs2FCSdOLECV24cMG0jCjYKLIoEPbv3699+/Zp9erVSk9P19ChQ1W6dGlVrlxZ1atXV/ny5bVv3z79/vvvlFgA+IekpCTFxsZqxYoV6tSpk4oXL57ldn9/f5OSASwtQAHzzDPP6OzZsypevLj++usvJScnq0iRInJxcdHBgwfVvHlzx2bfAABpxYoV6tOnjxISElS8eHG1atVKtWvXVt26dVWlShW5urqaHREFGEUWBULmiV7Hjh1TcHCwJCktLU1//vmn1q9fr71796pBgwZq0aKFgoKCTE4LAPlHSkqKNm7cqL1792rLli2KjY3V6dOn5ebmJicnJ/Xp04cTvWAaiizueJkndO3Zs0eDBw/W9OnTuYQiAOTSsWPHtGXLFm3dulXr1q3Tiy++qOjoaLNjoYCiyKLA2L59u9q1a6fevXvrlVdeUXp6uuNXYidPnpTdbmc/RAD4l9TUVP3888/KyMhQ6dKlFRERocKFC0u6vKuBk5MTF0GAaZzMDgDcLlWrVtWQIUM0ZcoULVy4UK6uroqJidEHH3ygRo0asXcsAPy/jIwMSdKaNWv08MMP68UXX1Tfvn3VrFkzVahQQe+8845SUlLk7OxMiYWpmJFFgXPfffdp/fr1KleunFJSUnT+/Hk9+eST6tq1KzsWAID+t39ss2bNFBQUpGeffVbR0dGKj4/XlClTNG7cOA0bNkw9e/bksrQwFUUWd7TMD+O0tDStX79eU6dO1YEDB7Ru3Tqlp6dr3Lhx6tOnj9kxASDfsdvtKlSokLZt26bw8PAshXXgwIFat26dvv/+e8cJtIAZWFqAO1rmZt7Dhg1Tx44dlZiYqO7du2vPnj1q3769tmzZouTkZPHvOQDIat++fSpVqpS2bdsmSbLZbLLb7ZKkXr16adeuXZxXANNRZHFHmzt3ri5evKiOHTtqwYIF+vHHH9WtWzeVKVNGr776qlauXKmPP/5YNpuNMgsA/88wDJUvX16NGjXSCy+8oFWrViklJUVOTk66ePGiJk6cqLCwsGxXRwRuN5YW4I51+PBhRUZGKjY2Vl5eXpKkbdu2qXLlyo4P3xkzZujpp5/Wb7/9purVq5sZFwDynUOHDqlfv37avXu3SpcuLWdnZx04cEBeXl566aWX9PDDD5sdEQUcl6jFHSdzHdecOXMUFBTkKLHr16/X6NGjNWPGDEeR7dKli/bv30+JBVDgJScna9euXQoNDZWPj4/c3NwUEhKizz77TAsXLtTWrVuVmJioChUq6Mknn1RERITZkQGKLO48drtdzs7O+v7773XPPfc4xqdPn67z58/L1dXVUXbHjh2rtWvXmpgWAPKHadOmacCAAapbt64aNmyopk2bqly5cipfvryefPJJSVJ6erpcXKgOyD9YWoA7lpeXlzZu3KgqVapIkqpXr67//Oc/euaZZxxFtkmTJmrevDl7yAIo0DI/E5ctW6b58+dr/vz52rdvn0qXLq2wsDA1adJE0dHRKlu2rIoUKaJixYqx5RbyBYos7kjbtm1TjRo1tGbNGtWpU0dubm7y9fXVjh07VKJECdntdqWlpal48eL6/fffVa1aNbMjA0C+sWHDBvXu3Vvly5fXxYsXtW7dOp04cUKRkZEKCAjQ+++/r8qVK5sdE2BpAe5Mu3fvVmBgoAYPHqyiRYsqLS1NLi4uOnXqlIKCguTk5KS9e/fKZrNRYgFA/5uV3bFjhzp16qTvvvtOUVFRcnK6vMHRN998o6eeekplypSRt7e3yWmBy5iRxR0pIyNDhw4d0pYtW7RkyRLt3LlTCQkJKlasmPz9/VW3bl2tXLlS6enpWrp0qdlxAcB0drtdTk5OGj9+vCZOnKiYmBjHb688PDx0/vx5jRw5Uo0bN1br1q3NjgtIYkYWdyhnZ2eFhoYqNDRU9913ny5cuKDY2FitXbtWK1eu1PLly7Vu3TpNmjTJ7KgAkC9kzrwGBAQoOTlZ69atU8OGDeXh4SFJ8vT0VGJioiZPnkyRRb7BjCwKHMMwlJycrJ07d6pmzZqOD2kAwOWdCdq1a6ctW7aoZ8+eateunSIjIzVt2jQNGzZMH330kTp37mx2TEASRRYAAPxLRkaGhg0bpqVLl+rIkSOKj4+Xj4+PnnvuOQ0aNEju7u5mRwQkUWQBAMAVxMXFKS4uTi4uLvLx8WGnAuQ7FFkAAAq4zB0Ljhw5orVr1+rYsWPy8vJSzZo1VbFiRfn4+JgdEcgRRRYAACg9PV333HOPVq9erbJly8rLy0tOTk7y9/dX+fLlFRoaqh49eqhQoUJmRwUcKLIAABRgmdtu/fDDD+rTp4/Wrl2r4OBgbd68WRs2bNBff/2l/fv3Ky0tjUt6I99h+y0AAAqwzEvNJiQk6L777lNYWJgkqWHDhmrYsKEkKT4+XocOHTItI3AlTmYHAAAA5skssq6uroqLi9OePXuyHRMUFKS6deve7mjANbG0AACAAi4pKUl33XWXtm7dqlq1aumhhx5SRESEKlasqFKlSpkdD7giiiwAAAVcamqqZs6cqb179+qPP/5QYmKi3NzcVKJECZUpU0aRkZF6/PHHzY4JZMMaWQAACrhChQqpR48eki5vxbVlyxatW7dOmzdv1pIlS+Tq6mpyQiBnzMgCAAAZhqHExEQVL148y3hycrLOnz+vwMBAk5IBV0aRBQCgAEtPT9eSJUv07bffKj09XV5eXqpQoYLq16+v6tWrq2jRomZHBK6IIgsAQAGUkZEhZ2dnTZ8+XaNHj1apUqWUlpamDRs2qESJEkpKSlKpUqXUpEkTjRw50uy4QI7YfgsAgAJs3LhxatOmjX744QcFBwerXbt2mjhxokqWLKkTJ06ocuXKZkcErogiCwBAAeTs7CxJio2N1SOPPCJJWrlype677z41aNBAL7/8sho1aqTmzZubGRO4KoosAAAFVGxsrMqWLavExEQlJibKw8NDwcHBkqR69eppwYIF8vf3NzklcGWskQUAoIAxDEM2m03p6en67bffVKxYMYWGhur++++Xi4uL+vXrpx9++EFr1qzR1q1bzY4LXBFFFgCAAigpKUk+Pj5Zxn7++We9+eabOnv2rHx9fdW/f3/HsgMgP6LIAgBQgFy6dEmLFi3S+PHjderUKUVHR+ull15SQECAJOno0aOaP3++KlWqpOjoaJPTAlfHlb0AACgAMpcT/PLLL3r99dfl7e0tHx8fffDBBypcuLB69+6tH3/8UStXrtTp06e1ceNGHT9+3OzYwFUxIwsAQAGQuW9smzZtVK1aNY0ePVrnz59XkyZNtHfvXkVHRyspKUkREREqXLiwWrVqpWbNmpkdG7gqiiwAAAVIoUKF9Mcff6hq1aqSpGrVqiksLEyTJk1S8eLF5erqanJC4PqxtAAAgAJi27ZtOn/+vM6cOaO0tDS5ubnp0KFD+vXXXx1rZNPS0uTk5CQXFyoC8j/epQAAFBC7d+9WYGCgXn31VRUtWlQXL16Uq6ur4uPj5e/vL5vNJjc3N7NjAteNpQUAABQQGRkZOnTokLZs2aIlS5Zo586dSkhIULFixRQQEKBq1aqpatWquuuuu1S8eHGz4wLXRJEFAKCAunDhgmJjY7V27VqtXLlS8fHx2rdvnyZPnqwWLVqYHQ+4JoosAACQYRhKTk7Wjh07FBERIU9PT7MjAddEkQUAAIAlOZkdAAAAAMgNiiwAAAAsiSILAAAAS6LIAgAAwJIosgAAALAkiiwAAAAsiSILAAAAS6LIAgAAwJL+Dx9B0O1b2QWoAAAAAElFTkSuQmCC",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 700x1000 with 1 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    },
-    {
-     "data": {
-      "text/plain": [
-       "<Figure size 640x480 with 0 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "from qsprpred.plotting.classification import MetricsPlot\n",
-    "\n",
-    "plot = MetricsPlot(fitted_models)\n",
-    "figs, summary = plot.make(save=True, show=True, property_name=\"pchembl_value_Median_class\", out_dir=\"qspr/models/\")"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": []
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Again, the summary contains the data frame with the metrics used to create the plots:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 37,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
-       "        vertical-align: middle;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
-       "        vertical-align: top;\n",
-       "    }\n",
-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Metric</th>\n",
-       "      <th>Model</th>\n",
-       "      <th>TestSet</th>\n",
-       "      <th>Value</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td>f1_score</td>\n",
-       "      <td>ExtraTreesClassifier</td>\n",
-       "      <td>CV1.0</td>\n",
-       "      <td>0.869565</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>matthews_corrcoef</td>\n",
-       "      <td>ExtraTreesClassifier</td>\n",
-       "      <td>CV1.0</td>\n",
-       "      <td>0.657176</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>precision_score</td>\n",
-       "      <td>ExtraTreesClassifier</td>\n",
-       "      <td>CV1.0</td>\n",
-       "      <td>0.856481</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>recall_score</td>\n",
-       "      <td>ExtraTreesClassifier</td>\n",
-       "      <td>CV1.0</td>\n",
-       "      <td>0.883055</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>accuracy_score</td>\n",
-       "      <td>ExtraTreesClassifier</td>\n",
-       "      <td>CV1.0</td>\n",
-       "      <td>0.838192</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>67</th>\n",
-       "      <td>matthews_corrcoef</td>\n",
-       "      <td>RandomForestClassifier</td>\n",
-       "      <td>IND</td>\n",
-       "      <td>0.541155</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>68</th>\n",
-       "      <td>precision_score</td>\n",
-       "      <td>RandomForestClassifier</td>\n",
-       "      <td>IND</td>\n",
-       "      <td>0.836100</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>69</th>\n",
-       "      <td>recall_score</td>\n",
-       "      <td>RandomForestClassifier</td>\n",
-       "      <td>IND</td>\n",
-       "      <td>0.775000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>70</th>\n",
-       "      <td>accuracy_score</td>\n",
-       "      <td>RandomForestClassifier</td>\n",
-       "      <td>IND</td>\n",
-       "      <td>0.774453</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>71</th>\n",
-       "      <td>calibration_error</td>\n",
-       "      <td>RandomForestClassifier</td>\n",
-       "      <td>IND</td>\n",
-       "      <td>0.225547</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>72 rows × 4 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "               Metric                   Model TestSet     Value\n",
-       "0            f1_score    ExtraTreesClassifier   CV1.0  0.869565\n",
-       "1   matthews_corrcoef    ExtraTreesClassifier   CV1.0  0.657176\n",
-       "2     precision_score    ExtraTreesClassifier   CV1.0  0.856481\n",
-       "3        recall_score    ExtraTreesClassifier   CV1.0  0.883055\n",
-       "4      accuracy_score    ExtraTreesClassifier   CV1.0  0.838192\n",
-       "..                ...                     ...     ...       ...\n",
-       "67  matthews_corrcoef  RandomForestClassifier     IND  0.541155\n",
-       "68    precision_score  RandomForestClassifier     IND  0.836100\n",
-       "69       recall_score  RandomForestClassifier     IND  0.775000\n",
-       "70     accuracy_score  RandomForestClassifier     IND  0.774453\n",
-       "71  calibration_error  RandomForestClassifier     IND  0.225547\n",
-       "\n",
-       "[72 rows x 4 columns]"
-      ]
-     },
-     "execution_count": 37,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "summary"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "## Multitask Regression Model\n",
-    "Until now, the examples have show models that predict one property (single task). In addition to this we can also make multitask models that are trained with multiple different properties simultaneously. This can, for example, be a model that predicts the bioactivity on two or more proteins. Below, we will build a multitask model for 8 different human mGLU receptors."
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "Data on the mGLU receptors can also be found in the `Parkinsons` dataset. Here we specify that singletask is False, so that all the targets are set as properties to predict (see `datasets.py` for the exact code, note the now necessary imputation step):"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 38,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "[TargetProperty(name=O00222_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=O15303_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=P41594_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=Q13255_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=Q14416_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=Q14831_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=Q14832_imputed, task=REGRESSION),\n",
-       " TargetProperty(name=Q14833_imputed, task=REGRESSION)]"
-      ]
-     },
-     "execution_count": 38,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from datasets import Parkinsons\n",
-    "\n",
-    "dataset = Parkinsons(singletask=False)\n",
-    "dataset.targetProperties"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 39,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "data": {
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-       "    <tr style=\"text-align: right;\">\n",
-       "      <th>accession</th>\n",
-       "      <th>SMILES</th>\n",
-       "      <th>GABAAalpha</th>\n",
-       "      <th>NMDA</th>\n",
-       "      <th>O00222</th>\n",
-       "      <th>O15303</th>\n",
-       "      <th>P41594</th>\n",
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-       "      <th>Q14416</th>\n",
-       "      <th>Q14643</th>\n",
-       "      <th>Q14831</th>\n",
-       "      <th>...</th>\n",
-       "      <th>Q14833</th>\n",
-       "      <th>QSPRID</th>\n",
-       "      <th>O00222_imputed</th>\n",
-       "      <th>O15303_imputed</th>\n",
-       "      <th>P41594_imputed</th>\n",
-       "      <th>Q13255_imputed</th>\n",
-       "      <th>Q14416_imputed</th>\n",
-       "      <th>Q14831_imputed</th>\n",
-       "      <th>Q14832_imputed</th>\n",
-       "      <th>Q14833_imputed</th>\n",
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-       "      <th>tutorial_data_0</th>\n",
-       "      <td>Brc1cc(-c2nc(-c3ncccc3)no2)ccc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
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-       "      <td>NaN</td>\n",
-       "      <td>6.930</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
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-       "      <th>tutorial_data_7</th>\n",
-       "      <td>Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.542</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_7</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>5.54200</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.833706</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8</th>\n",
-       "      <td>Brc1cccc2c1ccc(C#Cc1ccccn1)n2</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.123</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
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-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_8</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.12300</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.833706</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_10</th>\n",
-       "      <td>C#CC(C)(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.770</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_10</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.770000</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.833706</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_11</th>\n",
-       "      <td>C#CC(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>6.502</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>tutorial_data_11</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.502000</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.833706</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>...</th>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "      <td>...</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8216</th>\n",
-       "      <td>c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>5.540</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
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-       "      <td>4.955192</td>\n",
-       "      <td>5.54000</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.833706</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8218</th>\n",
-       "      <td>c1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.370</td>\n",
-       "      <td>tutorial_data_8218</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.370000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8219</th>\n",
-       "      <td>c1csc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.000</td>\n",
-       "      <td>tutorial_data_8219</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.000000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8220</th>\n",
-       "      <td>c1n[nH]c2c1-c1c(CCC2)sc(NC2CCCCC2)n1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.888</td>\n",
-       "      <td>tutorial_data_8220</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.888000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>tutorial_data_8221</th>\n",
-       "      <td>c1ncnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>NaN</td>\n",
-       "      <td>...</td>\n",
-       "      <td>5.888</td>\n",
-       "      <td>tutorial_data_8221</td>\n",
-       "      <td>5.070667</td>\n",
-       "      <td>4.955192</td>\n",
-       "      <td>6.46138</td>\n",
-       "      <td>6.286032</td>\n",
-       "      <td>6.824711</td>\n",
-       "      <td>4.752146</td>\n",
-       "      <td>6.044017</td>\n",
-       "      <td>5.888000</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "<p>5228 rows × 21 columns</p>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "accession                                                     SMILES  \\\n",
-       "QSPRID                                                                 \n",
-       "tutorial_data_0                      Brc1cc(-c2nc(-c3ncccc3)no2)ccc1   \n",
-       "tutorial_data_7                     Brc1cccc(Sc2ccnc(-c3ccccn3)n2)c1   \n",
-       "tutorial_data_8                        Brc1cccc2c1ccc(C#Cc1ccccn1)n2   \n",
-       "tutorial_data_10    C#CC(C)(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O   \n",
-       "tutorial_data_11       C#CC(C)Nc1c2c(ncc1)sc1c2ncn(-c2ccc(C)cc2)c1=O   \n",
-       "...                                                              ...   \n",
-       "tutorial_data_8216          c1cnc(Oc2cccc(-n3nnc(-c4ncccc4)n3)c2)cc1   \n",
-       "tutorial_data_8218                c1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1   \n",
-       "tutorial_data_8219               c1csc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)n1   \n",
-       "tutorial_data_8220              c1n[nH]c2c1-c1c(CCC2)sc(NC2CCCCC2)n1   \n",
-       "tutorial_data_8221              c1ncnc(Nc2nc3c(CCCc4c-3cn[nH]4)s2)c1   \n",
-       "\n",
-       "accession           GABAAalpha  NMDA  O00222  O15303  P41594  Q13255  Q14416  \\\n",
-       "QSPRID                                                                         \n",
-       "tutorial_data_0            NaN   NaN     NaN     NaN   6.930     NaN     NaN   \n",
-       "tutorial_data_7            NaN   NaN     NaN     NaN   5.542     NaN     NaN   \n",
-       "tutorial_data_8            NaN   NaN     NaN     NaN   6.123     NaN     NaN   \n",
-       "tutorial_data_10           NaN   NaN     NaN     NaN     NaN   6.770     NaN   \n",
-       "tutorial_data_11           NaN   NaN     NaN     NaN     NaN   6.502     NaN   \n",
-       "...                        ...   ...     ...     ...     ...     ...     ...   \n",
-       "tutorial_data_8216         NaN   NaN     NaN     NaN   5.540     NaN     NaN   \n",
-       "tutorial_data_8218         NaN   NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8219         NaN   NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8220         NaN   NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "tutorial_data_8221         NaN   NaN     NaN     NaN     NaN     NaN     NaN   \n",
-       "\n",
-       "accession           Q14643  Q14831  ...  Q14833              QSPRID  \\\n",
-       "QSPRID                              ...                               \n",
-       "tutorial_data_0        NaN     NaN  ...     NaN     tutorial_data_0   \n",
-       "tutorial_data_7        NaN     NaN  ...     NaN     tutorial_data_7   \n",
-       "tutorial_data_8        NaN     NaN  ...     NaN     tutorial_data_8   \n",
-       "tutorial_data_10       NaN     NaN  ...     NaN    tutorial_data_10   \n",
-       "tutorial_data_11       NaN     NaN  ...     NaN    tutorial_data_11   \n",
-       "...                    ...     ...  ...     ...                 ...   \n",
-       "tutorial_data_8216     NaN     NaN  ...     NaN  tutorial_data_8216   \n",
-       "tutorial_data_8218     NaN     NaN  ...   5.370  tutorial_data_8218   \n",
-       "tutorial_data_8219     NaN     NaN  ...   5.000  tutorial_data_8219   \n",
-       "tutorial_data_8220     NaN     NaN  ...   5.888  tutorial_data_8220   \n",
-       "tutorial_data_8221     NaN     NaN  ...   5.888  tutorial_data_8221   \n",
-       "\n",
-       "accession          O00222_imputed  O15303_imputed  P41594_imputed  \\\n",
-       "QSPRID                                                              \n",
-       "tutorial_data_0          5.070667        4.955192         6.93000   \n",
-       "tutorial_data_7          5.070667        4.955192         5.54200   \n",
-       "tutorial_data_8          5.070667        4.955192         6.12300   \n",
-       "tutorial_data_10         5.070667        4.955192         6.46138   \n",
-       "tutorial_data_11         5.070667        4.955192         6.46138   \n",
-       "...                           ...             ...             ...   \n",
-       "tutorial_data_8216       5.070667        4.955192         5.54000   \n",
-       "tutorial_data_8218       5.070667        4.955192         6.46138   \n",
-       "tutorial_data_8219       5.070667        4.955192         6.46138   \n",
-       "tutorial_data_8220       5.070667        4.955192         6.46138   \n",
-       "tutorial_data_8221       5.070667        4.955192         6.46138   \n",
-       "\n",
-       "accession           Q13255_imputed  Q14416_imputed  Q14831_imputed  \\\n",
-       "QSPRID                                                               \n",
-       "tutorial_data_0           6.286032        6.824711        4.752146   \n",
-       "tutorial_data_7           6.286032        6.824711        4.752146   \n",
-       "tutorial_data_8           6.286032        6.824711        4.752146   \n",
-       "tutorial_data_10          6.770000        6.824711        4.752146   \n",
-       "tutorial_data_11          6.502000        6.824711        4.752146   \n",
-       "...                            ...             ...             ...   \n",
-       "tutorial_data_8216        6.286032        6.824711        4.752146   \n",
-       "tutorial_data_8218        6.286032        6.824711        4.752146   \n",
-       "tutorial_data_8219        6.286032        6.824711        4.752146   \n",
-       "tutorial_data_8220        6.286032        6.824711        4.752146   \n",
-       "tutorial_data_8221        6.286032        6.824711        4.752146   \n",
-       "\n",
-       "accession           Q14832_imputed  Q14833_imputed  \n",
-       "QSPRID                                              \n",
-       "tutorial_data_0           6.044017        5.833706  \n",
-       "tutorial_data_7           6.044017        5.833706  \n",
-       "tutorial_data_8           6.044017        5.833706  \n",
-       "tutorial_data_10          6.044017        5.833706  \n",
-       "tutorial_data_11          6.044017        5.833706  \n",
-       "...                            ...             ...  \n",
-       "tutorial_data_8216        6.044017        5.833706  \n",
-       "tutorial_data_8218        6.044017        5.370000  \n",
-       "tutorial_data_8219        6.044017        5.000000  \n",
-       "tutorial_data_8220        6.044017        5.888000  \n",
-       "tutorial_data_8221        6.044017        5.888000  \n",
-       "\n",
-       "[5228 rows x 21 columns]"
-      ]
-     },
-     "execution_count": 39,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "dataset.getDF()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "Feature calculation and dataset preparation is the same as for single task models. During splitting compounds are assigned to the training or test set (not individual datapoints)."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 41,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Molecular descriptors already exist in tutorial_data. Use `recalculate=True` to overwrite them.\n",
-      "Missing values filled with nan\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "==================================== Split ====================================\n",
-      "Clustering method: precomputed clusters\n",
-      "Original tasks: ['O00222_imputed', 'O15303_imputed', 'P41594_imputed', 'Q13255_imputed', 'Q14416_imputed', 'Q14831_imputed', 'Q14832_imputed', 'Q14833_imputed']\n",
-      "Tasks for balancing: ['O00222_imputed', 'O15303_imputed', 'P41594_imputed', 'Q13255_imputed', 'Q14416_imputed', 'Q14831_imputed', 'Q14832_imputed', 'Q14833_imputed']\n",
-      "Subset sizes: [0.8, 0.2]\n",
-      "Number of initial clusters: 52\n",
-      "-------------------------------- Split balance --------------------------------\n",
-      "O00222_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "O15303_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "P41594_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Q13255_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Q14416_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Q14831_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Q14832_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Q14833_imputed balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Overall balance:\t 0: 0.81\t 1: 0.19\t\n",
-      "Balance score: 0.0068\n",
-      "----------------------- Min. inter-set Tanimoto distance -----------------------\n",
-      "Subset 0: 0.40 +/- 0.15 | 0.38\n",
-      "Subset 1: 0.30 +/- 0.12 | 0.28\n",
-      "Chemical dissimilarity score: 0.28\n",
-      "Number of samples train set: 4218\n",
-      "Number of samples test set: 1010\n"
-     ]
-    }
-   ],
-   "source": [
-    "from qsprpred.data.utils.descriptorsets import FingerprintSet\n",
-    "from qsprpred.data.utils.descriptorcalculator import MoleculeDescriptorsCalculator\n",
-    "from sklearn.preprocessing import StandardScaler as Scaler\n",
-    "from qsprpred.data.utils.datasplitters import RandomSplit\n",
-    "\n",
-    "# Calculate MorganFP and physicochemical properties\n",
-    "feature_calculator = MoleculeDescriptorsCalculator(desc_sets = [FingerprintSet(fingerprint_type=\"MorganFP\", radius=3, nBits=2048)])\n",
-    "\n",
-    "# Do a random split for creating the train (85%) and test set (15%)\n",
-    "rand_split = RandomSplit(test_fraction=0.2)\n",
-    "\n",
-    "# calculate compound features and split dataset into train and test\n",
-    "dataset.prepareDataset(\n",
-    "    split=rand_split,\n",
-    "    feature_calculators=[feature_calculator],\n",
-    "    feature_standardizer=Scaler()\n",
-    ")\n",
-    "\n",
-    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
-    "print(f\"Number of samples test set: {len(dataset.y_ind)}\")"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Save the dataset again to avoid recalculation later if needed:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 42,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "dataset.save()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "### Training the model\n",
-    "We use a KNN model because it is relatively fast and the previously shown PLS does not work with multiple-tasks. Because hyperparameter optimization works the same as for single task models, we skip this step here."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 43,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "c:\\Users\\helle\\anaconda3\\envs\\qsprpred\\lib\\site-packages\\sklearn\\base.py:420: UserWarning: X does not have valid feature names, but StandardScaler was fitted with feature names\n",
-      "  warnings.warn(\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "'qspr/models/KNN_REG_MT/KNN_REG_MT_meta.json'"
-      ]
-     },
-     "execution_count": 43,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.sklearn import SklearnModel\n",
-    "from sklearn.neighbors import KNeighborsRegressor\n",
-    "from qsprpred.models.assessment_methods import CrossValAssessor, TestSetAssessor\n",
-    "\n",
-    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
-    "model = SklearnModel(base_dir = 'qspr/models/', data=dataset, alg = KNeighborsRegressor, name='KNN_REG_MT')\n",
-    "\n",
-    "CrossValAssessor()(model)\n",
-    "TestSetAssessor()(model)\n",
-    "\n",
-    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
-    "model.fitAttached()\n",
-    "\n",
-    "# and save the model\n",
-    "model.save()"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "### Model evaluation\n",
-    "Here we show how to calculate the metrics that are compatible with multitask model results using an `SklearnMetric` object. Currently, imputed values are included in this analysis, the option to remove these from the analysis will be added soon."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 44,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "{'explained_variance': 0.18205202089524775,\n",
-       " 'neg_mean_absolute_error': -0.1308177025136682,\n",
-       " 'neg_mean_squared_error': -0.11391575796687789,\n",
-       " 'neg_root_mean_squared_error': -0.2959438570900232,\n",
-       " 'neg_mean_squared_log_error': -0.002418924771861469,\n",
-       " 'neg_median_absolute_error': -0.01834224816849811,\n",
-       " 'r2': 0.15745370390628932,\n",
-       " 'neg_mean_absolute_percentage_error': -0.022448940321914926,\n",
-       " 'ModelName': 'KNN_REG_MT'}"
-      ]
-     },
-     "execution_count": 44,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.metrics import SklearnMetric\n",
-    "\n",
-    "import pandas as pd\n",
-    "\n",
-    "# get independent test set\n",
-    "df = pd.read_table(\"qspr/models/KNN_REG_MT/KNN_REG_MT.ind.tsv\")\n",
-    "\n",
-    "# column names containing original labels or predictions for the tasks\n",
-    "label_names = [i for i in list(df.columns.values) if \"imputed_Label\" in i] \n",
-    "pred_names = [i for i in list(df.columns.values) if \"imputed_Prediction\" in i]\n",
-    " \n",
-    "# turn into np array\n",
-    "ylabel = df[label_names].to_numpy()\n",
-    "ypred = df[pred_names].to_numpy()\n",
-    "\n",
-    "# get metrics\n",
-    "summary = {}\n",
-    "for metric in SklearnMetric.multiTaskRegressionMetrics:\n",
-    "    scorer = SklearnMetric.getMetric(metric)\n",
-    "    score = scorer(ylabel, ypred)\n",
-    "    summary[metric]= score\n",
-    "\n",
-    "summary[\"ModelName\"] = model.name\n",
-    "\n",
-    "summary"
-   ]
-  },
-  {
-   "attachments": {},
-   "cell_type": "markdown",
-   "metadata": {},
-   "source": [
-    "Lastly we plot the predicted pchembl values against the experimental results, to visualize model performance. This is not yet integrate in the QSPRPred plotting functions so the code is more extensive than for the single task models:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "image/png": 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",
-      "text/plain": [
-       "<Figure size 500x700 with 2 Axes>"
-      ]
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "import math\n",
-    "from matplotlib import pyplot as plt\n",
-    "from sklearn import metrics\n",
-    "import numpy as np\n",
-    "\n",
-    "property_name = \"pChEMBL\"\n",
-    "\n",
-    "my_cmap = [\"#12517B\", \"#88002A\"]\n",
-    "\n",
-    "plt.figure(figsize=(5, 7))\n",
-    "cate = [\"qspr/models/KNN_REG_MT/KNN_REG_MT.cv.tsv\", \"qspr/models/KNN_REG_MT/KNN_REG_MT.ind.tsv\"]\n",
-    "cate_names = [\"cv\", \"ind\"]\n",
-    "ret_axes = []\n",
-    "summary = {\"ModelName\": [], \"R2\": [], \"RMSE\": [], \"Set\": []}\n",
-    "\n",
-    "\n",
-    "for m, mymodel in enumerate([model]):\n",
-    "    min_val = 0\n",
-    "    max_val = 10\n",
-    "    for j, cate_name in enumerate(['Cross Validation', 'Independent Test']):\n",
-    "        ax = plt.subplot(2, len([model]), m + j + 1)\n",
-    "        ret_axes.append(ax)\n",
-    "        #todo create subplot show can show both plots\n",
-    "        df = pd.read_table(cate[j])\n",
-    "        # column names containing original labels or predictions for the tasks\n",
-    "        label_names = [i for i in list(df.columns.values) if \"imputed_Label\" in i]  #df[f\"{property_name}_imputed_Label\"]\n",
-    "        labels = [i.replace(\"_imputed_Label\", '') for i in label_names]\n",
-    "        pred_names = [i for i in list(df.columns.values) if \"imputed_Prediction\" in i] #df[f\"{property_name}_imputed_Prediction\"]\n",
-    "\n",
-    "        # # create mask with True if original value, False where no value in original  dataset\n",
-    "        # #TODO currently does not work because do not have df with cv / ind, nee\n",
-    "        # array = df_that_does_not_exist_yet[labels].to_numpy()\n",
-    "        # mask = ~np.isnan(array)\n",
-    "        \n",
-    "        # turn ylabel and ypred into np array\n",
-    "        ylabel = df[label_names].to_numpy()\n",
-    "        c = np.zeros(ylabel.shape)\n",
-    "        for k in range(c.shape[1]):\n",
-    "            c[:, k] = k\n",
-    "        c.flatten()\n",
-    "        \n",
-    "        ylabel = ylabel.flatten()\n",
-    "        ypred = df[pred_names].to_numpy().flatten()\n",
-    "        # mask = mask.flatten()\n",
-    "\n",
-    "        # # no markers for inputed values\n",
-    "        # area = np.full(mask.shape, 5)\n",
-    "        # area1 = np.ma.masked_where(mask, area)\n",
-    "        # scatter = plt.scatter(\n",
-    "        #     ylabel,\n",
-    "        #     ypred,\n",
-    "        #     s=area1,\n",
-    "        #     c=c)\n",
-    "\n",
-    "        scatter = plt.scatter(\n",
-    "            ylabel,\n",
-    "            ypred,\n",
-    "            s=5,\n",
-    "            c=c)\n",
-    "        coef = metrics.r2_score(ylabel, ypred)\n",
-    "        rmse = metrics.mean_squared_error(\n",
-    "            ylabel, ypred,\n",
-    "            squared=False)\n",
-    "        summary[\"R2\"].append(coef)\n",
-    "        summary[\"RMSE\"].append(rmse)\n",
-    "        summary[\"Set\"].append(cate_names[j])\n",
-    "        summary[\"ModelName\"].append(model.name)\n",
-    "\n",
-    "        plt.title(f'{model} {cate_name}')\n",
-    "        plt.xlabel(f\"Experimental {property_name}\")\n",
-    "        plt.ylabel(f\"Predicted {property_name}\")\n",
-    "        min_val_now = math.floor(\n",
-    "            min(np.concatenate((ylabel, ypred))))\n",
-    "        max_val_now = math.ceil(\n",
-    "            max(np.concatenate((ylabel, ypred))))\n",
-    "        if min_val_now < min_val:\n",
-    "            min_val = min_val_now\n",
-    "        if max_val_now > max_val:\n",
-    "            max_val = max_val_now\n",
-    "        pad = (max_val - min_val) * 0.1\n",
-    "        plt.plot(\n",
-    "            [min_val - pad, max_val + pad],\n",
-    "            [min_val - pad, max_val + pad],\n",
-    "            lw=2, linestyle='--', color='black')\n",
-    "\n",
-    "        handles, _ = scatter.legend_elements()\n",
-    "\n",
-    "        plt.legend(handles, labels, title=\"Tasks\", loc='center left', bbox_to_anchor=(1, 0.5))\n",
-    "plt.tight_layout()\n",
-    "plt.subplots_adjust(wspace=0.3, hspace=0.5)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 45,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "{'explained_variance': 0.18205202089524775,\n",
-       " 'neg_mean_absolute_error': -0.1308177025136682,\n",
-       " 'neg_mean_squared_error': -0.11391575796687789,\n",
-       " 'neg_root_mean_squared_error': -0.2959438570900232,\n",
-       " 'neg_mean_squared_log_error': -0.002418924771861469,\n",
-       " 'neg_median_absolute_error': -0.01834224816849811,\n",
-       " 'r2': 0.15745370390628932,\n",
-       " 'neg_mean_absolute_percentage_error': -0.022448940321914926,\n",
-       " 'ModelName': 'KNN_REG_MT'}"
-      ]
-     },
-     "execution_count": 45,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "summary"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "QSPR",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.10"
-  },
-  "vscode": {
-   "interpreter": {
-    "hash": "94705a58f524c087a931a9ce6f495e1949dee73c0ce5184db4e9163355ae55e1"
-   }
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 4
-}
diff --git a/tutorial/tutorial_usage.ipynb b/tutorial/tutorial_usage.ipynb
deleted file mode 100644
index 70ef606a..00000000
--- a/tutorial/tutorial_usage.ipynb
+++ /dev/null
@@ -1,158 +0,0 @@
-{
- "cells": [
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "# Get Prediction for Molecules with Pretrained QSAR Model\n",
-    "To predict the bioactivity of a molecule for a protein target (in this case the GABA(A) receptor subunit alpha that we trained in the previous tutorial) you need to input the molecules as a list of SMILES strings to the deserialized model. In this tutorial we are going to predict the bioactivity of rotenone (SMILES: 'CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC') and flumazenil, a known antagonist (SMILES: 'CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C')."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 1,
-   "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "<qsprpred.models.models.QSPRsklearn at 0x23cc1b3eb00>"
-      ]
-     },
-     "execution_count": 1,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "from qsprpred.models.interfaces import QSPRModel\n",
-    "\n",
-    "# give path to saved metadata of the model and load it\n",
-    "metadata_path = './qspr/models/PLS_REG/PLS_REG_meta.json'\n",
-    "predictor = QSPRModel.fromFile(metadata_path)\n",
-    "predictor"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "The `predictMols` method takes a list of SMILES strings as input and returns a list of predicted bioactivities. The `predictMols` method also makes sure the correct descriptors and preprocessing steps are done for the molecules:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 2,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n",
-      "c:\\Users\\helle\\anaconda3\\envs\\qsprpred\\lib\\site-packages\\sklearn\\base.py:413: UserWarning: X has feature names, but StandardScaler was fitted without feature names\n",
-      "  warnings.warn(\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "array([[7.26458602],\n",
-       "       [7.87888041]])"
-      ]
-     },
-     "execution_count": 2,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "# predict the mulecules\n",
-    "predictor.predictMols([\n",
-    "    'CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC', # rotenone\n",
-    "    'CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C' # flumazenil\n",
-    "])"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "metadata": {
-    "collapsed": false
-   },
-   "source": [
-    "Note that it is also possible to load the model with a name and path to the base directory of the model:"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 4,
-   "metadata": {
-    "collapsed": false
-   },
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Missing values filled with nan\n",
-      "c:\\Users\\helle\\anaconda3\\envs\\qsprpred\\lib\\site-packages\\sklearn\\base.py:413: UserWarning: X has feature names, but StandardScaler was fitted without feature names\n",
-      "  warnings.warn(\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "array([[7.26458602],\n",
-       "       [7.87888041]])"
-      ]
-     },
-     "execution_count": 4,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
-   "source": [
-    "# load model with name and path to base directory\n",
-    "from qsprpred.models.sklearn import SklearnModel\n",
-    "\n",
-    "predictor = SklearnModel(name='PLS_REG', base_dir='qspr/models')\n",
-    "predictor.predictMols([\n",
-    "    'CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC', # rotenone\n",
-    "    'CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C' # flumazenil\n",
-    "])"
-   ]
-  }
- ],
- "metadata": {
-  "kernelspec": {
-   "display_name": "qspr",
-   "language": "python",
-   "name": "python3"
-  },
-  "language_info": {
-   "codemirror_mode": {
-    "name": "ipython",
-    "version": 3
-   },
-   "file_extension": ".py",
-   "mimetype": "text/x-python",
-   "name": "python",
-   "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3",
-   "version": "3.10.10"
-  },
-  "vscode": {
-   "interpreter": {
-    "hash": "eb304cfc50cf47add265a24de432bf9165bd65c807f1caa6895b51873f6e21ac"
-   }
-  }
- },
- "nbformat": 4,
- "nbformat_minor": 4
-}
diff --git a/tutorials/README.md b/tutorials/README.md
new file mode 100644
index 00000000..67f3fc63
--- /dev/null
+++ b/tutorials/README.md
@@ -0,0 +1,72 @@
+## Table of Contents
+
+This
+tutorial tries to cover the most important topics on the various features of QSPRpred,
+but it is not exhaustive. For more detailed information on the features of the package,
+please refer to the [documentation](https://cddleiden.github.io/QSPRpred/docs/).The
+tutorial data is available
+through [OneDrive](https://1drv.ms/u/s!AtzWqu0inkjX3QRxXOkTFNv7IV7u?e=PPj0O2) (just
+unzip and place the two datasets `A2A_LIGANDS.tsv` and `AR_LIGANDS.tsv` in
+the `tutorial_data` folder) or recreate the dataset yourself by
+running `tutorial_data/create_tutorial_data.py` after you have installed QSPRpred.
+
+The [Quick Start](quick_start.ipynb) tutorial is designed to get you up and running with
+QSPRpred as quickly as
+possible while the rest dedicates more time to explain each feature in more detail.
+The [Basics](./basics) cover the most commonly used functionality of QSPRpred.
+The [Advanced](./advanced) tutorials cover more advanced topics and are designed for
+users who are already familiar with QSPRpred more in depth or are looking for more niche
+features. For detailed description of all QSPRpred classes and functions, as well as
+examples of
+how to use the command line interface, see
+the [documentation pages](https://cddleiden.github.io/QSPRpred/docs/).
+
+- **[Quick Start](quick_start.ipynb)**: A quick start guide to using QSPRpred.
+- **Basics**
+    - Data
+        - [Data Collection with Papyrus](basics/data/data_collection_with_papyrus.ipynb):
+          How to collect data with Papyrus.
+        - [Data Preparation](basics/data/data_preparation.ipynb): How to prepare data
+          for QSPRpred.
+        - [Data Representation](basics/data/data_representation.ipynb): How data is
+          represented in QSPRpred (MolTable, QSPRDataset, etc.).
+        - [Data Splitting](basics/data/data_splitting.ipynb): How to split data into
+          training, validation, and test sets.
+        - [Descriptors](basics/data/descriptors.ipynb): How to calculate descriptors for
+          molecules.
+        - [Searching, Filtering and Plotting](basics/data/searching_filtering_plotting.ipynb):
+          How to search and filter data.
+        - [Applicability Domain](basics/data/applicability_domain.ipynb): How to
+          calculate the applicability domain of a model.
+    - Modelling
+        - [Classification](basics/modelling/classification.ipynb): How to train a
+          classification model.
+        - [Logging](basics/modelling/logging.ipynb): How to set-up logging.
+        - [Model Assessment](basics/modelling/model_assessment.ipynb): How to assess the
+          performance of a model.
+    - Benchmarking
+        - [Benchmarking](basics/benchmarking/benchmarking.ipynb): How to benchmark
+          QSPRpred.
+- **Advanced**
+    - Data
+        - [Parallelization](advanced/data/parallelization.ipynb): How to parallelize
+          data functions across data sets.
+        - [Custom descriptors](advanced/data/custom_descriptors.ipynb): How to use
+          custom descriptors.
+        - [Custom data splitting](advanced/data/custom_splitting.ipynb): How to use
+          custom data splitting.
+    - Modelling
+        - [Custom models](advanced/modelling/custom_models.ipynb): How to use custom
+          models.
+        - [Deep learning models](advanced/modelling/deep_learning_models.ipynb): How to
+          use deep learning models.
+        - [Hyperparameter optimization](advanced/modelling/hyperparameter_optimization.ipynb):
+          How to optimize model hyperparameters.
+        - [Monitoring](advanced/modelling/monitoring.ipynb): How to monitor model
+          training.
+        - [Multi-task learning](advanced/modelling/multi_task_modelling.ipynb): How to
+          train a multi-task model.
+        - [PCM modelling](advanced/modelling/PCM_modelling.ipynb): How to prepare data
+          for and train a proteochemometric model.
+        - [Chemprop models](advanced/modelling/chemprop_models.ipynb): How to use
+          Chemprop models in QSPRpred.
\ No newline at end of file
diff --git a/tutorials/advanced/data/custom_descriptors.ipynb b/tutorials/advanced/data/custom_descriptors.ipynb
new file mode 100644
index 00000000..e4eb56b5
--- /dev/null
+++ b/tutorials/advanced/data/custom_descriptors.ipynb
@@ -0,0 +1,361 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Adding New Descriptors\n",
+    "\n",
+    "You can customize existing descriptors or add new ones. You just need to adhere to the `DescriptorSet` interface:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T21:27:56.479699060Z",
+     "start_time": "2024-01-17T21:27:55.785739911Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    }
+   ],
+   "source": [
+    "from typing import Any\n",
+    "\n",
+    "import numpy as np\n",
+    "from rdkit.Chem import Mol\n",
+    "\n",
+    "from qsprpred.data.descriptors.sets import DescriptorSet\n",
+    "\n",
+    "\n",
+    "class MyDescriptor(DescriptorSet):\n",
+    "    \"\"\"My custom descriptor set that counts occurrences for given atoms.\"\"\"\n",
+    "\n",
+    "    def __init__(\n",
+    "            self,\n",
+    "            atom_types: list[str] = ('C', 'N', 'O', 'F', 'P', 'S', 'Cl', 'Br', 'I')\n",
+    "    ):\n",
+    "        super().__init__()\n",
+    "        self.atom_types = atom_types\n",
+    "\n",
+    "    @property\n",
+    "    def descriptors(self):\n",
+    "        \"\"\"Returns the descriptors provided by this descriptor set (by the `self.getDescriptors` method).\n",
+    "        Make sure that the order of this list always corresponds to the order of the columns of the\n",
+    "        numpy array returned by `self.getDescriptors`.\n",
+    "        \"\"\"\n",
+    "        return self.atom_types\n",
+    "\n",
+    "    @descriptors.setter\n",
+    "    def descriptors(self, types: list[str]):\n",
+    "        \"\"\"Sets what descriptors to calculate. It is also used during \n",
+    "        feature selection to instruct the descriptor set about the selected features.\n",
+    "        \"\"\"\n",
+    "        self.atom_types = types\n",
+    "\n",
+    "    def __str__(self):\n",
+    "        \"\"\"This is how our descriptor set will be called, try  to choose  a unique name.\"\"\"\n",
+    "        return \"AtomTypeCounter\"\n",
+    "\n",
+    "    def getDescriptors(self, mols: list[Mol], props: dict[str, list[Any]], *args,\n",
+    "                       **kwargs) -> np.ndarray:\n",
+    "        \"\"\"Implements a simple algorithm to count occurences of the types specified in `self.atom_types`\"\"\"\n",
+    "        ret = np.zeros((len(mols), len(self.atom_types)))\n",
+    "        for mol in mols:\n",
+    "            for atom in mol.GetAtoms():\n",
+    "                # Get the element symbol of the atom\n",
+    "                symbol = atom.GetSymbol()\n",
+    "                # Get the index of the symbol in the list of atom types\n",
+    "                if symbol in self.atom_types:\n",
+    "                    index = self.atom_types.index(symbol)\n",
+    "                    # Increment the counter for the atom type\n",
+    "                    ret[mols.index(mol), index] += 1\n",
+    "        return ret"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "Now we can use this descriptor as any other:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T21:27:57.787969638Z",
+     "start_time": "2024-01-17T21:27:56.483141237Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>C</th>\n",
+       "      <th>N</th>\n",
+       "      <th>O</th>\n",
+       "      <th>F</th>\n",
+       "      <th>P</th>\n",
+       "      <th>S</th>\n",
+       "      <th>Cl</th>\n",
+       "      <th>Br</th>\n",
+       "      <th>I</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0000</th>\n",
+       "      <td>19.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0001</th>\n",
+       "      <td>18.0</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0002</th>\n",
+       "      <td>21.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0003</th>\n",
+       "      <td>28.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>5.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0004</th>\n",
+       "      <td>24.0</td>\n",
+       "      <td>5.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4077</th>\n",
+       "      <td>19.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4078</th>\n",
+       "      <td>18.0</td>\n",
+       "      <td>6.0</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4079</th>\n",
+       "      <td>12.0</td>\n",
+       "      <td>8.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4080</th>\n",
+       "      <td>20.0</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4081</th>\n",
+       "      <td>16.0</td>\n",
+       "      <td>5.0</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 9 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                           C    N    O    F    P    S   Cl   Br    I\n",
+       "QSPRID                                                              \n",
+       "QuickStartDataset_0000  19.0  6.0  2.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_0001  18.0  4.0  3.0  0.0  0.0  1.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_0002  21.0  6.0  2.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_0003  28.0  6.0  5.0  0.0  0.0  0.0  1.0  0.0  0.0\n",
+       "QuickStartDataset_0004  24.0  5.0  6.0  0.0  0.0  1.0  0.0  0.0  0.0\n",
+       "...                      ...  ...  ...  ...  ...  ...  ...  ...  ...\n",
+       "QuickStartDataset_4077  19.0  6.0  3.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_4078  18.0  6.0  2.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_4079  12.0  8.0  0.0  1.0  0.0  2.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_4080  20.0  3.0  3.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "QuickStartDataset_4081  16.0  5.0  3.0  0.0  0.0  0.0  0.0  0.0  0.0\n",
+       "\n",
+       "[4082 rows x 9 columns]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "from qsprpred.data import MoleculeTable\n",
+    "import pandas as pd\n",
+    "\n",
+    "# Load the dataset\n",
+    "df = pd.read_csv('../../tutorial_data/A2A_LIGANDS.tsv', sep='\\t')\n",
+    "dataset = MoleculeTable(\n",
+    "    df=df,\n",
+    "    store_dir=\"tutorial_output/data\",\n",
+    "    name=\"QuickStartDataset\",\n",
+    "    random_state=42,\n",
+    "    n_jobs=os.cpu_count(),  # Calculation will be distributed over available CPUs\n",
+    ")\n",
+    "# Add the descriptor\n",
+    "dataset.addDescriptors([MyDescriptor()])\n",
+    "dataset.getDescriptors()"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/data/custom_splitting.ipynb b/tutorials/advanced/data/custom_splitting.ipynb
new file mode 100644
index 00000000..e6cad3be
--- /dev/null
+++ b/tutorials/advanced/data/custom_splitting.ipynb
@@ -0,0 +1,4039 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Implementing Custom Cross-Validation and Train-Test Splits\n",
+    "\n",
+    "Data set splits in QSPRpred adhere to the splitting API used by scikit-learn, which means you can use those classes directly with QSPRpred data sets:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/tmp/ipykernel_54452/765359359.py:1: DeprecationWarning: \n",
+      "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n",
+      "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n",
+      "but was not found to be installed on your system.\n",
+      "If this would cause problems for you,\n",
+      "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n",
+      "        \n",
+      "  import pandas as pd\n",
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "(4082, 128)"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "dataset = QSPRDataset(\n",
+    "    df=pd.read_csv('../../tutorial_data/A2A_LIGANDS.tsv', sep='\\t'),\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"CustomSplitDataSet\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "dataset.addDescriptors([MorganFP(nBits=128)])\n",
+    "dataset.getDescriptors().shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(3673, 128) (409, 128)\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import ShuffleSplit\n",
+    "\n",
+    "# train-test split\n",
+    "dataset.split(ShuffleSplit(n_splits=1))\n",
+    "train, test = dataset.getFeatures()\n",
+    "print(train.shape, test.shape)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(3305, 128) (368, 128)\n",
+      "(3305, 128) (368, 128)\n",
+      "(3305, 128) (368, 128)\n"
+     ]
+    }
+   ],
+   "source": [
+    "# cross validation / resampling\n",
+    "for train, test, *_ in dataset.iterFolds(ShuffleSplit(n_splits=3)):\n",
+    "    print(train.shape, test.shape)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "However, QSPRpred also defines the `DataSplit` interface that provides extended features:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.data.sampling.splits import DataSplit\n",
+    "\n",
+    "import numpy as np\n",
+    "from typing import Iterable\n",
+    "\n",
+    "class MySplit(DataSplit):\n",
+    "    \"\"\"My customized split\"\"\"\n",
+    "\n",
+    "    def __init__(self, test_ids: list[list[str]]):\n",
+    "        super().__init__()\n",
+    "        self.test_ids = test_ids\n",
+    "\n",
+    "    def split(\n",
+    "        self,\n",
+    "        X: np.ndarray | pd.DataFrame, \n",
+    "        y: np.ndarray | pd.DataFrame | pd.Series\n",
+    "    ) -> Iterable[tuple[list[int], list[int]]]:\n",
+    "        \"\"\"Uses only the specified IDs from the data set as test set\n",
+    "        Returns an iterator of training and test split indices, \n",
+    "        just like a scikit learn splitter would.\n",
+    "        \"\"\"\n",
+    "        splits = []\n",
+    "        for test_ids in self.test_ids:\n",
+    "            test = np.where(X.index.isin(test_ids))[0]\n",
+    "            train = np.where(~X.index.isin(test_ids))[0]\n",
+    "            splits.append((train, test))\n",
+    "        return splits"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Index(['CustomSplitDataSet_0007', 'CustomSplitDataSet_0077'], dtype='object', name='QSPRID')"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# train-test split\n",
+    "my_split = MySplit([[\"CustomSplitDataSet_0007\", \"CustomSplitDataSet_0077\"]])\n",
+    "dataset.split(my_split)\n",
+    "train, test = dataset.getFeatures()\n",
+    "test.index # desired IDs in the test set"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Index(['CustomSplitDataSet_0006', 'CustomSplitDataSet_0066'], dtype='object', name='QSPRID')\n",
+      "Index(['CustomSplitDataSet_0008', 'CustomSplitDataSet_0088'], dtype='object', name='QSPRID')\n"
+     ]
+    }
+   ],
+   "source": [
+    "# cross-validation / resampling\n",
+    "my_split = MySplit([[\"CustomSplitDataSet_0006\", \"CustomSplitDataSet_0066\"], [\"CustomSplitDataSet_0008\", \"CustomSplitDataSet_0088\"]])\n",
+    "for train, test, *_ in dataset.iterFolds(my_split):\n",
+    "    print(test.index) # desired IDs in the test set"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "So far this is not much different than a simple `scikit-learn` split, but using `RandomSplit` also provides us with access to the data set being split. Here is an implementation of a splitter that moves molecules with certain substructures into different splits and uses the `RandomSplit` API to access the data set being split:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "class MyScaffoldSplit(DataSplit):\n",
+    "    \"\"\"My customized scaffold split\"\"\"\n",
+    "\n",
+    "    def __init__(self, test_smarts: list[list[str]]):\n",
+    "        super().__init__()\n",
+    "        self.test_smarts = test_smarts\n",
+    "\n",
+    "    def split(\n",
+    "        self,\n",
+    "        X: np.ndarray | pd.DataFrame, \n",
+    "        y: np.ndarray | pd.DataFrame | pd.Series\n",
+    "    ) -> Iterable[tuple[list[int], list[int]]]:\n",
+    "        \"\"\"Matches molecules with certain SMARTS substructures \n",
+    "        and puts them in the test set.\n",
+    "        \"\"\"\n",
+    "        dataset = self.getDataSet()\n",
+    "        splits = []\n",
+    "        for test_smart in self.test_smarts:\n",
+    "            test_subset = dataset.searchWithSMARTS(test_smart, operator=\"and\")\n",
+    "            test_ids = test_subset.getProperty(\"QSPRID\").values\n",
+    "            test = np.where(X.index.isin(test_ids))[0]\n",
+    "            train = np.where(~X.index.isin(test_ids))[0]\n",
+    "            splits.append((train, test))\n",
+    "        return splits"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "my_split = MyScaffoldSplit([[\"[ar]\", \"NS(=O)(=O)\"], [\"[ar]\", \"C(=O)[OH]\"]])\n",
+    "test_indices = []\n",
+    "for train, test, *_ in dataset.iterFolds(my_split):\n",
+    "    test_indices.append(test.index)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "f95a8be3144a4b84a087a4e9203e459f",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "MolGridWidget()"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<style>\n",
+       "    /* Some CSS to integrate with Jupyter more cleanly */\n",
+       "    div.output_subarea {\n",
+       "        /* Undo an unfortunate max-width parameter\n",
+       "        that causes the output area to be too narrow\n",
+       "        on smaller screens. */\n",
+       "        max-width: none;\n",
+       "\n",
+       "        /* Align the table with the content */\n",
+       "        padding: 0;\n",
+       "\n",
+       "        /* Let it breathe */\n",
+       "        margin-top: 20px;\n",
+       "    }\n",
+       "</style>\n",
+       "\n",
+       "<iframe class=\"mols2grid-iframe\" frameborder=\"0\" width=\"100%\"\n",
+       "    \n",
+       "    \n",
+       "    allow=\"clipboard-write\"\n",
+       "    \n",
+       "    \n",
+       "    sandbox=\"allow-scripts allow-same-origin allow-downloads allow-popups allow-modals\"\n",
+       "    \n",
+       "    srcdoc=\"\n",
+       "\n",
+       "\n",
+       "\n",
+       "&lt;html lang=&quot;en&quot;&gt;\n",
+       "    &lt;head&gt;\n",
+       "        &lt;meta charset=&quot;UTF-8&quot; /&gt;\n",
+       "        &lt;meta http-equiv=&quot;X-UA-Compatible&quot; content=&quot;IE=edge&quot; /&gt;\n",
+       "        &lt;meta name=&quot;viewport&quot; content=&quot;width=device-width, initial-scale=1.0&quot; /&gt;\n",
+       "        &lt;title&gt;Document!&lt;/title&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;style&gt;\n",
+       "            /**\n",
+       " * General styling\n",
+       " */\n",
+       "body {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "}\n",
+       "h1,h2,h3,h4 {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "h1 {\n",
+       "    font-size: 26px;\n",
+       "}\n",
+       "h2 {\n",
+       "    font-size: 20px;\n",
+       "    font-weight: 400;\n",
+       "}\n",
+       "h3 {\n",
+       "\tfont-size: 16px;\n",
+       "}\n",
+       "p {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/* Remove body margin inside iframe */\n",
+       "body.m2g-inside-iframe {\n",
+       "    margin: 0;\n",
+       "}\n",
+       "\n",
+       "/* In-cell text */\n",
+       "#mols2grid .data:not(.data-img) {\n",
+       "    height: 16px;\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "/* Text truncation */\n",
+       "#mols2grid .data {\n",
+       "    /* Break text into multiple lines (default for static)... */\n",
+       "    word-wrap: normal;\n",
+       "\n",
+       "    /* ...or truncate it (default for interactive). */\n",
+       "    overflow: hidden;\n",
+       "    white-space: nowrap;\n",
+       "    text-overflow: ellipsis;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Popover\n",
+       " * - - -\n",
+       " * Note: this is a bootstrap variable which is not namespaced.\n",
+       " * To avoid any contamination, we only style it when the\n",
+       " * x-placement parameter is set.\n",
+       " */\n",
+       ".popover[x-placement] {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    background: white;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    font-size: 12px;\n",
+       "    padding: 10px;\n",
+       "    border-radius: 5px;\n",
+       "    box-shadow: 0 0 20px rgba(0,0,0,.15);\n",
+       "    user-select: none;\n",
+       "}\n",
+       ".popover[x-placement] h3 {\n",
+       "    margin: 0;\n",
+       "}\n",
+       ".popover[x-placement] .arrow {\n",
+       "    width: 10px;\n",
+       "    height: 10px;\n",
+       "    background: #fff;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    box-sizing: border-box;\n",
+       "    position: absolute;\n",
+       "    transform-origin: 5px 5px;\n",
+       "    clip-path: polygon(0 0, 100% 0, 100% 100%);\n",
+       "}\n",
+       ".popover[x-placement=&#x27;left&#x27;] .arrow {\n",
+       "    transform: rotate(45deg);\n",
+       "    top: 50%;\n",
+       "    right: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;right&#x27;] .arrow {\n",
+       "    transform: rotate(-135deg);\n",
+       "    top: 50%;\n",
+       "    left: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;top&#x27;] .arrow {\n",
+       "    transform: rotate(135deg);\n",
+       "    left: 50%;\n",
+       "    bottom: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;bottom&#x27;] .arrow {\n",
+       "    transform: rotate(-45deg);\n",
+       "    left: 50%;\n",
+       "    top: -5px;\n",
+       "}\n",
+       "            body {\n",
+       "    /* Colors */\n",
+       "    --m2g-black: rgba(0,0,0,.75);\n",
+       "    --m2g-black-soft: rgba(0,0,0,.35);\n",
+       "    --m2g-black-10: rgba(0,0,0,.1);\n",
+       "    --m2g-bg: #f6f6f6;\n",
+       "    --m2g-border: solid 1px rgba(0,0,0,0.2);\n",
+       "    --m2g-hl: #555; /* Highlight color */\n",
+       "    --m2g-hl-shadow: inset 0 0 0 1px var(--m2g-hl); /* Inset 1px shadow to make border thicker */\n",
+       "    --m2g-blue: #0f62fe;\n",
+       "    --m2g-blue-soft: rgba(15,98,254,.2);\n",
+       "\n",
+       "    /* Icons */\n",
+       "    --m2g-icn-triangle: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;rgba(0,0,0,.75)&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-triangle-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;white&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-cb-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;16&quot; height=&quot;16&quot; viewBox=&quot;0 0 16 16&quot; fill=&quot;none&quot; stroke=&quot;white&quot; stroke-width=&quot;2.5&quot; stroke-linecap=&quot;round&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M4 7.65686L7 10.6569L12.6569 5.00001&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    \n",
+       "    /* Border radius */\n",
+       "    --m2g-br: 3px;\n",
+       "    --m2g-br-l: var(--m2g-br) 0 0 var(--m2g-br); /* Left-only */\n",
+       "    --m2g-br-r: 0 var(--m2g-br) var(--m2g-br) 0; /* Right-only */\n",
+       "\n",
+       "    /* Text */\n",
+       "    --m2g-fs: 14px; /* UI font-size */\n",
+       "    --m2g-fs-cell: 12px; /* Cell font-size */\n",
+       "\n",
+       "    /* Transition speeds */\n",
+       "    --m2g-trans: 150ms;\n",
+       "\n",
+       "    /* Layout */\n",
+       "    --m2g-h: 40px; /* Form element height */\n",
+       "}\n",
+       "\n",
+       "/* Styling */\n",
+       "#mols2grid {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    font-size: var(--m2g-fs);\n",
+       "}\n",
+       "\n",
+       "/* Fixes */\n",
+       "#mols2grid *,\n",
+       "#mols2grid *::before,\n",
+       "#mols2grid *::after {\n",
+       "    box-sizing: border-box;\n",
+       "    outline: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-functions {\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row {\n",
+       "    flex: 0;\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Individual elements don&#x27;t scale */\n",
+       "#mols2grid .m2g-functions .m2g-row &gt; * {\n",
+       "    flex: 0 0;\n",
+       "    margin-right: 10px;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row:last-child &gt; *:last-child {\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Row 1: pagination + gap + sort */\n",
+       "#mols2grid .m2g-functions .m2g-row:first-child {\n",
+       "    flex: 1; /* Scale */\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-gap {\n",
+       "    /* The gap in between will scale, so the pagination\n",
+       "    stays on the left, while the rest moves to the right */\n",
+       "    flex: 1;\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Pagination\n",
+       " */\n",
+       "\n",
+       "#mols2grid ul.m2g-pagination {\n",
+       "    /* Unset defaults */\n",
+       "    list-style-type: none;\n",
+       "    margin-block-start: 0;\n",
+       "    margin-block-end: 0;\n",
+       "    margin-inline-start: 0;\n",
+       "    margin-inline-end: 0;\n",
+       "    padding-inline-start: 0;\n",
+       "\n",
+       "    /* Custom */\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li {\n",
+       "    background: var(--m2g-bg) ;\n",
+       "    border: var(--m2g-border);\n",
+       "    height: var(--m2g-h);\n",
+       "    min-width: calc(var(--m2g-h) + 1px);\n",
+       "    position: relative;\n",
+       "    user-select: none;\n",
+       "    \n",
+       "    /* Compensate for double border */\n",
+       "    margin-right: -1px;\n",
+       "    \n",
+       "    /* Center text */\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    min-width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li a {\n",
+       "    text-decoration: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    padding: 0 10px;\n",
+       "    width: 100%;\n",
+       "    height: var(--m2g-h);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    text-align: center;\n",
+       "    /* Compensate for border so there&#x27;s no gap between click areas  */\n",
+       "    margin: 0 -1px;\n",
+       "}\n",
+       "\n",
+       "/* Corner shape */\n",
+       "#mols2grid ul.m2g-pagination li:first-child {\n",
+       "    border-radius: var(--m2g-br-l);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    border-radius: var(--m2g-br-r);\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid ul.m2g-pagination li:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "\n",
+       "/* Active state */\n",
+       "#mols2grid ul.m2g-pagination li.active {\n",
+       "    background: var(--m2g-hl);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li.active a {\n",
+       "    cursor: default;\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "/* Disabled sate */\n",
+       "#mols2grid ul.m2g-pagination li.disabled a {\n",
+       "    cursor: default;\n",
+       "    color: rgba(0,0,0,.25);\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Dropdowns\n",
+       " */\n",
+       "\n",
+       "#mols2grid ::placeholder {\n",
+       "    color: var(--m2g-black-soft);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown {\n",
+       "    height: var(--m2g-h);\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    position: relative;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown select {\n",
+       "    -webkit-appearance: none;\n",
+       "    -moz-appearance: none;\n",
+       "    -ms-appearance: none;\n",
+       "    appearance: none;\n",
+       "    background: transparent;\n",
+       "    border: none;\n",
+       "    height: 100%;\n",
+       "    padding: 0 13px;\n",
+       "    min-width: 0;\n",
+       "    max-width: 250px;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "/* Icon */\n",
+       "#mols2grid .m2g-dropdown .m2g-icon {\n",
+       "    width: 30px;\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg:not(.m2g-stroke) {\n",
+       "    fill: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg.m2g-stroke {\n",
+       "    stroke: var(--m2g-black);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "/* We hide the native select element because\n",
+       " * it is limited in styling. Instead, we display\n",
+       " * the selected value in a div. */\n",
+       "#mols2grid .m2g-dropdown .m2g-display {\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    right: 0;\n",
+       "    top: 0;\n",
+       "    bottom: 0;\n",
+       "    pointer-events: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    padding: 0 25px 0 13px;\n",
+       "\n",
+       "    /* Truncate dropdown text */\n",
+       "    white-space: nowrap;\n",
+       "\ttext-overflow: ellipsis;\n",
+       "\toverflow: hidden;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Action dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-actions {\n",
+       "    width: var(--m2g-h);\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions select {\n",
+       "    opacity: 0;\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions .m2g-icon {\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Sort dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-sort {\n",
+       "    flex: 0 0 200px;\n",
+       "    width: 200px; /* Needed in addition to flex-basis for small sizes! */\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    background: var(--m2g-bg);\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Dropdown */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort select {\n",
+       "    flex: 1 1;\n",
+       "    opacity: 0;\n",
+       "    /* padding-right: 70px; Space for &quot;Sort:&quot; */\n",
+       "    box-sizing: border-box;\n",
+       "}\n",
+       "\n",
+       "/* Sort order */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-order {\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    flex: 0 0 30px;\n",
+       "    height: 100%;\n",
+       "    border-left: var(--m2g-border);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort.m2d-arrow-desc .m2g-order {\n",
+       "    transform: rotate(180deg);\n",
+       "    border-left: none;\n",
+       "    border-right: var(--m2g-border);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display {\n",
+       "    right: 31px;\n",
+       "    padding-right: 13px;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display::before {\n",
+       "    content: &#x27;Sort: &#x27;;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-display,\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-order {\n",
+       "    background-color: transparent;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Search bar\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-search-wrap {\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: flex-end;\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "}\n",
+       "#mols2grid .m2g-searchbar {\n",
+       "    width: 170px;\n",
+       "    height: var(--m2g-h);\n",
+       "    padding: 0 13px;\n",
+       "    border: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: text;\n",
+       "    background: transparent;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-search-wrap:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Option buttons */\n",
+       "#mols2grid .m2g-search-options {\n",
+       "    font-size: 12px;\n",
+       "    display: flex;\n",
+       "    height: calc(1.5em + .75rem);\n",
+       "    line-height: calc(1.5em + .75rem);\n",
+       "    margin-right: 5px;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    color: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option {\n",
+       "    background: var(--m2g-black-10);\n",
+       "    padding: 0 13px;\n",
+       "    cursor: default;\n",
+       "    user-select: none;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:not(.sel) {\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:first-child {\n",
+       "    border-radius: 2px 0 0 2px;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:last-child {\n",
+       "    border-radius: 0 2px 2px 0;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option.sel {\n",
+       "    background: var(--m2g-hl);\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#mols2grid .m2g-list {\n",
+       "    display: flex;\n",
+       "    flex-wrap: wrap;\n",
+       "    align-items: flex-start;\n",
+       "    justify-content: flex-start;\n",
+       "    padding: 1px; /* Compensate for negative padding on cell */\n",
+       "    user-select: none;\n",
+       "    margin: 0px;\n",
+       "    margin-top: 20px;\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "/* Cell */\n",
+       "#mols2grid .m2g-cell {\n",
+       "    border: 1px solid #cccccc;\n",
+       "    text-align: center;\n",
+       "    vertical-align: top;\n",
+       "    font-family: var(--font-family);\n",
+       "    padding: 10px;\n",
+       "    padding-top: max(10px, 20px);\n",
+       "    margin: -1px -1px 0 0;\n",
+       "    flex: 1 0 130px;\n",
+       "    position: relative;\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    cursor: pointer;\n",
+       "    color: var(--m2g-black);\n",
+       "    overflow: hidden;\n",
+       "    box-sizing: border-box;\n",
+       "    background-color: white;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:focus {\n",
+       "    z-index: 1;\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Phantom cells to maintain grid structure with less results */\n",
+       "#mols2grid .m2g-cell.m2g-phantom {\n",
+       "    border: none;\n",
+       "    pointer-events: none;\n",
+       "    height: 0;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "\n",
+       "/* Checkbox &amp; ID */\n",
+       "#mols2grid .m2g-cb-wrap {\n",
+       "    position: absolute;\n",
+       "    top: 3px;\n",
+       "    left: 3px;\n",
+       "    display: flex;\n",
+       "    border-radius: 2px;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    padding: 3px;\n",
+       "    padding-right: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] {\n",
+       "    display: none;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .m2g-cb {\n",
+       "\twidth: 16px;\n",
+       "\theight: 16px;\n",
+       "\tbox-sizing: border-box;\n",
+       "\tbackground: #fff;\n",
+       "\tborder: var(--m2g-border);\n",
+       "\tborder-radius: 2px;\n",
+       "    margin-right: 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox]:checked + .m2g-cb {\n",
+       "    border: none;\n",
+       "    background-color: var(--m2g-blue);\n",
+       "    background-image: var(--m2g-icn-cb-white);\n",
+       "}\n",
+       "#mols2grid .m2g-tooltip {\n",
+       "    /* This is a div spanning full cell size where the\n",
+       "    tooltip is rendered around, because you can&#x27;t attach\n",
+       "    it to the parent due to list.js limitation. */\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    top: 0;\n",
+       "    z-index: -1;\n",
+       "    pointer-events: none;\n",
+       "    opacity: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:has(:checked) {\n",
+       "    background: #ffd !important; /* Overrides user-set background color */\n",
+       "}\n",
+       "#mols2grid .data-mols2grid-id-display {\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .data-mols2grid-id-display {\n",
+       "    padding: 0 5px 0 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap .data-name-display {\n",
+       "    font-size: var(--m2g-fs);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "\n",
+       "/* Info + callback button wrap (28px high) */\n",
+       "#mols2grid .m2g-cell-actions {\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    display: flex;\n",
+       "    flex-direction: row;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    \n",
+       "    /* background: yellow; */\n",
+       "}\n",
+       "\n",
+       "/* Info button */\n",
+       "#mols2grid .m2g-info {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    border-radius: 2px;\n",
+       "    line-height: 28px;\n",
+       "    font-size: min(14px, 12px);\n",
+       "    font-family: Georgia, serif;\n",
+       "    font-style: italic;\n",
+       "    padding: 0;\n",
+       "    text-align: center;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info {\n",
+       "    color: #fff;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info::before {\n",
+       "    content: &#x27;i&#x27;;\n",
+       "    width: 18px;\n",
+       "    height: 18px;\n",
+       "    line-height: 18px;\n",
+       "    background: var(--m2g-hl);\n",
+       "    position: absolute;\n",
+       "    left: 5px;\n",
+       "    top: 5px;\n",
+       "    border-radius: 9px;\n",
+       "}\n",
+       "\n",
+       "/* Callback button */\n",
+       "#mols2grid .m2g-callback {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-callback::after {\n",
+       "    content: &#x27;&#x27;;\n",
+       "    display: block;\n",
+       "    width: 16px;\n",
+       "    height: 16px;\n",
+       "    margin: 6px;\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: 2px;\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    transform: rotate(-90deg);\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#mols2grid .m2g-cell .data-img {\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell img,\n",
+       "#mols2grid .m2g-cell svg {\n",
+       "    max-width: 100%;\n",
+       "    height: auto;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell svg &gt; rect:first-child {\n",
+       "    /* Remove the SVG background */\n",
+       "    fill: transparent !important;\n",
+       "}\n",
+       "\n",
+       "/* Text below image */\n",
+       ".m2g-copy-blink {\n",
+       "    animation: m2g-blink var(--m2g-trans) 3;\n",
+       "}\n",
+       "@keyframes m2g-blink {\n",
+       "    0% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    49% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    50% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "    100% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* Copyable text */\n",
+       ".copy-me {\n",
+       "    position: relative;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Modal popup\n",
+       " * - - -\n",
+       " * Triggered by make_popup_callback()\n",
+       " * See https://mols2grid.readthedocs.io/en/latest/notebooks/callbacks.html#Display-a-popup-containing-descriptors\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#m2g-modal-container {\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    background: var(--m2g-black-10);\n",
+       "    position: fixed;\n",
+       "    top: 0;\n",
+       "    left: 0;\n",
+       "    z-index: 1;\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    \n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transition: opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "\n",
+       "/* Modal */\n",
+       "#m2g-modal {\n",
+       "    background: #fff;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    box-shadow: 0 0 30px var(--m2g-black-10);\n",
+       "    padding: 20px;\n",
+       "    position: relative;\n",
+       "    max-width: calc(100% - 80px);\n",
+       "    max-height: calc(100% - 80px);\n",
+       "    display: flex;\n",
+       "    flex-direction: column;\n",
+       "    min-width: 26px;\n",
+       "\n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transform: translate(0, 5px);\n",
+       "    transition: transform var(--m2g-trans) ease-in-out, opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header {\n",
+       "    flex: 0 0 26px;\n",
+       "    margin-bottom: 10px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 {\n",
+       "    margin-bottom: 0;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 + p {\n",
+       "    font-size: 15px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-body {\n",
+       "    flex: 1;\n",
+       "    position: relative;\n",
+       "}\n",
+       "\n",
+       "/* Transition */\n",
+       "#m2g-modal-container.show {\n",
+       "    opacity: 1;\n",
+       "}\n",
+       "#m2g-modal-container.show #m2g-modal {\n",
+       "    opacity: 1;\n",
+       "    transform: translate(0, 0);\n",
+       "}\n",
+       "\n",
+       "/* Header + close btn */\n",
+       "#m2g-modal h2 {\n",
+       "    line-height: 26px;\n",
+       "    padding-right: 40px;\n",
+       "    text-transform: capitalize;\n",
+       "}\n",
+       "#m2g-modal h3 {\n",
+       "    \n",
+       "}\n",
+       "#m2g-modal button.close {\n",
+       "    background: transparent;\n",
+       "    padding: 0;\n",
+       "    color: var(--m2g-black);\n",
+       "    font-size: 1.5rem;\n",
+       "    width: 40px;\n",
+       "    height: 40px;\n",
+       "    position: absolute;\n",
+       "    top: 13px;\n",
+       "    right: 13px;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#m2g-modal .svg-wrap svg {\n",
+       "    max-width: 100%;\n",
+       "    margin-bottom: 20px;\n",
+       "}\n",
+       "\n",
+       "/* Separator */\n",
+       "hr {\n",
+       "    width: 100%;\n",
+       "    height: 1px;\n",
+       "    background: #ddd;\n",
+       "    margin: 15px 0;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Hover states\n",
+       " */\n",
+       "@media (hover:hover) {\n",
+       "    /* Pagination */\n",
+       "    #mols2grid ul.m2g-pagination li:not(.active):not(.disabled):hover {\n",
+       "        background: #f0f0f0;\n",
+       "        z-index: 1;\n",
+       "    }\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        /* Keeping the hover border consiistent */\n",
+       "        margin-left: 1px;\n",
+       "        border-left: none;\n",
+       "        min-width: 40px;\n",
+       "    }\n",
+       "\n",
+       "    /* Dropdowns &amp; search */\n",
+       "    #mols2grid .m2g-dropdown:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-sort:not(:focus-within) .m2g-order:hover {\n",
+       "        background-color: #f0f0f0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover {\n",
+       "        background: #fff;\n",
+       "        border-color: rgba(0,0,0,.3);\n",
+       "    }\n",
+       "    /* Hocus pocus to have separate hover states for dropdown and arrow */\n",
+       "    #mols2grid .m2g-dropdown.m2g-sort:not(:focus-within):hover .m2g-order:not(:hover) + .m2g-display {\n",
+       "        background-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Search options */\n",
+       "    #mols2grid .m2g-search-options .m2g-option:not(.sel):hover {\n",
+       "        background: rgba(0,0,0,.15);\n",
+       "    }\n",
+       "\n",
+       "    /* Grid */\n",
+       "    /* Note: this is in an ::after pseudo element, so the transparent\n",
+       "    hover color plays nice with the cell background color. */\n",
+       "    #mols2grid .m2g-cell:hover::after {\n",
+       "        content: &#x27;&#x27;;\n",
+       "        width: 100%;\n",
+       "        height: 100%;\n",
+       "        position: absolute;\n",
+       "        top: 0;\n",
+       "        left: 0;\n",
+       "        background-color: rgba(0,0,0,0.05);\n",
+       "        pointer-events: none;\n",
+       "    }\n",
+       "\n",
+       "    /* info button */\n",
+       "    #mols2grid .m2g-info:hover::before {\n",
+       "        content: &#x27;i&#x27;;\n",
+       "        color: #fff;\n",
+       "        width: 18px;\n",
+       "        height: 18px;\n",
+       "        line-height: 18px;\n",
+       "        background: var(--m2g-hl);\n",
+       "        position: absolute;\n",
+       "        left: 5px;\n",
+       "        top: 5px;\n",
+       "        border-radius: 9px;\n",
+       "    }\n",
+       "    \n",
+       "    /* Callback button */\n",
+       "    #mols2grid .m2g-callback:hover::after {\n",
+       "        background-color: var(--m2g-black);\n",
+       "        background-image: var(--m2g-icn-triangle-white);\n",
+       "        border-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Copyable text */\n",
+       "    .copy-me:hover {\n",
+       "        text-decoration: underline;\n",
+       "        text-decoration-color: var(--m2g-blue);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Responsive behavior.\n",
+       " * - - -\n",
+       " * Note: container queries won&#x27;t work in older browsers,\n",
+       " * but this is purely aesthetical behavior so that&#x27;s ok.\n",
+       " * https://caniuse.com/css-container-queries\n",
+       " */\n",
+       "\n",
+       "/* This sets the msg-list div as reference container */\n",
+       "#mols2grid {\n",
+       "    container-type: inline-size;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s not enough space to put everything in one row, we break it into two.\n",
+       " * - - -\n",
+       " * 870px = pagination 280 + sort 200 + search 300 + menu 40 + (3*10 gap) = 850 + 20 buffer.\n",
+       " * Buffer required because the button width inside the search depends on the font.\n",
+       " */\n",
+       "@container (max-width: 870px) {\n",
+       "    #mols2grid .m2g-functions {\n",
+       "        flex-direction: column-reverse;\n",
+       "        gap: 10px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:last-child {\n",
+       "        justify-content: flex-end;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:first-child *:last-child {\n",
+       "        margin-right: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + sort on one row,\n",
+       " * we reduce the sort drodpwon width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    #mols2grid .m2g-functions .m2g-sort {\n",
+       "        width: 80px;\n",
+       "        flex-basis: 80px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display {\n",
+       "        font-size: 0;\n",
+       "        line-height: 0;\n",
+       "        padding-right: 0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display::before {\n",
+       "        content: &#x27;Sort&#x27;;\n",
+       "        font-size: var(--m2g-fs);\n",
+       "        line-height: var(--m2g-h);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + reduced sort on one row,\n",
+       " * we reduce the pagination width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    /* We&#x27;re overriding min-width from different\n",
+       "    locations, including responsive rules */\n",
+       "    #mols2grid ul.m2g-pagination li,\n",
+       "    #mols2grid ul.m2g-pagination li:last-child,\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        min-width: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for searchbar + menu\n",
+       " * we scale down the searchbar to fit the container.\n",
+       " */\n",
+       "@container (max-width: 370px) {\n",
+       "    #mols2grid .m2g-functions .m2g-row .m2g-search-wrap {\n",
+       "        flex: 1;\n",
+       "    }\n",
+       "    #mols2grid .m2g-searchbar {\n",
+       "        width: calc(100% - 50px);\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options {\n",
+       "        width: 50px;\n",
+       "    }\n",
+       "\n",
+       "    /* Collapse options in T/M buttons */\n",
+       "    #mols2grid .m2g-search-options .m2g-option {\n",
+       "        width: 25px;\n",
+       "        text-align: center;\n",
+       "        padding: 0;\n",
+       "        overflow: hidden;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:first-child::before {\n",
+       "        content: &#x27;T\\A&#x27;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:last-child::before {\n",
+       "        content: &#x27;S\\A&#x27;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s room for 5 columns, fall back to 4 */\n",
+       "@container (min-width: 519px) and (max-width: 779px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 4);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 7-11 columns, fall back to 6 */\n",
+       "@container (min-width: 779px) and (max-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 6);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 13+ columns, fall back to 12 */\n",
+       "@container (min-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 12);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "            /* Custom CSS */\n",
+       "            \n",
+       "        &lt;/style&gt;\n",
+       "        &lt;script src=&quot;https://cdnjs.cloudflare.com/ajax/libs/list.js/2.3.1/list.min.js&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://code.jquery.com/jquery-3.6.0.min.js&quot; integrity=&quot;sha256-/xUj+3OJU5yExlq6GSYGSHk7tPXikynS7ogEvDej/m4=&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://unpkg.com/@rdkit/rdkit@2022.3.1/Code/MinimalLib/dist/RDKit_minimal.js&quot;&gt;&lt;/script&gt;\n",
+       "        &lt;script&gt;\n",
+       "    // Set iframe height to fit content.\n",
+       "    function fitIframe(iframe) {\n",
+       "        // Ignore when there&#x27;s no iframe\n",
+       "        if (!iframe) return\n",
+       "\n",
+       "        // Only fit height when no specific height was given.\n",
+       "        if (iframe.getAttribute(&#x27;height&#x27;)) return;\n",
+       "\n",
+       "        // Initial fit + refit whenever the window width changes.\n",
+       "        _fit()\n",
+       "        $(window).on(&#x27;resize&#x27;, function() {\n",
+       "            if (window.innerWidth != window.prevInnerWidth) {\n",
+       "                window.prevInnerWidth = window.innerWidth\n",
+       "                _fit();\n",
+       "            }\n",
+       "        })\n",
+       "\n",
+       "        // Fit iframe height to content height.\n",
+       "        function _fit() {\n",
+       "            var height = iframe.contentDocument.body.scrollHeight + 18 + &#x27;px&#x27;;\n",
+       "            iframe.style.height = height;\n",
+       "        }\n",
+       "    }\n",
+       "&lt;/script&gt;\n",
+       "\n",
+       "&lt;!-- prettier-ignore --&gt;\n",
+       "&lt;script src=&quot;https://cdn.jsdelivr.net/npm/bootstrap@4.6.0/dist/js/bootstrap.bundle.min.js&quot; integrity=&quot;sha384-Piv4xVNRyMGpqkS2by6br4gNJ7DXjqk09RmUpJ8jgGtD7zP9yug3goQfGII0yAns&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "        \n",
+       "        &lt;!-- Custom header --&gt;\n",
+       "        \n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/head&gt;\n",
+       "    &lt;body class=&quot;m2g-inside-iframe&quot;&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;div id=&quot;mols2grid&quot; class=&quot;grid-default&quot;&gt;\n",
+       "            &lt;!-- Pagination &amp; search --&gt;\n",
+       "            &lt;div class=&quot;m2g-functions&quot;&gt;\n",
+       "                \n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Pagination --&gt;\n",
+       "                    &lt;ul class=&quot;m2g-pagination&quot; class=&quot;d-flex&quot;&gt;&lt;/ul&gt;\n",
+       "                    &lt;div class=&quot;m2g-gap&quot;&gt;&lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Sort dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-sort&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;mols2grid-id&quot; selected&gt;Index&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;data-SMILES&quot;&gt;SMILES&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                            \n",
+       "                            &lt;option value=&quot;checkbox&quot;&gt;Selected&lt;/option&gt;\n",
+       "                            \n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-order&quot;&gt;&lt;/div&gt;\n",
+       "                        &lt;div class=&quot;m2g-display&quot;&gt;\n",
+       "                            Index\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Search bar --&gt;\n",
+       "                    &lt;div class=&quot;m2g-search-wrap&quot;&gt;\n",
+       "                        &lt;input\n",
+       "                            type=&quot;text&quot;\n",
+       "                            class=&quot;m2g-searchbar form-control&quot;\n",
+       "                            placeholder=&quot;Search&quot;\n",
+       "                            aria-label=&quot;Search&quot;\n",
+       "                            aria-describedby=&quot;basic-addon1&quot;\n",
+       "                        /&gt;\n",
+       "                        &lt;div class=&quot;m2g-search-options&quot;&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-text sel&quot;&gt;Text&lt;/div&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-smarts&quot;&gt;SMARTS&lt;/div&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Action dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-actions&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            &lt;option hidden&gt;-&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-all&quot;&gt;Select all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-matching&quot;&gt;Select matching&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;unselect-all&quot;&gt;Unselect all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;invert&quot;&gt;Invert&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;copy&quot;&gt;Copy to clipboard&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-smiles&quot;&gt;Save SMILES&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-csv&quot;&gt;Save CSV&lt;/option&gt;\n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-icon&quot;&gt;\n",
+       "                            &lt;svg width=&quot;20&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;\n",
+       "                                &lt;path d=&quot;M11.5 4C11.5 4.82843 10.8284 5.5 10 5.5C9.17157 5.5 8.5 4.82843 8.5 4C8.5 3.17157 9.17157 2.5 10 2.5C10.8284 2.5 11.5 3.17157 11.5 4ZM11.5 10C11.5 10.8284 10.8284 11.5 10 11.5C9.17157 11.5 8.5 10.8284 8.5 10C8.5 9.17157 9.17157 8.5 10 8.5C10.8284 8.5 11.5 9.17157 11.5 10ZM10 17.5C10.8284 17.5 11.5 16.8284 11.5 16C11.5 15.1716 10.8284 14.5 10 14.5C9.17157 14.5 8.5 15.1716 8.5 16C8.5 16.8284 9.17157 17.5 10 17.5Z&quot;/&gt;\n",
+       "                            &lt;/svg&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "            &lt;/div&gt;\n",
+       "\n",
+       "            &lt;!-- Grid --&gt;\n",
+       "            \n",
+       "            &lt;div class=&quot;m2g-list&quot;&gt;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;/div&gt;\n",
+       "        &lt;/div&gt;\n",
+       "        &lt;script&gt;\n",
+       "            // list.js\n",
+       "var listObj = new List(&#x27;mols2grid&#x27;, {\n",
+       "    listClass: &#x27;m2g-list&#x27;,\n",
+       "    valueNames: [{data: [&#x27;mols2grid-id&#x27;]}, &#x27;data-SMILES&#x27;, &#x27;data-img&#x27;, &#x27;data-mols2grid-id&#x27;, &#x27;data-mols2grid-id-display&#x27;, {attr: &#x27;data-content&#x27;, name: &#x27;m2g-tooltip&#x27;}],\n",
+       "    item: &#x27;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&#x27;,\n",
+       "    page: 24,\n",
+       "    pagination: {\n",
+       "        paginationClass: &quot;m2g-pagination&quot;,\n",
+       "        item: &#x27;&lt;li class=&quot;page-item&quot;&gt;&lt;a class=&quot;page page-link&quot; href=&quot;#&quot; onclick=&quot;event.preventDefault()&quot;&gt;&lt;/a&gt;&lt;/li&gt;&#x27;,\n",
+       "        innerWindow: 1,\n",
+       "        outerWindow: 1,\n",
+       "    },\n",
+       "});\n",
+       "listObj.remove(&quot;mols2grid-id&quot;, &quot;0&quot;);\n",
+       "listObj.add([{&quot;data-SMILES&quot;: &quot;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCC(NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 0, &quot;data-mols2grid-id-display&quot;: 0, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCC(NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 1, &quot;data-mols2grid-id-display&quot;: 1, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(N2CCC(CNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 2, &quot;data-mols2grid-id-display&quot;: 2, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(N2CCC(CNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 3, &quot;data-mols2grid-id-display&quot;: 3, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 4, &quot;data-mols2grid-id-display&quot;: 4, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N(C)CCc4ccccc4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 5, &quot;data-mols2grid-id-display&quot;: 5, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N(C)CCc4ccccc4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;N#CC(=NNc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 6, &quot;data-mols2grid-id-display&quot;: 6, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N#CC(=NNc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCc1nn(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 7, &quot;data-mols2grid-id-display&quot;: 7, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCc1nn(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2n(C)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 8, &quot;data-mols2grid-id-display&quot;: 8, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2n(C)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3cccc(S(N)(=O)=O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 9, &quot;data-mols2grid-id-display&quot;: 9, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3cccc(S(N)(=O)=O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 10, &quot;data-mols2grid-id-display&quot;: 10, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 11, &quot;data-mols2grid-id-display&quot;: 11, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NCC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 12, &quot;data-mols2grid-id-display&quot;: 12, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NCC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 13, &quot;data-mols2grid-id-display&quot;: 13, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(NS(C)(=O)=O)cc3)nc(-c3ccc(C)o3)n2)n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 14, &quot;data-mols2grid-id-display&quot;: 14, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(NS(C)(=O)=O)cc3)nc(-c3ccc(C)o3)n2)n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 15, &quot;data-mols2grid-id-display&quot;: 15, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(C)cccc3s2)CC1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 16, &quot;data-mols2grid-id-display&quot;: 16, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(C)cccc3s2)CC1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(NCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 17, &quot;data-mols2grid-id-display&quot;: 17, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(NCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 18, &quot;data-mols2grid-id-display&quot;: 18, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 19, &quot;data-mols2grid-id-display&quot;: 19, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 20, &quot;data-mols2grid-id-display&quot;: 20, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCc2ccc(S(N)(=O)=O)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 21, &quot;data-mols2grid-id-display&quot;: 21, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCc2ccc(S(N)(=O)=O)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 22, &quot;data-mols2grid-id-display&quot;: 22, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 23, &quot;data-mols2grid-id-display&quot;: 23, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(I)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 24, &quot;data-mols2grid-id-display&quot;: 24, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(I)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 25, &quot;data-mols2grid-id-display&quot;: 25, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCOCCOC)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 26, &quot;data-mols2grid-id-display&quot;: 26, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCOCCOC)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 27, &quot;data-mols2grid-id-display&quot;: 27, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 28, &quot;data-mols2grid-id-display&quot;: 28, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 29, &quot;data-mols2grid-id-display&quot;: 29, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 30, &quot;data-mols2grid-id-display&quot;: 30, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span 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class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)C(C)C4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2n(CC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 83, &quot;data-mols2grid-id-display&quot;: 83, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2n(CC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 84, &quot;data-mols2grid-id-display&quot;: 84, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OCCO)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 85, &quot;data-mols2grid-id-display&quot;: 85, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OCCO)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 86, &quot;data-mols2grid-id-display&quot;: 86, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)CCNCCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 87, &quot;data-mols2grid-id-display&quot;: 87, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)CCNCCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)c(F)c5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 88, &quot;data-mols2grid-id-display&quot;: 88, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)c(F)c5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CS(=O)(=O)N1CCN(CCn2ncc3c2nc(N)n2c(=O)n(Cc4cccc(Cl)c4)nc32)CC1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 89, &quot;data-mols2grid-id-display&quot;: 89, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CS(=O)(=O)N1CCN(CCn2ncc3c2nc(N)n2c(=O)n(Cc4cccc(Cl)c4)nc32)CC1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 90, &quot;data-mols2grid-id-display&quot;: 90, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)CCNCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 91, &quot;data-mols2grid-id-display&quot;: 91, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)CCNCc3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 92, &quot;data-mols2grid-id-display&quot;: 92, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 93, &quot;data-mols2grid-id-display&quot;: 93, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)nc2c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 94, &quot;data-mols2grid-id-display&quot;: 94, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)nc2c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 95, &quot;data-mols2grid-id-display&quot;: 95, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}]);\n",
+       "\n",
+       "\n",
+       "// filter\n",
+       "if (window.parent.mols2grid_lists === undefined) {\n",
+       "    window.parent.mols2grid_lists = {};\n",
+       "}\n",
+       "window.parent.mols2grid_lists[&quot;default&quot;] = listObj;\n",
+       "\n",
+       "\n",
+       "// selection\n",
+       "class MolStorage extends Map {\n",
+       "    multi_set(_id, _smiles) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.set(_id[i], _smiles[i])\n",
+       "        }\n",
+       "    }\n",
+       "    multi_del(_id) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.delete(_id[i])\n",
+       "        }\n",
+       "    }\n",
+       "    to_dict() {\n",
+       "        var content = &#x27;{&#x27;\n",
+       "        for (let [key, value] of this) {\n",
+       "            content += key + &#x27;:&#x27; + JSON.stringify(value) + &#x27;,&#x27;\n",
+       "        }\n",
+       "        content = content.length &gt; 1 ? content.slice(0, -1) : content\n",
+       "        content += &#x27;}&#x27;\n",
+       "        return content\n",
+       "    }\n",
+       "    to_keys() {\n",
+       "        var content = []\n",
+       "        for (let [key] of this) {\n",
+       "            content.push(key)\n",
+       "        }\n",
+       "        return content\n",
+       "    }\n",
+       "    download_smi(fileName, allItems) {\n",
+       "        var content = &#x27;&#x27;\n",
+       "\n",
+       "        if (allItems) {\n",
+       "            // Gather all smiles\n",
+       "            for (var item of allItems) {\n",
+       "                var smiles = item.values()[&#x27;data-SMILES&#x27;]\n",
+       "                var id = item.values()[&#x27;mols2grid-id&#x27;]\n",
+       "                content += smiles + &#x27; &#x27; + id + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        } else {\n",
+       "            // Gather selected smiles\n",
+       "            for (let [key, value] of this) {\n",
+       "                content += value + &#x27; &#x27; + key + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        }\n",
+       "\n",
+       "        var a = document.createElement(&#x27;a&#x27;)\n",
+       "        var file = new Blob([content], { type: &#x27;text/plain&#x27; })\n",
+       "        a.href = URL.createObjectURL(file)\n",
+       "        a.download = fileName\n",
+       "        a.click()\n",
+       "        a.remove()\n",
+       "    }\n",
+       "}\n",
+       "var SELECTION = new MolStorage();\n",
+       "\n",
+       "\n",
+       "\n",
+       "// kernel\n",
+       "function add_selection(grid_id, _id, smiles) {\n",
+       "    SELECTION.multi_set(_id, smiles);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "function del_selection(grid_id, _id) {\n",
+       "    SELECTION.multi_del(_id);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "if (window.parent.IPython !== undefined) {\n",
+       "    // Jupyter notebook\n",
+       "    var kernel_env = &quot;jupyter&quot;;\n",
+       "} else if (window.parent.google !== undefined) {\n",
+       "    // Google colab\n",
+       "    var kernel_env = &quot;colab&quot;;\n",
+       "} else {\n",
+       "    var kernel_env = null;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// sort\n",
+       "var sortField = &#x27;mols2grid-id&#x27;\n",
+       "var sortOrder = &#x27;asc&#x27;\n",
+       "\n",
+       "// Sort dropdown\n",
+       "$(&#x27;#mols2grid .m2g-sort select&#x27;).change(sort)\n",
+       "\n",
+       "// Sort order\n",
+       "$(&#x27;#mols2grid .m2g-order&#x27;).click(flipSort)\n",
+       "\n",
+       "function sort(e) {\n",
+       "    if (e) {\n",
+       "        sortField = e.target.value\n",
+       "        var selectedOption = e.target.options[e.target.selectedIndex]\n",
+       "        var sortFieldDisplay = selectedOption.text\n",
+       "    }\n",
+       "\n",
+       "    // Sort\n",
+       "    if (sortField == &#x27;checkbox&#x27;) {\n",
+       "        listObj.sort(&#x27;mols2grid-id&#x27;, {order: sortOrder, sortFunction: checkboxSort})\n",
+       "    } else {\n",
+       "        listObj.sort(sortField, {order: sortOrder, sortFunction: mols2gridSortFunction})\n",
+       "    }\n",
+       "\n",
+       "    // Update UI.\n",
+       "    $(this).parent().find(&#x27;.m2g-display&#x27;).text(sortFieldDisplay)\n",
+       "}\n",
+       "\n",
+       "// prettier-ignore\n",
+       "function flipSort() {\n",
+       "    $(this).parent().removeClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sortOrder = sortOrder === &#x27;desc&#x27; ? &#x27;asc&#x27; : &#x27;desc&#x27;\n",
+       "    $(this).parent().addClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sort()\n",
+       "}\n",
+       "\n",
+       "function mols2gridSortFunction(itemA, itemB, options) {\n",
+       "    var x = itemA.values()[options.valueName]\n",
+       "    var y = itemB.values()[options.valueName]\n",
+       "    if (typeof x === &#x27;number&#x27;) {\n",
+       "        if (isFinite(x - y)) {\n",
+       "            return x - y\n",
+       "        } else {\n",
+       "            return isFinite(x) ? -1 : 1\n",
+       "        }\n",
+       "    } else {\n",
+       "        x = x ? x.toLowerCase() : x\n",
+       "        y = y ? y.toLowerCase() : y\n",
+       "        return x &lt; y ? -1 : x &gt; y ? 1 : 0\n",
+       "    }\n",
+       "}\n",
+       "function checkboxSort(itemA, itemB, options) {\n",
+       "    if (itemA.elm !== undefined) {\n",
+       "        var checkedA = itemA.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "        if (itemB.elm !== undefined) {\n",
+       "            var checkedB = itemB.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "            if (checkedA &amp;&amp; !checkedB) {\n",
+       "                return -1\n",
+       "            } else if (!checkedA &amp;&amp; checkedB) {\n",
+       "                return 1\n",
+       "            } else {\n",
+       "                return 0\n",
+       "            }\n",
+       "        } else {\n",
+       "            return -1\n",
+       "        }\n",
+       "    } else if (itemB.elm !== undefined) {\n",
+       "        return 1\n",
+       "    } else {\n",
+       "        return 0\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// tooltips\n",
+       "$.fn.tooltip.Constructor.Default.whiteList.span = [&#x27;style&#x27;]\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    $(function () {\n",
+       "        // Hide previous popovers.\n",
+       "        $(&#x27;#mols2grid a.page-link&#x27;).click(function(e) {\n",
+       "            $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        });\n",
+       "        // Create new popover.\n",
+       "        $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover({\n",
+       "            placement: &#x27;auto&#x27;,\n",
+       "            trigger: &#x27;manual&#x27;,\n",
+       "            html: true,\n",
+       "            sanitize: false,\n",
+       "        });\n",
+       "    })\n",
+       "});\n",
+       "\n",
+       "\n",
+       "// grid interactions (select, click, tooltip, key events)\n",
+       "// Check if selection UI is supported.\n",
+       "var supportSelection = eval(&#x27;True&#x27;.toLowerCase());\n",
+       "\n",
+       "listObj.on(&quot;updated&quot;, initInteraction);\n",
+       "\n",
+       "// (Re)initialiuze all grid interaction every time the grid changes.\n",
+       "function initInteraction(list) {\n",
+       "    initCellClick()\n",
+       "    initToolTip()\n",
+       "    initKeyboard()\n",
+       "    if (supportSelection) initCheckbox()\n",
+       "\n",
+       "\n",
+       "    // Hide pagination if there is only one page.\n",
+       "    if (listObj.matchingItems.length &lt;= listObj.page) {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).hide()\n",
+       "    } else {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).show()\n",
+       "    }\n",
+       "\n",
+       "    // Add a bunch of phantom cells.\n",
+       "    // These are used as filler to make sure that\n",
+       "    // no grid cells need to be resized when there&#x27;s\n",
+       "    // not enough results to fill the row.\n",
+       "    $(&#x27;#mols2grid .m2g-list&#x27;).append(&#x27;&lt;div class=&quot;m2g-cell m2g-phantom&quot;&gt;&lt;/div&gt;&#x27;.repeat(11));\n",
+       "}\n",
+       "\n",
+       "// Cell click handler.\n",
+       "function initCellClick() {\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;click&#x27;).click(function(e) {\n",
+       "        if ($(e.target).hasClass(&#x27;m2g-info&#x27;) || $(e.target).is(&#x27;:checkbox&#x27;)) {\n",
+       "            // Info button / Checkbox --&gt; do nothing.\n",
+       "        } else if ($(e.target).is(&#x27;div&#x27;) &amp;&amp; $(e.target).hasClass(&#x27;data&#x27;)) {\n",
+       "            // Data string --&gt; copy text.\n",
+       "            copyOnClick(e.target)\n",
+       "        } else if ($(e.target).hasClass(&#x27;m2g-callback&#x27;)) {\n",
+       "            // Callback button.\n",
+       "            onCallbackButtonClick(e.target)\n",
+       "        } else {\n",
+       "            // Outside checkbox --&gt; toggle the checkbox.\n",
+       "            if (supportSelection) {\n",
+       "                var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "                chkbox.checked = !chkbox.checked\n",
+       "                $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Store an element&#x27;s text content in the clipboard.\n",
+       "function copyOnClick(target) {\n",
+       "    var text = $(target).text()\n",
+       "    navigator.clipboard.writeText(text)\n",
+       "\n",
+       "    // Blink the cell to indicate that the text was copied.\n",
+       "    $(target).addClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    setTimeout(function() {\n",
+       "        $(target).removeClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    }, 450)\n",
+       "}\n",
+       "\n",
+       "// Keyboard actions.\n",
+       "function initKeyboard() {\n",
+       "    // Disable scroll when pressing UP/DOWN arrows\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keydown&#x27;).keydown(function(e) {\n",
+       "        if (e.which == 38 || e.which == 40) {\n",
+       "            e.preventDefault()\n",
+       "        }\n",
+       "    })\n",
+       "\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keyup&#x27;).keyup(function(e) {\n",
+       "        var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "        if (e.which == 13) {\n",
+       "            // ENTER: toggle\n",
+       "            chkbox.checked = !chkbox.checked\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 27 || e.which == 8) {\n",
+       "            // ESC/BACKSPACE: unselect\n",
+       "            chkbox.checked = false\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 37) {\n",
+       "            // LEFT\n",
+       "            $(this).prev().focus()\n",
+       "        } else if (e.which == 39) {\n",
+       "            // RIGHT\n",
+       "            $(this).next().focus()\n",
+       "        } else if (e.which == 38 || e.which == 40) {\n",
+       "            var containerWidth = $(this).parent().outerWidth()\n",
+       "            var cellWidth = $(this).outerWidth() + parseInt($(this).css(&#x27;marginLeft&#x27;)) * 2\n",
+       "            var columns = Math.round(containerWidth / cellWidth)\n",
+       "            var index = $(this).index()\n",
+       "            if (e.which == 38) {\n",
+       "                // UP\n",
+       "                var indexAbove = Math.max(index - columns, 0)\n",
+       "                $(this).parent().children().eq(indexAbove).focus()\n",
+       "            } else if (e.which == 40) {\n",
+       "                // DOWN    \n",
+       "                var total = $(this).parent().children().length\n",
+       "                var indexBelow = Math.min(index + columns, total)\n",
+       "                $(this).parent().children().eq(indexBelow).focus()\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Show tooltip when hovering the info icon.\n",
+       "function initToolTip() {\n",
+       "    $(&#x27;#mols2grid .m2g-info&#x27;).off(&#x27;mouseenter&#x27;).off(&#x27;mouseleave&#x27;).off(&#x27;click&#x27;).mouseenter(function() {\n",
+       "        // Show on enter\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        $(&#x27;body &gt; .popover&#x27;).click(function(e) {\n",
+       "            if ($(e.target).hasClass(&#x27;copy-me&#x27;)) {\n",
+       "                copyOnClick(e.target)\n",
+       "            } else if ($(e.target).is(&#x27;button&#x27;)) {\n",
+       "                \n",
+       "            }\n",
+       "        })\n",
+       "    }).mouseleave(function() {\n",
+       "        // Hide on leave, unless sticky.\n",
+       "        if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    }).click(function() {\n",
+       "        // Toggle sticky on click.\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).toggleClass(&#x27;m2g-keep-tooltip&#x27;)\n",
+       "\n",
+       "        // Hide tooltip when sticky was turned off.\n",
+       "        if ($(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        } else if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Update selection on checkbox click.\n",
+       "function initCheckbox() {\n",
+       "    $(&quot;input:checkbox&quot;).off(&#x27;change&#x27;).change(function() {\n",
+       "        var _id = parseInt($(this).closest(&quot;.m2g-cell&quot;).attr(&quot;data-mols2grid-id&quot;));\n",
+       "        if (this.checked) {\n",
+       "            var _smiles = $($(this).closest(&quot;.m2g-cell&quot;).children(&quot;.data-SMILES&quot;)[0]).text();\n",
+       "            add_selection(&quot;default&quot;, [_id], [_smiles]);\n",
+       "        } else {\n",
+       "            del_selection(&quot;default&quot;, [_id]);\n",
+       "        }\n",
+       "    });\n",
+       "}\n",
+       "\n",
+       "// Callback button\n",
+       "function onCallbackButtonClick(target) {\n",
+       "    var data = {}\n",
+       "    data[&quot;mols2grid-id&quot;] = parseInt($(target).closest(&quot;.m2g-cell&quot;)\n",
+       "                                            .attr(&quot;data-mols2grid-id&quot;));\n",
+       "    data[&quot;img&quot;] = $(target).parent().siblings(&quot;.data-img&quot;).eq(0).get(0).innerHTML;\n",
+       "    $(target).parent().siblings(&quot;.data&quot;).not(&quot;.data-img&quot;).each(function() {\n",
+       "        let name = this.className.split(&quot; &quot;)\n",
+       "            .filter(cls =&gt; cls.startsWith(&quot;data-&quot;))[0]\n",
+       "            .substring(5);\n",
+       "        data[name] = this.innerHTML;\n",
+       "    });\n",
+       "\n",
+       "    \n",
+       "    // Call custom js callback.\n",
+       "    None\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Actions\n",
+       " */\n",
+       "\n",
+       "// Listen to action dropdown.\n",
+       "$(&#x27;#mols2grid .m2g-actions select&#x27;).change(function(e) {\n",
+       "    var val = e.target.value\n",
+       "    switch(val) {\n",
+       "        case &#x27;select-all&#x27;:\n",
+       "            selectAll()\n",
+       "            break\n",
+       "        case &#x27;select-matching&#x27;:\n",
+       "            selectMatching()\n",
+       "            break\n",
+       "        case &#x27;unselect-all&#x27;:\n",
+       "            unselectAll()\n",
+       "            break\n",
+       "        case &#x27;invert&#x27;:\n",
+       "            invertSelection()\n",
+       "            break\n",
+       "        case &#x27;copy&#x27;:\n",
+       "            copy()\n",
+       "            break\n",
+       "        case &#x27;save-smiles&#x27;:\n",
+       "            saveSmiles()\n",
+       "            break\n",
+       "        case &#x27;save-csv&#x27;:\n",
+       "            saveCSV()\n",
+       "            break\n",
+       "    }\n",
+       "    $(this).val(&#x27;&#x27;) // Reset dropdown\n",
+       "})\n",
+       "\n",
+       "// Check all.\n",
+       "function selectAll(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "\n",
+       "// Check matching.\n",
+       "function selectMatching(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.matchingItems.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Uncheck all.\n",
+       "function unselectAll(e) {\n",
+       "    var _id = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id);\n",
+       "};\n",
+       "\n",
+       "// Invert selection.\n",
+       "function invertSelection(e) {\n",
+       "    var _id_add = [];\n",
+       "    var _id_del = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        if (chkbox.checked) {\n",
+       "            _id_add.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "            _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "        } else {\n",
+       "            _id_del.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        }\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id_del);\n",
+       "    add_selection(&quot;default&quot;, _id_add, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Copy to clipboard.\n",
+       "function copy(e) {\n",
+       "    // navigator.clipboard.writeText(SELECTION.to_dict());\n",
+       "    content = _renderCSV(&#x27;\\t&#x27;)\n",
+       "    navigator.clipboard.writeText(content)\n",
+       "};\n",
+       "\n",
+       "// Export smiles.\n",
+       "function saveSmiles(e) {\n",
+       "    var fileName = &quot;selection.smi&quot;\n",
+       "    if (SELECTION.size) {\n",
+       "        // Download selected smiles\n",
+       "        SELECTION.download_smi(fileName);\n",
+       "    } else {\n",
+       "        // Download all smiles\n",
+       "        SELECTION.download_smi(fileName, listObj.items);\n",
+       "    }\n",
+       "};\n",
+       "\n",
+       "// Export CSV.\n",
+       "function saveCSV(e) {\n",
+       "    content = _renderCSV(&#x27;;&#x27;)\n",
+       "    var a = document.createElement(&quot;a&quot;);\n",
+       "    var file = new Blob([content], {type: &quot;text/csv&quot;});\n",
+       "    a.href = URL.createObjectURL(file);\n",
+       "    a.download = &quot;selection.csv&quot;;\n",
+       "    a.click();\n",
+       "    a.remove();\n",
+       "};\n",
+       "\n",
+       "// Render CSV for export of clipboard.\n",
+       "function _renderCSV(sep) {\n",
+       "    // Same order as subset + tooltip\n",
+       "    var columns = Array.from(listObj.items[0].elm.querySelectorAll(&quot;div.data&quot;))\n",
+       "        .map(elm =&gt; elm.classList[1])\n",
+       "        .filter(name =&gt; name !== &quot;data-img&quot;);\n",
+       "    // Remove &#x27;data-&#x27; and img\n",
+       "    var header = columns.map(name =&gt; name.slice(5));\n",
+       "    // CSV content\n",
+       "    header = [&quot;index&quot;].concat(header).join(sep);\n",
+       "    var content = header + &quot;\\n&quot;;\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        let data = item.values();\n",
+       "        let index = data[&quot;mols2grid-id&quot;];\n",
+       "        if (SELECTION.has(index) || SELECTION.size === 0) {\n",
+       "            content += index;\n",
+       "            columns.forEach((key) =&gt; {\n",
+       "                content += sep + data[key];\n",
+       "            })\n",
+       "            content += &quot;\\n&quot;;\n",
+       "        }\n",
+       "    });\n",
+       "    return content\n",
+       "}\n",
+       "\n",
+       "\n",
+       "// generate images for the currently displayed molecules\n",
+       "var draw_opts = {&quot;n_cols&quot;: 5, &quot;width&quot;: 130, &quot;height&quot;: 90};\n",
+       "var json_draw_opts = JSON.stringify(draw_opts);\n",
+       "\n",
+       "var smarts_matches = {};\n",
+       "\n",
+       "// Load RDKit\n",
+       "window\n",
+       ".initRDKitModule()\n",
+       ".then(function(RDKit) {\n",
+       "    console.log(&#x27;RDKit version: &#x27;, RDKit.version());\n",
+       "    window.RDKit = RDKit;\n",
+       "    window.RDKitModule = RDKit;\n",
+       "\n",
+       "    // Searchbar\n",
+       "    function SmartsSearch(query, columns) {\n",
+       "    var smiles_col = columns[0];\n",
+       "    smarts_matches = {};\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var qmol = RDKit.get_qmol(query);\n",
+       "    if (qmol.is_valid()) {\n",
+       "        listObj.items.forEach(function (item) {\n",
+       "            var smiles = item.values()[smiles_col]\n",
+       "            var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "            if (mol.is_valid()) {\n",
+       "                var results = mol.get_substruct_matches(qmol);\n",
+       "                if (results === &quot;\\{\\}&quot;) {\n",
+       "                    item.found = false;\n",
+       "                } else {\n",
+       "                    item.found = true;\n",
+       "                    \n",
+       "                    results = JSON.parse(results);\n",
+       "                    \n",
+       "                    var highlights = {&quot;atoms&quot;: [], &quot;bonds&quot;: []};\n",
+       "                    results.forEach(function (match) {\n",
+       "                        highlights[&quot;atoms&quot;].push(...match.atoms)\n",
+       "                        highlights[&quot;bonds&quot;].push(...match.bonds)\n",
+       "                    });\n",
+       "                    \n",
+       "                    var index = item.values()[&quot;mols2grid-id&quot;];\n",
+       "                    smarts_matches[index] = highlights;\n",
+       "                    \n",
+       "                }\n",
+       "            } else {\n",
+       "                item.found = false;\n",
+       "            }\n",
+       "            mol.delete();\n",
+       "        });\n",
+       "    }\n",
+       "    qmol.delete();\n",
+       "}\n",
+       "var search_type = &quot;Text&quot;;\n",
+       "// Temporary fix for regex characters being escaped by list.js\n",
+       "// This extends String.replace to ignore the regex pattern used by list.js and returns\n",
+       "// the string unmodified. Other calls should not be affected, unless they use the exact\n",
+       "// same pattern and replacement value.\n",
+       "// TODO: remove once the issue is fixed in list.js and released\n",
+       "String.prototype.replace = (function(_super) {\n",
+       "    return function() {\n",
+       "        if (\n",
+       "            (arguments[0].toString() === &#x27;/[-[\\\\]{}()*+?.,\\\\\\\\^$|#]/g&#x27;)\n",
+       "            &amp;&amp; (arguments[1] === &#x27;\\\\$&amp;&#x27;)\n",
+       "        ) {\n",
+       "            if (this.length === 0) {\n",
+       "                return &#x27;&#x27;\n",
+       "            }\n",
+       "            return this\n",
+       "        }\n",
+       "        return _super.apply(this, arguments);\n",
+       "    };         \n",
+       "})(String.prototype.replace);\n",
+       "\n",
+       "// Switch search type (Text or SMARTS)\n",
+       "$(&#x27;#mols2grid .m2g-search-options .m2g-option&#x27;).click(function() {\n",
+       "    search_type = $(this).text();\n",
+       "    $(&#x27;#mols2grid .m2g-search-options .m2g-option.sel&#x27;).removeClass(&quot;sel&quot;);\n",
+       "    $(this).addClass(&quot;sel&quot;);\n",
+       "});\n",
+       "\n",
+       "// Searchbar update event handler\n",
+       "$(&#x27;#mols2grid .m2g-searchbar&#x27;).on(&quot;keyup&quot;, function(e) {\n",
+       "    var query = e.target.value;\n",
+       "    if (search_type === &quot;Text&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        listObj.search(query, [&#x27;data-mols2grid-id&#x27;, &#x27;data-SMILES&#x27;]);\n",
+       "    } else {\n",
+       "        listObj.search(query, [&quot;data-SMILES&quot;], SmartsSearch);\n",
+       "    }\n",
+       "});\n",
+       "\n",
+       "    \n",
+       "    // Generate images for the currently displayed molecules.\n",
+       "RDKit.prefer_coordgen(true);\n",
+       "function draw_mol(smiles, index, template_mol) {\n",
+       "    var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "    var svg = &quot;&quot;;\n",
+       "    if (mol.is_valid()) {\n",
+       "        var highlights = smarts_matches[index];\n",
+       "        if (highlights) {\n",
+       "            var details = Object.assign({}, draw_opts, highlights);\n",
+       "            details = JSON.stringify(details);\n",
+       "            mol.generate_aligned_coords(template_mol, true);\n",
+       "        } else {\n",
+       "            var details = json_draw_opts;\n",
+       "        }\n",
+       "        svg = mol.get_svg_with_highlights(details);\n",
+       "    }\n",
+       "    mol.delete();\n",
+       "    if (svg == &quot;&quot;) {\n",
+       "        return &#x27;&lt;svg width=&quot;130&quot; height=&quot;90&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot; version=&quot;1.1&quot; viewBox=&quot;0 0 130 90&quot;&gt;&lt;/svg&gt;&#x27;;\n",
+       "    }\n",
+       "    return svg;\n",
+       "}\n",
+       "\n",
+       "// Update images when the list is updated.\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var template_mol;\n",
+       "    if (query === &quot;&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        template_mol = null;\n",
+       "    } else {\n",
+       "        template_mol = RDKit.get_qmol(query);\n",
+       "        template_mol.set_new_coords(true);\n",
+       "    }\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).each(function() {\n",
+       "        var $t = $(this);\n",
+       "        var smiles = $t.children(&quot;.data-SMILES&quot;).first().text();\n",
+       "        var index = parseInt(this.getAttribute(&quot;data-mols2grid-id&quot;));\n",
+       "        var svg = draw_mol(smiles, index, template_mol);\n",
+       "        $t.children(&quot;.data-img&quot;).html(svg);\n",
+       "    });\n",
+       "    if (template_mol) {\n",
+       "        template_mol.delete();\n",
+       "    }\n",
+       "});\n",
+       "    \n",
+       "\n",
+       "    // Trigger update to activate tooltips, draw images, setup callbacks...\n",
+       "    listObj.update();\n",
+       "    \n",
+       "    // Set iframe height to fit content.\n",
+       "    fitIframe(window.frameElement);\n",
+       "});\n",
+       "        &lt;/script&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/body&gt;\n",
+       "&lt;/html&gt;\n",
+       "\">\n",
+       "</iframe>"
+      ],
+      "text/plain": [
+       "<IPython.core.display.HTML object>"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.grid_visualizers import smiles_to_grid, interactive_grid\n",
+    "\n",
+    "# aromatic sulfonamides\n",
+    "smiles_to_grid(dataset.searchWithIndex(test_indices[0]).smiles, impl=interactive_grid)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "8f92bc4021bc49d881f3f685df6c890e",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "MolGridWidget()"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<style>\n",
+       "    /* Some CSS to integrate with Jupyter more cleanly */\n",
+       "    div.output_subarea {\n",
+       "        /* Undo an unfortunate max-width parameter\n",
+       "        that causes the output area to be too narrow\n",
+       "        on smaller screens. */\n",
+       "        max-width: none;\n",
+       "\n",
+       "        /* Align the table with the content */\n",
+       "        padding: 0;\n",
+       "\n",
+       "        /* Let it breathe */\n",
+       "        margin-top: 20px;\n",
+       "    }\n",
+       "</style>\n",
+       "\n",
+       "<iframe class=\"mols2grid-iframe\" frameborder=\"0\" width=\"100%\"\n",
+       "    \n",
+       "    \n",
+       "    allow=\"clipboard-write\"\n",
+       "    \n",
+       "    \n",
+       "    sandbox=\"allow-scripts allow-same-origin allow-downloads allow-popups allow-modals\"\n",
+       "    \n",
+       "    srcdoc=\"\n",
+       "\n",
+       "\n",
+       "\n",
+       "&lt;html lang=&quot;en&quot;&gt;\n",
+       "    &lt;head&gt;\n",
+       "        &lt;meta charset=&quot;UTF-8&quot; /&gt;\n",
+       "        &lt;meta http-equiv=&quot;X-UA-Compatible&quot; content=&quot;IE=edge&quot; /&gt;\n",
+       "        &lt;meta name=&quot;viewport&quot; content=&quot;width=device-width, initial-scale=1.0&quot; /&gt;\n",
+       "        &lt;title&gt;Document!&lt;/title&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;style&gt;\n",
+       "            /**\n",
+       " * General styling\n",
+       " */\n",
+       "body {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "}\n",
+       "h1,h2,h3,h4 {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "h1 {\n",
+       "    font-size: 26px;\n",
+       "}\n",
+       "h2 {\n",
+       "    font-size: 20px;\n",
+       "    font-weight: 400;\n",
+       "}\n",
+       "h3 {\n",
+       "\tfont-size: 16px;\n",
+       "}\n",
+       "p {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/* Remove body margin inside iframe */\n",
+       "body.m2g-inside-iframe {\n",
+       "    margin: 0;\n",
+       "}\n",
+       "\n",
+       "/* In-cell text */\n",
+       "#mols2grid .data:not(.data-img) {\n",
+       "    height: 16px;\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "/* Text truncation */\n",
+       "#mols2grid .data {\n",
+       "    /* Break text into multiple lines (default for static)... */\n",
+       "    word-wrap: normal;\n",
+       "\n",
+       "    /* ...or truncate it (default for interactive). */\n",
+       "    overflow: hidden;\n",
+       "    white-space: nowrap;\n",
+       "    text-overflow: ellipsis;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Popover\n",
+       " * - - -\n",
+       " * Note: this is a bootstrap variable which is not namespaced.\n",
+       " * To avoid any contamination, we only style it when the\n",
+       " * x-placement parameter is set.\n",
+       " */\n",
+       ".popover[x-placement] {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    background: white;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    font-size: 12px;\n",
+       "    padding: 10px;\n",
+       "    border-radius: 5px;\n",
+       "    box-shadow: 0 0 20px rgba(0,0,0,.15);\n",
+       "    user-select: none;\n",
+       "}\n",
+       ".popover[x-placement] h3 {\n",
+       "    margin: 0;\n",
+       "}\n",
+       ".popover[x-placement] .arrow {\n",
+       "    width: 10px;\n",
+       "    height: 10px;\n",
+       "    background: #fff;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    box-sizing: border-box;\n",
+       "    position: absolute;\n",
+       "    transform-origin: 5px 5px;\n",
+       "    clip-path: polygon(0 0, 100% 0, 100% 100%);\n",
+       "}\n",
+       ".popover[x-placement=&#x27;left&#x27;] .arrow {\n",
+       "    transform: rotate(45deg);\n",
+       "    top: 50%;\n",
+       "    right: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;right&#x27;] .arrow {\n",
+       "    transform: rotate(-135deg);\n",
+       "    top: 50%;\n",
+       "    left: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;top&#x27;] .arrow {\n",
+       "    transform: rotate(135deg);\n",
+       "    left: 50%;\n",
+       "    bottom: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;bottom&#x27;] .arrow {\n",
+       "    transform: rotate(-45deg);\n",
+       "    left: 50%;\n",
+       "    top: -5px;\n",
+       "}\n",
+       "            body {\n",
+       "    /* Colors */\n",
+       "    --m2g-black: rgba(0,0,0,.75);\n",
+       "    --m2g-black-soft: rgba(0,0,0,.35);\n",
+       "    --m2g-black-10: rgba(0,0,0,.1);\n",
+       "    --m2g-bg: #f6f6f6;\n",
+       "    --m2g-border: solid 1px rgba(0,0,0,0.2);\n",
+       "    --m2g-hl: #555; /* Highlight color */\n",
+       "    --m2g-hl-shadow: inset 0 0 0 1px var(--m2g-hl); /* Inset 1px shadow to make border thicker */\n",
+       "    --m2g-blue: #0f62fe;\n",
+       "    --m2g-blue-soft: rgba(15,98,254,.2);\n",
+       "\n",
+       "    /* Icons */\n",
+       "    --m2g-icn-triangle: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;rgba(0,0,0,.75)&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-triangle-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;white&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-cb-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;16&quot; height=&quot;16&quot; viewBox=&quot;0 0 16 16&quot; fill=&quot;none&quot; stroke=&quot;white&quot; stroke-width=&quot;2.5&quot; stroke-linecap=&quot;round&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M4 7.65686L7 10.6569L12.6569 5.00001&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    \n",
+       "    /* Border radius */\n",
+       "    --m2g-br: 3px;\n",
+       "    --m2g-br-l: var(--m2g-br) 0 0 var(--m2g-br); /* Left-only */\n",
+       "    --m2g-br-r: 0 var(--m2g-br) var(--m2g-br) 0; /* Right-only */\n",
+       "\n",
+       "    /* Text */\n",
+       "    --m2g-fs: 14px; /* UI font-size */\n",
+       "    --m2g-fs-cell: 12px; /* Cell font-size */\n",
+       "\n",
+       "    /* Transition speeds */\n",
+       "    --m2g-trans: 150ms;\n",
+       "\n",
+       "    /* Layout */\n",
+       "    --m2g-h: 40px; /* Form element height */\n",
+       "}\n",
+       "\n",
+       "/* Styling */\n",
+       "#mols2grid {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    font-size: var(--m2g-fs);\n",
+       "}\n",
+       "\n",
+       "/* Fixes */\n",
+       "#mols2grid *,\n",
+       "#mols2grid *::before,\n",
+       "#mols2grid *::after {\n",
+       "    box-sizing: border-box;\n",
+       "    outline: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-functions {\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row {\n",
+       "    flex: 0;\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Individual elements don&#x27;t scale */\n",
+       "#mols2grid .m2g-functions .m2g-row &gt; * {\n",
+       "    flex: 0 0;\n",
+       "    margin-right: 10px;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row:last-child &gt; *:last-child {\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Row 1: pagination + gap + sort */\n",
+       "#mols2grid .m2g-functions .m2g-row:first-child {\n",
+       "    flex: 1; /* Scale */\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-gap {\n",
+       "    /* The gap in between will scale, so the pagination\n",
+       "    stays on the left, while the rest moves to the right */\n",
+       "    flex: 1;\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Pagination\n",
+       " */\n",
+       "\n",
+       "#mols2grid ul.m2g-pagination {\n",
+       "    /* Unset defaults */\n",
+       "    list-style-type: none;\n",
+       "    margin-block-start: 0;\n",
+       "    margin-block-end: 0;\n",
+       "    margin-inline-start: 0;\n",
+       "    margin-inline-end: 0;\n",
+       "    padding-inline-start: 0;\n",
+       "\n",
+       "    /* Custom */\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li {\n",
+       "    background: var(--m2g-bg) ;\n",
+       "    border: var(--m2g-border);\n",
+       "    height: var(--m2g-h);\n",
+       "    min-width: calc(var(--m2g-h) + 1px);\n",
+       "    position: relative;\n",
+       "    user-select: none;\n",
+       "    \n",
+       "    /* Compensate for double border */\n",
+       "    margin-right: -1px;\n",
+       "    \n",
+       "    /* Center text */\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    min-width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li a {\n",
+       "    text-decoration: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    padding: 0 10px;\n",
+       "    width: 100%;\n",
+       "    height: var(--m2g-h);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    text-align: center;\n",
+       "    /* Compensate for border so there&#x27;s no gap between click areas  */\n",
+       "    margin: 0 -1px;\n",
+       "}\n",
+       "\n",
+       "/* Corner shape */\n",
+       "#mols2grid ul.m2g-pagination li:first-child {\n",
+       "    border-radius: var(--m2g-br-l);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    border-radius: var(--m2g-br-r);\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid ul.m2g-pagination li:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "\n",
+       "/* Active state */\n",
+       "#mols2grid ul.m2g-pagination li.active {\n",
+       "    background: var(--m2g-hl);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li.active a {\n",
+       "    cursor: default;\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "/* Disabled sate */\n",
+       "#mols2grid ul.m2g-pagination li.disabled a {\n",
+       "    cursor: default;\n",
+       "    color: rgba(0,0,0,.25);\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Dropdowns\n",
+       " */\n",
+       "\n",
+       "#mols2grid ::placeholder {\n",
+       "    color: var(--m2g-black-soft);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown {\n",
+       "    height: var(--m2g-h);\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    position: relative;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown select {\n",
+       "    -webkit-appearance: none;\n",
+       "    -moz-appearance: none;\n",
+       "    -ms-appearance: none;\n",
+       "    appearance: none;\n",
+       "    background: transparent;\n",
+       "    border: none;\n",
+       "    height: 100%;\n",
+       "    padding: 0 13px;\n",
+       "    min-width: 0;\n",
+       "    max-width: 250px;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "/* Icon */\n",
+       "#mols2grid .m2g-dropdown .m2g-icon {\n",
+       "    width: 30px;\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg:not(.m2g-stroke) {\n",
+       "    fill: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg.m2g-stroke {\n",
+       "    stroke: var(--m2g-black);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "/* We hide the native select element because\n",
+       " * it is limited in styling. Instead, we display\n",
+       " * the selected value in a div. */\n",
+       "#mols2grid .m2g-dropdown .m2g-display {\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    right: 0;\n",
+       "    top: 0;\n",
+       "    bottom: 0;\n",
+       "    pointer-events: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    padding: 0 25px 0 13px;\n",
+       "\n",
+       "    /* Truncate dropdown text */\n",
+       "    white-space: nowrap;\n",
+       "\ttext-overflow: ellipsis;\n",
+       "\toverflow: hidden;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Action dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-actions {\n",
+       "    width: var(--m2g-h);\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions select {\n",
+       "    opacity: 0;\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions .m2g-icon {\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Sort dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-sort {\n",
+       "    flex: 0 0 200px;\n",
+       "    width: 200px; /* Needed in addition to flex-basis for small sizes! */\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    background: var(--m2g-bg);\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Dropdown */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort select {\n",
+       "    flex: 1 1;\n",
+       "    opacity: 0;\n",
+       "    /* padding-right: 70px; Space for &quot;Sort:&quot; */\n",
+       "    box-sizing: border-box;\n",
+       "}\n",
+       "\n",
+       "/* Sort order */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-order {\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    flex: 0 0 30px;\n",
+       "    height: 100%;\n",
+       "    border-left: var(--m2g-border);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort.m2d-arrow-desc .m2g-order {\n",
+       "    transform: rotate(180deg);\n",
+       "    border-left: none;\n",
+       "    border-right: var(--m2g-border);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display {\n",
+       "    right: 31px;\n",
+       "    padding-right: 13px;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display::before {\n",
+       "    content: &#x27;Sort: &#x27;;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-display,\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-order {\n",
+       "    background-color: transparent;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Search bar\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-search-wrap {\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: flex-end;\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "}\n",
+       "#mols2grid .m2g-searchbar {\n",
+       "    width: 170px;\n",
+       "    height: var(--m2g-h);\n",
+       "    padding: 0 13px;\n",
+       "    border: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: text;\n",
+       "    background: transparent;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-search-wrap:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Option buttons */\n",
+       "#mols2grid .m2g-search-options {\n",
+       "    font-size: 12px;\n",
+       "    display: flex;\n",
+       "    height: calc(1.5em + .75rem);\n",
+       "    line-height: calc(1.5em + .75rem);\n",
+       "    margin-right: 5px;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    color: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option {\n",
+       "    background: var(--m2g-black-10);\n",
+       "    padding: 0 13px;\n",
+       "    cursor: default;\n",
+       "    user-select: none;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:not(.sel) {\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:first-child {\n",
+       "    border-radius: 2px 0 0 2px;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:last-child {\n",
+       "    border-radius: 0 2px 2px 0;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option.sel {\n",
+       "    background: var(--m2g-hl);\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#mols2grid .m2g-list {\n",
+       "    display: flex;\n",
+       "    flex-wrap: wrap;\n",
+       "    align-items: flex-start;\n",
+       "    justify-content: flex-start;\n",
+       "    padding: 1px; /* Compensate for negative padding on cell */\n",
+       "    user-select: none;\n",
+       "    margin: 0px;\n",
+       "    margin-top: 20px;\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "/* Cell */\n",
+       "#mols2grid .m2g-cell {\n",
+       "    border: 1px solid #cccccc;\n",
+       "    text-align: center;\n",
+       "    vertical-align: top;\n",
+       "    font-family: var(--font-family);\n",
+       "    padding: 10px;\n",
+       "    padding-top: max(10px, 20px);\n",
+       "    margin: -1px -1px 0 0;\n",
+       "    flex: 1 0 130px;\n",
+       "    position: relative;\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    cursor: pointer;\n",
+       "    color: var(--m2g-black);\n",
+       "    overflow: hidden;\n",
+       "    box-sizing: border-box;\n",
+       "    background-color: white;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:focus {\n",
+       "    z-index: 1;\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Phantom cells to maintain grid structure with less results */\n",
+       "#mols2grid .m2g-cell.m2g-phantom {\n",
+       "    border: none;\n",
+       "    pointer-events: none;\n",
+       "    height: 0;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "\n",
+       "/* Checkbox &amp; ID */\n",
+       "#mols2grid .m2g-cb-wrap {\n",
+       "    position: absolute;\n",
+       "    top: 3px;\n",
+       "    left: 3px;\n",
+       "    display: flex;\n",
+       "    border-radius: 2px;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    padding: 3px;\n",
+       "    padding-right: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] {\n",
+       "    display: none;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .m2g-cb {\n",
+       "\twidth: 16px;\n",
+       "\theight: 16px;\n",
+       "\tbox-sizing: border-box;\n",
+       "\tbackground: #fff;\n",
+       "\tborder: var(--m2g-border);\n",
+       "\tborder-radius: 2px;\n",
+       "    margin-right: 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox]:checked + .m2g-cb {\n",
+       "    border: none;\n",
+       "    background-color: var(--m2g-blue);\n",
+       "    background-image: var(--m2g-icn-cb-white);\n",
+       "}\n",
+       "#mols2grid .m2g-tooltip {\n",
+       "    /* This is a div spanning full cell size where the\n",
+       "    tooltip is rendered around, because you can&#x27;t attach\n",
+       "    it to the parent due to list.js limitation. */\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    top: 0;\n",
+       "    z-index: -1;\n",
+       "    pointer-events: none;\n",
+       "    opacity: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:has(:checked) {\n",
+       "    background: #ffd !important; /* Overrides user-set background color */\n",
+       "}\n",
+       "#mols2grid .data-mols2grid-id-display {\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .data-mols2grid-id-display {\n",
+       "    padding: 0 5px 0 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap .data-name-display {\n",
+       "    font-size: var(--m2g-fs);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "\n",
+       "/* Info + callback button wrap (28px high) */\n",
+       "#mols2grid .m2g-cell-actions {\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    display: flex;\n",
+       "    flex-direction: row;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    \n",
+       "    /* background: yellow; */\n",
+       "}\n",
+       "\n",
+       "/* Info button */\n",
+       "#mols2grid .m2g-info {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    border-radius: 2px;\n",
+       "    line-height: 28px;\n",
+       "    font-size: min(14px, 12px);\n",
+       "    font-family: Georgia, serif;\n",
+       "    font-style: italic;\n",
+       "    padding: 0;\n",
+       "    text-align: center;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info {\n",
+       "    color: #fff;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info::before {\n",
+       "    content: &#x27;i&#x27;;\n",
+       "    width: 18px;\n",
+       "    height: 18px;\n",
+       "    line-height: 18px;\n",
+       "    background: var(--m2g-hl);\n",
+       "    position: absolute;\n",
+       "    left: 5px;\n",
+       "    top: 5px;\n",
+       "    border-radius: 9px;\n",
+       "}\n",
+       "\n",
+       "/* Callback button */\n",
+       "#mols2grid .m2g-callback {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-callback::after {\n",
+       "    content: &#x27;&#x27;;\n",
+       "    display: block;\n",
+       "    width: 16px;\n",
+       "    height: 16px;\n",
+       "    margin: 6px;\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: 2px;\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    transform: rotate(-90deg);\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#mols2grid .m2g-cell .data-img {\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell img,\n",
+       "#mols2grid .m2g-cell svg {\n",
+       "    max-width: 100%;\n",
+       "    height: auto;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell svg &gt; rect:first-child {\n",
+       "    /* Remove the SVG background */\n",
+       "    fill: transparent !important;\n",
+       "}\n",
+       "\n",
+       "/* Text below image */\n",
+       ".m2g-copy-blink {\n",
+       "    animation: m2g-blink var(--m2g-trans) 3;\n",
+       "}\n",
+       "@keyframes m2g-blink {\n",
+       "    0% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    49% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    50% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "    100% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* Copyable text */\n",
+       ".copy-me {\n",
+       "    position: relative;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Modal popup\n",
+       " * - - -\n",
+       " * Triggered by make_popup_callback()\n",
+       " * See https://mols2grid.readthedocs.io/en/latest/notebooks/callbacks.html#Display-a-popup-containing-descriptors\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#m2g-modal-container {\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    background: var(--m2g-black-10);\n",
+       "    position: fixed;\n",
+       "    top: 0;\n",
+       "    left: 0;\n",
+       "    z-index: 1;\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    \n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transition: opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "\n",
+       "/* Modal */\n",
+       "#m2g-modal {\n",
+       "    background: #fff;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    box-shadow: 0 0 30px var(--m2g-black-10);\n",
+       "    padding: 20px;\n",
+       "    position: relative;\n",
+       "    max-width: calc(100% - 80px);\n",
+       "    max-height: calc(100% - 80px);\n",
+       "    display: flex;\n",
+       "    flex-direction: column;\n",
+       "    min-width: 26px;\n",
+       "\n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transform: translate(0, 5px);\n",
+       "    transition: transform var(--m2g-trans) ease-in-out, opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header {\n",
+       "    flex: 0 0 26px;\n",
+       "    margin-bottom: 10px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 {\n",
+       "    margin-bottom: 0;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 + p {\n",
+       "    font-size: 15px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-body {\n",
+       "    flex: 1;\n",
+       "    position: relative;\n",
+       "}\n",
+       "\n",
+       "/* Transition */\n",
+       "#m2g-modal-container.show {\n",
+       "    opacity: 1;\n",
+       "}\n",
+       "#m2g-modal-container.show #m2g-modal {\n",
+       "    opacity: 1;\n",
+       "    transform: translate(0, 0);\n",
+       "}\n",
+       "\n",
+       "/* Header + close btn */\n",
+       "#m2g-modal h2 {\n",
+       "    line-height: 26px;\n",
+       "    padding-right: 40px;\n",
+       "    text-transform: capitalize;\n",
+       "}\n",
+       "#m2g-modal h3 {\n",
+       "    \n",
+       "}\n",
+       "#m2g-modal button.close {\n",
+       "    background: transparent;\n",
+       "    padding: 0;\n",
+       "    color: var(--m2g-black);\n",
+       "    font-size: 1.5rem;\n",
+       "    width: 40px;\n",
+       "    height: 40px;\n",
+       "    position: absolute;\n",
+       "    top: 13px;\n",
+       "    right: 13px;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#m2g-modal .svg-wrap svg {\n",
+       "    max-width: 100%;\n",
+       "    margin-bottom: 20px;\n",
+       "}\n",
+       "\n",
+       "/* Separator */\n",
+       "hr {\n",
+       "    width: 100%;\n",
+       "    height: 1px;\n",
+       "    background: #ddd;\n",
+       "    margin: 15px 0;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Hover states\n",
+       " */\n",
+       "@media (hover:hover) {\n",
+       "    /* Pagination */\n",
+       "    #mols2grid ul.m2g-pagination li:not(.active):not(.disabled):hover {\n",
+       "        background: #f0f0f0;\n",
+       "        z-index: 1;\n",
+       "    }\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        /* Keeping the hover border consiistent */\n",
+       "        margin-left: 1px;\n",
+       "        border-left: none;\n",
+       "        min-width: 40px;\n",
+       "    }\n",
+       "\n",
+       "    /* Dropdowns &amp; search */\n",
+       "    #mols2grid .m2g-dropdown:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-sort:not(:focus-within) .m2g-order:hover {\n",
+       "        background-color: #f0f0f0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover {\n",
+       "        background: #fff;\n",
+       "        border-color: rgba(0,0,0,.3);\n",
+       "    }\n",
+       "    /* Hocus pocus to have separate hover states for dropdown and arrow */\n",
+       "    #mols2grid .m2g-dropdown.m2g-sort:not(:focus-within):hover .m2g-order:not(:hover) + .m2g-display {\n",
+       "        background-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Search options */\n",
+       "    #mols2grid .m2g-search-options .m2g-option:not(.sel):hover {\n",
+       "        background: rgba(0,0,0,.15);\n",
+       "    }\n",
+       "\n",
+       "    /* Grid */\n",
+       "    /* Note: this is in an ::after pseudo element, so the transparent\n",
+       "    hover color plays nice with the cell background color. */\n",
+       "    #mols2grid .m2g-cell:hover::after {\n",
+       "        content: &#x27;&#x27;;\n",
+       "        width: 100%;\n",
+       "        height: 100%;\n",
+       "        position: absolute;\n",
+       "        top: 0;\n",
+       "        left: 0;\n",
+       "        background-color: rgba(0,0,0,0.05);\n",
+       "        pointer-events: none;\n",
+       "    }\n",
+       "\n",
+       "    /* info button */\n",
+       "    #mols2grid .m2g-info:hover::before {\n",
+       "        content: &#x27;i&#x27;;\n",
+       "        color: #fff;\n",
+       "        width: 18px;\n",
+       "        height: 18px;\n",
+       "        line-height: 18px;\n",
+       "        background: var(--m2g-hl);\n",
+       "        position: absolute;\n",
+       "        left: 5px;\n",
+       "        top: 5px;\n",
+       "        border-radius: 9px;\n",
+       "    }\n",
+       "    \n",
+       "    /* Callback button */\n",
+       "    #mols2grid .m2g-callback:hover::after {\n",
+       "        background-color: var(--m2g-black);\n",
+       "        background-image: var(--m2g-icn-triangle-white);\n",
+       "        border-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Copyable text */\n",
+       "    .copy-me:hover {\n",
+       "        text-decoration: underline;\n",
+       "        text-decoration-color: var(--m2g-blue);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Responsive behavior.\n",
+       " * - - -\n",
+       " * Note: container queries won&#x27;t work in older browsers,\n",
+       " * but this is purely aesthetical behavior so that&#x27;s ok.\n",
+       " * https://caniuse.com/css-container-queries\n",
+       " */\n",
+       "\n",
+       "/* This sets the msg-list div as reference container */\n",
+       "#mols2grid {\n",
+       "    container-type: inline-size;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s not enough space to put everything in one row, we break it into two.\n",
+       " * - - -\n",
+       " * 870px = pagination 280 + sort 200 + search 300 + menu 40 + (3*10 gap) = 850 + 20 buffer.\n",
+       " * Buffer required because the button width inside the search depends on the font.\n",
+       " */\n",
+       "@container (max-width: 870px) {\n",
+       "    #mols2grid .m2g-functions {\n",
+       "        flex-direction: column-reverse;\n",
+       "        gap: 10px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:last-child {\n",
+       "        justify-content: flex-end;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:first-child *:last-child {\n",
+       "        margin-right: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + sort on one row,\n",
+       " * we reduce the sort drodpwon width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    #mols2grid .m2g-functions .m2g-sort {\n",
+       "        width: 80px;\n",
+       "        flex-basis: 80px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display {\n",
+       "        font-size: 0;\n",
+       "        line-height: 0;\n",
+       "        padding-right: 0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display::before {\n",
+       "        content: &#x27;Sort&#x27;;\n",
+       "        font-size: var(--m2g-fs);\n",
+       "        line-height: var(--m2g-h);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + reduced sort on one row,\n",
+       " * we reduce the pagination width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    /* We&#x27;re overriding min-width from different\n",
+       "    locations, including responsive rules */\n",
+       "    #mols2grid ul.m2g-pagination li,\n",
+       "    #mols2grid ul.m2g-pagination li:last-child,\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        min-width: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for searchbar + menu\n",
+       " * we scale down the searchbar to fit the container.\n",
+       " */\n",
+       "@container (max-width: 370px) {\n",
+       "    #mols2grid .m2g-functions .m2g-row .m2g-search-wrap {\n",
+       "        flex: 1;\n",
+       "    }\n",
+       "    #mols2grid .m2g-searchbar {\n",
+       "        width: calc(100% - 50px);\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options {\n",
+       "        width: 50px;\n",
+       "    }\n",
+       "\n",
+       "    /* Collapse options in T/M buttons */\n",
+       "    #mols2grid .m2g-search-options .m2g-option {\n",
+       "        width: 25px;\n",
+       "        text-align: center;\n",
+       "        padding: 0;\n",
+       "        overflow: hidden;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:first-child::before {\n",
+       "        content: &#x27;T\\A&#x27;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:last-child::before {\n",
+       "        content: &#x27;S\\A&#x27;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s room for 5 columns, fall back to 4 */\n",
+       "@container (min-width: 519px) and (max-width: 779px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 4);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 7-11 columns, fall back to 6 */\n",
+       "@container (min-width: 779px) and (max-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 6);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 13+ columns, fall back to 12 */\n",
+       "@container (min-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 12);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "            /* Custom CSS */\n",
+       "            \n",
+       "        &lt;/style&gt;\n",
+       "        &lt;script src=&quot;https://cdnjs.cloudflare.com/ajax/libs/list.js/2.3.1/list.min.js&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://code.jquery.com/jquery-3.6.0.min.js&quot; integrity=&quot;sha256-/xUj+3OJU5yExlq6GSYGSHk7tPXikynS7ogEvDej/m4=&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://unpkg.com/@rdkit/rdkit@2022.3.1/Code/MinimalLib/dist/RDKit_minimal.js&quot;&gt;&lt;/script&gt;\n",
+       "        &lt;script&gt;\n",
+       "    // Set iframe height to fit content.\n",
+       "    function fitIframe(iframe) {\n",
+       "        // Ignore when there&#x27;s no iframe\n",
+       "        if (!iframe) return\n",
+       "\n",
+       "        // Only fit height when no specific height was given.\n",
+       "        if (iframe.getAttribute(&#x27;height&#x27;)) return;\n",
+       "\n",
+       "        // Initial fit + refit whenever the window width changes.\n",
+       "        _fit()\n",
+       "        $(window).on(&#x27;resize&#x27;, function() {\n",
+       "            if (window.innerWidth != window.prevInnerWidth) {\n",
+       "                window.prevInnerWidth = window.innerWidth\n",
+       "                _fit();\n",
+       "            }\n",
+       "        })\n",
+       "\n",
+       "        // Fit iframe height to content height.\n",
+       "        function _fit() {\n",
+       "            var height = iframe.contentDocument.body.scrollHeight + 18 + &#x27;px&#x27;;\n",
+       "            iframe.style.height = height;\n",
+       "        }\n",
+       "    }\n",
+       "&lt;/script&gt;\n",
+       "\n",
+       "&lt;!-- prettier-ignore --&gt;\n",
+       "&lt;script src=&quot;https://cdn.jsdelivr.net/npm/bootstrap@4.6.0/dist/js/bootstrap.bundle.min.js&quot; integrity=&quot;sha384-Piv4xVNRyMGpqkS2by6br4gNJ7DXjqk09RmUpJ8jgGtD7zP9yug3goQfGII0yAns&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "        \n",
+       "        &lt;!-- Custom header --&gt;\n",
+       "        \n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/head&gt;\n",
+       "    &lt;body class=&quot;m2g-inside-iframe&quot;&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;div id=&quot;mols2grid&quot; class=&quot;grid-default&quot;&gt;\n",
+       "            &lt;!-- Pagination &amp; search --&gt;\n",
+       "            &lt;div class=&quot;m2g-functions&quot;&gt;\n",
+       "                \n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Pagination --&gt;\n",
+       "                    &lt;ul class=&quot;m2g-pagination&quot; class=&quot;d-flex&quot;&gt;&lt;/ul&gt;\n",
+       "                    &lt;div class=&quot;m2g-gap&quot;&gt;&lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Sort dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-sort&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;mols2grid-id&quot; selected&gt;Index&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;data-SMILES&quot;&gt;SMILES&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                            \n",
+       "                            &lt;option value=&quot;checkbox&quot;&gt;Selected&lt;/option&gt;\n",
+       "                            \n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-order&quot;&gt;&lt;/div&gt;\n",
+       "                        &lt;div class=&quot;m2g-display&quot;&gt;\n",
+       "                            Index\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Search bar --&gt;\n",
+       "                    &lt;div class=&quot;m2g-search-wrap&quot;&gt;\n",
+       "                        &lt;input\n",
+       "                            type=&quot;text&quot;\n",
+       "                            class=&quot;m2g-searchbar form-control&quot;\n",
+       "                            placeholder=&quot;Search&quot;\n",
+       "                            aria-label=&quot;Search&quot;\n",
+       "                            aria-describedby=&quot;basic-addon1&quot;\n",
+       "                        /&gt;\n",
+       "                        &lt;div class=&quot;m2g-search-options&quot;&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-text sel&quot;&gt;Text&lt;/div&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-smarts&quot;&gt;SMARTS&lt;/div&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Action dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-actions&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            &lt;option hidden&gt;-&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-all&quot;&gt;Select all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-matching&quot;&gt;Select matching&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;unselect-all&quot;&gt;Unselect all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;invert&quot;&gt;Invert&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;copy&quot;&gt;Copy to clipboard&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-smiles&quot;&gt;Save SMILES&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-csv&quot;&gt;Save CSV&lt;/option&gt;\n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-icon&quot;&gt;\n",
+       "                            &lt;svg width=&quot;20&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;\n",
+       "                                &lt;path d=&quot;M11.5 4C11.5 4.82843 10.8284 5.5 10 5.5C9.17157 5.5 8.5 4.82843 8.5 4C8.5 3.17157 9.17157 2.5 10 2.5C10.8284 2.5 11.5 3.17157 11.5 4ZM11.5 10C11.5 10.8284 10.8284 11.5 10 11.5C9.17157 11.5 8.5 10.8284 8.5 10C8.5 9.17157 9.17157 8.5 10 8.5C10.8284 8.5 11.5 9.17157 11.5 10ZM10 17.5C10.8284 17.5 11.5 16.8284 11.5 16C11.5 15.1716 10.8284 14.5 10 14.5C9.17157 14.5 8.5 15.1716 8.5 16C8.5 16.8284 9.17157 17.5 10 17.5Z&quot;/&gt;\n",
+       "                            &lt;/svg&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "            &lt;/div&gt;\n",
+       "\n",
+       "            &lt;!-- Grid --&gt;\n",
+       "            \n",
+       "            &lt;div class=&quot;m2g-list&quot;&gt;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;/div&gt;\n",
+       "        &lt;/div&gt;\n",
+       "        &lt;script&gt;\n",
+       "            // list.js\n",
+       "var listObj = new List(&#x27;mols2grid&#x27;, {\n",
+       "    listClass: &#x27;m2g-list&#x27;,\n",
+       "    valueNames: [{data: [&#x27;mols2grid-id&#x27;]}, &#x27;data-SMILES&#x27;, &#x27;data-img&#x27;, &#x27;data-mols2grid-id&#x27;, &#x27;data-mols2grid-id-display&#x27;, {attr: &#x27;data-content&#x27;, name: &#x27;m2g-tooltip&#x27;}],\n",
+       "    item: &#x27;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&#x27;,\n",
+       "    page: 24,\n",
+       "    pagination: {\n",
+       "        paginationClass: &quot;m2g-pagination&quot;,\n",
+       "        item: &#x27;&lt;li class=&quot;page-item&quot;&gt;&lt;a class=&quot;page page-link&quot; href=&quot;#&quot; onclick=&quot;event.preventDefault()&quot;&gt;&lt;/a&gt;&lt;/li&gt;&#x27;,\n",
+       "        innerWindow: 1,\n",
+       "        outerWindow: 1,\n",
+       "    },\n",
+       "});\n",
+       "listObj.remove(&quot;mols2grid-id&quot;, &quot;0&quot;);\n",
+       "listObj.add([{&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)O3)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 0, &quot;data-mols2grid-id-display&quot;: 0, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)O3)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NNC(=S)N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)O)=C3)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 1, &quot;data-mols2grid-id-display&quot;: 1, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NNC(=S)N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)O)=C3)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;N#Cc1cccc(-c2nc(NC(=O)O)sc2-n2cncn2)c1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 2, &quot;data-mols2grid-id-display&quot;: 2, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N#Cc1cccc(-c2nc(NC(=O)O)sc2-n2cncn2)c1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 3, &quot;data-mols2grid-id-display&quot;: 3, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 4, &quot;data-mols2grid-id-display&quot;: 4, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CC(C)(C)OC(=O)NCCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 5, &quot;data-mols2grid-id-display&quot;: 5, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)(C)OC(=O)NCCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 6, &quot;data-mols2grid-id-display&quot;: 6, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 7, &quot;data-mols2grid-id-display&quot;: 7, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2nc(C34CCC(C(=O)NCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 8, &quot;data-mols2grid-id-display&quot;: 8, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2nc(C34CCC(C(=O)NCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 9, &quot;data-mols2grid-id-display&quot;: 9, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NCCCNC(=S)N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)O)=C3)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 10, &quot;data-mols2grid-id-display&quot;: 10, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NCCCNC(=S)N=C3C=CC(=C4c5ccc(O)cc5Oc5cc(O)ccc54)C(C(=O)O)=C3)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)C1CCC(OC2CCN(c3ccc(-c4nc5cc(F)ccc5[nH]4)cn3)CC2)CC1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 11, &quot;data-mols2grid-id-display&quot;: 11, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)C1CCC(OC2CCN(c3ccc(-c4nc5cc(F)ccc5[nH]4)cn3)CC2)CC1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NC(CCCN=C(N)N)C(=O)O)cc4)nc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 12, &quot;data-mols2grid-id-display&quot;: 12, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NC(CCCN=C(N)N)C(=O)O)cc4)nc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCN4CCN(c5ccc(C(=O)O)cc5)CC4)nc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 13, &quot;data-mols2grid-id-display&quot;: 13, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCN4CCN(c5ccc(C(=O)O)cc5)CC4)nc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCCc2ccc(OCC(=O)O)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 14, &quot;data-mols2grid-id-display&quot;: 14, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCCc2ccc(OCC(=O)O)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)C1CCC(OC2CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)CC2)CC1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 15, &quot;data-mols2grid-id-display&quot;: 15, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)C1CCC(OC2CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cn3)CC2)CC1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cc1ccc(-n2nc(C)c3cnc(-c4ccc(C5CC5C(=O)O)cc4F)cc32)nc1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 16, &quot;data-mols2grid-id-display&quot;: 16, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(-n2nc(C)c3cnc(-c4ccc(C5CC5C(=O)O)cc4F)cc32)nc1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 17, &quot;data-mols2grid-id-display&quot;: 17, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 18, &quot;data-mols2grid-id-display&quot;: 18, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 19, &quot;data-mols2grid-id-display&quot;: 19, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span 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&quot;mols2grid-id&quot;: 51, &quot;data-mols2grid-id-display&quot;: 51, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCC(CC)CNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCCc2ccc(C(=O)O)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 52, &quot;data-mols2grid-id-display&quot;: 52, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCCc2ccc(C(=O)O)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 53, &quot;data-mols2grid-id-display&quot;: 53, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 54, &quot;data-mols2grid-id-display&quot;: 54, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccco2)c2ncn(Cc3cccc(C(=O)O)c3)c2n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 55, &quot;data-mols2grid-id-display&quot;: 55, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccco2)c2ncn(Cc3cccc(C(=O)O)c3)c2n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 56, &quot;data-mols2grid-id-display&quot;: 56, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 57, &quot;data-mols2grid-id-display&quot;: 57, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2nc(C34CCC(C=CC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 58, &quot;data-mols2grid-id-display&quot;: 58, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2nc(C34CCC(C=CC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cn2c(=O)n(-c3ccccc3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 59, &quot;data-mols2grid-id-display&quot;: 59, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cn2c(=O)n(-c3ccccc3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)O)cc3)CC2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 60, &quot;data-mols2grid-id-display&quot;: 60, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)O)cc3)CC2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 61, &quot;data-mols2grid-id-display&quot;: 61, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 62, &quot;data-mols2grid-id-display&quot;: 62, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CC(C)Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 63, &quot;data-mols2grid-id-display&quot;: 63, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)Nc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NC(Cc5c[nH]cn5)C(=O)O)cc4)nc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 64, &quot;data-mols2grid-id-display&quot;: 64, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NC(Cc5c[nH]cn5)C(=O)O)cc4)nc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 65, &quot;data-mols2grid-id-display&quot;: 65, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(N2CNc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 66, &quot;data-mols2grid-id-display&quot;: 66, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(N2CNc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;COc1ccc(N2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 67, &quot;data-mols2grid-id-display&quot;: 67, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(N2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCN4CCN(c5cccc(C(=O)O)c5)CC4)nc32)C(O)C1O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 68, &quot;data-mols2grid-id-display&quot;: 68, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)C1OC(n2cnc3c(N)nc(NCCN4CCN(c5cccc(C(=O)O)c5)CC4)nc32)C(O)C1O&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 69, &quot;data-mols2grid-id-display&quot;: 69, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;Cc1csc(-c2coc3cc(OCC(=O)O)cc(C)c3c2=O)n1&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 70, &quot;data-mols2grid-id-display&quot;: 70, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1csc(-c2coc3cc(OCC(=O)O)cc(C)c3c2=O)n1&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;O=C(O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 71, &quot;data-mols2grid-id-display&quot;: 71, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 72, &quot;data-mols2grid-id-display&quot;: 72, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNc1ncc(C(=O)O)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;data-SMILES&quot;: &quot;CCCn1c(=O)c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&quot;, &quot;data-img&quot;: null, &quot;mols2grid-id&quot;: 73, &quot;data-mols2grid-id-display&quot;: 73, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c(=O)c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O&lt;/span&gt;&quot;}]);\n",
+       "\n",
+       "\n",
+       "// filter\n",
+       "if (window.parent.mols2grid_lists === undefined) {\n",
+       "    window.parent.mols2grid_lists = {};\n",
+       "}\n",
+       "window.parent.mols2grid_lists[&quot;default&quot;] = listObj;\n",
+       "\n",
+       "\n",
+       "// selection\n",
+       "class MolStorage extends Map {\n",
+       "    multi_set(_id, _smiles) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.set(_id[i], _smiles[i])\n",
+       "        }\n",
+       "    }\n",
+       "    multi_del(_id) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.delete(_id[i])\n",
+       "        }\n",
+       "    }\n",
+       "    to_dict() {\n",
+       "        var content = &#x27;{&#x27;\n",
+       "        for (let [key, value] of this) {\n",
+       "            content += key + &#x27;:&#x27; + JSON.stringify(value) + &#x27;,&#x27;\n",
+       "        }\n",
+       "        content = content.length &gt; 1 ? content.slice(0, -1) : content\n",
+       "        content += &#x27;}&#x27;\n",
+       "        return content\n",
+       "    }\n",
+       "    to_keys() {\n",
+       "        var content = []\n",
+       "        for (let [key] of this) {\n",
+       "            content.push(key)\n",
+       "        }\n",
+       "        return content\n",
+       "    }\n",
+       "    download_smi(fileName, allItems) {\n",
+       "        var content = &#x27;&#x27;\n",
+       "\n",
+       "        if (allItems) {\n",
+       "            // Gather all smiles\n",
+       "            for (var item of allItems) {\n",
+       "                var smiles = item.values()[&#x27;data-SMILES&#x27;]\n",
+       "                var id = item.values()[&#x27;mols2grid-id&#x27;]\n",
+       "                content += smiles + &#x27; &#x27; + id + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        } else {\n",
+       "            // Gather selected smiles\n",
+       "            for (let [key, value] of this) {\n",
+       "                content += value + &#x27; &#x27; + key + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        }\n",
+       "\n",
+       "        var a = document.createElement(&#x27;a&#x27;)\n",
+       "        var file = new Blob([content], { type: &#x27;text/plain&#x27; })\n",
+       "        a.href = URL.createObjectURL(file)\n",
+       "        a.download = fileName\n",
+       "        a.click()\n",
+       "        a.remove()\n",
+       "    }\n",
+       "}\n",
+       "var SELECTION = new MolStorage();\n",
+       "\n",
+       "\n",
+       "\n",
+       "// kernel\n",
+       "function add_selection(grid_id, _id, smiles) {\n",
+       "    SELECTION.multi_set(_id, smiles);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "function del_selection(grid_id, _id) {\n",
+       "    SELECTION.multi_del(_id);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "if (window.parent.IPython !== undefined) {\n",
+       "    // Jupyter notebook\n",
+       "    var kernel_env = &quot;jupyter&quot;;\n",
+       "} else if (window.parent.google !== undefined) {\n",
+       "    // Google colab\n",
+       "    var kernel_env = &quot;colab&quot;;\n",
+       "} else {\n",
+       "    var kernel_env = null;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// sort\n",
+       "var sortField = &#x27;mols2grid-id&#x27;\n",
+       "var sortOrder = &#x27;asc&#x27;\n",
+       "\n",
+       "// Sort dropdown\n",
+       "$(&#x27;#mols2grid .m2g-sort select&#x27;).change(sort)\n",
+       "\n",
+       "// Sort order\n",
+       "$(&#x27;#mols2grid .m2g-order&#x27;).click(flipSort)\n",
+       "\n",
+       "function sort(e) {\n",
+       "    if (e) {\n",
+       "        sortField = e.target.value\n",
+       "        var selectedOption = e.target.options[e.target.selectedIndex]\n",
+       "        var sortFieldDisplay = selectedOption.text\n",
+       "    }\n",
+       "\n",
+       "    // Sort\n",
+       "    if (sortField == &#x27;checkbox&#x27;) {\n",
+       "        listObj.sort(&#x27;mols2grid-id&#x27;, {order: sortOrder, sortFunction: checkboxSort})\n",
+       "    } else {\n",
+       "        listObj.sort(sortField, {order: sortOrder, sortFunction: mols2gridSortFunction})\n",
+       "    }\n",
+       "\n",
+       "    // Update UI.\n",
+       "    $(this).parent().find(&#x27;.m2g-display&#x27;).text(sortFieldDisplay)\n",
+       "}\n",
+       "\n",
+       "// prettier-ignore\n",
+       "function flipSort() {\n",
+       "    $(this).parent().removeClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sortOrder = sortOrder === &#x27;desc&#x27; ? &#x27;asc&#x27; : &#x27;desc&#x27;\n",
+       "    $(this).parent().addClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sort()\n",
+       "}\n",
+       "\n",
+       "function mols2gridSortFunction(itemA, itemB, options) {\n",
+       "    var x = itemA.values()[options.valueName]\n",
+       "    var y = itemB.values()[options.valueName]\n",
+       "    if (typeof x === &#x27;number&#x27;) {\n",
+       "        if (isFinite(x - y)) {\n",
+       "            return x - y\n",
+       "        } else {\n",
+       "            return isFinite(x) ? -1 : 1\n",
+       "        }\n",
+       "    } else {\n",
+       "        x = x ? x.toLowerCase() : x\n",
+       "        y = y ? y.toLowerCase() : y\n",
+       "        return x &lt; y ? -1 : x &gt; y ? 1 : 0\n",
+       "    }\n",
+       "}\n",
+       "function checkboxSort(itemA, itemB, options) {\n",
+       "    if (itemA.elm !== undefined) {\n",
+       "        var checkedA = itemA.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "        if (itemB.elm !== undefined) {\n",
+       "            var checkedB = itemB.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "            if (checkedA &amp;&amp; !checkedB) {\n",
+       "                return -1\n",
+       "            } else if (!checkedA &amp;&amp; checkedB) {\n",
+       "                return 1\n",
+       "            } else {\n",
+       "                return 0\n",
+       "            }\n",
+       "        } else {\n",
+       "            return -1\n",
+       "        }\n",
+       "    } else if (itemB.elm !== undefined) {\n",
+       "        return 1\n",
+       "    } else {\n",
+       "        return 0\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// tooltips\n",
+       "$.fn.tooltip.Constructor.Default.whiteList.span = [&#x27;style&#x27;]\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    $(function () {\n",
+       "        // Hide previous popovers.\n",
+       "        $(&#x27;#mols2grid a.page-link&#x27;).click(function(e) {\n",
+       "            $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        });\n",
+       "        // Create new popover.\n",
+       "        $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover({\n",
+       "            placement: &#x27;auto&#x27;,\n",
+       "            trigger: &#x27;manual&#x27;,\n",
+       "            html: true,\n",
+       "            sanitize: false,\n",
+       "        });\n",
+       "    })\n",
+       "});\n",
+       "\n",
+       "\n",
+       "// grid interactions (select, click, tooltip, key events)\n",
+       "// Check if selection UI is supported.\n",
+       "var supportSelection = eval(&#x27;True&#x27;.toLowerCase());\n",
+       "\n",
+       "listObj.on(&quot;updated&quot;, initInteraction);\n",
+       "\n",
+       "// (Re)initialiuze all grid interaction every time the grid changes.\n",
+       "function initInteraction(list) {\n",
+       "    initCellClick()\n",
+       "    initToolTip()\n",
+       "    initKeyboard()\n",
+       "    if (supportSelection) initCheckbox()\n",
+       "\n",
+       "\n",
+       "    // Hide pagination if there is only one page.\n",
+       "    if (listObj.matchingItems.length &lt;= listObj.page) {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).hide()\n",
+       "    } else {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).show()\n",
+       "    }\n",
+       "\n",
+       "    // Add a bunch of phantom cells.\n",
+       "    // These are used as filler to make sure that\n",
+       "    // no grid cells need to be resized when there&#x27;s\n",
+       "    // not enough results to fill the row.\n",
+       "    $(&#x27;#mols2grid .m2g-list&#x27;).append(&#x27;&lt;div class=&quot;m2g-cell m2g-phantom&quot;&gt;&lt;/div&gt;&#x27;.repeat(11));\n",
+       "}\n",
+       "\n",
+       "// Cell click handler.\n",
+       "function initCellClick() {\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;click&#x27;).click(function(e) {\n",
+       "        if ($(e.target).hasClass(&#x27;m2g-info&#x27;) || $(e.target).is(&#x27;:checkbox&#x27;)) {\n",
+       "            // Info button / Checkbox --&gt; do nothing.\n",
+       "        } else if ($(e.target).is(&#x27;div&#x27;) &amp;&amp; $(e.target).hasClass(&#x27;data&#x27;)) {\n",
+       "            // Data string --&gt; copy text.\n",
+       "            copyOnClick(e.target)\n",
+       "        } else if ($(e.target).hasClass(&#x27;m2g-callback&#x27;)) {\n",
+       "            // Callback button.\n",
+       "            onCallbackButtonClick(e.target)\n",
+       "        } else {\n",
+       "            // Outside checkbox --&gt; toggle the checkbox.\n",
+       "            if (supportSelection) {\n",
+       "                var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "                chkbox.checked = !chkbox.checked\n",
+       "                $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Store an element&#x27;s text content in the clipboard.\n",
+       "function copyOnClick(target) {\n",
+       "    var text = $(target).text()\n",
+       "    navigator.clipboard.writeText(text)\n",
+       "\n",
+       "    // Blink the cell to indicate that the text was copied.\n",
+       "    $(target).addClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    setTimeout(function() {\n",
+       "        $(target).removeClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    }, 450)\n",
+       "}\n",
+       "\n",
+       "// Keyboard actions.\n",
+       "function initKeyboard() {\n",
+       "    // Disable scroll when pressing UP/DOWN arrows\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keydown&#x27;).keydown(function(e) {\n",
+       "        if (e.which == 38 || e.which == 40) {\n",
+       "            e.preventDefault()\n",
+       "        }\n",
+       "    })\n",
+       "\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keyup&#x27;).keyup(function(e) {\n",
+       "        var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "        if (e.which == 13) {\n",
+       "            // ENTER: toggle\n",
+       "            chkbox.checked = !chkbox.checked\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 27 || e.which == 8) {\n",
+       "            // ESC/BACKSPACE: unselect\n",
+       "            chkbox.checked = false\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 37) {\n",
+       "            // LEFT\n",
+       "            $(this).prev().focus()\n",
+       "        } else if (e.which == 39) {\n",
+       "            // RIGHT\n",
+       "            $(this).next().focus()\n",
+       "        } else if (e.which == 38 || e.which == 40) {\n",
+       "            var containerWidth = $(this).parent().outerWidth()\n",
+       "            var cellWidth = $(this).outerWidth() + parseInt($(this).css(&#x27;marginLeft&#x27;)) * 2\n",
+       "            var columns = Math.round(containerWidth / cellWidth)\n",
+       "            var index = $(this).index()\n",
+       "            if (e.which == 38) {\n",
+       "                // UP\n",
+       "                var indexAbove = Math.max(index - columns, 0)\n",
+       "                $(this).parent().children().eq(indexAbove).focus()\n",
+       "            } else if (e.which == 40) {\n",
+       "                // DOWN    \n",
+       "                var total = $(this).parent().children().length\n",
+       "                var indexBelow = Math.min(index + columns, total)\n",
+       "                $(this).parent().children().eq(indexBelow).focus()\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Show tooltip when hovering the info icon.\n",
+       "function initToolTip() {\n",
+       "    $(&#x27;#mols2grid .m2g-info&#x27;).off(&#x27;mouseenter&#x27;).off(&#x27;mouseleave&#x27;).off(&#x27;click&#x27;).mouseenter(function() {\n",
+       "        // Show on enter\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        $(&#x27;body &gt; .popover&#x27;).click(function(e) {\n",
+       "            if ($(e.target).hasClass(&#x27;copy-me&#x27;)) {\n",
+       "                copyOnClick(e.target)\n",
+       "            } else if ($(e.target).is(&#x27;button&#x27;)) {\n",
+       "                \n",
+       "            }\n",
+       "        })\n",
+       "    }).mouseleave(function() {\n",
+       "        // Hide on leave, unless sticky.\n",
+       "        if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    }).click(function() {\n",
+       "        // Toggle sticky on click.\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).toggleClass(&#x27;m2g-keep-tooltip&#x27;)\n",
+       "\n",
+       "        // Hide tooltip when sticky was turned off.\n",
+       "        if ($(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        } else if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Update selection on checkbox click.\n",
+       "function initCheckbox() {\n",
+       "    $(&quot;input:checkbox&quot;).off(&#x27;change&#x27;).change(function() {\n",
+       "        var _id = parseInt($(this).closest(&quot;.m2g-cell&quot;).attr(&quot;data-mols2grid-id&quot;));\n",
+       "        if (this.checked) {\n",
+       "            var _smiles = $($(this).closest(&quot;.m2g-cell&quot;).children(&quot;.data-SMILES&quot;)[0]).text();\n",
+       "            add_selection(&quot;default&quot;, [_id], [_smiles]);\n",
+       "        } else {\n",
+       "            del_selection(&quot;default&quot;, [_id]);\n",
+       "        }\n",
+       "    });\n",
+       "}\n",
+       "\n",
+       "// Callback button\n",
+       "function onCallbackButtonClick(target) {\n",
+       "    var data = {}\n",
+       "    data[&quot;mols2grid-id&quot;] = parseInt($(target).closest(&quot;.m2g-cell&quot;)\n",
+       "                                            .attr(&quot;data-mols2grid-id&quot;));\n",
+       "    data[&quot;img&quot;] = $(target).parent().siblings(&quot;.data-img&quot;).eq(0).get(0).innerHTML;\n",
+       "    $(target).parent().siblings(&quot;.data&quot;).not(&quot;.data-img&quot;).each(function() {\n",
+       "        let name = this.className.split(&quot; &quot;)\n",
+       "            .filter(cls =&gt; cls.startsWith(&quot;data-&quot;))[0]\n",
+       "            .substring(5);\n",
+       "        data[name] = this.innerHTML;\n",
+       "    });\n",
+       "\n",
+       "    \n",
+       "    // Call custom js callback.\n",
+       "    None\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Actions\n",
+       " */\n",
+       "\n",
+       "// Listen to action dropdown.\n",
+       "$(&#x27;#mols2grid .m2g-actions select&#x27;).change(function(e) {\n",
+       "    var val = e.target.value\n",
+       "    switch(val) {\n",
+       "        case &#x27;select-all&#x27;:\n",
+       "            selectAll()\n",
+       "            break\n",
+       "        case &#x27;select-matching&#x27;:\n",
+       "            selectMatching()\n",
+       "            break\n",
+       "        case &#x27;unselect-all&#x27;:\n",
+       "            unselectAll()\n",
+       "            break\n",
+       "        case &#x27;invert&#x27;:\n",
+       "            invertSelection()\n",
+       "            break\n",
+       "        case &#x27;copy&#x27;:\n",
+       "            copy()\n",
+       "            break\n",
+       "        case &#x27;save-smiles&#x27;:\n",
+       "            saveSmiles()\n",
+       "            break\n",
+       "        case &#x27;save-csv&#x27;:\n",
+       "            saveCSV()\n",
+       "            break\n",
+       "    }\n",
+       "    $(this).val(&#x27;&#x27;) // Reset dropdown\n",
+       "})\n",
+       "\n",
+       "// Check all.\n",
+       "function selectAll(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "\n",
+       "// Check matching.\n",
+       "function selectMatching(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.matchingItems.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Uncheck all.\n",
+       "function unselectAll(e) {\n",
+       "    var _id = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id);\n",
+       "};\n",
+       "\n",
+       "// Invert selection.\n",
+       "function invertSelection(e) {\n",
+       "    var _id_add = [];\n",
+       "    var _id_del = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        if (chkbox.checked) {\n",
+       "            _id_add.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "            _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "        } else {\n",
+       "            _id_del.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        }\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id_del);\n",
+       "    add_selection(&quot;default&quot;, _id_add, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Copy to clipboard.\n",
+       "function copy(e) {\n",
+       "    // navigator.clipboard.writeText(SELECTION.to_dict());\n",
+       "    content = _renderCSV(&#x27;\\t&#x27;)\n",
+       "    navigator.clipboard.writeText(content)\n",
+       "};\n",
+       "\n",
+       "// Export smiles.\n",
+       "function saveSmiles(e) {\n",
+       "    var fileName = &quot;selection.smi&quot;\n",
+       "    if (SELECTION.size) {\n",
+       "        // Download selected smiles\n",
+       "        SELECTION.download_smi(fileName);\n",
+       "    } else {\n",
+       "        // Download all smiles\n",
+       "        SELECTION.download_smi(fileName, listObj.items);\n",
+       "    }\n",
+       "};\n",
+       "\n",
+       "// Export CSV.\n",
+       "function saveCSV(e) {\n",
+       "    content = _renderCSV(&#x27;;&#x27;)\n",
+       "    var a = document.createElement(&quot;a&quot;);\n",
+       "    var file = new Blob([content], {type: &quot;text/csv&quot;});\n",
+       "    a.href = URL.createObjectURL(file);\n",
+       "    a.download = &quot;selection.csv&quot;;\n",
+       "    a.click();\n",
+       "    a.remove();\n",
+       "};\n",
+       "\n",
+       "// Render CSV for export of clipboard.\n",
+       "function _renderCSV(sep) {\n",
+       "    // Same order as subset + tooltip\n",
+       "    var columns = Array.from(listObj.items[0].elm.querySelectorAll(&quot;div.data&quot;))\n",
+       "        .map(elm =&gt; elm.classList[1])\n",
+       "        .filter(name =&gt; name !== &quot;data-img&quot;);\n",
+       "    // Remove &#x27;data-&#x27; and img\n",
+       "    var header = columns.map(name =&gt; name.slice(5));\n",
+       "    // CSV content\n",
+       "    header = [&quot;index&quot;].concat(header).join(sep);\n",
+       "    var content = header + &quot;\\n&quot;;\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        let data = item.values();\n",
+       "        let index = data[&quot;mols2grid-id&quot;];\n",
+       "        if (SELECTION.has(index) || SELECTION.size === 0) {\n",
+       "            content += index;\n",
+       "            columns.forEach((key) =&gt; {\n",
+       "                content += sep + data[key];\n",
+       "            })\n",
+       "            content += &quot;\\n&quot;;\n",
+       "        }\n",
+       "    });\n",
+       "    return content\n",
+       "}\n",
+       "\n",
+       "\n",
+       "// generate images for the currently displayed molecules\n",
+       "var draw_opts = {&quot;n_cols&quot;: 5, &quot;width&quot;: 130, &quot;height&quot;: 90};\n",
+       "var json_draw_opts = JSON.stringify(draw_opts);\n",
+       "\n",
+       "var smarts_matches = {};\n",
+       "\n",
+       "// Load RDKit\n",
+       "window\n",
+       ".initRDKitModule()\n",
+       ".then(function(RDKit) {\n",
+       "    console.log(&#x27;RDKit version: &#x27;, RDKit.version());\n",
+       "    window.RDKit = RDKit;\n",
+       "    window.RDKitModule = RDKit;\n",
+       "\n",
+       "    // Searchbar\n",
+       "    function SmartsSearch(query, columns) {\n",
+       "    var smiles_col = columns[0];\n",
+       "    smarts_matches = {};\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var qmol = RDKit.get_qmol(query);\n",
+       "    if (qmol.is_valid()) {\n",
+       "        listObj.items.forEach(function (item) {\n",
+       "            var smiles = item.values()[smiles_col]\n",
+       "            var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "            if (mol.is_valid()) {\n",
+       "                var results = mol.get_substruct_matches(qmol);\n",
+       "                if (results === &quot;\\{\\}&quot;) {\n",
+       "                    item.found = false;\n",
+       "                } else {\n",
+       "                    item.found = true;\n",
+       "                    \n",
+       "                    results = JSON.parse(results);\n",
+       "                    \n",
+       "                    var highlights = {&quot;atoms&quot;: [], &quot;bonds&quot;: []};\n",
+       "                    results.forEach(function (match) {\n",
+       "                        highlights[&quot;atoms&quot;].push(...match.atoms)\n",
+       "                        highlights[&quot;bonds&quot;].push(...match.bonds)\n",
+       "                    });\n",
+       "                    \n",
+       "                    var index = item.values()[&quot;mols2grid-id&quot;];\n",
+       "                    smarts_matches[index] = highlights;\n",
+       "                    \n",
+       "                }\n",
+       "            } else {\n",
+       "                item.found = false;\n",
+       "            }\n",
+       "            mol.delete();\n",
+       "        });\n",
+       "    }\n",
+       "    qmol.delete();\n",
+       "}\n",
+       "var search_type = &quot;Text&quot;;\n",
+       "// Temporary fix for regex characters being escaped by list.js\n",
+       "// This extends String.replace to ignore the regex pattern used by list.js and returns\n",
+       "// the string unmodified. Other calls should not be affected, unless they use the exact\n",
+       "// same pattern and replacement value.\n",
+       "// TODO: remove once the issue is fixed in list.js and released\n",
+       "String.prototype.replace = (function(_super) {\n",
+       "    return function() {\n",
+       "        if (\n",
+       "            (arguments[0].toString() === &#x27;/[-[\\\\]{}()*+?.,\\\\\\\\^$|#]/g&#x27;)\n",
+       "            &amp;&amp; (arguments[1] === &#x27;\\\\$&amp;&#x27;)\n",
+       "        ) {\n",
+       "            if (this.length === 0) {\n",
+       "                return &#x27;&#x27;\n",
+       "            }\n",
+       "            return this\n",
+       "        }\n",
+       "        return _super.apply(this, arguments);\n",
+       "    };         \n",
+       "})(String.prototype.replace);\n",
+       "\n",
+       "// Switch search type (Text or SMARTS)\n",
+       "$(&#x27;#mols2grid .m2g-search-options .m2g-option&#x27;).click(function() {\n",
+       "    search_type = $(this).text();\n",
+       "    $(&#x27;#mols2grid .m2g-search-options .m2g-option.sel&#x27;).removeClass(&quot;sel&quot;);\n",
+       "    $(this).addClass(&quot;sel&quot;);\n",
+       "});\n",
+       "\n",
+       "// Searchbar update event handler\n",
+       "$(&#x27;#mols2grid .m2g-searchbar&#x27;).on(&quot;keyup&quot;, function(e) {\n",
+       "    var query = e.target.value;\n",
+       "    if (search_type === &quot;Text&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        listObj.search(query, [&#x27;data-mols2grid-id&#x27;, &#x27;data-SMILES&#x27;]);\n",
+       "    } else {\n",
+       "        listObj.search(query, [&quot;data-SMILES&quot;], SmartsSearch);\n",
+       "    }\n",
+       "});\n",
+       "\n",
+       "    \n",
+       "    // Generate images for the currently displayed molecules.\n",
+       "RDKit.prefer_coordgen(true);\n",
+       "function draw_mol(smiles, index, template_mol) {\n",
+       "    var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "    var svg = &quot;&quot;;\n",
+       "    if (mol.is_valid()) {\n",
+       "        var highlights = smarts_matches[index];\n",
+       "        if (highlights) {\n",
+       "            var details = Object.assign({}, draw_opts, highlights);\n",
+       "            details = JSON.stringify(details);\n",
+       "            mol.generate_aligned_coords(template_mol, true);\n",
+       "        } else {\n",
+       "            var details = json_draw_opts;\n",
+       "        }\n",
+       "        svg = mol.get_svg_with_highlights(details);\n",
+       "    }\n",
+       "    mol.delete();\n",
+       "    if (svg == &quot;&quot;) {\n",
+       "        return &#x27;&lt;svg width=&quot;130&quot; height=&quot;90&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot; version=&quot;1.1&quot; viewBox=&quot;0 0 130 90&quot;&gt;&lt;/svg&gt;&#x27;;\n",
+       "    }\n",
+       "    return svg;\n",
+       "}\n",
+       "\n",
+       "// Update images when the list is updated.\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var template_mol;\n",
+       "    if (query === &quot;&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        template_mol = null;\n",
+       "    } else {\n",
+       "        template_mol = RDKit.get_qmol(query);\n",
+       "        template_mol.set_new_coords(true);\n",
+       "    }\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).each(function() {\n",
+       "        var $t = $(this);\n",
+       "        var smiles = $t.children(&quot;.data-SMILES&quot;).first().text();\n",
+       "        var index = parseInt(this.getAttribute(&quot;data-mols2grid-id&quot;));\n",
+       "        var svg = draw_mol(smiles, index, template_mol);\n",
+       "        $t.children(&quot;.data-img&quot;).html(svg);\n",
+       "    });\n",
+       "    if (template_mol) {\n",
+       "        template_mol.delete();\n",
+       "    }\n",
+       "});\n",
+       "    \n",
+       "\n",
+       "    // Trigger update to activate tooltips, draw images, setup callbacks...\n",
+       "    listObj.update();\n",
+       "    \n",
+       "    // Set iframe height to fit content.\n",
+       "    fitIframe(window.frameElement);\n",
+       "});\n",
+       "        &lt;/script&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/body&gt;\n",
+       "&lt;/html&gt;\n",
+       "\">\n",
+       "</iframe>"
+      ],
+      "text/plain": [
+       "<IPython.core.display.HTML object>"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# aromatic carboxylic acids\n",
+    "smiles_to_grid(dataset.searchWithIndex(test_indices[1]).smiles, impl=interactive_grid)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/data/parallelization.ipynb b/tutorials/advanced/data/parallelization.ipynb
new file mode 100644
index 00000000..29aa965e
--- /dev/null
+++ b/tutorials/advanced/data/parallelization.ipynb
@@ -0,0 +1,908 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "9fedcee856268b35",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "# Code Parallelization\n",
+    "\n",
+    "QSPRpred is also helpful to run parallel operations on data. It tries to take the headache out of parallelization by\n",
+    "providing a simple interface to run operations on data in parallel. In this tutorial, we will show how to use the\n",
+    "these features.\n",
+    "\n",
+    "## Data Set\n",
+    "\n",
+    "We will borrow the multitask data set from the [associated tutorial](../modelling/multi_task_modelling.ipynb) since it contains a larger number of molecules:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "initial_id",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:47.128460764Z",
+     "start_time": "2024-01-16T16:30:44.687611093Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/tmp/ipykernel_57590/2289215288.py:1: DeprecationWarning: \n",
+      "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n",
+      "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n",
+      "but was not found to be installed on your system.\n",
+      "If this would cause problems for you,\n",
+      "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n",
+      "        \n",
+      "  import pandas as pd\n",
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "6797"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "from qsprpred.data import MoleculeTable\n",
+    "\n",
+    "# load the data\n",
+    "df = pd.read_csv('../../tutorial_data/AR_LIGANDS.tsv', sep='\\t')\n",
+    "df = df.pivot(index=\"SMILES\", columns=\"accession\", values=\"pchembl_value_Mean\")\n",
+    "df.columns.name = None\n",
+    "df.reset_index(inplace=True)\n",
+    "mt = MoleculeTable(name=\"ParallelizationExample\", df=df)\n",
+    "len(mt)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8f9ffda3a4b8202f",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "## Setting `nJobs` and `chunkSize`\n",
+    "\n",
+    "QSPRpred supports parallelization of code by chunking the data set into smaller\n",
+    "pieces and running the code on each chunk in parallel. This is done by setting\n",
+    "the `nJobs` and `chunkSize` properties of the `MoleculeTable` object. The\n",
+    "`nJobs` property specifies the number of parallel jobs to run. The `chunkSize`\n",
+    "property specifies the number of molecules to process in each job. \n",
+    "\n",
+    "The `chunkSize` property is automatically calculated based on the number of jobs, but\n",
+    "in some cases it may be useful to set it manually. For example, if the code\n",
+    "being run in parallel is very fast, it may be useful to increase the chunk size\n",
+    "to reduce the overhead of parallelization. On the other hand, if the code being\n",
+    "run in parallel is very slow, it may be useful to decrease the chunk size to\n",
+    "reduce the amount of time spent waiting for the slowest job to finish. \n",
+    "\n",
+    "In addition, the\n",
+    "`chunkSize` property also affects the memory usage of the parallelization. If\n",
+    "the code being run in parallel is very memory intensive, it may be useful to\n",
+    "decrease the chunk size to reduce the memory usage of the parallel processes \n",
+    "by running on smaller batches of data.\n",
+    "\n",
+    "We will now illustrate a few different scenarios. First, we will run a simple\n",
+    "descriptor calculation in parallel:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "5fb8189f4bd2cf62",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:51.361058064Z",
+     "start_time": "2024-01-16T16:30:47.131517756Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Running and timing descriptor calculation: MorganFP\n",
+      "Time it took: 4.8388890370115405\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.sets import DescriptorSet\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.utils.stopwatch import StopWatch\n",
+    "\n",
+    "\n",
+    "def time_desc_calc(data: MoleculeTable, desc_set: DescriptorSet):\n",
+    "    \"\"\"A simple function to time descriptor calculation on a data table.\n",
+    "    \n",
+    "    Args:\n",
+    "        data: The data table to calculate descriptors on.\n",
+    "        desc_set: The descriptor set to calculate.\n",
+    "    \"\"\"\n",
+    "    if data.hasDescriptors([desc_set])[0]:\n",
+    "        print(f\"Removing old descriptors: {desc_set}\")\n",
+    "        data.dropDescriptors([desc_set])\n",
+    "    print(f\"Running and timing descriptor calculation: {desc_set}\")\n",
+    "    watch = StopWatch()\n",
+    "    data.addDescriptors([desc_set])\n",
+    "    watch.stop()\n",
+    "\n",
+    "\n",
+    "time_desc_calc(mt, MorganFP(3, 2048))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9357f12c0516b989",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "This calculation is done on one CPU by default:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "e44f3b39aa13bde1",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:51.368391209Z",
+     "start_time": "2024-01-16T16:30:51.363595085Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "1"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.nJobs"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "e7e51a9829413df0",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "and the whole data set supplied as one chunk:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "79a597d9ec3e477d",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:51.372183338Z",
+     "start_time": "2024-01-16T16:30:51.367032511Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "6797"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.chunkSize"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "d28c75dc19273bed",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "We can now try running this calculation in parallel on 2 CPUs:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "b6a15d314e606079",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:51.379969255Z",
+     "start_time": "2024-01-16T16:30:51.375227876Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "mt.nJobs = 4"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "6bc6ee9045cc5f12",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "The chunk size will automatically be adjusted to 25% of the data set size so that each portion of the data set is processed on a separate CPU:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "8de8694100c644d5",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:51.411732902Z",
+     "start_time": "2024-01-16T16:30:51.378238063Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "1699"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.chunkSize"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "2e21998b62ee78bf",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "We can see how this affects the time taken to run the calculation:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "a99a9131bc8db3e4",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:30:53.084658845Z",
+     "start_time": "2024-01-16T16:30:51.383586975Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Removing old descriptors: MorganFP\n",
+      "Running and timing descriptor calculation: MorganFP\n",
+      "Time it took: 1.6204400029964745\n"
+     ]
+    }
+   ],
+   "source": [
+    "time_desc_calc(mt, MorganFP(3, 2048))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "bc5243c149010a23",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "This was faster, but not by a factor of 4. This is because there is some overhead associated with parallelization and the calculation of fingerprints is very fast by itself so the overhead affects our runtime more. In such cases, be careful about setting the chunk size manually:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "4d5b1bdf9bdb5db6",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.073558913Z",
+     "start_time": "2024-01-16T16:30:53.083216365Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Removing old descriptors: MorganFP\n",
+      "Running and timing descriptor calculation: MorganFP\n",
+      "Time it took: 7.653213223995408\n"
+     ]
+    }
+   ],
+   "source": [
+    "mt.chunkSize = 10\n",
+    "time_desc_calc(mt, MorganFP(3, 2048))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "c9fdc32aa83072e6",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "This was slower than even the single CPU calculation!"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7c2367dd655da9c8",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "## Custom Operations\n",
+    "\n",
+    "Descriptor calculators are already prepared actions that you can use with the `addDescriptors` method. However, you can also run custom operations on the data set in parallel. To do this, you need to use the `apply` method. This method takes a function as input and runs it on each chunk of the data set in parallel. The function must take a dictionary of properties as input and return anything as output:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "id": "5d222001afae4d0b",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.082418114Z",
+     "start_time": "2024-01-16T16:31:10.077838705Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<generator object PandasDataTable.apply at 0x7f4ad2fa7530>"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "def processing_function(props: dict, *args, **kwargs):\n",
+    "    \"\"\"A simple function to process a chunk of a data table. Just prints and its arguments.\"\"\"\n",
+    "    print(args)\n",
+    "    print(kwargs)\n",
+    "    for prop in props:\n",
+    "        print(prop, props[prop][0])\n",
+    "\n",
+    "\n",
+    "mt.nJobs = 2  # also resets the chunk size to 50% of the data set size again\n",
+    "mt.apply(processing_function, func_args=(\"A\",), func_kwargs={\"B\": None})"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3ada92396624b990",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "As you can see, this gives us a generator object. In order to run the function on each chunk and get the results, we need to iterate over the generator and collect results:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "id": "99f2cf1850ecf7cc",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.175831497Z",
+     "start_time": "2024-01-16T16:31:10.081098696Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "('A',)\n",
+      "('A',){'B': None}\n",
+      "\n",
+      "{'B': None}SMILES\n",
+      " SMILESBrc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1 \n",
+      "COc1cc(-n2c(=O)n(-c3c(OC)cccc3)c3c2nc(NC2CC2)nc3)ccc1P0DMS8\n",
+      " P0DMS85.89 \n",
+      "nanP29274\n",
+      " P292746.61\n",
+      " P292755.29 \n",
+      "nanP29275\n",
+      "P30542  nannan\n",
+      "\n",
+      "P30542QSPRID  5.9ParallelizationExample_0000\n",
+      "\n",
+      "QSPRID \n",
+      "ParallelizationExample_3398('A',)\n",
+      "{'B': None}\n",
+      "SMILES c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCCC2)[nH]1\n",
+      "P0DMS8 5.56\n",
+      "P29274 nan\n",
+      "P29275 nan\n",
+      "P30542 nan\n",
+      "QSPRID ParallelizationExample_6796\n"
+     ]
+    }
+   ],
+   "source": [
+    "results = []\n",
+    "for result in mt.apply(processing_function, func_args=(\"A\",), func_kwargs={\"B\": None}):\n",
+    "    results.append(result)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "a5f2d451e08ec155",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "The results in this case are just four `None` values since our function doesn't return anything:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "id": "5ba475bbd0735f20",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.223479222Z",
+     "start_time": "2024-01-16T16:31:10.180906772Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[None, None, None]"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "84a590acb0626ee9",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "We can also instruct the `apply` method to pass a `DataFrame` instead of a dictionary of properties to the function. This is useful if you want to use the `pandas.DataFrame` API to process the data:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "id": "a63acad6cfaa31eb",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.254595551Z",
+     "start_time": "2024-01-16T16:31:10.227714969Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[(3398, 6), (3398, 6), (1, 6)]"
+      ]
+     },
+     "execution_count": 12,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "def processing_function_df(props: pd.DataFrame):\n",
+    "    \"\"\"A simple function that gives us the shape of the chunk.\"\"\"\n",
+    "    return props.shape\n",
+    "\n",
+    "\n",
+    "results = []\n",
+    "for result in mt.apply(processing_function_df, as_df=True):\n",
+    "    results.append(result)\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "a14646b3cc04daee",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "**WARNING:** The `apply` method does not guarantee that the results will be returned in the same order as the chunks were processed. This is because the chunks are processed in parallel and the order depends on the order in which the parallel processes finish."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39fcfa580de331",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "### Molecule Processors\n",
+    "\n",
+    "One step above the simple `apply` method is the `processMols` method. This method takes a `MolProcessor` object as input. This object must implement a `__call__` method that takes a list of molecules and a dictionary of properties as input and returns anything as output:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "id": "9f4256b379457379",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.307074944Z",
+     "start_time": "2024-01-16T16:31:10.228216373Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[('Brc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1',\n",
+       "  str,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID'),\n",
+       " ('COc1cc(-n2c(=O)n(-c3c(OC)cccc3)c3c2nc(NC2CC2)nc3)ccc1',\n",
+       "  str,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID'),\n",
+       " ('c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCCC2)[nH]1',\n",
+       "  str,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID')]"
+      ]
+     },
+     "execution_count": 13,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.processing.mol_processor import MolProcessor\n",
+    "from rdkit.Chem import Mol\n",
+    "from typing import Any\n",
+    "\n",
+    "\n",
+    "class MyProcessor(MolProcessor):\n",
+    "    def __call__(self, mols: list[str | Mol], props: dict[str, list[Any]], *args,\n",
+    "                 **kwargs) -> Any:\n",
+    "        \"\"\"Just return a tuple of some data extracted for the first molecule in the chunk.\"\"\"\n",
+    "        return mols[0], type(mols[0]), *props.keys()\n",
+    "\n",
+    "    @property\n",
+    "    def supportsParallel(self) -> bool:\n",
+    "        \"\"\"Needs to be set to indicate if parallelization is supported.\"\"\"\n",
+    "        return True\n",
+    "\n",
+    "\n",
+    "results = []\n",
+    "for result in mt.processMols(MyProcessor()):\n",
+    "    results.append(result)\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "d4a679c7ec23c64a",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "With `processMols`, we can also automatically convert the molecules to RDKit molecules before passing them to the processor:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "id": "4cf4e78a2249d7c9",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:10.955175012Z",
+     "start_time": "2024-01-16T16:31:10.278782050Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[(<rdkit.Chem.rdchem.Mol at 0x7f4ad2d15c10>,\n",
+       "  rdkit.Chem.rdchem.Mol,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID'),\n",
+       " (<rdkit.Chem.rdchem.Mol at 0x7f4ad2d15d00>,\n",
+       "  rdkit.Chem.rdchem.Mol,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID'),\n",
+       " (<rdkit.Chem.rdchem.Mol at 0x7f4ad2d14040>,\n",
+       "  rdkit.Chem.rdchem.Mol,\n",
+       "  'SMILES',\n",
+       "  'P0DMS8',\n",
+       "  'P29274',\n",
+       "  'P29275',\n",
+       "  'P30542',\n",
+       "  'QSPRID')]"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "results = []\n",
+    "for result in mt.processMols(MyProcessor(), as_rdkit=True):\n",
+    "    results.append(result)\n",
+    "results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "4927b7b9fe7bfa4c",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "You can also derive from `MolProcessorWithID` if you want to access the molecule IDs provided by the data set in your processor. This is useful to overcome the issue that the order in which chunks are processed is not guaranteed:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "id": "68f0adadb4d33539",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-16T16:31:12.843689806Z",
+     "start_time": "2024-01-16T16:31:10.956455648Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "QSPRID\n",
+       "ParallelizationExample_0000    YQTYPSIBGJUFHX-UHFFFAOYSA-N\n",
+       "ParallelizationExample_0001    PLOWTFYCKMBDSF-UHFFFAOYSA-N\n",
+       "ParallelizationExample_0002    VPFDYFVHIDPXMF-UHFFFAOYSA-N\n",
+       "ParallelizationExample_0003    JRZQBZNLNNVCDD-UHFFFAOYSA-N\n",
+       "ParallelizationExample_0004    ZQOOZBCGGHKMAZ-UHFFFAOYSA-N\n",
+       "                                          ...             \n",
+       "ParallelizationExample_6792    ATQMYSVYZWCLGV-UHFFFAOYSA-N\n",
+       "ParallelizationExample_6793    BCUWHWNNRNCIEH-UHFFFAOYSA-N\n",
+       "ParallelizationExample_6794    ZFLJHSQHILSNCM-UHFFFAOYSA-N\n",
+       "ParallelizationExample_6795    IWDCLHPAOHUVIN-UHFFFAOYSA-N\n",
+       "ParallelizationExample_6796    SXZJJBXZKSACII-UHFFFAOYSA-N\n",
+       "Name: InchiKey, Length: 6797, dtype: object"
+      ]
+     },
+     "execution_count": 15,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from rdkit.Chem import MolToInchiKey\n",
+    "from qsprpred.data.processing.mol_processor import MolProcessorWithID\n",
+    "\n",
+    "\n",
+    "class MyProcessorWithID(MolProcessorWithID):\n",
+    "    def __call__(self, mols: list[str | Mol], props: dict[str, list[Any]], *args,\n",
+    "                 **kwargs) -> Any:\n",
+    "        \"\"\"Calculate Inchi Keys for the molecules in the chunk and return them as a DataFrame using `idProp` as index.\"\"\"\n",
+    "        return pd.DataFrame({\"InchiKey\": [MolToInchiKey(x) for x in mols]},\n",
+    "                            index=props[self.idProp])\n",
+    "\n",
+    "    @property\n",
+    "    def supportsParallel(self) -> bool:\n",
+    "        return True\n",
+    "\n",
+    "\n",
+    "# run the calculations\n",
+    "results = []\n",
+    "for result in mt.processMols(MyProcessorWithID(), as_rdkit=True):\n",
+    "    results.append(result)\n",
+    "\n",
+    "# concatenate the results into a single DataFrame\n",
+    "df_iks = pd.concat(results)\n",
+    "\n",
+    "# sort the DataFrame by the index to ensure same order as in the original molecule table\n",
+    "df_iks.sort_index(inplace=True)\n",
+    "\n",
+    "# set the Inchi Keys as a property of the molecule table\n",
+    "mt.addProperty(\"InchiKey\", df_iks.InchiKey.tolist())\n",
+    "mt.getProperty(\"InchiKey\")"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/advanced/modelling/PCM_modelling.ipynb b/tutorials/advanced/modelling/PCM_modelling.ipynb
new file mode 100644
index 00000000..beeba712
--- /dev/null
+++ b/tutorials/advanced/modelling/PCM_modelling.ipynb
@@ -0,0 +1,1869 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# PCM Modeling\n",
+    "\n",
+    "In this section of the tutorial, we will use the knowledge from all previous tutorials to construct a simple PCM classification model for four  adenosine receptors (A1, A2A, A2B, A3).\n",
+    "\n",
+    "## Data Preparation\n",
+    "\n",
+    "First, we need to load the data. For this tutorial we will load the dataset containing data for all four adenosine receptors."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>accession</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>PCMTutorialDataset_00000</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00001</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>6.68</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>PCMTutorialDataset_00001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00002</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>PCMTutorialDataset_00002</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00003</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>7.15</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>PCMTutorialDataset_00003</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00004</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>PCMTutorialDataset_00004</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12452</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>PCMTutorialDataset_12452</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12453</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.61</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>PCMTutorialDataset_12453</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12454</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>PCMTutorialDataset_12454</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12455</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>5.15</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>PCMTutorialDataset_12455</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12456</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.34</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>PCMTutorialDataset_12456</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>12457 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                     SMILES  \\\n",
+       "QSPRID                                                                        \n",
+       "PCMTutorialDataset_00000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "PCMTutorialDataset_00001  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "PCMTutorialDataset_00002  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "PCMTutorialDataset_00003   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "PCMTutorialDataset_00004   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "...                                                                     ...   \n",
+       "PCMTutorialDataset_12452      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "PCMTutorialDataset_12453           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "PCMTutorialDataset_12454           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "PCMTutorialDataset_12455           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "PCMTutorialDataset_12456           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                          pchembl_value_Mean accession  \\\n",
+       "QSPRID                                                   \n",
+       "PCMTutorialDataset_00000                8.68    P29274   \n",
+       "PCMTutorialDataset_00001                6.68    P30542   \n",
+       "PCMTutorialDataset_00002                4.82    P29274   \n",
+       "PCMTutorialDataset_00003                7.15    P0DMS8   \n",
+       "PCMTutorialDataset_00004                5.65    P29274   \n",
+       "...                                      ...       ...   \n",
+       "PCMTutorialDataset_12452                6.51    P29274   \n",
+       "PCMTutorialDataset_12453                7.61    P0DMS8   \n",
+       "PCMTutorialDataset_12454                7.35    P29274   \n",
+       "PCMTutorialDataset_12455                5.15    P29275   \n",
+       "PCMTutorialDataset_12456                7.34    P30542   \n",
+       "\n",
+       "                                            QSPRID  \n",
+       "QSPRID                                              \n",
+       "PCMTutorialDataset_00000  PCMTutorialDataset_00000  \n",
+       "PCMTutorialDataset_00001  PCMTutorialDataset_00001  \n",
+       "PCMTutorialDataset_00002  PCMTutorialDataset_00002  \n",
+       "PCMTutorialDataset_00003  PCMTutorialDataset_00003  \n",
+       "PCMTutorialDataset_00004  PCMTutorialDataset_00004  \n",
+       "...                                            ...  \n",
+       "PCMTutorialDataset_12452  PCMTutorialDataset_12452  \n",
+       "PCMTutorialDataset_12453  PCMTutorialDataset_12453  \n",
+       "PCMTutorialDataset_12454  PCMTutorialDataset_12454  \n",
+       "PCMTutorialDataset_12455  PCMTutorialDataset_12455  \n",
+       "PCMTutorialDataset_12456  PCMTutorialDataset_12456  \n",
+       "\n",
+       "[12457 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from qsprpred.data import MoleculeTable\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = MoleculeTable.fromTableFile(\n",
+    "    name=\"PCMTutorialDataset\",\n",
+    "    filename=\"../../tutorial_data/AR_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Fetching Protein Data\n",
+    "\n",
+    "In addition, it is also possible to easily fetch the sequences for our proteins from [Papyrus](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00672-x) data set. You can find more information on how to fetch data from Papyrus within QSPRpred in the [data collection](../../basics/data/data_collection_with_papyrus.ipynb) tutorial. For now, we are using Papyrus ++ in version 05.6."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>target_id</th>\n",
+       "      <th>HGNC_symbol</th>\n",
+       "      <th>UniProtID</th>\n",
+       "      <th>Status</th>\n",
+       "      <th>Organism</th>\n",
+       "      <th>Classification</th>\n",
+       "      <th>Length</th>\n",
+       "      <th>Sequence</th>\n",
+       "      <th>TID</th>\n",
+       "      <th>accession</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>P29275_WT</td>\n",
+       "      <td>ADORA2B</td>\n",
+       "      <td>AA2BR_HUMAN</td>\n",
+       "      <td>reviewed</td>\n",
+       "      <td>Homo sapiens (Human)</td>\n",
+       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
+       "      <td>332</td>\n",
+       "      <td>MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFL...</td>\n",
+       "      <td>ChEMBL:CHEMBL255;ChEMBL:CHEMBL255;ChEMBL:CHEMB...</td>\n",
+       "      <td>P29275</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>P30542_WT</td>\n",
+       "      <td>ADORA1</td>\n",
+       "      <td>AA1R_HUMAN</td>\n",
+       "      <td>reviewed</td>\n",
+       "      <td>Homo sapiens (Human)</td>\n",
+       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
+       "      <td>326</td>\n",
+       "      <td>MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFC...</td>\n",
+       "      <td>ChEMBL:CHEMBL226;ChEMBL:CHEMBL226;ChEMBL:CHEMB...</td>\n",
+       "      <td>P30542</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>P29274_WT</td>\n",
+       "      <td>ADORA2A</td>\n",
+       "      <td>AA2AR_HUMAN</td>\n",
+       "      <td>reviewed</td>\n",
+       "      <td>Homo sapiens (Human)</td>\n",
+       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
+       "      <td>412</td>\n",
+       "      <td>MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVV...</td>\n",
+       "      <td>ChEMBL:CHEMBL251;ChEMBL:CHEMBL251;ChEMBL:CHEMB...</td>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>P0DMS8_WT</td>\n",
+       "      <td>ADORA3</td>\n",
+       "      <td>AA3R_HUMAN</td>\n",
+       "      <td>reviewed</td>\n",
+       "      <td>Homo sapiens (Human)</td>\n",
+       "      <td>Membrane receptor-&gt;Family A G protein-coupled ...</td>\n",
+       "      <td>318</td>\n",
+       "      <td>MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTT...</td>\n",
+       "      <td>ChEMBL:CHEMBL256;ChEMBL:CHEMBL256;ChEMBL:CHEMB...</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "   target_id HGNC_symbol    UniProtID    Status              Organism  \\\n",
+       "0  P29275_WT     ADORA2B  AA2BR_HUMAN  reviewed  Homo sapiens (Human)   \n",
+       "1  P30542_WT      ADORA1   AA1R_HUMAN  reviewed  Homo sapiens (Human)   \n",
+       "2  P29274_WT     ADORA2A  AA2AR_HUMAN  reviewed  Homo sapiens (Human)   \n",
+       "3  P0DMS8_WT      ADORA3   AA3R_HUMAN  reviewed  Homo sapiens (Human)   \n",
+       "\n",
+       "                                      Classification  Length  \\\n",
+       "0  Membrane receptor->Family A G protein-coupled ...     332   \n",
+       "1  Membrane receptor->Family A G protein-coupled ...     326   \n",
+       "2  Membrane receptor->Family A G protein-coupled ...     412   \n",
+       "3  Membrane receptor->Family A G protein-coupled ...     318   \n",
+       "\n",
+       "                                            Sequence  \\\n",
+       "0  MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFL...   \n",
+       "1  MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFC...   \n",
+       "2  MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVV...   \n",
+       "3  MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTT...   \n",
+       "\n",
+       "                                                 TID accession  \n",
+       "0  ChEMBL:CHEMBL255;ChEMBL:CHEMBL255;ChEMBL:CHEMB...    P29275  \n",
+       "1  ChEMBL:CHEMBL226;ChEMBL:CHEMBL226;ChEMBL:CHEMB...    P30542  \n",
+       "2  ChEMBL:CHEMBL251;ChEMBL:CHEMBL251;ChEMBL:CHEMB...    P29274  \n",
+       "3  ChEMBL:CHEMBL256;ChEMBL:CHEMBL256;ChEMBL:CHEMB...    P0DMS8  "
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.sources.papyrus import Papyrus\n",
+    "\n",
+    "# Papyrus database version 05.6\n",
+    "papyrus = Papyrus(\n",
+    "    data_dir=\"../../tutorial_data/\",\n",
+    "    version=\"05.6\",  # Papyrus database version\n",
+    "    stereo=False,\n",
+    "    plus_only=True,\n",
+    ")\n",
+    "\n",
+    "# Get the protein sequences for the four adenosine receptors\n",
+    "acc_keys = [\"P29274\", \"P29275\", \"P30542\", \"P0DMS8\"]  # A2AR, A2BR, A1R, A3R\n",
+    "dataset_seq = papyrus.getProteinData(\n",
+    "    acc_keys,\n",
+    "    name=f\"{dataset.name}_seqs\",\n",
+    "    use_existing=True,\n",
+    "    output_dir=\"../../tutorial_output/data\",\n",
+    ")\n",
+    "dataset_seq"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The  keys used to fetch the data are saved in the `accession` colum in the resulting data frame:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>accession</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00000</th>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00001</th>\n",
+       "      <td>P30542</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00002</th>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00003</th>\n",
+       "      <td>P0DMS8</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00004</th>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12452</th>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12453</th>\n",
+       "      <td>P0DMS8</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12454</th>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12455</th>\n",
+       "      <td>P29275</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12456</th>\n",
+       "      <td>P30542</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>12457 rows × 1 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                         accession\n",
+       "QSPRID                            \n",
+       "PCMTutorialDataset_00000    P29274\n",
+       "PCMTutorialDataset_00001    P30542\n",
+       "PCMTutorialDataset_00002    P29274\n",
+       "PCMTutorialDataset_00003    P0DMS8\n",
+       "PCMTutorialDataset_00004    P29274\n",
+       "...                            ...\n",
+       "PCMTutorialDataset_12452    P29274\n",
+       "PCMTutorialDataset_12453    P0DMS8\n",
+       "PCMTutorialDataset_12454    P29274\n",
+       "PCMTutorialDataset_12455    P29275\n",
+       "PCMTutorialDataset_12456    P30542\n",
+       "\n",
+       "[12457 rows x 1 columns]"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getSubset(\"accession\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Calculating Protein Descriptors\n",
+    "\n",
+    "In this section, we will show how to connect the information about sequences with our data set and calculate protein descriptors using multiple sequence alignment and the `PCMDataSet` class from the `qsprpred.extra` package. First, let us convert the original data set saved in the `dataset` variable to a `PCMDataSet`:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.extra.data.tables.pcm import PCMDataSet\n",
+    "\n",
+    "\n",
+    "def sequence_provider(acc_keys):\n",
+    "    \"\"\"\n",
+    "    A function that provides a mapping from accession key to a protein sequence.\n",
+    "\n",
+    "    Args:\n",
+    "        acc_keys (list): Accession keys of the protein to get a sequences for.\n",
+    "\n",
+    "    Returns:\n",
+    "        (dict) : Mapping of accession keys to protein sequences.\n",
+    "        (dict) : Additional information to pass to the MSA provider (can be empty).\n",
+    "    \"\"\"\n",
+    "    map = dict()\n",
+    "    info = dict()\n",
+    "    for i, row in dataset_seq.iterrows():\n",
+    "        map[row[\"accession\"]] = row[\"Sequence\"]\n",
+    "\n",
+    "        # can be omitted\n",
+    "        info[row[\"accession\"]] = {\n",
+    "            \"Organism\": row[\"Organism\"],\n",
+    "            \"UniProtID\": row[\"UniProtID\"],\n",
+    "        }\n",
+    "\n",
+    "    return map, info\n",
+    "\n",
+    "\n",
+    "dataset = PCMDataSet.fromMolTable(\n",
+    "    dataset,\n",
+    "    name=dataset.name,\n",
+    "    protein_col=\"accession\",\n",
+    "    protein_seq_provider=sequence_provider,\n",
+    "    store_dir=dataset.storeDir,\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    ")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "`PCMDataset` knows how to connect accession keys to sequences thanks to `proteinCol` and `proteinSeqProvider`. The `proteinSeqProvider` is a function that maps given accession keys to sequences, because this can be done in many different ways there is no default implementation. The `acc_keys` argument is there to make a more general implementation possible.\n",
+    "\n",
+    "The `ClustalMSA` object facilitates multiple sequence alignment with the Clustal Omega program (needs to be [installed separately](http://www.clustal.org/omega/)). This is done automatically after `proteinSeqProvider` is invoked before descriptor calculation:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "312d7c703f174b8589baafbf6f96efe3",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "  0%|          | 0/4 [00:00<?, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.extra.data.utils.msa_calculator import ClustalMSA\n",
+    "from qsprpred.extra.data.descriptors.sets import ProDec\n",
+    "\n",
+    "dataset.addDescriptors([\n",
+    "    ProDec(\n",
+    "        sets=[\"Zscale Hellberg\"],\n",
+    "        msa_provider=ClustalMSA(out_dir=dataset.storeDir)\n",
+    "    )\n",
+    "])"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can check the descriptor matrix:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Zscale_1</th>\n",
+       "      <th>Zscale_10</th>\n",
+       "      <th>Zscale_100</th>\n",
+       "      <th>Zscale_1000</th>\n",
+       "      <th>Zscale_1001</th>\n",
+       "      <th>Zscale_1002</th>\n",
+       "      <th>Zscale_1003</th>\n",
+       "      <th>Zscale_1004</th>\n",
+       "      <th>Zscale_1005</th>\n",
+       "      <th>Zscale_1006</th>\n",
+       "      <th>...</th>\n",
+       "      <th>Zscale_990</th>\n",
+       "      <th>Zscale_991</th>\n",
+       "      <th>Zscale_992</th>\n",
+       "      <th>Zscale_993</th>\n",
+       "      <th>Zscale_994</th>\n",
+       "      <th>Zscale_995</th>\n",
+       "      <th>Zscale_996</th>\n",
+       "      <th>Zscale_997</th>\n",
+       "      <th>Zscale_998</th>\n",
+       "      <th>Zscale_999</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00000</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00001</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.22</td>\n",
+       "      <td>0.88</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>...</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.64</td>\n",
+       "      <td>1.13</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>-4.19</td>\n",
+       "      <td>-1.03</td>\n",
+       "      <td>-0.98</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00002</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00003</th>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>2.84</td>\n",
+       "      <td>1.41</td>\n",
+       "      <td>-3.14</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>...</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.68</td>\n",
+       "      <td>-1.03</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00004</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12452</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12453</th>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>2.84</td>\n",
+       "      <td>1.41</td>\n",
+       "      <td>-3.14</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>...</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.68</td>\n",
+       "      <td>-1.03</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12454</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>0.92</td>\n",
+       "      <td>-2.09</td>\n",
+       "      <td>-1.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12455</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>1.45</td>\n",
+       "      <td>0.84</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>-5.36</td>\n",
+       "      <td>0.30</td>\n",
+       "      <td>2.18</td>\n",
+       "      <td>0.53</td>\n",
+       "      <td>-1.14</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12456</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.22</td>\n",
+       "      <td>0.88</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>...</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.64</td>\n",
+       "      <td>1.13</td>\n",
+       "      <td>2.36</td>\n",
+       "      <td>-4.19</td>\n",
+       "      <td>-1.03</td>\n",
+       "      <td>-0.98</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>12457 rows × 1278 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                          Zscale_1  Zscale_10  Zscale_100  Zscale_1000  \\\n",
+       "QSPRID                                                                   \n",
+       "PCMTutorialDataset_00000      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_00001      0.00      -2.49       -4.44        -1.22   \n",
+       "PCMTutorialDataset_00002      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_00003     -2.49       3.22       -4.44         3.08   \n",
+       "PCMTutorialDataset_00004      0.00       0.00        0.71         1.96   \n",
+       "...                            ...        ...         ...          ...   \n",
+       "PCMTutorialDataset_12452      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_12453     -2.49       3.22       -4.44         3.08   \n",
+       "PCMTutorialDataset_12454      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_12455      0.00       0.00        0.71         0.00   \n",
+       "PCMTutorialDataset_12456      0.00      -2.49       -4.44        -1.22   \n",
+       "\n",
+       "                          Zscale_1001  Zscale_1002  Zscale_1003  Zscale_1004  \\\n",
+       "QSPRID                                                                         \n",
+       "PCMTutorialDataset_00000        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_00001         0.88         2.23         3.08         0.39   \n",
+       "PCMTutorialDataset_00002        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_00003         0.39        -0.07         2.84         1.41   \n",
+       "PCMTutorialDataset_00004        -1.63         0.57         0.07        -1.73   \n",
+       "...                               ...          ...          ...          ...   \n",
+       "PCMTutorialDataset_12452        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_12453         0.39        -0.07         2.84         1.41   \n",
+       "PCMTutorialDataset_12454        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_12455         0.00         0.00         0.00         0.00   \n",
+       "PCMTutorialDataset_12456         0.88         2.23         3.08         0.39   \n",
+       "\n",
+       "                          Zscale_1005  Zscale_1006  ...  Zscale_990  \\\n",
+       "QSPRID                                              ...               \n",
+       "PCMTutorialDataset_00000         0.09         2.88  ...        0.09   \n",
+       "PCMTutorialDataset_00001        -0.07         3.08  ...        2.36   \n",
+       "PCMTutorialDataset_00002         0.09         2.88  ...        0.09   \n",
+       "PCMTutorialDataset_00003        -3.14         3.22  ...        2.36   \n",
+       "PCMTutorialDataset_00004         0.09         2.88  ...        0.09   \n",
+       "...                               ...          ...  ...         ...   \n",
+       "PCMTutorialDataset_12452         0.09         2.88  ...        0.09   \n",
+       "PCMTutorialDataset_12453        -3.14         3.22  ...        2.36   \n",
+       "PCMTutorialDataset_12454         0.09         2.88  ...        0.09   \n",
+       "PCMTutorialDataset_12455         0.00         0.00  ...        0.30   \n",
+       "PCMTutorialDataset_12456        -0.07         3.08  ...        2.36   \n",
+       "\n",
+       "                          Zscale_991  Zscale_992  Zscale_993  Zscale_994  \\\n",
+       "QSPRID                                                                     \n",
+       "PCMTutorialDataset_00000        0.07       -1.73        0.09        2.23   \n",
+       "PCMTutorialDataset_00001        3.08        0.39       -0.07        3.64   \n",
+       "PCMTutorialDataset_00002        0.07       -1.73        0.09        2.23   \n",
+       "PCMTutorialDataset_00003        0.92       -2.09       -1.40        1.96   \n",
+       "PCMTutorialDataset_00004        0.07       -1.73        0.09        2.23   \n",
+       "...                              ...         ...         ...         ...   \n",
+       "PCMTutorialDataset_12452        0.07       -1.73        0.09        2.23   \n",
+       "PCMTutorialDataset_12453        0.92       -2.09       -1.40        1.96   \n",
+       "PCMTutorialDataset_12454        0.07       -1.73        0.09        2.23   \n",
+       "PCMTutorialDataset_12455        3.22        1.45        0.84        2.23   \n",
+       "PCMTutorialDataset_12456        3.08        0.39       -0.07        3.64   \n",
+       "\n",
+       "                          Zscale_995  Zscale_996  Zscale_997  Zscale_998  \\\n",
+       "QSPRID                                                                     \n",
+       "PCMTutorialDataset_00000       -5.36        0.30        0.92       -2.09   \n",
+       "PCMTutorialDataset_00001        1.13        2.36       -4.19       -1.03   \n",
+       "PCMTutorialDataset_00002       -5.36        0.30        0.92       -2.09   \n",
+       "PCMTutorialDataset_00003       -1.63        0.57       -4.44       -1.68   \n",
+       "PCMTutorialDataset_00004       -5.36        0.30        0.92       -2.09   \n",
+       "...                              ...         ...         ...         ...   \n",
+       "PCMTutorialDataset_12452       -5.36        0.30        0.92       -2.09   \n",
+       "PCMTutorialDataset_12453       -1.63        0.57       -4.44       -1.68   \n",
+       "PCMTutorialDataset_12454       -5.36        0.30        0.92       -2.09   \n",
+       "PCMTutorialDataset_12455       -5.36        0.30        2.18        0.53   \n",
+       "PCMTutorialDataset_12456        1.13        2.36       -4.19       -1.03   \n",
+       "\n",
+       "                          Zscale_999  \n",
+       "QSPRID                                \n",
+       "PCMTutorialDataset_00000       -1.40  \n",
+       "PCMTutorialDataset_00001       -0.98  \n",
+       "PCMTutorialDataset_00002       -1.40  \n",
+       "PCMTutorialDataset_00003       -1.03  \n",
+       "PCMTutorialDataset_00004       -1.40  \n",
+       "...                              ...  \n",
+       "PCMTutorialDataset_12452       -1.40  \n",
+       "PCMTutorialDataset_12453       -1.03  \n",
+       "PCMTutorialDataset_12454       -1.40  \n",
+       "PCMTutorialDataset_12455       -1.14  \n",
+       "PCMTutorialDataset_12456       -0.98  \n",
+       "\n",
+       "[12457 rows x 1278 columns]"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can of course combine this with molecular descriptors as well:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
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+       "      <th></th>\n",
+       "      <th>Zscale_1</th>\n",
+       "      <th>Zscale_10</th>\n",
+       "      <th>Zscale_100</th>\n",
+       "      <th>Zscale_1000</th>\n",
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+       "      <th>Zscale_1004</th>\n",
+       "      <th>Zscale_1005</th>\n",
+       "      <th>Zscale_1006</th>\n",
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+       "      <th>MorganFP_1014</th>\n",
+       "      <th>MorganFP_1015</th>\n",
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+       "      <th></th>\n",
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+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00000</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00001</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.22</td>\n",
+       "      <td>0.88</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00002</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00003</th>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>2.84</td>\n",
+       "      <td>1.41</td>\n",
+       "      <td>-3.14</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_00004</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12452</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12453</th>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>2.84</td>\n",
+       "      <td>1.41</td>\n",
+       "      <td>-3.14</td>\n",
+       "      <td>3.22</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12454</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>1.96</td>\n",
+       "      <td>-1.63</td>\n",
+       "      <td>0.57</td>\n",
+       "      <td>0.07</td>\n",
+       "      <td>-1.73</td>\n",
+       "      <td>0.09</td>\n",
+       "      <td>2.88</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12455</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.71</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>0.00</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PCMTutorialDataset_12456</th>\n",
+       "      <td>0.00</td>\n",
+       "      <td>-2.49</td>\n",
+       "      <td>-4.44</td>\n",
+       "      <td>-1.22</td>\n",
+       "      <td>0.88</td>\n",
+       "      <td>2.23</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>0.39</td>\n",
+       "      <td>-0.07</td>\n",
+       "      <td>3.08</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>12457 rows × 2302 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                          Zscale_1  Zscale_10  Zscale_100  Zscale_1000  \\\n",
+       "QSPRID                                                                   \n",
+       "PCMTutorialDataset_00000      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_00001      0.00      -2.49       -4.44        -1.22   \n",
+       "PCMTutorialDataset_00002      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_00003     -2.49       3.22       -4.44         3.08   \n",
+       "PCMTutorialDataset_00004      0.00       0.00        0.71         1.96   \n",
+       "...                            ...        ...         ...          ...   \n",
+       "PCMTutorialDataset_12452      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_12453     -2.49       3.22       -4.44         3.08   \n",
+       "PCMTutorialDataset_12454      0.00       0.00        0.71         1.96   \n",
+       "PCMTutorialDataset_12455      0.00       0.00        0.71         0.00   \n",
+       "PCMTutorialDataset_12456      0.00      -2.49       -4.44        -1.22   \n",
+       "\n",
+       "                          Zscale_1001  Zscale_1002  Zscale_1003  Zscale_1004  \\\n",
+       "QSPRID                                                                         \n",
+       "PCMTutorialDataset_00000        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_00001         0.88         2.23         3.08         0.39   \n",
+       "PCMTutorialDataset_00002        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_00003         0.39        -0.07         2.84         1.41   \n",
+       "PCMTutorialDataset_00004        -1.63         0.57         0.07        -1.73   \n",
+       "...                               ...          ...          ...          ...   \n",
+       "PCMTutorialDataset_12452        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_12453         0.39        -0.07         2.84         1.41   \n",
+       "PCMTutorialDataset_12454        -1.63         0.57         0.07        -1.73   \n",
+       "PCMTutorialDataset_12455         0.00         0.00         0.00         0.00   \n",
+       "PCMTutorialDataset_12456         0.88         2.23         3.08         0.39   \n",
+       "\n",
+       "                          Zscale_1005  Zscale_1006  ...  MorganFP_1014  \\\n",
+       "QSPRID                                              ...                  \n",
+       "PCMTutorialDataset_00000         0.09         2.88  ...          False   \n",
+       "PCMTutorialDataset_00001        -0.07         3.08  ...          False   \n",
+       "PCMTutorialDataset_00002         0.09         2.88  ...          False   \n",
+       "PCMTutorialDataset_00003        -3.14         3.22  ...          False   \n",
+       "PCMTutorialDataset_00004         0.09         2.88  ...          False   \n",
+       "...                               ...          ...  ...            ...   \n",
+       "PCMTutorialDataset_12452         0.09         2.88  ...          False   \n",
+       "PCMTutorialDataset_12453        -3.14         3.22  ...          False   \n",
+       "PCMTutorialDataset_12454         0.09         2.88  ...          False   \n",
+       "PCMTutorialDataset_12455         0.00         0.00  ...          False   \n",
+       "PCMTutorialDataset_12456        -0.07         3.08  ...          False   \n",
+       "\n",
+       "                          MorganFP_1015  MorganFP_1016  MorganFP_1017  \\\n",
+       "QSPRID                                                                  \n",
+       "PCMTutorialDataset_00000          False          False          False   \n",
+       "PCMTutorialDataset_00001          False          False          False   \n",
+       "PCMTutorialDataset_00002          False          False          False   \n",
+       "PCMTutorialDataset_00003          False          False          False   \n",
+       "PCMTutorialDataset_00004          False          False          False   \n",
+       "...                                 ...            ...            ...   \n",
+       "PCMTutorialDataset_12452          False          False          False   \n",
+       "PCMTutorialDataset_12453          False          False          False   \n",
+       "PCMTutorialDataset_12454          False          False          False   \n",
+       "PCMTutorialDataset_12455          False          False          False   \n",
+       "PCMTutorialDataset_12456          False          False          False   \n",
+       "\n",
+       "                          MorganFP_1018  MorganFP_1019  MorganFP_1020  \\\n",
+       "QSPRID                                                                  \n",
+       "PCMTutorialDataset_00000          False          False          False   \n",
+       "PCMTutorialDataset_00001          False          False          False   \n",
+       "PCMTutorialDataset_00002          False          False           True   \n",
+       "PCMTutorialDataset_00003          False          False          False   \n",
+       "PCMTutorialDataset_00004          False          False          False   \n",
+       "...                                 ...            ...            ...   \n",
+       "PCMTutorialDataset_12452          False          False          False   \n",
+       "PCMTutorialDataset_12453          False          False          False   \n",
+       "PCMTutorialDataset_12454          False          False          False   \n",
+       "PCMTutorialDataset_12455          False          False          False   \n",
+       "PCMTutorialDataset_12456          False          False          False   \n",
+       "\n",
+       "                          MorganFP_1021  MorganFP_1022  MorganFP_1023  \n",
+       "QSPRID                                                                 \n",
+       "PCMTutorialDataset_00000          False          False          False  \n",
+       "PCMTutorialDataset_00001          False          False          False  \n",
+       "PCMTutorialDataset_00002          False          False          False  \n",
+       "PCMTutorialDataset_00003          False          False          False  \n",
+       "PCMTutorialDataset_00004          False          False          False  \n",
+       "...                                 ...            ...            ...  \n",
+       "PCMTutorialDataset_12452          False          False          False  \n",
+       "PCMTutorialDataset_12453          False          False          False  \n",
+       "PCMTutorialDataset_12454          False          False          False  \n",
+       "PCMTutorialDataset_12455          False          False          False  \n",
+       "PCMTutorialDataset_12456          False          False          False  \n",
+       "\n",
+       "[12457 rows x 2302 columns]"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "dataset.nJobs = 12  # allowing parallelization to speed things up a little\n",
+    "dataset.addDescriptors([MorganFP(radius=2, nBits=1024)])\n",
+    "dataset.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "To split the dataset we use the `PCMsplit`, which is a wrapper around the `DataSplit` class. It splits a dataset into train and test set such that the subsets are balanced with respect to each of the protein targets. This is done with https://github.com/sohviluukkonen/gbmt-splits, linear programming of initial clusters (random-, scaffold- or cluster-based) to get a balanced split.\n",
+    "It therefore expects either a `RandomSplit`, `ScaffoldSplit` or `ClusterSplit` object as input."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.extra.data.sampling.splits import PCMSplit\n",
+    "from qsprpred.data import RandomSplit\n",
+    "\n",
+    "dataset.split(PCMSplit(splitter=RandomSplit(test_fraction=0.2),\n",
+    "                       dataset=dataset))  # 20% test set per target"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Model Construction\n",
+    "\n",
+    "Now that we have defined our preprocessing steps, we can construct our model. We will use a simple K-nearest neighbors model in this case, but notice that the training code is almost the same as in the simple [quick start](../../quick_start.ipynb). The only difference is that we are using the `SklearnPCMModel` class instead of `SklearnModel`:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "from qsprpred.extra.models.pcm import SklearnPCMModel\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs('../../tutorial_output/data', exist_ok=True)\n",
+    "\n",
+    "model = SklearnPCMModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name='PCMTutorialModel',\n",
+    ")\n",
+    "\n",
+    "CrossValAssessor(scoring='r2')(model, dataset)\n",
+    "TestSetAssessor(scoring='r2')(model, dataset)\n",
+    "_ = model.fitDataset(dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.extra.models.pcm import SklearnPCMModel\n",
+    "\n",
+    "model = SklearnPCMModel.fromFile(\n",
+    "    \"../../tutorial_output/models/PCMTutorialModel/PCMTutorialModel_meta.json\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The `SklearnPCMModel` class is a subclass of `SklearnModel` and thus inherits all of its functionality. The only difference is in how it handles predictions, which we will [show later](#model-prediction). Model evaluation and plotting is also the same as in the [quick start](../../quick_start.ipynb) tutorial:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "PCMTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 569.5x400 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "(<seaborn.axisgrid.FacetGrid at 0x7f0923d00730>,\n",
+       "               Model              Fold            Property        R2      RMSE  \\\n",
+       " 0  PCMTutorialModel               0.0  pchembl_value_Mean  0.593952  0.709219   \n",
+       " 1  PCMTutorialModel               1.0  pchembl_value_Mean  0.623370  0.711725   \n",
+       " 2  PCMTutorialModel               2.0  pchembl_value_Mean  0.606751  0.702374   \n",
+       " 3  PCMTutorialModel               3.0  pchembl_value_Mean  0.601332  0.712577   \n",
+       " 4  PCMTutorialModel               4.0  pchembl_value_Mean  0.634756  0.687840   \n",
+       " 5  PCMTutorialModel  Independent Test  pchembl_value_Mean  0.657932  0.640084   \n",
+       " \n",
+       "                 Set  \n",
+       " 0  Cross Validation  \n",
+       " 1  Cross Validation  \n",
+       " 2  Cross Validation  \n",
+       " 3  Cross Validation  \n",
+       " 4  Cross Validation  \n",
+       " 5  Independent Test  )"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.regression import CorrelationPlot\n",
+    "\n",
+    "plot = CorrelationPlot([model])\n",
+    "plot.make(save=False, show=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Model Prediction\n",
+    "\n",
+    "Prediction with the PCM model works similarly to regular models. We can load the saved model using its name (`PCMTutorialModel`) as usual:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<qsprpred.extra.models.pcm.SklearnPCMModel at 0x7f09069d7010>"
+      ]
+     },
+     "execution_count": 12,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model_from_files = SklearnPCMModel(name='PCMTutorialModel',\n",
+    "                                   base_dir='../../tutorial_output/models')\n",
+    "model_from_files"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "But naturally when doing the prediction, we need to provide the protein ID to fetch protein descriptors for as well. When we created the model all necessary information to use the generated MSA and calculate protein descriptors was saved:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "sample_mols = [\n",
+    "    'CN1C=NC2=C1C(=O)N(C(=O)N2C)C',  # caffeine\n",
+    "    'c1ccccc1CCN1N=CC2=C1N=C(N)N3C2=NC(C4=CC=CO4)=N3'\n",
+    "    # SCH-58261 (50x more selective to A2A than caffeine -> more potent)\n",
+    "]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array(['P29274', 'P30542', 'P0DMS8', 'P29275'], dtype=object)"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getSubset(dataset.proteinCol)[dataset.proteinCol].unique()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "2e3a379cf1624c719dcb0018731e01a2",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "  0%|          | 0/4 [00:00<?, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([[6.35933333],\n",
+       "       [8.69461538]])"
+      ]
+     },
+     "execution_count": 15,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model_from_files.predictMols(\n",
+    "    sample_mols,\n",
+    "    protein_id='P29274',  # human adenosine A2A receptor\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now that makes sense. We can see that for the selective compound (`SCH-58261`), the model predicts it as very active. If we use the same compounds with the other isoforms, we can see that although the model predicts it as active for all isoforms, it is not as active for the A2A isoform:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "98a22894da704babb716a7c14207069b",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "  0%|          | 0/4 [00:00<?, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([[5.328],\n",
+       "       [6.969]])"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model_from_files.predictMols(\n",
+    "    sample_mols,\n",
+    "    protein_id='P30542',  # human adenosine A1 receptor\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "e29b0b1a599442589c7fa9094fe40e42",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "  0%|          | 0/4 [00:00<?, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([[6.03  ],\n",
+       "       [6.1895]])"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model_from_files.predictMols(\n",
+    "    sample_mols,\n",
+    "    protein_id='P0DMS8',  # human adenosine A3 receptor\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "d51019238c6442e2a59f7ef4a0292196",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "  0%|          | 0/4 [00:00<?, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([[5.266],\n",
+       "       [7.209]])"
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model_from_files.predictMols(\n",
+    "    sample_mols,\n",
+    "    protein_id='P29275',  # human adenosine A2B receptor\n",
+    ")"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/chemprop_models.ipynb b/tutorials/advanced/modelling/chemprop_models.ipynb
new file mode 100644
index 00000000..ed1316be
--- /dev/null
+++ b/tutorials/advanced/modelling/chemprop_models.ipynb
@@ -0,0 +1,829 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# get rid of some chemprop warnings\n",
+    "import warnings\n",
+    "\n",
+    "warnings.simplefilter(action='ignore', category=FutureWarning)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Training Chemprop models using QSPRpred\n",
+    "\n",
+    "This notebook demonstrates how to train Chemprop models using QSPRpred.\n",
+    "Chemprop is a library for training and evaluating message passing neural networks for molecular property prediction [1, 2, 3].\n",
+    "Using QSPRpred, we have wrapped Chemprop to allow for training Chemprop models using QSPRpred.\n",
+    "Not all functionality of Chemprop is available through QSPRpred, but we hope to expand this in the future.\n",
+    "\n",
+    "1. Yang K, et al. Analyzing Learned Molecular Representations for Property Prediction. J Chem Inf Model. 2019;59(8):3370-3388. doi:10.1021/acs.jcim.9b00237\n",
+    "2. Heid E, et al. Chemprop: Machine Learning Package for Chemical Property Prediction. ChemRxiv. 2023; doi:10.26434 chemrxiv-2023-3zcfl (preprint)\n",
+    "3. https://github.com/chemprop/chemprop"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Let's start by preparing the data, which is identical to the data preparation in other tutorials.\n",
+    "With the exception that we need to specify that we want to use SMILES strings as features.\n",
+    "It is possible to use other features in addition to SMILES strings, but the SMILES strings must be included in the features as input for the message passing neural network.\n",
+    "\n",
+    "Chemprop also provides the option to specify custom atom and bond features, but this is not (yet) supported in QSPRpred."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>ChempropTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ChempropTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ChempropTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ChempropTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ChempropTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ChempropTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ChempropTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ChempropTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ChempropTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ChempropTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                         SMILES  \\\n",
+       "QSPRID                                                                            \n",
+       "ChempropTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "ChempropTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
+       "ChempropTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "ChempropTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "ChempropTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "\n",
+       "                              pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                     \n",
+       "ChempropTutorialDataset_0000                8.68  2008.0   \n",
+       "ChempropTutorialDataset_0001                4.82  2010.0   \n",
+       "ChempropTutorialDataset_0002                5.65  2009.0   \n",
+       "ChempropTutorialDataset_0003                5.45  2009.0   \n",
+       "ChempropTutorialDataset_0004                5.20  2019.0   \n",
+       "\n",
+       "                                                    QSPRID  \\\n",
+       "QSPRID                                                       \n",
+       "ChempropTutorialDataset_0000  ChempropTutorialDataset_0000   \n",
+       "ChempropTutorialDataset_0001  ChempropTutorialDataset_0001   \n",
+       "ChempropTutorialDataset_0002  ChempropTutorialDataset_0002   \n",
+       "ChempropTutorialDataset_0003  ChempropTutorialDataset_0003   \n",
+       "ChempropTutorialDataset_0004  ChempropTutorialDataset_0004   \n",
+       "\n",
+       "                              pchembl_value_Mean_original  \n",
+       "QSPRID                                                     \n",
+       "ChempropTutorialDataset_0000                         8.68  \n",
+       "ChempropTutorialDataset_0001                         4.82  \n",
+       "ChempropTutorialDataset_0002                         5.65  \n",
+       "ChempropTutorialDataset_0003                         5.45  \n",
+       "ChempropTutorialDataset_0004                         5.20  "
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset, RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data.descriptors.sets import SmilesDesc\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "# Create dataset\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"ChempropTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "feature_calculators = [SmilesDesc(), MorganFP(radius=3, nBits=2048)]\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=feature_calculators,\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After preparing the data, we can train a model.\n",
+    "Initizalizing a `ChempropModel` is identical to initializing other `QSPRModel` models.\n",
+    "We can specify set `quiet_logger` to False to get the debug output from Chemprop.\n",
+    "\n",
+    "As not all Chemprop functionality is available through QSPRpred, some parameters are not used in QSPRpred.\n",
+    "Therefore, a convienience function `getAvailableParameters` is provided to get a dictionary of the arguments that are used in QSPRpred.\n",
+    "Definitions and default values may be found on the Chemprop github (https://github.com/chemprop/chemprop/blob/master/chemprop/args.py)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{'no_cuda': 'Turn off cuda (i.e., use CPU instead of GPU).',\n",
+       " 'gpu': 'Which GPU to use.',\n",
+       " 'num_workers': 'Number of workers for the parallel data loading (0 means sequential).',\n",
+       " 'batch_size': 'Batch size.',\n",
+       " 'no_cache_mol': 'Whether to not cache the RDKit molecule for each SMILES string to reduce memory usage (cached by default).',\n",
+       " 'empty_cache': 'Whether to empty all caches before training or predicting. This is necessary if multiple jobs are run within a single script and the atom or bond features change.',\n",
+       " 'loss_function': 'Choice of loss function. Loss functions are limited to compatible dataset types.',\n",
+       " 'metric': \"Metric to use with the validation set for early stopping. Defaults to 'auc' for classification, 'rmse' for regression. Note. In Chemprop this metric is also used for test-set evaluation, but in QSPRpred this is determined by the scoring parameter in assessment.\",\n",
+       " 'bias': 'Whether to add bias to linear layers.',\n",
+       " 'hidden_size': 'Dimensionality of hidden layers in MPN.',\n",
+       " 'depth': 'Number of message passing steps.',\n",
+       " 'mpn_shared': \"Whether to use the same message passing neural network for all input molecule Only relevant if 'number_of_molecules > 1'\",\n",
+       " 'dropout': 'Dropout probability.',\n",
+       " 'activation': 'Activation function.',\n",
+       " 'atom_messages': 'Centers messages on atoms instead of on bonds.',\n",
+       " 'undirected': 'Undirected edges (always sum the two relevant bond vectors).',\n",
+       " 'ffn_hidden_size': 'Hidden dim for higher-capacity FFN (defaults to hidden_size).',\n",
+       " 'ffn_num_layers': 'Number of layers in FFN after MPN encoding.',\n",
+       " 'epochs': 'Number of epochs to run.',\n",
+       " 'warmup_epochs': \"Number of epochs during which learning rate increases linearly from 'init_lr' to 'max_lr'. Afterwards, learning rate decreases exponentially from 'max_lr' to 'final_lr'.\",\n",
+       " 'init_lr': 'Initial learning rate.',\n",
+       " 'max_lr': 'Maximum learning rate.',\n",
+       " 'final_lr': 'Final learning rate.',\n",
+       " 'grad_clip': 'Maximum magnitude of gradient during training.',\n",
+       " 'class_balance': 'Trains with an equal number of positives and negatives in each batch.',\n",
+       " 'evidential_regularization': 'Value used in regularization for evidential loss function. The default value recommended by Soleimany et al.(2021) is 0.2. Optimal value is dataset-dependent; it is recommended that users test different values to find the best value for their model.'}"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.extra.gpu.models.chemprop import ChempropModel\n",
+    "\n",
+    "ChempropModel.getAvailableParameters()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We will use default parameters, except for the number of epochs, which we will set to 5 for demonstration purposes."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Create model\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "model = ChempropModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    name='ChempropTutorialModel',\n",
+    "    parameters={\"epochs\": 5},\n",
+    "    quiet_logger=False\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Training a `ChempropModel` works the same as training another `QSPRModel` that supports early stopping.\n",
+    "Have a look at the [deep learning tutorial](../../basics/data/data_splitting.ipynb) for more information on early stopping."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'qsprpred.extra.gpu.models.chemprop.ChempropMoleculeModel'> does not support it. Ignoring this setting.\n",
+      "train size = 2,350 | val size = 262\n",
+      "Total size = 2,612\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 9.8159e-01, PNorm = 33.9640, GNorm = 1.1326, lr_0 = 2.0532e-04\n",
+      "Loss = 9.9579e-01, PNorm = 33.9681, GNorm = 0.7663, lr_0 = 3.0106e-04\n",
+      "Loss = 9.2394e-01, PNorm = 33.9736, GNorm = 3.8675, lr_0 = 3.9681e-04\n",
+      "Loss = 1.0338e+00, PNorm = 33.9792, GNorm = 3.0841, lr_0 = 4.9255e-04\n",
+      "Validation rmse = 1.197342\n",
+      "Model best validation rmse = 1.197342 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:17<01:09, 17.35s/it]Epoch 1\n",
+      "Loss = 9.1158e-01, PNorm = 33.9879, GNorm = 2.1077, lr_0 = 5.8830e-04\n",
+      "Loss = 8.7446e-01, PNorm = 34.0052, GNorm = 1.5421, lr_0 = 6.8404e-04\n",
+      "Loss = 9.2941e-01, PNorm = 34.0316, GNorm = 2.3650, lr_0 = 7.7979e-04\n",
+      "Loss = 1.0071e+00, PNorm = 34.0677, GNorm = 1.2049, lr_0 = 8.7553e-04\n",
+      "Loss = 8.1503e-01, PNorm = 34.1191, GNorm = 0.5373, lr_0 = 9.7128e-04\n",
+      "Validation rmse = 1.152012\n",
+      "Model best validation rmse = 1.152012 on epoch                     1\n",
+      " 40%|████      | 2/5 [00:21<00:27,  9.33s/it]Epoch 2\n",
+      "Loss = 9.2997e-01, PNorm = 34.1583, GNorm = 1.0126, lr_0 = 8.9198e-04\n",
+      "Loss = 7.7931e-01, PNorm = 34.2090, GNorm = 1.6003, lr_0 = 7.5759e-04\n",
+      "Loss = 8.7472e-01, PNorm = 34.2593, GNorm = 0.7230, lr_0 = 6.4344e-04\n",
+      "Loss = 9.0038e-01, PNorm = 34.2979, GNorm = 4.3859, lr_0 = 5.4650e-04\n",
+      "Loss = 7.8004e-01, PNorm = 34.3264, GNorm = 2.6959, lr_0 = 4.6416e-04\n",
+      "Validation rmse = 1.061348\n",
+      "Model best validation rmse = 1.061348 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:25<00:14,  7.02s/it]Epoch 3\n",
+      "Loss = 7.6340e-01, PNorm = 34.3565, GNorm = 0.6348, lr_0 = 3.9423e-04\n",
+      "Loss = 8.3930e-01, PNorm = 34.3816, GNorm = 0.8542, lr_0 = 3.3483e-04\n",
+      "Loss = 7.5338e-01, PNorm = 34.4039, GNorm = 2.1820, lr_0 = 2.8438e-04\n",
+      "Loss = 7.9965e-01, PNorm = 34.4240, GNorm = 4.0464, lr_0 = 2.4153e-04\n",
+      "Validation rmse = 1.007880\n",
+      "Model best validation rmse = 1.007880 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:29<00:05,  5.71s/it]Epoch 4\n",
+      "Loss = 9.4934e-01, PNorm = 34.4442, GNorm = 2.7529, lr_0 = 2.0514e-04\n",
+      "Loss = 7.1463e-01, PNorm = 34.4629, GNorm = 1.7879, lr_0 = 1.7423e-04\n",
+      "Loss = 7.0122e-01, PNorm = 34.4785, GNorm = 0.7353, lr_0 = 1.4798e-04\n",
+      "Loss = 7.2596e-01, PNorm = 34.4897, GNorm = 2.7668, lr_0 = 1.2569e-04\n",
+      "Loss = 6.8799e-01, PNorm = 34.4982, GNorm = 2.2652, lr_0 = 1.0675e-04\n",
+      "Validation rmse = 0.988709\n",
+      "Model best validation rmse = 0.988709 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:32<00:00,  6.53s/it]\n",
+      "train size = 2,350 | val size = 262\n",
+      "Total size = 2,612\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 1.0248e+00, PNorm = 33.9641, GNorm = 2.8310, lr_0 = 2.0532e-04\n",
+      "Loss = 9.8230e-01, PNorm = 33.9672, GNorm = 2.7039, lr_0 = 3.0106e-04\n",
+      "Loss = 8.6326e-01, PNorm = 33.9752, GNorm = 6.2004, lr_0 = 3.9681e-04\n",
+      "Loss = 9.9771e-01, PNorm = 33.9858, GNorm = 17.7899, lr_0 = 4.9255e-04\n",
+      "Validation rmse = 1.187259\n",
+      "Model best validation rmse = 1.187259 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:04<00:18,  4.64s/it]Epoch 1\n",
+      "Loss = 1.0094e+00, PNorm = 33.9941, GNorm = 7.3664, lr_0 = 5.8830e-04\n",
+      "Loss = 1.0443e+00, PNorm = 34.0092, GNorm = 0.8962, lr_0 = 6.8404e-04\n",
+      "Loss = 9.4559e-01, PNorm = 34.0362, GNorm = 2.8125, lr_0 = 7.7979e-04\n",
+      "Loss = 8.1075e-01, PNorm = 34.0716, GNorm = 1.2867, lr_0 = 8.7553e-04\n",
+      "Loss = 9.4318e-01, PNorm = 34.1086, GNorm = 1.1371, lr_0 = 9.7128e-04\n",
+      "Validation rmse = 1.066612\n",
+      "Model best validation rmse = 1.066612 on epoch                     1\n",
+      " 40%|████      | 2/5 [00:08<00:12,  4.08s/it]Epoch 2\n",
+      "Loss = 7.3999e-01, PNorm = 34.1535, GNorm = 0.4346, lr_0 = 8.9198e-04\n",
+      "Loss = 7.9198e-01, PNorm = 34.1983, GNorm = 5.6844, lr_0 = 7.5759e-04\n",
+      "Loss = 7.3291e-01, PNorm = 34.2473, GNorm = 0.6201, lr_0 = 6.4344e-04\n",
+      "Loss = 7.7808e-01, PNorm = 34.2874, GNorm = 2.7372, lr_0 = 5.4650e-04\n",
+      "Loss = 8.9753e-01, PNorm = 34.3210, GNorm = 2.4806, lr_0 = 4.6416e-04\n",
+      "Validation rmse = 1.013272\n",
+      "Model best validation rmse = 1.013272 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:12<00:08,  4.13s/it]Epoch 3\n",
+      "Loss = 8.0214e-01, PNorm = 34.3530, GNorm = 1.0864, lr_0 = 3.9423e-04\n",
+      "Loss = 7.2100e-01, PNorm = 34.3792, GNorm = 5.2348, lr_0 = 3.3483e-04\n",
+      "Loss = 7.2450e-01, PNorm = 34.4022, GNorm = 1.3032, lr_0 = 2.8438e-04\n",
+      "Loss = 6.7477e-01, PNorm = 34.4189, GNorm = 0.6692, lr_0 = 2.4153e-04\n",
+      "Validation rmse = 0.984997\n",
+      "Model best validation rmse = 0.984997 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:16<00:03,  3.91s/it]Epoch 4\n",
+      "Loss = 6.5337e-01, PNorm = 34.4337, GNorm = 1.4941, lr_0 = 2.0514e-04\n",
+      "Loss = 7.2274e-01, PNorm = 34.4473, GNorm = 4.5168, lr_0 = 1.7423e-04\n",
+      "Loss = 6.9917e-01, PNorm = 34.4585, GNorm = 1.9005, lr_0 = 1.4798e-04\n",
+      "Loss = 6.9283e-01, PNorm = 34.4689, GNorm = 1.4910, lr_0 = 1.2569e-04\n",
+      "Loss = 6.0776e-01, PNorm = 34.4784, GNorm = 2.3038, lr_0 = 1.0675e-04\n",
+      "Validation rmse = 0.970690\n",
+      "Model best validation rmse = 0.970690 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:19<00:00,  3.95s/it]\n",
+      "train size = 2,350 | val size = 262\n",
+      "Total size = 2,612\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 1.0159e+00, PNorm = 33.9637, GNorm = 5.4536, lr_0 = 2.0532e-04\n",
+      "Loss = 9.6508e-01, PNorm = 33.9656, GNorm = 2.0029, lr_0 = 3.0106e-04\n",
+      "Loss = 9.2271e-01, PNorm = 33.9719, GNorm = 1.0822, lr_0 = 3.9681e-04\n",
+      "Loss = 1.0040e+00, PNorm = 33.9812, GNorm = 9.5395, lr_0 = 4.9255e-04\n",
+      "Validation rmse = 1.219072\n",
+      "Model best validation rmse = 1.219072 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:03<00:15,  3.75s/it]Epoch 1\n",
+      "Loss = 9.1799e-01, PNorm = 33.9910, GNorm = 4.0710, lr_0 = 5.8830e-04\n",
+      "Loss = 9.8140e-01, PNorm = 34.0062, GNorm = 1.1808, lr_0 = 6.8404e-04\n",
+      "Loss = 7.7771e-01, PNorm = 34.0314, GNorm = 2.9937, lr_0 = 7.7979e-04\n",
+      "Loss = 9.9337e-01, PNorm = 34.0557, GNorm = 0.9449, lr_0 = 8.7553e-04\n",
+      "Loss = 8.7814e-01, PNorm = 34.1022, GNorm = 1.8016, lr_0 = 9.7128e-04\n",
+      "Validation rmse = 1.060404\n",
+      "Model best validation rmse = 1.060404 on epoch                     1\n",
+      " 40%|████      | 2/5 [00:07<00:11,  3.75s/it]Epoch 2\n",
+      "Loss = 8.7579e-01, PNorm = 34.1555, GNorm = 0.6882, lr_0 = 8.9198e-04\n",
+      "Loss = 7.9147e-01, PNorm = 34.2025, GNorm = 4.0001, lr_0 = 7.5759e-04\n",
+      "Loss = 9.1854e-01, PNorm = 34.2502, GNorm = 1.1780, lr_0 = 6.4344e-04\n",
+      "Loss = 8.7270e-01, PNorm = 34.2919, GNorm = 3.2980, lr_0 = 5.4650e-04\n",
+      "Loss = 7.4622e-01, PNorm = 34.3230, GNorm = 1.2139, lr_0 = 4.6416e-04\n",
+      "Validation rmse = 1.028341\n",
+      "Model best validation rmse = 1.028341 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:11<00:07,  3.71s/it]Epoch 3\n",
+      "Loss = 8.6318e-01, PNorm = 34.3555, GNorm = 3.3662, lr_0 = 3.9423e-04\n",
+      "Loss = 8.0665e-01, PNorm = 34.3837, GNorm = 2.2241, lr_0 = 3.3483e-04\n",
+      "Loss = 7.4221e-01, PNorm = 34.4080, GNorm = 2.6576, lr_0 = 2.8438e-04\n",
+      "Loss = 7.2206e-01, PNorm = 34.4293, GNorm = 1.9117, lr_0 = 2.4153e-04\n",
+      "Validation rmse = 0.991911\n",
+      "Model best validation rmse = 0.991911 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:15<00:03,  3.76s/it]Epoch 4\n",
+      "Loss = 5.3762e-01, PNorm = 34.4453, GNorm = 1.6824, lr_0 = 2.0514e-04\n",
+      "Loss = 7.4128e-01, PNorm = 34.4595, GNorm = 3.5782, lr_0 = 1.7423e-04\n",
+      "Loss = 6.6491e-01, PNorm = 34.4722, GNorm = 1.5103, lr_0 = 1.4798e-04\n",
+      "Loss = 7.1596e-01, PNorm = 34.4831, GNorm = 2.4865, lr_0 = 1.2569e-04\n",
+      "Loss = 7.5453e-01, PNorm = 34.4920, GNorm = 3.0035, lr_0 = 1.0675e-04\n",
+      "Validation rmse = 0.982648\n",
+      "Model best validation rmse = 0.982648 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:19<00:00,  3.85s/it]\n",
+      "train size = 2,350 | val size = 262\n",
+      "Total size = 2,612\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 9.6161e-01, PNorm = 33.9641, GNorm = 1.6660, lr_0 = 2.0532e-04\n",
+      "Loss = 9.6434e-01, PNorm = 33.9682, GNorm = 2.2360, lr_0 = 3.0106e-04\n",
+      "Loss = 9.1577e-01, PNorm = 33.9766, GNorm = 1.2693, lr_0 = 3.9681e-04\n",
+      "Loss = 8.7676e-01, PNorm = 33.9862, GNorm = 2.5774, lr_0 = 4.9255e-04\n",
+      "Validation rmse = 1.108638\n",
+      "Model best validation rmse = 1.108638 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:04<00:17,  4.49s/it]Epoch 1\n",
+      "Loss = 8.4993e-01, PNorm = 34.0001, GNorm = 0.8386, lr_0 = 5.8830e-04\n",
+      "Loss = 9.8678e-01, PNorm = 34.0131, GNorm = 2.7058, lr_0 = 6.8404e-04\n",
+      "Loss = 8.8839e-01, PNorm = 34.0378, GNorm = 1.1372, lr_0 = 7.7979e-04\n",
+      "Loss = 7.7432e-01, PNorm = 34.0686, GNorm = 1.2038, lr_0 = 8.7553e-04\n",
+      "Loss = 1.1474e+00, PNorm = 34.1035, GNorm = 3.3968, lr_0 = 9.7128e-04\n",
+      "Validation rmse = 1.177985\n",
+      "Model best validation rmse = 1.108638 on epoch                     0\n",
+      " 40%|████      | 2/5 [00:08<00:12,  4.09s/it]Epoch 2\n",
+      "Loss = 8.3051e-01, PNorm = 34.1485, GNorm = 1.0922, lr_0 = 8.9198e-04\n",
+      "Loss = 8.9588e-01, PNorm = 34.1976, GNorm = 5.2871, lr_0 = 7.5759e-04\n",
+      "Loss = 9.2366e-01, PNorm = 34.2279, GNorm = 3.3864, lr_0 = 6.4344e-04\n",
+      "Loss = 8.5504e-01, PNorm = 34.2606, GNorm = 2.3551, lr_0 = 5.4650e-04\n",
+      "Loss = 7.7818e-01, PNorm = 34.2963, GNorm = 0.9439, lr_0 = 4.6416e-04\n",
+      "Validation rmse = 1.037084\n",
+      "Model best validation rmse = 1.037084 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:12<00:07,  3.94s/it]Epoch 3\n",
+      "Loss = 7.9421e-01, PNorm = 34.3247, GNorm = 4.1104, lr_0 = 3.9423e-04\n",
+      "Loss = 7.8451e-01, PNorm = 34.3525, GNorm = 1.2666, lr_0 = 3.3483e-04\n",
+      "Loss = 6.9671e-01, PNorm = 34.3715, GNorm = 2.9573, lr_0 = 2.8438e-04\n",
+      "Loss = 7.4009e-01, PNorm = 34.3886, GNorm = 0.6557, lr_0 = 2.4153e-04\n",
+      "Validation rmse = 0.981765\n",
+      "Model best validation rmse = 0.981765 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:15<00:03,  3.89s/it]Epoch 4\n",
+      "Loss = 7.7988e-01, PNorm = 34.4067, GNorm = 4.3733, lr_0 = 2.0514e-04\n",
+      "Loss = 7.9419e-01, PNorm = 34.4241, GNorm = 1.3760, lr_0 = 1.7423e-04\n",
+      "Loss = 7.1167e-01, PNorm = 34.4357, GNorm = 2.8875, lr_0 = 1.4798e-04\n",
+      "Loss = 7.0467e-01, PNorm = 34.4454, GNorm = 3.5834, lr_0 = 1.2569e-04\n",
+      "Loss = 6.8785e-01, PNorm = 34.4530, GNorm = 2.9794, lr_0 = 1.0675e-04\n",
+      "Validation rmse = 0.975451\n",
+      "Model best validation rmse = 0.975451 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:19<00:00,  3.92s/it]\n",
+      "train size = 2,350 | val size = 262\n",
+      "Total size = 2,612\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 9.9853e-01, PNorm = 33.9638, GNorm = 0.7330, lr_0 = 2.0532e-04\n",
+      "Loss = 9.0244e-01, PNorm = 33.9673, GNorm = 1.3094, lr_0 = 3.0106e-04\n",
+      "Loss = 9.1198e-01, PNorm = 33.9744, GNorm = 7.3457, lr_0 = 3.9681e-04\n",
+      "Loss = 8.4574e-01, PNorm = 33.9827, GNorm = 0.6453, lr_0 = 4.9255e-04\n",
+      "Validation rmse = 1.126597\n",
+      "Model best validation rmse = 1.126597 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:03<00:14,  3.68s/it]Epoch 1\n",
+      "Loss = 7.2963e-01, PNorm = 33.9978, GNorm = 6.8186, lr_0 = 5.8830e-04\n",
+      "Loss = 8.5872e-01, PNorm = 34.0202, GNorm = 4.4879, lr_0 = 6.8404e-04\n",
+      "Loss = 9.3638e-01, PNorm = 34.0516, GNorm = 9.6551, lr_0 = 7.7979e-04\n",
+      "Loss = 8.3926e-01, PNorm = 34.0857, GNorm = 1.9290, lr_0 = 8.7553e-04\n",
+      "Loss = 8.7462e-01, PNorm = 34.1292, GNorm = 5.5581, lr_0 = 9.7128e-04\n",
+      "Validation rmse = 1.097221\n",
+      "Model best validation rmse = 1.097221 on epoch                     1\n",
+      " 40%|████      | 2/5 [00:07<00:11,  3.72s/it]Epoch 2\n",
+      "Loss = 7.0086e-01, PNorm = 34.1800, GNorm = 1.1642, lr_0 = 8.9198e-04\n",
+      "Loss = 8.1189e-01, PNorm = 34.2347, GNorm = 1.9810, lr_0 = 7.5759e-04\n",
+      "Loss = 8.2363e-01, PNorm = 34.2844, GNorm = 1.2317, lr_0 = 6.4344e-04\n",
+      "Loss = 7.0713e-01, PNorm = 34.3177, GNorm = 2.4536, lr_0 = 5.4650e-04\n",
+      "Loss = 7.7721e-01, PNorm = 34.3508, GNorm = 1.6281, lr_0 = 4.6416e-04\n",
+      "Validation rmse = 1.073977\n",
+      "Model best validation rmse = 1.073977 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:11<00:07,  3.99s/it]Epoch 3\n",
+      "Loss = 7.5941e-01, PNorm = 34.3801, GNorm = 3.1207, lr_0 = 3.9423e-04\n",
+      "Loss = 7.2962e-01, PNorm = 34.4056, GNorm = 3.0835, lr_0 = 3.3483e-04\n",
+      "Loss = 7.1125e-01, PNorm = 34.4243, GNorm = 0.9759, lr_0 = 2.8438e-04\n",
+      "Loss = 7.5164e-01, PNorm = 34.4441, GNorm = 0.8565, lr_0 = 2.4153e-04\n",
+      "Validation rmse = 1.025282\n",
+      "Model best validation rmse = 1.025282 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:15<00:03,  3.91s/it]Epoch 4\n",
+      "Loss = 6.7920e-01, PNorm = 34.4617, GNorm = 1.9947, lr_0 = 2.0514e-04\n",
+      "Loss = 6.7991e-01, PNorm = 34.4746, GNorm = 1.0946, lr_0 = 1.7423e-04\n",
+      "Loss = 6.8062e-01, PNorm = 34.4850, GNorm = 4.5501, lr_0 = 1.4798e-04\n",
+      "Loss = 6.0686e-01, PNorm = 34.4954, GNorm = 0.9835, lr_0 = 1.2569e-04\n",
+      "Loss = 6.7101e-01, PNorm = 34.5059, GNorm = 3.1859, lr_0 = 1.0675e-04\n",
+      "Validation rmse = 0.977678\n",
+      "Model best validation rmse = 0.977678 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:19<00:00,  3.84s/it]\n",
+      "train size = 2,938 | val size = 327\n",
+      "Total size = 3,265\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 1.0170e+00, PNorm = 33.9636, GNorm = 11.4309, lr_0 = 1.8534e-04\n",
+      "Loss = 8.9154e-01, PNorm = 33.9655, GNorm = 2.1009, lr_0 = 2.6293e-04\n",
+      "Loss = 9.9012e-01, PNorm = 33.9699, GNorm = 5.2935, lr_0 = 3.4052e-04\n",
+      "Loss = 1.1180e+00, PNorm = 33.9757, GNorm = 7.3783, lr_0 = 4.1810e-04\n",
+      "Loss = 9.7764e-01, PNorm = 33.9835, GNorm = 1.6488, lr_0 = 4.9569e-04\n",
+      "Validation rmse = 1.021993\n",
+      "Model best validation rmse = 1.021993 on epoch                     0\n",
+      " 20%|██        | 1/5 [00:04<00:19,  4.80s/it]Epoch 1\n",
+      "Loss = 7.5355e-01, PNorm = 34.0035, GNorm = 2.5964, lr_0 = 5.8103e-04\n",
+      "Loss = 8.5921e-01, PNorm = 34.0240, GNorm = 4.7273, lr_0 = 6.5862e-04\n",
+      "Loss = 9.1011e-01, PNorm = 34.0527, GNorm = 6.8103, lr_0 = 7.3621e-04\n",
+      "Loss = 9.2334e-01, PNorm = 34.0865, GNorm = 1.4559, lr_0 = 8.1379e-04\n",
+      "Loss = 8.8782e-01, PNorm = 34.1316, GNorm = 0.8523, lr_0 = 8.9138e-04\n",
+      "Loss = 8.6712e-01, PNorm = 34.1926, GNorm = 4.2133, lr_0 = 9.6897e-04\n",
+      "Validation rmse = 0.933249\n",
+      "Model best validation rmse = 0.933249 on epoch                     1\n",
+      " 40%|████      | 2/5 [00:09<00:14,  4.78s/it]Epoch 2\n",
+      "Loss = 8.9621e-01, PNorm = 34.2660, GNorm = 3.3422, lr_0 = 9.2367e-04\n",
+      "Loss = 8.1042e-01, PNorm = 34.3290, GNorm = 4.6028, lr_0 = 8.0918e-04\n",
+      "Loss = 6.9660e-01, PNorm = 34.3812, GNorm = 1.2373, lr_0 = 7.0888e-04\n",
+      "Loss = 8.4112e-01, PNorm = 34.4247, GNorm = 3.4195, lr_0 = 6.2102e-04\n",
+      "Loss = 7.4547e-01, PNorm = 34.4695, GNorm = 2.2296, lr_0 = 5.4404e-04\n",
+      "Loss = 7.6372e-01, PNorm = 34.5140, GNorm = 3.5317, lr_0 = 4.7661e-04\n",
+      "Validation rmse = 0.905393\n",
+      "Model best validation rmse = 0.905393 on epoch                     2\n",
+      " 60%|██████    | 3/5 [00:14<00:09,  4.79s/it]Epoch 3\n",
+      "Loss = 9.1666e-01, PNorm = 34.5557, GNorm = 1.8569, lr_0 = 4.1753e-04\n",
+      "Loss = 6.0185e-01, PNorm = 34.5969, GNorm = 0.9774, lr_0 = 3.6578e-04\n",
+      "Loss = 6.7341e-01, PNorm = 34.6261, GNorm = 2.3029, lr_0 = 3.2044e-04\n",
+      "Loss = 6.5004e-01, PNorm = 34.6498, GNorm = 6.2139, lr_0 = 2.8072e-04\n",
+      "Loss = 6.4573e-01, PNorm = 34.6664, GNorm = 1.7850, lr_0 = 2.4593e-04\n",
+      "Loss = 6.8536e-01, PNorm = 34.6824, GNorm = 1.1269, lr_0 = 2.1544e-04\n",
+      "Validation rmse = 0.860619\n",
+      "Model best validation rmse = 0.860619 on epoch                     3\n",
+      " 80%|████████  | 4/5 [00:19<00:04,  4.73s/it]Epoch 4\n",
+      "Loss = 6.7648e-01, PNorm = 34.7008, GNorm = 5.0548, lr_0 = 1.8874e-04\n",
+      "Loss = 7.0349e-01, PNorm = 34.7170, GNorm = 5.6085, lr_0 = 1.6534e-04\n",
+      "Loss = 5.8797e-01, PNorm = 34.7339, GNorm = 1.0818, lr_0 = 1.4485e-04\n",
+      "Loss = 6.9574e-01, PNorm = 34.7465, GNorm = 1.0938, lr_0 = 1.2690e-04\n",
+      "Loss = 5.5851e-01, PNorm = 34.7565, GNorm = 4.3766, lr_0 = 1.1117e-04\n",
+      "Loss = 5.7325e-01, PNorm = 34.7642, GNorm = 3.3861, lr_0 = 1.0000e-04\n",
+      "Validation rmse = 0.820985\n",
+      "Model best validation rmse = 0.820985 on epoch                     4\n",
+      "100%|██████████| 5/5 [00:24<00:00,  4.83s/it]\n",
+      "Total size = 4,082\n",
+      "Fitting scaler\n",
+      "Number of parameters = 355,201\n",
+      "Moving model to cuda\n",
+      "  0%|          | 0/5 [00:00<?, ?it/s]Epoch 0\n",
+      "Loss = 9.4430e-01, PNorm = 33.9636, GNorm = 4.8548, lr_0 = 1.6111e-04\n",
+      "Loss = 1.0211e+00, PNorm = 33.9653, GNorm = 4.1721, lr_0 = 2.1667e-04\n",
+      "Loss = 9.6043e-01, PNorm = 33.9695, GNorm = 0.6979, lr_0 = 2.7222e-04\n",
+      "Loss = 8.4431e-01, PNorm = 33.9765, GNorm = 1.1135, lr_0 = 3.2778e-04\n",
+      "Loss = 9.5611e-01, PNorm = 33.9833, GNorm = 11.0795, lr_0 = 3.8333e-04\n",
+      "Loss = 8.6006e-01, PNorm = 33.9941, GNorm = 3.5641, lr_0 = 4.3889e-04\n",
+      "Loss = 8.9175e-01, PNorm = 34.0097, GNorm = 8.6917, lr_0 = 4.9444e-04\n",
+      "Loss = 9.0584e-01, PNorm = 34.0293, GNorm = 7.4949, lr_0 = 5.5000e-04\n",
+      " 20%|██        | 1/5 [00:07<00:29,  7.26s/it]Epoch 1\n",
+      "Loss = 8.6427e-01, PNorm = 34.0564, GNorm = 12.6435, lr_0 = 6.1111e-04\n",
+      "Loss = 8.6439e-01, PNorm = 34.0854, GNorm = 2.9525, lr_0 = 6.6667e-04\n",
+      "Loss = 8.7216e-01, PNorm = 34.1201, GNorm = 0.6086, lr_0 = 7.2222e-04\n",
+      "Loss = 8.5656e-01, PNorm = 34.1564, GNorm = 7.9748, lr_0 = 7.7778e-04\n",
+      "Loss = 8.6763e-01, PNorm = 34.2061, GNorm = 1.3233, lr_0 = 8.3333e-04\n",
+      "Loss = 8.2510e-01, PNorm = 34.2576, GNorm = 1.2597, lr_0 = 8.8889e-04\n",
+      "Loss = 8.5615e-01, PNorm = 34.3283, GNorm = 1.8525, lr_0 = 9.4444e-04\n",
+      "Loss = 7.7722e-01, PNorm = 34.3971, GNorm = 6.2036, lr_0 = 1.0000e-03\n",
+      " 40%|████      | 2/5 [00:13<00:20,  6.90s/it]Epoch 2\n",
+      "Loss = 8.2419e-01, PNorm = 34.4623, GNorm = 1.2522, lr_0 = 9.0959e-04\n",
+      "Loss = 6.8186e-01, PNorm = 34.5338, GNorm = 3.2453, lr_0 = 8.2736e-04\n",
+      "Loss = 7.5162e-01, PNorm = 34.5945, GNorm = 4.5183, lr_0 = 7.5256e-04\n",
+      "Loss = 7.4107e-01, PNorm = 34.6451, GNorm = 4.3620, lr_0 = 6.8453e-04\n",
+      "Loss = 6.9100e-01, PNorm = 34.6894, GNorm = 6.9087, lr_0 = 6.2264e-04\n",
+      "Loss = 7.0512e-01, PNorm = 34.7340, GNorm = 2.4326, lr_0 = 5.6635e-04\n",
+      "Loss = 7.0569e-01, PNorm = 34.7760, GNorm = 0.9125, lr_0 = 5.1515e-04\n",
+      "Loss = 6.1139e-01, PNorm = 34.8094, GNorm = 1.5326, lr_0 = 4.6858e-04\n",
+      " 60%|██████    | 3/5 [00:19<00:12,  6.45s/it]Epoch 3\n",
+      "Loss = 6.5085e-01, PNorm = 34.8537, GNorm = 3.0652, lr_0 = 4.2220e-04\n",
+      "Loss = 5.8856e-01, PNorm = 34.8901, GNorm = 6.8293, lr_0 = 3.8403e-04\n",
+      "Loss = 6.4166e-01, PNorm = 34.9201, GNorm = 2.8731, lr_0 = 3.4931e-04\n",
+      "Loss = 6.3637e-01, PNorm = 34.9453, GNorm = 3.0439, lr_0 = 3.1773e-04\n",
+      "Loss = 5.7868e-01, PNorm = 34.9627, GNorm = 4.8165, lr_0 = 2.8900e-04\n",
+      "Loss = 6.6469e-01, PNorm = 34.9863, GNorm = 1.0559, lr_0 = 2.6288e-04\n",
+      "Loss = 5.8377e-01, PNorm = 35.0073, GNorm = 1.3895, lr_0 = 2.3911e-04\n",
+      "Loss = 5.7520e-01, PNorm = 35.0224, GNorm = 4.6767, lr_0 = 2.1749e-04\n",
+      " 80%|████████  | 4/5 [00:25<00:06,  6.25s/it]Epoch 4\n",
+      "Loss = 6.2194e-01, PNorm = 35.0325, GNorm = 3.9125, lr_0 = 1.9783e-04\n",
+      "Loss = 5.7686e-01, PNorm = 35.0459, GNorm = 1.7605, lr_0 = 1.7995e-04\n",
+      "Loss = 5.8290e-01, PNorm = 35.0615, GNorm = 2.2839, lr_0 = 1.6368e-04\n",
+      "Loss = 5.2093e-01, PNorm = 35.0742, GNorm = 1.8857, lr_0 = 1.4888e-04\n",
+      "Loss = 5.2086e-01, PNorm = 35.0838, GNorm = 3.4072, lr_0 = 1.3542e-04\n",
+      "Loss = 6.0942e-01, PNorm = 35.0936, GNorm = 2.0931, lr_0 = 1.2318e-04\n",
+      "Loss = 6.1745e-01, PNorm = 35.1027, GNorm = 8.4424, lr_0 = 1.1204e-04\n",
+      "Loss = 5.0599e-01, PNorm = 35.1089, GNorm = 1.0934, lr_0 = 1.0191e-04\n",
+      "100%|██████████| 5/5 [00:31<00:00,  6.35s/it]\n",
+      "qsprpred - WARNING - Early stopping did not yield a best model, using last model instead.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "from qsprpred.models.early_stopping import EarlyStoppingMode\n",
+    "\n",
+    "# We can now assess the model performance on the training set using cross validation\n",
+    "CrossValAssessor('r2')(model, dataset)\n",
+    "\n",
+    "# and on the test set\n",
+    "TestSetAssessor('r2')(model, dataset)\n",
+    "\n",
+    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
+    "# This will save the fitted model and metadata to disk\n",
+    "model.earlyStopping.numEpochs = 5\n",
+    "model.fitDataset(dataset, mode=EarlyStoppingMode.FIXED)\n",
+    "\n",
+    "# We can optionally save the model and metadata to disk explicitly as well\n",
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "ChempropTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 569.5x400 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.regression import CorrelationPlot\n",
+    "\n",
+    "plot = CorrelationPlot([model])\n",
+    "axes, summary = plot.make(save=False, show=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Model</th>\n",
+       "      <th>Fold</th>\n",
+       "      <th>Property</th>\n",
+       "      <th>R2</th>\n",
+       "      <th>RMSE</th>\n",
+       "      <th>Set</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.364764</td>\n",
+       "      <td>0.923366</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.274390</td>\n",
+       "      <td>1.001930</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.319186</td>\n",
+       "      <td>0.946741</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.278532</td>\n",
+       "      <td>0.965912</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.233830</td>\n",
+       "      <td>1.025186</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>ChempropTutorialModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.362437</td>\n",
+       "      <td>0.937360</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                   Model              Fold            Property        R2  \\\n",
+       "0  ChempropTutorialModel               0.0  pchembl_value_Mean  0.364764   \n",
+       "1  ChempropTutorialModel               1.0  pchembl_value_Mean  0.274390   \n",
+       "2  ChempropTutorialModel               2.0  pchembl_value_Mean  0.319186   \n",
+       "3  ChempropTutorialModel               3.0  pchembl_value_Mean  0.278532   \n",
+       "4  ChempropTutorialModel               4.0  pchembl_value_Mean  0.233830   \n",
+       "5  ChempropTutorialModel  Independent Test  pchembl_value_Mean  0.362437   \n",
+       "\n",
+       "       RMSE               Set  \n",
+       "0  0.923366  Cross Validation  \n",
+       "1  1.001930  Cross Validation  \n",
+       "2  0.946741  Cross Validation  \n",
+       "3  0.965912  Cross Validation  \n",
+       "4  1.025186  Cross Validation  \n",
+       "5  0.937360  Independent Test  "
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "summary"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/custom_models.ipynb b/tutorials/advanced/modelling/custom_models.ipynb
new file mode 100644
index 00000000..e32a79cf
--- /dev/null
+++ b/tutorials/advanced/modelling/custom_models.ipynb
@@ -0,0 +1,909 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Adding custom models\n",
+    "\n",
+    "QSPRpred is designed to be modular, so that new components can be added easily.\n",
+    "Here we will give some general explanation on how to add new components and show you how to add a new model."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## General explanation\n",
+    "\n",
+    "Each module in QSPRpred has an `interfaces.py` file that contains base classes for the components of that module.\n",
+    "These base classes are used to define the interface of the components and to ensure that the components are compatible with the rest of the package.\n",
+    "The base classes are not meant to be used directly, but rather to be subclassed by the user to create new components.\n",
+    "You can see the base classes as a template that you can use to create your own components.\n",
+    "\n",
+    "Steps to add a new component:\n",
+    "1. Find the base class for the component you want to add in the `interfaces.py` file of the module you want to add the component to.\n",
+    "2. Create a new class that inherits from the base class.\n",
+    "3. Implement the abstract methods of the base class in your new class.\n",
+    "4. Check the inputs and outputs of the new methods match the ones defined in the base class (see the docstrings of the base class).\n",
+    "5. Check that your new class is compatible with the rest of the package by running the tests."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Adding a new model"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Here we will show how to create a new `QSPRModel` that uses GZIP-KNN as the underlying estimator.\n",
+    "Below I added the code for the Gzip KNN algorithm as described in [1], which is a _k_-nearest neighbors algorithm that uses the ncd (normalized compression distance) as the distance metric.\n",
+    "\n",
+    "[1] Jiang, Zhiying et al. 2023. “‘Low-Resource’ Text Classification: A Parameter-Free Classification Method with Compressors.” In Findings of the Association for Computational Linguistics: ACL 2023, Toronto, Canada: Association for Computational Linguistics, 6810–28. https://aclanthology.org/2023.findings-acl.426 (July 14, 2023)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "['ClassB', 'ClassA', 'ClassB', 'ClassA']\n"
+     ]
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "\n",
+    "\n",
+    "def gzip_knn(X_train: np.ndarray, y_train: np.ndarray, X_test, k: int = 3):\n",
+    "    \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
+    "    \n",
+    "    Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
+    "\n",
+    "    Args:\n",
+    "        X_train (np.ndarray): training set input (SMILES strings)\n",
+    "        y_train (np.ndarray): training set output (class labels)\n",
+    "        X_train (np.ndarray): test set input (SMILES strings)\n",
+    "        k (int): number of nearest neighbors to consider\n",
+    "        \n",
+    "    Returns:\n",
+    "        predict_class (list[str]): predicted class for each test instance\n",
+    "    \"\"\"\n",
+    "    import gzip\n",
+    "    predicted_class = []\n",
+    "    for (x1) in X_test:\n",
+    "        Cx1 = len(gzip.compress(x1.encode()))\n",
+    "        distance_from_x1 = []\n",
+    "        for (x2) in X_train:\n",
+    "            Cx2 = len(gzip.compress(x2.encode()))\n",
+    "            x1x2 = \"\".join([x1, x2])\n",
+    "            Cx1x2 = len(gzip.compress(x1x2.encode()))\n",
+    "            ncd = (Cx1x2 - min(Cx1, Cx2)) / max(Cx1, Cx2)\n",
+    "            distance_from_x1.append(ncd)\n",
+    "        sorted_idx = np.argsort(np.array(distance_from_x1))\n",
+    "        top_k_class = y_train[sorted_idx[:k]]\n",
+    "        predicted_class.append(max(set(top_k_class), key=list(top_k_class).count))\n",
+    "    return predicted_class\n",
+    "\n",
+    "\n",
+    "# Example training set\n",
+    "smiles_train = np.array(\n",
+    "    [\"c1ccccc1\", \"c1ccccc1C\", \"c1ccccc1CC\", \"c1ccccc1CCC\", \"Fc1ccccc1F\",\n",
+    "     \"Clc1ccccc1Cl\"])\n",
+    "train_class = np.array([\"ClassA\", \"ClassB\", \"ClassA\", \"ClassB\", \"ClassB\", \"ClassB\"])\n",
+    "smiles_test = np.array([\"c1ccccc1\", \"c1ccccc1C\", \"c1ccccc1F\", \"CCX\"])\n",
+    "\n",
+    "print(gzip_knn(X_train=smiles_train, y_train=train_class, X_test=smiles_test))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "As we want to use this algorithm to do cross-validation and hyperparameter optimization, let's have a quick look if we can speed up the algorithm by replacing the double for loop with a vectorized implementation. Also, we will return the class probabilities in addition to the predicted class, by dividing the number of neighbors of each class by the total number of neighbors in the majority voting."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "def gzip_knn_fast(X_train, y_train, X_test, k: int = 3):\n",
+    "    \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
+    "    \n",
+    "    Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
+    "\n",
+    "    Args:\n",
+    "        X_train (np.ndarray): training set input (SMILES strings)\n",
+    "        y_train (np.ndarray): training set output (class labels)\n",
+    "        X_train (np.ndarray): test set input (SMILES strings)\n",
+    "        k (int): number of nearest neighbors to consider\n",
+    "        \n",
+    "    Returns:\n",
+    "        predict_class (list[str]): predicted class for each test instance\n",
+    "    \"\"\"\n",
+    "    import gzip\n",
+    "    from itertools import product\n",
+    "    classes = np.unique(y_train)\n",
+    "    class_label_map = {c: i for i, c in enumerate(classes)}\n",
+    "\n",
+    "    # Convert class labels to integers\n",
+    "    training_labels = np.array([class_label_map[label] for label in y_train])\n",
+    "\n",
+    "    # Compute compressed lengths for training set and test set\n",
+    "    training_compressed_lengths = np.array(\n",
+    "        [len(gzip.compress(x.encode())) for x in X_train])\n",
+    "    test_compressed_lengths = np.array([len(gzip.compress(x.encode())) for x in X_test])\n",
+    "\n",
+    "    # Combine sets and compute compressed lengths\n",
+    "    combined_strings = np.array(list(map(''.join, product(X_test, X_train))))\n",
+    "    combined_compressed_lengths = np.array(\n",
+    "        [len(gzip.compress(x.encode())) for x in combined_strings]).reshape(len(X_test),\n",
+    "                                                                            len(X_train))\n",
+    "\n",
+    "    # Compute NCD matrix\n",
+    "    ncd_matrix = (combined_compressed_lengths - np.minimum.outer(\n",
+    "        test_compressed_lengths, training_compressed_lengths)) / np.maximum.outer(\n",
+    "        test_compressed_lengths, training_compressed_lengths)\n",
+    "\n",
+    "    # Find the top-k classes for each test instance\n",
+    "    top_k_indices = np.argsort(ncd_matrix, axis=1)[:, :k]\n",
+    "    top_k_classes = training_labels[top_k_indices]\n",
+    "\n",
+    "    # Compute predicted class and class probabilities\n",
+    "    predicted_class = np.array([np.argmax(np.bincount(row)) for row in top_k_classes])\n",
+    "    class_probabilities = np.array(\n",
+    "        [np.bincount(row, minlength=len(classes)) / k for row in top_k_classes])\n",
+    "\n",
+    "    # Map predicted class back to original labels\n",
+    "    predicted_class = np.array([classes[label] for label in predicted_class])\n",
+    "\n",
+    "    return predicted_class, class_probabilities"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "3.0806471319810953\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "1.5557007909810636\n"
+     ]
+    }
+   ],
+   "source": [
+    "# test speed of gzip_knn\n",
+    "\n",
+    "# create larger training set\n",
+    "TRAIN_SIZE, TEST_SIZE, REPEATS = 1000, 100, 1\n",
+    "smiles_train_large = np.array([\"c1ccccc1\"] * TRAIN_SIZE)\n",
+    "train_class_large = np.array(\n",
+    "    [np.random.choice([\"ClassA\", \"ClassB\", \"ClassC\"]) for i in range(TRAIN_SIZE)])\n",
+    "smiles_test_large = np.array([\"c1ccccc1\"] * TEST_SIZE)\n",
+    "\n",
+    "# original gzip_knn\n",
+    "import timeit\n",
+    "\n",
+    "print(timeit.timeit(\n",
+    "    lambda: gzip_knn(X_train=smiles_train_large, y_train=train_class_large,\n",
+    "                     X_test=smiles_test_large), number=REPEATS) / REPEATS)\n",
+    "\n",
+    "# faster gzip_knn\n",
+    "print(timeit.timeit(\n",
+    "    lambda: gzip_knn_fast(X_train=smiles_train_large, y_train=train_class_large,\n",
+    "                          X_test=smiles_test_large), number=REPEATS) / REPEATS)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "This significantly speeds up the algorithm, so let's continue with the second implementation. \n",
+    "\n",
+    "Now for the implementation of the `QSPRModel` Gzip KNN, we find the base class for models `QSPRModels` in the `interfaces.py` file of the `models` module.\n",
+    "In the `models.py` file of the `models` module you can also find an example of a model that inherits from the base class `QSPRSklearn`, which uses estimators from the `scikit-learn` package.\n",
+    "\n",
+    "There are six abstract methods that need to be implemented from `QSPRModel` class in our new class `GzipKNNModel`:\n",
+    "- `fit`, which trains the model\n",
+    "- `predict`, which makes predictions with the trained model\n",
+    "- `predictProba`, which makes probability predictions with the trained model (classification only)\n",
+    "- `loadEstimator`, which loads a new estimator instance from given parameters\n",
+    "- `loadEstimatorFromFile`, wich loads a new estimator instance from a file\n",
+    "- `saveEstimator`, which saves the estimator instance to a file\n",
+    "\n",
+    "But before we implement these methods, we just re-write the algorithm as a class so that we can use it as an estimator in the `GzipKNNModel` class. The only thing that is added here is an `__init__` method, to save some parameters of the algorithm, for example to use in the `saveEstimator` method."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(array(['ClassB', 'ClassA', 'ClassB', 'ClassA'], dtype='<U6'), array([[0.33333333, 0.66666667],\n",
+      "       [0.66666667, 0.33333333],\n",
+      "       [0.33333333, 0.66666667],\n",
+      "       [0.66666667, 0.33333333]]))\n"
+     ]
+    }
+   ],
+   "source": [
+    "import gzip\n",
+    "import numpy as np\n",
+    "from typing import Tuple\n",
+    "from itertools import product\n",
+    "\n",
+    "\n",
+    "class GzipKNNAlgorithm:\n",
+    "    \"\"\"A KNN algorithm using the NCD metric to calculate the distance between two strings.\n",
+    "    \n",
+    "    Attributes:\n",
+    "        k (int): number of nearest neighbors to consider\n",
+    "        X_train (np.ndarray): training set input (SMILES strings)\n",
+    "        y_train (np.ndarray): training set output (class labels)\n",
+    "    \"\"\"\n",
+    "\n",
+    "    def __init__(self, k: int = 3):\n",
+    "        \"\"\"Initialize the gzip knn algorithm.\n",
+    "        \n",
+    "        Args:\n",
+    "            k (int): number of nearest neighbors to consider\n",
+    "        \"\"\"\n",
+    "        self.k = k\n",
+    "        self.X_train = None\n",
+    "        self.y_train = None\n",
+    "\n",
+    "    def __call__(self, X_test: np.ndarray) -> Tuple[list[str | int], list[list[float]]]:\n",
+    "        \"\"\"Predict class for each test instance using k-nearest neighbors with normalized compression distance.\n",
+    "    \n",
+    "        Adapted from Jiang et al.(2023), https://doi.org/10.48550/arXiv.2212.09410\n",
+    "        \n",
+    "        Args:\n",
+    "            X_test (np.ndarray): test set input (SMILES strings)\n",
+    "            \n",
+    "        Returns:\n",
+    "            predict_class (list): predicted class for each test instance\n",
+    "            class_probabilities (list): probability of each class for each test instance\n",
+    "        \"\"\"\n",
+    "        # Convert class labels to integers\n",
+    "        classes = np.unique(self.y_train)\n",
+    "        class_label_map = {c: i for i, c in enumerate(classes)}\n",
+    "\n",
+    "        # Convert class labels to integers\n",
+    "        training_labels = np.array([class_label_map[label] for label in self.y_train])\n",
+    "\n",
+    "        # Compute compressed lengths for training set and test set\n",
+    "        training_compressed_lengths = np.array(\n",
+    "            [len(gzip.compress(x.encode())) for x in self.X_train])\n",
+    "        test_compressed_lengths = np.array(\n",
+    "            [len(gzip.compress(x.encode())) for x in X_test])\n",
+    "\n",
+    "        # Combine sets and compute compressed lengths\n",
+    "        combined_strings = np.array(list(map(''.join, product(X_test, self.X_train))))\n",
+    "        combined_compressed_lengths = np.array(\n",
+    "            [len(gzip.compress(x.encode())) for x in combined_strings]).reshape(\n",
+    "            len(X_test), len(self.X_train))\n",
+    "\n",
+    "        # Compute NCD matrix\n",
+    "        ncd_matrix = (combined_compressed_lengths - np.minimum.outer(\n",
+    "            test_compressed_lengths, training_compressed_lengths)) / np.maximum.outer(\n",
+    "            test_compressed_lengths, training_compressed_lengths)\n",
+    "\n",
+    "        # Find the top-k classes for each test instance\n",
+    "        top_k_indices = np.argsort(ncd_matrix, axis=1)[:, :self.k]\n",
+    "        top_k_classes = training_labels[top_k_indices]\n",
+    "\n",
+    "        # Compute predicted class and class probabilities\n",
+    "        predicted_class = np.array(\n",
+    "            [np.argmax(np.bincount(row)) for row in top_k_classes])\n",
+    "        class_probabilities = np.array(\n",
+    "            [np.bincount(row, minlength=len(classes)) / self.k for row in\n",
+    "             top_k_classes])\n",
+    "\n",
+    "        # Map predicted class back to original labels\n",
+    "        predicted_class = np.array([classes[label] for label in predicted_class])\n",
+    "\n",
+    "        return predicted_class, class_probabilities\n",
+    "\n",
+    "\n",
+    "k = 3\n",
+    "gzip_knn = GzipKNNAlgorithm(k)\n",
+    "gzip_knn.X_train = smiles_train\n",
+    "gzip_knn.y_train = train_class\n",
+    "print(gzip_knn(X_test=smiles_test))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Finally, we create the `GzipKNNModel` class that inherits from the `QSPRModel` class and implements the six methods mentioned above.\n",
+    "\n",
+    "For each method we make sure the inputs and output correspond with the types given in the abstract methods in `QSPRModel`. The methods are implemented as follows:\n",
+    "- `fit`: as this is a lazy learner, we only need to save the training data\n",
+    "- `predict`: we use the `call` method of the `GzipKNNAlgorithm` class to make predictions for the test data,\n",
+    "             we also make sure that the input data is in the correct format (numpy array) and a new estimator instance is created if needed.\n",
+    "- `predictProba`: The same as `predict`, but here we use the returned class_probabilities instead of the predicted class,\n",
+    "                  and we make sure these are returned as a list of numpy arrays.\n",
+    "- `loadEstimator`: we instantiate a new `GzipKNNAlgorithm` instance with the given parameters.\n",
+    "- `loadEstimatorFromFile`: we load a new estimator instance from file, using the json file saved with the             `saveEstimator`  method. It will also load the attached training data if the `fit` method was called before saving.\n",
+    "- `saveEstimator`: we save the estimator instance to a json file, so that it can be loaded later with the `loadEstimatorFromFile` method.\n",
+    "\n",
+    "We also add an __init__ method to the `GzipKNNModel` class, to specify that this model can only be used for single task classification.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred import ModelTasks\n",
+    "import json\n",
+    "from qsprpred.models import EarlyStoppingMode\n",
+    "import pandas as pd\n",
+    "from typing import Optional, Type, Any\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "from qsprpred.models import QSPRModel, FitMonitor\n",
+    "\n",
+    "\n",
+    "class GzipKNNModel(QSPRModel):\n",
+    "    \"\"\"GzipKNNModel class for K-Nearest Neighbors with NCD distance metric.\"\"\"\n",
+    "\n",
+    "    def __init__(\n",
+    "            self,\n",
+    "            base_dir: str,\n",
+    "            name: Optional[str] = None,\n",
+    "            parameters: Optional[dict] = None,\n",
+    "            autoload=True\n",
+    "    ):\n",
+    "        \"\"\"Initialize a QSPR model instance.\n",
+    "\n",
+    "        If the model is loaded from file, the data set is not required.\n",
+    "        Note that the data set is required for fitting and optimization.\n",
+    "\n",
+    "        Args:\n",
+    "            base_dir (str):\n",
+    "                base directory of the model,\n",
+    "                the model files are stored in a subdirectory `{baseDir}/{outDir}/`\n",
+    "            name (str): name of the model\n",
+    "            parameters (dict): dictionary of algorithm specific parameters\n",
+    "            autoload (bool):\n",
+    "                if `True`, the estimator is loaded from the serialized file\n",
+    "                if it exists, otherwise a new instance of alg is created\n",
+    "        \"\"\"\n",
+    "        super().__init__(base_dir, GzipKNNAlgorithm, name, parameters, autoload)\n",
+    "\n",
+    "    @property\n",
+    "    def supportsEarlyStopping(self) -> bool:\n",
+    "        \"\"\"Check if the model supports early stopping.\n",
+    "        \n",
+    "        Returns:\n",
+    "            (bool): whether the model supports early stopping or not\n",
+    "        \"\"\"\n",
+    "        return False\n",
+    "\n",
+    "    def fit(\n",
+    "            self,\n",
+    "            X: pd.DataFrame | np.ndarray,\n",
+    "            y: pd.DataFrame | np.ndarray,\n",
+    "            estimator: Type[GzipKNNAlgorithm] = None,\n",
+    "            mode: EarlyStoppingMode = None,\n",
+    "            monitor: FitMonitor | None = None,\n",
+    "            **kwargs\n",
+    "    ) -> GzipKNNAlgorithm:\n",
+    "        \"\"\"Fit the model to the given data matrix or `QSPRDataset`.\n",
+    "\n",
+    "        Args:\n",
+    "            X (pd.DataFrame, np.ndarray): data matrix to fit\n",
+    "            y (pd.DataFrame, np.ndarray): target matrix to fit\n",
+    "            estimator (Any): estimator instance to use for fitting\n",
+    "            mode (EarlyStoppingMode): early stopping mode, unused\n",
+    "            monitor (FitMonitor): monitor instance to track the fitting process, unused\n",
+    "            kwargs: additional keyword arguments for the fit function\n",
+    "\n",
+    "        Returns:\n",
+    "            (GzipKNNAlgorithm): fitted estimator instance\n",
+    "        \"\"\"\n",
+    "        # assert modeltask is one of the supported tasks\n",
+    "        assert self.task in [ModelTasks.SINGLECLASS,\n",
+    "                             ModelTasks.MULTICLASS], f\"Model task {self.task} is not supported by this model.\"\n",
+    "        # convert to numpy arrays\n",
+    "        estimator = self.estimator if estimator is None else estimator\n",
+    "        X, y = self.convertToNumpy(X, y)\n",
+    "        # set training set in estimator\n",
+    "        estimator.X_train = X.flatten()\n",
+    "        estimator.y_train = y.flatten()\n",
+    "        # return estimator\n",
+    "        return estimator\n",
+    "\n",
+    "    def predict(\n",
+    "            self,\n",
+    "            X: pd.DataFrame | np.ndarray | QSPRDataset,\n",
+    "            estimator: Any = None\n",
+    "    ) -> np.ndarray:\n",
+    "        \"\"\"Make predictions for the given data matrix or `QSPRDataset`.\n",
+    "\n",
+    "        Args:\n",
+    "            X (pd.DataFrame, np.ndarray, QSPRDataset): data matrix to predict\n",
+    "            estimator (Any): estimator instance to use for fitting\n",
+    "\n",
+    "        Returns:\n",
+    "            np.ndarray:\n",
+    "                2D array containing the predictions, where each row corresponds\n",
+    "                to a sample in the data and each column to a target property\n",
+    "        \"\"\"\n",
+    "        estimator = self.estimator if estimator is None else estimator\n",
+    "        X = self.convertToNumpy(X)\n",
+    "        preds, _ = estimator(X.flatten())\n",
+    "        return preds\n",
+    "\n",
+    "    def predictProba(\n",
+    "            self,\n",
+    "            X: pd.DataFrame | np.ndarray | QSPRDataset,\n",
+    "            estimator: Any = None\n",
+    "    ):\n",
+    "        \"\"\"See `QSPRModel.predictProba`.\"\"\"\n",
+    "        estimator = self.estimator if estimator is None else estimator\n",
+    "        X = self.convertToNumpy(X)\n",
+    "\n",
+    "        _, proba = estimator(X.flatten())\n",
+    "        return [proba]  # list of np.ndarray\n",
+    "\n",
+    "    def loadEstimator(self, params: Optional[dict] = None) -> object:\n",
+    "        \"\"\"Initialize estimator instance with the given parameters.\n",
+    "\n",
+    "        If `params` is `None`, the default parameters will be used.\n",
+    "\n",
+    "        Arguments:\n",
+    "            params (dict): algorithm parameters\n",
+    "\n",
+    "        Returns:\n",
+    "            object: initialized estimator instance\n",
+    "        \"\"\"\n",
+    "        new_parameters = self.getParameters(\n",
+    "            params)  # combine self.parameters and params\n",
+    "        if new_parameters is not None:\n",
+    "            return self.alg(**new_parameters)\n",
+    "        else:\n",
+    "            return self.alg()\n",
+    "\n",
+    "    def loadEstimatorFromFile(self, params: Optional[dict] = None,\n",
+    "                              fallback_load=True) -> object:\n",
+    "        \"\"\"Load estimator instance from file and apply the given parameters.\n",
+    "\n",
+    "        Args:\n",
+    "            params (dict): algorithm parameters\n",
+    "\n",
+    "        Returns:\n",
+    "            object: initialized estimator instance\n",
+    "        \"\"\"\n",
+    "        path = f\"{self.outPrefix}.json\"\n",
+    "        if os.path.isfile(path):\n",
+    "            with open(path, \"r\") as f:\n",
+    "                loaded_dict = json.load(f)\n",
+    "                X_train = np.array(loaded_dict[\"X_train\"]) if loaded_dict[\n",
+    "                                                                  \"X_train\"] is not None else None\n",
+    "                y_train = np.array(loaded_dict[\"y_train\"]) if loaded_dict[\n",
+    "                                                                  \"y_train\"] is not None else None\n",
+    "                loaded_params = loaded_dict[\"parameters\"]\n",
+    "            if params is not None:\n",
+    "                loaded_params.update(params)\n",
+    "\n",
+    "            estimator = self.loadEstimator(loaded_params)\n",
+    "            estimator.X_train = X_train\n",
+    "            estimator.y_train = y_train\n",
+    "        elif fallback_load:\n",
+    "            return self.loadEstimator(params)\n",
+    "        else:\n",
+    "            raise FileNotFoundError(\n",
+    "                f\"No estimator found at {path}, loading estimator from file failed.\"\n",
+    "            )\n",
+    "\n",
+    "    def saveEstimator(self) -> str:\n",
+    "        \"\"\"Save the underlying estimator to file.\n",
+    "\n",
+    "        Returns:\n",
+    "            path (str): path to the saved estimator\n",
+    "        \"\"\"\n",
+    "        estimator_path = f\"{self.outPrefix}.json\"\n",
+    "\n",
+    "        param_dictionary = {\"parameters\": {\"k\": self.estimator.k},\n",
+    "                            \"X_train\": self.estimator.X_train.tolist() if self.estimator.X_train is not None else None,\n",
+    "                            \"y_train\": self.estimator.y_train.tolist() if self.estimator.y_train is not None else None}\n",
+    "\n",
+    "        with open(estimator_path, \"w\") as outfile:\n",
+    "            json.dump(param_dictionary, outfile)\n",
+    "\n",
+    "        return estimator_path\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Try it out\n",
+    "\n",
+    "Now that we have added a new model, we can try it out on the dataset we used in the previous tutorial\n",
+    "and have a look at the performance."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import os\n",
+    "from qsprpred.data import RandomSplit\n",
+    "from qsprpred.data.descriptors.sets import SmilesDesc\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename='../../tutorial_data/A2A_LIGANDS.tsv',\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"CustomModelsTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"SINGLECLASS\", \"th\": [6.5]}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[SmilesDesc()],\n",
+    ")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import logging\n",
+    "\n",
+    "logging.basicConfig(level=logging.INFO,\n",
+    "                    force=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class '__main__.GzipKNNAlgorithm'> does not support it. Ignoring this setting.\n",
+      "WARNING:qsprpred:Random state supplied, but alg <class '__main__.GzipKNNAlgorithm'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "model = GzipKNNModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    name=\"CustomModelsTutorialModel\",\n",
+    "    autoload=False\n",
+    ")\n",
+    "\n",
+    "model.loadEstimatorFromFile()\n",
+    "\n",
+    "# hyperparameter optimization is commented out because it takes a long time, but you can uncomment it to try it out\n",
+    "# from qsprpred.models import GridSearchOptimization\n",
+    "# params = {'k': [3,5,8,10]}\n",
+    "# gridsearcher = GridSearchOptimization(model_assessor=CrossValAssessor(scoring = 'roc_auc'), param_grid=params)\n",
+    "# best_params = gridsearcher.optimize(model, dataset)\n",
+    "\n",
+    "CrossValAssessor(scoring='roc_auc')(model, dataset)\n",
+    "TestSetAssessor(scoring='roc_auc')(model, dataset)\n",
+    "_ = model.fitDataset(dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import ROCPlot\n",
+    "\n",
+    "plot = ROCPlot([model])\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"cv\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import ROCPlot\n",
+    "\n",
+    "plot = ROCPlot([model])\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"ind\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "CustomModelsTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Metric roc_auc_ovr not in summary dataframe, skipping\n",
+      "Metric roc_auc_ovo not in summary dataframe, skipping\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import MetricsPlot\n",
+    "\n",
+    "plot = MetricsPlot([model])\n",
+    "figs, summary = plot.make(save=True, show=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/deep_learning_models.ipynb b/tutorials/advanced/modelling/deep_learning_models.ipynb
new file mode 100644
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+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Deep learning models\n",
+    "In the other tutorials, all examples have used scikit-learn models. However,\n",
+    "QSPRpred also has a number of other deep-learning models build-in. These models rely on\n",
+    "torch, therefore you need to make sure to have torch or installed QSPPred with the `deep` (or `full`) option (see [README.txt](https://github.com/CDDLeiden/QSPRpred#readme)).\n",
+    "\n",
+    "First, we will load the dataset as usual."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DeepLearningTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>DeepLearningTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DeepLearningTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>DeepLearningTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DeepLearningTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>DeepLearningTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DeepLearningTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>DeepLearningTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DeepLearningTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>DeepLearningTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                             SMILES  \\\n",
+       "QSPRID                                                                                \n",
+       "DeepLearningTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "DeepLearningTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
+       "DeepLearningTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "DeepLearningTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "DeepLearningTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "\n",
+       "                                  pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                         \n",
+       "DeepLearningTutorialDataset_0000                8.68  2008.0   \n",
+       "DeepLearningTutorialDataset_0001                4.82  2010.0   \n",
+       "DeepLearningTutorialDataset_0002                5.65  2009.0   \n",
+       "DeepLearningTutorialDataset_0003                5.45  2009.0   \n",
+       "DeepLearningTutorialDataset_0004                5.20  2019.0   \n",
+       "\n",
+       "                                                            QSPRID  \\\n",
+       "QSPRID                                                               \n",
+       "DeepLearningTutorialDataset_0000  DeepLearningTutorialDataset_0000   \n",
+       "DeepLearningTutorialDataset_0001  DeepLearningTutorialDataset_0001   \n",
+       "DeepLearningTutorialDataset_0002  DeepLearningTutorialDataset_0002   \n",
+       "DeepLearningTutorialDataset_0003  DeepLearningTutorialDataset_0003   \n",
+       "DeepLearningTutorialDataset_0004  DeepLearningTutorialDataset_0004   \n",
+       "\n",
+       "                                  pchembl_value_Mean_original  \n",
+       "QSPRID                                                         \n",
+       "DeepLearningTutorialDataset_0000                         8.68  \n",
+       "DeepLearningTutorialDataset_0001                         4.82  \n",
+       "DeepLearningTutorialDataset_0002                         5.65  \n",
+       "DeepLearningTutorialDataset_0003                         5.45  \n",
+       "DeepLearningTutorialDataset_0004                         5.20  "
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset, RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "# Create dataset\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"DeepLearningTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Fully connected neural network\n",
+    "### Initialization\n",
+    "The first model we will look at is a fully connected neural network. This model uses the `DDNModel` class instead of the `SklearnModel` class. The `DDNModel` class accepts a `patience` argument, which is the number of epochs to wait before stopping training if the validation loss does not improve and a tolerance ( `tol`) argument, which is the minimum improvement in validation loss to be considered an improvement.\n",
+    "\n",
+    "Other parameters for the underlying estimator `STFullyConnected` can be passed to the `parameters` argument as usual.\n",
+    "There is no need to specify the `alg` argument, as currently only `STFullyConnected` is available."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'qsprpred.extra.gpu.models.neural_network.STFullyConnected'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Create model\n",
+    "from qsprpred.extra.gpu.models.dnn import DNNModel\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "model = DNNModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    name='DeepLearningTutorialModel',\n",
+    "    parameters={'n_epochs': 100},  # maximum number of epochs to train for\n",
+    "    patience=3,\n",
+    "    tol=0.01,\n",
+    "    random_state=42\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Early Stopping\n",
+    "The `DNNModel` supports early stopping of the training, which as mentioned can be controlled by the `patience` and the `tol` arguments. You can check if a model supports early stopping, by checking the `supportsEarlyStopping` attribute."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "True"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.supportsEarlyStopping"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The model can be trained as usual, but a part of the training set will be used as a validation set to determine wether to stop training. By default a random 10% of the training set is used as a validation set. This can be changed by setting the `split` argument of `QSPRModel.fit` to a different value, which can be any scikit-learn or QSPRPred `DataSplit`. See the [data splitting tutorial](../../basics/data/data_splitting.ipynb) for more information on the possibilities. Here, you can see how to change the validation split to a 20% random split."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([-1.58563831, -1.61295136, -1.75909456, -2.07876972, -1.38434467])"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import CrossValAssessor\n",
+    "\n",
+    "CrossValAssessor('r2')(model, dataset,\n",
+    "                       split=RandomSplit(test_fraction=0.2, dataset=dataset))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "If a model supports early stopping, it also has an `EarlyStopping` attribute which is an instance of the `EarlyStopping` class that keeps track of the number of epochs trained. The `EarlyStopping` class has a `mode` attribute that sets how early stopping should be handled when fitting the estimator. It can be one of four modes: `EarlyStoppingMode.RECORDING`, `EarlyStoppingMode.NOT_RECORDING`, `EarlyStoppingMode.OPTIMAL`, `EarlyStoppingMode.FIXED`. You can find [a schematic overview](####early-stopping-modes-overview) of the different modes below.\n",
+    "By default it is set to `EarlyStoppingMode.NOT_RECORDING`."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<EarlyStoppingMode.NOT_RECORDING: 'NOT_RECORDING'>"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.earlyStopping.mode"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "In this mode (`EarlyStoppingMode.NOT_RECORDING`), the `EarlyStopping` class will not keep track of at which epoch the training is stopped in a fit. In the `EarlyStoppingMode.RECORDING` mode the `EarlyStopping` class will keep track of the epoch on which the training was stopped. This can be accessed through the `EarlyStopping` class `trainedEpochs` attribute, which is a list of the epochs on which the training was stopped. You can see that for now it is just an empty list."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.earlyStopping.trainedEpochs"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "If we then run a cross-validation with the mode set to `EarlyStoppingMode.RECORDING`, we can see that the `trainedEpochs` attribute is now filled with the epochs on which the training was stopped for each fold."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[61, 51, 63, 34, 55]"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import EarlyStoppingMode\n",
+    "\n",
+    "CrossValAssessor('r2', mode=EarlyStoppingMode.RECORDING)(model, dataset)\n",
+    "model.earlyStopping.trainedEpochs"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Mind that the mode has now been changed to `EarlyStoppingMode.RECORDING`, therefore, if you run the cross-validation again, the `trainedEpochs` attribute will be appended with the epochs on which the training was stopped previously."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<EarlyStoppingMode.RECORDING: 'RECORDING'>"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.earlyStopping.mode"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[61, 51, 63, 34, 55, 63, 51, 62, 34, 56]"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "CrossValAssessor('r2')(model, dataset)\n",
+    "model.earlyStopping.trainedEpochs"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The `EarlyStopping` class has an attribute `optimalEpochs`, which is an aggregation of the `trainedEpochs` attribute, calculated by the `aggregateFunc`, which by default is the arithmetric mean. You can change the `aggregateFunc` by passing a function to the `aggregateFunc` argument of the `EarlyStopping` class. For example, if you want to use the median instead of the mean, you can pass the `np.median` function to the `aggregateFunc` argument."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<function numpy.mean(a, axis=None, dtype=None, out=None, keepdims=<no value>, *, where=<no value>)>"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.earlyStopping.aggregateFunc"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "53"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.earlyStopping.optimalEpochs"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "56"
+      ]
+     },
+     "execution_count": 12,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "\n",
+    "model.earlyStopping.aggregateFunc = np.median\n",
+    "model.earlyStopping.optimalEpochs"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "If we now fit the model with the `EarlyStoppingMode.OPTIMAL` mode, the estimator will be fitted for exactly `optimalEpochs`. This is the `EarlyStoppingMode` that is used by default for `QSPRModel.fitDataset`. This is done to avoid having to use a part of the dataset as validation set to determine the early stopping epoch in the final fit of the model. However, if you want to use a different mode, you can pass it to the `mode` argument of the `QSPRModel.fitDataset` method."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "_ = model.fitDataset(dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can also reset the recorded epochs with the `clean` function. If we then try to run fit attached with the `EarlyStoppingMode.OPTIMAL` mode, we get an error, because the `trainedEpochs` attribute is empty."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "[]\n",
+      "No number of epochs have been recorded yet, first run fit with early stopping mode set to RECORDING or set the optimal number of epochs manually.\n"
+     ]
+    }
+   ],
+   "source": [
+    "model.earlyStopping.clean()\n",
+    "print(model.earlyStopping.trainedEpochs)\n",
+    "try:\n",
+    "    model.fitDataset(dataset)\n",
+    "except ValueError as e:\n",
+    "    print(e)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Another option is to forgo early stopping and just train for a fixed number of epochs. This can be done by setting the `mode` argument to `EarlyStoppingMode.FIXED` and `QSPRModel.earlyStopping.numEpochs` argument to the number of epochs to train for.\n",
+    "Be aware, that if you `DNNModel` parameter `n_epochs` is set to a value smaller than `QSPRModel.earlyStopping.numEpochs`, the model will only be trained for `n_epochs` epochs, as this is the maximum number of epochs to train for.\n",
+    "In this example, we will train the model for 10 epochs."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "model.earlyStopping.numEpochs = 10\n",
+    "_ = model.fitDataset(dataset, mode=EarlyStoppingMode.FIXED)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "#### Early stopping modes overview\n",
+    "![EarlyStopping.png](../../figures/EarlyStopping.png)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Training\n",
+    "Below we will show a complete training of the DNN. First we run hyperparameter optimization to find the best parameters for the model. Here we will will use `EarlyStoppingMode.NOT_RECORDING` as the best epoch to stop training may depend on the hyper-parameters. Then we will apply cross-validation and test set evaluation to get an estimate of the performance of the model, with early stopping set to `EarlyStoppingMode.RECORDING`. Finally, we will use `QSPRModel.fitDataset` training for exactly the average number of epochs trained for in the cross-validation and the test set evaluation."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "[22, 20, 18, 19, 16, 18]\n",
+      "19\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import GridSearchOptimization, TestSetAssessor\n",
+    "\n",
+    "# Define the search space\n",
+    "search_space = {\"lr\": [1e-4, 1e-3, ], \"neurons_h1\": [100, 200]}\n",
+    "\n",
+    "gridsearcher = GridSearchOptimization(\n",
+    "    param_grid=search_space,\n",
+    "    model_assessor=TestSetAssessor(\n",
+    "        scoring='r2',\n",
+    "        mode=EarlyStoppingMode.NOT_RECORDING\n",
+    "    ),\n",
+    ")\n",
+    "gridsearcher.optimize(model, dataset)\n",
+    "\n",
+    "# Create a CrossValAssessor object\n",
+    "CrossValAssessor('r2', mode=EarlyStoppingMode.RECORDING)(model, dataset)\n",
+    "TestSetAssessor('r2', mode=EarlyStoppingMode.RECORDING)(model, dataset)\n",
+    "\n",
+    "model.earlyStopping.aggregateFunc = np.mean\n",
+    "print(\n",
+    "    model.earlyStopping.trainedEpochs)  # list of 6 values, one for each cross-validation fold and one for the test set\n",
+    "print(model.earlyStopping.optimalEpochs)  # average of the 6 values\n",
+    "\n",
+    "# fit the model on the whole dataset\n",
+    "_ = model.fitDataset(dataset, mode=EarlyStoppingMode.OPTIMAL)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/hyperparameter_optimization.ipynb b/tutorials/advanced/modelling/hyperparameter_optimization.ipynb
new file mode 100644
index 00000000..eecaf921
--- /dev/null
+++ b/tutorials/advanced/modelling/hyperparameter_optimization.ipynb
@@ -0,0 +1,406 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Hyperparameter Optimization\n",
+    "\n",
+    "In this tutorial we will give examples of how to use the hyperparameter optimization functionality of QSPRpred.\n",
+    "\n",
+    "QSPRpred has a base class `HyperparameterOptimization` which defines the basic functionality of hyperparameter optimization. \n",
+    "All subclasses of this class must implement the `optimize` method which takes a `QSPRModel` class as input and returns the best hyperparameters for the model. The optimization classes also require an `ModelAssessment` object as input which is used to assess the performance of the model, see the [model assessment tutorial](../../basics/modelling/model_assessment.ipynb) for more information.\n",
+    "As well as an score aggregation function to aggregate scores returned by the assessment classes into a single score (i.e. from different folds).\n",
+    "\n",
+    "There are currently two hyperparameter optimization classes implemented in QSPRpred, `GridSearchOptimization` and `OptunaOptimization`.\n",
+    "In this tutorial we will show you how to use both of these classes to optimize the hyperparameters of a `KNeighborsRegressor` model, but you can find their documentation [here](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.models.html#module-qsprpred.models.hyperparam_optimization).\n",
+    "\n",
+    "Let's first load the dataset and create the model to optimize."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>HyperparamOptTutorialTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>HyperparamOptTutorialTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                                      SMILES  \\\n",
+       "QSPRID                                                                                         \n",
+       "HyperparamOptTutorialTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "HyperparamOptTutorialTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "HyperparamOptTutorialTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "HyperparamOptTutorialTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "HyperparamOptTutorialTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                                      ...   \n",
+       "HyperparamOptTutorialTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "HyperparamOptTutorialTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "HyperparamOptTutorialTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "HyperparamOptTutorialTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "HyperparamOptTutorialTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                           pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                                  \n",
+       "HyperparamOptTutorialTutorialDataset_0000                8.68  2008.0   \n",
+       "HyperparamOptTutorialTutorialDataset_0001                4.82  2010.0   \n",
+       "HyperparamOptTutorialTutorialDataset_0002                5.65  2009.0   \n",
+       "HyperparamOptTutorialTutorialDataset_0003                5.45  2009.0   \n",
+       "HyperparamOptTutorialTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                                       ...     ...   \n",
+       "HyperparamOptTutorialTutorialDataset_4077                7.09  2018.0   \n",
+       "HyperparamOptTutorialTutorialDataset_4078                8.22  2008.0   \n",
+       "HyperparamOptTutorialTutorialDataset_4079                4.89  2010.0   \n",
+       "HyperparamOptTutorialTutorialDataset_4080                6.51  2013.0   \n",
+       "HyperparamOptTutorialTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                                              QSPRID  \\\n",
+       "QSPRID                                                                                 \n",
+       "HyperparamOptTutorialTutorialDataset_0000  HyperparamOptTutorialTutorialDataset_0000   \n",
+       "HyperparamOptTutorialTutorialDataset_0001  HyperparamOptTutorialTutorialDataset_0001   \n",
+       "HyperparamOptTutorialTutorialDataset_0002  HyperparamOptTutorialTutorialDataset_0002   \n",
+       "HyperparamOptTutorialTutorialDataset_0003  HyperparamOptTutorialTutorialDataset_0003   \n",
+       "HyperparamOptTutorialTutorialDataset_0004  HyperparamOptTutorialTutorialDataset_0004   \n",
+       "...                                                                              ...   \n",
+       "HyperparamOptTutorialTutorialDataset_4077  HyperparamOptTutorialTutorialDataset_4077   \n",
+       "HyperparamOptTutorialTutorialDataset_4078  HyperparamOptTutorialTutorialDataset_4078   \n",
+       "HyperparamOptTutorialTutorialDataset_4079  HyperparamOptTutorialTutorialDataset_4079   \n",
+       "HyperparamOptTutorialTutorialDataset_4080  HyperparamOptTutorialTutorialDataset_4080   \n",
+       "HyperparamOptTutorialTutorialDataset_4081  HyperparamOptTutorialTutorialDataset_4081   \n",
+       "\n",
+       "                                           pchembl_value_Mean_original  \n",
+       "QSPRID                                                                  \n",
+       "HyperparamOptTutorialTutorialDataset_0000                         8.68  \n",
+       "HyperparamOptTutorialTutorialDataset_0001                         4.82  \n",
+       "HyperparamOptTutorialTutorialDataset_0002                         5.65  \n",
+       "HyperparamOptTutorialTutorialDataset_0003                         5.45  \n",
+       "HyperparamOptTutorialTutorialDataset_0004                         5.20  \n",
+       "...                                                                ...  \n",
+       "HyperparamOptTutorialTutorialDataset_4077                         7.09  \n",
+       "HyperparamOptTutorialTutorialDataset_4078                         8.22  \n",
+       "HyperparamOptTutorialTutorialDataset_4079                         4.89  \n",
+       "HyperparamOptTutorialTutorialDataset_4080                         6.51  \n",
+       "HyperparamOptTutorialTutorialDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from IPython.display import display\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset, RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename='../../tutorial_data/A2A_LIGANDS.tsv',\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"HyperparamOptTutorialTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "display(dataset.getDF())\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()\n",
+    "\n",
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name='HyperparamOptTutorialModel',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Grid search\n",
+    "Grid search is a simple hyperparameter optimization method which simply tries all combinations of hyperparameters in a grid and returns the best combination. We will first specify the grid of hyperparameters to search over."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "{'n_neighbors': 5, 'weights': 'distance'}"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "from qsprpred.models import GridSearchOptimization, CrossValAssessor\n",
+    "\n",
+    "# Define the search space\n",
+    "search_space = {\"n_neighbors\": [3, 5], \"weights\": [\"uniform\", \"distance\"]}\n",
+    "\n",
+    "gridsearcher = GridSearchOptimization(\n",
+    "    param_grid=search_space,\n",
+    "    model_assessor=CrossValAssessor(scoring='r2'),\n",
+    "    score_aggregation=np.median\n",
+    ")\n",
+    "gridsearcher.optimize(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Optuna\n",
+    "In addition to the grid search, it is possible to use [Optuna](https://optuna.org/) to optimize the hyperparameters of a model. Optuna is a hyperparameter optimization framework which uses Bayesian optimization to find the best hyperparameters.\n",
+    "\n",
+    "Mainly, setting up the optimization is the same as for grid search, however, when specifiying the \n",
+    "search space we need to also specify the type of each hyperparameter. This is because Optuna needs to know how to sample the hyperparameters.\n",
+    "Aside from the search space, we also need to specify the number of trials to run, which is the number of different hyperparameter combinations to try. In this case, we will also use the `TestSetAssessor` to assess the performance of the model on the test set, to show the different ways of assessing the performance of the model in the optimization.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "[I 2024-02-07 09:52:10,249] A new study created in memory with name: no-name-f5bc3967-d7b6-40bc-b8e0-1b5d7f7e48ce\n",
+      "[I 2024-02-07 09:52:10,391] Trial 0 finished with value: 0.6314076647146836 and parameters: {'n_neighbors': 4, 'weights': 'uniform'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:10,530] Trial 1 finished with value: 0.6244271327283943 and parameters: {'n_neighbors': 6, 'weights': 'uniform'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:10,662] Trial 2 finished with value: 0.486307378093249 and parameters: {'n_neighbors': 1, 'weights': 'uniform'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:10,808] Trial 3 finished with value: 0.6297875073289022 and parameters: {'n_neighbors': 8, 'weights': 'distance'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:10,948] Trial 4 finished with value: 0.6158780548550493 and parameters: {'n_neighbors': 9, 'weights': 'uniform'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:11,073] Trial 5 finished with value: 0.5942176906581796 and parameters: {'n_neighbors': 2, 'weights': 'distance'}. Best is trial 0 with value: 0.6314076647146836.\n",
+      "[I 2024-02-07 09:52:11,212] Trial 6 finished with value: 0.637380168234392 and parameters: {'n_neighbors': 5, 'weights': 'distance'}. Best is trial 6 with value: 0.637380168234392.\n",
+      "[I 2024-02-07 09:52:11,349] Trial 7 finished with value: 0.5942176906581796 and parameters: {'n_neighbors': 2, 'weights': 'distance'}. Best is trial 6 with value: 0.637380168234392.\n",
+      "[I 2024-02-07 09:52:11,506] Trial 8 finished with value: 0.6306764992899814 and parameters: {'n_neighbors': 5, 'weights': 'uniform'}. Best is trial 6 with value: 0.637380168234392.\n",
+      "[I 2024-02-07 09:52:11,659] Trial 9 finished with value: 0.6244271327283943 and parameters: {'n_neighbors': 6, 'weights': 'uniform'}. Best is trial 6 with value: 0.637380168234392.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "{'n_neighbors': 5, 'weights': 'distance'}"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import OptunaOptimization, TestSetAssessor\n",
+    "\n",
+    "# Note the specification of the hyperparameter types as first item in the list\n",
+    "search_space = {\"n_neighbors\": [\"int\", 1, 10],\n",
+    "                \"weights\": [\"categorical\", [\"uniform\", \"distance\"]]}\n",
+    "\n",
+    "# Optuna gridsearcher with the TestSetAssessor\n",
+    "gridsearcher = OptunaOptimization(\n",
+    "    n_trials=10,\n",
+    "    param_grid=search_space,\n",
+    "    model_assessor=TestSetAssessor(scoring='r2'),\n",
+    ")\n",
+    "gridsearcher.optimize(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After hyperparameter optimization the best hyperparameters are set to the model and all subsequent fits will use these parameters unless specified otherwise. Furthermore, the best parameters are saved to a json file in the model output directory with the suffix `_params.json` and will be loaded automatically when the model is loaded."
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/monitoring.ipynb b/tutorials/advanced/modelling/monitoring.ipynb
new file mode 100644
index 00000000..98477c9d
--- /dev/null
+++ b/tutorials/advanced/modelling/monitoring.ipynb
@@ -0,0 +1,846 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Model training monitoring\n",
+    "In this tutorial, we will focus on how to monitor the QSPRpred model training process.\n",
+    "The main goal of this tutorial is to show how to use the `monitoring` module to monitor the model training process.\n",
+    "The training steps themselves are not the focus of this tutorial, if you want to learn more about the training process, please refer to the [model assessment](../../basics/modelling/model_assessment.ipynb) tutorial or the [hyperparameter optimization](hyperparameter_optimization.ipynb) tutorial.\n",
+    "\n",
+    "We will start by loading in the data and model we want to monitor.\n",
+    "In this tutorial, we will use a fully connected neural network model, to also show the monitoring of the fitting process, which is not relevant for K-Nearest Neighbors models used in the other tutorials. If you want to know more about the neural net, please refer to the [deep learning models](deep_learning_models.ipynb) tutorial."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from IPython.display import display\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset, RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "# Create dataset\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"MonitoringTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()\n",
+    "\n",
+    "# Create model\n",
+    "from qsprpred.extra.gpu.models.dnn import DNNModel\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "model = DNNModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    name='MonitoringTutorialModel',\n",
+    "    patience=3,\n",
+    "    tol=0.01,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Basic setup"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Monitors are used to track the training progress in addition to the files with predictions that are generated by default. Instances of the `Monitor` class can be passed to `HyperparameterOptimization` and `ModelAssessment` classes as well as the fit function of a `QSPRModel` to monitor the training process.\n",
+    "\n",
+    "By default, a `BaseMonitor` is used. This monitor tracks the training progress by keeping track of predictions, metric values and loss internallly.\n",
+    "\n",
+    "The `BaseMonitor` passed to a `CrossValAssessor` will hold the trainings and test sets for each fold,\n",
+    "as well as the generated predictions and in case of fitting a neural network, the loss and metric values for each epoch.\n",
+    "If a `BaseMonitor` is passed to a `HyperparameterOptimization` object, it will contain all the previously mentioned values for each hyperparameter combination as well as the scores for each hyperparameter combination.\n",
+    "Here we will show how you can access these values.\n",
+    "\n",
+    "In this example we will show the scores of the hyperparameter combinations for a neural network model grid search,\n",
+    "and the predictions of the folds of the cross-validation."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'qsprpred.extra.gpu.models.neural_network.STFullyConnected'> does not support it. Ignoring this setting.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>aggregated_score</th>\n",
+       "      <th>fold_scores</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>Iteration</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>-1.652565</td>\n",
+       "      <td>[-1.6525652398602855]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>-0.836898</td>\n",
+       "      <td>[-0.8368975522437034]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>0.459826</td>\n",
+       "      <td>[0.4598257556451889]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>0.469684</td>\n",
+       "      <td>[0.469683527334269]</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "           aggregated_score            fold_scores\n",
+       "Iteration                                         \n",
+       "0                 -1.652565  [-1.6525652398602855]\n",
+       "1                 -0.836898  [-0.8368975522437034]\n",
+       "2                  0.459826   [0.4598257556451889]\n",
+       "3                  0.469684    [0.469683527334269]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>pchembl_value_Mean_Label</th>\n",
+       "      <th>pchembl_value_Mean_Prediction</th>\n",
+       "      <th>Fold</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_0221</th>\n",
+       "      <td>7.20</td>\n",
+       "      <td>6.886100</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3260</th>\n",
+       "      <td>6.02</td>\n",
+       "      <td>5.978072</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3675</th>\n",
+       "      <td>8.32</td>\n",
+       "      <td>8.597543</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3330</th>\n",
+       "      <td>8.02</td>\n",
+       "      <td>6.919986</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3484</th>\n",
+       "      <td>6.77</td>\n",
+       "      <td>7.532026</td>\n",
+       "      <td>0.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                pchembl_value_Mean_Label  \\\n",
+       "QSPRID                                                     \n",
+       "MonitoringTutorialDataset_0221                      7.20   \n",
+       "MonitoringTutorialDataset_3260                      6.02   \n",
+       "MonitoringTutorialDataset_3675                      8.32   \n",
+       "MonitoringTutorialDataset_3330                      8.02   \n",
+       "MonitoringTutorialDataset_3484                      6.77   \n",
+       "\n",
+       "                                pchembl_value_Mean_Prediction  Fold  \n",
+       "QSPRID                                                               \n",
+       "MonitoringTutorialDataset_0221                       6.886100   0.0  \n",
+       "MonitoringTutorialDataset_3260                       5.978072   0.0  \n",
+       "MonitoringTutorialDataset_3675                       8.597543   0.0  \n",
+       "MonitoringTutorialDataset_3330                       6.919986   0.0  \n",
+       "MonitoringTutorialDataset_3484                       7.532026   0.0  "
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import GridSearchOptimization\n",
+    "from qsprpred.models import TestSetAssessor, CrossValAssessor\n",
+    "\n",
+    "# Define the search space\n",
+    "search_space = {\"lr\": [1e-4, 1e-3, ], \"neurons_h1\": [100, 200]}\n",
+    "\n",
+    "gridsearcher = GridSearchOptimization(\n",
+    "    param_grid=search_space,\n",
+    "    model_assessor=TestSetAssessor(scoring='r2')\n",
+    ")\n",
+    "gridsearcher.optimize(model, dataset)\n",
+    "\n",
+    "# show grid search results\n",
+    "display(gridsearcher.monitor.scores.head())\n",
+    "\n",
+    "# Create a CrossValAssessor object\n",
+    "assessor = CrossValAssessor('r2')\n",
+    "assessor(model, dataset)\n",
+    "\n",
+    "# show cross validation results\n",
+    "display(assessor.monitor.predictions.head())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Or show the training and test set for the first fold:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>MorganFP_0</th>\n",
+       "      <th>MorganFP_1</th>\n",
+       "      <th>MorganFP_2</th>\n",
+       "      <th>MorganFP_3</th>\n",
+       "      <th>MorganFP_4</th>\n",
+       "      <th>MorganFP_5</th>\n",
+       "      <th>MorganFP_6</th>\n",
+       "      <th>MorganFP_7</th>\n",
+       "      <th>MorganFP_8</th>\n",
+       "      <th>MorganFP_9</th>\n",
+       "      <th>...</th>\n",
+       "      <th>MorganFP_2038</th>\n",
+       "      <th>MorganFP_2039</th>\n",
+       "      <th>MorganFP_2040</th>\n",
+       "      <th>MorganFP_2041</th>\n",
+       "      <th>MorganFP_2042</th>\n",
+       "      <th>MorganFP_2043</th>\n",
+       "      <th>MorganFP_2044</th>\n",
+       "      <th>MorganFP_2045</th>\n",
+       "      <th>MorganFP_2046</th>\n",
+       "      <th>MorganFP_2047</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3644</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_2459</th>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_1315</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_1017</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_0088</th>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 2048 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                MorganFP_0  MorganFP_1  MorganFP_2  \\\n",
+       "QSPRID                                                               \n",
+       "MonitoringTutorialDataset_3644       False       False       False   \n",
+       "MonitoringTutorialDataset_2459       False        True       False   \n",
+       "MonitoringTutorialDataset_1315       False       False        True   \n",
+       "MonitoringTutorialDataset_1017       False       False       False   \n",
+       "MonitoringTutorialDataset_0088       False        True       False   \n",
+       "\n",
+       "                                MorganFP_3  MorganFP_4  MorganFP_5  \\\n",
+       "QSPRID                                                               \n",
+       "MonitoringTutorialDataset_3644       False       False       False   \n",
+       "MonitoringTutorialDataset_2459       False       False       False   \n",
+       "MonitoringTutorialDataset_1315       False       False       False   \n",
+       "MonitoringTutorialDataset_1017       False       False       False   \n",
+       "MonitoringTutorialDataset_0088       False       False       False   \n",
+       "\n",
+       "                                MorganFP_6  MorganFP_7  MorganFP_8  \\\n",
+       "QSPRID                                                               \n",
+       "MonitoringTutorialDataset_3644       False       False        True   \n",
+       "MonitoringTutorialDataset_2459       False       False       False   \n",
+       "MonitoringTutorialDataset_1315       False       False       False   \n",
+       "MonitoringTutorialDataset_1017       False       False       False   \n",
+       "MonitoringTutorialDataset_0088       False        True       False   \n",
+       "\n",
+       "                                MorganFP_9  ...  MorganFP_2038  MorganFP_2039  \\\n",
+       "QSPRID                                      ...                                 \n",
+       "MonitoringTutorialDataset_3644       False  ...          False          False   \n",
+       "MonitoringTutorialDataset_2459       False  ...          False          False   \n",
+       "MonitoringTutorialDataset_1315       False  ...           True          False   \n",
+       "MonitoringTutorialDataset_1017       False  ...           True          False   \n",
+       "MonitoringTutorialDataset_0088       False  ...          False          False   \n",
+       "\n",
+       "                                MorganFP_2040  MorganFP_2041  MorganFP_2042  \\\n",
+       "QSPRID                                                                        \n",
+       "MonitoringTutorialDataset_3644          False          False          False   \n",
+       "MonitoringTutorialDataset_2459          False          False          False   \n",
+       "MonitoringTutorialDataset_1315          False          False          False   \n",
+       "MonitoringTutorialDataset_1017          False          False           True   \n",
+       "MonitoringTutorialDataset_0088          False          False          False   \n",
+       "\n",
+       "                                MorganFP_2043  MorganFP_2044  MorganFP_2045  \\\n",
+       "QSPRID                                                                        \n",
+       "MonitoringTutorialDataset_3644          False          False          False   \n",
+       "MonitoringTutorialDataset_2459          False          False          False   \n",
+       "MonitoringTutorialDataset_1315          False          False          False   \n",
+       "MonitoringTutorialDataset_1017          False          False          False   \n",
+       "MonitoringTutorialDataset_0088          False          False          False   \n",
+       "\n",
+       "                                MorganFP_2046  MorganFP_2047  \n",
+       "QSPRID                                                        \n",
+       "MonitoringTutorialDataset_3644          False          False  \n",
+       "MonitoringTutorialDataset_2459          False          False  \n",
+       "MonitoringTutorialDataset_1315          False          False  \n",
+       "MonitoringTutorialDataset_1017          False          False  \n",
+       "MonitoringTutorialDataset_0088          False          False  \n",
+       "\n",
+       "[5 rows x 2048 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_3644</th>\n",
+       "      <td>8.07</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_2459</th>\n",
+       "      <td>4.80</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_1315</th>\n",
+       "      <td>5.50</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_1017</th>\n",
+       "      <td>6.44</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MonitoringTutorialDataset_0088</th>\n",
+       "      <td>7.66</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                pchembl_value_Mean\n",
+       "QSPRID                                            \n",
+       "MonitoringTutorialDataset_3644                8.07\n",
+       "MonitoringTutorialDataset_2459                4.80\n",
+       "MonitoringTutorialDataset_1315                5.50\n",
+       "MonitoringTutorialDataset_1017                6.44\n",
+       "MonitoringTutorialDataset_0088                7.66"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "display(assessor.monitor.foldData[0][\"X_train\"].head())\n",
+    "display(assessor.monitor.foldData[0][\"y_train\"].head())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You can also access the best parameters and scores of the hyperparameter optimization easily:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "best parameter values: {'lr': 0.001, 'neurons_h1': 200}\n",
+      "best score: 0.469683527334269\n"
+     ]
+    }
+   ],
+   "source": [
+    "print(f\"best parameter values: {gridsearcher.monitor.bestParameters}\")\n",
+    "print(f\"best score: {gridsearcher.monitor.bestScore}\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "As well as individual fits:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import seaborn as sns\n",
+    "\n",
+    "for assessment in gridsearcher.monitor.assessments.values():\n",
+    "    sns.lineplot(assessment[\"fits\"][0][\"fitLog\"], x=\"epoch\", y=\"val_loss\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## File monitoring\n",
+    "\n",
+    "In addition to the base monitoring, the `FileMonitor` can be used to save the predictions, metrics and loss to files.\n",
+    "Results will automatically be saved to the model directory.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.models import FileMonitor\n",
+    "from qsprpred.models import EarlyStoppingMode\n",
+    "\n",
+    "# Define the search space\n",
+    "search_space = {\"lr\": [1e-4, 1e-3, ], \"neurons_h1\": [100, 200]}\n",
+    "\n",
+    "gridsearcher = GridSearchOptimization(\n",
+    "    param_grid=search_space,\n",
+    "    model_assessor=TestSetAssessor(scoring='r2'),\n",
+    "    monitor=FileMonitor()\n",
+    ")\n",
+    "gridsearcher.optimize(model, dataset)\n",
+    "\n",
+    "# Create a CrossValAssessor object\n",
+    "CrossValAssessor('r2', mode=EarlyStoppingMode.RECORDING)(model, dataset,\n",
+    "                                                         monitor=FileMonitor())\n",
+    "TestSetAssessor('r2')(model, dataset, monitor=FileMonitor())\n",
+    "\n",
+    "# fit the model on the whole dataset\n",
+    "_ = model.fitDataset(dataset, monitor=FileMonitor())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can for example load the hyperparameter optimization results from the file and visualize them:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<Axes: xlabel='None', ylabel='aggregated_score'>"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "import seaborn as sns\n",
+    "\n",
+    "hyperparamopt_scores = pd.read_csv(\n",
+    "    f\"{model.outDir}/GridSearchOptimization/GridSearchOptimization_scores.tsv\",\n",
+    "    sep=\"\\t\").head()\n",
+    "sns.lineplot(y=\"aggregated_score\", data=hyperparamopt_scores,\n",
+    "             x=hyperparamopt_scores.index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Weights & Biases monitoring\n",
+    "\n",
+    "Furthermore, the `WandbMonitor` can be used to track the training progress on the [Weights & Biases platform](https://wandb.ai).\n",
+    "\n",
+    "If you want to use the `WandbMonitor`, you first need to install the `wandb` package and create a free account.\n",
+    "When you run the `WandbMonitor` for the first time, you will be asked to login to your account."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "wandb is not installed, make sure to install it to run this part of the tutorial.\n"
+     ]
+    }
+   ],
+   "source": [
+    "# check if WandB is installed and only run then\n",
+    "try:\n",
+    "    from qsprpred.models import GridSearchOptimization\n",
+    "    from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "    from qsprpred.models import WandBMonitor\n",
+    "    from qsprpred.models import EarlyStoppingMode\n",
+    "\n",
+    "    os.environ[\"WANDB_SILENT\"] = \"true\"\n",
+    "\n",
+    "    # Define the search space\n",
+    "    search_space = {\"lr\": [1e-4, 1e-3, ], \"neurons_h1\": [100, 200]}\n",
+    "\n",
+    "    gridsearcher = GridSearchOptimization(\n",
+    "        param_grid=search_space,\n",
+    "        model_assessor=TestSetAssessor('r2'),\n",
+    "        monitor=WandBMonitor(project_name=\"tutorial\")\n",
+    "    )\n",
+    "    gridsearcher.optimize(model, dataset)\n",
+    "\n",
+    "    # Create a CrossValAssessor object\n",
+    "    CrossValAssessor('r2', mode=EarlyStoppingMode.RECORDING)(model, dataset,\n",
+    "                                                             monitor=WandBMonitor(\n",
+    "                                                                 project_name=\"tutorial\"))\n",
+    "    TestSetAssessor('r2')(model, dataset, monitor=WandBMonitor(project_name=\"tutorial\"))\n",
+    "\n",
+    "    # fit the model on the whole dataset\n",
+    "    model.fitDataset(dataset, monitor=WandBMonitor(project_name=\"tutorial\"))\n",
+    "\n",
+    "except ImportError:\n",
+    "    print(\n",
+    "        \"wandb is not installed, make sure to install it to run this part of the tutorial.\")\n"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/advanced/modelling/multi_task_modelling.ipynb b/tutorials/advanced/modelling/multi_task_modelling.ipynb
new file mode 100644
index 00000000..23e95e8f
--- /dev/null
+++ b/tutorials/advanced/modelling/multi_task_modelling.ipynb
@@ -0,0 +1,1148 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Multi-task Modelling\n",
+    "\n",
+    "In this tutorial, we will show how to train a multi-task model with QSPRpred that predicts affinity for the four human adenosine receptors (A1, A2A, A2B, A3).\n",
+    "\n",
+    "Here we will load the `AR_LIGANDS.tsv` file that contains the ligands for the four receptors. \n",
+    "However, the activities are all in the same column, so we will need to split them into four columns, one for each receptor."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/tmp/ipykernel_417113/4136110674.py:3: DeprecationWarning: \n",
+      "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n",
+      "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n",
+      "but was not found to be installed on your system.\n",
+      "If this would cause problems for you,\n",
+      "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n",
+      "        \n",
+      "  import pandas as pd\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
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+       "\n",
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+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>accession</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>6.68</td>\n",
+       "      <td>P30542</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>7.15</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>P29274</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                              SMILES  pchembl_value_Mean  \\\n",
+       "0  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...                8.68   \n",
+       "1  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...                6.68   \n",
+       "2  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...                4.82   \n",
+       "3   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1                7.15   \n",
+       "4   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1                5.65   \n",
+       "\n",
+       "  accession  \n",
+       "0    P29274  \n",
+       "1    P30542  \n",
+       "2    P29274  \n",
+       "3    P0DMS8  \n",
+       "4    P29274  "
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>P0DMS8</th>\n",
+       "      <th>P29274</th>\n",
+       "      <th>P29275</th>\n",
+       "      <th>P30542</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>Brc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>6.61</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>C#CCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)C...</td>\n",
+       "      <td>7.63</td>\n",
+       "      <td>5.36</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>C#CCCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)...</td>\n",
+       "      <td>7.53</td>\n",
+       "      <td>5.15</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n...</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>7.12</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>5.96</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.89</td>\n",
+       "      <td>6.32</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                              SMILES  P0DMS8  P29274  P29275  \\\n",
+       "0                Brc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1    5.89    6.61     NaN   \n",
+       "1  C#CCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)C...    7.63    5.36     NaN   \n",
+       "2  C#CCCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)...    7.53    5.15     NaN   \n",
+       "3  C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n...    5.89    7.12     NaN   \n",
+       "4     C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12    7.89    6.32     NaN   \n",
+       "\n",
+       "   P30542  \n",
+       "0     NaN  \n",
+       "1     NaN  \n",
+       "2     NaN  \n",
+       "3    5.96  \n",
+       "4     NaN  "
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "import pandas as pd\n",
+    "\n",
+    "# load the data\n",
+    "df = pd.read_csv('../../tutorial_data/AR_LIGANDS.tsv', sep='\\t')\n",
+    "\n",
+    "display(df.head())\n",
+    "\n",
+    "# pivot the dataframe to have the accession as columns\n",
+    "df = df.pivot(index=\"SMILES\", columns=\"accession\", values=\"pchembl_value_Mean\")\n",
+    "df.columns.name = None\n",
+    "df.reset_index(inplace=True)\n",
+    "\n",
+    "display(df.head())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now that we have our data in the right format, we can create the multi-task `QSPRDataset`.\n",
+    "The main difference here is the specification of multi-task, which is done by having a list of target properties instead of a single one.\n",
+    "Note, that we specify each property here as a regression task, which makes this model a multi-task regression model. It is also possible to specify all classification tasks or a mix of classification and regression tasks. However, there are currently no build-in models that support mixed tasks. See the [custom model tutorial](custom_model.ipynb) for more information on how to implement a custom model.\n",
+    "\n",
+    "Furthermore, as you may have noticed, there are a lot of missing values in the data. Therefore, we will use a mean imputation from scikit-learn here, to fill in the missing values."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
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+       "  <thead>\n",
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+       "      <th>P0DMS8</th>\n",
+       "      <th>P29274</th>\n",
+       "      <th>P29275</th>\n",
+       "      <th>P30542</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>P0DMS8_original</th>\n",
+       "      <th>P0DMS8_before_impute</th>\n",
+       "      <th>P29274_original</th>\n",
+       "      <th>P29274_before_impute</th>\n",
+       "      <th>P29275_original</th>\n",
+       "      <th>P29275_before_impute</th>\n",
+       "      <th>P30542_original</th>\n",
+       "      <th>P30542_before_impute</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_0000</th>\n",
+       "      <td>Brc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>6.610000</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_0000</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>6.61</td>\n",
+       "      <td>6.61</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_0001</th>\n",
+       "      <td>C#CCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)C...</td>\n",
+       "      <td>7.63</td>\n",
+       "      <td>5.360000</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_0001</td>\n",
+       "      <td>7.63</td>\n",
+       "      <td>7.63</td>\n",
+       "      <td>5.36</td>\n",
+       "      <td>5.36</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_0002</th>\n",
+       "      <td>C#CCCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)...</td>\n",
+       "      <td>7.53</td>\n",
+       "      <td>5.150000</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_0002</td>\n",
+       "      <td>7.53</td>\n",
+       "      <td>7.53</td>\n",
+       "      <td>5.15</td>\n",
+       "      <td>5.15</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_0003</th>\n",
+       "      <td>C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n...</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>7.120000</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>5.960000</td>\n",
+       "      <td>MultiTaskTutorialDataset_0003</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>5.89</td>\n",
+       "      <td>7.12</td>\n",
+       "      <td>7.12</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>5.96</td>\n",
+       "      <td>5.96</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_0004</th>\n",
+       "      <td>C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.89</td>\n",
+       "      <td>6.320000</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_0004</td>\n",
+       "      <td>7.89</td>\n",
+       "      <td>7.89</td>\n",
+       "      <td>6.32</td>\n",
+       "      <td>6.32</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_6792</th>\n",
+       "      <td>c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCC2)[nH]1</td>\n",
+       "      <td>5.74</td>\n",
+       "      <td>6.894782</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_6792</td>\n",
+       "      <td>5.74</td>\n",
+       "      <td>5.74</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_6793</th>\n",
+       "      <td>c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCC2)[nH]1</td>\n",
+       "      <td>5.86</td>\n",
+       "      <td>6.894782</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_6793</td>\n",
+       "      <td>5.86</td>\n",
+       "      <td>5.86</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_6794</th>\n",
+       "      <td>c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCC2)[nH]1</td>\n",
+       "      <td>6.18</td>\n",
+       "      <td>6.894782</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_6794</td>\n",
+       "      <td>6.18</td>\n",
+       "      <td>6.18</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_6795</th>\n",
+       "      <td>c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCC2)[nH]1</td>\n",
+       "      <td>6.38</td>\n",
+       "      <td>6.894782</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_6795</td>\n",
+       "      <td>6.38</td>\n",
+       "      <td>6.38</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>MultiTaskTutorialDataset_6796</th>\n",
+       "      <td>c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCCC2)[...</td>\n",
+       "      <td>5.56</td>\n",
+       "      <td>6.894782</td>\n",
+       "      <td>7.077226</td>\n",
+       "      <td>6.610345</td>\n",
+       "      <td>MultiTaskTutorialDataset_6796</td>\n",
+       "      <td>5.56</td>\n",
+       "      <td>5.56</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>NaN</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>6797 rows × 14 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                          SMILES  \\\n",
+       "QSPRID                                                                             \n",
+       "MultiTaskTutorialDataset_0000                Brc1cc(Nc2nc3c(ncnc3N3CCCC3)s2)ccc1   \n",
+       "MultiTaskTutorialDataset_0001  C#CCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)C...   \n",
+       "MultiTaskTutorialDataset_0002  C#CCCCCC#Cc1nc(NCc2cc(Cl)ccc2)c2ncn(C3C(O)C(O)...   \n",
+       "MultiTaskTutorialDataset_0003  C#CCCCCC(=O)NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n...   \n",
+       "MultiTaskTutorialDataset_0004     C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12   \n",
+       "...                                                                          ...   \n",
+       "MultiTaskTutorialDataset_6792     c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCC2)[nH]1   \n",
+       "MultiTaskTutorialDataset_6793    c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCC2)[nH]1   \n",
+       "MultiTaskTutorialDataset_6794   c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCC2)[nH]1   \n",
+       "MultiTaskTutorialDataset_6795  c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCC2)[nH]1   \n",
+       "MultiTaskTutorialDataset_6796  c1nc2c(nc(Nc3ccc(N4CCOCC4)cc3)nc2NC2CCCCCCC2)[...   \n",
+       "\n",
+       "                               P0DMS8    P29274    P29275    P30542  \\\n",
+       "QSPRID                                                                \n",
+       "MultiTaskTutorialDataset_0000    5.89  6.610000  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_0001    7.63  5.360000  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_0002    7.53  5.150000  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_0003    5.89  7.120000  7.077226  5.960000   \n",
+       "MultiTaskTutorialDataset_0004    7.89  6.320000  7.077226  6.610345   \n",
+       "...                               ...       ...       ...       ...   \n",
+       "MultiTaskTutorialDataset_6792    5.74  6.894782  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_6793    5.86  6.894782  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_6794    6.18  6.894782  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_6795    6.38  6.894782  7.077226  6.610345   \n",
+       "MultiTaskTutorialDataset_6796    5.56  6.894782  7.077226  6.610345   \n",
+       "\n",
+       "                                                      QSPRID  P0DMS8_original  \\\n",
+       "QSPRID                                                                          \n",
+       "MultiTaskTutorialDataset_0000  MultiTaskTutorialDataset_0000             5.89   \n",
+       "MultiTaskTutorialDataset_0001  MultiTaskTutorialDataset_0001             7.63   \n",
+       "MultiTaskTutorialDataset_0002  MultiTaskTutorialDataset_0002             7.53   \n",
+       "MultiTaskTutorialDataset_0003  MultiTaskTutorialDataset_0003             5.89   \n",
+       "MultiTaskTutorialDataset_0004  MultiTaskTutorialDataset_0004             7.89   \n",
+       "...                                                      ...              ...   \n",
+       "MultiTaskTutorialDataset_6792  MultiTaskTutorialDataset_6792             5.74   \n",
+       "MultiTaskTutorialDataset_6793  MultiTaskTutorialDataset_6793             5.86   \n",
+       "MultiTaskTutorialDataset_6794  MultiTaskTutorialDataset_6794             6.18   \n",
+       "MultiTaskTutorialDataset_6795  MultiTaskTutorialDataset_6795             6.38   \n",
+       "MultiTaskTutorialDataset_6796  MultiTaskTutorialDataset_6796             5.56   \n",
+       "\n",
+       "                               P0DMS8_before_impute  P29274_original  \\\n",
+       "QSPRID                                                                 \n",
+       "MultiTaskTutorialDataset_0000                  5.89             6.61   \n",
+       "MultiTaskTutorialDataset_0001                  7.63             5.36   \n",
+       "MultiTaskTutorialDataset_0002                  7.53             5.15   \n",
+       "MultiTaskTutorialDataset_0003                  5.89             7.12   \n",
+       "MultiTaskTutorialDataset_0004                  7.89             6.32   \n",
+       "...                                             ...              ...   \n",
+       "MultiTaskTutorialDataset_6792                  5.74              NaN   \n",
+       "MultiTaskTutorialDataset_6793                  5.86              NaN   \n",
+       "MultiTaskTutorialDataset_6794                  6.18              NaN   \n",
+       "MultiTaskTutorialDataset_6795                  6.38              NaN   \n",
+       "MultiTaskTutorialDataset_6796                  5.56              NaN   \n",
+       "\n",
+       "                               P29274_before_impute  P29275_original  \\\n",
+       "QSPRID                                                                 \n",
+       "MultiTaskTutorialDataset_0000                  6.61              NaN   \n",
+       "MultiTaskTutorialDataset_0001                  5.36              NaN   \n",
+       "MultiTaskTutorialDataset_0002                  5.15              NaN   \n",
+       "MultiTaskTutorialDataset_0003                  7.12              NaN   \n",
+       "MultiTaskTutorialDataset_0004                  6.32              NaN   \n",
+       "...                                             ...              ...   \n",
+       "MultiTaskTutorialDataset_6792                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6793                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6794                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6795                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6796                   NaN              NaN   \n",
+       "\n",
+       "                               P29275_before_impute  P30542_original  \\\n",
+       "QSPRID                                                                 \n",
+       "MultiTaskTutorialDataset_0000                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_0001                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_0002                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_0003                   NaN             5.96   \n",
+       "MultiTaskTutorialDataset_0004                   NaN              NaN   \n",
+       "...                                             ...              ...   \n",
+       "MultiTaskTutorialDataset_6792                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6793                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6794                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6795                   NaN              NaN   \n",
+       "MultiTaskTutorialDataset_6796                   NaN              NaN   \n",
+       "\n",
+       "                               P30542_before_impute  \n",
+       "QSPRID                                               \n",
+       "MultiTaskTutorialDataset_0000                   NaN  \n",
+       "MultiTaskTutorialDataset_0001                   NaN  \n",
+       "MultiTaskTutorialDataset_0002                   NaN  \n",
+       "MultiTaskTutorialDataset_0003                  5.96  \n",
+       "MultiTaskTutorialDataset_0004                   NaN  \n",
+       "...                                             ...  \n",
+       "MultiTaskTutorialDataset_6792                   NaN  \n",
+       "MultiTaskTutorialDataset_6793                   NaN  \n",
+       "MultiTaskTutorialDataset_6794                   NaN  \n",
+       "MultiTaskTutorialDataset_6795                   NaN  \n",
+       "MultiTaskTutorialDataset_6796                   NaN  \n",
+       "\n",
+       "[6797 rows x 14 columns]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import QSPRDataset\n",
+    "from sklearn.impute import SimpleImputer\n",
+    "\n",
+    "target_props = [\n",
+    "    {\"name\": \"P0DMS8\", \"task\": \"REGRESSION\", \"imputer\": SimpleImputer(strategy=\"mean\")},\n",
+    "    {\"name\": \"P29274\", \"task\": \"REGRESSION\", \"imputer\": SimpleImputer(strategy=\"mean\")},\n",
+    "    {\"name\": \"P29275\", \"task\": \"REGRESSION\", \"imputer\": SimpleImputer(strategy=\"mean\")},\n",
+    "    {\"name\": \"P30542\", \"task\": \"REGRESSION\", \"imputer\": SimpleImputer(strategy=\"mean\")}]\n",
+    "\n",
+    "dataset = QSPRDataset(\n",
+    "    name=\"MultiTaskTutorialDataset\",\n",
+    "    df=df,\n",
+    "    target_props=target_props,\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    random_state=42,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Feature calculation and dataset preparation is the same as for single task models. During splitting compounds are assigned to the training or test set (not individual datapoints)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of samples train set: 5437\n",
+      "Number of samples test set: 1360\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data import RandomSplit\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)]\n",
+    ")\n",
+    "\n",
+    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
+    "print(f\"Number of samples test set: {len(dataset.y_ind)}\")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Training the model\n",
+    "We use a KNN model because it is relatively fast. "
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs('../../tutorial_output/models', exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir='../../tutorial_output/models',\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name='MultiTaskTutorialModel')\n",
+    "\n",
+    "CrossValAssessor('r2')(model, dataset)\n",
+    "TestSetAssessor('r2')(model, dataset)\n",
+    "\n",
+    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
+    "model.fitDataset(dataset)\n",
+    "\n",
+    "# and save the model\n",
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Model evaluation\n",
+    "Here we show how to calculate some metrics. Currently, imputed values are included in this analysis, the option to remove these from the analysis will be added soon."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{'explained_variance_score': 0.4549633639271329,\n",
+       " 'mean_absolute_error': 0.34031239889705883,\n",
+       " 'mean_squared_error': 0.3065409428972978,\n",
+       " 'r2_score': 0.45466478228023344,\n",
+       " 'ModelName': 'MultiTaskTutorialModel'}"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "from sklearn.metrics import explained_variance_score, mean_absolute_error, \\\n",
+    "    mean_squared_error, r2_score\n",
+    "\n",
+    "# get independent test set\n",
+    "df = pd.read_table(\n",
+    "    \"../../tutorial_output/models/MultiTaskTutorialModel/MultiTaskTutorialModel.ind.tsv\")\n",
+    "\n",
+    "# column names containing original labels or predictions for the tasks\n",
+    "label_names = [i for i in list(df.columns.values) if \"Label\" in i]\n",
+    "pred_names = [i for i in list(df.columns.values) if \"Prediction\" in i]\n",
+    "\n",
+    "# turn into np array\n",
+    "ylabel = df[label_names].to_numpy()\n",
+    "ypred = df[pred_names].to_numpy()\n",
+    "\n",
+    "# get metrics\n",
+    "summary = {}\n",
+    "for metric in [explained_variance_score, mean_absolute_error, mean_squared_error,\n",
+    "               r2_score]:\n",
+    "    score = metric(ylabel, ypred)\n",
+    "    summary[metric.__name__] = score\n",
+    "\n",
+    "summary[\"ModelName\"] = model.name\n",
+    "\n",
+    "summary"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now we can plot the results for each task, this plot shows the predicted vs. the true values for each task. There is currently no option to directly plot this with QSPRpred, but below you can find the code how to make this plot with matplotlib, from the saved assessment files (MultiTaskTutorialModel.cv.tsv and MultiTaskTutorialModel.ind.tsv)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "MultiTaskTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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+      "text/plain": [
+       "<Figure size 1769.5x400 with 4 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.regression import CorrelationPlot\n",
+    "\n",
+    "plot = CorrelationPlot([model])\n",
+    "axes, summary = plot.make(save=False, show=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Model</th>\n",
+       "      <th>Fold</th>\n",
+       "      <th>Property</th>\n",
+       "      <th>R2</th>\n",
+       "      <th>RMSE</th>\n",
+       "      <th>Set</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.474448</td>\n",
+       "      <td>0.580506</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.506103</td>\n",
+       "      <td>0.652539</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.498777</td>\n",
+       "      <td>0.375394</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.346141</td>\n",
+       "      <td>0.579652</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.569190</td>\n",
+       "      <td>0.555101</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.481111</td>\n",
+       "      <td>0.627636</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>6</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.392695</td>\n",
+       "      <td>0.432736</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>7</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.376402</td>\n",
+       "      <td>0.581783</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>8</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.533921</td>\n",
+       "      <td>0.571662</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>9</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.465407</td>\n",
+       "      <td>0.654595</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>10</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.451417</td>\n",
+       "      <td>0.383512</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>11</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.428533</td>\n",
+       "      <td>0.586473</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>12</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.537157</td>\n",
+       "      <td>0.546427</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>13</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.502841</td>\n",
+       "      <td>0.649132</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>14</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.460328</td>\n",
+       "      <td>0.393609</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>15</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.378164</td>\n",
+       "      <td>0.556198</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>16</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.524780</td>\n",
+       "      <td>0.541859</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>17</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.470968</td>\n",
+       "      <td>0.626571</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>18</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.414233</td>\n",
+       "      <td>0.380980</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>19</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.283460</td>\n",
+       "      <td>0.555482</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>20</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>P0DMS8</td>\n",
+       "      <td>0.479714</td>\n",
+       "      <td>0.561489</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>21</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>P29274</td>\n",
+       "      <td>0.480889</td>\n",
+       "      <td>0.661672</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>22</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>P29275</td>\n",
+       "      <td>0.425065</td>\n",
+       "      <td>0.407639</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>23</th>\n",
+       "      <td>MultiTaskTutorialModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>P30542</td>\n",
+       "      <td>0.432991</td>\n",
+       "      <td>0.553999</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                     Model              Fold Property        R2      RMSE  \\\n",
+       "0   MultiTaskTutorialModel               0.0   P0DMS8  0.474448  0.580506   \n",
+       "1   MultiTaskTutorialModel               0.0   P29274  0.506103  0.652539   \n",
+       "2   MultiTaskTutorialModel               0.0   P29275  0.498777  0.375394   \n",
+       "3   MultiTaskTutorialModel               0.0   P30542  0.346141  0.579652   \n",
+       "4   MultiTaskTutorialModel               1.0   P0DMS8  0.569190  0.555101   \n",
+       "5   MultiTaskTutorialModel               1.0   P29274  0.481111  0.627636   \n",
+       "6   MultiTaskTutorialModel               1.0   P29275  0.392695  0.432736   \n",
+       "7   MultiTaskTutorialModel               1.0   P30542  0.376402  0.581783   \n",
+       "8   MultiTaskTutorialModel               2.0   P0DMS8  0.533921  0.571662   \n",
+       "9   MultiTaskTutorialModel               2.0   P29274  0.465407  0.654595   \n",
+       "10  MultiTaskTutorialModel               2.0   P29275  0.451417  0.383512   \n",
+       "11  MultiTaskTutorialModel               2.0   P30542  0.428533  0.586473   \n",
+       "12  MultiTaskTutorialModel               3.0   P0DMS8  0.537157  0.546427   \n",
+       "13  MultiTaskTutorialModel               3.0   P29274  0.502841  0.649132   \n",
+       "14  MultiTaskTutorialModel               3.0   P29275  0.460328  0.393609   \n",
+       "15  MultiTaskTutorialModel               3.0   P30542  0.378164  0.556198   \n",
+       "16  MultiTaskTutorialModel               4.0   P0DMS8  0.524780  0.541859   \n",
+       "17  MultiTaskTutorialModel               4.0   P29274  0.470968  0.626571   \n",
+       "18  MultiTaskTutorialModel               4.0   P29275  0.414233  0.380980   \n",
+       "19  MultiTaskTutorialModel               4.0   P30542  0.283460  0.555482   \n",
+       "20  MultiTaskTutorialModel  Independent Test   P0DMS8  0.479714  0.561489   \n",
+       "21  MultiTaskTutorialModel  Independent Test   P29274  0.480889  0.661672   \n",
+       "22  MultiTaskTutorialModel  Independent Test   P29275  0.425065  0.407639   \n",
+       "23  MultiTaskTutorialModel  Independent Test   P30542  0.432991  0.553999   \n",
+       "\n",
+       "                 Set  \n",
+       "0   Cross Validation  \n",
+       "1   Cross Validation  \n",
+       "2   Cross Validation  \n",
+       "3   Cross Validation  \n",
+       "4   Cross Validation  \n",
+       "5   Cross Validation  \n",
+       "6   Cross Validation  \n",
+       "7   Cross Validation  \n",
+       "8   Cross Validation  \n",
+       "9   Cross Validation  \n",
+       "10  Cross Validation  \n",
+       "11  Cross Validation  \n",
+       "12  Cross Validation  \n",
+       "13  Cross Validation  \n",
+       "14  Cross Validation  \n",
+       "15  Cross Validation  \n",
+       "16  Cross Validation  \n",
+       "17  Cross Validation  \n",
+       "18  Cross Validation  \n",
+       "19  Cross Validation  \n",
+       "20  Independent Test  \n",
+       "21  Independent Test  \n",
+       "22  Independent Test  \n",
+       "23  Independent Test  "
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "summary"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/basics/benchmarking/benchmarking.ipynb b/tutorials/basics/benchmarking/benchmarking.ipynb
new file mode 100644
index 00000000..ec1ce7e7
--- /dev/null
+++ b/tutorials/basics/benchmarking/benchmarking.ipynb
@@ -0,0 +1,2660 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "946b09a325d34821",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "# Benchmarking QSPR Models and More\n",
+    "\n",
+    "The `qsprpred.benchmarks` module provides a set of functions to compare machine learning algorithms, preparation steps, hyperparameter optimization strategies, molecular descriptors and more on various data sets that are already prepared or of your own choosing. In this tutorial, we will provide a simple example to benchmark a selection of models and descriptors on a simple task using one of the data sets provided with this tutorial.\n",
+    "\n",
+    "## Choosing the Data Set\n",
+    "\n",
+    "The first step is to decide, which data set(s) to use for your benchmark. To make things a little faster, we will write a custom data source that will sample a smaller benchmarking set from our tutorial data set:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "67e2bc01b554b433",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:26.070669878Z",
+     "start_time": "2023-12-04T19:51:24.193787831Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_000</th>\n",
+       "      <td>CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1</td>\n",
+       "      <td>5.770</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>TutorialBenchmarkData_000</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_001</th>\n",
+       "      <td>CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O</td>\n",
+       "      <td>6.640</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>TutorialBenchmarkData_001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_002</th>\n",
+       "      <td>COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21</td>\n",
+       "      <td>7.880</td>\n",
+       "      <td>2015.0</td>\n",
+       "      <td>TutorialBenchmarkData_002</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_003</th>\n",
+       "      <td>COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1</td>\n",
+       "      <td>6.940</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>TutorialBenchmarkData_003</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_004</th>\n",
+       "      <td>COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1</td>\n",
+       "      <td>7.010</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>TutorialBenchmarkData_004</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_095</th>\n",
+       "      <td>Cc1ccc2c(O)c(C(=O)NCc3ccco3)cnc2n1</td>\n",
+       "      <td>7.460</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>TutorialBenchmarkData_095</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_096</th>\n",
+       "      <td>CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1</td>\n",
+       "      <td>7.102</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>TutorialBenchmarkData_096</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_097</th>\n",
+       "      <td>CCN(C(C)=O)c1ccc(Cl)c2c1sc(NC(=O)c1ccc(F)cc1)n2</td>\n",
+       "      <td>7.820</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>TutorialBenchmarkData_097</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_098</th>\n",
+       "      <td>CS(=O)(=O)c1ccc(Cn2ncc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>6.470</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>TutorialBenchmarkData_098</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_099</th>\n",
+       "      <td>N#Cc1c(-c2cc3c(cc2)OCO3)nc(N)nc1-c1ccccc1</td>\n",
+       "      <td>8.280</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>TutorialBenchmarkData_099</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>100 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                      SMILES  \\\n",
+       "QSPRID                                                                         \n",
+       "TutorialBenchmarkData_000                CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1   \n",
+       "TutorialBenchmarkData_001      CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O   \n",
+       "TutorialBenchmarkData_002  COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21   \n",
+       "TutorialBenchmarkData_003          COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1   \n",
+       "TutorialBenchmarkData_004   COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1   \n",
+       "...                                                                      ...   \n",
+       "TutorialBenchmarkData_095                 Cc1ccc2c(O)c(C(=O)NCc3ccco3)cnc2n1   \n",
+       "TutorialBenchmarkData_096               CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1   \n",
+       "TutorialBenchmarkData_097    CCN(C(C)=O)c1ccc(Cl)c2c1sc(NC(=O)c1ccc(F)cc1)n2   \n",
+       "TutorialBenchmarkData_098      CS(=O)(=O)c1ccc(Cn2ncc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "TutorialBenchmarkData_099          N#Cc1c(-c2cc3c(cc2)OCO3)nc(N)nc1-c1ccccc1   \n",
+       "\n",
+       "                           pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                  \n",
+       "TutorialBenchmarkData_000               5.770  2018.0   \n",
+       "TutorialBenchmarkData_001               6.640  2006.0   \n",
+       "TutorialBenchmarkData_002               7.880  2015.0   \n",
+       "TutorialBenchmarkData_003               6.940  2013.0   \n",
+       "TutorialBenchmarkData_004               7.010  2010.0   \n",
+       "...                                       ...     ...   \n",
+       "TutorialBenchmarkData_095               7.460  2005.0   \n",
+       "TutorialBenchmarkData_096               7.102  2013.0   \n",
+       "TutorialBenchmarkData_097               7.820  2010.0   \n",
+       "TutorialBenchmarkData_098               6.470  2008.0   \n",
+       "TutorialBenchmarkData_099               8.280  2008.0   \n",
+       "\n",
+       "                                              QSPRID  \n",
+       "QSPRID                                                \n",
+       "TutorialBenchmarkData_000  TutorialBenchmarkData_000  \n",
+       "TutorialBenchmarkData_001  TutorialBenchmarkData_001  \n",
+       "TutorialBenchmarkData_002  TutorialBenchmarkData_002  \n",
+       "TutorialBenchmarkData_003  TutorialBenchmarkData_003  \n",
+       "TutorialBenchmarkData_004  TutorialBenchmarkData_004  \n",
+       "...                                              ...  \n",
+       "TutorialBenchmarkData_095  TutorialBenchmarkData_095  \n",
+       "TutorialBenchmarkData_096  TutorialBenchmarkData_096  \n",
+       "TutorialBenchmarkData_097  TutorialBenchmarkData_097  \n",
+       "TutorialBenchmarkData_098  TutorialBenchmarkData_098  \n",
+       "TutorialBenchmarkData_099  TutorialBenchmarkData_099  \n",
+       "\n",
+       "[100 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "import pandas as pd\n",
+    "\n",
+    "from qsprpred.data import MoleculeTable\n",
+    "from qsprpred.data.sources import DataSource\n",
+    "\n",
+    "BASE_DIR = \"../../tutorial_output/benchmarking\"  # directory to store all benchmarking results and files\n",
+    "os.makedirs(BASE_DIR, exist_ok=True) # make sure it exists\n",
+    "SEED = 42  # random seed for all random operations, you should always get the same results with the same settings\n",
+    "\n",
+    "\n",
+    "class DataSourceTesting(DataSource):\n",
+    "    \"\"\"\n",
+    "    Just a simple wrapper around our tutorial data set.\n",
+    "    \"\"\"\n",
+    "\n",
+    "    def __init__(self, name: str, base_dir: str):\n",
+    "        self.name = name # name of the created data set\n",
+    "        self.baseDir = base_dir # where to save it and all its derived data sets\n",
+    "\n",
+    "    def getData(self, name: str | None = None, **kwargs) -> MoleculeTable:\n",
+    "        \"\"\"We just need to create a simple `MoleculeTable` here.\n",
+    "        Defining target properties is not necessary at thist point \n",
+    "        because they will be set as part of the benchmark paremetrization. \n",
+    "        To make things faster we will also sample only 100 molecules.\n",
+    "        Note that this method could also provide different data sets\n",
+    "        based on the `self.name` or other parameters. It also does not\n",
+    "        include descriptors, which are added as required creating derived\n",
+    "        data sets in `self.baseDir`.\n",
+    "        \"\"\"\n",
+    "        name = name or self.name\n",
+    "        return MoleculeTable(\n",
+    "            df=pd.read_table('../../tutorial_data/A2A_LIGANDS.tsv').sample(\n",
+    "                100,\n",
+    "                random_state=SEED\n",
+    "            ), # source data frame\n",
+    "            name=name, # \n",
+    "            store_dir=self.baseDir,\n",
+    "            **kwargs\n",
+    "        )\n",
+    "\n",
+    "\n",
+    "source = DataSourceTesting(\"TutorialBenchmarkData\", f\"{BASE_DIR}/data\")\n",
+    "example_ds = source.getData()\n",
+    "example_ds.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9f7dc5ac63df08f2",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "You can wrap your own data set in a `DataSource` class to use it for benchmarking. Just implement the `qsprpred.data.sources.data_source.DataSource` interface. Just make sure it containes properties that you specify as the `TargetProperty` later in the workflow. \n",
+    "\n",
+    "Next thing to do is to decide the benchmarking settings. You will use the `BenchmarkSettings` class to specify all details of your benchmark:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "436e87a72118398",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:26.930085252Z",
+     "start_time": "2023-12-04T19:51:26.073910007Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from sklearn.ensemble import ExtraTreesClassifier\n",
+    "from sklearn.naive_bayes import GaussianNB\n",
+    "from qsprpred.models import SklearnModel, TestSetAssessor\n",
+    "from qsprpred.data.processing.feature_filters import LowVarianceFilter\n",
+    "from sklearn.preprocessing import StandardScaler\n",
+    "from qsprpred.data import RandomSplit, ClusterSplit\n",
+    "from qsprpred import TargetProperty, TargetTasks\n",
+    "from qsprpred.data.descriptors.sets import RDKitDescs\n",
+    "from qsprpred.benchmarks import BenchmarkSettings, DataPrepSettings\n",
+    "\n",
+    "settings = BenchmarkSettings(\n",
+    "    name=\"TutorialBenchmark\",\n",
+    "    n_replicas=3,\n",
+    "    # number of repeated experiments for statistical power, just 3 here for faster calculations\n",
+    "    random_seed=SEED,  # random seed for all random operations\n",
+    "    data_sources=[\n",
+    "        # one or more data sources to use for benchmarking\n",
+    "        source # we defined this one above\n",
+    "    ],\n",
+    "    descriptors=[\n",
+    "        # in this case we will test 3 different combinations of descriptors\n",
+    "        [\n",
+    "            MorganFP(\n",
+    "                radius=2, nBits=256\n",
+    "            ),\n",
+    "            RDKitDescs()\n",
+    "        ],\n",
+    "        [\n",
+    "            MorganFP(\n",
+    "                radius=2, nBits=256\n",
+    "            )\n",
+    "        ],\n",
+    "        [\n",
+    "            RDKitDescs()\n",
+    "        ]\n",
+    "    ],\n",
+    "    target_props=[\n",
+    "        # one or more properties to model, the table from our data source must contain them\n",
+    "        [\n",
+    "            TargetProperty.fromDict(\n",
+    "                {\n",
+    "                    \"name\": \"pchembl_value_Mean\",\n",
+    "                    \"task\": TargetTasks.SINGLECLASS,\n",
+    "                    \"th\": [6.5]\n",
+    "                }\n",
+    "            )\n",
+    "        ],\n",
+    "    ],\n",
+    "    prep_settings=[\n",
+    "        # we will compare two splitting strategies, each time with the same feature filter and standardizer\n",
+    "        DataPrepSettings(\n",
+    "            split=RandomSplit(test_fraction=0.2),  # random split\n",
+    "            feature_filters=[LowVarianceFilter(0.05)],\n",
+    "            feature_standardizer=StandardScaler()\n",
+    "        ),\n",
+    "        DataPrepSettings(\n",
+    "            split=ClusterSplit(test_fraction=0.2),  # scaffold split\n",
+    "            feature_filters=[LowVarianceFilter(0.05)],\n",
+    "            feature_standardizer=StandardScaler()\n",
+    "        ),\n",
+    "    ],\n",
+    "    models=[\n",
+    "        # the algorithms to benchmarks, this can be any implementation of `QSPRModel`\n",
+    "        SklearnModel(\n",
+    "            name=\"GaussianNB\",\n",
+    "            alg=GaussianNB,\n",
+    "            base_dir=f\"{BASE_DIR}/models\",\n",
+    "        ),\n",
+    "        SklearnModel(\n",
+    "            name=\"ExtraTreesClassifier\",\n",
+    "            alg=ExtraTreesClassifier,\n",
+    "            base_dir=f\"{BASE_DIR}/models\",\n",
+    "        )\n",
+    "    ],\n",
+    "    assessors=[\n",
+    "        TestSetAssessor(scoring=\"roc_auc\"),\n",
+    "        TestSetAssessor(scoring=\"matthews_corrcoef\", use_proba=False),\n",
+    "    ]\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "30f857e5-1acb-4d07-a7ee-cb594f9be397",
+   "metadata": {},
+   "source": [
+    "These settings can be saved and reloaded as needed in the JSON format:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "3b87a592bc6cb0cd",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:26.989412610Z",
+     "start_time": "2023-12-04T19:51:26.938432576Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "BenchmarkSettings(name='TutorialBenchmark', n_replicas=3, random_seed=42, data_sources=[<__main__.DataSourceTesting object at 0x7fe8f2bb4b50>], descriptors=[[<qsprpred.data.descriptors.fingerprints.MorganFP object at 0x7fe8f2bb4640>, <qsprpred.data.descriptors.sets.RDKitDescs object at 0x7fe8f2bb4610>], [<qsprpred.data.descriptors.fingerprints.MorganFP object at 0x7fe8f2bb4520>], [<qsprpred.data.descriptors.sets.RDKitDescs object at 0x7fe8f2bb5810>]], target_props=[[TargetProperty(name=pchembl_value_Mean, task=SINGLECLASS, th=[6.5])]], prep_settings=[DataPrepSettings(data_filters=(<qsprpred.data.processing.data_filters.RepeatsFilter object at 0x7fe8f2bb4550>,), split=<qsprpred.data.sampling.splits.RandomSplit object at 0x7fe8f2bb5a50>, smiles_standardizer='chembl', feature_filters=[<qsprpred.data.processing.feature_filters.LowVarianceFilter object at 0x7fe8f2bb63b0>], feature_standardizer=StandardScaler(), feature_fill_value=0.0, shuffle=True), DataPrepSettings(data_filters=(<qsprpred.data.processing.data_filters.RepeatsFilter object at 0x7fe8f2bb4550>,), split=<qsprpred.data.sampling.splits.ClusterSplit object at 0x7fe8f2bb44c0>, smiles_standardizer='chembl', feature_filters=[<qsprpred.data.processing.feature_filters.LowVarianceFilter object at 0x7fe8f2bb6dd0>], feature_standardizer=StandardScaler(), feature_fill_value=0.0, shuffle=True)], models=[<qsprpred.models.scikit_learn.SklearnModel object at 0x7fe8f1c3e620>, <qsprpred.models.scikit_learn.SklearnModel object at 0x7fe8f1c3e560>], assessors=[<qsprpred.models.assessment_methods.TestSetAssessor object at 0x7fe8f2bb43d0>, <qsprpred.models.assessment_methods.TestSetAssessor object at 0x7fe8f2bb6f80>], optimizers=())"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "BenchmarkSettings.fromFile(settings.toFile(f\"{BASE_DIR}/settings.json\"))"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8c78c69d-1b41-4f9a-b3a6-847f32543644",
+   "metadata": {},
+   "source": [
+    "The settings can then be used to instantiate a runner that handles the creation of different replicas and data sets with the appropriate descriptors:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "914eac4a0e017b9b",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:27.055410526Z",
+     "start_time": "2023-12-04T19:51:26.994318126Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "from qsprpred.benchmarks import BenchmarkRunner\n",
+    "\n",
+    "runner = BenchmarkRunner(\n",
+    "    settings, # our settings\n",
+    "    data_dir=BASE_DIR # where to save outputs\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "e85dcbdb-17c8-42c1-9323-e55cc26e2b20",
+   "metadata": {},
+   "source": [
+    "To get an idea on computational complexity, we can check how many replicas we will run:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "55efc926f0ad0c8e",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:27.056970870Z",
+     "start_time": "2023-12-04T19:51:27.033618680Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "36"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "runner.nRuns"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "16600c9303070736",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "This is the number of all modeling workflows that the runner will execute. We can check the details of each one by iterating over the replicas:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "efa7a1f507803a8f",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:51:27.057888530Z",
+     "start_time": "2023-12-04T19:51:27.033966924Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "TutorialBenchmark_2746317213\n",
+      "TutorialBenchmarkData\n",
+      "[<qsprpred.data.descriptors.fingerprints.MorganFP object at 0x7fe8f2bb47f0>, <qsprpred.data.descriptors.sets.RDKitDescs object at 0x7fe8f2bb4790>]\n",
+      "[TargetProperty(name=pchembl_value_Mean, task=SINGLECLASS, th=[6.5])]\n",
+      "<qsprpred.data.sampling.splits.RandomSplit object at 0x7fe8f1c3cd60>\n"
+     ]
+    }
+   ],
+   "source": [
+    "for replica in runner.iterReplicas():\n",
+    "    # replicas contain all info needed to run an experiment\n",
+    "    print(replica)\n",
+    "    print(replica.dataSource.name)\n",
+    "    print(replica.descriptors)\n",
+    "    print(replica.targetProps)\n",
+    "    print(replica.prepSettings.split)\n",
+    "    break # only show the first replica"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "2e4c8cc2eca15762",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "Replicas also have methods to perform different stages of an experiment, but the runner executes them in order for us and also distributes the calculations over the available CPUs:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "648afe2cf213d695",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.346559116Z",
+     "start_time": "2023-12-04T19:51:27.034160103Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n",
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
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+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Assessor</th>\n",
+       "      <th>ScoreFunc</th>\n",
+       "      <th>Score</th>\n",
+       "      <th>TargetProperty</th>\n",
+       "      <th>TargetTask</th>\n",
+       "      <th>ModelFile</th>\n",
+       "      <th>Algorithm</th>\n",
+       "      <th>AlgorithmParams</th>\n",
+       "      <th>ReplicaID</th>\n",
+       "      <th>DataSet</th>\n",
+       "      <th>ReplicaFile</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.707071</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.393939</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.598901</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 478163327}</td>\n",
+       "      <td>TutorialBenchmark_478163327</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>-0.179106</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 478163327}</td>\n",
+       "      <td>TutorialBenchmark_478163327</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.590909</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_107420369</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>67</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>-0.089087</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1801823908}</td>\n",
+       "      <td>TutorialBenchmark_1801823908</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>68</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.646465</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2530876844</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>69</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.504430</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2530876844</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>70</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.776042</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1194819984}</td>\n",
+       "      <td>TutorialBenchmark_1194819984</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>71</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.357217</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1194819984}</td>\n",
+       "      <td>TutorialBenchmark_1194819984</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>72 rows × 11 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "           Assessor          ScoreFunc     Score      TargetProperty  \\\n",
+       "0   TestSetAssessor      roc_auc_score  0.707071  pchembl_value_Mean   \n",
+       "1   TestSetAssessor  matthews_corrcoef  0.393939  pchembl_value_Mean   \n",
+       "2   TestSetAssessor      roc_auc_score  0.598901  pchembl_value_Mean   \n",
+       "3   TestSetAssessor  matthews_corrcoef -0.179106  pchembl_value_Mean   \n",
+       "4   TestSetAssessor      roc_auc_score  0.590909  pchembl_value_Mean   \n",
+       "..              ...                ...       ...                 ...   \n",
+       "67  TestSetAssessor  matthews_corrcoef -0.089087  pchembl_value_Mean   \n",
+       "68  TestSetAssessor      roc_auc_score  0.646465  pchembl_value_Mean   \n",
+       "69  TestSetAssessor  matthews_corrcoef  0.504430  pchembl_value_Mean   \n",
+       "70  TestSetAssessor      roc_auc_score  0.776042  pchembl_value_Mean   \n",
+       "71  TestSetAssessor  matthews_corrcoef  0.357217  pchembl_value_Mean   \n",
+       "\n",
+       "     TargetTask                                          ModelFile  \\\n",
+       "0   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "1   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "2   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "3   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "4   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "..          ...                                                ...   \n",
+       "67  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "68  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "69  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "70  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "71  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "\n",
+       "               Algorithm               AlgorithmParams  \\\n",
+       "0             GaussianNB                           NaN   \n",
+       "1             GaussianNB                           NaN   \n",
+       "2   ExtraTreesClassifier   {\"random_state\": 478163327}   \n",
+       "3   ExtraTreesClassifier   {\"random_state\": 478163327}   \n",
+       "4             GaussianNB                           NaN   \n",
+       "..                   ...                           ...   \n",
+       "67  ExtraTreesClassifier  {\"random_state\": 1801823908}   \n",
+       "68            GaussianNB                           NaN   \n",
+       "69            GaussianNB                           NaN   \n",
+       "70  ExtraTreesClassifier  {\"random_state\": 1194819984}   \n",
+       "71  ExtraTreesClassifier  {\"random_state\": 1194819984}   \n",
+       "\n",
+       "                       ReplicaID                               DataSet  \\\n",
+       "0   TutorialBenchmark_2746317213  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "1   TutorialBenchmark_2746317213  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "2    TutorialBenchmark_478163327  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "3    TutorialBenchmark_478163327  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "4    TutorialBenchmark_107420369  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "..                           ...                                   ...   \n",
+       "67  TutorialBenchmark_1801823908        TutorialBenchmarkData_MorganFP   \n",
+       "68  TutorialBenchmark_2530876844           TutorialBenchmarkData_RDkit   \n",
+       "69  TutorialBenchmark_2530876844           TutorialBenchmarkData_RDkit   \n",
+       "70  TutorialBenchmark_1194819984           TutorialBenchmarkData_RDkit   \n",
+       "71  TutorialBenchmark_1194819984           TutorialBenchmarkData_RDkit   \n",
+       "\n",
+       "                                          ReplicaFile  \n",
+       "0   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "1   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "2   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "3   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "4   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "..                                                ...  \n",
+       "67  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "68  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "69  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "70  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "71  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "\n",
+       "[72 rows x 11 columns]"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import shutil\n",
+    "\n",
+    "if os.path.exists(BASE_DIR):\n",
+    "    # start fresh (not needed if you want to reuse results from the previous runs)\n",
+    "    shutil.rmtree(BASE_DIR, ignore_errors=True)\n",
+    "\n",
+    "# this will start the actual benchmarking\n",
+    "runner.run(raise_errors=True) # the runner will not continue if an error is raised"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "a872476f29adb9e3",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "**Note on reusing results:** It is recommended to reuse results only when the settings of the runner have not changed. If they did, you might be running a risk of reusing irrelevant results because the same ID can be generated for a replica that defines a different experiment in the new settings. Since this tutorial is for experimentation, we remmove the entire result directory (`BASE_DIR`) and start fresh each time. But you could also leave your results in place and the runner will continue from the last unfinished replica, but beware of the danger above when settings are changed.\n",
+    " \n",
+    "When the runner has finished we can load the results of our benchmark. It is a simple data frame:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "3b31955b5d284386",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.364975738Z",
+     "start_time": "2023-12-04T19:53:17.347941736Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(72, 11)"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df_results = pd.read_table(runner.resultsFile)\n",
+    "df_results.shape"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "900759ead548aaf7",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "It is 2 times the number of replicas because we have two test set assessors:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "id": "68994f588e36770a",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.448169598Z",
+     "start_time": "2023-12-04T19:53:17.370093901Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "72"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "2 * runner.nRuns"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "ddb7285bf87a0a3f",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "We can check the results for the first replica:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "id": "43b781b30b0828ec",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.450804564Z",
+     "start_time": "2023-12-04T19:53:17.383502651Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Assessor                                             TestSetAssessor\n",
+       "ScoreFunc                                              roc_auc_score\n",
+       "Score                                                       0.707071\n",
+       "TargetProperty                                    pchembl_value_Mean\n",
+       "TargetTask                                               SINGLECLASS\n",
+       "ModelFile          /home/sichom/projects/QSPRpred/tutorials/tutor...\n",
+       "Algorithm                                                 GaussianNB\n",
+       "AlgorithmParams                                                  NaN\n",
+       "ReplicaID                               TutorialBenchmark_2746317213\n",
+       "DataSet                         TutorialBenchmarkData_MorganFP_RDkit\n",
+       "ReplicaFile        /home/sichom/projects/QSPRpred/tutorials/tutor...\n",
+       "Name: 0, dtype: object"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df_results.iloc[0, :]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51892f8c72ba8478",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "We can see that for this replica we were testing the `GaussianNB` model with the `CL` property and the `RandomSplit` strategy. We can also see the `roc_auc_score` metric was measured here and its value is in the `Score` column. Note the `ReplicaFile` property as well, which we can always use to recreate the replica instance:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "id": "c3d16bb8c010f552",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.517715571Z",
+     "start_time": "2023-12-04T19:53:17.426944206Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<qsprpred.benchmarks.replica.Replica at 0x7fe8f1abdc00>"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.benchmarks import Replica\n",
+    "\n",
+    "replica = Replica.fromFile(df_results.iloc[0, :].ReplicaFile)\n",
+    "replica"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1da76b683abbe921",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "# Recreating Experiments\n",
+    "\n",
+    "QSPRpred aims for maximum reproducibility of experiments. Therefore, each replica can be rerun after saving and experiments repeated:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "id": "6789a62acc295862",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.747478815Z",
+     "start_time": "2023-12-04T19:53:17.427190710Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "# reinitialize data\n",
+    "replica.initData()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "id": "9043b7961eac066",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.749583014Z",
+     "start_time": "2023-12-04T19:53:17.590227383Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_000</th>\n",
+       "      <td>CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>TutorialBenchmarkData_000</td>\n",
+       "      <td>5.770</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_001</th>\n",
+       "      <td>CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>TutorialBenchmarkData_001</td>\n",
+       "      <td>6.640</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_002</th>\n",
+       "      <td>COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2015.0</td>\n",
+       "      <td>TutorialBenchmarkData_002</td>\n",
+       "      <td>7.880</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_003</th>\n",
+       "      <td>COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>TutorialBenchmarkData_003</td>\n",
+       "      <td>6.940</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_004</th>\n",
+       "      <td>COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>TutorialBenchmarkData_004</td>\n",
+       "      <td>7.010</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_095</th>\n",
+       "      <td>Cc1ccc2c(O)c(C(=O)NCc3ccco3)cnc2n1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>TutorialBenchmarkData_095</td>\n",
+       "      <td>7.460</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_096</th>\n",
+       "      <td>CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>TutorialBenchmarkData_096</td>\n",
+       "      <td>7.102</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_097</th>\n",
+       "      <td>CCN(C(C)=O)c1ccc(Cl)c2c1sc(NC(=O)c1ccc(F)cc1)n2</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>TutorialBenchmarkData_097</td>\n",
+       "      <td>7.820</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_098</th>\n",
+       "      <td>CS(=O)(=O)c1ccc(Cn2ncc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>TutorialBenchmarkData_098</td>\n",
+       "      <td>6.470</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_099</th>\n",
+       "      <td>N#Cc1c(-c2cc3c(cc2)OCO3)nc(N)nc1-c1ccccc1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>TutorialBenchmarkData_099</td>\n",
+       "      <td>8.280</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>100 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                      SMILES  \\\n",
+       "QSPRID                                                                         \n",
+       "TutorialBenchmarkData_000                CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1   \n",
+       "TutorialBenchmarkData_001      CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O   \n",
+       "TutorialBenchmarkData_002  COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21   \n",
+       "TutorialBenchmarkData_003          COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1   \n",
+       "TutorialBenchmarkData_004   COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1   \n",
+       "...                                                                      ...   \n",
+       "TutorialBenchmarkData_095                 Cc1ccc2c(O)c(C(=O)NCc3ccco3)cnc2n1   \n",
+       "TutorialBenchmarkData_096               CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1   \n",
+       "TutorialBenchmarkData_097    CCN(C(C)=O)c1ccc(Cl)c2c1sc(NC(=O)c1ccc(F)cc1)n2   \n",
+       "TutorialBenchmarkData_098      CS(=O)(=O)c1ccc(Cn2ncc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "TutorialBenchmarkData_099          N#Cc1c(-c2cc3c(cc2)OCO3)nc(N)nc1-c1ccccc1   \n",
+       "\n",
+       "                           pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                  \n",
+       "TutorialBenchmarkData_000               False  2018.0   \n",
+       "TutorialBenchmarkData_001                True  2006.0   \n",
+       "TutorialBenchmarkData_002                True  2015.0   \n",
+       "TutorialBenchmarkData_003                True  2013.0   \n",
+       "TutorialBenchmarkData_004                True  2010.0   \n",
+       "...                                       ...     ...   \n",
+       "TutorialBenchmarkData_095                True  2005.0   \n",
+       "TutorialBenchmarkData_096                True  2013.0   \n",
+       "TutorialBenchmarkData_097                True  2010.0   \n",
+       "TutorialBenchmarkData_098               False  2008.0   \n",
+       "TutorialBenchmarkData_099                True  2008.0   \n",
+       "\n",
+       "                                              QSPRID  \\\n",
+       "QSPRID                                                 \n",
+       "TutorialBenchmarkData_000  TutorialBenchmarkData_000   \n",
+       "TutorialBenchmarkData_001  TutorialBenchmarkData_001   \n",
+       "TutorialBenchmarkData_002  TutorialBenchmarkData_002   \n",
+       "TutorialBenchmarkData_003  TutorialBenchmarkData_003   \n",
+       "TutorialBenchmarkData_004  TutorialBenchmarkData_004   \n",
+       "...                                              ...   \n",
+       "TutorialBenchmarkData_095  TutorialBenchmarkData_095   \n",
+       "TutorialBenchmarkData_096  TutorialBenchmarkData_096   \n",
+       "TutorialBenchmarkData_097  TutorialBenchmarkData_097   \n",
+       "TutorialBenchmarkData_098  TutorialBenchmarkData_098   \n",
+       "TutorialBenchmarkData_099  TutorialBenchmarkData_099   \n",
+       "\n",
+       "                           pchembl_value_Mean_original  \n",
+       "QSPRID                                                  \n",
+       "TutorialBenchmarkData_000                        5.770  \n",
+       "TutorialBenchmarkData_001                        6.640  \n",
+       "TutorialBenchmarkData_002                        7.880  \n",
+       "TutorialBenchmarkData_003                        6.940  \n",
+       "TutorialBenchmarkData_004                        7.010  \n",
+       "...                                                ...  \n",
+       "TutorialBenchmarkData_095                        7.460  \n",
+       "TutorialBenchmarkData_096                        7.102  \n",
+       "TutorialBenchmarkData_097                        7.820  \n",
+       "TutorialBenchmarkData_098                        6.470  \n",
+       "TutorialBenchmarkData_099                        8.280  \n",
+       "\n",
+       "[100 rows x 5 columns]"
+      ]
+     },
+     "execution_count": 13,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "replica.ds.getDF()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "id": "e2350f54758b322d",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.778859168Z",
+     "start_time": "2023-12-04T19:53:17.629415528Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "# reinitialize descriptors\n",
+    "replica.addDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "id": "2f0d58048115c59d",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:17.948486536Z",
+     "start_time": "2023-12-04T19:53:17.738837349Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
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+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>MorganFP_0</th>\n",
+       "      <th>MorganFP_1</th>\n",
+       "      <th>MorganFP_2</th>\n",
+       "      <th>MorganFP_3</th>\n",
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+       "      <th>...</th>\n",
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+       "  </thead>\n",
+       "  <tbody>\n",
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+       "      <th>TutorialBenchmarkData_000</th>\n",
+       "      <td>False</td>\n",
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+       "      <th>TutorialBenchmarkData_001</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.736392</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_002</th>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.534122</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_003</th>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.733913</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_004</th>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.660116</td>\n",
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+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_095</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.768685</td>\n",
+       "    </tr>\n",
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+       "      <td>False</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.683816</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_097</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.699868</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_098</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.585306</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>TutorialBenchmarkData_099</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.780763</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>100 rows × 464 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                           MorganFP_0  MorganFP_1  MorganFP_2  MorganFP_3  \\\n",
+       "QSPRID                                                                      \n",
+       "TutorialBenchmarkData_000       False       False       False       False   \n",
+       "TutorialBenchmarkData_001       False       False       False        True   \n",
+       "TutorialBenchmarkData_002        True       False       False       False   \n",
+       "TutorialBenchmarkData_003        True       False       False       False   \n",
+       "TutorialBenchmarkData_004        True       False       False       False   \n",
+       "...                               ...         ...         ...         ...   \n",
+       "TutorialBenchmarkData_095       False       False       False       False   \n",
+       "TutorialBenchmarkData_096       False        True       False       False   \n",
+       "TutorialBenchmarkData_097       False       False       False       False   \n",
+       "TutorialBenchmarkData_098       False       False       False       False   \n",
+       "TutorialBenchmarkData_099       False       False       False       False   \n",
+       "\n",
+       "                           MorganFP_4  MorganFP_5  MorganFP_6  MorganFP_7  \\\n",
+       "QSPRID                                                                      \n",
+       "TutorialBenchmarkData_000       False       False        True        True   \n",
+       "TutorialBenchmarkData_001       False       False       False       False   \n",
+       "TutorialBenchmarkData_002       False       False       False       False   \n",
+       "TutorialBenchmarkData_003       False       False       False       False   \n",
+       "TutorialBenchmarkData_004       False       False       False       False   \n",
+       "...                               ...         ...         ...         ...   \n",
+       "TutorialBenchmarkData_095       False       False       False       False   \n",
+       "TutorialBenchmarkData_096       False       False       False       False   \n",
+       "TutorialBenchmarkData_097       False       False       False       False   \n",
+       "TutorialBenchmarkData_098       False       False       False        True   \n",
+       "TutorialBenchmarkData_099       False       False       False       False   \n",
+       "\n",
+       "                           MorganFP_8  MorganFP_9  ...  fr_sulfonamd  \\\n",
+       "QSPRID                                             ...                 \n",
+       "TutorialBenchmarkData_000       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_001       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_002        True       False  ...           0.0   \n",
+       "TutorialBenchmarkData_003       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_004       False       False  ...           0.0   \n",
+       "...                               ...         ...  ...           ...   \n",
+       "TutorialBenchmarkData_095       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_096       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_097       False       False  ...           0.0   \n",
+       "TutorialBenchmarkData_098        True       False  ...           0.0   \n",
+       "TutorialBenchmarkData_099       False       False  ...           0.0   \n",
+       "\n",
+       "                           fr_sulfone  fr_term_acetylene  fr_tetrazole  \\\n",
+       "QSPRID                                                                   \n",
+       "TutorialBenchmarkData_000         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_001         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_002         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_003         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_004         0.0                0.0           0.0   \n",
+       "...                               ...                ...           ...   \n",
+       "TutorialBenchmarkData_095         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_096         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_097         0.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_098         1.0                0.0           0.0   \n",
+       "TutorialBenchmarkData_099         0.0                0.0           0.0   \n",
+       "\n",
+       "                           fr_thiazole  fr_thiocyan  fr_thiophene  \\\n",
+       "QSPRID                                                              \n",
+       "TutorialBenchmarkData_000          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_001          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_002          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_003          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_004          1.0          0.0           0.0   \n",
+       "...                                ...          ...           ...   \n",
+       "TutorialBenchmarkData_095          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_096          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_097          1.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_098          0.0          0.0           0.0   \n",
+       "TutorialBenchmarkData_099          0.0          0.0           0.0   \n",
+       "\n",
+       "                           fr_unbrch_alkane  fr_urea       qed  \n",
+       "QSPRID                                                          \n",
+       "TutorialBenchmarkData_000               0.0      0.0  0.781396  \n",
+       "TutorialBenchmarkData_001               0.0      0.0  0.736392  \n",
+       "TutorialBenchmarkData_002               0.0      0.0  0.534122  \n",
+       "TutorialBenchmarkData_003               0.0      0.0  0.733913  \n",
+       "TutorialBenchmarkData_004               0.0      0.0  0.660116  \n",
+       "...                                     ...      ...       ...  \n",
+       "TutorialBenchmarkData_095               0.0      0.0  0.768685  \n",
+       "TutorialBenchmarkData_096               0.0      0.0  0.683816  \n",
+       "TutorialBenchmarkData_097               0.0      0.0  0.699868  \n",
+       "TutorialBenchmarkData_098               0.0      0.0  0.585306  \n",
+       "TutorialBenchmarkData_099               0.0      0.0  0.780763  \n",
+       "\n",
+       "[100 rows x 464 columns]"
+      ]
+     },
+     "execution_count": 15,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "replica.ds.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37353eed3159630a",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "It should be noted that the code above does not recalculate the descriptors, but rather reloads the data set saved here:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "id": "3f5e3e119d31df87",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.039887489Z",
+     "start_time": "2023-12-04T19:53:17.876592177Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "'../../tutorial_output/benchmarking/data/TutorialBenchmarkData_MorganFP_RDkit'"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "replica.ds.storeDir"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "id": "ce8ecc3ba4ed7040",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.635040145Z",
+     "start_time": "2023-12-04T19:53:17.917033710Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "# reproduce data preparation\n",
+    "replica.prepData()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "id": "a4e9c50aac43bb06",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.635570368Z",
+     "start_time": "2023-12-04T19:53:18.537241193Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "((80, 283), (20, 283))"
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# this for example yields the split from before\n",
+    "train, test = replica.ds.getFeatures()\n",
+    "train.shape, test.shape"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "id": "964e2c5a7c7f534f",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.635933817Z",
+     "start_time": "2023-12-04T19:53:18.557359861Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.naive_bayes.GaussianNB'> does not support it. Ignoring this setting.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "sklearn.naive_bayes.GaussianNB"
+      ]
+     },
+     "execution_count": 19,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# initialize model with the prepared data\n",
+    "replica.initModel()\n",
+    "replica.model.alg"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "id": "69aa790d0303eaa8",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.795234605Z",
+     "start_time": "2023-12-04T19:53:18.626929671Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "# run assesments\n",
+    "replica.runAssessment()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "e58e9da7ca7666a8",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "To results are saved withing the replica too:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 21,
+   "id": "f74851dad0bb1f0c",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.880943020Z",
+     "start_time": "2023-12-04T19:53:18.656332249Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Assessor</th>\n",
+       "      <th>ScoreFunc</th>\n",
+       "      <th>Score</th>\n",
+       "      <th>TargetProperty</th>\n",
+       "      <th>TargetTask</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.707071</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.393939</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "          Assessor          ScoreFunc     Score      TargetProperty  \\\n",
+       "0  TestSetAssessor      roc_auc_score  0.707071  pchembl_value_Mean   \n",
+       "0  TestSetAssessor  matthews_corrcoef  0.393939  pchembl_value_Mean   \n",
+       "\n",
+       "    TargetTask  \n",
+       "0  SINGLECLASS  \n",
+       "0  SINGLECLASS  "
+      ]
+     },
+     "execution_count": 21,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "replica.results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "ffa9ea8412fff166",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "Since the random seed was fixed to the original value, we should get the same results as in the original run:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 22,
+   "id": "296e5b8238a9e9d7",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.881582371Z",
+     "start_time": "2023-12-04T19:53:18.663758122Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(0.7070707070707071, 0.3939393939393939)"
+      ]
+     },
+     "execution_count": 22,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df_results.iloc[0, :].Score, df_results.iloc[1, :].Score"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "cade4c30b5799717",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "In order to get the complete report on the reproduced replica, the `replica.createReport()` method can be used:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 23,
+   "id": "cda6386658a87b40",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-04T19:53:18.883531366Z",
+     "start_time": "2023-12-04T19:53:18.707215679Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Assessor</th>\n",
+       "      <th>ScoreFunc</th>\n",
+       "      <th>Score</th>\n",
+       "      <th>TargetProperty</th>\n",
+       "      <th>TargetTask</th>\n",
+       "      <th>ModelFile</th>\n",
+       "      <th>Algorithm</th>\n",
+       "      <th>AlgorithmParams</th>\n",
+       "      <th>ReplicaID</th>\n",
+       "      <th>DataSet</th>\n",
+       "      <th>ReplicaFile</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.707071</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>null</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.393939</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>null</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "          Assessor          ScoreFunc     Score      TargetProperty  \\\n",
+       "0  TestSetAssessor      roc_auc_score  0.707071  pchembl_value_Mean   \n",
+       "0  TestSetAssessor  matthews_corrcoef  0.393939  pchembl_value_Mean   \n",
+       "\n",
+       "    TargetTask                                          ModelFile   Algorithm  \\\n",
+       "0  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...  GaussianNB   \n",
+       "0  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...  GaussianNB   \n",
+       "\n",
+       "  AlgorithmParams                     ReplicaID  \\\n",
+       "0            null  TutorialBenchmark_2746317213   \n",
+       "0            null  TutorialBenchmark_2746317213   \n",
+       "\n",
+       "                                DataSet  \\\n",
+       "0  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "0  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "\n",
+       "                                         ReplicaFile  \n",
+       "0  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "0  /home/sichom/projects/QSPRpred/tutorials/tutor...  "
+      ]
+     },
+     "execution_count": 23,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "replica.createReport()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "ffeea633f3493f15",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "source": [
+    "# Analyzing Results\n",
+    "\n",
+    "The resulting data frame contains concatenated reports from each replica. We can get detailed information about model parameters, data preparation settings, target properties and more. It is up to you to decide how to analyze the results. You can also override the `createReport()` method of the `Replica` class and change the `iterReplicas` of `BenchmarkRunner` to use your own implementation of various benchmarking steps.\n",
+    "\n",
+    "Here we just provide a few examples of retrieving various data to plot from the report we obtained here:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 24,
+   "id": "9774ff353cd09a58",
+   "metadata": {
+    "ExecuteTime": {
+     "start_time": "2023-12-04T19:55:40.270699980Z"
+    },
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Assessor</th>\n",
+       "      <th>ScoreFunc</th>\n",
+       "      <th>Score</th>\n",
+       "      <th>TargetProperty</th>\n",
+       "      <th>TargetTask</th>\n",
+       "      <th>ModelFile</th>\n",
+       "      <th>Algorithm</th>\n",
+       "      <th>AlgorithmParams</th>\n",
+       "      <th>ReplicaID</th>\n",
+       "      <th>DataSet</th>\n",
+       "      <th>ReplicaFile</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.707071</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.393939</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2746317213</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.598901</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 478163327}</td>\n",
+       "      <td>TutorialBenchmark_478163327</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>-0.179106</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 478163327}</td>\n",
+       "      <td>TutorialBenchmark_478163327</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.590909</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_107420369</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>67</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>-0.089087</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1801823908}</td>\n",
+       "      <td>TutorialBenchmark_1801823908</td>\n",
+       "      <td>TutorialBenchmarkData_MorganFP</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>68</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.646465</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2530876844</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>69</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.504430</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>GaussianNB</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>TutorialBenchmark_2530876844</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>70</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>roc_auc_score</td>\n",
+       "      <td>0.776042</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1194819984}</td>\n",
+       "      <td>TutorialBenchmark_1194819984</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>71</th>\n",
+       "      <td>TestSetAssessor</td>\n",
+       "      <td>matthews_corrcoef</td>\n",
+       "      <td>0.357217</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>SINGLECLASS</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "      <td>ExtraTreesClassifier</td>\n",
+       "      <td>{\"random_state\": 1194819984}</td>\n",
+       "      <td>TutorialBenchmark_1194819984</td>\n",
+       "      <td>TutorialBenchmarkData_RDkit</td>\n",
+       "      <td>/home/sichom/projects/QSPRpred/tutorials/tutor...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>72 rows × 11 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "           Assessor          ScoreFunc     Score      TargetProperty  \\\n",
+       "0   TestSetAssessor      roc_auc_score  0.707071  pchembl_value_Mean   \n",
+       "1   TestSetAssessor  matthews_corrcoef  0.393939  pchembl_value_Mean   \n",
+       "2   TestSetAssessor      roc_auc_score  0.598901  pchembl_value_Mean   \n",
+       "3   TestSetAssessor  matthews_corrcoef -0.179106  pchembl_value_Mean   \n",
+       "4   TestSetAssessor      roc_auc_score  0.590909  pchembl_value_Mean   \n",
+       "..              ...                ...       ...                 ...   \n",
+       "67  TestSetAssessor  matthews_corrcoef -0.089087  pchembl_value_Mean   \n",
+       "68  TestSetAssessor      roc_auc_score  0.646465  pchembl_value_Mean   \n",
+       "69  TestSetAssessor  matthews_corrcoef  0.504430  pchembl_value_Mean   \n",
+       "70  TestSetAssessor      roc_auc_score  0.776042  pchembl_value_Mean   \n",
+       "71  TestSetAssessor  matthews_corrcoef  0.357217  pchembl_value_Mean   \n",
+       "\n",
+       "     TargetTask                                          ModelFile  \\\n",
+       "0   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "1   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "2   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "3   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "4   SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "..          ...                                                ...   \n",
+       "67  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "68  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "69  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "70  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "71  SINGLECLASS  /home/sichom/projects/QSPRpred/tutorials/tutor...   \n",
+       "\n",
+       "               Algorithm               AlgorithmParams  \\\n",
+       "0             GaussianNB                           NaN   \n",
+       "1             GaussianNB                           NaN   \n",
+       "2   ExtraTreesClassifier   {\"random_state\": 478163327}   \n",
+       "3   ExtraTreesClassifier   {\"random_state\": 478163327}   \n",
+       "4             GaussianNB                           NaN   \n",
+       "..                   ...                           ...   \n",
+       "67  ExtraTreesClassifier  {\"random_state\": 1801823908}   \n",
+       "68            GaussianNB                           NaN   \n",
+       "69            GaussianNB                           NaN   \n",
+       "70  ExtraTreesClassifier  {\"random_state\": 1194819984}   \n",
+       "71  ExtraTreesClassifier  {\"random_state\": 1194819984}   \n",
+       "\n",
+       "                       ReplicaID                               DataSet  \\\n",
+       "0   TutorialBenchmark_2746317213  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "1   TutorialBenchmark_2746317213  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "2    TutorialBenchmark_478163327  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "3    TutorialBenchmark_478163327  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "4    TutorialBenchmark_107420369  TutorialBenchmarkData_MorganFP_RDkit   \n",
+       "..                           ...                                   ...   \n",
+       "67  TutorialBenchmark_1801823908        TutorialBenchmarkData_MorganFP   \n",
+       "68  TutorialBenchmark_2530876844           TutorialBenchmarkData_RDkit   \n",
+       "69  TutorialBenchmark_2530876844           TutorialBenchmarkData_RDkit   \n",
+       "70  TutorialBenchmark_1194819984           TutorialBenchmarkData_RDkit   \n",
+       "71  TutorialBenchmark_1194819984           TutorialBenchmarkData_RDkit   \n",
+       "\n",
+       "                                          ReplicaFile  \n",
+       "0   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "1   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "2   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "3   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "4   /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "..                                                ...  \n",
+       "67  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "68  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "69  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "70  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "71  /home/sichom/projects/QSPRpred/tutorials/tutor...  \n",
+       "\n",
+       "[72 rows x 11 columns]"
+      ]
+     },
+     "execution_count": 24,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "OUT_DIR = '../../tutorial_output/benchmarking'\n",
+    "\n",
+    "# reload the data manually this time to avoid recalculating everything (the above code needs to be executed at least once)\n",
+    "df_results = pd.read_table(f'{OUT_DIR}/results.tsv')\n",
+    "df_results"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "id": "5ef04268-7aff-4b3b-86f2-36dc7e7c11d1",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# we used different models, descriptors and splits\n",
+    "# probably makes sense to first get info about splits\n",
+    "# not in the original report, but...\n",
+    "\n",
+    "from qsprpred.benchmarks import Replica\n",
+    "\n",
+    "\n",
+    "def get_split_info(replica):\n",
+    "    replica = Replica.fromFile(replica)\n",
+    "    return str(replica.prepSettings.split.__class__.__name__)\n",
+    "\n",
+    "\n",
+    "df_results['Split'] = df_results.ReplicaFile.apply(get_split_info)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 26,
+   "id": "744bd95d-634f-434d-ab1b-27e4def03f8b",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "0     MorganFP_RDkit\n",
+       "1     MorganFP_RDkit\n",
+       "2     MorganFP_RDkit\n",
+       "3     MorganFP_RDkit\n",
+       "4     MorganFP_RDkit\n",
+       "           ...      \n",
+       "67          MorganFP\n",
+       "68             RDkit\n",
+       "69             RDkit\n",
+       "70             RDkit\n",
+       "71             RDkit\n",
+       "Name: Descriptors, Length: 72, dtype: object"
+      ]
+     },
+     "execution_count": 26,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# we have info about data set, which is ok to describe our combination of descriptors\n",
+    "df_results['Descriptors'] = df_results['DataSet'].apply(\n",
+    "    lambda x: \"_\".join(x.split('_')[1:]))\n",
+    "df_results['Descriptors']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 27,
+   "id": "6492ed39faa6b3d7",
+   "metadata": {
+    "collapsed": false,
+    "jupyter": {
+     "outputs_hidden": false
+    }
+   },
+   "outputs": [],
+   "source": [
+    "import seaborn as sns\n",
+    "from matplotlib import pyplot as plt\n",
+    "\n",
+    "\n",
+    "# we can now create a couple informative box plots\n",
+    "# check the output directory to see the figures\n",
+    "\n",
+    "def make_box_plot(data, x, y, hue, plot_name=\"boxplot\"):\n",
+    "    # generate one plot for each metric\n",
+    "    for score_func in df_results.ScoreFunc.unique():\n",
+    "        df_ind = df_results.loc[(df_results.ScoreFunc == score_func)]\n",
+    "        plt.ylim([0, 1])\n",
+    "        plt.title(score_func)\n",
+    "        sns.boxplot(\n",
+    "            data=df_ind,\n",
+    "            x=x,\n",
+    "            y=y,\n",
+    "            hue=hue,\n",
+    "        )\n",
+    "        plt.savefig(f\"{OUT_DIR}/{plot_name}_{score_func}_{x}_{y}_{hue}.png\")\n",
+    "        plt.clf()\n",
+    "        plt.close()\n",
+    "\n",
+    "\n",
+    "# comparison of descriptors and their influence on each model's performance in cluster split\n",
+    "make_box_plot(\n",
+    "    df_results[df_results.Split == \"ClusterSplit\"],\n",
+    "    x=\"Algorithm\",\n",
+    "    y=\"Score\",\n",
+    "    hue=\"Descriptors\",\n",
+    "    plot_name=\"ClusterSplit\"\n",
+    ")\n",
+    "# comparison of performance for different splitting strategies for each model (cluster split clearly more difficult)\n",
+    "# TODO: we could follow this up with a tutorial to integrate the AVE bias (still in qsp-bench, the tools.py script)\n",
+    "make_box_plot(\n",
+    "    df_results[df_results.Algorithm == \"GaussianNB\"],\n",
+    "    x=\"Split\",\n",
+    "    y=\"Score\",\n",
+    "    hue=\"Descriptors\",\n",
+    "    plot_name=\"GaussianNB\"\n",
+    ")\n",
+    "make_box_plot(\n",
+    "    df_results[df_results.Algorithm == \"ExtraTreesClassifier\"],\n",
+    "    x=\"Split\",\n",
+    "    y=\"Score\",\n",
+    "    hue=\"Descriptors\",\n",
+    "    plot_name=\"ExtraTreesClassifier\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "145ea671-8433-4515-b94f-4928e542cea5",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.9"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/basics/data/applicability_domain.ipynb b/tutorials/basics/data/applicability_domain.ipynb
new file mode 100644
index 00000000..bde885c4
--- /dev/null
+++ b/tutorials/basics/data/applicability_domain.ipynb
@@ -0,0 +1,692 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# suppres some warnings from mlchemad\n",
+    "import warnings\n",
+    "from sklearn.exceptions import DataConversionWarning\n",
+    "warnings.filterwarnings(\"ignore\", category=DataConversionWarning)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Applicability Domain\n",
+    "\n",
+    "Applicability domain is the area of the chemical space where the model is suitable to make predictions. It is important to know the applicability domain of a model to understand when it is extrapolating. Making predictions for compounds outside the applicability domain may lead to unexpectedly unreliable results. There are many ways to define the applicability domain of a model. In this tutorial, we will demonstrate how to use applicability domain calculations are integrated in QSPRpred."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n",
+      "qsprpred - WARNING - Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "      <th>Split_IsOutlier</th>\n",
+       "      <th>Split_IsTrain</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(CSc2nnc(N)s2)nc(Nc2ccc(F)cc2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 7 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                                    SMILES  \\\n",
+       "QSPRID                                                                                       \n",
+       "ApplicabilityDomainTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "ApplicabilityDomainTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
+       "ApplicabilityDomainTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "ApplicabilityDomainTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "ApplicabilityDomainTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                                    ...   \n",
+       "ApplicabilityDomainTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "ApplicabilityDomainTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "ApplicabilityDomainTutorialDataset_4079              Nc1nc(CSc2nnc(N)s2)nc(Nc2ccc(F)cc2)n1   \n",
+       "ApplicabilityDomainTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "ApplicabilityDomainTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                         pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                                \n",
+       "ApplicabilityDomainTutorialDataset_0000                8.68  2008.0   \n",
+       "ApplicabilityDomainTutorialDataset_0001                4.82  2010.0   \n",
+       "ApplicabilityDomainTutorialDataset_0002                5.65  2009.0   \n",
+       "ApplicabilityDomainTutorialDataset_0003                5.45  2009.0   \n",
+       "ApplicabilityDomainTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                                     ...     ...   \n",
+       "ApplicabilityDomainTutorialDataset_4077                7.09  2018.0   \n",
+       "ApplicabilityDomainTutorialDataset_4078                8.22  2008.0   \n",
+       "ApplicabilityDomainTutorialDataset_4079                4.89  2010.0   \n",
+       "ApplicabilityDomainTutorialDataset_4080                6.51  2013.0   \n",
+       "ApplicabilityDomainTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                                          QSPRID  \\\n",
+       "QSPRID                                                                             \n",
+       "ApplicabilityDomainTutorialDataset_0000  ApplicabilityDomainTutorialDataset_0000   \n",
+       "ApplicabilityDomainTutorialDataset_0001  ApplicabilityDomainTutorialDataset_0001   \n",
+       "ApplicabilityDomainTutorialDataset_0002  ApplicabilityDomainTutorialDataset_0002   \n",
+       "ApplicabilityDomainTutorialDataset_0003  ApplicabilityDomainTutorialDataset_0003   \n",
+       "ApplicabilityDomainTutorialDataset_0004  ApplicabilityDomainTutorialDataset_0004   \n",
+       "...                                                                          ...   \n",
+       "ApplicabilityDomainTutorialDataset_4077  ApplicabilityDomainTutorialDataset_4077   \n",
+       "ApplicabilityDomainTutorialDataset_4078  ApplicabilityDomainTutorialDataset_4078   \n",
+       "ApplicabilityDomainTutorialDataset_4079  ApplicabilityDomainTutorialDataset_4079   \n",
+       "ApplicabilityDomainTutorialDataset_4080  ApplicabilityDomainTutorialDataset_4080   \n",
+       "ApplicabilityDomainTutorialDataset_4081  ApplicabilityDomainTutorialDataset_4081   \n",
+       "\n",
+       "                                         pchembl_value_Mean_original  \\\n",
+       "QSPRID                                                                 \n",
+       "ApplicabilityDomainTutorialDataset_0000                         8.68   \n",
+       "ApplicabilityDomainTutorialDataset_0001                         4.82   \n",
+       "ApplicabilityDomainTutorialDataset_0002                         5.65   \n",
+       "ApplicabilityDomainTutorialDataset_0003                         5.45   \n",
+       "ApplicabilityDomainTutorialDataset_0004                         5.20   \n",
+       "...                                                              ...   \n",
+       "ApplicabilityDomainTutorialDataset_4077                         7.09   \n",
+       "ApplicabilityDomainTutorialDataset_4078                         8.22   \n",
+       "ApplicabilityDomainTutorialDataset_4079                         4.89   \n",
+       "ApplicabilityDomainTutorialDataset_4080                         6.51   \n",
+       "ApplicabilityDomainTutorialDataset_4081                         7.35   \n",
+       "\n",
+       "                                         Split_IsOutlier  Split_IsTrain  \n",
+       "QSPRID                                                                   \n",
+       "ApplicabilityDomainTutorialDataset_0000            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_0001            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_0002            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_0003            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_0004            False           True  \n",
+       "...                                                  ...            ...  \n",
+       "ApplicabilityDomainTutorialDataset_4077            False          False  \n",
+       "ApplicabilityDomainTutorialDataset_4078            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_4079             True          False  \n",
+       "ApplicabilityDomainTutorialDataset_4080            False           True  \n",
+       "ApplicabilityDomainTutorialDataset_4081            False          False  \n",
+       "\n",
+       "[4082 rows x 7 columns]"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# First create the dataset\n",
+    "import os\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"ApplicabilityDomainTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Removing outliers\n",
+    "\n",
+    "Outliers may be removed from the test set using an applicability domain. This is useful if you want to use the test set to evaluate the model performance, but you want to exclude compounds that are very different from the training set. To do this we need to specify the applicability domain of the model, for which we use the `ApplicabilityDomain` class. This class also takes a definition of the applicability domain from `MLChemAD` as input. \n",
+    "\n",
+    "`MLChemAD` is a package with applicability domain definitions for cheminformatics modelling (https://github.com/OlivierBeq/MLChemAD/tree/master). Here we will use the k-nearest neighbors approach.\n",
+    "\n",
+    "In `prepareDataset` we can then specify the `applicability_domain` argument and the `drop_outliers` argument to remove the outliers from the test set. The compounds in the test set that are outside the applicability domain of the training set can be accessed through the `Split_IsOutlier` column in the dataset.\n",
+    "\n",
+    "If we just want to fit the applicability domain, but not remove the outliers, we can set `drop_outliers` to False. This can be useful if you want to use the applicability domain when predicting target properties of new compounds and you want to know if the new compounds are within the applicability domain of the model."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of removed compounds: 114\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "      <th>Split_IsTrain</th>\n",
+       "      <th>Split_IsOutlier</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0025</th>\n",
+       "      <td>CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1</td>\n",
+       "      <td>5.21</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0025</td>\n",
+       "      <td>5.21</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0056</th>\n",
+       "      <td>O=c1[nH]c(-c2cccc(O)c2)cn2c(=O)n(-c3ccccc3)nc12</td>\n",
+       "      <td>5.39</td>\n",
+       "      <td>2017.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0056</td>\n",
+       "      <td>5.39</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0076</th>\n",
+       "      <td>O=C(NC1CC1)C12CC1C(n1cnc3c(NC4CC5CCC4C5)nc(Cl)...</td>\n",
+       "      <td>6.28</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0076</td>\n",
+       "      <td>6.28</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0080</th>\n",
+       "      <td>CCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CC)c1=O</td>\n",
+       "      <td>6.80</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0080</td>\n",
+       "      <td>6.80</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ApplicabilityDomainTutorialDataset_0124</th>\n",
+       "      <td>Nc1ncnc2c1ncn2C1C(O)C(O)C2(CO)CC12</td>\n",
+       "      <td>4.65</td>\n",
+       "      <td>2000.0</td>\n",
+       "      <td>ApplicabilityDomainTutorialDataset_0124</td>\n",
+       "      <td>4.65</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                                    SMILES  \\\n",
+       "QSPRID                                                                                       \n",
+       "ApplicabilityDomainTutorialDataset_0025        CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1   \n",
+       "ApplicabilityDomainTutorialDataset_0056    O=c1[nH]c(-c2cccc(O)c2)cn2c(=O)n(-c3ccccc3)nc12   \n",
+       "ApplicabilityDomainTutorialDataset_0076  O=C(NC1CC1)C12CC1C(n1cnc3c(NC4CC5CCC4C5)nc(Cl)...   \n",
+       "ApplicabilityDomainTutorialDataset_0080              CCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CC)c1=O   \n",
+       "ApplicabilityDomainTutorialDataset_0124                 Nc1ncnc2c1ncn2C1C(O)C(O)C2(CO)CC12   \n",
+       "\n",
+       "                                         pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                                \n",
+       "ApplicabilityDomainTutorialDataset_0025                5.21  2005.0   \n",
+       "ApplicabilityDomainTutorialDataset_0056                5.39  2017.0   \n",
+       "ApplicabilityDomainTutorialDataset_0076                6.28  2019.0   \n",
+       "ApplicabilityDomainTutorialDataset_0080                6.80  2019.0   \n",
+       "ApplicabilityDomainTutorialDataset_0124                4.65  2000.0   \n",
+       "\n",
+       "                                                                          QSPRID  \\\n",
+       "QSPRID                                                                             \n",
+       "ApplicabilityDomainTutorialDataset_0025  ApplicabilityDomainTutorialDataset_0025   \n",
+       "ApplicabilityDomainTutorialDataset_0056  ApplicabilityDomainTutorialDataset_0056   \n",
+       "ApplicabilityDomainTutorialDataset_0076  ApplicabilityDomainTutorialDataset_0076   \n",
+       "ApplicabilityDomainTutorialDataset_0080  ApplicabilityDomainTutorialDataset_0080   \n",
+       "ApplicabilityDomainTutorialDataset_0124  ApplicabilityDomainTutorialDataset_0124   \n",
+       "\n",
+       "                                         pchembl_value_Mean_original  \\\n",
+       "QSPRID                                                                 \n",
+       "ApplicabilityDomainTutorialDataset_0025                         5.21   \n",
+       "ApplicabilityDomainTutorialDataset_0056                         5.39   \n",
+       "ApplicabilityDomainTutorialDataset_0076                         6.28   \n",
+       "ApplicabilityDomainTutorialDataset_0080                         6.80   \n",
+       "ApplicabilityDomainTutorialDataset_0124                         4.65   \n",
+       "\n",
+       "                                         Split_IsTrain  Split_IsOutlier  \n",
+       "QSPRID                                                                   \n",
+       "ApplicabilityDomainTutorialDataset_0025          False             True  \n",
+       "ApplicabilityDomainTutorialDataset_0056          False             True  \n",
+       "ApplicabilityDomainTutorialDataset_0076          False             True  \n",
+       "ApplicabilityDomainTutorialDataset_0080          False             True  \n",
+       "ApplicabilityDomainTutorialDataset_0124          False             True  "
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data.sampling.splits import RandomSplit\n",
+    "from mlchemad.applicability_domains import KNNApplicabilityDomain\n",
+    "\n",
+    "# define applicability domain\n",
+    "applicability_domain = KNNApplicabilityDomain(scaling=None, dist=\"rogerstanimoto\")\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    "    applicability_domain=applicability_domain,\n",
+    "    drop_outliers=True\n",
+    ")\n",
+    "\n",
+    "dataset.save()\n",
+    "\n",
+    "# print dropped compounds\n",
+    "dropped_compounds = dataset.getDF().query(\"Split_IsOutlier == True\")\n",
+    "\n",
+    "print(f\"Number of removed compounds: {len(dropped_compounds)}\")\n",
+    "\n",
+    "dropped_compounds.head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "If we now get the features (or targets) from the dataset, we can see that the outliers have been removed from the test set."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of compounds in train set: 3265\n",
+      "Number of compounds in test set: 703\n",
+      "Total number of compounds in train and test: 3968\n",
+      "Total number of compounds in whole dataset: 4082\n",
+      "Number removed compounds: 114\n"
+     ]
+    }
+   ],
+   "source": [
+    "X_train, X_test = dataset.getFeatures()\n",
+    "y_train, y_test = dataset.getTargetPropertiesValues()\n",
+    "\n",
+    "print(f\"Number of compounds in train set: {X_train.shape[0]}\")\n",
+    "print(f\"Number of compounds in test set: {X_test.shape[0]}\")\n",
+    "print(\n",
+    "    f\"Total number of compounds in train and test: {X_train.shape[0] + X_test.shape[0]}\")\n",
+    "\n",
+    "# print total number of compounds\n",
+    "print(f\"Total number of compounds in whole dataset: {dataset.getDF().shape[0]}\")\n",
+    "\n",
+    "print(\n",
+    "    f\"Number removed compounds: {dataset.getDF().shape[0] - (X_train.shape[0] + X_test.shape[0])}\")\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Note. if `concat=True` in `getFeatures` or `getTargetPropertiesValues`, the outliers will not be removed from the dataset.\n",
+    "Therefore, when training a `QSPRModel` on the whole dataset with `fitAttached`, all compounds will still be used for training."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(4082, 2048)"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getFeatures(concat=True).shape"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "In addition, the removed compounds can be visualized with a TSNE plot, as demonstrated below."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<Axes: >"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "# make TSNE\n",
+    "from sklearn.manifold import TSNE\n",
+    "\n",
+    "tsne = TSNE(n_components=2)\n",
+    "PC = tsne.fit_transform(dataset.getFeatures(concat=True, ordered=True))\n",
+    "\n",
+    "# plot TSNE\n",
+    "\n",
+    "# create new column with split information (train/test_inlier/test_outlier)\n",
+    "dataset.df[\"Split_Set\"] = dataset.getDF()[\"Split_IsTrain\"].map(\n",
+    "    {True: \"Train\", False: \"Test_inlier\"})\n",
+    "dataset.df.loc[dataset.getDF()[\"Split_IsOutlier\"], \"Split_Set\"] = \"Test_outlier\"\n",
+    "\n",
+    "import seaborn as sns\n",
+    "\n",
+    "sns.scatterplot(x=PC[:, 0], y=PC[:, 1], hue=dataset.getDF()[\"Split_Set\"],\n",
+    "                palette={\"Train\": \"grey\", \"Test_inlier\": \"green\",\n",
+    "                         \"Test_outlier\": \"red\"}, s=10, edgecolor=None)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Determining applicability of new compounds\n",
+    "\n",
+    "Moreover, the applicability domain specified in the dataset preparation can also be used to determine if new compounds are within the applicability domain of the model. If an applicability domain is attached to a dataset used for training a `QSPRModel`, it will be fitted on the whole dataset when the `fitAttached` method is called. The fitted applicability domain will then be attached to the model and when calling the `predictMols` method, it will return a dataframe with the predictions and a dataframe with information about whether the compounds are within the applicability domain of the model or not."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# initialize model\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name=\"ApplicabilityDomainTutorialModel\"\n",
+    ")\n",
+    "\n",
+    "# We need to fit the model on the complete dataset to be able to use the attached applicability domain\n",
+    "_ = model.fitDataset(dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(array([[6.336],\n",
+       "        [8.325],\n",
+       "        [4.912]]),\n",
+       " array([[ True],\n",
+       "        [ True],\n",
+       "        [False]]))"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "smiles_list = [\"O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1\",\n",
+    "               \"Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1\",\n",
+    "               \"Nc1nc(CSc2nnc(N)s2)nc(Nc2ccc(Cl)cc2)n1\"]\n",
+    "\n",
+    "model.predictMols(smiles_list, use_applicability_domain=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred_py310",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/data/data_collection_with_papyrus.ipynb b/tutorials/basics/data/data_collection_with_papyrus.ipynb
new file mode 100644
index 00000000..6f10c128
--- /dev/null
+++ b/tutorials/basics/data/data_collection_with_papyrus.ipynb
@@ -0,0 +1,456 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Data Collection with Papyrus\n",
+    "\n",
+    "QSPRpred provides a wrapper `Papyrus` around the [Papyrus](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00672-x) data set and its [associated scripts](https://github.com/OlivierBeq/Papyrus-scripts), this allows you to easily fetch bioactivity data for a particular set of protein targets.\n",
+    "The class fetches the data set and allows to perform efficient filtering and queries for some common tasks. In this tutorial, we will show how to fetch bioactivity data for a particular set of protein targets.\n",
+    "\n",
+    "### Fetching Bioactivity Data\n",
+    "\n",
+    "We can use the following code to fetch bioactivity data for multiple adenosine receptor subtypes (A2A (P29274), A2B (P29275), A1 (P30542), A3 (P0DMS8)) at once."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "########## DISCLAIMER ##########\n",
+      "You are downloading the high-quality Papyrus++ dataset.\n",
+      "Should you want to access the entire, though of lower quality, Papyrus dataset,\n",
+      "look into additional switches of this command.\n",
+      "################################\n",
+      "Number of files to be downloaded: 3\n",
+      "Total size: 33.0MB\n"
+     ]
+    },
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "500a30b658cc4c4b8f2262a9f3daa590",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "Downloading version 05.6:   0%|          | 0.00/33.0M [00:00<?, ?B/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Reading data from ../../tutorial_data/papyrus...\n",
+      "Read all data.\n",
+      "Initialized filters.\n"
+     ]
+    },
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "b5b8ba9e2a0744c5bdec712d2afcd6f0",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "0it [00:00, ?it/s]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of compounds:12440\n",
+      "Wrote data to file '../../tutorial_output/data/PapyrusTutorialDataset.tsv'.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Activity_ID</th>\n",
+       "      <th>Quality</th>\n",
+       "      <th>source</th>\n",
+       "      <th>CID</th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>connectivity</th>\n",
+       "      <th>InChIKey</th>\n",
+       "      <th>InChI</th>\n",
+       "      <th>InChI_AuxInfo</th>\n",
+       "      <th>target_id</th>\n",
+       "      <th>...</th>\n",
+       "      <th>Activity_class</th>\n",
+       "      <th>relation</th>\n",
+       "      <th>pchembl_value</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>pchembl_value_StdDev</th>\n",
+       "      <th>pchembl_value_SEM</th>\n",
+       "      <th>pchembl_value_N</th>\n",
+       "      <th>pchembl_value_Median</th>\n",
+       "      <th>pchembl_value_MAD</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PapyrusTutorialDataset_00000</th>\n",
+       "      <td>AACWUFIIMOHGSO_on_P29274_WT</td>\n",
+       "      <td>High</td>\n",
+       "      <td>ChEMBL31</td>\n",
+       "      <td>ChEMBL31.compound.91968</td>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>AACWUFIIMOHGSO</td>\n",
+       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
+       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
+       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
+       "      <td>P29274_WT</td>\n",
+       "      <td>...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>=</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>PapyrusTutorialDataset_00000</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PapyrusTutorialDataset_00001</th>\n",
+       "      <td>AACWUFIIMOHGSO_on_P30542_WT</td>\n",
+       "      <td>High</td>\n",
+       "      <td>ChEMBL31</td>\n",
+       "      <td>ChEMBL31.compound.91968</td>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>AACWUFIIMOHGSO</td>\n",
+       "      <td>AACWUFIIMOHGSO-UHFFFAOYSA-N</td>\n",
+       "      <td>InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...</td>\n",
+       "      <td>\"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...</td>\n",
+       "      <td>P30542_WT</td>\n",
+       "      <td>...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>=</td>\n",
+       "      <td>6.68</td>\n",
+       "      <td>6.68</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>6.68</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>PapyrusTutorialDataset_00001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PapyrusTutorialDataset_00002</th>\n",
+       "      <td>AAEYTMMNWWKSKZ_on_P29274_WT</td>\n",
+       "      <td>High</td>\n",
+       "      <td>ChEMBL31</td>\n",
+       "      <td>ChEMBL31.compound.131451</td>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>AAEYTMMNWWKSKZ</td>\n",
+       "      <td>AAEYTMMNWWKSKZ-UHFFFAOYSA-N</td>\n",
+       "      <td>InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...</td>\n",
+       "      <td>\"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...</td>\n",
+       "      <td>P29274_WT</td>\n",
+       "      <td>...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>=</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>PapyrusTutorialDataset_00002</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PapyrusTutorialDataset_00003</th>\n",
+       "      <td>AAGFKZWKWAMJNP_on_P0DMS8_WT</td>\n",
+       "      <td>High</td>\n",
+       "      <td>ChEMBL31</td>\n",
+       "      <td>ChEMBL31.compound.100375</td>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>AAGFKZWKWAMJNP</td>\n",
+       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
+       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
+       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
+       "      <td>P0DMS8_WT</td>\n",
+       "      <td>...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>=</td>\n",
+       "      <td>7.15</td>\n",
+       "      <td>7.15</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>7.15</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>PapyrusTutorialDataset_00003</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PapyrusTutorialDataset_00004</th>\n",
+       "      <td>AAGFKZWKWAMJNP_on_P29274_WT</td>\n",
+       "      <td>High</td>\n",
+       "      <td>ChEMBL31</td>\n",
+       "      <td>ChEMBL31.compound.100375</td>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>AAGFKZWKWAMJNP</td>\n",
+       "      <td>AAGFKZWKWAMJNP-UHFFFAOYSA-N</td>\n",
+       "      <td>InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...</td>\n",
+       "      <td>\"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...</td>\n",
+       "      <td>P29274_WT</td>\n",
+       "      <td>...</td>\n",
+       "      <td>NaN</td>\n",
+       "      <td>=</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>PapyrusTutorialDataset_00004</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 33 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                              Activity_ID Quality    source  \\\n",
+       "QSPRID                                                                        \n",
+       "PapyrusTutorialDataset_00000  AACWUFIIMOHGSO_on_P29274_WT    High  ChEMBL31   \n",
+       "PapyrusTutorialDataset_00001  AACWUFIIMOHGSO_on_P30542_WT    High  ChEMBL31   \n",
+       "PapyrusTutorialDataset_00002  AAEYTMMNWWKSKZ_on_P29274_WT    High  ChEMBL31   \n",
+       "PapyrusTutorialDataset_00003  AAGFKZWKWAMJNP_on_P0DMS8_WT    High  ChEMBL31   \n",
+       "PapyrusTutorialDataset_00004  AAGFKZWKWAMJNP_on_P29274_WT    High  ChEMBL31   \n",
+       "\n",
+       "                                                   CID  \\\n",
+       "QSPRID                                                   \n",
+       "PapyrusTutorialDataset_00000   ChEMBL31.compound.91968   \n",
+       "PapyrusTutorialDataset_00001   ChEMBL31.compound.91968   \n",
+       "PapyrusTutorialDataset_00002  ChEMBL31.compound.131451   \n",
+       "PapyrusTutorialDataset_00003  ChEMBL31.compound.100375   \n",
+       "PapyrusTutorialDataset_00004  ChEMBL31.compound.100375   \n",
+       "\n",
+       "                                                                         SMILES  \\\n",
+       "QSPRID                                                                            \n",
+       "PapyrusTutorialDataset_00000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "PapyrusTutorialDataset_00001  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "PapyrusTutorialDataset_00002  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "PapyrusTutorialDataset_00003   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "PapyrusTutorialDataset_00004   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "\n",
+       "                                connectivity                     InChIKey  \\\n",
+       "QSPRID                                                                      \n",
+       "PapyrusTutorialDataset_00000  AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
+       "PapyrusTutorialDataset_00001  AACWUFIIMOHGSO  AACWUFIIMOHGSO-UHFFFAOYSA-N   \n",
+       "PapyrusTutorialDataset_00002  AAEYTMMNWWKSKZ  AAEYTMMNWWKSKZ-UHFFFAOYSA-N   \n",
+       "PapyrusTutorialDataset_00003  AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
+       "PapyrusTutorialDataset_00004  AAGFKZWKWAMJNP  AAGFKZWKWAMJNP-UHFFFAOYSA-N   \n",
+       "\n",
+       "                                                                          InChI  \\\n",
+       "QSPRID                                                                            \n",
+       "PapyrusTutorialDataset_00000  InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
+       "PapyrusTutorialDataset_00001  InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-...   \n",
+       "PapyrusTutorialDataset_00002  InChI=1S/C18H16N4O3S/c19-15-13-9-10-3-1-2-4-14...   \n",
+       "PapyrusTutorialDataset_00003  InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
+       "PapyrusTutorialDataset_00004  InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-...   \n",
+       "\n",
+       "                                                                  InChI_AuxInfo  \\\n",
+       "QSPRID                                                                            \n",
+       "PapyrusTutorialDataset_00000  \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
+       "PapyrusTutorialDataset_00001  \"AuxInfo=1/1/N:1,26,22,14,15,20,19,11,12,27,6,...   \n",
+       "PapyrusTutorialDataset_00002  \"AuxInfo=1/1/N:22,23,21,24,8,15,9,14,19,20,7,1...   \n",
+       "PapyrusTutorialDataset_00003  \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
+       "PapyrusTutorialDataset_00004  \"AuxInfo=1/1/N:27,19,26,28,18,20,9,25,29,17,21...   \n",
+       "\n",
+       "                              target_id  ... Activity_class relation  \\\n",
+       "QSPRID                                   ...                           \n",
+       "PapyrusTutorialDataset_00000  P29274_WT  ...            NaN        =   \n",
+       "PapyrusTutorialDataset_00001  P30542_WT  ...            NaN        =   \n",
+       "PapyrusTutorialDataset_00002  P29274_WT  ...            NaN        =   \n",
+       "PapyrusTutorialDataset_00003  P0DMS8_WT  ...            NaN        =   \n",
+       "PapyrusTutorialDataset_00004  P29274_WT  ...            NaN        =   \n",
+       "\n",
+       "                             pchembl_value pchembl_value_Mean  \\\n",
+       "QSPRID                                                          \n",
+       "PapyrusTutorialDataset_00000          8.68               8.68   \n",
+       "PapyrusTutorialDataset_00001          6.68               6.68   \n",
+       "PapyrusTutorialDataset_00002          4.82               4.82   \n",
+       "PapyrusTutorialDataset_00003          7.15               7.15   \n",
+       "PapyrusTutorialDataset_00004          5.65               5.65   \n",
+       "\n",
+       "                             pchembl_value_StdDev  pchembl_value_SEM  \\\n",
+       "QSPRID                                                                 \n",
+       "PapyrusTutorialDataset_00000                  0.0                0.0   \n",
+       "PapyrusTutorialDataset_00001                  0.0                0.0   \n",
+       "PapyrusTutorialDataset_00002                  0.0                0.0   \n",
+       "PapyrusTutorialDataset_00003                  0.0                0.0   \n",
+       "PapyrusTutorialDataset_00004                  0.0                0.0   \n",
+       "\n",
+       "                             pchembl_value_N pchembl_value_Median  \\\n",
+       "QSPRID                                                              \n",
+       "PapyrusTutorialDataset_00000             1.0                 8.68   \n",
+       "PapyrusTutorialDataset_00001             1.0                 6.68   \n",
+       "PapyrusTutorialDataset_00002             1.0                 4.82   \n",
+       "PapyrusTutorialDataset_00003             1.0                 7.15   \n",
+       "PapyrusTutorialDataset_00004             1.0                 5.65   \n",
+       "\n",
+       "                             pchembl_value_MAD                        QSPRID  \n",
+       "QSPRID                                                                        \n",
+       "PapyrusTutorialDataset_00000               0.0  PapyrusTutorialDataset_00000  \n",
+       "PapyrusTutorialDataset_00001               0.0  PapyrusTutorialDataset_00001  \n",
+       "PapyrusTutorialDataset_00002               0.0  PapyrusTutorialDataset_00002  \n",
+       "PapyrusTutorialDataset_00003               0.0  PapyrusTutorialDataset_00003  \n",
+       "PapyrusTutorialDataset_00004               0.0  PapyrusTutorialDataset_00004  \n",
+       "\n",
+       "[5 rows x 33 columns]"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.sources.papyrus import Papyrus\n",
+    "\n",
+    "acc_keys = [\"P29274\", \"P29275\", \"P30542\", \"P0DMS8\"]\n",
+    "dataset_name = \"PapyrusTutorialDataset\"  # name of the file to be generated\n",
+    "quality = \"high\"  # choose minimum quality from {\"high\", \"medium\", \"low\"}\n",
+    "papyrus_version = \"05.6\"  # Papyrus database version\n",
+    "data_dir = \"../../tutorial_data/papyrus\"  # directory to store the Papyrus data\n",
+    "output_dir = \"../../tutorial_output/data\"  # directory to store the generated dataset\n",
+    "\n",
+    "# Create a Papyrus object, which specifies the version and directory to store the payrus data\n",
+    "papyrus = Papyrus(\n",
+    "    data_dir=data_dir,\n",
+    "    version=papyrus_version,\n",
+    "    stereo=False,\n",
+    "    plus_only=True,\n",
+    ")\n",
+    "\n",
+    "# Create subset of payrus data for the given accession keys, returns a MoleculeTable\n",
+    "mt = papyrus.getData(\n",
+    "    dataset_name,\n",
+    "    acc_keys,\n",
+    "    quality,\n",
+    "    output_dir=output_dir,\n",
+    "    use_existing=True,\n",
+    "    activity_types=[\"Ki\", \"IC50\", \"Kd\"]\n",
+    ")\n",
+    "mt.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "By default, the method returns a `MoleculeTable` so if you want to turn it into a `QSPRDataset` for modelling, you have to use the `fromMolTable` helper method. See the [data representation tutorial](data_representation.ipynb) for more details.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[TargetProperty(name=pchembl_value_Median_class, task=SINGLECLASS, th=[6.5])]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred import TargetTasks\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "target_props = [\n",
+    "    {\"name\": \"pchembl_value_Median\", \"task\": TargetTasks.SINGLECLASS, \"th\": [6.5]}]\n",
+    "ds = QSPRDataset.fromMolTable(mt, target_props=target_props)\n",
+    "ds.targetProperties"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.11.4"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/data/data_preparation.ipynb b/tutorials/basics/data/data_preparation.ipynb
new file mode 100644
index 00000000..e6327a41
--- /dev/null
+++ b/tutorials/basics/data/data_preparation.ipynb
@@ -0,0 +1,896 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# suppres numpy RuntimeWarning\n",
+    "import warnings\n",
+    "\n",
+    "warnings.filterwarnings(\"ignore\", category=RuntimeWarning)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Data preparation\n",
+    "\n",
+    "In this tutorial we will go deeper into the different data preparation options that are possible within QSPRpred.\n",
+    "\n",
+    "The first step is to load the data and wrap it into a QSPRpred dataset object.\n",
+    "Here we will create a regression dataset, but if you want to learn more about how to prepare\n",
+    "classification data, please check the [classification tutorial](../modelling/classification.ipynb).\n",
+    "If you want to know more about how to specifiy the target property,\n",
+    "you can have a look at the [documentation](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.data.html#qsprpred.data.data.TargetProperty) on this topic."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>PreparationTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>PreparationTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>PreparationTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>PreparationTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>PreparationTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>PreparationTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                            SMILES  \\\n",
+       "QSPRID                                                                               \n",
+       "PreparationTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "PreparationTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "PreparationTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "PreparationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "PreparationTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                            ...   \n",
+       "PreparationTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "PreparationTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "PreparationTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "PreparationTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "PreparationTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                 pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                8.68  2008.0   \n",
+       "PreparationTutorialDataset_0001                4.82  2010.0   \n",
+       "PreparationTutorialDataset_0002                5.65  2009.0   \n",
+       "PreparationTutorialDataset_0003                5.45  2009.0   \n",
+       "PreparationTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                             ...     ...   \n",
+       "PreparationTutorialDataset_4077                7.09  2018.0   \n",
+       "PreparationTutorialDataset_4078                8.22  2008.0   \n",
+       "PreparationTutorialDataset_4079                4.89  2010.0   \n",
+       "PreparationTutorialDataset_4080                6.51  2013.0   \n",
+       "PreparationTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                          QSPRID  \\\n",
+       "QSPRID                                                             \n",
+       "PreparationTutorialDataset_0000  PreparationTutorialDataset_0000   \n",
+       "PreparationTutorialDataset_0001  PreparationTutorialDataset_0001   \n",
+       "PreparationTutorialDataset_0002  PreparationTutorialDataset_0002   \n",
+       "PreparationTutorialDataset_0003  PreparationTutorialDataset_0003   \n",
+       "PreparationTutorialDataset_0004  PreparationTutorialDataset_0004   \n",
+       "...                                                          ...   \n",
+       "PreparationTutorialDataset_4077  PreparationTutorialDataset_4077   \n",
+       "PreparationTutorialDataset_4078  PreparationTutorialDataset_4078   \n",
+       "PreparationTutorialDataset_4079  PreparationTutorialDataset_4079   \n",
+       "PreparationTutorialDataset_4080  PreparationTutorialDataset_4080   \n",
+       "PreparationTutorialDataset_4081  PreparationTutorialDataset_4081   \n",
+       "\n",
+       "                                 pchembl_value_Mean_original  \n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                         8.68  \n",
+       "PreparationTutorialDataset_0001                         4.82  \n",
+       "PreparationTutorialDataset_0002                         5.65  \n",
+       "PreparationTutorialDataset_0003                         5.45  \n",
+       "PreparationTutorialDataset_0004                         5.20  \n",
+       "...                                                      ...  \n",
+       "PreparationTutorialDataset_4077                         7.09  \n",
+       "PreparationTutorialDataset_4078                         8.22  \n",
+       "PreparationTutorialDataset_4079                         4.89  \n",
+       "PreparationTutorialDataset_4080                         6.51  \n",
+       "PreparationTutorialDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"PreparationTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You might have seen the preprocessing steps below in the quick_start or one of the other tutorials.\n",
+    "However, there are many more preprocessing options available in QSPRpred.\n",
+    "\n",
+    "The `QSPRData.prepareDataset` function allows you to specify a number of preprocessing steps,\n",
+    "which are then applied in a fixed order, although you can also use the individual preprocessing steps if\n",
+    "you want to have more control.\n",
+    "\n",
+    "In this tutorial we will go through the different preprocessing steps that are available in QSPRpred.\n",
+    "Some have their own dedicated tutorial, which will be linked to below.\n",
+    "\n",
+    "The preprocessing steps that `QSPRData.prepareDataset` applies are:\n",
+    "1. SMILES standardization\n",
+    "2. [feature calculation](descriptors.ipynb)\n",
+    "3. data filtering\n",
+    "4. fill missing feature values\n",
+    "5. [split into training and test set](data_splitting.ipynb)\n",
+    "6. feature selection\n",
+    "7. feature standardization\n",
+    "8. [outlier removal/applicability domain](applicability_domain.ipynb)\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## SMILES standardization\n",
+    "\n",
+    "The first step in the data preparation is to standardize the SMILES strings (`smiles_standardizer`).\n",
+    "By default the [ChEMBL structure pipeline](https://github.com/chembl/ChEMBL_Structure_Pipeline) is used for this, but you can also specify your own function.\n",
+    "\n",
+    "To use the default ChEMBL structure pipeline, you can pass `\"chembl\"` (default), if\n",
+    "you want to skip this step, you can pass None.\n",
+    "\n",
+    "To use your own function, you can pass a function that takes a SMILES string as input and returns a SMILES string as output.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>PreparationTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>PreparationTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                            SMILES  \\\n",
+       "QSPRID                                                                               \n",
+       "PreparationTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "PreparationTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
+       "PreparationTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "PreparationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "PreparationTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "\n",
+       "                                 pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                8.68  2008.0   \n",
+       "PreparationTutorialDataset_0001                4.82  2010.0   \n",
+       "PreparationTutorialDataset_0002                5.65  2009.0   \n",
+       "PreparationTutorialDataset_0003                5.45  2009.0   \n",
+       "PreparationTutorialDataset_0004                5.20  2019.0   \n",
+       "\n",
+       "                                                          QSPRID  \\\n",
+       "QSPRID                                                             \n",
+       "PreparationTutorialDataset_0000  PreparationTutorialDataset_0000   \n",
+       "PreparationTutorialDataset_0001  PreparationTutorialDataset_0001   \n",
+       "PreparationTutorialDataset_0002  PreparationTutorialDataset_0002   \n",
+       "PreparationTutorialDataset_0003  PreparationTutorialDataset_0003   \n",
+       "PreparationTutorialDataset_0004  PreparationTutorialDataset_0004   \n",
+       "\n",
+       "                                 pchembl_value_Mean_original  \n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                         8.68  \n",
+       "PreparationTutorialDataset_0001                         4.82  \n",
+       "PreparationTutorialDataset_0002                         5.65  \n",
+       "PreparationTutorialDataset_0003                         5.45  \n",
+       "PreparationTutorialDataset_0004                         5.20  "
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data.sampling.splits import RandomSplit\n",
+    "\n",
+    "# custom standardizer that canonicalizes the SMILES\n",
+    "def custom_standardizer(smiles):\n",
+    "    from rdkit import Chem\n",
+    "    mol = Chem.MolFromSmiles(smiles)\n",
+    "    smiles = Chem.MolToSmiles(mol, canonical=True)\n",
+    "    return smiles\n",
+    "\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    smiles_standardizer=custom_standardizer,\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Data filtering"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "A number of filters can be applied to the data to remove unwanted compounds.\n",
+    "By default, a filter to remove duplicates is applied (`RepeatsFilter`). It removes compounds that have duplicate descriptors.\n",
+    "\n",
+    "A number of other filters is available in QSPRpred, which can be used by passing a list of filter objects to the `filters` argument.\n",
+    "You can find all available filters in the [documentation](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.data.utils.html#module-qsprpred.data.utils.data_filters).\n",
+    "\n",
+    "Here, we will use the `RepeatsFilter` and the `CategoryFilter` to remove duplicates and compounds based on the value of a categorical feature."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "      <th>FakeProperty</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>PreparationTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>Nope</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>Nope</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>PreparationTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>Nope</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                            SMILES  \\\n",
+       "QSPRID                                                                               \n",
+       "PreparationTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "PreparationTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12...   \n",
+       "PreparationTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "PreparationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "PreparationTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "\n",
+       "                                 pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                8.68  2008.0   \n",
+       "PreparationTutorialDataset_0001                4.82  2010.0   \n",
+       "PreparationTutorialDataset_0002                5.65  2009.0   \n",
+       "PreparationTutorialDataset_0003                5.45  2009.0   \n",
+       "PreparationTutorialDataset_0004                5.20  2019.0   \n",
+       "\n",
+       "                                                          QSPRID  \\\n",
+       "QSPRID                                                             \n",
+       "PreparationTutorialDataset_0000  PreparationTutorialDataset_0000   \n",
+       "PreparationTutorialDataset_0001  PreparationTutorialDataset_0001   \n",
+       "PreparationTutorialDataset_0002  PreparationTutorialDataset_0002   \n",
+       "PreparationTutorialDataset_0003  PreparationTutorialDataset_0003   \n",
+       "PreparationTutorialDataset_0004  PreparationTutorialDataset_0004   \n",
+       "\n",
+       "                                 pchembl_value_Mean_original FakeProperty  \n",
+       "QSPRID                                                                     \n",
+       "PreparationTutorialDataset_0000                         8.68          Wow  \n",
+       "PreparationTutorialDataset_0001                         4.82         Nope  \n",
+       "PreparationTutorialDataset_0002                         5.65         Nope  \n",
+       "PreparationTutorialDataset_0003                         5.45          Wow  \n",
+       "PreparationTutorialDataset_0004                         5.20         Nope  "
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import numpy as np\n",
+    "\n",
+    "dataset.addProperty(name=\"FakeProperty\",\n",
+    "                    data=np.random.choice([\"Wow\", \"Nope\"], len(dataset)))\n",
+    "dataset.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "      <th>FakeProperty</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0000</th>\n",
+       "      <td>Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>PreparationTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0005</th>\n",
+       "      <td>Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21</td>\n",
+       "      <td>8.33</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>PreparationTutorialDataset_0005</td>\n",
+       "      <td>8.33</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0006</th>\n",
+       "      <td>Nc1nc(-c2ccccc2)cn2cc(-c3ccco3)nc12</td>\n",
+       "      <td>6.28</td>\n",
+       "      <td>2017.0</td>\n",
+       "      <td>PreparationTutorialDataset_0006</td>\n",
+       "      <td>6.28</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>PreparationTutorialDataset_0008</th>\n",
+       "      <td>N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N</td>\n",
+       "      <td>7.96</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>PreparationTutorialDataset_0008</td>\n",
+       "      <td>7.96</td>\n",
+       "      <td>Wow</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                            SMILES  \\\n",
+       "QSPRID                                                                               \n",
+       "PreparationTutorialDataset_0000  Cc1cc(C)n(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n...   \n",
+       "PreparationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCC...   \n",
+       "PreparationTutorialDataset_0005            Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21   \n",
+       "PreparationTutorialDataset_0006                Nc1nc(-c2ccccc2)cn2cc(-c3ccco3)nc12   \n",
+       "PreparationTutorialDataset_0008                  N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N   \n",
+       "\n",
+       "                                 pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                        \n",
+       "PreparationTutorialDataset_0000                8.68  2008.0   \n",
+       "PreparationTutorialDataset_0003                5.45  2009.0   \n",
+       "PreparationTutorialDataset_0005                8.33  2005.0   \n",
+       "PreparationTutorialDataset_0006                6.28  2017.0   \n",
+       "PreparationTutorialDataset_0008                7.96  2008.0   \n",
+       "\n",
+       "                                                          QSPRID  \\\n",
+       "QSPRID                                                             \n",
+       "PreparationTutorialDataset_0000  PreparationTutorialDataset_0000   \n",
+       "PreparationTutorialDataset_0003  PreparationTutorialDataset_0003   \n",
+       "PreparationTutorialDataset_0005  PreparationTutorialDataset_0005   \n",
+       "PreparationTutorialDataset_0006  PreparationTutorialDataset_0006   \n",
+       "PreparationTutorialDataset_0008  PreparationTutorialDataset_0008   \n",
+       "\n",
+       "                                 pchembl_value_Mean_original FakeProperty  \n",
+       "QSPRID                                                                     \n",
+       "PreparationTutorialDataset_0000                         8.68          Wow  \n",
+       "PreparationTutorialDataset_0003                         5.45          Wow  \n",
+       "PreparationTutorialDataset_0005                         8.33          Wow  \n",
+       "PreparationTutorialDataset_0006                         6.28          Wow  \n",
+       "PreparationTutorialDataset_0008                         7.96          Wow  "
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.processing.data_filters import RepeatsFilter, CategoryFilter\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    data_filters=[RepeatsFilter(keep=False),\n",
+    "                  CategoryFilter(name=\"FakeProperty\", values=[\"Wow\"], keep=True)],\n",
+    "    # only keep compounds with FakeProperty=\"Wow\"\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Filling missing features"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After feature calculation, some features might have missing values (not relevant for Morgan fingerprints).\n",
+    "By default, these are left as NaN, but you can also specify a value to fill them with."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    feature_fill_value=5,  # fill missing values with 5\n",
+    "    recalculate_features=True,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Feature selection"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After feature calculation, you might want to select a subset of features to use for modelling.\n",
+    "There are a number of feature selection methods available in QSPRpred, which can be used by passing a list of feature selection objects to the `feature_filters` argument.\n",
+    "\n",
+    "You can find an overview of available feature selection methods in the [documentation](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.data.utils.html#module-qsprpred.data.utils.featurefilters).\n",
+    "\n",
+    "\n",
+    "Here, we will use the `HighCorrelationFilter` to remove features that are highly correlated with each other."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of fingerprint bits after filtering: 2074\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data.processing.feature_filters import HighCorrelationFilter\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    "    feature_filters=[HighCorrelationFilter(th=0.95)]\n",
+    "    # remove features with correlation > 0.95\n",
+    ")\n",
+    "\n",
+    "print(f\"Number of fingerprint bits after filtering: {len(dataset.getDescriptors())}\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Feature standardization"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You can also specify scikit-learn feature standardization methods to apply to the features.\n",
+    "In this example we will use the scikit-learn `StandardScaler` to standardize the features.\n",
+    "Note. that this is not useful for Morgan fingerprints, but we will use it here for demonstration purposes."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from qsprpred.data.processing.feature_standardizers import SKLearnStandardizer\n",
+    "from sklearn.preprocessing import StandardScaler\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    "    feature_standardizer=SKLearnStandardizer(StandardScaler())  # standardize features\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now that you know how to use the different data preparation options, you can start preparing your own datasets.\n",
+    "If you want to collect your open-source data for your own project, we recommend you check out the [data collection tutorial](data_collection_with_papyrus.ipynb). This tutorial covers how to easily collect data from [Papyrus](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00672-x), a large-scale curated dataset aimed at bioactivity predictions. Of course, you can also use your own data, or data from other sources.\n",
+    "\n",
+    "If you have finished preparing your data set, and you are ready to start modelling, you can check out the [model assessment tutorial](model_assessment.ipynb) to learn more on how to train models in QSPRpred or the [classification tutorial](../modelling/classification.ipynb) if you want to learn more about classification modelling in QSPRpred."
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/data/data_representation.ipynb b/tutorials/basics/data/data_representation.ipynb
new file mode 100644
index 00000000..498dc30d
--- /dev/null
+++ b/tutorials/basics/data/data_representation.ipynb
@@ -0,0 +1,4472 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Data Representation\n",
+    "\n",
+    "In this tutorial, you will learn how datasets are represented in QSPRpred.\n",
+    "This will help you to understand how to use the datasets in the library."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Data Representation (`PandasDataTable`)\n",
+    "\n",
+    "The package basically uses wrapped `pandas.DataFrame` objects with some useful functions added on top to facilitate features relevant for QSPR modeling. The `PandasDataTable` class is the  base class of all data sets in QSPRpred. Wrapping a `pandas.DataFrame` is easy:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:11.270253633Z",
+     "start_time": "2024-01-17T09:48:10.946097527Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:58.192498Z",
+     "iopub.status.busy": "2023-09-21T15:40:58.192284Z",
+     "iopub.status.idle": "2023-09-21T15:40:58.411954Z",
+     "shell.execute_reply": "2023-09-21T15:40:58.411046Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                              SMILES  pchembl_value_Mean  \\\n",
+       "0  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...                8.68   \n",
+       "1  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...                4.82   \n",
+       "2   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1                5.65   \n",
+       "3  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...                5.45   \n",
+       "4  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...                5.20   \n",
+       "\n",
+       "     Year  \n",
+       "0  2008.0  \n",
+       "1  2010.0  \n",
+       "2  2009.0  \n",
+       "3  2009.0  \n",
+       "4  2019.0  "
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "df = pd.read_csv(\"../../tutorial_data/A2A_LIGANDS.tsv\", sep=\"\\t\")\n",
+    "\n",
+    "df.head()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.060992815Z",
+     "start_time": "2024-01-17T09:48:11.253693300Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:58.442281Z",
+     "iopub.status.busy": "2023-09-21T15:40:58.441291Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.022817Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.021985Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0000</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0002</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0003</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0004</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>RepresentationTutorialDataset_4077</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>RepresentationTutorialDataset_4078</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>RepresentationTutorialDataset_4079</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>RepresentationTutorialDataset_4080</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>RepresentationTutorialDataset_4081</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "RepresentationTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "RepresentationTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "RepresentationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "RepresentationTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "RepresentationTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "RepresentationTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "RepresentationTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                    pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                           \n",
+       "RepresentationTutorialDataset_0000                8.68  2008.0   \n",
+       "RepresentationTutorialDataset_0001                4.82  2010.0   \n",
+       "RepresentationTutorialDataset_0002                5.65  2009.0   \n",
+       "RepresentationTutorialDataset_0003                5.45  2009.0   \n",
+       "RepresentationTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                                ...     ...   \n",
+       "RepresentationTutorialDataset_4077                7.09  2018.0   \n",
+       "RepresentationTutorialDataset_4078                8.22  2008.0   \n",
+       "RepresentationTutorialDataset_4079                4.89  2010.0   \n",
+       "RepresentationTutorialDataset_4080                6.51  2013.0   \n",
+       "RepresentationTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                                QSPRID  \n",
+       "QSPRID                                                                  \n",
+       "RepresentationTutorialDataset_0000  RepresentationTutorialDataset_0000  \n",
+       "RepresentationTutorialDataset_0001  RepresentationTutorialDataset_0001  \n",
+       "RepresentationTutorialDataset_0002  RepresentationTutorialDataset_0002  \n",
+       "RepresentationTutorialDataset_0003  RepresentationTutorialDataset_0003  \n",
+       "RepresentationTutorialDataset_0004  RepresentationTutorialDataset_0004  \n",
+       "...                                                                ...  \n",
+       "RepresentationTutorialDataset_4077  RepresentationTutorialDataset_4077  \n",
+       "RepresentationTutorialDataset_4078  RepresentationTutorialDataset_4078  \n",
+       "RepresentationTutorialDataset_4079  RepresentationTutorialDataset_4079  \n",
+       "RepresentationTutorialDataset_4080  RepresentationTutorialDataset_4080  \n",
+       "RepresentationTutorialDataset_4081  RepresentationTutorialDataset_4081  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.tables.pandas import PandasDataTable\n",
+    "import os\n",
+    "\n",
+    "random_state = 42\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "dataset = PandasDataTable(df=df, store_dir=\"../../tutorial_output/data\",\n",
+    "                          name=\"RepresentationTutorialDataset\",\n",
+    "                          random_state=random_state)\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You can query this data set directly for simple information like the number of samples:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.063130792Z",
+     "start_time": "2024-01-17T09:48:12.007530814Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.026127Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.025578Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.031057Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.030006Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "4082"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "len(dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "the saved properties/features:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.064535005Z",
+     "start_time": "2024-01-17T09:48:12.008118663Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.034372Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.033863Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.041678Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.040758Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Index(['SMILES', 'pchembl_value_Mean', 'Year', 'QSPRID'], dtype='object')"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getProperties()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You can also do some operations on the data frame, like shuffle it:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.078694582Z",
+     "start_time": "2024-01-17T09:48:12.008618385Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.044194Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.043961Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.050633Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.049533Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0599</th>\n",
+       "      <td>CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1</td>\n",
+       "      <td>5.77</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0599</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0752</th>\n",
+       "      <td>CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O</td>\n",
+       "      <td>6.64</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0752</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1954</th>\n",
+       "      <td>COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21</td>\n",
+       "      <td>7.88</td>\n",
+       "      <td>2015.0</td>\n",
+       "      <td>RepresentationTutorialDataset_1954</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2928</th>\n",
+       "      <td>COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>RepresentationTutorialDataset_2928</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2512</th>\n",
+       "      <td>COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1</td>\n",
+       "      <td>7.01</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>RepresentationTutorialDataset_2512</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1130</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...</td>\n",
+       "      <td>6.03</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>RepresentationTutorialDataset_1130</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1294</th>\n",
+       "      <td>CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...</td>\n",
+       "      <td>6.65</td>\n",
+       "      <td>2003.0</td>\n",
+       "      <td>RepresentationTutorialDataset_1294</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0860</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...</td>\n",
+       "      <td>7.28</td>\n",
+       "      <td>2015.0</td>\n",
+       "      <td>RepresentationTutorialDataset_0860</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3507</th>\n",
+       "      <td>CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O</td>\n",
+       "      <td>5.97</td>\n",
+       "      <td>2017.0</td>\n",
+       "      <td>RepresentationTutorialDataset_3507</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3174</th>\n",
+       "      <td>Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>8.48</td>\n",
+       "      <td>1998.0</td>\n",
+       "      <td>RepresentationTutorialDataset_3174</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0599                CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1   \n",
+       "RepresentationTutorialDataset_0752      CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O   \n",
+       "RepresentationTutorialDataset_1954  COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21   \n",
+       "RepresentationTutorialDataset_2928          COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1   \n",
+       "RepresentationTutorialDataset_2512   COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_1130  CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...   \n",
+       "RepresentationTutorialDataset_1294  CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...   \n",
+       "RepresentationTutorialDataset_0860  CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...   \n",
+       "RepresentationTutorialDataset_3507        CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_3174    Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12   \n",
+       "\n",
+       "                                    pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                           \n",
+       "RepresentationTutorialDataset_0599                5.77  2018.0   \n",
+       "RepresentationTutorialDataset_0752                6.64  2006.0   \n",
+       "RepresentationTutorialDataset_1954                7.88  2015.0   \n",
+       "RepresentationTutorialDataset_2928                6.94  2013.0   \n",
+       "RepresentationTutorialDataset_2512                7.01  2010.0   \n",
+       "...                                                ...     ...   \n",
+       "RepresentationTutorialDataset_1130                6.03  2006.0   \n",
+       "RepresentationTutorialDataset_1294                6.65  2003.0   \n",
+       "RepresentationTutorialDataset_0860                7.28  2015.0   \n",
+       "RepresentationTutorialDataset_3507                5.97  2017.0   \n",
+       "RepresentationTutorialDataset_3174                8.48  1998.0   \n",
+       "\n",
+       "                                                                QSPRID  \n",
+       "QSPRID                                                                  \n",
+       "RepresentationTutorialDataset_0599  RepresentationTutorialDataset_0599  \n",
+       "RepresentationTutorialDataset_0752  RepresentationTutorialDataset_0752  \n",
+       "RepresentationTutorialDataset_1954  RepresentationTutorialDataset_1954  \n",
+       "RepresentationTutorialDataset_2928  RepresentationTutorialDataset_2928  \n",
+       "RepresentationTutorialDataset_2512  RepresentationTutorialDataset_2512  \n",
+       "...                                                                ...  \n",
+       "RepresentationTutorialDataset_1130  RepresentationTutorialDataset_1130  \n",
+       "RepresentationTutorialDataset_1294  RepresentationTutorialDataset_1294  \n",
+       "RepresentationTutorialDataset_0860  RepresentationTutorialDataset_0860  \n",
+       "RepresentationTutorialDataset_3507  RepresentationTutorialDataset_3507  \n",
+       "RepresentationTutorialDataset_3174  RepresentationTutorialDataset_3174  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.shuffle()\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "or fetch, drop and add some columns:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.080759708Z",
+     "start_time": "2024-01-17T09:48:12.009799149Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "QSPRID\n",
+       "RepresentationTutorialDataset_0599    2018.0\n",
+       "RepresentationTutorialDataset_0752    2006.0\n",
+       "RepresentationTutorialDataset_1954    2015.0\n",
+       "RepresentationTutorialDataset_2928    2013.0\n",
+       "RepresentationTutorialDataset_2512    2010.0\n",
+       "                                       ...  \n",
+       "RepresentationTutorialDataset_1130    2006.0\n",
+       "RepresentationTutorialDataset_1294    2003.0\n",
+       "RepresentationTutorialDataset_0860    2015.0\n",
+       "RepresentationTutorialDataset_3507    2017.0\n",
+       "RepresentationTutorialDataset_3174    1998.0\n",
+       "Name: Year, Length: 4082, dtype: float64"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "Index(['SMILES', 'pchembl_value_Mean', 'QSPRID'], dtype='object')"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "Index(['SMILES', 'pchembl_value_Mean', 'QSPRID', 'Year'], dtype='object')"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "# get\n",
+    "year = dataset.getProperty(\"Year\")\n",
+    "display(year)\n",
+    "# drop\n",
+    "dataset.removeProperty(\"Year\")\n",
+    "display(dataset.getProperties())\n",
+    "# set\n",
+    "dataset.addProperty(\"Year\", year)\n",
+    "display(dataset.getProperties())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "However, you can always access the underlying data frame if more complex operations are needed:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.185422693Z",
+     "start_time": "2024-01-17T09:48:12.066745063Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.063647Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.062730Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.103716Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.102729Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0599</th>\n",
+       "      <td>CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1</td>\n",
+       "      <td>5.77</td>\n",
+       "      <td>RepresentationTutorialDataset_0599</td>\n",
+       "      <td>2018.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0752</th>\n",
+       "      <td>CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O</td>\n",
+       "      <td>6.64</td>\n",
+       "      <td>RepresentationTutorialDataset_0752</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1954</th>\n",
+       "      <td>COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21</td>\n",
+       "      <td>7.88</td>\n",
+       "      <td>RepresentationTutorialDataset_1954</td>\n",
+       "      <td>2015.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2928</th>\n",
+       "      <td>COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_2928</td>\n",
+       "      <td>2013.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2512</th>\n",
+       "      <td>COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1</td>\n",
+       "      <td>7.01</td>\n",
+       "      <td>RepresentationTutorialDataset_2512</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1130</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...</td>\n",
+       "      <td>6.03</td>\n",
+       "      <td>RepresentationTutorialDataset_1130</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1294</th>\n",
+       "      <td>CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...</td>\n",
+       "      <td>6.65</td>\n",
+       "      <td>RepresentationTutorialDataset_1294</td>\n",
+       "      <td>2003.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0860</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...</td>\n",
+       "      <td>7.28</td>\n",
+       "      <td>RepresentationTutorialDataset_0860</td>\n",
+       "      <td>2015.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3507</th>\n",
+       "      <td>CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O</td>\n",
+       "      <td>5.97</td>\n",
+       "      <td>RepresentationTutorialDataset_3507</td>\n",
+       "      <td>2017.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3174</th>\n",
+       "      <td>Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>8.48</td>\n",
+       "      <td>RepresentationTutorialDataset_3174</td>\n",
+       "      <td>1998.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0599                CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1   \n",
+       "RepresentationTutorialDataset_0752      CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O   \n",
+       "RepresentationTutorialDataset_1954  COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21   \n",
+       "RepresentationTutorialDataset_2928          COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1   \n",
+       "RepresentationTutorialDataset_2512   COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_1130  CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...   \n",
+       "RepresentationTutorialDataset_1294  CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...   \n",
+       "RepresentationTutorialDataset_0860  CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...   \n",
+       "RepresentationTutorialDataset_3507        CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_3174    Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0599                5.77   \n",
+       "RepresentationTutorialDataset_0752                6.64   \n",
+       "RepresentationTutorialDataset_1954                7.88   \n",
+       "RepresentationTutorialDataset_2928                6.94   \n",
+       "RepresentationTutorialDataset_2512                7.01   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_1130                6.03   \n",
+       "RepresentationTutorialDataset_1294                6.65   \n",
+       "RepresentationTutorialDataset_0860                7.28   \n",
+       "RepresentationTutorialDataset_3507                5.97   \n",
+       "RepresentationTutorialDataset_3174                8.48   \n",
+       "\n",
+       "                                                                QSPRID    Year  \n",
+       "QSPRID                                                                          \n",
+       "RepresentationTutorialDataset_0599  RepresentationTutorialDataset_0599  2018.0  \n",
+       "RepresentationTutorialDataset_0752  RepresentationTutorialDataset_0752  2006.0  \n",
+       "RepresentationTutorialDataset_1954  RepresentationTutorialDataset_1954  2015.0  \n",
+       "RepresentationTutorialDataset_2928  RepresentationTutorialDataset_2928  2013.0  \n",
+       "RepresentationTutorialDataset_2512  RepresentationTutorialDataset_2512  2010.0  \n",
+       "...                                                                ...     ...  \n",
+       "RepresentationTutorialDataset_1130  RepresentationTutorialDataset_1130  2006.0  \n",
+       "RepresentationTutorialDataset_1294  RepresentationTutorialDataset_1294  2003.0  \n",
+       "RepresentationTutorialDataset_0860  RepresentationTutorialDataset_0860  2015.0  \n",
+       "RepresentationTutorialDataset_3507  RepresentationTutorialDataset_3507  2017.0  \n",
+       "RepresentationTutorialDataset_3174  RepresentationTutorialDataset_3174  1998.0  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "df = dataset.getDF()\n",
+    "df"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "It is always possible to wrap it again:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.196424191Z",
+     "start_time": "2024-01-17T09:48:12.089038322Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.106994Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.106448Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.119225Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.118122Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<qsprpred.data.tables.pandas.PandasDataTable at 0x7fa57a3b9d50>"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset = PandasDataTable(df=df, store_dir=\"../../tutorial_output/data/\",\n",
+    "                          name=\"RepresentationTutorialDataset\",\n",
+    "                          random_state=random_state)\n",
+    "dataset"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.246765813Z",
+     "start_time": "2024-01-17T09:48:12.106010534Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.122763Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.121997Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.154494Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.153657Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "      <td>CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1</td>\n",
+       "      <td>5.77</td>\n",
+       "      <td>RepresentationTutorialDataset_0000</td>\n",
+       "      <td>2018.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O</td>\n",
+       "      <td>6.64</td>\n",
+       "      <td>RepresentationTutorialDataset_0001</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "      <td>COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21</td>\n",
+       "      <td>7.88</td>\n",
+       "      <td>RepresentationTutorialDataset_0002</td>\n",
+       "      <td>2015.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "      <td>COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0003</td>\n",
+       "      <td>2013.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "      <td>COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1</td>\n",
+       "      <td>7.01</td>\n",
+       "      <td>RepresentationTutorialDataset_0004</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4077</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...</td>\n",
+       "      <td>6.03</td>\n",
+       "      <td>RepresentationTutorialDataset_4077</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4078</th>\n",
+       "      <td>CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...</td>\n",
+       "      <td>6.65</td>\n",
+       "      <td>RepresentationTutorialDataset_4078</td>\n",
+       "      <td>2003.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4079</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...</td>\n",
+       "      <td>7.28</td>\n",
+       "      <td>RepresentationTutorialDataset_4079</td>\n",
+       "      <td>2015.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4080</th>\n",
+       "      <td>CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O</td>\n",
+       "      <td>5.97</td>\n",
+       "      <td>RepresentationTutorialDataset_4080</td>\n",
+       "      <td>2017.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4081</th>\n",
+       "      <td>Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>8.48</td>\n",
+       "      <td>RepresentationTutorialDataset_4081</td>\n",
+       "      <td>1998.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000                CCCn1c(-c2ccccc2)nc2c1ncnc2NC1CCOC1   \n",
+       "RepresentationTutorialDataset_0001      CCCn1c(=O)c2c([nH]c(-c3c[nH]nc3)n2)n(CCC)c1=O   \n",
+       "RepresentationTutorialDataset_0002  COc1cccc2c1nc(N)n1nc(CN3CCN(c4ncc(F)cc4)CC3C)nc21   \n",
+       "RepresentationTutorialDataset_0003          COc1cccc(CCCC(=O)Nc2nc3c(cccc3)c(=O)s2)c1   \n",
+       "RepresentationTutorialDataset_0004   COc1c2nc(NC(=O)c3ccc(F)cc3)sc2c(N(CCO)C(C)=O)cc1   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077  CCNC(=O)C1OC(n2cnc3c2nc(C#CC2(O)CCCC2)nc3NCC)C...   \n",
+       "RepresentationTutorialDataset_4078  CNC(=O)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O...   \n",
+       "RepresentationTutorialDataset_4079  CCNC(=O)C1OC(n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)O...   \n",
+       "RepresentationTutorialDataset_4080        CNC(=O)C1[Se]C(n2cnc3c2ncnc3NC2CCC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_4081    Nc1nc2c(cnn2CCCc2ccc3OCOc3c2)c2nc(-c3ccco3)nn12   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0000                5.77   \n",
+       "RepresentationTutorialDataset_0001                6.64   \n",
+       "RepresentationTutorialDataset_0002                7.88   \n",
+       "RepresentationTutorialDataset_0003                6.94   \n",
+       "RepresentationTutorialDataset_0004                7.01   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_4077                6.03   \n",
+       "RepresentationTutorialDataset_4078                6.65   \n",
+       "RepresentationTutorialDataset_4079                7.28   \n",
+       "RepresentationTutorialDataset_4080                5.97   \n",
+       "RepresentationTutorialDataset_4081                8.48   \n",
+       "\n",
+       "                                                                QSPRID    Year  \n",
+       "QSPRID                                                                          \n",
+       "RepresentationTutorialDataset_0000  RepresentationTutorialDataset_0000  2018.0  \n",
+       "RepresentationTutorialDataset_0001  RepresentationTutorialDataset_0001  2006.0  \n",
+       "RepresentationTutorialDataset_0002  RepresentationTutorialDataset_0002  2015.0  \n",
+       "RepresentationTutorialDataset_0003  RepresentationTutorialDataset_0003  2013.0  \n",
+       "RepresentationTutorialDataset_0004  RepresentationTutorialDataset_0004  2010.0  \n",
+       "...                                                                ...     ...  \n",
+       "RepresentationTutorialDataset_4077  RepresentationTutorialDataset_4077  2006.0  \n",
+       "RepresentationTutorialDataset_4078  RepresentationTutorialDataset_4078  2003.0  \n",
+       "RepresentationTutorialDataset_4079  RepresentationTutorialDataset_4079  2015.0  \n",
+       "RepresentationTutorialDataset_4080  RepresentationTutorialDataset_4080  2017.0  \n",
+       "RepresentationTutorialDataset_4081  RepresentationTutorialDataset_4081  1998.0  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Data Indexing\n",
+    "\n",
+    "You might have noticed that when recreated again from a new data frame the \"QSPRID\" column was reset while the data still remained in the same order as after shuffling. This is because index gets automatically reset when a new `PandasDataTable` object is created. However, you can always set the index to a specific column when creating the data set:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.248406677Z",
+     "start_time": "2024-01-17T09:48:12.146953129Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.158700Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.157748Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.192662Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.191481Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0599</th>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1</td>\n",
+       "      <td>5.28</td>\n",
+       "      <td>RepresentationTutorialDataset_0599</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0752</th>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0752</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1954</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td>7.23</td>\n",
+       "      <td>RepresentationTutorialDataset_1954</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2928</th>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O</td>\n",
+       "      <td>5.01</td>\n",
+       "      <td>RepresentationTutorialDataset_2928</td>\n",
+       "      <td>2007.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2512</th>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td>5.37</td>\n",
+       "      <td>RepresentationTutorialDataset_2512</td>\n",
+       "      <td>2018.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1130</th>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td>5.78</td>\n",
+       "      <td>RepresentationTutorialDataset_1130</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1294</th>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td>6.26</td>\n",
+       "      <td>RepresentationTutorialDataset_1294</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0860</th>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2</td>\n",
+       "      <td>6.30</td>\n",
+       "      <td>RepresentationTutorialDataset_0860</td>\n",
+       "      <td>2012.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3507</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1</td>\n",
+       "      <td>6.57</td>\n",
+       "      <td>RepresentationTutorialDataset_3507</td>\n",
+       "      <td>2005.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3174</th>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td>6.42</td>\n",
+       "      <td>RepresentationTutorialDataset_3174</td>\n",
+       "      <td>2020.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0599      Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1   \n",
+       "RepresentationTutorialDataset_0752         CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "RepresentationTutorialDataset_1954  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_2928               OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_2512  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_1130  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_1294  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_0860                   COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2   \n",
+       "RepresentationTutorialDataset_3507               Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_3174  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0599                5.28   \n",
+       "RepresentationTutorialDataset_0752                6.94   \n",
+       "RepresentationTutorialDataset_1954                7.23   \n",
+       "RepresentationTutorialDataset_2928                5.01   \n",
+       "RepresentationTutorialDataset_2512                5.37   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_1130                5.78   \n",
+       "RepresentationTutorialDataset_1294                6.26   \n",
+       "RepresentationTutorialDataset_0860                6.30   \n",
+       "RepresentationTutorialDataset_3507                6.57   \n",
+       "RepresentationTutorialDataset_3174                6.42   \n",
+       "\n",
+       "                                                                QSPRID    Year  \n",
+       "QSPRID                                                                          \n",
+       "RepresentationTutorialDataset_0599  RepresentationTutorialDataset_0599  2006.0  \n",
+       "RepresentationTutorialDataset_0752  RepresentationTutorialDataset_0752  2009.0  \n",
+       "RepresentationTutorialDataset_1954  RepresentationTutorialDataset_1954  2006.0  \n",
+       "RepresentationTutorialDataset_2928  RepresentationTutorialDataset_2928  2007.0  \n",
+       "RepresentationTutorialDataset_2512  RepresentationTutorialDataset_2512  2018.0  \n",
+       "...                                                                ...     ...  \n",
+       "RepresentationTutorialDataset_1130  RepresentationTutorialDataset_1130  2010.0  \n",
+       "RepresentationTutorialDataset_1294  RepresentationTutorialDataset_1294  2006.0  \n",
+       "RepresentationTutorialDataset_0860  RepresentationTutorialDataset_0860  2012.0  \n",
+       "RepresentationTutorialDataset_3507  RepresentationTutorialDataset_3507  2005.0  \n",
+       "RepresentationTutorialDataset_3174  RepresentationTutorialDataset_3174  2020.0  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.shuffle()\n",
+    "df = dataset.getDF()\n",
+    "df"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.249994896Z",
+     "start_time": "2024-01-17T09:48:12.147520134Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.195569Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.195084Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.230080Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.229190Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0599</th>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1</td>\n",
+       "      <td>5.28</td>\n",
+       "      <td>RepresentationTutorialDataset_0599</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0752</th>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0752</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1954</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td>7.23</td>\n",
+       "      <td>RepresentationTutorialDataset_1954</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2928</th>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O</td>\n",
+       "      <td>5.01</td>\n",
+       "      <td>RepresentationTutorialDataset_2928</td>\n",
+       "      <td>2007.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2512</th>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td>5.37</td>\n",
+       "      <td>RepresentationTutorialDataset_2512</td>\n",
+       "      <td>2018.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1130</th>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td>5.78</td>\n",
+       "      <td>RepresentationTutorialDataset_1130</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1294</th>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td>6.26</td>\n",
+       "      <td>RepresentationTutorialDataset_1294</td>\n",
+       "      <td>2006.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0860</th>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2</td>\n",
+       "      <td>6.30</td>\n",
+       "      <td>RepresentationTutorialDataset_0860</td>\n",
+       "      <td>2012.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3507</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1</td>\n",
+       "      <td>6.57</td>\n",
+       "      <td>RepresentationTutorialDataset_3507</td>\n",
+       "      <td>2005.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3174</th>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td>6.42</td>\n",
+       "      <td>RepresentationTutorialDataset_3174</td>\n",
+       "      <td>2020.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0599      Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1   \n",
+       "RepresentationTutorialDataset_0752         CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "RepresentationTutorialDataset_1954  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_2928               OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_2512  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_1130  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_1294  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_0860                   COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2   \n",
+       "RepresentationTutorialDataset_3507               Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_3174  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0599                5.28   \n",
+       "RepresentationTutorialDataset_0752                6.94   \n",
+       "RepresentationTutorialDataset_1954                7.23   \n",
+       "RepresentationTutorialDataset_2928                5.01   \n",
+       "RepresentationTutorialDataset_2512                5.37   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_1130                5.78   \n",
+       "RepresentationTutorialDataset_1294                6.26   \n",
+       "RepresentationTutorialDataset_0860                6.30   \n",
+       "RepresentationTutorialDataset_3507                6.57   \n",
+       "RepresentationTutorialDataset_3174                6.42   \n",
+       "\n",
+       "                                                                QSPRID    Year  \n",
+       "QSPRID                                                                          \n",
+       "RepresentationTutorialDataset_0599  RepresentationTutorialDataset_0599  2006.0  \n",
+       "RepresentationTutorialDataset_0752  RepresentationTutorialDataset_0752  2009.0  \n",
+       "RepresentationTutorialDataset_1954  RepresentationTutorialDataset_1954  2006.0  \n",
+       "RepresentationTutorialDataset_2928  RepresentationTutorialDataset_2928  2007.0  \n",
+       "RepresentationTutorialDataset_2512  RepresentationTutorialDataset_2512  2018.0  \n",
+       "...                                                                ...     ...  \n",
+       "RepresentationTutorialDataset_1130  RepresentationTutorialDataset_1130  2010.0  \n",
+       "RepresentationTutorialDataset_1294  RepresentationTutorialDataset_1294  2006.0  \n",
+       "RepresentationTutorialDataset_0860  RepresentationTutorialDataset_0860  2012.0  \n",
+       "RepresentationTutorialDataset_3507  RepresentationTutorialDataset_3507  2005.0  \n",
+       "RepresentationTutorialDataset_3174  RepresentationTutorialDataset_3174  2020.0  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset = PandasDataTable(df=df, store_dir=\"../../tutorial_output/data\",\n",
+    "                          name=\"RepresentationTutorialDataset\", index_cols=[\"QSPRID\"],\n",
+    "                          random_state=random_state)\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Being aware of the index will help you track down the compounds and associated data further down the line. You can always reset the index to a custom column as well:"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "or even use multiple columns as index:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.279458675Z",
+     "start_time": "2024-01-17T09:48:12.179078759Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:40:59.245577Z",
+     "iopub.status.busy": "2023-09-21T15:40:59.245078Z",
+     "iopub.status.idle": "2023-09-21T15:40:59.268198Z",
+     "shell.execute_reply": "2023-09-21T15:40:59.266854Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "Index(['Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~RepresentationTutorialDataset_0599',\n",
+       "       'CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~RepresentationTutorialDataset_0752',\n",
+       "       'CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)C(O)C1O~RepresentationTutorialDataset_1954',\n",
+       "       'OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~RepresentationTutorialDataset_2928',\n",
+       "       'Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(Nc3c(F)cc(Cl)cc3)n2)cc(C)c1~RepresentationTutorialDataset_2512',\n",
+       "       'CCNC(=O)C1OC(n2cnc3c2nc(Cl)nc3NNC(=O)c2cccs2)C(O)C1O~RepresentationTutorialDataset_2289',\n",
+       "       'CCC(=O)Nc1nc(-c2ccc3OCOc3c2)nc(-c2cc3c(cc2)OCO3)c1~RepresentationTutorialDataset_0682',\n",
+       "       'COc1c2cccc(CNC(=O)c3nc(N)nc4c(F)cccc34)c2ncc1~RepresentationTutorialDataset_0325',\n",
+       "       'COc1cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)cc(OC)c1~RepresentationTutorialDataset_0166',\n",
+       "       'Cc1nc(CNC(=O)c2nc(N)nc(-c3ccc(C)o3)c2)ccc1~RepresentationTutorialDataset_3389',\n",
+       "       ...\n",
+       "       'Cc1nn(-c2nc(-c3ccccn3)nc(NC(=O)CN3CCN(C)CC3)c2)c(C)c1~RepresentationTutorialDataset_2169',\n",
+       "       'Nc1c2cc(-c3ccccc3)sc2nc(-c2ccccc2)n1~RepresentationTutorialDataset_1638',\n",
+       "       'Nc1nc(-c2ccccc2)c(-c2cc(C3CC3)ncc2)cn1~RepresentationTutorialDataset_3092',\n",
+       "       'Oc1nc2c(nc(-c3ccccc3)cc2-c2ccccc2)[nH]1~RepresentationTutorialDataset_3772',\n",
+       "       'Cc1nn(-c2nc(-c3ccc(C)o3)nc(NC(=O)COc3cc(CN4CCOCC4)ccc3)c2)c(C)c1~RepresentationTutorialDataset_1095',\n",
+       "       'CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)C(O)C3O)c(NCC(c3ccccc3)c3ccccc3)n2)c1~RepresentationTutorialDataset_1130',\n",
+       "       'O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc2)C(O)C1O~RepresentationTutorialDataset_1294',\n",
+       "       'COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~RepresentationTutorialDataset_0860',\n",
+       "       'Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~RepresentationTutorialDataset_3507',\n",
+       "       'Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)OC(C)(C)C)cc1)n1nc(-c3ccco3)nc21~RepresentationTutorialDataset_3174'],\n",
+       "      dtype='object', name='SMILES~QSPRID', length=4082)"
+      ]
+     },
+     "execution_count": 12,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset.setIndex([\"SMILES\", \"QSPRID\"])\n",
+    "dataset.getDF().index"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Parallelization\n",
+    "\n",
+    "The `PandasDataTable` class also provides a simple way to parallelize operations on the data frame. You can easily apply a function to all rows of the data frame in parallel. See the [advanced tutorial dedicated to this feature](../../advanced/data/parallelization.ipynb) for more details. "
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Saving and Loading\n",
+    "\n",
+    "The `PandasDataTable` class also provides a simple way to save and load data sets. You can save the data set and any associated data to a directory. By default this is the current directory, but you can specify a different directory upon creation of the data set:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.280797137Z",
+     "start_time": "2024-01-17T09:48:12.223390081Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:13.669645Z",
+     "iopub.status.busy": "2023-09-21T15:41:13.669383Z",
+     "iopub.status.idle": "2023-09-21T15:41:13.682232Z",
+     "shell.execute_reply": "2023-09-21T15:41:13.681377Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "dataset = PandasDataTable(df=df, store_dir=\"../../tutorial_output/data/\",\n",
+    "                          name=\"RepresentationTutorialDataset\", index_cols=[\"QSPRID\"],\n",
+    "                          random_state=random_state)\n",
+    "_ = dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Reloading the data set is easy as well. We just use its name to initialize a new `PandasDataTable` object:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:12.282386520Z",
+     "start_time": "2024-01-17T09:48:12.223874260Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:13.685103Z",
+     "iopub.status.busy": "2023-09-21T15:41:13.684663Z",
+     "iopub.status.idle": "2023-09-21T15:41:13.718541Z",
+     "shell.execute_reply": "2023-09-21T15:41:13.717681Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>SMILES~QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0599</th>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1</td>\n",
+       "      <td>5.28</td>\n",
+       "      <td>RepresentationTutorialDataset_0599</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0752</th>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0752</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1954</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td>7.23</td>\n",
+       "      <td>RepresentationTutorialDataset_1954</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2928</th>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O</td>\n",
+       "      <td>5.01</td>\n",
+       "      <td>RepresentationTutorialDataset_2928</td>\n",
+       "      <td>2007.0</td>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_2512</th>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td>5.37</td>\n",
+       "      <td>RepresentationTutorialDataset_2512</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1130</th>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td>5.78</td>\n",
+       "      <td>RepresentationTutorialDataset_1130</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_1294</th>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td>6.26</td>\n",
+       "      <td>RepresentationTutorialDataset_1294</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0860</th>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2</td>\n",
+       "      <td>6.30</td>\n",
+       "      <td>RepresentationTutorialDataset_0860</td>\n",
+       "      <td>2012.0</td>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3507</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1</td>\n",
+       "      <td>6.57</td>\n",
+       "      <td>RepresentationTutorialDataset_3507</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_3174</th>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td>6.42</td>\n",
+       "      <td>RepresentationTutorialDataset_3174</td>\n",
+       "      <td>2020.0</td>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0599      Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1   \n",
+       "RepresentationTutorialDataset_0752         CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "RepresentationTutorialDataset_1954  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_2928               OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_2512  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_1130  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_1294  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_0860                   COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2   \n",
+       "RepresentationTutorialDataset_3507               Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_3174  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0599                5.28   \n",
+       "RepresentationTutorialDataset_0752                6.94   \n",
+       "RepresentationTutorialDataset_1954                7.23   \n",
+       "RepresentationTutorialDataset_2928                5.01   \n",
+       "RepresentationTutorialDataset_2512                5.37   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_1130                5.78   \n",
+       "RepresentationTutorialDataset_1294                6.26   \n",
+       "RepresentationTutorialDataset_0860                6.30   \n",
+       "RepresentationTutorialDataset_3507                6.57   \n",
+       "RepresentationTutorialDataset_3174                6.42   \n",
+       "\n",
+       "                                                                QSPRID  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0599  RepresentationTutorialDataset_0599   \n",
+       "RepresentationTutorialDataset_0752  RepresentationTutorialDataset_0752   \n",
+       "RepresentationTutorialDataset_1954  RepresentationTutorialDataset_1954   \n",
+       "RepresentationTutorialDataset_2928  RepresentationTutorialDataset_2928   \n",
+       "RepresentationTutorialDataset_2512  RepresentationTutorialDataset_2512   \n",
+       "...                                                                ...   \n",
+       "RepresentationTutorialDataset_1130  RepresentationTutorialDataset_1130   \n",
+       "RepresentationTutorialDataset_1294  RepresentationTutorialDataset_1294   \n",
+       "RepresentationTutorialDataset_0860  RepresentationTutorialDataset_0860   \n",
+       "RepresentationTutorialDataset_3507  RepresentationTutorialDataset_3507   \n",
+       "RepresentationTutorialDataset_3174  RepresentationTutorialDataset_3174   \n",
+       "\n",
+       "                                      Year  \\\n",
+       "QSPRID                                       \n",
+       "RepresentationTutorialDataset_0599  2006.0   \n",
+       "RepresentationTutorialDataset_0752  2009.0   \n",
+       "RepresentationTutorialDataset_1954  2006.0   \n",
+       "RepresentationTutorialDataset_2928  2007.0   \n",
+       "RepresentationTutorialDataset_2512  2018.0   \n",
+       "...                                    ...   \n",
+       "RepresentationTutorialDataset_1130  2010.0   \n",
+       "RepresentationTutorialDataset_1294  2006.0   \n",
+       "RepresentationTutorialDataset_0860  2012.0   \n",
+       "RepresentationTutorialDataset_3507  2005.0   \n",
+       "RepresentationTutorialDataset_3174  2020.0   \n",
+       "\n",
+       "                                                                        SMILES~QSPRID  \n",
+       "QSPRID                                                                                 \n",
+       "RepresentationTutorialDataset_0599  Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...  \n",
+       "RepresentationTutorialDataset_0752  CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...  \n",
+       "RepresentationTutorialDataset_1954  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...  \n",
+       "RepresentationTutorialDataset_2928  OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...  \n",
+       "RepresentationTutorialDataset_2512  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...  \n",
+       "...                                                                               ...  \n",
+       "RepresentationTutorialDataset_1130  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...  \n",
+       "RepresentationTutorialDataset_1294  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...  \n",
+       "RepresentationTutorialDataset_0860  COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...  \n",
+       "RepresentationTutorialDataset_3507  Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...  \n",
+       "RepresentationTutorialDataset_3174  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset = PandasDataTable(name=\"RepresentationTutorialDataset\",\n",
+    "                          store_dir=\"../../tutorial_output/data/\")\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Data Representation (`MoleculeTable`)\n",
+    "\n",
+    "Next extension of the `PandasDataTable` class is the `MoleculeTable` class. While `PandasDataTable` is a completely general class that can be used for any data set, `MoleculeTable` is specifically designed for data sets that contain molecular structures. It is a subclass of `PandasDataTable` and adds some useful functions for molecules. For example, you can easily convert the SMILES strings to RDKit molecules in your table:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:14.080351244Z",
+     "start_time": "2024-01-17T09:48:12.229962706Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:13.721410Z",
+     "iopub.status.busy": "2023-09-21T15:41:13.721173Z",
+     "iopub.status.idle": "2023-09-21T15:41:16.419415Z",
+     "shell.execute_reply": "2023-09-21T15:41:16.418524Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/home/helle/.conda/envs/test_qsprpred/lib/python3.10/site-packages/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.\n",
+      "  for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>SMILES~QSPRID</th>\n",
+       "      <th>RDMol</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1</td>\n",
+       "      <td>5.28</td>\n",
+       "      <td>RepresentationTutorialDataset_0000</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0001</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td>7.23</td>\n",
+       "      <td>RepresentationTutorialDataset_0002</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAgAElEQVR4nO2deVxU5ffHP8MAwyqyM2ymVoJLIYqWoOaCK+5lGbmhgitupGYLZGXmSiZmiyRuqPW1TBMTyQz7UeKCaCqCkjAwjAKC7Awz5/fHnSYzQmTunTuM9/3qxWuamXvOUT8897nP85xzREQEAQG2MeE7AAHjRBCWACcIwhLgBEFYApwgCEuAEwRhCXCCICwBThCEJcAJgrAEOEEQlgAnCMIS4ARTvgN4BBoaGhQKhUwmO336tIWFRUREhKlpa4r/sUJkaJvQNTU1crm8sLBQLpffvHmTecH8zMvLa2ho0H6zc+fOf/zxB4+hCjQBn8LKzMxcs2aNu7t7UVFRfn6+XC6XyWQ1NTX/9X2RSOTm5iaVStVqdWZmplqt3r17d2hoqD5jFmgmvAnr8uXL/v7+SqXygfctLCzc3d2lUukDPzt06ODl5WVmZsZ8LT4+fsaMGTY2NufOnXv66af1Hr7AQ+BtjrJr1y6lUmltbb1y5UovLy8PDw+pVOrl5WVjY9Ocy8PCwlJSUvbu3RsaGvrrr7+am5tzHbDAo0F8UF1d7eTkBCA1NbXFRsrKytq3bw9g+fLlLMYmwAr8CGvbtm0AevbsqaOdM2fOmJmZmZiYHD9+nJXABNiCB2Gp1WpfX18A+/bt093ae++9B8DV1VUul+tuTYAteBDW4cOHAXh6etbX1+tuTaVSDRo0CMCwYcPUarXuBgVYgYeV902bNgFYtGiR9hFPF0xMTBISEpycnI4dO7Z582bdDQqwg56FnJmZKRKJbG1ty8rKWDT7ww8/iEQiiURy/vx5Fs0KtBh9j1jr1q0jolmzZtnZ2bFodsSIEXPnzq2rq5s4cWJFRQWLlgVaiD5VXFBQYG5uLhaLb9y4wbrx2traZ599FsDMmTNZNy7wqOh1xNqyZUt9ff2ECRM6dOjAunGJRLJ3714rK6svv/wyMTGRdfsCj4beJFxVVeXo6AggLS2NOy+ffvopADs7u9zcXO68CDwU/Qlry5YtAAIDA7l29PLLLwPo1asXK8sZAi1DT8JSqVSdOnUC8M0333Dtq7S01MvLC8CgQYO49iXwX+hpjvX9999nZWU98cQTY8eO5dqXvb09c5bmypUrXPsS+C/0JCxmUXTx4sVisVgP7kpKSgBw8Ygg0Fz0MCqePXsWQJs2bcrLy/XgrqSkxMrKSiQSXblyRQ/uHitUKtWRI0cKCgoe+k19jFjTp08HEB4e3qZNGz2427JlS3V1dUhICLPVLcAKdXV1O3fu7NatW0hIyCeffPLQ7+vjoF9hYSEAdpfa/4u6ujpmxWHJkiV6cPc4IJfL4+Litm3bxkww2rVrxxyDewh6GD8HDhwIwNvbu7S0lGtf27dvB/DMM89w7ehxICMjIzw83MLCgpFKjx49EhISlEplc67Vh7CUSmWfPn0AjB8/nmtfzzzzDIBdu3Zx7ciIUavVycnJISEhIpEIgImJSUhISHJy8iMZ0dM6Vl5enr29PYDPP/+cOy/Hjh0D4O7uXldXx50XI6a2tjYhIaFz587MEGVraxseHp6VldUCU/pbeT9w4AAACwuLzMxMjlwMHToUwJo1aziyb8QUFRVFR0cziQgApFJpdHS0LlMXvZ5uYB4Pu3btWl1dzbrxS5cuiUQiKyur4uJi1o0bMbpMpJpAr8KqrKz08fEBEBkZybrxsLAwAAsWLGDdsrFy7949Zu8LgFgsfumll/7v//6PLeP6PkF67tw5iUQiEokOHTrEolmFQmFhYWFiYpKdnc2iWeNm+fLlNjY2YrG4xROpJuAhmWLDhg0AnJycmrOA20zeeecdAOPGjWPL4ONAZGQkgOjoaC6M85P+FRISAqB///4NDQ26G6ypqXF1dYVu6a+PIRMmTACwf/9+LozzkKUjEoni4+OlUumpU6fWrVunu8GEhASFQtGzZ8+goCDdrT0+yGQyAB4eHpxY50KtzeHHH380MTExNTXVccKoTX9NTExkK7bHBE9PTwAcHbXlTVhEFBUVBaBDhw66nHo4cuQI2Et/fXxQqVSmpqYikai2tpYL+3xWxFu9enVqaurvv/8+a9as/fv3N+cStVqtUCgKCwsLCwtlMll+fv7GjRsBREREsJL++vigUCgaGhqcnZ0lEgkX9vkUlpmZ2Z49e/z9/Q8cODBixIipU6cy799f1O/+nzdv3szPz/93SS1LS0vttQLNpKCgAABzN+QC/ktF7ty5c+rUqRKJJCAgoKSkJD8/v7Kysonvu7i4uLm5eXl5SaVSDw+PgoKCN99884knntBXvEbC0aP33nvvnr9/cVycHxf2+RcWgE6dOtXW1ubl5TH/K5FIHBwcmCp+D5T2a9euXTMrswk0TVwc5s9HRAS2bePEPv9Vh2/dunXz5k0Au3fv9vPz8/DwaNu2Ld9BGT8FBQDA0VIDDEFYmzdvbmhomDx5slCmVp9wLSyeGwhUVFQwZz4XLFjAbySPG0Y+Yn3xxRfl5eUDBgwICAjgNxJD4eefkZwMR0fMnAkuc0+MecRSqVRxcXEQEh+0HDqEnTsxdy66d8fYsVCpuHPFtbD4XHlnFkWffvpplUrFYxgGxNixpK2kOmcOnT3LkZ979wggKyuOzBPxu/KuTY82MRF6RQEAysthb6957eCA8nIASE8H2/MEMzPs3YuqKnat/hMORdskp0+fBuDg4FBZWclXDAbH4sX088+a18OGUVERJSWRSEQvvkjsZc6Fh9OiRUREN27QrFl06BB98onmo5Ejia0dV96GCma4mjt3rrW1NV8xGBzLl2PDBixciPHjMWYMXFxQVgZra3zzDQICcOYMW36ys3H+vOa1SgVt56v6erC2Xs6OPh+R3NxcsVgskUgKCwt5CcCguXuXlEpSqWj4cIqOppwceu45AsjUlKKjSef5aHg4padTcDBdv06zZtHBg9S7N4WFUVgYeXgQW4lz/MyxNm3apFKppkyZIpVKeQnAoGE2Hn76CceOISkJv/6KAwewfTveew/vvovUVOzaBXf3R7VaVIS4OI1tFxeMHYv4eM1HEyciMhIAhg9n7Q/Bw4hVXl7OVAfJyMjQv/fWRHIySaUEkLMzHTlCR4+SiwsBSl/fpKNHm28mI4OmTSOJhABycqIZM+jWLWpooMBAzYi1aZPmm8HBrI1YPAjro48+AhAcHKx/160PhYKGDyeARCKKjKQ//6QhQ97p3VskEkVGRjZ9Rk+tpuRkCgkhkYgAMjGhkBBKTqZdu6ikhIjo3DnauZMuXqSTJzWXbNlCbCQhEOlfWEql0tvbG0BSUpKeXbdWVCpas4bMzAigHj0qrl+PjY1l2uj5+/s3mrZVXV29ffsBHx8CCCBbW1q4kDiogN4U+hbWnj17AHTq1Enoe/NopKfTk09W+fo629nFxsamp6c/+eSTACwtLWNjY7Xfuj9TvmvXNKmUoqM145Oe0bewevXqBeCLL77Qs19joLx89Zw5zMw4NDS0oKBAex7kpZdeSk1NnTp1qrYhaO/evQ8ePK1zonzLedhBvwMHMHEiAFy8CAsLdOoEuRwHD0Klwrhx+CtBu1GUSqVCodA2ey4sLMzMzExKSnJycsrPz9cWCxB4JHbu3Dlv3rzKysp27drt3bs3Kytrzpw5dXV1zKdisXjs2LFLlixh6kbxyUOE16+f5sXWrbRvHxUXU9++dPo0/fYb9e1LBQVUXEyXLtHRo7R9O737Ls2eTaNGkb//R4MHM9WVHsDNzc3V1VU/xUiNlaysLH9/fwCmpqbjxo1jsiFsbGzCw8OvXbvGd3QaHjZi9emDb78FgIQEtGuHsjJIJJg2DQC+/hq3biEhAZcv//u6xH79Jv/6q6urq7bZs5ubm7u7e2xs7KVLlyZOnNjMtByBRqmrq1uxYsXHH3/M/PM9/fTTZ86c0U8xzmbyMGF5e+OVVwAgIwMzZiAnB35+GDkSAE6dQlISbtzAlSvw8IC7Ozw94eYGLy9IpdWenhJX138X387JyfH396+oqNi5c+fkyZM5+lM9Jpw4cWLMmDHV1dVxcXFz587lO5x/8pAR7YFb4Xff0apVmnc2bKDdu1swSMbHxwOwsbExnHG79TJkyBAA3333Hd+BPMgjbkKPGoWsLCxejKgo/PYbXn65BVKePn16aGhoZWVlaGhofX19CywIaLl9+za4q7+gCw8RnrY6XlUV1dRoXsvlpFsFooqKiqeeegrAsmXLdLEj4OzsDMAA9/J5yytMT08PDAxsaGg4fPjwSGbSJvCI1NfXW1hYiMXi2tpa/fSSaT68nccKCAiIiYkhorCwsKKiIr7CaNUwA5VUKjU0VYHfZIoVK1YMHjz49u3b06ZN42vgbNVwW+BKN/gUlomJye7du11dXX/88cfY2FgeI2mlMIU9BGE1gqur61dffSUSid54443z2tOyAs1DEFZTDB8+fP78+XV1dS+//HJFRQXf4bQmBGE9hHXr1vn5+eXk5CxatIjvWFoTgrAegkQi2bNnj5WVVXx8/N69e7Xv19TU8BiV4cN18TRdMAhhAejcubM2IezixYvl5eWTJk2aMGGC8LTYBIY8YvGZYv9vRo0aBcDR0TE7O9vR0RHA5s2b+Q7KQFGr1cyZNsPM+DUsYd28edPS0hLA7NmzDx48CEAikVy4cIHvuAwRZpfQ3t6e70Aax1BuhQDy8vIOHjy4detWU1PTzz//vE2bNrNnz66rqwsNDa2uruY7OoPDoO+DMJhbYU1NDfN3tG/fvpiYGAAeHh4ymYzpmBoeHs53gAYHU+B+6NChfAfSOIYiLCLatm0bADs7u5ycnAEDBgAYMWLEpUuXmJuj0HjiAWbPng1g9OjRfAfSOAYkLCJ6+eWXAfTq1Ss3N5eZvG/ZsoUpzta2bVuOmnO0Oq5evTps2DAATk5OZmZmhvkrZ1jCunv3brt27QC89dZb2sl7RkbG2LFjAQQFBene+bNVc+fOndmzZzNnGRwdHYODgwGIRKL169fzHdqDGJawiCg1NVUsFpuYmKSkpERERADo3LlzQUEBkz/NUXM9w6e+vv6zzz5jMlFNTU3Dw8Pv3LlDRLGxsUzZusjISIPKATY4YRFRdHT0A5P32bNn//LLL4zgfvrpJ74D1DtHj8aMGME8bA0dOvTKlSv3f7hr1y6mj9CUKVMMp1OVIQpLpVL9e/K+b9++t956C4Cnp+dj1E78+nV66SUCqn18fDt1OnDgQKPfOnHihK2tLYDg4OB79+7pOcZGMURhEVF+fr6DgwOAuLi4Tz75hJm85+TkBAYG4jFp0Xv3Li1erKkFYmdHGzaomqwwlJ6e7uLiwjz63L59W29h/hcGKiwi+t///gfAwsIiIyNjzJgxAPr27Zubm8sIbtu2bXwHyBkqFSUkkKurpvjQ5MlUVNSc627cuMFUCvHx8fnzzz9ZiKSmhhISaONGYiqZZWVRZqbmo6+/bvpSwxUWEYWHhz8weY+Jifnmm28YwV28eJHvAFni3j1atowmT6YFC0ihoBUrNPWH+venR9zOksvl3bt3ByCVSnXdClOraeRI+vpruniRXnyRkpNp3z7aulXzqTbh9D8waGHV1NR069YNwJw5c06dOsVM3k+ePDljxgwAXbp0qa6u5jtGNpg2jVJSiIguXqThw0kmIx8fSkigFj3lVVRUMFmsbdu2PXXqVMujysigWbM0r/PyaMIE2reP1q2jO3fozh3q06fpqw1aWESknbzv379/5cqVzOQ9Pz/fx8cHwIcffsh3gGxw/z/SwIFUXd0ySWmpq6t75ZVXmFXAR2hSX1ZGqam0Zg2FhFDHjpScTG++qbVI/fvTvn00eDAtXUpLl5KnZ9PGDF1YRLR582YA9vb2OTk5THWewYMHX7hwYdmyZXVsVczkl/uFFRxMVVW6m1Sr1UuXLgUgFou3au9f/6S6ujojLY02baJJk6hjR839V/vfTz+Rdr8oLY3mzTOeWyGDWq3WTt6zs7OZQ0jTp0/nOy72mDiRmPlifj4NGsSi4djYWKaY1PLly5l3bty4kZCQEBkZGRgYKJFIzMVitbW1RknW1hQYSJGRlJBAly8TEa1eTVOm0KpVNGQI5eUZm7CIqLS0lJm8r1q1avHixQDMzMz++OMPvuNiicJCmj6dJk+m116j7Gx2bcfHx5uamgLo0KEDs9alxdTU1M/Pr3j5cvryS8rMbLyu7d27lJ2t+ai6mrSHCh+2otE6hEVEKSkpFhYWTL3NCRMmAOjatauRTN4Zzp6l99+ntDTWDe/bt08ikTAl0KVSaUhISHR0dHJychUb99z/otUIi4iK/lrOqaysZCbvCxYs4DckNnnrLQJo5UrWDTMPPUzSOevG/4vWJKz7yczMtLCwEIlEBlgaqoUcOkQAu3MsIqqqqmIOIKVxMBY2QWsVFhFt2LCBeVq8desW37GwgUKh2b1htXvjli1bAPR52LIT67RiYanVaiarp3///g1sNVTgF29vAuifhxd0Qa1WM3OGrx+2A8M6rVhYRHT79m2mzdPq1av5joUNXnqJANqxgy173333HYAnnnhC/wckDShLpwU4Ozvv2LHDxMTknXfeSUtL4zscnWE6qbLXl3Djxo0AFi1axKw46BU9C5kLXn/9dQDt27cvKyvjOxbd+PlnAqhnT1aMnT17FkCbNm14qarfukcshg8++OC5557Lzc2dNWsW37HoRo8ebw8YMASora3V3RgzXEVERDArWPpG/1rmgpycHOav76uvvuI7Fp1gjmLrvjQgk8nMzMxMTU35emQ2hhELQMeOHZmDpvPnz7927VrLjCxZgqgoAMjLw8KFLEb3CDBNrM7oPM36+OOPlUrlxIkTma0w/WMkwgIwZcqU1157raqqqsXl46urceUKzp+HWg2+cvoDAgIApKen62KkoqLiiy++ALCQr98PgJ+e0Bzx6aefnjlz5vz58ytXrly/fn2j36mqQn4+ioogk6GwEAUFKCxEYSG6doVIhJgYrFiBbdv0HPjfMCPW77//rouR+Pj4srKyfv36MdZ4waiEZWNjs2fPnsDAwI0bN0ql0o4dO+bn5xcVFTFN7QoLC2UyWZcul9PSGumGV1+PHj00Xbi3b9d/7Bq6detmbW2dk5NTUlLCbMU8KiqVipkVLFmyhO3oHgVeZnacsnr1arFY3GhTOwCDBv3esSP17UuTJtHixbRxIyUmUmoq5eZSRATl5lJDAwUF0cyZvMUfFBQE4NixYy27nMkJ6NChA7+7EUY1YjG4u7urVCoHB4fAwEBtUzupVOrp6SmVSpsYBvr2ha0txGJs3ozLl5Gbi/bt9Rm4hieffPL06dPz588PCgry8vJyd3f38PDw8PBwd3d3c3N76OXMKsOSJUv47SrAW8sT7ujevXtGRsaOHTumTp3aYiNffYV587B+PfTcrS0vL69Xr15KpbK0tPTfn5qbmzs6Orq7u0ulUu3PDh06SKVSb29vW1vb9PT0Xr162dvb5+Xl2djY6DX0f2JsI9aJEycyMjJcXV0HDx48ffr0yMhIJh2q+ZSW4sQJ2NmhpgZLlyIwEM8+y1GwD1JSUjJs2DCFQtGnT5+oqKiSkhKZTFZQUFBYWMh0QC4uLpbL5XK5vNHLnZycVCoVgPDwcH5VBeMTFlMhd8GCBdu3b9+xY0dJScn333/f/MurquDvD5kMKSmYNQtffIFXX8XZs7C05Cziv6ipqRkzZszVq1e7dev2ww8/tG3b9t/fqaurKykpkcvlN2/eLCwslMvl2p+3bt0qLi4GYG1t3bJZP8vwOL9jnWvXrpmYmFhZWRUUFDDTkZMnTz6qkbffJoA8PamggLp1I4DmzuUg1n/S0NAwbtw4AO3bt29Zjzi1Wi2Xyz/88EMALi4uvG+bGpWwmMzpOXPmfPnllwD8/f1bYESppMBAAmjcOLp0iSwtCaBvv2U92L9Rq9VMCq6Tk5PuXWf79esHICoqipXYWozxCOvOnXpPz3YmJibXrl1jdtx27drVMlN5eeTgQAB9+ilt3kwAOThQXh5XFYLef79cKg2wtrb+/fffdbd2/vx5sVhsbm6elZWlu7UWYzzCWrWKLCxq5s1LOnbsGAAPDw9d0lkPHCCALC3p0iXV+PHK/v2jOTqn+sknBJC3t/LYsZ/ZssmMf6NGjWLLYAswEmHV1pKbGwF08iRNm7YUbGTfz5xJgYEJPXoE5Ofnu7u7A1ilbbTOEt9+S2IxiUQUH8+mWYVCYWdnByApKYlNu4+CkQjryy8JIH9/unyZRCLq2fO30tJSHW1WVlb7+voCmDt37s8//ywWi01NTU+fPs1KwER08iRJJATQ2rVsmfybtWvXAvh47FjiqWqrkQjrmWcIoN27KSyMAGIr3VBbkuTbb79dsWIFAC8vr5KSEt0tZ2ZS27YcPnLW1dXdGj2aAOKpZ4wxCCspiQDy8CCZjCwsyMSEzTx1pvWrvb39jRs3nn/+eQBM6yhduHmTpFIC6JVX2M31+ifffUcA2dvTnTuc+fhPjEFYQ4YQQGvWaJag2K0jqVarR48eDaBv377Xr19n5i5Lly69dOnSI5VCraoipvCsSkVXr5KPDw0YQLW1bIbaCEOHEkDz5nHsphFa/V7h1avo0gXW1sjOhp8fFAqkpiIoiE0Xd+7c8fPzKysrS01NvXDhwvz581UqlVKpBGBpaclsDzP73D4+0+zsuri7w8sLbm4wM/vbyMyZMDXFtm3IycH69fjgA5ib459FOjjg6lU8+yzUaly4gG7dOHb2D1rrlg4RKirQpg18fHDwIAoLcegQFAr07MmyqgA4OzsfOHDAwcHB19c3JSWltrbW0dHR1dVVJpPdu3cvJycnJyeH+WZQUPjp05qrRCK4ucHdHe7uYM7b3bmDtDQ4OwOAnjZdfH0REYEtW7BoEVJS9OLyL/Q/SLJCaSmZmxNTyCgigrKz6fJlmjbtoTVXdUKpVDJHyLWP8ZWVlVeuXElJSUlISFi9evXbb8vHjKFevcjdncTiv2uYDRpEM2bQxYs0cCBdvUoRERwG+SClpeToSADpt8hFax2xAAQFYflyaLeYu3TBV19x6/HAgQN5eXmdOnUaOnQo8461tbWvry+zKvEADQ1QKJCfD7kcNjbYvx8ODnj1VXz6KbdBPoi9PWJiEB2Nqip9um3FyRSurhgwADt26M/jxx9/DCAqKuq/jqfej6kpPDzw3HMYNw7BwZo3w8Jw8SKnMTbG7Nm4fh0+Pnj7baxZg6IiANi1C0olAJSX4+BB1n22YmEBiIzEnj0oL9eHr1OnTp05c8bZ2Tk0NLQFlw8fDltbiESIi8OQIaxH1ySmpsjNRUwMZszA4MF48UVUViIxUSOssjIcOsS6z9YtLFNTREdz8fvWCNpe6JYtOpw1YQLs7BATg+Bg6L+QAnbvxptv4okn0LMnRo3C8eMAcP06rl3DjRtcOGytcywLC4waBQB9+yI2FtbW+OMPdOnClbvs7OzDhw9LJBKm/WSLUSohl+PMGYwezVZozaO8HPb2mtcODppB/vvvYWaGsjIuHLbWEcvSEpMmaV6/+CJGjsSgQVAouHIXGxurVqunTJnSnHSGJmDWHdgrJ9Ns/Pzw22+a12lpYI5rR0XhjTc4OtXfWoV1P46OcHSEQoGpU8HFcu/du3cTEhJEItGiRYt0NNW7NwCcOQO1moXAHoFZs/DDD5g7F6Gh8PKCnx/nHvW5tsEdRUWapkYbNrBv/IMPPgAwfPhwVqx5eRFAV6+yYuwRKS8n7Rk17Qu1mjjocmgkwiKio0dJJCIzM/rtNzbN1tfXe3p6AkhOTmbF4IQJBFBCAivGDBdjuBUyDB+OBQugVOK111BRwZrZxMREmUzWtWvXQYMGsWKQmWbpVvWjFWA8wgKwdi38/JCTg6goJVs2mVWGpUuXNmdRtDkwwrp6tYQVa4YL30Mmy1y9Ss89V+zm1mPPnj0ts1BTU6PtInnixAkALi4uNTU1bEV4716dp2c7c3PzWs4PzfBJa13H+i98fDBjxrezZp2LiIgICAh46qmnGv3a3bt3H0j41GaBKhQKkUhUV1cnFou16a9MZyhWsLU1b9vWVia7lZGR0Zt5SjRK+FY2J0yaNAlAQEAA09VdoVBERkaOHz/++eef9/T0NLv/nNS/MDc39/b2Li4uzsrKYtJf77B9AjMsLAzAZp4ODesHYxuxGLZu3ZqWlpaenh4TE/PBBx+IxWKm6aEWCwsLbTmNB2ps2NjY3L59+8yZM+vXr1er1VOnTnVycmI3vICAgPj4eB3L9hk4ximstm3b7t+/PygoaM2aNQMGDBg0aFBsbKybmxtTD8jR0bGysvL+O+C5c+eOHDnC1N6o+OuRUiQSWVpaWltbsx4ecwfUvdCoIdPqjyY3wapVq6Kjox0cHKZPn15aWlpUVMTUbCkpaeqJzM7OjjltXF9ff/r0abVaHRUVtXbtWlaeCtPS0p5//vmGhgY7O7uampqSkhJ77RaecWHMwlKr1b6+vtXV1TKZ7P73G60yxfzs2LHj/WVeDh48GBoaWltb+9prr8XHxzc9OWuaa9euLV269OjRo0lJScOGDQsKCvr111+PHz8erD2rZWTwPcnjEG1HtbCwsM8+++zw4cMXLlzQNj1sJj/99BNTQX7QoEEta/FQXFw8b948pumIg4NDYmJifn6+l5eXubk576U7uMOYhbV161YAAQEBOtrJzMxkUux79uypUCiaf6FSqfzss8+cnZ0BmJqahoeH5+Xlvfvuu1ZWVgCcnJwuXbqkY2wGi9EKi7kPAti/f7/u1nJycjp27GhmZjZ6dPLNm8265NgxGjVKIRKZAAgODr58+fL333/f/q+qpiEhITebaah1YrTCYgr5tWvXjq2OakVFRZMmfQeQVEoXLjT1zawsCgnR5OeMHbvj0KFD58+fZ8pWAejevfupU6dYCcmQMVphvfDCCwA2btzIos3KSho2jACysVJiOLwAAARCSURBVKEff2zkCxUVFB2tKfVhbU3R0ZSXRzNn0lNPjQHg4uLy+eefqzhMqjcgjFNY586dA2Bra8t6xcS6Onr1VQLI3JwSE//x0ZEj5OJCAJmY0MyZlJ9Pa9dSmzYEUK9et6Oiongv36hPjFNYy5adc3XtvmTJEi6Mq9W0bBkBJBLRunV/v5+RQWIx9e5NaWmUnEydO2vuhoMHaxJrHyuMUFgyGZmZkaUl3bp1jzsv69aRSEQAHT+uOYypVtMvv9DVqzRihEZSnTrRDz9wF4JBY4QLpCtW4KOP8MorSEzk1tHu3cjMhFiMS5dw5AjKyzFtGk6fRnExHBwQE4M5c/jI9DIMjE1Y1dXw9kZJCX77Dfo5k/LGG/jzT0yYgOBgzJiBfv1w/TrefVdfZT8MFWP7hdq+HSUlCArSk6oYFi7EypV47jkAiIzUn19DxqiOJqvVYE7H6LmhmkSCFSvw/vt6dWrgGJWwDh1CTg7at9d7njEwZAju3dO3U0PGqG6FSUkAsGgR9NlQbdgwuLsDwPr1fKQ4GyrGMHnPzoaFBby8oFRi504EB0OpRMeOAHDhArp2hQ6nXQRaiDHcCj/7DK+8ApUK5eVITkZ2Nvbu1Xz0/vt6KnIk8ACtWFhqNeRy3LwJAH36IC6O74AE7sPQ51gVFRVMq/CSkqdu3PCWyzU96PPzoVCgoQHPP48+fTBlCl5/HS+8oLnq4EEw9WbPnuUv9McbwxJWZmbmxo0b1Wq1TCaTy+X5+flVf1XO7Nfvk19+mf/A911dYWcHACIRPvoIb7+t6Vg5fjzefhsAJkzQY/QC92FAwsrNze3Ro4dIJGJKqDNYWVkxTcJ79XLu1QuenpoC156ekEphbg4AUVEA8OyzaN9eU19TgHcMSFiJiYkNDQ2Ojo4bNmyQSqVMqlajHWwfICICUikAvP8+cnPh6al5JAQQE6MZ0gT0jKEsNyiVyg4dOshksh9//HGIvou/CrCPoTwV7tu3j6kWZLTpUI8ZhiIspvzG4sWL2aoWJMAvBnErPHny5MCBA11cXG7dusViXRcBHjGIEWvjxo0A5s+fL6jKaOB/xLp+/bqvr69EIsnLy2O9rosAX/A/Ym3atIkpoS6oypjgecQqLS319vaurq7+448/Gu2hJdBK4XnEiouLq6qqGjlypKAqI4PPEauurq59+/ZyuTwlJWXgwIF8hSHABXyOWHv37pXL5d26dRswYACPYQhwAZ/CYvpKvv7668KiqPHB263w+PHjQ4cOdXd3z83NNWdOKQgYEbyNWMwezvz58wVVGSX8jFhZWVm+vr6WlpZ5eXmOj3nKsJHCz4i1bt06Ipo+fbqgKmOFn4N+UVFRpqamCxcu5MW7gB7gf69QwCjhf69QwCgRhCXACYKwBDhBEJYAJwjCEuAEQVgCnCAIS4ATBGEJcIIgLAFOEIQlwAmCsAQ4QRCWACf8P+8dm+h/oVLgAAACYnpUWHRyZGtpdFBLTCByZGtpdCAyMDIzLjA5LjQAAHicdZFLaBNRFIbP3ElmJpm0SZqYd+JELcQIqaXdCNJcXBQEXwi6EB8DVRjBWkSRqhgr2qpUNy6kqUqxoHZhKxpciCa52lCaFkFBpEGahfVBN81KBAVx5oRopHrh8n/n3PP44VZy42XQjx3+nFX6bdZvHyeAqivHV5UQETRdeaI/xAwwSVUl1QKek0AxCmuhSPGZFyj21Seq/TWtG1zdVNu8rAEXkjqtLcZ6rhb/Pef/unz+v+fVYhk44AgQXuFNMcKbwSyAIIIogWRRLVaNWGVVtmnE1qA0NEKjHWwO1eHUiLNJaXLFeJcb3CvA7QGPF7w+8PnBH4BAEJwhNRTWiBiByEqIKKBEQTFDWFLDshr0gNukLzebBTGimC1SWLYKNoczFJYFr88fCHq8o5zu7ff3Jbwl2nP/JjWCzg3jVFx3GVmLj9GF8npkku6lrs8W5KXvcdpzcFO1/sxRevvZ2qTB+7YGaWv5YdbgvkQLPfd2Km/wZGE+mc/EmcH9k4QObL+I3L27I3m88xZydCSbm6K9yAv7l/KHA+eRB7dF2GzlAbJv5ix7s/gIOX3iOmvLzyN/GmxhoVQ78uwRiWXuPcW9ySJl7TPHcgY/bj7Ftmin0afrxRAr7rCh/1JqmmX3EuSB1n529UcXcupLnKUr3ciHpnmWeDWKPLdmI7syVkRue32NXZgoILMDd1i0NIT8rbA6P5y7ix72ZE528DcU9PZu5yX61f4e8y83j9CPTyjmuz4M0/ziBPq0zhXpLuvP5wZ7fgEW5ajw7BP2TgAAAxl6VFh0TU9MIHJka2l0IDIwMjMuMDkuNAAAeJx9VluO2zAM/M8pdIE1xLf02X2gKIpNgHbbO/S/90eH9q6cBYg6EeHIY2rIIYlcWl4/nr//+dvWxc+XS2v9P985Z/stvffLa8ub9vjy9du1Pb19efzYebr9ur79bKJNAu/g8xn75e32+rFD7an5FkN7zKbbcKUxW9/6fp1vMnC2KQkrAcdmbFzgpF2Bw2OKaLyFi3ctcAp/so2hIhM4MnUfBc7aDY89yNzxQpeQ0Quc7/6CnSOPc5dOVRyx+1N2m9Ee8HzYCCmAAw7BX4JJ2gNtZoJQCuBExAQgm8MjuHowUwGkvrvsKjTgUjcSjV4FTQSffQsV657IMXB2dTilLghDootZe0BKY0yrMo4wnjKQ4cxB6bWLapRQxfkIRUNMtT1A+K4cld5k6VW26VCwJ9SQ2VlCUyMca+EhSIBvk6fNMqw4CITyzPTzNhh6RgVNoQAgIdeeAap1rZM1D66dmFOBvrE4caU+9wM6QJEdgBmDyrQyHVEFcuV7KU+GwhWSUXuIGrWnw7ISxCdVRFkOnwSppqGuDTdcVQrrEb1DfzQwOgB9p2UD24HshjMdPdpHQLIK6QdyykxXvqGVRp2lOHgiXncDkhR9VyJ3lXAoBJXRMl1u3Spk9hOkcZyO6KAnTx1RhZSjDtusfUJaMDbcWBWSpEiYWjxQ/ekziJSr4yVFUsgdyM5RLES9nHSy+8TkJLG9BxV6VSWKQXzb0xiQcR86QnBbIF+uz5+m8zGvH2/X53Ne54fPsYwfTc7pS1h6DlnGsnOWYnQ3P0cmYcU5GQlrnPOPsOY55RSL7oeZpiG6G1qahhY5ytNhaPGjJJhmUcSood0slpQ00yyiGBy6v7W4Yj5oGlp0KfmmWYxREpKG75ua0vDizHsy8T0Tyu87izMnZxhenDk5w/DizMkZhhdnzuzC8OLMmWAYXpzRFJqceXHmTDOM3Nd46iCLsiRlGFmUhd93zjLY60BQeHcluO8sfihZTefraPFj45RPdsLjLhVZnvfFmL8//njg/vIPvhChOB9b/YwAAAGQelRYdFNNSUxFUyByZGtpdCAyMDIzLjA5LjQAAHicJVI7bisxELvKA9KsAa0w/xnBSKU+PoR7nyCHD0dvKy1FUSRHe//s6/v12Pza10fen7e+r5+9H5/3tb/2vrBluz8DpPI4CL/+/V4xs4xq2KwwXuPp01jFAIi7eANYcA2ZGRrjqbPK1PDPbpHjKTOSPYdO0tRqRkpIDpoRSi0q0yRi3DSpvFIbSU3hcfN019ZlIAKZG3qRIs0hU9x822S15PGkmaZO0VBVn4KkJqn7uGEsa8ExNCsEBsAiNYNHiFqq27iRj0wa0rkCCRpyXwmb4HsG7N0xlyxf52CaLG5bJSQHYeWwtm5OdpSIRarziQaLHqwgoShhZaGpo57wkN3cEmtSTIGF7pY0cElzOHBepyOBntsC+QpIcqYfhHwxD0eZ6f+RpQt7MVF3yZFBc2g8Jlu0DMiI0WPNDOdTXOCQnBzYqep6xWhhYFB0LNAvnoFURZOS2aSRlW3kpIYNAHhBbJ1ejXvwzzaSIWfgysR4YI/fP7AUiYvIgKiUAAAAAElFTkSuQmCC\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O</td>\n",
+       "      <td>5.01</td>\n",
+       "      <td>RepresentationTutorialDataset_0003</td>\n",
+       "      <td>2007.0</td>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td>5.37</td>\n",
+       "      <td>RepresentationTutorialDataset_0004</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img 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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4077</th>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td>5.78</td>\n",
+       "      <td>RepresentationTutorialDataset_4077</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4078</th>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td>6.26</td>\n",
+       "      <td>RepresentationTutorialDataset_4078</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4079</th>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2</td>\n",
+       "      <td>6.30</td>\n",
+       "      <td>RepresentationTutorialDataset_4079</td>\n",
+       "      <td>2012.0</td>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4080</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1</td>\n",
+       "      <td>6.57</td>\n",
+       "      <td>RepresentationTutorialDataset_4080</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4081</th>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td>6.42</td>\n",
+       "      <td>RepresentationTutorialDataset_4081</td>\n",
+       "      <td>2020.0</td>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 6 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000      Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1   \n",
+       "RepresentationTutorialDataset_0001         CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1   \n",
+       "RepresentationTutorialDataset_0002  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_0003               OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O   \n",
+       "RepresentationTutorialDataset_0004  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_4078  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_4079                   COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2   \n",
+       "RepresentationTutorialDataset_4080               Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_4081  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0000                5.28   \n",
+       "RepresentationTutorialDataset_0001                6.94   \n",
+       "RepresentationTutorialDataset_0002                7.23   \n",
+       "RepresentationTutorialDataset_0003                5.01   \n",
+       "RepresentationTutorialDataset_0004                5.37   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_4077                5.78   \n",
+       "RepresentationTutorialDataset_4078                6.26   \n",
+       "RepresentationTutorialDataset_4079                6.30   \n",
+       "RepresentationTutorialDataset_4080                6.57   \n",
+       "RepresentationTutorialDataset_4081                6.42   \n",
+       "\n",
+       "                                                                QSPRID  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000  RepresentationTutorialDataset_0000   \n",
+       "RepresentationTutorialDataset_0001  RepresentationTutorialDataset_0001   \n",
+       "RepresentationTutorialDataset_0002  RepresentationTutorialDataset_0002   \n",
+       "RepresentationTutorialDataset_0003  RepresentationTutorialDataset_0003   \n",
+       "RepresentationTutorialDataset_0004  RepresentationTutorialDataset_0004   \n",
+       "...                                                                ...   \n",
+       "RepresentationTutorialDataset_4077  RepresentationTutorialDataset_4077   \n",
+       "RepresentationTutorialDataset_4078  RepresentationTutorialDataset_4078   \n",
+       "RepresentationTutorialDataset_4079  RepresentationTutorialDataset_4079   \n",
+       "RepresentationTutorialDataset_4080  RepresentationTutorialDataset_4080   \n",
+       "RepresentationTutorialDataset_4081  RepresentationTutorialDataset_4081   \n",
+       "\n",
+       "                                      Year  \\\n",
+       "QSPRID                                       \n",
+       "RepresentationTutorialDataset_0000  2006.0   \n",
+       "RepresentationTutorialDataset_0001  2009.0   \n",
+       "RepresentationTutorialDataset_0002  2006.0   \n",
+       "RepresentationTutorialDataset_0003  2007.0   \n",
+       "RepresentationTutorialDataset_0004  2018.0   \n",
+       "...                                    ...   \n",
+       "RepresentationTutorialDataset_4077  2010.0   \n",
+       "RepresentationTutorialDataset_4078  2006.0   \n",
+       "RepresentationTutorialDataset_4079  2012.0   \n",
+       "RepresentationTutorialDataset_4080  2005.0   \n",
+       "RepresentationTutorialDataset_4081  2020.0   \n",
+       "\n",
+       "                                                                        SMILES~QSPRID  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000  Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...   \n",
+       "RepresentationTutorialDataset_0001  CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...   \n",
+       "RepresentationTutorialDataset_0002  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_0003  OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...   \n",
+       "RepresentationTutorialDataset_0004  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_4078  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_4079  COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...   \n",
+       "RepresentationTutorialDataset_4080  Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...   \n",
+       "RepresentationTutorialDataset_4081  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                                                               RDMol  \n",
+       "QSPRID                                                                                \n",
+       "RepresentationTutorialDataset_0000  <rdkit.Chem.rdchem.Mol object at 0x7fa57a35bca0>  \n",
+       "RepresentationTutorialDataset_0001  <rdkit.Chem.rdchem.Mol object at 0x7fa57a0de420>  \n",
+       "RepresentationTutorialDataset_0002  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056500>  \n",
+       "RepresentationTutorialDataset_0003  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056490>  \n",
+       "RepresentationTutorialDataset_0004  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056730>  \n",
+       "...                                                                              ...  \n",
+       "RepresentationTutorialDataset_4077  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e420>  \n",
+       "RepresentationTutorialDataset_4078  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e490>  \n",
+       "RepresentationTutorialDataset_4079  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e500>  \n",
+       "RepresentationTutorialDataset_4080  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e570>  \n",
+       "RepresentationTutorialDataset_4081  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e5e0>  \n",
+       "\n",
+       "[4082 rows x 6 columns]"
+      ]
+     },
+     "execution_count": 15,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import MoleculeTable\n",
+    "\n",
+    "mt = MoleculeTable(df=df, store_dir=\"../../tutorial_output/data/\",\n",
+    "                   name=\"RepresentationTutorialDataset\",\n",
+    "                   add_rdkit=True,\n",
+    "                   overwrite=True,\n",
+    "                   random_state=random_state)\n",
+    "mt.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "However, in addition to the ability to depict structures in Jupyter notebooks, this also allows you to use the `MoleculeTable` class to calculate molecular descriptors and fingerprints, determine scaffoldataset and standardize structures. We will go over some of these features in the next sections.\n",
+    "\n",
+    "### Dropping Invalid Molecules and Standardizing Structures\n",
+    "\n",
+    "Before making calculations, it is a good idea to standardize structures and drop invalid molecules. `MoleculeTable` provides a simple way to do this:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:19.859847126Z",
+     "start_time": "2024-01-17T09:48:14.102395312Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:16.422240Z",
+     "iopub.status.busy": "2023-09-21T15:41:16.421937Z",
+     "iopub.status.idle": "2023-09-21T15:41:27.677052Z",
+     "shell.execute_reply": "2023-09-21T15:41:27.675892Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "mt.standardizeSmiles(\"chembl\", drop_invalid=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The code above uses the ChEMBL standardizer to standardize the structures and drops all invalid molecules. You can also do it separately, though:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:48:25.288648804Z",
+     "start_time": "2024-01-17T09:48:19.861735117Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:27.680500Z",
+     "iopub.status.busy": "2023-09-21T15:41:27.679958Z",
+     "iopub.status.idle": "2023-09-21T15:41:38.521176Z",
+     "shell.execute_reply": "2023-09-21T15:41:38.520286Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "QSPRID\n",
+       "RepresentationTutorialDataset_0000    False\n",
+       "RepresentationTutorialDataset_0001    False\n",
+       "RepresentationTutorialDataset_0002    False\n",
+       "RepresentationTutorialDataset_0003    False\n",
+       "RepresentationTutorialDataset_0004    False\n",
+       "                                      ...  \n",
+       "RepresentationTutorialDataset_4077    False\n",
+       "RepresentationTutorialDataset_4078    False\n",
+       "RepresentationTutorialDataset_4079    False\n",
+       "RepresentationTutorialDataset_4080    False\n",
+       "RepresentationTutorialDataset_4081    False\n",
+       "Length: 4082, dtype: bool"
+      ]
+     },
+     "execution_count": 17,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.standardizeSmiles(\"chembl\", drop_invalid=False)\n",
+    "mt.dropInvalids()  # returns a boolean array of the same length as the unfiltered data frame that indicates which rows were dropped (True) and which were kept (False)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Calculating Molecular Descriptors\n",
+    "\n",
+    "QSPRPred provides an interface to easily calculate molecular descriptors. The package already contains many descriptor implementations, but you can also easily add your own. See the [descriptor tutorial](descriptors.ipynb) for more information on this topic. Here is an example that calculates Morgan fingerprints and RDKit descriptors:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:13.440960910Z",
+     "start_time": "2024-01-17T09:48:25.287458889Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:41:38.523697Z",
+     "iopub.status.busy": "2023-09-21T15:41:38.523454Z",
+     "iopub.status.idle": "2023-09-21T15:43:17.462900Z",
+     "shell.execute_reply": "2023-09-21T15:43:17.462012Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data.descriptors.sets import RDKitDescs\n",
+    "\n",
+    "mt.addDescriptors([MorganFP(radius=3, nBits=2048), RDKitDescs()])"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "**Note:** You can also speed these calculations up with the `n_jobs`/`nJobs` parameter/attribute since descriptor calculation is implemented to process multiple sets of molecules in parallel if `mt.nJobs` is higher than 1.\n",
+    "\n",
+    "Descriptors are kept in their own wrapped tables, which can be accessed with the `descriptors` attribute. On saving the data set, the descriptors are also saved to the same directory."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:13.445544277Z",
+     "start_time": "2024-01-17T09:49:13.442059622Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:17.465962Z",
+     "iopub.status.busy": "2023-09-21T15:43:17.465653Z",
+     "iopub.status.idle": "2023-09-21T15:43:17.470642Z",
+     "shell.execute_reply": "2023-09-21T15:43:17.469790Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[<qsprpred.data.tables.mol.DescriptorTable at 0x7fa5da330cd0>,\n",
+       " <qsprpred.data.tables.mol.DescriptorTable at 0x7fa63e210a30>]"
+      ]
+     },
+     "execution_count": 19,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.descriptors"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:13.454090228Z",
+     "start_time": "2024-01-17T09:49:13.445695572Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:17.473658Z",
+     "iopub.status.busy": "2023-09-21T15:43:17.472802Z",
+     "iopub.status.idle": "2023-09-21T15:43:17.478003Z",
+     "shell.execute_reply": "2023-09-21T15:43:17.477078Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(4082, 2049)"
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.descriptors[0].getDF().shape"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Adding more descriptors (i.e. [protein descriptors](data_preparation_advanced.ipynb)) later will append to this list. You can easily get the whole matrix of descriptors as follows:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 21,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:13.582056037Z",
+     "start_time": "2024-01-17T09:49:13.452858557Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:17.480514Z",
+     "iopub.status.busy": "2023-09-21T15:43:17.480208Z",
+     "iopub.status.idle": "2023-09-21T15:43:17.594290Z",
+     "shell.execute_reply": "2023-09-21T15:43:17.593408Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>MorganFP_0</th>\n",
+       "      <th>MorganFP_1</th>\n",
+       "      <th>MorganFP_2</th>\n",
+       "      <th>MorganFP_3</th>\n",
+       "      <th>MorganFP_4</th>\n",
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+       "      <th>MorganFP_6</th>\n",
+       "      <th>MorganFP_7</th>\n",
+       "      <th>MorganFP_8</th>\n",
+       "      <th>MorganFP_9</th>\n",
+       "      <th>...</th>\n",
+       "      <th>fr_sulfonamd</th>\n",
+       "      <th>fr_sulfone</th>\n",
+       "      <th>fr_term_acetylene</th>\n",
+       "      <th>fr_tetrazole</th>\n",
+       "      <th>fr_thiazole</th>\n",
+       "      <th>fr_thiocyan</th>\n",
+       "      <th>fr_thiophene</th>\n",
+       "      <th>fr_unbrch_alkane</th>\n",
+       "      <th>fr_urea</th>\n",
+       "      <th>qed</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.493001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.577514</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>0.373546</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "      <td>False</td>\n",
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+       "      <td>False</td>\n",
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+       "    </tr>\n",
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+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
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+       "</table>\n",
+       "<p>4082 rows × 2258 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                    MorganFP_0  MorganFP_1  MorganFP_2  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False       False       False   \n",
+       "RepresentationTutorialDataset_0002       False        True       False   \n",
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+       "...                                        ...         ...         ...   \n",
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+       "RepresentationTutorialDataset_4081       False       False       False   \n",
+       "\n",
+       "                                    MorganFP_3  MorganFP_4  MorganFP_5  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False       False       False   \n",
+       "RepresentationTutorialDataset_0002       False       False       False   \n",
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+       "RepresentationTutorialDataset_0004       False       False       False   \n",
+       "...                                        ...         ...         ...   \n",
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+       "RepresentationTutorialDataset_4080       False       False       False   \n",
+       "RepresentationTutorialDataset_4081       False       False       False   \n",
+       "\n",
+       "                                    MorganFP_6  MorganFP_7  MorganFP_8  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False        True       False   \n",
+       "RepresentationTutorialDataset_0002       False       False       False   \n",
+       "RepresentationTutorialDataset_0003       False       False       False   \n",
+       "RepresentationTutorialDataset_0004       False       False       False   \n",
+       "...                                        ...         ...         ...   \n",
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+       "RepresentationTutorialDataset_4080       False        True       False   \n",
+       "RepresentationTutorialDataset_4081       False        True       False   \n",
+       "\n",
+       "                                    MorganFP_9  ...  fr_sulfonamd  fr_sulfone  \\\n",
+       "QSPRID                                          ...                             \n",
+       "RepresentationTutorialDataset_0000       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0001       False  ...           0.0         0.0   \n",
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+       "RepresentationTutorialDataset_0003       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0004       False  ...           0.0         0.0   \n",
+       "...                                        ...  ...           ...         ...   \n",
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+       "RepresentationTutorialDataset_4081       False  ...           0.0         0.0   \n",
+       "\n",
+       "                                    fr_term_acetylene  fr_tetrazole  \\\n",
+       "QSPRID                                                                \n",
+       "RepresentationTutorialDataset_0000                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0001                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0002                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0003                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0004                0.0           0.0   \n",
+       "...                                               ...           ...   \n",
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+       "RepresentationTutorialDataset_4081                0.0           0.0   \n",
+       "\n",
+       "                                    fr_thiazole  fr_thiocyan  fr_thiophene  \\\n",
+       "QSPRID                                                                       \n",
+       "RepresentationTutorialDataset_0000          0.0          0.0           0.0   \n",
+       "RepresentationTutorialDataset_0001          0.0          0.0           0.0   \n",
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+       "\n",
+       "                                    fr_unbrch_alkane  fr_urea       qed  \n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000               0.0      0.0  0.493001  \n",
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+       "...                                              ...      ...       ...  \n",
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+       "\n",
+       "[4082 rows x 2258 columns]"
+      ]
+     },
+     "execution_count": 21,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "mt.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Data Representation (`QSPRDataset`)\n",
+    "\n",
+    "The `QSPRDataset` class is the next extension of the `PandasDataTable` and `MoleculeTable` classes. It is a subclass of `MoleculeTable` and adds some useful functions for QSPR model training itself, but of course, the data preparation steps covered for the `PandasDataset` and the `MoleculeTable` classes are also applicable to the `QSPRDataset` class. You can create a `QSPRDataset` object from scratch as usual, but this time you will need to specify the target properties and tasks you would like to model. For example, a data set for a simple regression task would be defined as follows:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 23,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:15.864121360Z",
+     "start_time": "2024-01-17T09:49:13.585825555Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:17.597300Z",
+     "iopub.status.busy": "2023-09-21T15:43:17.597001Z",
+     "iopub.status.idle": "2023-09-21T15:43:19.947575Z",
+     "shell.execute_reply": "2023-09-21T15:43:19.946689Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/home/helle/.conda/envs/test_qsprpred/lib/python3.10/site-packages/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead.\n",
+      "  for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()]\n"
+     ]
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+       "      <td>Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>5.28</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1</td>\n",
+       "      <td>6.94</td>\n",
+       "      <td>RepresentationTutorialDataset_0001</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>6.94</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td>7.23</td>\n",
+       "      <td>RepresentationTutorialDataset_0002</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>7.23</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "      <td>OCC1OC(n2cnc3c(NC4CCSC4)ncnc32)C(O)C1O</td>\n",
+       "      <td>5.01</td>\n",
+       "      <td>RepresentationTutorialDataset_0003</td>\n",
+       "      <td>2007.0</td>\n",
+       "      <td>OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>5.01</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "      <td>Cc1cc(C)cc(-c2nc(Nc3ccc(Cl)cc3F)c3ncn(C4OC(Cn5...</td>\n",
+       "      <td>5.37</td>\n",
+       "      <td>RepresentationTutorialDataset_0004</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img 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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>5.37</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4077</th>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn...</td>\n",
+       "      <td>5.78</td>\n",
+       "      <td>RepresentationTutorialDataset_4077</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>5.78</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4078</th>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)n...</td>\n",
+       "      <td>6.26</td>\n",
+       "      <td>RepresentationTutorialDataset_4078</td>\n",
+       "      <td>2006.0</td>\n",
+       "      <td>O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>6.26</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4079</th>\n",
+       "      <td>COCCNC(=O)c1cc2cccc(OC)c2oc1=N</td>\n",
+       "      <td>6.30</td>\n",
+       "      <td>RepresentationTutorialDataset_4079</td>\n",
+       "      <td>2012.0</td>\n",
+       "      <td>COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>6.30</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4080</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1</td>\n",
+       "      <td>6.57</td>\n",
+       "      <td>RepresentationTutorialDataset_4080</td>\n",
+       "      <td>2005.0</td>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,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\" alt=\"Mol\"/></div></td>\n",
+       "      <td>6.57</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4081</th>\n",
+       "      <td>Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCNC(=O)OC(C...</td>\n",
+       "      <td>6.42</td>\n",
+       "      <td>RepresentationTutorialDataset_4081</td>\n",
+       "      <td>2020.0</td>\n",
+       "      <td>Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...</td>\n",
+       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAUy0lEQVR4nO3de1hUZR4H8N+MAwMjowYCGvKoD5g+ILqokEYqGFhsVIYSXsAEVzO1kQaTVhRcoItmha6S5nrBVhJS8pKWgu4qaQG6iuAdQQMeBRQEhJG5/faPF0dDmDPovPaEv89fI/M77zkD3znnfd9zUYSIQIi5if/oDSCdEwWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLcEHBIlxQsAgXFCzCBQWLCNi/f//Ro0c7uhQFi7Srrq5uypQpoaGhr7zyyoIFC9RqtenLihCR35aRP69jx45Nmzbt2rVrUqlUo9Ho9Xpvb++0tDQXFxdTFqc9FmkNEVetWuXn53ft2jUvL6/PP/9cr9dLJJK8vDxPT89vvvnG1FYIMbhx48b48eMBQCQSKRSK5ubmCxcuDBs2jP2EZSYkJKS2ttZ4OxQsct+GDRvs7OwAoHfv3llZWYafq9Xq+Ph4sVgMAF26dAEAV1fXPXv2GGmKgkVaNDc3y2QyAPD39y8rK3u4YP/+/Q4ODgAgk8nEYrG7u7uR1qiPRVrcvXuXHexKS0u//vrrhwsCAwMLCgoCAwMXLVqk1+utra2NtEbBIi26dev2xhtvAMCVK1cyMjLarOnVq9f+/fsvX74MACEhIUZao2CR+yZOnAgAFhYWFy9ePH/+fNtFavX7N29GuLsHBwcbaYqCRe4LDAzs2rWrRqMBgB07drRdlJ09/MCBTRKJq6urkaYoWOQ+a2vrwMBA9nrnzp1tF7GfT5xovCkKFvkddjSUSCQFBQWXLl1q/bZWCyNHwssvg9HjIFCwSCtBQUHW1tY6nc7Pz0+lUv3uvaIiUChArYYBA8DNzXg7FCzyOzY2NiNGjBCLxfn5+X5+fuO8vcHWFiwtQSSCtWth5UqYNw9cXeHcOePtSJ7M5pI/i4qKisLCQmtr6zt37gBAw507UFvb8p5OBxIJAICFBWi1xtuhPRa5T6/XT58+/fbt2z4+Prdu3aqpqTl07BjU1IBaDYgQEQFLlsDevXDqFHh4GG+KLpsh9yUlJS1dutTR0bGgoMDR0bGNiupqqKgAd3ewsDDeFAWLtMjPz/fx8dHpdD/99FNAQMBjtsa5j3XrFqxfDxoNhIbCoEF810UeQ11dXWhoqEajiYmJefxUATz29Vh6vd7Y2woF3ryJajW+/fZjrqhzy85GRKysxMJCXqtwdsaaGszIwJycNt6dOnUqAIwYMaK5udksq3usznttba23t/e+ffvarWhuBjs7sLCAbt1Ao3mcdXVuu3YBAJSXQ14er1X4+sKnn7asy8UFXFzAzU3l4uLi4uLi7Oycnp5uY2Ozfft2S0tLs6xOIFgVFRVG3o2MjDxx4sTy5cuxvY6apSXcvg06HTQ0CHb3nmaFhfDRR7Bpk0nF8fEAANXV8M9/dmAVDg7Qty/k5cHFi1BSAiUlcOVKdklJSUlJSXl5uUwm8/X1NfF6dlMYC1ZVVdWIESMmTZpUa5jJeEBKSsquXbt69OixdetWw0WrrUVEwOefQ1ISREebZXM7Kw8PiI2FyEiTiisr4eZNqK6GurqOreWdd+DYMejZs+Wfnp657EVERERDQ8Pp06fb3UF0nLHO+5kzZ5qamnbu3Hny5Mm0tLRRo0YZ3jp79uzChQsB4KuvvurXr1+7TUyYAL/9BjY24OQEgweba6P/FPR6fVlZmZOTk0QiPELq2xcAoGtXsLcXbrmqCnbuhPr6DmxMURHU1MCpU5CeDhcutIyjunUb/+abcgAYN25cdnb2jRu3Tp4sHjFiQAfaNcJ4F+zq1as+Pj4AIJFI4uPjtVotIqpUqiFDhgDA7NmzjS2s16OlJQIgAG7bZpYu4RNSWooZGVhS8mhLNzc3p6amuru7S6XSgQMHXrx4UXCRSZOwrg5PncIHLjRv1/z5iIjXr2NioqmbtHgxAuDcue0WJCZe6dFDv2iRqQ0KEh4VajQaw4X0vr6+ZWVl7777LgC4ubk1NjYaW7KyEgFQIkEA/O9/zbbJvJWU4Pz5eOECvvceXr7coUWrq6sTExN79erFvrQWFhYAYGNjs2XLFuMLhoVhbCzm5GBGhvBaduxARLx9uwO/1EGDEAAPHWq3ICcHAbB/f1MbFGTqdENWVlbv3r0BQC6XA4BUKj116pTxRc6ePh08YMBcR8cto0fXXrr02Jv6pGzYgCdOICKeOYNr15q4UHFxsUKhYDcjAMDQoUPXrVsXGBho6H1OmjSppqam1VI6HWZm4ubNGB2Nycm4ahVmZKBOJ7CugADcuROvXMHkZJO2rbwcra3Rzg41mnZrdDrs3RtlMrx61aQ2BXVgHqu6ujogIEAkEllYWHh5eQnsrhD37t0LAGxXd+fOncfbzidoxw788UdExKws3L5dsFylUvn6+rKPKRaLg4KCDh06hIgajeaDDz5gwWLdrL59+/78889sqYaGho0bS1xcEAB79sQFC1CjQV9fTEhAd3c08p1VqTA6GufPx9OnTQrWihV47Rrevi183FyxAg8cQETcvFm4WUEdCJZWqx07dqwhK8OHDdMWFRmpT0xMZF/Wbt26PfZ2PkHNzahUYmIiKpV4965geUJCgo2NTZcuXcLDw4se+oVkZ2c/++yzhsOiRCKJjo6Oi4uztbX19BwHgC4uuHo17t+PiFhQgGPGIABaWWFKyt1Wk885ORgSgp6eGB2NV6/i9On45ZctXwEj5s3D995DlQpjYgQq4+MxIgJVKlywQPBDC+tAsBISEgDA0dHxyJEjHh4eK8eORSurNr81upyckOBgw/2NFhYWW7duFWy/vr7+5s2bHdh2Tv71L/TwwCFD8O9/N6U8NjYWABwcHBQKRZsFlZWVhut9AcBwuHzxxRd3725sdeBTqVChQJEIvb2Txo8ff/36dbVa/c0330yd+hkbBVlbY2QkIuInn2BwMALgxIn40DEWEbG8HNPSMDoav/sO09PbDVZZGfr54eHDGB+PeXn48cdPNli5ubkWFhZisZjdINt4545+1qyWEd+ePfjLL7h7NzY2Yno6enkhwIqRI6VSaVhY2CuvvMLi9f77F+rr2268srIyPj7ezs5OLpeHhoYKHmT5io5u+Vze3qaUR0REsKAEBga2V6PX65OTk6VS6WuvvQYA/fr1y83NNdLmvn2/2draAkCPHj3s7e1ZHAcOvBkTgxUV2NSEiKjV4pYtKJcjAL70Us3x48cNi58+XRcejpaWKJEgG7jPno1RUfjqq60Psvv2nbG1RQDs0QNjYrChARMScNo0Uz63AJOCVVtbyyar/t7qS5yRgWFhuH49pqbi//6HM2bg668jANrbV61YcePGDVa1cePGgIBPAdDVFfPyftfAmTM4e7a2R49n2d+G9UUGDx5caPScmUajWbly5dy5cx/8bZrNlCktwZowwZRy9qQDAJg5c6bxytLS0uXLlwOAUqkUbPb69esymYx10ZydnTdu3Hi3reNycTH6+mr79/eXSCRxcXEHDhwICgrq02d0ly4okeBbb+GaNYiIly+37N6kUly1CvV6vUqlUigUIpGoX79dYjEC4Ouv49272Nho+ojFGJOCNWXKFADw8vJq+wzlnDktL5Ytw337cP36lu/UAy5cQE9PBMDnn8dPPkFETErCgAAUiRAAx479NigoKCsrq6ioyMPDAwCsrKySk5MfPsNdX1+fnJzct29fViOXy9evX9+xTyxkb2TkoYEDz3h4VMbGmlLv7u7OghUXFydYvGDBAgBYuXKlKS137dqVtbxp0yYjZWq1etGiRazjYejUJiaWtRrfGQ6yo0efDQgI2LJlC+suu7pOBcDwcDTv+Eo4WBs2bGCTMZfamzKYOxdZ4KKisKGhvXbu3sXYWNy4Ed98E4uKMCoKhw1DGxt87z0sLr4foKamJoVCwX5Bb7zxhqHXVVpa+v7777PJDgB47rnnDH/RsLCwurq69tabk5Mzbtw4Ozu7WbNmNT2U+IcZzpd99NFHgsWI+Mwzz7D6devWCRazu4e//fZbwUp2Go09gePgwYOC9ampqWKxWC6Xr1ixwshvY88edZ8+zwFAz549WXAdHBx37jT/mF04WJs2bZLJZNuMTJ0XFmJUFMbFmbIPzczE7GycNQsXLMCiImzvYTiZmZmsk+Ho6PjZZ5+Fh4cbToz4+PhkZGSwcwCpqak2NjZsJH/s2LEHW1CpVBs2bDCEj520d3d3P290JIuIVlZWbBHBWU1EbGpqMgyT9+7dK1j/wgsvAMDRo0cFK1XnzpWNGnW4T5+9Y8eWnzsnWH/kyBE29hSJRIZOSJvYg4osLS2tra29vb2Li4sFG38EJh0Ky8vLzbW+zEw8ehQPHsTBgwUqr1279uKLLxo6XpaWliEhIQ/3eUtKSkaOHAn3TjrpdLqqqqpPP/3UycmJ5aNXr17x8fHHjx8fMmRI927dSlxcMDkZ27qM7FRu7sSJE0UiEQtKVFSU4MdhTzFgqT158qRgPTuIm/S3PHAAAbBLFwRo9/v3gLS0NEM/lX3rjLh+/To7YmqMzJk+nif9GKOCAiwtRTRtFk6j0cycOdPV1VWpVFZUVLRX1tzcHB0dzfq59vb2hl3O8OHDt23bplarWVljY2NubGxLx3zGDPYjRESdDvfsQX//c6NHs5QYQjlt2jQjh5WqqqrIyEgAsLOzW7p0qfFnkel0uqamJqlUCgCmHJFx8+aWTZXJhIsRV6+uc3U96uQ0fsyYIMHi06dPs0GSKS0/micdrNRUZDsddibVjLKzsx0cHKysrMRisb+/f7uPBcvMRFtbTEvDuXPxiy9w1iz84gv2J9Q/+2zCkiUswQ8eZA3T5QaXL182nMBhPRU3N7czZ860ucKGhob169cPGjRo8eLFAGBra2vS5/nxRwwIQGdnHDXKlHKlsiWHI0cKF7NrM8ePH2/SljySPyBYX3yBP/xg4li+Y86ePbtmzZpff/1VoK6mBrOyMD0dEfHSJUxKwuefxzVrWo2LSktL2ZVCD17ZkZOTExISwvrULMFr165l13o8PJItLy//8MMPDb17qVQqlUqNP6/svu++w6VLceFCFPw4iIgYGtoSrOBg4WI2IIuIiDBpSx7JHxCsf/8bT53CqVOf8Jp/b98+3L0bEbG8HBMS2qt68CA7YMAAt3v3lctksjlz5hiuh2FzQuwtNl1eUlISFhZmuMzXMPJwcnL6UfAsDPO3vyEi6vUtL4w6cQKzsjAxEadNQxNGnLhs2TIAWLJkiUlb8kg6z6GwYxoacMYM/M9/UKFAoTEXO9/HHmDn4OAQHx9fXV39cNn333/PHuDp6Oi4ZcsWsVgsEokMVzcMHz48NTVVsFvdQqvFefNaXr/zjmD5/Pm4eDEiognjDUTE2bNnA0BKSopJ1Y/kSQervh5VKkTEqqonvOaH3LmDP/9s4nYUFxcrlcply5a1Of1t8Ntvv40ZMwYeeMCwRCKZPHlyfn5+hzdvzhwsKsLDh/Ef/xCsVSrxq6/w+HFTg/Xqq68CwK5duzq8VSajh9uamVarjYuLk8vlNjY2CoXi6iNf36RS4fbt+MMPbc6MtKJUolaLs2ejQoFff423bxsrvnXrFpv1MH6+8jFRsLhobGy8bfzPa1ZJSYiIubktp2r798dffmmj7MqVKwqFgg1ju3fvPoPNufBBwepULl9mF5egq2vzxx8v1927KOfIkSMTJkxgE78ikcjb25tdH7Zs2TJOW0LB6mzUaoyJQTe3cADw9fXdvHmz4fYqS0vL8PDwwsJC9nRk1hFcvXo1j82gYHVOBw8eZPd0sCk3e3v7mJgYw6m5/Px8Nv3LCnaw2zPMioLVaVVWVrL/SGL69Ol5ra6DQzx06BA7v8Smdk05L94hFKzOzN/fn0Vn1qxZD7+blpZmuIqre/fuJ9i9SWZCT/TrzAxn09t8BseUKVPYFa3du3evr6+PNPEOf9PQM0g7swED1sjlSXZ21V27PtNmwcKFC2Uy2dmzZ1NSUvr06WPGVdMT/TqzlBSYNw8AwM4Obt5su6a4+Iq7u5tWq83Lyxs+fLi5Vk17rM6M7YPEYrh1C1QqaPO/64qJcR416iM3t3Izpgpoj9W57dgBOh306gWNjfDXv7ZRcPgwvPQSyOVw8SL07m3OVVPnvTM7dgyOH4exYyErq+2C9HQAgNhYM6cK6FDYuYnF4OcHmZmACH/5C7i7g5cXeHuDpyd88AGsXg1vvw2ennDvlltzomB1cq+/DvPnQ00NFBRAQQGwWy6GDgW5HDZtAhsbGDoU7k2UmhMFqzMbMAAAQKmE7duhoADy8yE3F/Ly4PnnQS6H8+ehf/+WhwmaHXXen1ILF0JMDPj7w7p18MAzQM2GOu9PqZEjwd4elEooLOTSPu2xnl61teDsDFotXL0K955uaTa0x3p6PfMMvPwyNDfD2rXmb5yC9VRTKqFfP/WJE9vYQyjMiIL1VPPxgd69x/30U9jWrVvN2zIF62kXFaUAgC+//FKv15uxWZrHetoFBwe/9dZbkydPNm+zNCokXNChkHBBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJcULAIFxQswgUFi3BBwSJc/B+4IHt/ZqXPMAAAAvx6VFh0cmRraXRQS0wgcmRraXQgMjAyMy4wOS40AAB4nH2SbUhTURjHz85272bOzZe5zensbnNveoWasUJS7+3FTyXShwKxOGLE/ZBI9KaRKZFBadHASikwY5UhUV+yiW+7YSiWJhUGMTSyDxVEEqGGFd09cw4UPXD4/+7//M9znnO4PwYeTSFpaFFs5EpzszQbZDQiksrkSs4lqVxOcwKojI4YiqhGA7Hgko9gA5YqRQxVRHFsYbnScumVZ0ATGK8sEdXY+vq6Zi+xQoykiuilV+mqDte69Xp3WgIVt/QOK7bGIxmSYYLlApYriIISsIImtFLAShWjimPiNrhwXDwTr2bUCQJO0BCNVsDaRJSYhJKSXTgphUnRIV0qStUjvQEZjMiYhtJMjCndhU0ZTIYZmTOReSMyM0hrIRarVNZGbFkkyy5gu4NxOAXsdBGXW8DubGLPITmsgCkZsaoJayOsnGQ7iI6S+qRkUncUTSttrHTLBI3WYlVTWTY2x045Hdlul8GBpRdb/p9M7ky+syQQDH/sJDo+/0wzcHcZw3uHdgNPFCfyjxf/DIbZ0/OL83bYwa8c/c39bDoPXBMa4/S+D5DJefeGM4+UD4T52HwX59+UXRRmua2Be+YpKwhz+/5TXJ0jAHlfs4d7T1VD5ujw06K+WX9hmI3+fYWN39vAz/vbMujbawCWhToHW+4egb0hPRukW0Xg0onaYMWYBfjbx+rgkLUc8jf6OoNVue2RTNvr4MHZHuhtoGox+KCxFvzt9iRxyiD2h/m41imefLIF/Im6fDE04oF+lEKpeKF7GvYenqwU32pmwL9cViEO987DWbeCtWKBkYXM2ZsXxdvlXvB9d6+I3ksIao4Z68WtHXPgd5VcE/3TL4FP+yb77+DPkGn/0lE003sduK3zHzfTPQpnjQdofurAV8iPBTJ5pinCC+MsT9Xv4MJcfMjOM5+uAqe/2MZ7bF3ANXl7+NBcxJ8f38Xfb43kz7kd/D38Cuo/fJ7Mn9AsQP/6/5Hz5GtIkhN4AAAD93pUWHRNT0wgcmRraXQgMjAyMy4wOS40AAB4nH1WW44jNwz8n1PoAhb4lMTPnZlFsAh2BkgmuUP+c3+kKGfU3g0R203Y6mqpVCxSfmr5+u3117/+buclr09PrdH/fCKi/alE9PS95Zf2/PWXb2/t5ePL8+fIy/sfbx+/N/NmgWfw/hH75eP9++cIt5cWfS0n9XbzPj0GcaNO+3U9Ku0NQJnquH2zritCqAAqZmQMi7CNdtNOQVxOaXtt4ilrtRv3mMO0AjqAsw+bg2a7Sfc1Y3gBHCA5+yIP9yRJM3xpAZwAjm6qPDSXnjTdK+DC0gMLLoXuN+rCniT+CwzM6F2n5tLUxzDQKHCM/DQwI5Nped9VZrVp5vbetC8L0pkcTdeY5ZSZG+lzxdLMSKiOcte8c9NNiG3hvmaOogJmarBZ8kmGJ4TER0kyUwNukDFmyuLBJJU+PO5I5cCiKWUQBa8KOhMqfay1wvMhZzGXCpr5gcegkepO0FAhq3zJAT0BnbaYUp3lEWWKYOv3rAWYnYRzfTH1e7Z+hmb93OCkNQ2OxPo64KmKqkhC4U6fuzAgAJ6JUUEzTzeUxmQPSiiFySoJ2JaVuhnLlMRO8lXqKvdkcR8ODrkwT/Mop81KujGKVxyZzWlNR2hlFtnpYuuisSxdYqY2Sw1WKgsoLRvQHjWvbjXZnS72PigcgoABj0WlC7PnATv6AoWR7pss6iV0J4wnVDKd2zFOQqUIujMGCoH0+2YrAx2lgu6M8eqkkIAB9ZBZ+kB3xrAbsjlpN5/FqmUr9V2vMixQ47vMYpaO0XvnQ7ejldtGF4qyDDU739otALIzFJOoN792d44Ezg009ypR8MRu+IvIkTRYRlHZVfsxuiMVasJ+1lEyXCMzSzCqo1ZRYuir6KZWbdwyR4zmN9Ch7nPOodWGTGEoIDV5ruRp5KPSyAwaJc/lvPOSvi73br5FwgnmsqvfltmqDPL17fWHc/d+Ej+/v71eJ3G+5TpvDZdep6rldR2d+fbrgMSPNq5jMH/O67AzXOs60hhXXAcX5/V4QEkG5oeTiPfIIQc38g6HHydBBD4UORki8GHJSROBD1G4gHc4XNNrOxy6sKlk4MOYk3IOP3ZsziCHs2wx8bkETc4Icjijq3AGOZzRTTmDHM5IK2eQw1mSM4Iczig02eFwltQ4Rw5nSc5ZHo9Ni9vuSA+96T5yOKv8O3L5YOs80EUe+oll0MNZU2c4/FDWNASCHsqankDQQ1mTMoIeyihs2+GxgG2HQxmFajscypbGzXAo2/buQlk9FJjtcCjnf1XY9pplM/YHg1kyBuzaFf7C7JFr2iSM1a4tZNU91lj+/vynjO9P/wAH6iBljQFlkwAAAfp6VFh0U01JTEVTIHJka2l0IDIwMjMuMDkuNAAAeJw9UkmO40AM+8ocHaBc0FqSYMwp9/QjfM98oB8/VKXRQQ42LVIUpeeb71vu482P9328nsffr8frBnYfz/3y9ezf6+f5eD7wfz7uG/UMxnkrav8p2MJ/vo+amU46Tp/htcZVU0J9nDY1q2RcTJNEeJw6qYi7gjikxsmzYpmOK+ayWCiR6RmtEjOp5SBDUZ7jWtNUeTUrKNwb8UwbJ01hXxTj8qmhYNFcyyAwLtDJJICQqwS660wrstYxzQWWzMhKRU2pLjxc+CTEDkTh3Gpc6EEeoDEexOEQfF5aiSIvJvRoSLl6VEgRFcM2RlqZe1hnMVhCDkWq2/hSgWZDYcmQSq9q34gTMZI0T0y91ZFAhq3m6UIUyPZETh5w2h3xraM7kS+gaozKJLVtYAtmrA0GeW5rzHO5dzgc5tVGGEsS395MV2k1ZlM+g5qphXwgSljBBtVtIz4X1TbCKwnLBLZmioEXLOobCXS3Le8k9Gnps9CrtWTFbpiTNDtrL4keCaJkEXv5ybpXJMuKx14DzOFicCbULrWaNq7cWxTIpEhVH179AtY7RChJiBtD96R4VcVl2bTVdpGP91pwVp9rYpzKkrULYukG9EfAqJfUEum8XaT13RbCFZedaJqlj8f3f8OpuBxT32qMAAAAAElFTkSuQmCC\" alt=\"Mol\"/></div></td>\n",
+       "      <td>6.42</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 7 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000        Cc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1   \n",
+       "RepresentationTutorialDataset_0001       CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1   \n",
+       "RepresentationTutorialDataset_0002  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_0003             OCC1OC(n2cnc3c(NC4CCSC4)ncnc32)C(O)C1O   \n",
+       "RepresentationTutorialDataset_0004  Cc1cc(C)cc(-c2nc(Nc3ccc(Cl)cc3F)c3ncn(C4OC(Cn5...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077  CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn...   \n",
+       "RepresentationTutorialDataset_4078  O=C(NC1CCC1)C1SC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)n...   \n",
+       "RepresentationTutorialDataset_4079                     COCCNC(=O)c1cc2cccc(OC)c2oc1=N   \n",
+       "RepresentationTutorialDataset_4080               Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1   \n",
+       "RepresentationTutorialDataset_4081  Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)OCCCCCNC(=O)OC(C...   \n",
+       "\n",
+       "                                    pchembl_value_Mean  \\\n",
+       "QSPRID                                                   \n",
+       "RepresentationTutorialDataset_0000                5.28   \n",
+       "RepresentationTutorialDataset_0001                6.94   \n",
+       "RepresentationTutorialDataset_0002                7.23   \n",
+       "RepresentationTutorialDataset_0003                5.01   \n",
+       "RepresentationTutorialDataset_0004                5.37   \n",
+       "...                                                ...   \n",
+       "RepresentationTutorialDataset_4077                5.78   \n",
+       "RepresentationTutorialDataset_4078                6.26   \n",
+       "RepresentationTutorialDataset_4079                6.30   \n",
+       "RepresentationTutorialDataset_4080                6.57   \n",
+       "RepresentationTutorialDataset_4081                6.42   \n",
+       "\n",
+       "                                                                QSPRID  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000  RepresentationTutorialDataset_0000   \n",
+       "RepresentationTutorialDataset_0001  RepresentationTutorialDataset_0001   \n",
+       "RepresentationTutorialDataset_0002  RepresentationTutorialDataset_0002   \n",
+       "RepresentationTutorialDataset_0003  RepresentationTutorialDataset_0003   \n",
+       "RepresentationTutorialDataset_0004  RepresentationTutorialDataset_0004   \n",
+       "...                                                                ...   \n",
+       "RepresentationTutorialDataset_4077  RepresentationTutorialDataset_4077   \n",
+       "RepresentationTutorialDataset_4078  RepresentationTutorialDataset_4078   \n",
+       "RepresentationTutorialDataset_4079  RepresentationTutorialDataset_4079   \n",
+       "RepresentationTutorialDataset_4080  RepresentationTutorialDataset_4080   \n",
+       "RepresentationTutorialDataset_4081  RepresentationTutorialDataset_4081   \n",
+       "\n",
+       "                                      Year  \\\n",
+       "QSPRID                                       \n",
+       "RepresentationTutorialDataset_0000  2006.0   \n",
+       "RepresentationTutorialDataset_0001  2009.0   \n",
+       "RepresentationTutorialDataset_0002  2006.0   \n",
+       "RepresentationTutorialDataset_0003  2007.0   \n",
+       "RepresentationTutorialDataset_0004  2018.0   \n",
+       "...                                    ...   \n",
+       "RepresentationTutorialDataset_4077  2010.0   \n",
+       "RepresentationTutorialDataset_4078  2006.0   \n",
+       "RepresentationTutorialDataset_4079  2012.0   \n",
+       "RepresentationTutorialDataset_4080  2005.0   \n",
+       "RepresentationTutorialDataset_4081  2020.0   \n",
+       "\n",
+       "                                                                        SMILES~QSPRID  \\\n",
+       "QSPRID                                                                                  \n",
+       "RepresentationTutorialDataset_0000  Cc1ccc(Nc2nc3c(cccc3)c3c2nc(C2CCCC2)[nH]3)cc1~...   \n",
+       "RepresentationTutorialDataset_0001  CC(=O)Nc1ccc(Cn2nnc3c2nc(N)nc3-c2ccco2)cc1~Rep...   \n",
+       "RepresentationTutorialDataset_0002  CCNC(=O)C1OC(n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc...   \n",
+       "RepresentationTutorialDataset_0003  OCC1OC(n2cnc3c2ncnc3NC2CCSC2)C(O)C1O~Represent...   \n",
+       "RepresentationTutorialDataset_0004  Cc1cc(-c2nc3c(ncn3C3OC(Cn4nc(C)cc4C)C(O)C3O)c(...   \n",
+       "...                                                                               ...   \n",
+       "RepresentationTutorialDataset_4077  CC(C)n1cnc(CCNc2nc3c(ncn3C3CC(NC(=O)Cc4ccccc4)...   \n",
+       "RepresentationTutorialDataset_4078  O=C(NC1CCC1)C1SC(n2cnc3c2nc(Cl)nc3NCc2cc(I)ccc...   \n",
+       "RepresentationTutorialDataset_4079  COCCNC(=O)c1cc2c(oc1=N)c(OC)ccc2~Representatio...   \n",
+       "RepresentationTutorialDataset_4080  Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1~Represent...   \n",
+       "RepresentationTutorialDataset_4081  Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCCCCCNC(=O)O...   \n",
+       "\n",
+       "                                                                               RDMol  \\\n",
+       "QSPRID                                                                                 \n",
+       "RepresentationTutorialDataset_0000  <rdkit.Chem.rdchem.Mol object at 0x7fa57a35bca0>   \n",
+       "RepresentationTutorialDataset_0001  <rdkit.Chem.rdchem.Mol object at 0x7fa57a0de420>   \n",
+       "RepresentationTutorialDataset_0002  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056500>   \n",
+       "RepresentationTutorialDataset_0003  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056490>   \n",
+       "RepresentationTutorialDataset_0004  <rdkit.Chem.rdchem.Mol object at 0x7fa57a056730>   \n",
+       "...                                                                              ...   \n",
+       "RepresentationTutorialDataset_4077  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e420>   \n",
+       "RepresentationTutorialDataset_4078  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e490>   \n",
+       "RepresentationTutorialDataset_4079  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e500>   \n",
+       "RepresentationTutorialDataset_4080  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e570>   \n",
+       "RepresentationTutorialDataset_4081  <rdkit.Chem.rdchem.Mol object at 0x7fa579d9e5e0>   \n",
+       "\n",
+       "                                    pchembl_value_Mean_original  \n",
+       "QSPRID                                                           \n",
+       "RepresentationTutorialDataset_0000                         5.28  \n",
+       "RepresentationTutorialDataset_0001                         6.94  \n",
+       "RepresentationTutorialDataset_0002                         7.23  \n",
+       "RepresentationTutorialDataset_0003                         5.01  \n",
+       "RepresentationTutorialDataset_0004                         5.37  \n",
+       "...                                                         ...  \n",
+       "RepresentationTutorialDataset_4077                         5.78  \n",
+       "RepresentationTutorialDataset_4078                         6.26  \n",
+       "RepresentationTutorialDataset_4079                         6.30  \n",
+       "RepresentationTutorialDataset_4080                         6.57  \n",
+       "RepresentationTutorialDataset_4081                         6.42  \n",
+       "\n",
+       "[4082 rows x 7 columns]"
+      ]
+     },
+     "execution_count": 23,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import QSPRDataset\n",
+    "from qsprpred import TargetTasks, TargetProperty\n",
+    "\n",
+    "dataset_qspr = QSPRDataset(\n",
+    "    df=df,\n",
+    "    store_dir=\"../../tutorial_output/data/\",\n",
+    "    name=\"RepresentationTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=random_state\n",
+    ")\n",
+    "# or\n",
+    "dataset_qspr = QSPRDataset(\n",
+    "    df=df,\n",
+    "    store_dir=\"../../tutorial_output/data/\",\n",
+    "    name=\"RepresentationTutorialDataset\",\n",
+    "    target_props=[TargetProperty(\"pchembl_value_Mean\", TargetTasks.REGRESSION)],\n",
+    "    random_state=random_state\n",
+    ")\n",
+    "dataset_qspr.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "You can see that some rows from the original data frame were dropped automatically because they did not have a value for the specified `GABAAalpha` target property.\n",
+    "\n",
+    "You may also notice that in this data set we are now missing our descriptors:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 24,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:15.865478666Z",
+     "start_time": "2024-01-17T09:49:15.858032162Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:19.950176Z",
+     "iopub.status.busy": "2023-09-21T15:43:19.949867Z",
+     "iopub.status.idle": "2023-09-21T15:43:19.955631Z",
+     "shell.execute_reply": "2023-09-21T15:43:19.954849Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[]"
+      ]
+     },
+     "execution_count": 24,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset_qspr.descriptors"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:15.871342813Z",
+     "start_time": "2024-01-17T09:49:15.863197550Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:19.959028Z",
+     "iopub.status.busy": "2023-09-21T15:43:19.958232Z",
+     "iopub.status.idle": "2023-09-21T15:43:19.967376Z",
+     "shell.execute_reply": "2023-09-21T15:43:19.966420Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0003</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0004</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4077</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4078</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4079</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4080</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_4081</th>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
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+       "Empty DataFrame\n",
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+       "Index: [RepresentationTutorialDataset_0000, RepresentationTutorialDataset_0001, RepresentationTutorialDataset_0002, RepresentationTutorialDataset_0003, RepresentationTutorialDataset_0004, RepresentationTutorialDataset_0005, RepresentationTutorialDataset_0006, RepresentationTutorialDataset_0007, RepresentationTutorialDataset_0008, RepresentationTutorialDataset_0009, RepresentationTutorialDataset_0010, RepresentationTutorialDataset_0011, RepresentationTutorialDataset_0012, RepresentationTutorialDataset_0013, RepresentationTutorialDataset_0014, RepresentationTutorialDataset_0015, RepresentationTutorialDataset_0016, RepresentationTutorialDataset_0017, RepresentationTutorialDataset_0018, RepresentationTutorialDataset_0019, RepresentationTutorialDataset_0020, RepresentationTutorialDataset_0021, RepresentationTutorialDataset_0022, RepresentationTutorialDataset_0023, RepresentationTutorialDataset_0024, RepresentationTutorialDataset_0025, RepresentationTutorialDataset_0026, RepresentationTutorialDataset_0027, RepresentationTutorialDataset_0028, RepresentationTutorialDataset_0029, RepresentationTutorialDataset_0030, RepresentationTutorialDataset_0031, RepresentationTutorialDataset_0032, RepresentationTutorialDataset_0033, RepresentationTutorialDataset_0034, RepresentationTutorialDataset_0035, RepresentationTutorialDataset_0036, RepresentationTutorialDataset_0037, RepresentationTutorialDataset_0038, RepresentationTutorialDataset_0039, RepresentationTutorialDataset_0040, RepresentationTutorialDataset_0041, RepresentationTutorialDataset_0042, RepresentationTutorialDataset_0043, RepresentationTutorialDataset_0044, RepresentationTutorialDataset_0045, RepresentationTutorialDataset_0046, RepresentationTutorialDataset_0047, RepresentationTutorialDataset_0048, RepresentationTutorialDataset_0049, RepresentationTutorialDataset_0050, RepresentationTutorialDataset_0051, RepresentationTutorialDataset_0052, RepresentationTutorialDataset_0053, RepresentationTutorialDataset_0054, RepresentationTutorialDataset_0055, RepresentationTutorialDataset_0056, RepresentationTutorialDataset_0057, RepresentationTutorialDataset_0058, RepresentationTutorialDataset_0059, RepresentationTutorialDataset_0060, RepresentationTutorialDataset_0061, RepresentationTutorialDataset_0062, RepresentationTutorialDataset_0063, RepresentationTutorialDataset_0064, RepresentationTutorialDataset_0065, RepresentationTutorialDataset_0066, RepresentationTutorialDataset_0067, RepresentationTutorialDataset_0068, RepresentationTutorialDataset_0069, RepresentationTutorialDataset_0070, RepresentationTutorialDataset_0071, RepresentationTutorialDataset_0072, RepresentationTutorialDataset_0073, RepresentationTutorialDataset_0074, RepresentationTutorialDataset_0075, RepresentationTutorialDataset_0076, RepresentationTutorialDataset_0077, RepresentationTutorialDataset_0078, RepresentationTutorialDataset_0079, RepresentationTutorialDataset_0080, RepresentationTutorialDataset_0081, RepresentationTutorialDataset_0082, RepresentationTutorialDataset_0083, RepresentationTutorialDataset_0084, RepresentationTutorialDataset_0085, RepresentationTutorialDataset_0086, RepresentationTutorialDataset_0087, RepresentationTutorialDataset_0088, RepresentationTutorialDataset_0089, RepresentationTutorialDataset_0090, RepresentationTutorialDataset_0091, RepresentationTutorialDataset_0092, RepresentationTutorialDataset_0093, RepresentationTutorialDataset_0094, RepresentationTutorialDataset_0095, RepresentationTutorialDataset_0096, RepresentationTutorialDataset_0097, RepresentationTutorialDataset_0098, RepresentationTutorialDataset_0099, ...]\n",
+       "\n",
+       "[4082 rows x 0 columns]"
+      ]
+     },
+     "execution_count": 25,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset_qspr.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "This is because the `QSPRDataset` class does not know anything about the descriptors in our `MoleculeTable` object since it only uses the original data frame with the molecules and target properties. Therefore, there is also the `fromMolTable` method that allows you to create a `QSPRDataset` object from a `MoleculeTable` object while maintaining all data associated with it:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 26,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:16.982922508Z",
+     "start_time": "2024-01-17T09:49:15.871283340Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:19.970483Z",
+     "iopub.status.busy": "2023-09-21T15:43:19.969904Z",
+     "iopub.status.idle": "2023-09-21T15:43:20.487309Z",
+     "shell.execute_reply": "2023-09-21T15:43:20.486533Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[<qsprpred.data.tables.mol.DescriptorTable at 0x7fa5da330cd0>,\n",
+       " <qsprpred.data.tables.mol.DescriptorTable at 0x7fa63e210a30>]"
+      ]
+     },
+     "execution_count": 26,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset_qspr = QSPRDataset.fromMolTable(mt, target_props=[\n",
+    "    TargetProperty(\"pchembl_value_Mean\", TargetTasks.REGRESSION)])\n",
+    "dataset_qspr.descriptors"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 27,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-17T09:49:17.123171281Z",
+     "start_time": "2024-01-17T09:49:16.978827527Z"
+    },
+    "collapsed": false,
+    "execution": {
+     "iopub.execute_input": "2023-09-21T15:43:20.490218Z",
+     "iopub.status.busy": "2023-09-21T15:43:20.489632Z",
+     "iopub.status.idle": "2023-09-21T15:43:20.558801Z",
+     "shell.execute_reply": "2023-09-21T15:43:20.557917Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
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+       "</style>\n",
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+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>MorganFP_0</th>\n",
+       "      <th>MorganFP_1</th>\n",
+       "      <th>MorganFP_2</th>\n",
+       "      <th>MorganFP_3</th>\n",
+       "      <th>MorganFP_4</th>\n",
+       "      <th>MorganFP_5</th>\n",
+       "      <th>MorganFP_6</th>\n",
+       "      <th>MorganFP_7</th>\n",
+       "      <th>MorganFP_8</th>\n",
+       "      <th>MorganFP_9</th>\n",
+       "      <th>...</th>\n",
+       "      <th>fr_sulfonamd</th>\n",
+       "      <th>fr_sulfone</th>\n",
+       "      <th>fr_term_acetylene</th>\n",
+       "      <th>fr_tetrazole</th>\n",
+       "      <th>fr_thiazole</th>\n",
+       "      <th>fr_thiocyan</th>\n",
+       "      <th>fr_thiophene</th>\n",
+       "      <th>fr_unbrch_alkane</th>\n",
+       "      <th>fr_urea</th>\n",
+       "      <th>qed</th>\n",
+       "    </tr>\n",
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+       "      <th>QSPRID</th>\n",
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+       "  </thead>\n",
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+       "      <th>RepresentationTutorialDataset_0000</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
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+       "      <td>0.0</td>\n",
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+       "      <td>0.0</td>\n",
+       "      <td>0.493001</td>\n",
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+       "      <th>RepresentationTutorialDataset_0001</th>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.577514</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>RepresentationTutorialDataset_0002</th>\n",
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+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 2258 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                    MorganFP_0  MorganFP_1  MorganFP_2  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False       False       False   \n",
+       "RepresentationTutorialDataset_0002       False        True       False   \n",
+       "RepresentationTutorialDataset_0003       False       False       False   \n",
+       "RepresentationTutorialDataset_0004       False       False       False   \n",
+       "...                                        ...         ...         ...   \n",
+       "RepresentationTutorialDataset_4077       False        True       False   \n",
+       "RepresentationTutorialDataset_4078       False       False       False   \n",
+       "RepresentationTutorialDataset_4079       False       False       False   \n",
+       "RepresentationTutorialDataset_4080       False       False       False   \n",
+       "RepresentationTutorialDataset_4081       False       False       False   \n",
+       "\n",
+       "                                    MorganFP_3  MorganFP_4  MorganFP_5  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False       False       False   \n",
+       "RepresentationTutorialDataset_0002       False       False       False   \n",
+       "RepresentationTutorialDataset_0003       False       False       False   \n",
+       "RepresentationTutorialDataset_0004       False       False       False   \n",
+       "...                                        ...         ...         ...   \n",
+       "RepresentationTutorialDataset_4077       False        True       False   \n",
+       "RepresentationTutorialDataset_4078       False       False       False   \n",
+       "RepresentationTutorialDataset_4079       False       False       False   \n",
+       "RepresentationTutorialDataset_4080       False       False       False   \n",
+       "RepresentationTutorialDataset_4081       False       False       False   \n",
+       "\n",
+       "                                    MorganFP_6  MorganFP_7  MorganFP_8  \\\n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000       False       False       False   \n",
+       "RepresentationTutorialDataset_0001       False        True       False   \n",
+       "RepresentationTutorialDataset_0002       False       False       False   \n",
+       "RepresentationTutorialDataset_0003       False       False       False   \n",
+       "RepresentationTutorialDataset_0004       False       False       False   \n",
+       "...                                        ...         ...         ...   \n",
+       "RepresentationTutorialDataset_4077       False       False       False   \n",
+       "RepresentationTutorialDataset_4078       False       False       False   \n",
+       "RepresentationTutorialDataset_4079       False       False       False   \n",
+       "RepresentationTutorialDataset_4080       False        True       False   \n",
+       "RepresentationTutorialDataset_4081       False        True       False   \n",
+       "\n",
+       "                                    MorganFP_9  ...  fr_sulfonamd  fr_sulfone  \\\n",
+       "QSPRID                                          ...                             \n",
+       "RepresentationTutorialDataset_0000       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0001       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0002       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0003       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_0004       False  ...           0.0         0.0   \n",
+       "...                                        ...  ...           ...         ...   \n",
+       "RepresentationTutorialDataset_4077       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_4078       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_4079       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_4080       False  ...           0.0         0.0   \n",
+       "RepresentationTutorialDataset_4081       False  ...           0.0         0.0   \n",
+       "\n",
+       "                                    fr_term_acetylene  fr_tetrazole  \\\n",
+       "QSPRID                                                                \n",
+       "RepresentationTutorialDataset_0000                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0001                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0002                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0003                0.0           0.0   \n",
+       "RepresentationTutorialDataset_0004                0.0           0.0   \n",
+       "...                                               ...           ...   \n",
+       "RepresentationTutorialDataset_4077                0.0           0.0   \n",
+       "RepresentationTutorialDataset_4078                0.0           0.0   \n",
+       "RepresentationTutorialDataset_4079                0.0           0.0   \n",
+       "RepresentationTutorialDataset_4080                0.0           0.0   \n",
+       "RepresentationTutorialDataset_4081                0.0           0.0   \n",
+       "\n",
+       "                                    fr_thiazole  fr_thiocyan  fr_thiophene  \\\n",
+       "QSPRID                                                                       \n",
+       "RepresentationTutorialDataset_0000          0.0          0.0           0.0   \n",
+       "RepresentationTutorialDataset_0001          0.0          0.0           0.0   \n",
+       "RepresentationTutorialDataset_0002          0.0          0.0           0.0   \n",
+       "RepresentationTutorialDataset_0003          0.0          0.0           0.0   \n",
+       "RepresentationTutorialDataset_0004          0.0          0.0           0.0   \n",
+       "...                                         ...          ...           ...   \n",
+       "RepresentationTutorialDataset_4077          0.0          0.0           0.0   \n",
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+       "RepresentationTutorialDataset_4081          0.0          0.0           0.0   \n",
+       "\n",
+       "                                    fr_unbrch_alkane  fr_urea       qed  \n",
+       "QSPRID                                                                   \n",
+       "RepresentationTutorialDataset_0000               0.0      0.0  0.493001  \n",
+       "RepresentationTutorialDataset_0001               0.0      0.0  0.577514  \n",
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+       "RepresentationTutorialDataset_0004               0.0      0.0  0.263458  \n",
+       "...                                              ...      ...       ...  \n",
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+       "RepresentationTutorialDataset_4081               4.0      1.0  0.138919  \n",
+       "\n",
+       "[4082 rows x 2258 columns]"
+      ]
+     },
+     "execution_count": 27,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "dataset_qspr.getDescriptors()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now you know how data sets are represented in QSPRpred. Before you start modelling, you should also check out the [data preparation tutorial](data_preparation.ipynb) to learn how to prepare your data sets for modelling. This tutorial covers additional preparation steps such as data filtering, feature selection and standardization through the `QSPRDataset.prepareDataset` method."
+   ]
+  }
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diff --git a/tutorials/basics/data/data_splitting.ipynb b/tutorials/basics/data/data_splitting.ipynb
new file mode 100644
index 00000000..d73a2820
--- /dev/null
+++ b/tutorials/basics/data/data_splitting.ipynb
@@ -0,0 +1,2077 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "266bdeef253a2ecc",
+   "metadata": {},
+   "source": [
+    "# Data Splitting\n",
+    "\n",
+    "In this tutorial, we will learn how to split data into training and test sets, perform cross-validation and bootstrapping, and use customized splits in hyperparameter optimization and model assessment. \n",
+    "\n",
+    "Let's get started!"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "d8f622ffb928b21b",
+   "metadata": {},
+   "source": [
+    "First we will create the dataset we will be working with."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "a196b40f1b8b7b53",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.507968892Z",
+     "start_time": "2023-11-01T15:25:15.923395250Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
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+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
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+       "\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>SplittingTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>SplittingTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>SplittingTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>SplittingTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>SplittingTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>SplittingTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>SplittingTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>SplittingTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>SplittingTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>SplittingTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>SplittingTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                          SMILES  \\\n",
+       "QSPRID                                                                             \n",
+       "SplittingTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "SplittingTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "SplittingTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "SplittingTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "SplittingTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                          ...   \n",
+       "SplittingTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "SplittingTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "SplittingTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "SplittingTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "SplittingTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                               pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                      \n",
+       "SplittingTutorialDataset_0000                True  2008.0   \n",
+       "SplittingTutorialDataset_0001               False  2010.0   \n",
+       "SplittingTutorialDataset_0002               False  2009.0   \n",
+       "SplittingTutorialDataset_0003               False  2009.0   \n",
+       "SplittingTutorialDataset_0004               False  2019.0   \n",
+       "...                                           ...     ...   \n",
+       "SplittingTutorialDataset_4077                True  2018.0   \n",
+       "SplittingTutorialDataset_4078                True  2008.0   \n",
+       "SplittingTutorialDataset_4079               False  2010.0   \n",
+       "SplittingTutorialDataset_4080                True  2013.0   \n",
+       "SplittingTutorialDataset_4081                True  2014.0   \n",
+       "\n",
+       "                                                      QSPRID  \\\n",
+       "QSPRID                                                         \n",
+       "SplittingTutorialDataset_0000  SplittingTutorialDataset_0000   \n",
+       "SplittingTutorialDataset_0001  SplittingTutorialDataset_0001   \n",
+       "SplittingTutorialDataset_0002  SplittingTutorialDataset_0002   \n",
+       "SplittingTutorialDataset_0003  SplittingTutorialDataset_0003   \n",
+       "SplittingTutorialDataset_0004  SplittingTutorialDataset_0004   \n",
+       "...                                                      ...   \n",
+       "SplittingTutorialDataset_4077  SplittingTutorialDataset_4077   \n",
+       "SplittingTutorialDataset_4078  SplittingTutorialDataset_4078   \n",
+       "SplittingTutorialDataset_4079  SplittingTutorialDataset_4079   \n",
+       "SplittingTutorialDataset_4080  SplittingTutorialDataset_4080   \n",
+       "SplittingTutorialDataset_4081  SplittingTutorialDataset_4081   \n",
+       "\n",
+       "                               pchembl_value_Mean_original  \n",
+       "QSPRID                                                      \n",
+       "SplittingTutorialDataset_0000                         8.68  \n",
+       "SplittingTutorialDataset_0001                         4.82  \n",
+       "SplittingTutorialDataset_0002                         5.65  \n",
+       "SplittingTutorialDataset_0003                         5.45  \n",
+       "SplittingTutorialDataset_0004                         5.20  \n",
+       "...                                                    ...  \n",
+       "SplittingTutorialDataset_4077                         7.09  \n",
+       "SplittingTutorialDataset_4078                         8.22  \n",
+       "SplittingTutorialDataset_4079                         4.89  \n",
+       "SplittingTutorialDataset_4080                         6.51  \n",
+       "SplittingTutorialDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "(4082, 2048)"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from IPython.display import display\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"SplittingTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"SINGLECLASS\", \"th\": [6.5]}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "display(dataset.getDF())\n",
+    "\n",
+    "dataset.addDescriptors([MorganFP(radius=3, nBits=2048)])\n",
+    "dataset.getDescriptors().shape"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5c8c7555a07b4949",
+   "metadata": {},
+   "source": [
+    "You can see that this dataset has not been split into training and test sets yet.\n",
+    "All the data is in the training set."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "83aefa670553945e",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.508299937Z",
+     "start_time": "2023-11-01T15:25:19.462059855Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(4082, 2048)\n",
+      "(0, 2048)\n",
+      "Index([], dtype='object', name='QSPRID')\n"
+     ]
+    }
+   ],
+   "source": [
+    "def print_split(ds):\n",
+    "    train, test = ds.getFeatures()\n",
+    "    print(train.shape)\n",
+    "    print(test.shape)\n",
+    "    print(test.index)\n",
+    "\n",
+    "\n",
+    "print_split(dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "38910baad6e0be3",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "## Training and Test Split\n",
+    "\n",
+    "We can use any scikit-learn splitter or an implementation  of `qsprpred.data.interfaces.DataSplit` to split the data set into training and test split:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "94a1982a5fb219d5",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.639395339Z",
+     "start_time": "2023-11-01T15:25:19.471278483Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(3265, 2048)\n",
+      "(817, 2048)\n",
+      "Index(['SplittingTutorialDataset_1141', 'SplittingTutorialDataset_2680',\n",
+      "       'SplittingTutorialDataset_2238', 'SplittingTutorialDataset_2607',\n",
+      "       'SplittingTutorialDataset_4070', 'SplittingTutorialDataset_3630',\n",
+      "       'SplittingTutorialDataset_0759', 'SplittingTutorialDataset_0431',\n",
+      "       'SplittingTutorialDataset_3663', 'SplittingTutorialDataset_3301',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1057', 'SplittingTutorialDataset_3547',\n",
+      "       'SplittingTutorialDataset_0424', 'SplittingTutorialDataset_0026',\n",
+      "       'SplittingTutorialDataset_0476', 'SplittingTutorialDataset_3709',\n",
+      "       'SplittingTutorialDataset_1470', 'SplittingTutorialDataset_2314',\n",
+      "       'SplittingTutorialDataset_0242', 'SplittingTutorialDataset_2999'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import StratifiedShuffleSplit\n",
+    "\n",
+    "split = StratifiedShuffleSplit(n_splits=1, test_size=0.2,\n",
+    "                               random_state=dataset.randomState)\n",
+    "dataset.split(split)\n",
+    "print_split(dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "4c6bd18879181de0",
+   "metadata": {},
+   "source": [
+    "Or we can use one of the build-in splits:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "f4120f9e6397f781",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.679773945Z",
+     "start_time": "2023-11-01T15:25:19.539260632Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(3265, 2048)\n",
+      "(817, 2048)\n",
+      "Index(['SplittingTutorialDataset_0599', 'SplittingTutorialDataset_0752',\n",
+      "       'SplittingTutorialDataset_1954', 'SplittingTutorialDataset_2928',\n",
+      "       'SplittingTutorialDataset_2512', 'SplittingTutorialDataset_2289',\n",
+      "       'SplittingTutorialDataset_0682', 'SplittingTutorialDataset_0325',\n",
+      "       'SplittingTutorialDataset_0166', 'SplittingTutorialDataset_3389',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2750', 'SplittingTutorialDataset_1233',\n",
+      "       'SplittingTutorialDataset_2915', 'SplittingTutorialDataset_1916',\n",
+      "       'SplittingTutorialDataset_2411', 'SplittingTutorialDataset_2619',\n",
+      "       'SplittingTutorialDataset_1419', 'SplittingTutorialDataset_0067',\n",
+      "       'SplittingTutorialDataset_1844', 'SplittingTutorialDataset_0937'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data import RandomSplit\n",
+    "\n",
+    "split = RandomSplit(test_fraction=0.2)\n",
+    "dataset.split(split)\n",
+    "print_split(dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "4ea42c67948014b5",
+   "metadata": {},
+   "source": [
+    "For the scikit-learn splits we need to specify the random state explicitly to ensure reproducibility. However, for the build-in splits the random state is inherited from the dataset if not specified explicitly.\n",
+    "\n",
+    "In these examples we directly used the `split` method of the `QSPRDataSet` class, however, the splitting can also be done as one of the steps in the `prepareDataset` method (see the [data preparation tutorial](data_preparation.ipynb) for more information).\n",
+    "\n",
+    "You can find an overview of all the splits in the [documentation](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.data.utils.html#module-qsprpred.data.utils.datasplitters). "
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "53daf8e828c7cf66",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "## Cross-validation and Bootstrapping\n",
+    "\n",
+    "Splits also can facilitate cross-validation and bootstrapping.\n",
+    "Bootstrapping here meaning repeatedly random splitting the data set into training and test sets. This can be useful to estimate the uncertainty of the model performance.\n",
+    "\n",
+    "For example, we can use the `StratifiedShuffleSplit` to perform bootstrapping of the data set by just varying the number of splits:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "4e43693a9e7505b6",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.846618041Z",
+     "start_time": "2023-11-01T15:25:19.614437367Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Fold 1\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_4047', 'SplittingTutorialDataset_0466',\n",
+      "       'SplittingTutorialDataset_1987', 'SplittingTutorialDataset_3851',\n",
+      "       'SplittingTutorialDataset_0110', 'SplittingTutorialDataset_2271',\n",
+      "       'SplittingTutorialDataset_4061', 'SplittingTutorialDataset_3114',\n",
+      "       'SplittingTutorialDataset_1804', 'SplittingTutorialDataset_0396',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1497', 'SplittingTutorialDataset_2860',\n",
+      "       'SplittingTutorialDataset_3140', 'SplittingTutorialDataset_2835',\n",
+      "       'SplittingTutorialDataset_0848', 'SplittingTutorialDataset_1998',\n",
+      "       'SplittingTutorialDataset_1645', 'SplittingTutorialDataset_3185',\n",
+      "       'SplittingTutorialDataset_0397', 'SplittingTutorialDataset_2471'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 2\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_2274', 'SplittingTutorialDataset_0553',\n",
+      "       'SplittingTutorialDataset_3680', 'SplittingTutorialDataset_0636',\n",
+      "       'SplittingTutorialDataset_1979', 'SplittingTutorialDataset_3851',\n",
+      "       'SplittingTutorialDataset_2268', 'SplittingTutorialDataset_0469',\n",
+      "       'SplittingTutorialDataset_0302', 'SplittingTutorialDataset_1757',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3398', 'SplittingTutorialDataset_3151',\n",
+      "       'SplittingTutorialDataset_1215', 'SplittingTutorialDataset_0808',\n",
+      "       'SplittingTutorialDataset_1037', 'SplittingTutorialDataset_0587',\n",
+      "       'SplittingTutorialDataset_1257', 'SplittingTutorialDataset_2447',\n",
+      "       'SplittingTutorialDataset_2391', 'SplittingTutorialDataset_0491'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 3\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_2398', 'SplittingTutorialDataset_3110',\n",
+      "       'SplittingTutorialDataset_0362', 'SplittingTutorialDataset_2848',\n",
+      "       'SplittingTutorialDataset_1818', 'SplittingTutorialDataset_2192',\n",
+      "       'SplittingTutorialDataset_0105', 'SplittingTutorialDataset_0215',\n",
+      "       'SplittingTutorialDataset_1147', 'SplittingTutorialDataset_2158',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1005', 'SplittingTutorialDataset_1529',\n",
+      "       'SplittingTutorialDataset_2784', 'SplittingTutorialDataset_1747',\n",
+      "       'SplittingTutorialDataset_0531', 'SplittingTutorialDataset_2976',\n",
+      "       'SplittingTutorialDataset_0529', 'SplittingTutorialDataset_1759',\n",
+      "       'SplittingTutorialDataset_3892', 'SplittingTutorialDataset_1318'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 4\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_3767', 'SplittingTutorialDataset_2013',\n",
+      "       'SplittingTutorialDataset_1353', 'SplittingTutorialDataset_1522',\n",
+      "       'SplittingTutorialDataset_1306', 'SplittingTutorialDataset_1812',\n",
+      "       'SplittingTutorialDataset_0981', 'SplittingTutorialDataset_1460',\n",
+      "       'SplittingTutorialDataset_2562', 'SplittingTutorialDataset_0608',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1887', 'SplittingTutorialDataset_1319',\n",
+      "       'SplittingTutorialDataset_2800', 'SplittingTutorialDataset_3335',\n",
+      "       'SplittingTutorialDataset_3677', 'SplittingTutorialDataset_3244',\n",
+      "       'SplittingTutorialDataset_0537', 'SplittingTutorialDataset_3936',\n",
+      "       'SplittingTutorialDataset_3740', 'SplittingTutorialDataset_1956'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 5\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_2970', 'SplittingTutorialDataset_3969',\n",
+      "       'SplittingTutorialDataset_1672', 'SplittingTutorialDataset_3259',\n",
+      "       'SplittingTutorialDataset_2659', 'SplittingTutorialDataset_3282',\n",
+      "       'SplittingTutorialDataset_2391', 'SplittingTutorialDataset_3856',\n",
+      "       'SplittingTutorialDataset_2704', 'SplittingTutorialDataset_2932',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2188', 'SplittingTutorialDataset_2804',\n",
+      "       'SplittingTutorialDataset_0625', 'SplittingTutorialDataset_0181',\n",
+      "       'SplittingTutorialDataset_0566', 'SplittingTutorialDataset_0630',\n",
+      "       'SplittingTutorialDataset_1241', 'SplittingTutorialDataset_3017',\n",
+      "       'SplittingTutorialDataset_2331', 'SplittingTutorialDataset_2405'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 6\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_2126', 'SplittingTutorialDataset_1647',\n",
+      "       'SplittingTutorialDataset_1439', 'SplittingTutorialDataset_0770',\n",
+      "       'SplittingTutorialDataset_3916', 'SplittingTutorialDataset_3941',\n",
+      "       'SplittingTutorialDataset_3806', 'SplittingTutorialDataset_0302',\n",
+      "       'SplittingTutorialDataset_2725', 'SplittingTutorialDataset_3914',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1924', 'SplittingTutorialDataset_3507',\n",
+      "       'SplittingTutorialDataset_2718', 'SplittingTutorialDataset_1115',\n",
+      "       'SplittingTutorialDataset_1070', 'SplittingTutorialDataset_0074',\n",
+      "       'SplittingTutorialDataset_1522', 'SplittingTutorialDataset_1561',\n",
+      "       'SplittingTutorialDataset_0100', 'SplittingTutorialDataset_2497'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 7\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_3117', 'SplittingTutorialDataset_0773',\n",
+      "       'SplittingTutorialDataset_0475', 'SplittingTutorialDataset_0485',\n",
+      "       'SplittingTutorialDataset_2737', 'SplittingTutorialDataset_3877',\n",
+      "       'SplittingTutorialDataset_2395', 'SplittingTutorialDataset_1012',\n",
+      "       'SplittingTutorialDataset_0000', 'SplittingTutorialDataset_1820',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0100', 'SplittingTutorialDataset_1277',\n",
+      "       'SplittingTutorialDataset_2173', 'SplittingTutorialDataset_3205',\n",
+      "       'SplittingTutorialDataset_3854', 'SplittingTutorialDataset_1785',\n",
+      "       'SplittingTutorialDataset_1892', 'SplittingTutorialDataset_2073',\n",
+      "       'SplittingTutorialDataset_1304', 'SplittingTutorialDataset_3677'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 8\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_0503', 'SplittingTutorialDataset_4049',\n",
+      "       'SplittingTutorialDataset_0845', 'SplittingTutorialDataset_1095',\n",
+      "       'SplittingTutorialDataset_0645', 'SplittingTutorialDataset_3020',\n",
+      "       'SplittingTutorialDataset_2599', 'SplittingTutorialDataset_2526',\n",
+      "       'SplittingTutorialDataset_1191', 'SplittingTutorialDataset_2993',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_4037', 'SplittingTutorialDataset_3482',\n",
+      "       'SplittingTutorialDataset_3292', 'SplittingTutorialDataset_3926',\n",
+      "       'SplittingTutorialDataset_0027', 'SplittingTutorialDataset_2801',\n",
+      "       'SplittingTutorialDataset_2602', 'SplittingTutorialDataset_2868',\n",
+      "       'SplittingTutorialDataset_0338', 'SplittingTutorialDataset_2759'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 9\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_1237', 'SplittingTutorialDataset_1909',\n",
+      "       'SplittingTutorialDataset_3058', 'SplittingTutorialDataset_1887',\n",
+      "       'SplittingTutorialDataset_0851', 'SplittingTutorialDataset_2101',\n",
+      "       'SplittingTutorialDataset_2886', 'SplittingTutorialDataset_1827',\n",
+      "       'SplittingTutorialDataset_3311', 'SplittingTutorialDataset_1277',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3150', 'SplittingTutorialDataset_0508',\n",
+      "       'SplittingTutorialDataset_0112', 'SplittingTutorialDataset_0547',\n",
+      "       'SplittingTutorialDataset_1685', 'SplittingTutorialDataset_1137',\n",
+      "       'SplittingTutorialDataset_1732', 'SplittingTutorialDataset_3520',\n",
+      "       'SplittingTutorialDataset_2552', 'SplittingTutorialDataset_0563'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n",
+      "Fold 10\n",
+      "Train: (2612, 2048)\n",
+      "Test: (653, 2048)\n",
+      "Train response: (2612, 1)\n",
+      "Test response: (653, 1)\n",
+      "Index(['SplittingTutorialDataset_0698', 'SplittingTutorialDataset_0665',\n",
+      "       'SplittingTutorialDataset_3255', 'SplittingTutorialDataset_0876',\n",
+      "       'SplittingTutorialDataset_0996', 'SplittingTutorialDataset_2033',\n",
+      "       'SplittingTutorialDataset_3540', 'SplittingTutorialDataset_4003',\n",
+      "       'SplittingTutorialDataset_3769', 'SplittingTutorialDataset_3365',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1080', 'SplittingTutorialDataset_1884',\n",
+      "       'SplittingTutorialDataset_1918', 'SplittingTutorialDataset_1339',\n",
+      "       'SplittingTutorialDataset_2482', 'SplittingTutorialDataset_2366',\n",
+      "       'SplittingTutorialDataset_3507', 'SplittingTutorialDataset_3651',\n",
+      "       'SplittingTutorialDataset_3249', 'SplittingTutorialDataset_0517'],\n",
+      "      dtype='object', name='QSPRID', length=653)\n",
+      "####################\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import StratifiedShuffleSplit\n",
+    "\n",
+    "\n",
+    "def print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index):\n",
+    "    print(f\"Fold {fold + 1}\")\n",
+    "    print(f\"Train: {X_train.shape}\")\n",
+    "    print(f\"Test: {X_test.shape}\")\n",
+    "    print(f\"Train response: {y_train.shape}\")\n",
+    "    print(f\"Test response: {y_test.shape}\")\n",
+    "    print(X_test.index)\n",
+    "    print(\"####################\")\n",
+    "\n",
+    "\n",
+    "split = StratifiedShuffleSplit(n_splits=10, test_size=0.2,\n",
+    "                               random_state=dataset.randomState)\n",
+    "for fold, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(\n",
+    "        dataset.iterFolds(split)):\n",
+    "    print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "a5c8ccea473aa573",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "Notice that we are now creating bootstrapping splits over the training data since our data set is already split from before. However, we can also enforce the split to be over the entire data set by setting the `concat` parameter of `iterFolds` to `True`:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "15d963ac3b47cb27",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.902909414Z",
+     "start_time": "2023-11-01T15:25:19.742622671Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Fold 1\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_1141', 'SplittingTutorialDataset_2680',\n",
+      "       'SplittingTutorialDataset_2238', 'SplittingTutorialDataset_2607',\n",
+      "       'SplittingTutorialDataset_4070', 'SplittingTutorialDataset_3630',\n",
+      "       'SplittingTutorialDataset_0759', 'SplittingTutorialDataset_0431',\n",
+      "       'SplittingTutorialDataset_3663', 'SplittingTutorialDataset_3301',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1057', 'SplittingTutorialDataset_3547',\n",
+      "       'SplittingTutorialDataset_0424', 'SplittingTutorialDataset_0026',\n",
+      "       'SplittingTutorialDataset_0476', 'SplittingTutorialDataset_3709',\n",
+      "       'SplittingTutorialDataset_1470', 'SplittingTutorialDataset_2314',\n",
+      "       'SplittingTutorialDataset_0242', 'SplittingTutorialDataset_2999'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 2\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_2603', 'SplittingTutorialDataset_2490',\n",
+      "       'SplittingTutorialDataset_2492', 'SplittingTutorialDataset_3909',\n",
+      "       'SplittingTutorialDataset_0545', 'SplittingTutorialDataset_1531',\n",
+      "       'SplittingTutorialDataset_2735', 'SplittingTutorialDataset_0048',\n",
+      "       'SplittingTutorialDataset_0507', 'SplittingTutorialDataset_1939',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3620', 'SplittingTutorialDataset_1889',\n",
+      "       'SplittingTutorialDataset_1310', 'SplittingTutorialDataset_1862',\n",
+      "       'SplittingTutorialDataset_1011', 'SplittingTutorialDataset_2661',\n",
+      "       'SplittingTutorialDataset_0593', 'SplittingTutorialDataset_0376',\n",
+      "       'SplittingTutorialDataset_3757', 'SplittingTutorialDataset_1817'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 3\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_1340', 'SplittingTutorialDataset_2305',\n",
+      "       'SplittingTutorialDataset_0228', 'SplittingTutorialDataset_0725',\n",
+      "       'SplittingTutorialDataset_2178', 'SplittingTutorialDataset_1980',\n",
+      "       'SplittingTutorialDataset_2584', 'SplittingTutorialDataset_3496',\n",
+      "       'SplittingTutorialDataset_1716', 'SplittingTutorialDataset_2247',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1146', 'SplittingTutorialDataset_0797',\n",
+      "       'SplittingTutorialDataset_3874', 'SplittingTutorialDataset_2185',\n",
+      "       'SplittingTutorialDataset_2507', 'SplittingTutorialDataset_1210',\n",
+      "       'SplittingTutorialDataset_2907', 'SplittingTutorialDataset_1002',\n",
+      "       'SplittingTutorialDataset_3893', 'SplittingTutorialDataset_0077'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 4\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_4051', 'SplittingTutorialDataset_3696',\n",
+      "       'SplittingTutorialDataset_1402', 'SplittingTutorialDataset_2805',\n",
+      "       'SplittingTutorialDataset_2764', 'SplittingTutorialDataset_2400',\n",
+      "       'SplittingTutorialDataset_0999', 'SplittingTutorialDataset_2618',\n",
+      "       'SplittingTutorialDataset_3715', 'SplittingTutorialDataset_3502',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0349', 'SplittingTutorialDataset_1203',\n",
+      "       'SplittingTutorialDataset_3860', 'SplittingTutorialDataset_2833',\n",
+      "       'SplittingTutorialDataset_1616', 'SplittingTutorialDataset_2621',\n",
+      "       'SplittingTutorialDataset_1968', 'SplittingTutorialDataset_0180',\n",
+      "       'SplittingTutorialDataset_1470', 'SplittingTutorialDataset_0939'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 5\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0885', 'SplittingTutorialDataset_0103',\n",
+      "       'SplittingTutorialDataset_0067', 'SplittingTutorialDataset_1722',\n",
+      "       'SplittingTutorialDataset_2090', 'SplittingTutorialDataset_4017',\n",
+      "       'SplittingTutorialDataset_2270', 'SplittingTutorialDataset_0310',\n",
+      "       'SplittingTutorialDataset_1783', 'SplittingTutorialDataset_2086',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0781', 'SplittingTutorialDataset_1993',\n",
+      "       'SplittingTutorialDataset_2067', 'SplittingTutorialDataset_3761',\n",
+      "       'SplittingTutorialDataset_3446', 'SplittingTutorialDataset_1160',\n",
+      "       'SplittingTutorialDataset_0142', 'SplittingTutorialDataset_0670',\n",
+      "       'SplittingTutorialDataset_1143', 'SplittingTutorialDataset_1239'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 6\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_1663', 'SplittingTutorialDataset_3728',\n",
+      "       'SplittingTutorialDataset_1455', 'SplittingTutorialDataset_2181',\n",
+      "       'SplittingTutorialDataset_0524', 'SplittingTutorialDataset_0897',\n",
+      "       'SplittingTutorialDataset_2462', 'SplittingTutorialDataset_3123',\n",
+      "       'SplittingTutorialDataset_0627', 'SplittingTutorialDataset_3262',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0204', 'SplittingTutorialDataset_3692',\n",
+      "       'SplittingTutorialDataset_1129', 'SplittingTutorialDataset_2998',\n",
+      "       'SplittingTutorialDataset_0646', 'SplittingTutorialDataset_0068',\n",
+      "       'SplittingTutorialDataset_2333', 'SplittingTutorialDataset_0236',\n",
+      "       'SplittingTutorialDataset_3561', 'SplittingTutorialDataset_2460'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 7\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_2390', 'SplittingTutorialDataset_2805',\n",
+      "       'SplittingTutorialDataset_3539', 'SplittingTutorialDataset_3470',\n",
+      "       'SplittingTutorialDataset_3644', 'SplittingTutorialDataset_1010',\n",
+      "       'SplittingTutorialDataset_0122', 'SplittingTutorialDataset_0924',\n",
+      "       'SplittingTutorialDataset_0562', 'SplittingTutorialDataset_1870',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3369', 'SplittingTutorialDataset_3640',\n",
+      "       'SplittingTutorialDataset_3408', 'SplittingTutorialDataset_3497',\n",
+      "       'SplittingTutorialDataset_0104', 'SplittingTutorialDataset_2446',\n",
+      "       'SplittingTutorialDataset_1497', 'SplittingTutorialDataset_0356',\n",
+      "       'SplittingTutorialDataset_0321', 'SplittingTutorialDataset_1213'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 8\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0523', 'SplittingTutorialDataset_1306',\n",
+      "       'SplittingTutorialDataset_1668', 'SplittingTutorialDataset_3929',\n",
+      "       'SplittingTutorialDataset_2205', 'SplittingTutorialDataset_1769',\n",
+      "       'SplittingTutorialDataset_1197', 'SplittingTutorialDataset_2344',\n",
+      "       'SplittingTutorialDataset_3006', 'SplittingTutorialDataset_3980',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1725', 'SplittingTutorialDataset_2714',\n",
+      "       'SplittingTutorialDataset_2993', 'SplittingTutorialDataset_3211',\n",
+      "       'SplittingTutorialDataset_2556', 'SplittingTutorialDataset_2306',\n",
+      "       'SplittingTutorialDataset_0286', 'SplittingTutorialDataset_3727',\n",
+      "       'SplittingTutorialDataset_3715', 'SplittingTutorialDataset_0320'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 9\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0203', 'SplittingTutorialDataset_1711',\n",
+      "       'SplittingTutorialDataset_1216', 'SplittingTutorialDataset_0618',\n",
+      "       'SplittingTutorialDataset_0647', 'SplittingTutorialDataset_2424',\n",
+      "       'SplittingTutorialDataset_1107', 'SplittingTutorialDataset_2095',\n",
+      "       'SplittingTutorialDataset_0706', 'SplittingTutorialDataset_0816',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1773', 'SplittingTutorialDataset_1704',\n",
+      "       'SplittingTutorialDataset_3723', 'SplittingTutorialDataset_3987',\n",
+      "       'SplittingTutorialDataset_1454', 'SplittingTutorialDataset_0644',\n",
+      "       'SplittingTutorialDataset_1510', 'SplittingTutorialDataset_2819',\n",
+      "       'SplittingTutorialDataset_0581', 'SplittingTutorialDataset_3796'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 10\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_3974', 'SplittingTutorialDataset_2827',\n",
+      "       'SplittingTutorialDataset_1978', 'SplittingTutorialDataset_0560',\n",
+      "       'SplittingTutorialDataset_4029', 'SplittingTutorialDataset_0259',\n",
+      "       'SplittingTutorialDataset_3894', 'SplittingTutorialDataset_3402',\n",
+      "       'SplittingTutorialDataset_0637', 'SplittingTutorialDataset_2667',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0846', 'SplittingTutorialDataset_0105',\n",
+      "       'SplittingTutorialDataset_1755', 'SplittingTutorialDataset_2768',\n",
+      "       'SplittingTutorialDataset_1411', 'SplittingTutorialDataset_3105',\n",
+      "       'SplittingTutorialDataset_1750', 'SplittingTutorialDataset_2648',\n",
+      "       'SplittingTutorialDataset_1881', 'SplittingTutorialDataset_1779'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import StratifiedShuffleSplit\n",
+    "\n",
+    "split = StratifiedShuffleSplit(n_splits=10, test_size=0.2,\n",
+    "                               random_state=dataset.randomState)\n",
+    "for fold, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(\n",
+    "        dataset.iterFolds(split, concat=True)):\n",
+    "    print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "f4ffa592aa665c75",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "The same procedure can also be used for traditional cross-validation:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "id": "d6718a2f82af5f2b",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:19.978742795Z",
+     "start_time": "2023-11-01T15:25:19.851846961Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Fold 1\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_2453', 'SplittingTutorialDataset_3382',\n",
+      "       'SplittingTutorialDataset_3509', 'SplittingTutorialDataset_2023',\n",
+      "       'SplittingTutorialDataset_3330', 'SplittingTutorialDataset_2534',\n",
+      "       'SplittingTutorialDataset_3053', 'SplittingTutorialDataset_3472',\n",
+      "       'SplittingTutorialDataset_0964', 'SplittingTutorialDataset_1621',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2343', 'SplittingTutorialDataset_1016',\n",
+      "       'SplittingTutorialDataset_0815', 'SplittingTutorialDataset_2317',\n",
+      "       'SplittingTutorialDataset_0775', 'SplittingTutorialDataset_1390',\n",
+      "       'SplittingTutorialDataset_3638', 'SplittingTutorialDataset_3385',\n",
+      "       'SplittingTutorialDataset_2433', 'SplittingTutorialDataset_0130'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 2\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_3644', 'SplittingTutorialDataset_3260',\n",
+      "       'SplittingTutorialDataset_3514', 'SplittingTutorialDataset_2996',\n",
+      "       'SplittingTutorialDataset_0442', 'SplittingTutorialDataset_3604',\n",
+      "       'SplittingTutorialDataset_3967', 'SplittingTutorialDataset_2650',\n",
+      "       'SplittingTutorialDataset_3473', 'SplittingTutorialDataset_3795',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3533', 'SplittingTutorialDataset_0034',\n",
+      "       'SplittingTutorialDataset_0646', 'SplittingTutorialDataset_3556',\n",
+      "       'SplittingTutorialDataset_2879', 'SplittingTutorialDataset_0189',\n",
+      "       'SplittingTutorialDataset_2747', 'SplittingTutorialDataset_2558',\n",
+      "       'SplittingTutorialDataset_3485', 'SplittingTutorialDataset_1515'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 3\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_1988', 'SplittingTutorialDataset_4027',\n",
+      "       'SplittingTutorialDataset_1171', 'SplittingTutorialDataset_2937',\n",
+      "       'SplittingTutorialDataset_1871', 'SplittingTutorialDataset_3787',\n",
+      "       'SplittingTutorialDataset_3892', 'SplittingTutorialDataset_1891',\n",
+      "       'SplittingTutorialDataset_0805', 'SplittingTutorialDataset_2764',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0600', 'SplittingTutorialDataset_2435',\n",
+      "       'SplittingTutorialDataset_3890', 'SplittingTutorialDataset_2734',\n",
+      "       'SplittingTutorialDataset_2904', 'SplittingTutorialDataset_1685',\n",
+      "       'SplittingTutorialDataset_3171', 'SplittingTutorialDataset_1638',\n",
+      "       'SplittingTutorialDataset_3772', 'SplittingTutorialDataset_1130'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 4\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_2820', 'SplittingTutorialDataset_0283',\n",
+      "       'SplittingTutorialDataset_0423', 'SplittingTutorialDataset_1340',\n",
+      "       'SplittingTutorialDataset_0000', 'SplittingTutorialDataset_0175',\n",
+      "       'SplittingTutorialDataset_2580', 'SplittingTutorialDataset_2402',\n",
+      "       'SplittingTutorialDataset_1929', 'SplittingTutorialDataset_0433',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0064', 'SplittingTutorialDataset_2767',\n",
+      "       'SplittingTutorialDataset_0995', 'SplittingTutorialDataset_0201',\n",
+      "       'SplittingTutorialDataset_1955', 'SplittingTutorialDataset_3152',\n",
+      "       'SplittingTutorialDataset_1478', 'SplittingTutorialDataset_3202',\n",
+      "       'SplittingTutorialDataset_0474', 'SplittingTutorialDataset_1095'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 5\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_2699', 'SplittingTutorialDataset_2876',\n",
+      "       'SplittingTutorialDataset_1672', 'SplittingTutorialDataset_1413',\n",
+      "       'SplittingTutorialDataset_2348', 'SplittingTutorialDataset_0218',\n",
+      "       'SplittingTutorialDataset_2494', 'SplittingTutorialDataset_3564',\n",
+      "       'SplittingTutorialDataset_0985', 'SplittingTutorialDataset_0247',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2888', 'SplittingTutorialDataset_2068',\n",
+      "       'SplittingTutorialDataset_1806', 'SplittingTutorialDataset_3547',\n",
+      "       'SplittingTutorialDataset_3632', 'SplittingTutorialDataset_0021',\n",
+      "       'SplittingTutorialDataset_2324', 'SplittingTutorialDataset_3735',\n",
+      "       'SplittingTutorialDataset_2135', 'SplittingTutorialDataset_1294'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 6\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_0436', 'SplittingTutorialDataset_3675',\n",
+      "       'SplittingTutorialDataset_1511', 'SplittingTutorialDataset_2297',\n",
+      "       'SplittingTutorialDataset_2889', 'SplittingTutorialDataset_1176',\n",
+      "       'SplittingTutorialDataset_1421', 'SplittingTutorialDataset_1188',\n",
+      "       'SplittingTutorialDataset_1572', 'SplittingTutorialDataset_3528',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2777', 'SplittingTutorialDataset_3843',\n",
+      "       'SplittingTutorialDataset_2824', 'SplittingTutorialDataset_1267',\n",
+      "       'SplittingTutorialDataset_3005', 'SplittingTutorialDataset_0955',\n",
+      "       'SplittingTutorialDataset_3444', 'SplittingTutorialDataset_1238',\n",
+      "       'SplittingTutorialDataset_0466', 'SplittingTutorialDataset_3174'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 7\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_0221', 'SplittingTutorialDataset_0088',\n",
+      "       'SplittingTutorialDataset_1187', 'SplittingTutorialDataset_4018',\n",
+      "       'SplittingTutorialDataset_0712', 'SplittingTutorialDataset_0274',\n",
+      "       'SplittingTutorialDataset_2321', 'SplittingTutorialDataset_0621',\n",
+      "       'SplittingTutorialDataset_0506', 'SplittingTutorialDataset_2583',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1021', 'SplittingTutorialDataset_2945',\n",
+      "       'SplittingTutorialDataset_0562', 'SplittingTutorialDataset_0975',\n",
+      "       'SplittingTutorialDataset_0747', 'SplittingTutorialDataset_1215',\n",
+      "       'SplittingTutorialDataset_2391', 'SplittingTutorialDataset_0769',\n",
+      "       'SplittingTutorialDataset_3380', 'SplittingTutorialDataset_2169'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 8\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_1650', 'SplittingTutorialDataset_3484',\n",
+      "       'SplittingTutorialDataset_1108', 'SplittingTutorialDataset_1461',\n",
+      "       'SplittingTutorialDataset_0557', 'SplittingTutorialDataset_2765',\n",
+      "       'SplittingTutorialDataset_1057', 'SplittingTutorialDataset_4061',\n",
+      "       'SplittingTutorialDataset_3745', 'SplittingTutorialDataset_2304',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2363', 'SplittingTutorialDataset_1297',\n",
+      "       'SplittingTutorialDataset_2214', 'SplittingTutorialDataset_2047',\n",
+      "       'SplittingTutorialDataset_3753', 'SplittingTutorialDataset_1082',\n",
+      "       'SplittingTutorialDataset_0459', 'SplittingTutorialDataset_2853',\n",
+      "       'SplittingTutorialDataset_3092', 'SplittingTutorialDataset_0860'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 9\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_1315', 'SplittingTutorialDataset_1017',\n",
+      "       'SplittingTutorialDataset_2517', 'SplittingTutorialDataset_1044',\n",
+      "       'SplittingTutorialDataset_0976', 'SplittingTutorialDataset_2812',\n",
+      "       'SplittingTutorialDataset_0500', 'SplittingTutorialDataset_0549',\n",
+      "       'SplittingTutorialDataset_3501', 'SplittingTutorialDataset_2042',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3003', 'SplittingTutorialDataset_2139',\n",
+      "       'SplittingTutorialDataset_2612', 'SplittingTutorialDataset_0241',\n",
+      "       'SplittingTutorialDataset_1899', 'SplittingTutorialDataset_2300',\n",
+      "       'SplittingTutorialDataset_1184', 'SplittingTutorialDataset_2919',\n",
+      "       'SplittingTutorialDataset_1482', 'SplittingTutorialDataset_0330'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 10\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_2459', 'SplittingTutorialDataset_1744',\n",
+      "       'SplittingTutorialDataset_0736', 'SplittingTutorialDataset_0209',\n",
+      "       'SplittingTutorialDataset_3830', 'SplittingTutorialDataset_3454',\n",
+      "       'SplittingTutorialDataset_1940', 'SplittingTutorialDataset_3859',\n",
+      "       'SplittingTutorialDataset_3922', 'SplittingTutorialDataset_1813',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0379', 'SplittingTutorialDataset_0763',\n",
+      "       'SplittingTutorialDataset_0161', 'SplittingTutorialDataset_0702',\n",
+      "       'SplittingTutorialDataset_3459', 'SplittingTutorialDataset_1585',\n",
+      "       'SplittingTutorialDataset_2556', 'SplittingTutorialDataset_1528',\n",
+      "       'SplittingTutorialDataset_4032', 'SplittingTutorialDataset_3507'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import StratifiedKFold\n",
+    "\n",
+    "split = StratifiedKFold(n_splits=10, shuffle=True, random_state=dataset.randomState)\n",
+    "for fold, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(\n",
+    "        dataset.iterFolds(split)):\n",
+    "    print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "88ec577d604edb58",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "And naturally we can also use the built-in `DataSplit` implementations. For example, in the following example we use the `ScaffoldSplit` to generate cross-validation splits based on the scaffold of the molecules:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "8d1e26385aff1098",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:46.327182410Z",
+     "start_time": "2023-11-01T15:25:19.936027936Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Fold 1\n",
+      "Train: (2942, 2048)\n",
+      "Test: (323, 2048)\n",
+      "Train response: (2942, 1)\n",
+      "Test response: (323, 1)\n",
+      "Index(['SplittingTutorialDataset_0221', 'SplittingTutorialDataset_0088',\n",
+      "       'SplittingTutorialDataset_2876', 'SplittingTutorialDataset_3330',\n",
+      "       'SplittingTutorialDataset_0283', 'SplittingTutorialDataset_2297',\n",
+      "       'SplittingTutorialDataset_1871', 'SplittingTutorialDataset_1891',\n",
+      "       'SplittingTutorialDataset_1940', 'SplittingTutorialDataset_2650',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2454', 'SplittingTutorialDataset_1495',\n",
+      "       'SplittingTutorialDataset_3796', 'SplittingTutorialDataset_3342',\n",
+      "       'SplittingTutorialDataset_2449', 'SplittingTutorialDataset_1500',\n",
+      "       'SplittingTutorialDataset_1685', 'SplittingTutorialDataset_1130',\n",
+      "       'SplittingTutorialDataset_1294', 'SplittingTutorialDataset_0860'],\n",
+      "      dtype='object', name='QSPRID', length=323)\n",
+      "####################\n",
+      "Fold 2\n",
+      "Train: (2941, 2048)\n",
+      "Test: (324, 2048)\n",
+      "Train response: (2941, 1)\n",
+      "Test response: (324, 1)\n",
+      "Index(['SplittingTutorialDataset_3644', 'SplittingTutorialDataset_4018',\n",
+      "       'SplittingTutorialDataset_2453', 'SplittingTutorialDataset_2517',\n",
+      "       'SplittingTutorialDataset_1988', 'SplittingTutorialDataset_3484',\n",
+      "       'SplittingTutorialDataset_0274', 'SplittingTutorialDataset_1672',\n",
+      "       'SplittingTutorialDataset_2534', 'SplittingTutorialDataset_0549',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0161', 'SplittingTutorialDataset_3499',\n",
+      "       'SplittingTutorialDataset_1390', 'SplittingTutorialDataset_1363',\n",
+      "       'SplittingTutorialDataset_2824', 'SplittingTutorialDataset_2214',\n",
+      "       'SplittingTutorialDataset_3890', 'SplittingTutorialDataset_3638',\n",
+      "       'SplittingTutorialDataset_1806', 'SplittingTutorialDataset_2853'],\n",
+      "      dtype='object', name='QSPRID', length=324)\n",
+      "####################\n",
+      "Fold 3\n",
+      "Train: (2936, 2048)\n",
+      "Test: (329, 2048)\n",
+      "Train response: (2936, 1)\n",
+      "Test response: (329, 1)\n",
+      "Index(['SplittingTutorialDataset_2459', 'SplittingTutorialDataset_1315',\n",
+      "       'SplittingTutorialDataset_2996', 'SplittingTutorialDataset_2348',\n",
+      "       'SplittingTutorialDataset_2583', 'SplittingTutorialDataset_4027',\n",
+      "       'SplittingTutorialDataset_3472', 'SplittingTutorialDataset_3604',\n",
+      "       'SplittingTutorialDataset_3892', 'SplittingTutorialDataset_2889',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3459', 'SplittingTutorialDataset_0600',\n",
+      "       'SplittingTutorialDataset_2435', 'SplittingTutorialDataset_3753',\n",
+      "       'SplittingTutorialDataset_2558', 'SplittingTutorialDataset_1215',\n",
+      "       'SplittingTutorialDataset_1515', 'SplittingTutorialDataset_3380',\n",
+      "       'SplittingTutorialDataset_1482', 'SplittingTutorialDataset_0466'],\n",
+      "      dtype='object', name='QSPRID', length=329)\n",
+      "####################\n",
+      "Fold 4\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_1017', 'SplittingTutorialDataset_2699',\n",
+      "       'SplittingTutorialDataset_1044', 'SplittingTutorialDataset_1650',\n",
+      "       'SplittingTutorialDataset_1108', 'SplittingTutorialDataset_0423',\n",
+      "       'SplittingTutorialDataset_2937', 'SplittingTutorialDataset_2765',\n",
+      "       'SplittingTutorialDataset_2494', 'SplittingTutorialDataset_0805',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2363', 'SplittingTutorialDataset_2068',\n",
+      "       'SplittingTutorialDataset_0646', 'SplittingTutorialDataset_3005',\n",
+      "       'SplittingTutorialDataset_2047', 'SplittingTutorialDataset_3385',\n",
+      "       'SplittingTutorialDataset_0130', 'SplittingTutorialDataset_0330',\n",
+      "       'SplittingTutorialDataset_3507', 'SplittingTutorialDataset_3174'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 5\n",
+      "Train: (2938, 2048)\n",
+      "Test: (327, 2048)\n",
+      "Train response: (2938, 1)\n",
+      "Test response: (327, 1)\n",
+      "Index(['SplittingTutorialDataset_1187', 'SplittingTutorialDataset_2023',\n",
+      "       'SplittingTutorialDataset_3514', 'SplittingTutorialDataset_0712',\n",
+      "       'SplittingTutorialDataset_0976', 'SplittingTutorialDataset_1171',\n",
+      "       'SplittingTutorialDataset_0442', 'SplittingTutorialDataset_1501',\n",
+      "       'SplittingTutorialDataset_3967', 'SplittingTutorialDataset_1188',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0201', 'SplittingTutorialDataset_3843',\n",
+      "       'SplittingTutorialDataset_3152', 'SplittingTutorialDataset_2556',\n",
+      "       'SplittingTutorialDataset_2061', 'SplittingTutorialDataset_3556',\n",
+      "       'SplittingTutorialDataset_2747', 'SplittingTutorialDataset_0955',\n",
+      "       'SplittingTutorialDataset_3735', 'SplittingTutorialDataset_1095'],\n",
+      "      dtype='object', name='QSPRID', length=327)\n",
+      "####################\n",
+      "Fold 6\n",
+      "Train: (2937, 2048)\n",
+      "Test: (328, 2048)\n",
+      "Train response: (2937, 1)\n",
+      "Test response: (328, 1)\n",
+      "Index(['SplittingTutorialDataset_1744', 'SplittingTutorialDataset_3382',\n",
+      "       'SplittingTutorialDataset_3509', 'SplittingTutorialDataset_3675',\n",
+      "       'SplittingTutorialDataset_2820', 'SplittingTutorialDataset_1461',\n",
+      "       'SplittingTutorialDataset_1511', 'SplittingTutorialDataset_3053',\n",
+      "       'SplittingTutorialDataset_0602', 'SplittingTutorialDataset_2748',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1129', 'SplittingTutorialDataset_3461',\n",
+      "       'SplittingTutorialDataset_3073', 'SplittingTutorialDataset_1528',\n",
+      "       'SplittingTutorialDataset_4032', 'SplittingTutorialDataset_2734',\n",
+      "       'SplittingTutorialDataset_2300', 'SplittingTutorialDataset_0021',\n",
+      "       'SplittingTutorialDataset_0459', 'SplittingTutorialDataset_1184'],\n",
+      "      dtype='object', name='QSPRID', length=328)\n",
+      "####################\n",
+      "Fold 7\n",
+      "Train: (2935, 2048)\n",
+      "Test: (330, 2048)\n",
+      "Train response: (2935, 1)\n",
+      "Test response: (330, 1)\n",
+      "Index(['SplittingTutorialDataset_3260', 'SplittingTutorialDataset_2321',\n",
+      "       'SplittingTutorialDataset_3501', 'SplittingTutorialDataset_3454',\n",
+      "       'SplittingTutorialDataset_1621', 'SplittingTutorialDataset_2764',\n",
+      "       'SplittingTutorialDataset_1877', 'SplittingTutorialDataset_1057',\n",
+      "       'SplittingTutorialDataset_1572', 'SplittingTutorialDataset_2873',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3417', 'SplittingTutorialDataset_0241',\n",
+      "       'SplittingTutorialDataset_0189', 'SplittingTutorialDataset_3547',\n",
+      "       'SplittingTutorialDataset_2904', 'SplittingTutorialDataset_0747',\n",
+      "       'SplittingTutorialDataset_2433', 'SplittingTutorialDataset_2391',\n",
+      "       'SplittingTutorialDataset_2919', 'SplittingTutorialDataset_3444'],\n",
+      "      dtype='object', name='QSPRID', length=330)\n",
+      "####################\n",
+      "Fold 8\n",
+      "Train: (2939, 2048)\n",
+      "Test: (326, 2048)\n",
+      "Train response: (2939, 1)\n",
+      "Test response: (326, 1)\n",
+      "Index(['SplittingTutorialDataset_0436', 'SplittingTutorialDataset_2812',\n",
+      "       'SplittingTutorialDataset_0506', 'SplittingTutorialDataset_0500',\n",
+      "       'SplittingTutorialDataset_0578', 'SplittingTutorialDataset_0985',\n",
+      "       'SplittingTutorialDataset_2045', 'SplittingTutorialDataset_3528',\n",
+      "       'SplittingTutorialDataset_1448', 'SplittingTutorialDataset_0691',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3934', 'SplittingTutorialDataset_2253',\n",
+      "       'SplittingTutorialDataset_3202', 'SplittingTutorialDataset_0562',\n",
+      "       'SplittingTutorialDataset_3632', 'SplittingTutorialDataset_2324',\n",
+      "       'SplittingTutorialDataset_3171', 'SplittingTutorialDataset_2135',\n",
+      "       'SplittingTutorialDataset_2169', 'SplittingTutorialDataset_3772'],\n",
+      "      dtype='object', name='QSPRID', length=326)\n",
+      "####################\n",
+      "Fold 9\n",
+      "Train: (2937, 2048)\n",
+      "Test: (328, 2048)\n",
+      "Train response: (2937, 1)\n",
+      "Test response: (328, 1)\n",
+      "Index(['SplittingTutorialDataset_0621', 'SplittingTutorialDataset_3787',\n",
+      "       'SplittingTutorialDataset_0218', 'SplittingTutorialDataset_3859',\n",
+      "       'SplittingTutorialDataset_1421', 'SplittingTutorialDataset_1813',\n",
+      "       'SplittingTutorialDataset_1582', 'SplittingTutorialDataset_0650',\n",
+      "       'SplittingTutorialDataset_1752', 'SplittingTutorialDataset_1361',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2612', 'SplittingTutorialDataset_2888',\n",
+      "       'SplittingTutorialDataset_1267', 'SplittingTutorialDataset_1899',\n",
+      "       'SplittingTutorialDataset_0975', 'SplittingTutorialDataset_0474',\n",
+      "       'SplittingTutorialDataset_0769', 'SplittingTutorialDataset_1238',\n",
+      "       'SplittingTutorialDataset_1638', 'SplittingTutorialDataset_3092'],\n",
+      "      dtype='object', name='QSPRID', length=328)\n",
+      "####################\n",
+      "Fold 10\n",
+      "Train: (2941, 2048)\n",
+      "Test: (324, 2048)\n",
+      "Train response: (2941, 1)\n",
+      "Test response: (324, 1)\n",
+      "Index(['SplittingTutorialDataset_1413', 'SplittingTutorialDataset_1340',\n",
+      "       'SplittingTutorialDataset_0839', 'SplittingTutorialDataset_0557',\n",
+      "       'SplittingTutorialDataset_0964', 'SplittingTutorialDataset_0736',\n",
+      "       'SplittingTutorialDataset_3830', 'SplittingTutorialDataset_1231',\n",
+      "       'SplittingTutorialDataset_2381', 'SplittingTutorialDataset_2955',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2777', 'SplittingTutorialDataset_3893',\n",
+      "       'SplittingTutorialDataset_1955', 'SplittingTutorialDataset_1478',\n",
+      "       'SplittingTutorialDataset_3003', 'SplittingTutorialDataset_2041',\n",
+      "       'SplittingTutorialDataset_1297', 'SplittingTutorialDataset_2879',\n",
+      "       'SplittingTutorialDataset_1082', 'SplittingTutorialDataset_3485'],\n",
+      "      dtype='object', name='QSPRID', length=324)\n",
+      "####################\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data.chem.scaffolds import Murcko\n",
+    "from qsprpred.data import ScaffoldSplit\n",
+    "\n",
+    "split = ScaffoldSplit(n_folds=10, scaffold=Murcko())\n",
+    "for fold, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(\n",
+    "        dataset.iterFolds(split)):\n",
+    "    print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "12650e481ee6dabd",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "We can also use the `BootstrapSplit` to automatically make bootstrapping splits from splitters that do not support the `n_splits` or `n_folds` parameters:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "id": "25da1aff53ce4d06",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:25:46.396284575Z",
+     "start_time": "2023-11-01T15:25:46.316083417Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Fold 1\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0599', 'SplittingTutorialDataset_0752',\n",
+      "       'SplittingTutorialDataset_1954', 'SplittingTutorialDataset_2928',\n",
+      "       'SplittingTutorialDataset_2512', 'SplittingTutorialDataset_2289',\n",
+      "       'SplittingTutorialDataset_0682', 'SplittingTutorialDataset_0325',\n",
+      "       'SplittingTutorialDataset_0166', 'SplittingTutorialDataset_3389',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2750', 'SplittingTutorialDataset_1233',\n",
+      "       'SplittingTutorialDataset_2915', 'SplittingTutorialDataset_1916',\n",
+      "       'SplittingTutorialDataset_2411', 'SplittingTutorialDataset_2619',\n",
+      "       'SplittingTutorialDataset_1419', 'SplittingTutorialDataset_0067',\n",
+      "       'SplittingTutorialDataset_1844', 'SplittingTutorialDataset_0937'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 2\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_2188', 'SplittingTutorialDataset_3321',\n",
+      "       'SplittingTutorialDataset_0323', 'SplittingTutorialDataset_4059',\n",
+      "       'SplittingTutorialDataset_1234', 'SplittingTutorialDataset_0247',\n",
+      "       'SplittingTutorialDataset_1674', 'SplittingTutorialDataset_0294',\n",
+      "       'SplittingTutorialDataset_2653', 'SplittingTutorialDataset_2231',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0606', 'SplittingTutorialDataset_0179',\n",
+      "       'SplittingTutorialDataset_1389', 'SplittingTutorialDataset_2876',\n",
+      "       'SplittingTutorialDataset_2182', 'SplittingTutorialDataset_0007',\n",
+      "       'SplittingTutorialDataset_3702', 'SplittingTutorialDataset_3622',\n",
+      "       'SplittingTutorialDataset_2860', 'SplittingTutorialDataset_2331'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 3\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0819', 'SplittingTutorialDataset_3043',\n",
+      "       'SplittingTutorialDataset_2693', 'SplittingTutorialDataset_1634',\n",
+      "       'SplittingTutorialDataset_3969', 'SplittingTutorialDataset_1730',\n",
+      "       'SplittingTutorialDataset_2854', 'SplittingTutorialDataset_0229',\n",
+      "       'SplittingTutorialDataset_1293', 'SplittingTutorialDataset_1407',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1052', 'SplittingTutorialDataset_4015',\n",
+      "       'SplittingTutorialDataset_2329', 'SplittingTutorialDataset_3503',\n",
+      "       'SplittingTutorialDataset_2358', 'SplittingTutorialDataset_1508',\n",
+      "       'SplittingTutorialDataset_0884', 'SplittingTutorialDataset_2735',\n",
+      "       'SplittingTutorialDataset_0866', 'SplittingTutorialDataset_3278'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 4\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0030', 'SplittingTutorialDataset_0555',\n",
+      "       'SplittingTutorialDataset_3266', 'SplittingTutorialDataset_2593',\n",
+      "       'SplittingTutorialDataset_1583', 'SplittingTutorialDataset_2218',\n",
+      "       'SplittingTutorialDataset_1542', 'SplittingTutorialDataset_3086',\n",
+      "       'SplittingTutorialDataset_3094', 'SplittingTutorialDataset_1538',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_3385', 'SplittingTutorialDataset_1322',\n",
+      "       'SplittingTutorialDataset_1336', 'SplittingTutorialDataset_1090',\n",
+      "       'SplittingTutorialDataset_2548', 'SplittingTutorialDataset_0450',\n",
+      "       'SplittingTutorialDataset_2770', 'SplittingTutorialDataset_3444',\n",
+      "       'SplittingTutorialDataset_2785', 'SplittingTutorialDataset_0058'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 5\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_2685', 'SplittingTutorialDataset_2240',\n",
+      "       'SplittingTutorialDataset_1588', 'SplittingTutorialDataset_3944',\n",
+      "       'SplittingTutorialDataset_3877', 'SplittingTutorialDataset_1408',\n",
+      "       'SplittingTutorialDataset_0709', 'SplittingTutorialDataset_2028',\n",
+      "       'SplittingTutorialDataset_1908', 'SplittingTutorialDataset_0647',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2709', 'SplittingTutorialDataset_3346',\n",
+      "       'SplittingTutorialDataset_2094', 'SplittingTutorialDataset_2169',\n",
+      "       'SplittingTutorialDataset_3744', 'SplittingTutorialDataset_3095',\n",
+      "       'SplittingTutorialDataset_3412', 'SplittingTutorialDataset_1740',\n",
+      "       'SplittingTutorialDataset_2666', 'SplittingTutorialDataset_3032'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 6\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_3047', 'SplittingTutorialDataset_1462',\n",
+      "       'SplittingTutorialDataset_1222', 'SplittingTutorialDataset_2994',\n",
+      "       'SplittingTutorialDataset_3309', 'SplittingTutorialDataset_3137',\n",
+      "       'SplittingTutorialDataset_1208', 'SplittingTutorialDataset_2488',\n",
+      "       'SplittingTutorialDataset_0015', 'SplittingTutorialDataset_3776',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_2230', 'SplittingTutorialDataset_3620',\n",
+      "       'SplittingTutorialDataset_0661', 'SplittingTutorialDataset_0125',\n",
+      "       'SplittingTutorialDataset_2987', 'SplittingTutorialDataset_1323',\n",
+      "       'SplittingTutorialDataset_2341', 'SplittingTutorialDataset_0954',\n",
+      "       'SplittingTutorialDataset_0202', 'SplittingTutorialDataset_0155'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 7\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_0606', 'SplittingTutorialDataset_1223',\n",
+      "       'SplittingTutorialDataset_1563', 'SplittingTutorialDataset_3878',\n",
+      "       'SplittingTutorialDataset_3567', 'SplittingTutorialDataset_3010',\n",
+      "       'SplittingTutorialDataset_0213', 'SplittingTutorialDataset_1483',\n",
+      "       'SplittingTutorialDataset_0944', 'SplittingTutorialDataset_2261',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0507', 'SplittingTutorialDataset_3561',\n",
+      "       'SplittingTutorialDataset_0527', 'SplittingTutorialDataset_1515',\n",
+      "       'SplittingTutorialDataset_0725', 'SplittingTutorialDataset_4054',\n",
+      "       'SplittingTutorialDataset_3665', 'SplittingTutorialDataset_1878',\n",
+      "       'SplittingTutorialDataset_1333', 'SplittingTutorialDataset_1904'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 8\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_1422', 'SplittingTutorialDataset_0134',\n",
+      "       'SplittingTutorialDataset_1675', 'SplittingTutorialDataset_2240',\n",
+      "       'SplittingTutorialDataset_1379', 'SplittingTutorialDataset_1053',\n",
+      "       'SplittingTutorialDataset_0993', 'SplittingTutorialDataset_3406',\n",
+      "       'SplittingTutorialDataset_3056', 'SplittingTutorialDataset_3145',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0940', 'SplittingTutorialDataset_0965',\n",
+      "       'SplittingTutorialDataset_2911', 'SplittingTutorialDataset_3558',\n",
+      "       'SplittingTutorialDataset_1152', 'SplittingTutorialDataset_1789',\n",
+      "       'SplittingTutorialDataset_3435', 'SplittingTutorialDataset_1836',\n",
+      "       'SplittingTutorialDataset_0002', 'SplittingTutorialDataset_3659'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 9\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_3354', 'SplittingTutorialDataset_1424',\n",
+      "       'SplittingTutorialDataset_3692', 'SplittingTutorialDataset_2063',\n",
+      "       'SplittingTutorialDataset_1192', 'SplittingTutorialDataset_2918',\n",
+      "       'SplittingTutorialDataset_3659', 'SplittingTutorialDataset_3278',\n",
+      "       'SplittingTutorialDataset_0696', 'SplittingTutorialDataset_3307',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0765', 'SplittingTutorialDataset_3127',\n",
+      "       'SplittingTutorialDataset_1438', 'SplittingTutorialDataset_1702',\n",
+      "       'SplittingTutorialDataset_2394', 'SplittingTutorialDataset_2037',\n",
+      "       'SplittingTutorialDataset_3383', 'SplittingTutorialDataset_0669',\n",
+      "       'SplittingTutorialDataset_1123', 'SplittingTutorialDataset_0700'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n",
+      "Fold 10\n",
+      "Train: (3265, 2048)\n",
+      "Test: (817, 2048)\n",
+      "Train response: (3265, 1)\n",
+      "Test response: (817, 1)\n",
+      "Index(['SplittingTutorialDataset_3353', 'SplittingTutorialDataset_3434',\n",
+      "       'SplittingTutorialDataset_4048', 'SplittingTutorialDataset_3648',\n",
+      "       'SplittingTutorialDataset_1157', 'SplittingTutorialDataset_2075',\n",
+      "       'SplittingTutorialDataset_1475', 'SplittingTutorialDataset_3050',\n",
+      "       'SplittingTutorialDataset_3981', 'SplittingTutorialDataset_3954',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_0193', 'SplittingTutorialDataset_1925',\n",
+      "       'SplittingTutorialDataset_2685', 'SplittingTutorialDataset_3387',\n",
+      "       'SplittingTutorialDataset_2968', 'SplittingTutorialDataset_0220',\n",
+      "       'SplittingTutorialDataset_0506', 'SplittingTutorialDataset_3465',\n",
+      "       'SplittingTutorialDataset_1071', 'SplittingTutorialDataset_0611'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "####################\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data import BootstrapSplit\n",
+    "\n",
+    "split = BootstrapSplit(split=RandomSplit(0.2), n_bootstraps=10)\n",
+    "for fold, (X_train, X_test, y_train, y_test, train_index, test_index) in enumerate(\n",
+    "        dataset.iterFolds(split, concat=True)):\n",
+    "    print_cv_split(fold, X_train, X_test, y_train, y_test, train_index, test_index)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41a6c4dc95db377e",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "## Using Customized Splits in Hyperparameter Optimization and Model Assessment\n",
+    "\n",
+    "We can also directly supply these splitters to the `HyperparameterOptimizer` and `ModelAssessor` classes to perform hyperparameter optimization and model assessment. To learn more about hyperparameter optimization and model assessment, please refer to the [hyperparameter optimization](../../advanced/modelling/hyperparameter_optimization.ipynb) and [model assessment](https://cddleiden.github.io/QSPRpred/tutorials/model_assessment.html) tutorials."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "id": "d4eddc8d5acc1742",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:26:04.183213333Z",
+     "start_time": "2023-11-01T15:25:46.392480580Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "[I 2024-02-06 15:05:54,288] A new study created in memory with name: no-name-172bfa8a-787b-4d57-8703-53e160382162\n",
+      "[I 2024-02-06 15:05:57,063] Trial 0 finished with value: 0.8980087387942112 and parameters: {'n_estimators': 44}. Best is trial 0 with value: 0.8980087387942112.\n",
+      "[I 2024-02-06 15:06:03,080] Trial 1 finished with value: 0.8999885037138509 and parameters: {'n_estimators': 96}. Best is trial 1 with value: 0.8999885037138509.\n",
+      "[I 2024-02-06 15:06:07,729] Trial 2 finished with value: 0.9014254870758489 and parameters: {'n_estimators': 76}. Best is trial 2 with value: 0.9014254870758489.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "{'n_estimators': 76}"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.ensemble import ExtraTreesClassifier\n",
+    "from qsprpred.models import OptunaOptimization\n",
+    "from qsprpred.models import CrossValAssessor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models/\",\n",
+    "    alg=ExtraTreesClassifier,\n",
+    "    name=\"SplittingTutorialModel\",\n",
+    "    random_state=dataset.randomState\n",
+    ")\n",
+    "search_space_bs = {\"n_estimators\": [\"int\", 10, 100, 250]}\n",
+    "optimizer = OptunaOptimization(\n",
+    "    param_grid=search_space_bs,\n",
+    "    n_trials=3,  # for demonstration purposes we only use three trials\n",
+    "    model_assessor=CrossValAssessor(\n",
+    "        scoring=\"roc_auc\",\n",
+    "        split=BootstrapSplit(split=RandomSplit(0.2), n_bootstraps=5)\n",
+    "    )\n",
+    ")\n",
+    "optimizer.optimize(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 21,
+   "id": "7b3d62d2823cb01a",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:26:22.036204198Z",
+     "start_time": "2023-11-01T15:26:04.187598948Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.89204467, 0.89182185, 0.90166254, 0.91214718, 0.9094512 ,\n",
+       "       0.88226919, 0.89837523, 0.8751793 , 0.86626687, 0.87910458])"
+      ]
+     },
+     "execution_count": 21,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# run bootstrapping ten times with the optimized model\n",
+    "CrossValAssessor(\n",
+    "    scoring=\"roc_auc\",\n",
+    "    split=BootstrapSplit(split=RandomSplit(0.2), n_bootstraps=10)\n",
+    ")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "id": "4fb7d72ace3cfce8",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:26:24.050019967Z",
+     "start_time": "2023-11-01T15:26:22.036006291Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.87887524])"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# evaluate on the test set as well\n",
+    "from qsprpred.models import TestSetAssessor\n",
+    "\n",
+    "TestSetAssessor(scoring=\"roc_auc\")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 17,
+   "id": "fe35c1dd620adadc",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 18,
+   "id": "ac6e3dbb9c4f8ebf",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:26:25.153701337Z",
+     "start_time": "2023-11-01T15:26:24.056334869Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 18,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "# plot the results for bootstrapping\n",
+    "from qsprpred.plotting.classification import ROCPlot\n",
+    "\n",
+    "plot = ROCPlot([model])\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"cv\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 19,
+   "id": "69ff88f56dca7313",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:26:25.352419892Z",
+     "start_time": "2023-11-01T15:26:25.170068778Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 19,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "# plot test set results\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"ind\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "185f9cb353284aa",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "We can now also easily run a different analysis if desired. This time we use the `ScaffoldSplit` to perform cross-validation:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 20,
+   "id": "c692af429a4a8706",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:27:11.649390010Z",
+     "start_time": "2023-11-01T15:26:25.353462017Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.87648054, 0.81278392, 0.88967081, 0.90823413, 0.88266998,\n",
+       "       0.85626983, 0.85669679, 0.89389863, 0.8938379 , 0.75603255])"
+      ]
+     },
+     "execution_count": 20,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "CrossValAssessor(\n",
+    "    scoring=\"roc_auc\",\n",
+    "    split=ScaffoldSplit(n_folds=10, scaffold=Murcko())\n",
+    ")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 22,
+   "id": "b1ec96ba9e45b21",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:27:11.960177327Z",
+     "start_time": "2023-11-01T15:27:11.649274094Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 22,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"cv\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5523ffeaf79bb043",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "Evaluating different time splits can also be convenient sometimes:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 23,
+   "id": "eec4d9be29b8dcea",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:27:11.964564099Z",
+     "start_time": "2023-11-01T15:27:11.961860886Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "<Axes: >"
+      ]
+     },
+     "execution_count": 23,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "dataset.getProperty(\"Year\").hist(bins=15)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 24,
+   "id": "9f504309d2897c37",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:27:15.712805716Z",
+     "start_time": "2023-11-01T15:27:11.967500521Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.66177235, 0.72243217, 0.94897959])"
+      ]
+     },
+     "execution_count": 24,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import TemporalSplit\n",
+    "\n",
+    "CrossValAssessor(\n",
+    "    scoring=\"roc_auc\",\n",
+    "    split=TemporalSplit(timesplit=[2000, 2010, 2020], timeprop=\"Year\")\n",
+    ")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 25,
+   "id": "66a772e4e6a2430b",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-11-01T15:27:15.993475786Z",
+     "start_time": "2023-11-01T15:27:15.725340802Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 25,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"cv\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "dc75cd78143236a2",
+   "metadata": {},
+   "source": [
+    "These splits are not saved to the dataset, but the assessments and optimizations can be reproduced by setting the random state to the same value. You can also explicitly save the splits to by adding a monitor to the `ModelAssessor` or `HyperparameterOptimizer`, see the [monitoring tutorial](../../advanced/modelling/monitoring.ipynb) for more information."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "310089c9617c7492",
+   "metadata": {},
+   "source": [
+    "## Trying multiple splits with the same dataset\n",
+    "\n",
+    "If you want to train your model on multiple splits of the same dataset, you can prepare the dataset once until the point of splitting. Then you can save the dataset and re-load it to split differently. This way you can save time on preparing the dataset multiple times. The datasplit will be overwritten if you run `split` again.\n",
+    "The dataset also has a reset method to reset the dataset to the state before the preparation steps were applied. Therefore, you can also use the `reset` method to reset the dataset to the state before splitting and then split again.\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 26,
+   "id": "c12537dfcf25393a",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "(4082, 2048)\n",
+      "(0, 2048)\n",
+      "Index([], dtype='object', name='QSPRID')\n",
+      "(3265, 2048)\n",
+      "(817, 2048)\n",
+      "Index(['SplittingTutorialDataset_1141', 'SplittingTutorialDataset_2680',\n",
+      "       'SplittingTutorialDataset_2238', 'SplittingTutorialDataset_2607',\n",
+      "       'SplittingTutorialDataset_4070', 'SplittingTutorialDataset_3630',\n",
+      "       'SplittingTutorialDataset_0759', 'SplittingTutorialDataset_0431',\n",
+      "       'SplittingTutorialDataset_3663', 'SplittingTutorialDataset_3301',\n",
+      "       ...\n",
+      "       'SplittingTutorialDataset_1057', 'SplittingTutorialDataset_3547',\n",
+      "       'SplittingTutorialDataset_0424', 'SplittingTutorialDataset_0026',\n",
+      "       'SplittingTutorialDataset_0476', 'SplittingTutorialDataset_3709',\n",
+      "       'SplittingTutorialDataset_1470', 'SplittingTutorialDataset_2314',\n",
+      "       'SplittingTutorialDataset_0242', 'SplittingTutorialDataset_2999'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "(4082, 2048)\n",
+      "(0, 2048)\n",
+      "Index([], dtype='object', name='QSPRID')\n"
+     ]
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import StratifiedShuffleSplit\n",
+    "\n",
+    "# check split is empty\n",
+    "dataset.reset()\n",
+    "print_split(dataset)\n",
+    "\n",
+    "# split the dataset and print the split\n",
+    "split = StratifiedShuffleSplit(n_splits=1, test_size=0.2,\n",
+    "                               random_state=dataset.randomState)\n",
+    "dataset.split(split)\n",
+    "print_split(dataset)\n",
+    "\n",
+    "# reset the dataset and print the split again, it should be empty\n",
+    "dataset.reset()\n",
+    "print_split(dataset)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/basics/data/descriptors.ipynb b/tutorials/basics/data/descriptors.ipynb
new file mode 100644
index 00000000..f8145fdc
--- /dev/null
+++ b/tutorials/basics/data/descriptors.ipynb
@@ -0,0 +1,1951 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Descriptor calculation\n",
+    "This tutorial provides an overview of the descriptors that can be calculated with QSPRpred.\n",
+    "\n",
+    "First, we will import the necessary modules and load the dataset that we will use for this tutorial."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_0000</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_0001</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_0002</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_0003</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_0004</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_4077</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_4078</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_4079</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_4080</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>DescriptorsTutorialDataset_4081</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 4 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                            SMILES  \\\n",
+       "QSPRID                                                                               \n",
+       "DescriptorsTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "DescriptorsTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "DescriptorsTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "DescriptorsTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "DescriptorsTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                            ...   \n",
+       "DescriptorsTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "DescriptorsTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "DescriptorsTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "DescriptorsTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "DescriptorsTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                 pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                        \n",
+       "DescriptorsTutorialDataset_0000                8.68  2008.0   \n",
+       "DescriptorsTutorialDataset_0001                4.82  2010.0   \n",
+       "DescriptorsTutorialDataset_0002                5.65  2009.0   \n",
+       "DescriptorsTutorialDataset_0003                5.45  2009.0   \n",
+       "DescriptorsTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                             ...     ...   \n",
+       "DescriptorsTutorialDataset_4077                7.09  2018.0   \n",
+       "DescriptorsTutorialDataset_4078                8.22  2008.0   \n",
+       "DescriptorsTutorialDataset_4079                4.89  2010.0   \n",
+       "DescriptorsTutorialDataset_4080                6.51  2013.0   \n",
+       "DescriptorsTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                          QSPRID  \n",
+       "QSPRID                                                            \n",
+       "DescriptorsTutorialDataset_0000  DescriptorsTutorialDataset_0000  \n",
+       "DescriptorsTutorialDataset_0001  DescriptorsTutorialDataset_0001  \n",
+       "DescriptorsTutorialDataset_0002  DescriptorsTutorialDataset_0002  \n",
+       "DescriptorsTutorialDataset_0003  DescriptorsTutorialDataset_0003  \n",
+       "DescriptorsTutorialDataset_0004  DescriptorsTutorialDataset_0004  \n",
+       "...                                                          ...  \n",
+       "DescriptorsTutorialDataset_4077  DescriptorsTutorialDataset_4077  \n",
+       "DescriptorsTutorialDataset_4078  DescriptorsTutorialDataset_4078  \n",
+       "DescriptorsTutorialDataset_4079  DescriptorsTutorialDataset_4079  \n",
+       "DescriptorsTutorialDataset_4080  DescriptorsTutorialDataset_4080  \n",
+       "DescriptorsTutorialDataset_4081  DescriptorsTutorialDataset_4081  \n",
+       "\n",
+       "[4082 rows x 4 columns]"
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import MoleculeTable\n",
+    "import os\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = MoleculeTable.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"DescriptorsTutorialDataset\",\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Descriptor sets\n",
+    "\n",
+    "In QSPRpred, descriptors are organized into sets. Each `Descriptorset` can contain one or more types of descriptors. For example, `RDKitDescs`, will contain all physciochemical properties calculated with the RDKit, while `Mordred` will contain descriptors calculated with Mordred.\n",
+    "\n",
+    "Descriptors can be added to a dataset using the `addDescriptors` method. This method will calculate the descriptors and add them to the dataset."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "[<qsprpred.data.descriptors.sets.RDKitDescs at 0x7fdec67b6c20>]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.sets import RDKitDescs\n",
+    "\n",
+    "rdkit_descs = RDKitDescs()\n",
+    "\n",
+    "dataset.addDescriptors([rdkit_descs])\n",
+    "\n",
+    "dataset.descriptorSets"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "With the `getDescriptorsNames` method, we can retrieve the names of the calculated descriptors from the dataset and with the `getDescriptors` method, we can retrieve the calculated descriptors themselves."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "['AvgIpc',\n",
+       " 'BCUT2D_CHGHI',\n",
+       " 'BCUT2D_CHGLO',\n",
+       " 'BCUT2D_LOGPHI',\n",
+       " 'BCUT2D_LOGPLOW',\n",
+       " 'BCUT2D_MRHI',\n",
+       " 'BCUT2D_MRLOW',\n",
+       " 'BCUT2D_MWHI',\n",
+       " 'BCUT2D_MWLOW',\n",
+       " 'BalabanJ']"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>AvgIpc</th>\n",
+       "      <th>BCUT2D_CHGHI</th>\n",
+       "      <th>BCUT2D_CHGLO</th>\n",
+       "      <th>BCUT2D_LOGPHI</th>\n",
+       "      <th>BCUT2D_LOGPLOW</th>\n",
+       "      <th>BCUT2D_MRHI</th>\n",
+       "      <th>BCUT2D_MRLOW</th>\n",
+       "      <th>BCUT2D_MWHI</th>\n",
+       "      <th>BCUT2D_MWLOW</th>\n",
+       "      <th>BalabanJ</th>\n",
+       "      <th>...</th>\n",
+       "      <th>fr_sulfonamd</th>\n",
+       "      <th>fr_sulfone</th>\n",
+       "      <th>fr_term_acetylene</th>\n",
+       "      <th>fr_tetrazole</th>\n",
+       "      <th>fr_thiazole</th>\n",
+       "      <th>fr_thiocyan</th>\n",
+       "      <th>fr_thiophene</th>\n",
+       "      <th>fr_unbrch_alkane</th>\n",
+       "      <th>fr_urea</th>\n",
+       "      <th>qed</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>3.175462</td>\n",
+       "      <td>2.146917</td>\n",
+       "      <td>-2.111585</td>\n",
+       "      <td>2.224211</td>\n",
+       "      <td>-2.211801</td>\n",
+       "      <td>5.898030</td>\n",
+       "      <td>-0.115978</td>\n",
+       "      <td>16.342510</td>\n",
+       "      <td>10.325111</td>\n",
+       "      <td>1.979450</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.719563</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>2.962034</td>\n",
+       "      <td>2.203517</td>\n",
+       "      <td>-2.136048</td>\n",
+       "      <td>2.354533</td>\n",
+       "      <td>-2.114561</td>\n",
+       "      <td>7.208763</td>\n",
+       "      <td>-0.384429</td>\n",
+       "      <td>32.133541</td>\n",
+       "      <td>9.952695</td>\n",
+       "      <td>1.637290</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.537523</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>3.127957</td>\n",
+       "      <td>2.188200</td>\n",
+       "      <td>-2.067268</td>\n",
+       "      <td>2.189363</td>\n",
+       "      <td>-2.202950</td>\n",
+       "      <td>6.053281</td>\n",
+       "      <td>0.102176</td>\n",
+       "      <td>16.153774</td>\n",
+       "      <td>10.190780</td>\n",
+       "      <td>1.748699</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.517728</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>3.491801</td>\n",
+       "      <td>2.749014</td>\n",
+       "      <td>-2.231626</td>\n",
+       "      <td>2.674016</td>\n",
+       "      <td>-2.410868</td>\n",
+       "      <td>6.301607</td>\n",
+       "      <td>-0.140325</td>\n",
+       "      <td>35.495693</td>\n",
+       "      <td>9.981499</td>\n",
+       "      <td>1.448422</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.173447</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>3.236332</td>\n",
+       "      <td>2.185263</td>\n",
+       "      <td>-2.113838</td>\n",
+       "      <td>2.178416</td>\n",
+       "      <td>-2.404113</td>\n",
+       "      <td>7.903051</td>\n",
+       "      <td>0.095234</td>\n",
+       "      <td>32.227749</td>\n",
+       "      <td>10.184907</td>\n",
+       "      <td>1.581267</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>0.334943</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 210 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                   AvgIpc  BCUT2D_CHGHI  BCUT2D_CHGLO  \\\n",
+       "QSPRID                                                                  \n",
+       "DescriptorsTutorialDataset_0000  3.175462      2.146917     -2.111585   \n",
+       "DescriptorsTutorialDataset_0001  2.962034      2.203517     -2.136048   \n",
+       "DescriptorsTutorialDataset_0002  3.127957      2.188200     -2.067268   \n",
+       "DescriptorsTutorialDataset_0003  3.491801      2.749014     -2.231626   \n",
+       "DescriptorsTutorialDataset_0004  3.236332      2.185263     -2.113838   \n",
+       "\n",
+       "                                 BCUT2D_LOGPHI  BCUT2D_LOGPLOW  BCUT2D_MRHI  \\\n",
+       "QSPRID                                                                        \n",
+       "DescriptorsTutorialDataset_0000       2.224211       -2.211801     5.898030   \n",
+       "DescriptorsTutorialDataset_0001       2.354533       -2.114561     7.208763   \n",
+       "DescriptorsTutorialDataset_0002       2.189363       -2.202950     6.053281   \n",
+       "DescriptorsTutorialDataset_0003       2.674016       -2.410868     6.301607   \n",
+       "DescriptorsTutorialDataset_0004       2.178416       -2.404113     7.903051   \n",
+       "\n",
+       "                                 BCUT2D_MRLOW  BCUT2D_MWHI  BCUT2D_MWLOW  \\\n",
+       "QSPRID                                                                     \n",
+       "DescriptorsTutorialDataset_0000     -0.115978    16.342510     10.325111   \n",
+       "DescriptorsTutorialDataset_0001     -0.384429    32.133541      9.952695   \n",
+       "DescriptorsTutorialDataset_0002      0.102176    16.153774     10.190780   \n",
+       "DescriptorsTutorialDataset_0003     -0.140325    35.495693      9.981499   \n",
+       "DescriptorsTutorialDataset_0004      0.095234    32.227749     10.184907   \n",
+       "\n",
+       "                                 BalabanJ  ...  fr_sulfonamd  fr_sulfone  \\\n",
+       "QSPRID                                     ...                             \n",
+       "DescriptorsTutorialDataset_0000  1.979450  ...           0.0         0.0   \n",
+       "DescriptorsTutorialDataset_0001  1.637290  ...           0.0         0.0   \n",
+       "DescriptorsTutorialDataset_0002  1.748699  ...           0.0         0.0   \n",
+       "DescriptorsTutorialDataset_0003  1.448422  ...           0.0         0.0   \n",
+       "DescriptorsTutorialDataset_0004  1.581267  ...           0.0         1.0   \n",
+       "\n",
+       "                                 fr_term_acetylene  fr_tetrazole  fr_thiazole  \\\n",
+       "QSPRID                                                                          \n",
+       "DescriptorsTutorialDataset_0000                0.0           0.0          0.0   \n",
+       "DescriptorsTutorialDataset_0001                0.0           0.0          0.0   \n",
+       "DescriptorsTutorialDataset_0002                0.0           0.0          0.0   \n",
+       "DescriptorsTutorialDataset_0003                0.0           0.0          0.0   \n",
+       "DescriptorsTutorialDataset_0004                0.0           0.0          0.0   \n",
+       "\n",
+       "                                 fr_thiocyan  fr_thiophene  fr_unbrch_alkane  \\\n",
+       "QSPRID                                                                         \n",
+       "DescriptorsTutorialDataset_0000          0.0           0.0               0.0   \n",
+       "DescriptorsTutorialDataset_0001          0.0           1.0               0.0   \n",
+       "DescriptorsTutorialDataset_0002          0.0           0.0               0.0   \n",
+       "DescriptorsTutorialDataset_0003          0.0           0.0               2.0   \n",
+       "DescriptorsTutorialDataset_0004          0.0           0.0               1.0   \n",
+       "\n",
+       "                                 fr_urea       qed  \n",
+       "QSPRID                                              \n",
+       "DescriptorsTutorialDataset_0000      0.0  0.719563  \n",
+       "DescriptorsTutorialDataset_0001      0.0  0.537523  \n",
+       "DescriptorsTutorialDataset_0002      0.0  0.517728  \n",
+       "DescriptorsTutorialDataset_0003      0.0  0.173447  \n",
+       "DescriptorsTutorialDataset_0004      0.0  0.334943  \n",
+       "\n",
+       "[5 rows x 210 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "display(dataset.getDescriptorNames()[0:10])\n",
+    "\n",
+    "display(dataset.getDescriptors().head())\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Descriptors can also be calculate through the `prepareDataset` method of the `QSPRDataset` class."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "[<qsprpred.data.descriptors.sets.RDKitDescs object at 0x7fdec67b6c20>, <qsprpred.data.descriptors.fingerprints.MorganFP object at 0x7fde02fca290>]\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>AvgIpc</th>\n",
+       "      <th>BCUT2D_CHGHI</th>\n",
+       "      <th>BCUT2D_CHGLO</th>\n",
+       "      <th>BCUT2D_LOGPHI</th>\n",
+       "      <th>BCUT2D_LOGPLOW</th>\n",
+       "      <th>BCUT2D_MRHI</th>\n",
+       "      <th>BCUT2D_MRLOW</th>\n",
+       "      <th>BCUT2D_MWHI</th>\n",
+       "      <th>BCUT2D_MWLOW</th>\n",
+       "      <th>BalabanJ</th>\n",
+       "      <th>...</th>\n",
+       "      <th>MorganFP_118</th>\n",
+       "      <th>MorganFP_119</th>\n",
+       "      <th>MorganFP_120</th>\n",
+       "      <th>MorganFP_121</th>\n",
+       "      <th>MorganFP_122</th>\n",
+       "      <th>MorganFP_123</th>\n",
+       "      <th>MorganFP_124</th>\n",
+       "      <th>MorganFP_125</th>\n",
+       "      <th>MorganFP_126</th>\n",
+       "      <th>MorganFP_127</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>3.175462</td>\n",
+       "      <td>2.146917</td>\n",
+       "      <td>-2.111585</td>\n",
+       "      <td>2.224211</td>\n",
+       "      <td>-2.211801</td>\n",
+       "      <td>5.898030</td>\n",
+       "      <td>-0.115978</td>\n",
+       "      <td>16.342510</td>\n",
+       "      <td>10.325111</td>\n",
+       "      <td>1.979450</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>2.962034</td>\n",
+       "      <td>2.203517</td>\n",
+       "      <td>-2.136048</td>\n",
+       "      <td>2.354533</td>\n",
+       "      <td>-2.114561</td>\n",
+       "      <td>7.208763</td>\n",
+       "      <td>-0.384429</td>\n",
+       "      <td>32.133541</td>\n",
+       "      <td>9.952695</td>\n",
+       "      <td>1.637290</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>3.127957</td>\n",
+       "      <td>2.188200</td>\n",
+       "      <td>-2.067268</td>\n",
+       "      <td>2.189363</td>\n",
+       "      <td>-2.202950</td>\n",
+       "      <td>6.053281</td>\n",
+       "      <td>0.102176</td>\n",
+       "      <td>16.153774</td>\n",
+       "      <td>10.190780</td>\n",
+       "      <td>1.748699</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>3.491801</td>\n",
+       "      <td>2.749014</td>\n",
+       "      <td>-2.231626</td>\n",
+       "      <td>2.674016</td>\n",
+       "      <td>-2.410868</td>\n",
+       "      <td>6.301607</td>\n",
+       "      <td>-0.140325</td>\n",
+       "      <td>35.495693</td>\n",
+       "      <td>9.981499</td>\n",
+       "      <td>1.448422</td>\n",
+       "      <td>...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>3.236332</td>\n",
+       "      <td>2.185263</td>\n",
+       "      <td>-2.113838</td>\n",
+       "      <td>2.178416</td>\n",
+       "      <td>-2.404113</td>\n",
+       "      <td>7.903051</td>\n",
+       "      <td>0.095234</td>\n",
+       "      <td>32.227749</td>\n",
+       "      <td>10.184907</td>\n",
+       "      <td>1.581267</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 338 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                   AvgIpc  BCUT2D_CHGHI  BCUT2D_CHGLO  \\\n",
+       "QSPRID                                                                  \n",
+       "DescriptorsTutorialDataset_0000  3.175462      2.146917     -2.111585   \n",
+       "DescriptorsTutorialDataset_0001  2.962034      2.203517     -2.136048   \n",
+       "DescriptorsTutorialDataset_0002  3.127957      2.188200     -2.067268   \n",
+       "DescriptorsTutorialDataset_0003  3.491801      2.749014     -2.231626   \n",
+       "DescriptorsTutorialDataset_0004  3.236332      2.185263     -2.113838   \n",
+       "\n",
+       "                                 BCUT2D_LOGPHI  BCUT2D_LOGPLOW  BCUT2D_MRHI  \\\n",
+       "QSPRID                                                                        \n",
+       "DescriptorsTutorialDataset_0000       2.224211       -2.211801     5.898030   \n",
+       "DescriptorsTutorialDataset_0001       2.354533       -2.114561     7.208763   \n",
+       "DescriptorsTutorialDataset_0002       2.189363       -2.202950     6.053281   \n",
+       "DescriptorsTutorialDataset_0003       2.674016       -2.410868     6.301607   \n",
+       "DescriptorsTutorialDataset_0004       2.178416       -2.404113     7.903051   \n",
+       "\n",
+       "                                 BCUT2D_MRLOW  BCUT2D_MWHI  BCUT2D_MWLOW  \\\n",
+       "QSPRID                                                                     \n",
+       "DescriptorsTutorialDataset_0000     -0.115978    16.342510     10.325111   \n",
+       "DescriptorsTutorialDataset_0001     -0.384429    32.133541      9.952695   \n",
+       "DescriptorsTutorialDataset_0002      0.102176    16.153774     10.190780   \n",
+       "DescriptorsTutorialDataset_0003     -0.140325    35.495693      9.981499   \n",
+       "DescriptorsTutorialDataset_0004      0.095234    32.227749     10.184907   \n",
+       "\n",
+       "                                 BalabanJ  ...  MorganFP_118  MorganFP_119  \\\n",
+       "QSPRID                                     ...                               \n",
+       "DescriptorsTutorialDataset_0000  1.979450  ...         False         False   \n",
+       "DescriptorsTutorialDataset_0001  1.637290  ...         False         False   \n",
+       "DescriptorsTutorialDataset_0002  1.748699  ...         False         False   \n",
+       "DescriptorsTutorialDataset_0003  1.448422  ...          True         False   \n",
+       "DescriptorsTutorialDataset_0004  1.581267  ...         False         False   \n",
+       "\n",
+       "                                 MorganFP_120  MorganFP_121  MorganFP_122  \\\n",
+       "QSPRID                                                                      \n",
+       "DescriptorsTutorialDataset_0000         False          True          True   \n",
+       "DescriptorsTutorialDataset_0001         False         False          True   \n",
+       "DescriptorsTutorialDataset_0002          True         False          True   \n",
+       "DescriptorsTutorialDataset_0003         False         False          True   \n",
+       "DescriptorsTutorialDataset_0004          True         False          True   \n",
+       "\n",
+       "                                 MorganFP_123  MorganFP_124  MorganFP_125  \\\n",
+       "QSPRID                                                                      \n",
+       "DescriptorsTutorialDataset_0000          True          True          True   \n",
+       "DescriptorsTutorialDataset_0001         False          True          True   \n",
+       "DescriptorsTutorialDataset_0002         False         False          True   \n",
+       "DescriptorsTutorialDataset_0003          True          True          True   \n",
+       "DescriptorsTutorialDataset_0004         False          True          True   \n",
+       "\n",
+       "                                 MorganFP_126  MorganFP_127  \n",
+       "QSPRID                                                       \n",
+       "DescriptorsTutorialDataset_0000         False         False  \n",
+       "DescriptorsTutorialDataset_0001          True          True  \n",
+       "DescriptorsTutorialDataset_0002         False         False  \n",
+       "DescriptorsTutorialDataset_0003         False         False  \n",
+       "DescriptorsTutorialDataset_0004         False         False  \n",
+       "\n",
+       "[5 rows x 338 columns]"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import QSPRDataset\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "qspr_dataset = QSPRDataset.fromMolTable(\n",
+    "    dataset,\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    name = \"DescriptorsTutorialQSPRDataset\"\n",
+    ")\n",
+    "\n",
+    "qspr_dataset.prepareDataset(feature_calculators=[MorganFP(radius=2, nBits=128)])\n",
+    "\n",
+    "print(qspr_dataset.descriptorSets)\n",
+    "qspr_dataset.getDescriptors().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Note. if applying any feature standardization or feature filtering, this will not be reflected in the descriptor dataframe. Instead the original descriptors will be returned by the `getDescriptors` method. To retrieve the standardized or filtered descriptors, use the `getFeatures` method."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Descriptorsets can also be used to directly calculate descriptors for a list of molecules using the `calculateDescriptors` method."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[1., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0.,\n",
+       "        0., 0., 1., 0., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 0., 0.,\n",
+       "        0., 1., 0., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 0., 0., 0.,\n",
+       "        0., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 0., 0., 0., 0., 1.,\n",
+       "        0., 0., 1., 0., 0., 0., 0., 0., 0., 0., 0., 1., 0., 0., 0., 0.,\n",
+       "        0., 1., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 0., 0., 0., 0.,\n",
+       "        0., 0., 0., 0., 1., 0., 0., 0., 0., 1., 0., 0., 0., 0., 0., 0.,\n",
+       "        0., 0., 1., 0., 0., 1., 0., 0., 0., 1., 0., 0., 0., 1., 0., 0.],\n",
+       "       [0., 0., 0., 0., 0., 0., 0., 1., 0., 0., 1., 0., 0., 0., 1., 1.,\n",
+       "        1., 0., 0., 1., 0., 1., 1., 0., 1., 1., 0., 0., 0., 1., 1., 0.,\n",
+       "        0., 1., 0., 0., 1., 0., 0., 1., 1., 0., 1., 0., 1., 0., 0., 0.,\n",
+       "        0., 0., 0., 0., 0., 0., 0., 1., 0., 1., 0., 1., 1., 0., 0., 0.,\n",
+       "        0., 1., 1., 1., 1., 0., 0., 1., 1., 0., 0., 0., 0., 1., 0., 0.,\n",
+       "        0., 1., 0., 1., 1., 0., 1., 0., 0., 0., 0., 0., 0., 0., 0., 0.,\n",
+       "        0., 0., 0., 0., 1., 0., 1., 1., 0., 1., 0., 0., 0., 0., 1., 0.,\n",
+       "        0., 1., 0., 0., 0., 0., 0., 0., 0., 1., 0., 1., 0., 0., 0., 0.]])"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from rdkit import Chem\n",
+    "\n",
+    "smiles = [\"CC(=O)NC1=CC=C(C=C1)O\", \"CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O\"]\n",
+    "mols = [Chem.MolFromSmiles(smiles) for smiles in smiles]\n",
+    "\n",
+    "morgan_fp = MorganFP(radius=2, nBits=128)\n",
+    "\n",
+    "morgan_fp.getDescriptors(mols, props=None)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Examples\n",
+    "\n",
+    "Here, we will go over a few examples of the available descriptor sets. The full list of available descriptor sets can be found in the [documentation](https://cddleiden.github.io/QSPRpred/docs/features.html). Note that some descriptors sets may require additional dependencies to be installed in order to be used, see [installation instructions](https://cddleiden.github.io/QSPRpred/docs-dev/install.html) for more information."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Fingerprints\n",
+    "\n",
+    "Fingerprints are a type of molecular descriptor that encode the presence or absence of substructures in a molecule. They are often used in cheminformatics for tasks such as similarity searching and clustering. In QSPRpred, fingerprints can be calculated with the `Fingerprints` descriptor sets. Each bit of the fingerprint is a separate descriptor. In the previous example, we have shown how to calculate the Morgan fingerprints with the `Fingerprints` descriptor set. Another type of fingerprint that can be calculated with QSPRpred is the MACCS keys."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Molecular descriptors already exist in DescriptorsTutorialDataset. Calculation will be skipped. Use `recalculate=True` to overwrite them.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>AvgIpc</th>\n",
+       "      <th>BCUT2D_CHGHI</th>\n",
+       "      <th>BCUT2D_CHGLO</th>\n",
+       "      <th>BCUT2D_LOGPHI</th>\n",
+       "      <th>BCUT2D_LOGPLOW</th>\n",
+       "      <th>BCUT2D_MRHI</th>\n",
+       "      <th>BCUT2D_MRLOW</th>\n",
+       "      <th>BCUT2D_MWHI</th>\n",
+       "      <th>BCUT2D_MWLOW</th>\n",
+       "      <th>BalabanJ</th>\n",
+       "      <th>...</th>\n",
+       "      <th>MACCSFP_157</th>\n",
+       "      <th>MACCSFP_158</th>\n",
+       "      <th>MACCSFP_159</th>\n",
+       "      <th>MACCSFP_160</th>\n",
+       "      <th>MACCSFP_161</th>\n",
+       "      <th>MACCSFP_162</th>\n",
+       "      <th>MACCSFP_163</th>\n",
+       "      <th>MACCSFP_164</th>\n",
+       "      <th>MACCSFP_165</th>\n",
+       "      <th>MACCSFP_166</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
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+       "      <th></th>\n",
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+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>3.175462</td>\n",
+       "      <td>2.146917</td>\n",
+       "      <td>-2.111585</td>\n",
+       "      <td>2.224211</td>\n",
+       "      <td>-2.211801</td>\n",
+       "      <td>5.898030</td>\n",
+       "      <td>-0.115978</td>\n",
+       "      <td>16.342510</td>\n",
+       "      <td>10.325111</td>\n",
+       "      <td>1.979450</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>2.962034</td>\n",
+       "      <td>2.203517</td>\n",
+       "      <td>-2.136048</td>\n",
+       "      <td>2.354533</td>\n",
+       "      <td>-2.114561</td>\n",
+       "      <td>7.208763</td>\n",
+       "      <td>-0.384429</td>\n",
+       "      <td>32.133541</td>\n",
+       "      <td>9.952695</td>\n",
+       "      <td>1.637290</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>3.127957</td>\n",
+       "      <td>2.188200</td>\n",
+       "      <td>-2.067268</td>\n",
+       "      <td>2.189363</td>\n",
+       "      <td>-2.202950</td>\n",
+       "      <td>6.053281</td>\n",
+       "      <td>0.102176</td>\n",
+       "      <td>16.153774</td>\n",
+       "      <td>10.190780</td>\n",
+       "      <td>1.748699</td>\n",
+       "      <td>...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>3.491801</td>\n",
+       "      <td>2.749014</td>\n",
+       "      <td>-2.231626</td>\n",
+       "      <td>2.674016</td>\n",
+       "      <td>-2.410868</td>\n",
+       "      <td>6.301607</td>\n",
+       "      <td>-0.140325</td>\n",
+       "      <td>35.495693</td>\n",
+       "      <td>9.981499</td>\n",
+       "      <td>1.448422</td>\n",
+       "      <td>...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>3.236332</td>\n",
+       "      <td>2.185263</td>\n",
+       "      <td>-2.113838</td>\n",
+       "      <td>2.178416</td>\n",
+       "      <td>-2.404113</td>\n",
+       "      <td>7.903051</td>\n",
+       "      <td>0.095234</td>\n",
+       "      <td>32.227749</td>\n",
+       "      <td>10.184907</td>\n",
+       "      <td>1.581267</td>\n",
+       "      <td>...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>True</td>\n",
+       "      <td>False</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 505 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                   AvgIpc  BCUT2D_CHGHI  BCUT2D_CHGLO  \\\n",
+       "QSPRID                                                                  \n",
+       "DescriptorsTutorialDataset_0000  3.175462      2.146917     -2.111585   \n",
+       "DescriptorsTutorialDataset_0001  2.962034      2.203517     -2.136048   \n",
+       "DescriptorsTutorialDataset_0002  3.127957      2.188200     -2.067268   \n",
+       "DescriptorsTutorialDataset_0003  3.491801      2.749014     -2.231626   \n",
+       "DescriptorsTutorialDataset_0004  3.236332      2.185263     -2.113838   \n",
+       "\n",
+       "                                 BCUT2D_LOGPHI  BCUT2D_LOGPLOW  BCUT2D_MRHI  \\\n",
+       "QSPRID                                                                        \n",
+       "DescriptorsTutorialDataset_0000       2.224211       -2.211801     5.898030   \n",
+       "DescriptorsTutorialDataset_0001       2.354533       -2.114561     7.208763   \n",
+       "DescriptorsTutorialDataset_0002       2.189363       -2.202950     6.053281   \n",
+       "DescriptorsTutorialDataset_0003       2.674016       -2.410868     6.301607   \n",
+       "DescriptorsTutorialDataset_0004       2.178416       -2.404113     7.903051   \n",
+       "\n",
+       "                                 BCUT2D_MRLOW  BCUT2D_MWHI  BCUT2D_MWLOW  \\\n",
+       "QSPRID                                                                     \n",
+       "DescriptorsTutorialDataset_0000     -0.115978    16.342510     10.325111   \n",
+       "DescriptorsTutorialDataset_0001     -0.384429    32.133541      9.952695   \n",
+       "DescriptorsTutorialDataset_0002      0.102176    16.153774     10.190780   \n",
+       "DescriptorsTutorialDataset_0003     -0.140325    35.495693      9.981499   \n",
+       "DescriptorsTutorialDataset_0004      0.095234    32.227749     10.184907   \n",
+       "\n",
+       "                                 BalabanJ  ...  MACCSFP_157  MACCSFP_158  \\\n",
+       "QSPRID                                     ...                             \n",
+       "DescriptorsTutorialDataset_0000  1.979450  ...        False         True   \n",
+       "DescriptorsTutorialDataset_0001  1.637290  ...        False         True   \n",
+       "DescriptorsTutorialDataset_0002  1.748699  ...        False         True   \n",
+       "DescriptorsTutorialDataset_0003  1.448422  ...         True         True   \n",
+       "DescriptorsTutorialDataset_0004  1.581267  ...         True         True   \n",
+       "\n",
+       "                                 MACCSFP_159  MACCSFP_160  MACCSFP_161  \\\n",
+       "QSPRID                                                                   \n",
+       "DescriptorsTutorialDataset_0000         True         True         True   \n",
+       "DescriptorsTutorialDataset_0001         True        False         True   \n",
+       "DescriptorsTutorialDataset_0002         True        False         True   \n",
+       "DescriptorsTutorialDataset_0003         True         True         True   \n",
+       "DescriptorsTutorialDataset_0004         True         True         True   \n",
+       "\n",
+       "                                 MACCSFP_162  MACCSFP_163  MACCSFP_164  \\\n",
+       "QSPRID                                                                   \n",
+       "DescriptorsTutorialDataset_0000         True         True         True   \n",
+       "DescriptorsTutorialDataset_0001         True         True         True   \n",
+       "DescriptorsTutorialDataset_0002         True         True         True   \n",
+       "DescriptorsTutorialDataset_0003         True         True         True   \n",
+       "DescriptorsTutorialDataset_0004         True         True         True   \n",
+       "\n",
+       "                                 MACCSFP_165  MACCSFP_166  \n",
+       "QSPRID                                                     \n",
+       "DescriptorsTutorialDataset_0000         True        False  \n",
+       "DescriptorsTutorialDataset_0001         True        False  \n",
+       "DescriptorsTutorialDataset_0002         True        False  \n",
+       "DescriptorsTutorialDataset_0003         True        False  \n",
+       "DescriptorsTutorialDataset_0004         True        False  \n",
+       "\n",
+       "[5 rows x 505 columns]"
+      ]
+     },
+     "execution_count": 10,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MaccsFP\n",
+    "\n",
+    "dataset.addDescriptors([MaccsFP()])\n",
+    "\n",
+    "qspr_dataset.getDescriptors().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Pre-calculated descriptors\n",
+    "\n",
+    "In addition to calculating descriptors with QSPRpred, it is also possible to add pre-calculated descriptors to a dataset. This can be done with the `DataFrameDescriptorSet` class. This class takes a pandas DataFrame as input, where the rows correspond to the molecules and the columns correspond to the descriptors. The `DataFrameDescriptorSet` can then be added to a dataset with the `addDescriptors` method.\n",
+    "\n",
+    "Note. that with pre-calculated descriptors, the prediction with trained models will be limited to molecules that are present in the pre-calculated descriptor dataframe."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
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+       "<style scoped>\n",
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+       "      <th></th>\n",
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+       "      <td>0.112048</td>\n",
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+       "      <td>0.936078</td>\n",
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+       "      <td>0.030565</td>\n",
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+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>0.655816</td>\n",
+       "      <td>0.116491</td>\n",
+       "      <td>0.986175</td>\n",
+       "      <td>0.075547</td>\n",
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+       "      <td>0.663333</td>\n",
+       "      <td>0.496793</td>\n",
+       "      <td>0.773352</td>\n",
+       "      <td>0.893256</td>\n",
+       "      <td>0.202822</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>0.158306</td>\n",
+       "      <td>0.903855</td>\n",
+       "      <td>0.524730</td>\n",
+       "      <td>0.189414</td>\n",
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+       "      <td>0.313358</td>\n",
+       "      <td>0.317254</td>\n",
+       "      <td>0.599103</td>\n",
+       "      <td>0.524731</td>\n",
+       "      <td>0.363653</td>\n",
+       "    </tr>\n",
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+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>0.257356</td>\n",
+       "      <td>0.939345</td>\n",
+       "      <td>0.165602</td>\n",
+       "      <td>0.025083</td>\n",
+       "      <td>0.607322</td>\n",
+       "      <td>0.767123</td>\n",
+       "      <td>0.957342</td>\n",
+       "      <td>0.398412</td>\n",
+       "      <td>0.933713</td>\n",
+       "      <td>0.760190</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>0.823825</td>\n",
+       "      <td>0.061939</td>\n",
+       "      <td>0.439873</td>\n",
+       "      <td>0.914717</td>\n",
+       "      <td>0.175722</td>\n",
+       "      <td>0.769527</td>\n",
+       "      <td>0.570256</td>\n",
+       "      <td>0.837922</td>\n",
+       "      <td>0.642899</td>\n",
+       "      <td>0.499636</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                 random_0  random_1  random_2  random_3  \\\n",
+       "QSPRID                                                                    \n",
+       "DescriptorsTutorialDataset_0000  0.112048  0.800043  0.936078  0.062755   \n",
+       "DescriptorsTutorialDataset_0001  0.655816  0.116491  0.986175  0.075547   \n",
+       "DescriptorsTutorialDataset_0002  0.158306  0.903855  0.524730  0.189414   \n",
+       "DescriptorsTutorialDataset_0003  0.257356  0.939345  0.165602  0.025083   \n",
+       "DescriptorsTutorialDataset_0004  0.823825  0.061939  0.439873  0.914717   \n",
+       "\n",
+       "                                 random_4  random_5  random_6  random_7  \\\n",
+       "QSPRID                                                                    \n",
+       "DescriptorsTutorialDataset_0000  0.640164  0.496888  0.711522  0.024552   \n",
+       "DescriptorsTutorialDataset_0001  0.499157  0.663333  0.496793  0.773352   \n",
+       "DescriptorsTutorialDataset_0002  0.310671  0.313358  0.317254  0.599103   \n",
+       "DescriptorsTutorialDataset_0003  0.607322  0.767123  0.957342  0.398412   \n",
+       "DescriptorsTutorialDataset_0004  0.175722  0.769527  0.570256  0.837922   \n",
+       "\n",
+       "                                 random_8  random_9  \n",
+       "QSPRID                                               \n",
+       "DescriptorsTutorialDataset_0000  0.342392  0.030565  \n",
+       "DescriptorsTutorialDataset_0001  0.893256  0.202822  \n",
+       "DescriptorsTutorialDataset_0002  0.524731  0.363653  \n",
+       "DescriptorsTutorialDataset_0003  0.933713  0.760190  \n",
+       "DescriptorsTutorialDataset_0004  0.642899  0.499636  "
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
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+       "      <th></th>\n",
+       "      <th>AvgIpc</th>\n",
+       "      <th>BCUT2D_CHGHI</th>\n",
+       "      <th>BCUT2D_CHGLO</th>\n",
+       "      <th>BCUT2D_LOGPHI</th>\n",
+       "      <th>BCUT2D_LOGPLOW</th>\n",
+       "      <th>BCUT2D_MRHI</th>\n",
+       "      <th>BCUT2D_MRLOW</th>\n",
+       "      <th>BCUT2D_MWHI</th>\n",
+       "      <th>BCUT2D_MWLOW</th>\n",
+       "      <th>BalabanJ</th>\n",
+       "      <th>...</th>\n",
+       "      <th>random_0</th>\n",
+       "      <th>random_1</th>\n",
+       "      <th>random_2</th>\n",
+       "      <th>random_3</th>\n",
+       "      <th>random_4</th>\n",
+       "      <th>random_5</th>\n",
+       "      <th>random_6</th>\n",
+       "      <th>random_7</th>\n",
+       "      <th>random_8</th>\n",
+       "      <th>random_9</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>3.175462</td>\n",
+       "      <td>2.146917</td>\n",
+       "      <td>-2.111585</td>\n",
+       "      <td>2.224211</td>\n",
+       "      <td>-2.211801</td>\n",
+       "      <td>5.898030</td>\n",
+       "      <td>-0.115978</td>\n",
+       "      <td>16.342510</td>\n",
+       "      <td>10.325111</td>\n",
+       "      <td>1.979450</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.112048</td>\n",
+       "      <td>0.800043</td>\n",
+       "      <td>0.936078</td>\n",
+       "      <td>0.062755</td>\n",
+       "      <td>0.640164</td>\n",
+       "      <td>0.496888</td>\n",
+       "      <td>0.711522</td>\n",
+       "      <td>0.024552</td>\n",
+       "      <td>0.342392</td>\n",
+       "      <td>0.030565</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>2.962034</td>\n",
+       "      <td>2.203517</td>\n",
+       "      <td>-2.136048</td>\n",
+       "      <td>2.354533</td>\n",
+       "      <td>-2.114561</td>\n",
+       "      <td>7.208763</td>\n",
+       "      <td>-0.384429</td>\n",
+       "      <td>32.133541</td>\n",
+       "      <td>9.952695</td>\n",
+       "      <td>1.637290</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.655816</td>\n",
+       "      <td>0.116491</td>\n",
+       "      <td>0.986175</td>\n",
+       "      <td>0.075547</td>\n",
+       "      <td>0.499157</td>\n",
+       "      <td>0.663333</td>\n",
+       "      <td>0.496793</td>\n",
+       "      <td>0.773352</td>\n",
+       "      <td>0.893256</td>\n",
+       "      <td>0.202822</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>3.127957</td>\n",
+       "      <td>2.188200</td>\n",
+       "      <td>-2.067268</td>\n",
+       "      <td>2.189363</td>\n",
+       "      <td>-2.202950</td>\n",
+       "      <td>6.053281</td>\n",
+       "      <td>0.102176</td>\n",
+       "      <td>16.153774</td>\n",
+       "      <td>10.190780</td>\n",
+       "      <td>1.748699</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.158306</td>\n",
+       "      <td>0.903855</td>\n",
+       "      <td>0.524730</td>\n",
+       "      <td>0.189414</td>\n",
+       "      <td>0.310671</td>\n",
+       "      <td>0.313358</td>\n",
+       "      <td>0.317254</td>\n",
+       "      <td>0.599103</td>\n",
+       "      <td>0.524731</td>\n",
+       "      <td>0.363653</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>3.491801</td>\n",
+       "      <td>2.749014</td>\n",
+       "      <td>-2.231626</td>\n",
+       "      <td>2.674016</td>\n",
+       "      <td>-2.410868</td>\n",
+       "      <td>6.301607</td>\n",
+       "      <td>-0.140325</td>\n",
+       "      <td>35.495693</td>\n",
+       "      <td>9.981499</td>\n",
+       "      <td>1.448422</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.257356</td>\n",
+       "      <td>0.939345</td>\n",
+       "      <td>0.165602</td>\n",
+       "      <td>0.025083</td>\n",
+       "      <td>0.607322</td>\n",
+       "      <td>0.767123</td>\n",
+       "      <td>0.957342</td>\n",
+       "      <td>0.398412</td>\n",
+       "      <td>0.933713</td>\n",
+       "      <td>0.760190</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>3.236332</td>\n",
+       "      <td>2.185263</td>\n",
+       "      <td>-2.113838</td>\n",
+       "      <td>2.178416</td>\n",
+       "      <td>-2.404113</td>\n",
+       "      <td>7.903051</td>\n",
+       "      <td>0.095234</td>\n",
+       "      <td>32.227749</td>\n",
+       "      <td>10.184907</td>\n",
+       "      <td>1.581267</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.823825</td>\n",
+       "      <td>0.061939</td>\n",
+       "      <td>0.439873</td>\n",
+       "      <td>0.914717</td>\n",
+       "      <td>0.175722</td>\n",
+       "      <td>0.769527</td>\n",
+       "      <td>0.570256</td>\n",
+       "      <td>0.837922</td>\n",
+       "      <td>0.642899</td>\n",
+       "      <td>0.499636</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 515 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                   AvgIpc  BCUT2D_CHGHI  BCUT2D_CHGLO  \\\n",
+       "QSPRID                                                                  \n",
+       "DescriptorsTutorialDataset_0000  3.175462      2.146917     -2.111585   \n",
+       "DescriptorsTutorialDataset_0001  2.962034      2.203517     -2.136048   \n",
+       "DescriptorsTutorialDataset_0002  3.127957      2.188200     -2.067268   \n",
+       "DescriptorsTutorialDataset_0003  3.491801      2.749014     -2.231626   \n",
+       "DescriptorsTutorialDataset_0004  3.236332      2.185263     -2.113838   \n",
+       "\n",
+       "                                 BCUT2D_LOGPHI  BCUT2D_LOGPLOW  BCUT2D_MRHI  \\\n",
+       "QSPRID                                                                        \n",
+       "DescriptorsTutorialDataset_0000       2.224211       -2.211801     5.898030   \n",
+       "DescriptorsTutorialDataset_0001       2.354533       -2.114561     7.208763   \n",
+       "DescriptorsTutorialDataset_0002       2.189363       -2.202950     6.053281   \n",
+       "DescriptorsTutorialDataset_0003       2.674016       -2.410868     6.301607   \n",
+       "DescriptorsTutorialDataset_0004       2.178416       -2.404113     7.903051   \n",
+       "\n",
+       "                                 BCUT2D_MRLOW  BCUT2D_MWHI  BCUT2D_MWLOW  \\\n",
+       "QSPRID                                                                     \n",
+       "DescriptorsTutorialDataset_0000     -0.115978    16.342510     10.325111   \n",
+       "DescriptorsTutorialDataset_0001     -0.384429    32.133541      9.952695   \n",
+       "DescriptorsTutorialDataset_0002      0.102176    16.153774     10.190780   \n",
+       "DescriptorsTutorialDataset_0003     -0.140325    35.495693      9.981499   \n",
+       "DescriptorsTutorialDataset_0004      0.095234    32.227749     10.184907   \n",
+       "\n",
+       "                                 BalabanJ  ...  random_0  random_1  random_2  \\\n",
+       "QSPRID                                     ...                                 \n",
+       "DescriptorsTutorialDataset_0000  1.979450  ...  0.112048  0.800043  0.936078   \n",
+       "DescriptorsTutorialDataset_0001  1.637290  ...  0.655816  0.116491  0.986175   \n",
+       "DescriptorsTutorialDataset_0002  1.748699  ...  0.158306  0.903855  0.524730   \n",
+       "DescriptorsTutorialDataset_0003  1.448422  ...  0.257356  0.939345  0.165602   \n",
+       "DescriptorsTutorialDataset_0004  1.581267  ...  0.823825  0.061939  0.439873   \n",
+       "\n",
+       "                                 random_3  random_4  random_5  random_6  \\\n",
+       "QSPRID                                                                    \n",
+       "DescriptorsTutorialDataset_0000  0.062755  0.640164  0.496888  0.711522   \n",
+       "DescriptorsTutorialDataset_0001  0.075547  0.499157  0.663333  0.496793   \n",
+       "DescriptorsTutorialDataset_0002  0.189414  0.310671  0.313358  0.317254   \n",
+       "DescriptorsTutorialDataset_0003  0.025083  0.607322  0.767123  0.957342   \n",
+       "DescriptorsTutorialDataset_0004  0.914717  0.175722  0.769527  0.570256   \n",
+       "\n",
+       "                                 random_7  random_8  random_9  \n",
+       "QSPRID                                                         \n",
+       "DescriptorsTutorialDataset_0000  0.024552  0.342392  0.030565  \n",
+       "DescriptorsTutorialDataset_0001  0.773352  0.893256  0.202822  \n",
+       "DescriptorsTutorialDataset_0002  0.599103  0.524731  0.363653  \n",
+       "DescriptorsTutorialDataset_0003  0.398412  0.933713  0.760190  \n",
+       "DescriptorsTutorialDataset_0004  0.837922  0.642899  0.499636  \n",
+       "\n",
+       "[5 rows x 515 columns]"
+      ]
+     },
+     "execution_count": 11,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.sets import DataFrameDescriptorSet\n",
+    "import numpy as np\n",
+    "import pandas as pd\n",
+    "\n",
+    "# Create a dataframe with 10 columns of random values with the same index as the dataset\n",
+    "index = dataset.getDF().index\n",
+    "random_descriptors = pd.DataFrame(np.random.rand(len(index), 10),\n",
+    "                                  index=index,\n",
+    "                                  columns=[f\"random_{i}\" for i in range(10)])\n",
+    "display(random_descriptors.head())\n",
+    "\n",
+    "# Create a DataFrameDescriptorSet from the random descriptors\n",
+    "random_descriptor_set = DataFrameDescriptorSet(random_descriptors)\n",
+    "dataset.addDescriptors([random_descriptor_set])\n",
+    "dataset.getDescriptors().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Using a trained model to calculate descriptors\n",
+    "\n",
+    "In some cases, it may be useful to use a trained model to calculate properties of a molecule that can than be used as descriptors. This can be done with the `PredictorDesc` class. This class takes a trained model as input and uses it to make predictions for a set of molecules. The predictions are then added to the dataset as descriptors with the `addDescriptors` method."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# First we need to create a model to use as descriptor set\n",
+    "from qsprpred.models.scikit_learn import SklearnModel\n",
+    "from sklearn.ensemble import RandomForestRegressor\n",
+    "\n",
+    "dataset_for_predictor = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"DescriptorsTutorialPredictorDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}]\n",
+    ")\n",
+    "\n",
+    "dataset_for_predictor.prepareDataset(feature_calculators=[MorganFP(radius=2, nBits=128)])\n",
+    "\n",
+    "model = SklearnModel(base_dir=\"../../tutorial_output/models\",\n",
+    "                     name=\"DescriptorsTutorialModel\",\n",
+    "                     alg=RandomForestRegressor)\n",
+    "\n",
+    "_ = model.fitDataset(dataset_for_predictor)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>AvgIpc</th>\n",
+       "      <th>BCUT2D_CHGHI</th>\n",
+       "      <th>BCUT2D_CHGLO</th>\n",
+       "      <th>BCUT2D_LOGPHI</th>\n",
+       "      <th>BCUT2D_LOGPLOW</th>\n",
+       "      <th>BCUT2D_MRHI</th>\n",
+       "      <th>BCUT2D_MRLOW</th>\n",
+       "      <th>BCUT2D_MWHI</th>\n",
+       "      <th>BCUT2D_MWLOW</th>\n",
+       "      <th>BalabanJ</th>\n",
+       "      <th>...</th>\n",
+       "      <th>random_1</th>\n",
+       "      <th>random_2</th>\n",
+       "      <th>random_3</th>\n",
+       "      <th>random_4</th>\n",
+       "      <th>random_5</th>\n",
+       "      <th>random_6</th>\n",
+       "      <th>random_7</th>\n",
+       "      <th>random_8</th>\n",
+       "      <th>random_9</th>\n",
+       "      <th>DescriptorsTutorialModel</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0000</th>\n",
+       "      <td>3.175462</td>\n",
+       "      <td>2.146917</td>\n",
+       "      <td>-2.111585</td>\n",
+       "      <td>2.224211</td>\n",
+       "      <td>-2.211801</td>\n",
+       "      <td>5.898030</td>\n",
+       "      <td>-0.115978</td>\n",
+       "      <td>16.342510</td>\n",
+       "      <td>10.325111</td>\n",
+       "      <td>1.979450</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.800043</td>\n",
+       "      <td>0.936078</td>\n",
+       "      <td>0.062755</td>\n",
+       "      <td>0.640164</td>\n",
+       "      <td>0.496888</td>\n",
+       "      <td>0.711522</td>\n",
+       "      <td>0.024552</td>\n",
+       "      <td>0.342392</td>\n",
+       "      <td>0.030565</td>\n",
+       "      <td>8.717900</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0001</th>\n",
+       "      <td>2.962034</td>\n",
+       "      <td>2.203517</td>\n",
+       "      <td>-2.136048</td>\n",
+       "      <td>2.354533</td>\n",
+       "      <td>-2.114561</td>\n",
+       "      <td>7.208763</td>\n",
+       "      <td>-0.384429</td>\n",
+       "      <td>32.133541</td>\n",
+       "      <td>9.952695</td>\n",
+       "      <td>1.637290</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.116491</td>\n",
+       "      <td>0.986175</td>\n",
+       "      <td>0.075547</td>\n",
+       "      <td>0.499157</td>\n",
+       "      <td>0.663333</td>\n",
+       "      <td>0.496793</td>\n",
+       "      <td>0.773352</td>\n",
+       "      <td>0.893256</td>\n",
+       "      <td>0.202822</td>\n",
+       "      <td>5.564867</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0002</th>\n",
+       "      <td>3.127957</td>\n",
+       "      <td>2.188200</td>\n",
+       "      <td>-2.067268</td>\n",
+       "      <td>2.189363</td>\n",
+       "      <td>-2.202950</td>\n",
+       "      <td>6.053281</td>\n",
+       "      <td>0.102176</td>\n",
+       "      <td>16.153774</td>\n",
+       "      <td>10.190780</td>\n",
+       "      <td>1.748699</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.903855</td>\n",
+       "      <td>0.524730</td>\n",
+       "      <td>0.189414</td>\n",
+       "      <td>0.310671</td>\n",
+       "      <td>0.313358</td>\n",
+       "      <td>0.317254</td>\n",
+       "      <td>0.599103</td>\n",
+       "      <td>0.524731</td>\n",
+       "      <td>0.363653</td>\n",
+       "      <td>6.110800</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0003</th>\n",
+       "      <td>3.491801</td>\n",
+       "      <td>2.749014</td>\n",
+       "      <td>-2.231626</td>\n",
+       "      <td>2.674016</td>\n",
+       "      <td>-2.410868</td>\n",
+       "      <td>6.301607</td>\n",
+       "      <td>-0.140325</td>\n",
+       "      <td>35.495693</td>\n",
+       "      <td>9.981499</td>\n",
+       "      <td>1.448422</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.939345</td>\n",
+       "      <td>0.165602</td>\n",
+       "      <td>0.025083</td>\n",
+       "      <td>0.607322</td>\n",
+       "      <td>0.767123</td>\n",
+       "      <td>0.957342</td>\n",
+       "      <td>0.398412</td>\n",
+       "      <td>0.933713</td>\n",
+       "      <td>0.760190</td>\n",
+       "      <td>5.476770</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>DescriptorsTutorialDataset_0004</th>\n",
+       "      <td>3.236332</td>\n",
+       "      <td>2.185263</td>\n",
+       "      <td>-2.113838</td>\n",
+       "      <td>2.178416</td>\n",
+       "      <td>-2.404113</td>\n",
+       "      <td>7.903051</td>\n",
+       "      <td>0.095234</td>\n",
+       "      <td>32.227749</td>\n",
+       "      <td>10.184907</td>\n",
+       "      <td>1.581267</td>\n",
+       "      <td>...</td>\n",
+       "      <td>0.061939</td>\n",
+       "      <td>0.439873</td>\n",
+       "      <td>0.914717</td>\n",
+       "      <td>0.175722</td>\n",
+       "      <td>0.769527</td>\n",
+       "      <td>0.570256</td>\n",
+       "      <td>0.837922</td>\n",
+       "      <td>0.642899</td>\n",
+       "      <td>0.499636</td>\n",
+       "      <td>5.656150</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>5 rows × 516 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                   AvgIpc  BCUT2D_CHGHI  BCUT2D_CHGLO  \\\n",
+       "QSPRID                                                                  \n",
+       "DescriptorsTutorialDataset_0000  3.175462      2.146917     -2.111585   \n",
+       "DescriptorsTutorialDataset_0001  2.962034      2.203517     -2.136048   \n",
+       "DescriptorsTutorialDataset_0002  3.127957      2.188200     -2.067268   \n",
+       "DescriptorsTutorialDataset_0003  3.491801      2.749014     -2.231626   \n",
+       "DescriptorsTutorialDataset_0004  3.236332      2.185263     -2.113838   \n",
+       "\n",
+       "                                 BCUT2D_LOGPHI  BCUT2D_LOGPLOW  BCUT2D_MRHI  \\\n",
+       "QSPRID                                                                        \n",
+       "DescriptorsTutorialDataset_0000       2.224211       -2.211801     5.898030   \n",
+       "DescriptorsTutorialDataset_0001       2.354533       -2.114561     7.208763   \n",
+       "DescriptorsTutorialDataset_0002       2.189363       -2.202950     6.053281   \n",
+       "DescriptorsTutorialDataset_0003       2.674016       -2.410868     6.301607   \n",
+       "DescriptorsTutorialDataset_0004       2.178416       -2.404113     7.903051   \n",
+       "\n",
+       "                                 BCUT2D_MRLOW  BCUT2D_MWHI  BCUT2D_MWLOW  \\\n",
+       "QSPRID                                                                     \n",
+       "DescriptorsTutorialDataset_0000     -0.115978    16.342510     10.325111   \n",
+       "DescriptorsTutorialDataset_0001     -0.384429    32.133541      9.952695   \n",
+       "DescriptorsTutorialDataset_0002      0.102176    16.153774     10.190780   \n",
+       "DescriptorsTutorialDataset_0003     -0.140325    35.495693      9.981499   \n",
+       "DescriptorsTutorialDataset_0004      0.095234    32.227749     10.184907   \n",
+       "\n",
+       "                                 BalabanJ  ...  random_1  random_2  random_3  \\\n",
+       "QSPRID                                     ...                                 \n",
+       "DescriptorsTutorialDataset_0000  1.979450  ...  0.800043  0.936078  0.062755   \n",
+       "DescriptorsTutorialDataset_0001  1.637290  ...  0.116491  0.986175  0.075547   \n",
+       "DescriptorsTutorialDataset_0002  1.748699  ...  0.903855  0.524730  0.189414   \n",
+       "DescriptorsTutorialDataset_0003  1.448422  ...  0.939345  0.165602  0.025083   \n",
+       "DescriptorsTutorialDataset_0004  1.581267  ...  0.061939  0.439873  0.914717   \n",
+       "\n",
+       "                                 random_4  random_5  random_6  random_7  \\\n",
+       "QSPRID                                                                    \n",
+       "DescriptorsTutorialDataset_0000  0.640164  0.496888  0.711522  0.024552   \n",
+       "DescriptorsTutorialDataset_0001  0.499157  0.663333  0.496793  0.773352   \n",
+       "DescriptorsTutorialDataset_0002  0.310671  0.313358  0.317254  0.599103   \n",
+       "DescriptorsTutorialDataset_0003  0.607322  0.767123  0.957342  0.398412   \n",
+       "DescriptorsTutorialDataset_0004  0.175722  0.769527  0.570256  0.837922   \n",
+       "\n",
+       "                                 random_8  random_9  DescriptorsTutorialModel  \n",
+       "QSPRID                                                                         \n",
+       "DescriptorsTutorialDataset_0000  0.342392  0.030565                  8.717900  \n",
+       "DescriptorsTutorialDataset_0001  0.893256  0.202822                  5.564867  \n",
+       "DescriptorsTutorialDataset_0002  0.524731  0.363653                  6.110800  \n",
+       "DescriptorsTutorialDataset_0003  0.933713  0.760190                  5.476770  \n",
+       "DescriptorsTutorialDataset_0004  0.642899  0.499636                  5.656150  \n",
+       "\n",
+       "[5 rows x 516 columns]"
+      ]
+     },
+     "execution_count": 13,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "# Now we can use the model as a descriptor set\n",
+    "from qsprpred.data.descriptors.sets import PredictorDesc\n",
+    "\n",
+    "predictor_desc = PredictorDesc(model)\n",
+    "\n",
+    "dataset.addDescriptors([predictor_desc])\n",
+    "\n",
+    "dataset.getDescriptors().head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Custom descriptors\n",
+    "\n",
+    "To implement your own descriptors, see the [custom descriptors](../../advanced/data/custom_descriptors.ipynb) tutorial."
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/data/searching_filtering_plotting.ipynb b/tutorials/basics/data/searching_filtering_plotting.ipynb
new file mode 100644
index 00000000..f2128983
--- /dev/null
+++ b/tutorials/basics/data/searching_filtering_plotting.ipynb
@@ -0,0 +1,2579 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "d70f1f13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# suppress only UserWarning\n",
+    "import warnings\n",
+    "\n",
+    "warnings.filterwarnings(\"ignore\", category=UserWarning)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51cd5099731cd0ee",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "# Searching, Filtering and Plotting Data Sets"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "id": "61a7de9d5140ccae",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:43.298254170Z",
+     "start_time": "2024-01-18T09:02:41.399890990Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/tmp/ipykernel_308821/3967894652.py:1: DeprecationWarning: \n",
+      "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n",
+      "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n",
+      "but was not found to be installed on your system.\n",
+      "If this would cause problems for you,\n",
+      "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n",
+      "        \n",
+      "  import pandas as pd\n",
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
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+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>QuickStartDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>QuickStartDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>QuickStartDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>QuickStartDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>QuickStartDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>QuickStartDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>QuickStartDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>QuickStartDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                   SMILES  \\\n",
+       "QSPRID                                                                      \n",
+       "QuickStartDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "QuickStartDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "QuickStartDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "QuickStartDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "QuickStartDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                   ...   \n",
+       "QuickStartDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "QuickStartDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "QuickStartDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "QuickStartDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "QuickStartDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                        pchembl_value_Mean    Year                  QSPRID  \\\n",
+       "QSPRID                                                                       \n",
+       "QuickStartDataset_0000                8.68  2008.0  QuickStartDataset_0000   \n",
+       "QuickStartDataset_0001                4.82  2010.0  QuickStartDataset_0001   \n",
+       "QuickStartDataset_0002                5.65  2009.0  QuickStartDataset_0002   \n",
+       "QuickStartDataset_0003                5.45  2009.0  QuickStartDataset_0003   \n",
+       "QuickStartDataset_0004                5.20  2019.0  QuickStartDataset_0004   \n",
+       "...                                    ...     ...                     ...   \n",
+       "QuickStartDataset_4077                7.09  2018.0  QuickStartDataset_4077   \n",
+       "QuickStartDataset_4078                8.22  2008.0  QuickStartDataset_4078   \n",
+       "QuickStartDataset_4079                4.89  2010.0  QuickStartDataset_4079   \n",
+       "QuickStartDataset_4080                6.51  2013.0  QuickStartDataset_4080   \n",
+       "QuickStartDataset_4081                7.35  2014.0  QuickStartDataset_4081   \n",
+       "\n",
+       "                        pchembl_value_Mean_original  \n",
+       "QSPRID                                               \n",
+       "QuickStartDataset_0000                         8.68  \n",
+       "QuickStartDataset_0001                         4.82  \n",
+       "QuickStartDataset_0002                         5.65  \n",
+       "QuickStartDataset_0003                         5.45  \n",
+       "QuickStartDataset_0004                         5.20  \n",
+       "...                                             ...  \n",
+       "QuickStartDataset_4077                         7.09  \n",
+       "QuickStartDataset_4078                         8.22  \n",
+       "QuickStartDataset_4079                         4.89  \n",
+       "QuickStartDataset_4080                         6.51  \n",
+       "QuickStartDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "df = pd.read_csv(\"../../tutorial_data/A2A_LIGANDS.tsv\", sep=\"\\t\")\n",
+    "dataset = QSPRDataset(\n",
+    "    df=df,\n",
+    "    store_dir=\"tutorial_output/data\",\n",
+    "    name=\"QuickStartDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "id": "19a3c18545a1b54a",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:44.186795991Z",
+     "start_time": "2024-01-18T09:02:43.241416160Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
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+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
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+       "      <th>QSPRID</th>\n",
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+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0024</th>\n",
+       "      <td>CC(O)CNc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.32</td>\n",
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+       "      <td>5.51</td>\n",
+       "      <td>2008.0</td>\n",
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+       "      <td>5.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0623</th>\n",
+       "      <td>Nc1nc2c(cnn2CCc2ccc(-c3cnccn3)cc2)c2nc(-c3ccco...</td>\n",
+       "      <td>9.05</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_0623</td>\n",
+       "      <td>9.05</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0758</th>\n",
+       "      <td>CCN(CC)c1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.40</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_0758</td>\n",
+       "      <td>6.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0996</th>\n",
+       "      <td>O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.20</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_0996</td>\n",
+       "      <td>7.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_1304</th>\n",
+       "      <td>CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1</td>\n",
+       "      <td>8.96</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_1304</td>\n",
+       "      <td>8.96</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_1616</th>\n",
+       "      <td>COc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.40</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_1616</td>\n",
+       "      <td>6.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2257</th>\n",
+       "      <td>c1ccc(Nc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1</td>\n",
+       "      <td>7.19</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2257</td>\n",
+       "      <td>7.19</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2290</th>\n",
+       "      <td>OCCN(CCO)c1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.96</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2290</td>\n",
+       "      <td>6.96</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2383</th>\n",
+       "      <td>c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1</td>\n",
+       "      <td>6.31</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2383</td>\n",
+       "      <td>6.31</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2769</th>\n",
+       "      <td>c1ccc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1</td>\n",
+       "      <td>6.52</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2769</td>\n",
+       "      <td>6.52</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2976</th>\n",
+       "      <td>c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1</td>\n",
+       "      <td>7.29</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2976</td>\n",
+       "      <td>7.29</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_2980</th>\n",
+       "      <td>COCCCNc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.43</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_2980</td>\n",
+       "      <td>6.43</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3002</th>\n",
+       "      <td>c1coc(-c2nn3c(n2)c(OCc2cocc2)nc2c3cccc2)c1</td>\n",
+       "      <td>6.24</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3002</td>\n",
+       "      <td>6.24</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3045</th>\n",
+       "      <td>OCCNc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.20</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3045</td>\n",
+       "      <td>7.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3050</th>\n",
+       "      <td>O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1</td>\n",
+       "      <td>6.40</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3050</td>\n",
+       "      <td>6.40</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3158</th>\n",
+       "      <td>CN(C)c1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3158</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3278</th>\n",
+       "      <td>CC(=O)Nc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.70</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3278</td>\n",
+       "      <td>6.70</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3728</th>\n",
+       "      <td>Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12</td>\n",
+       "      <td>9.00</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3728</td>\n",
+       "      <td>9.00</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3739</th>\n",
+       "      <td>Nc1nc2c(cccc2)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.95</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3739</td>\n",
+       "      <td>7.95</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_3821</th>\n",
+       "      <td>O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>6.80</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_3821</td>\n",
+       "      <td>6.80</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                   SMILES  \\\n",
+       "QSPRID                                                                      \n",
+       "QuickStartDataset_0024             CC(O)CNc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_0275               COCCNc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_0623  Nc1nc2c(cnn2CCc2ccc(-c3cnccn3)cc2)c2nc(-c3ccco...   \n",
+       "QuickStartDataset_0758             CCN(CC)c1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_0996      O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_1304      CC(O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)Cc1ccncc1   \n",
+       "QuickStartDataset_1616                  COc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_2257           c1ccc(Nc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1   \n",
+       "QuickStartDataset_2290           OCCN(CCO)c1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_2383           c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1   \n",
+       "QuickStartDataset_2769          c1ccc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1   \n",
+       "QuickStartDataset_2976         c1ccc(CCNc2nc3ccccc3n3nc(-c4ccco4)nc23)cc1   \n",
+       "QuickStartDataset_2980              COCCCNc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3002         c1coc(-c2nn3c(n2)c(OCc2cocc2)nc2c3cccc2)c1   \n",
+       "QuickStartDataset_3045                OCCNc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3050         O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1   \n",
+       "QuickStartDataset_3158               CN(C)c1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3278             CC(=O)Nc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3728      Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3739                   Nc1nc2c(cccc2)n2nc(-c3ccco3)nc12   \n",
+       "QuickStartDataset_3821       O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                        pchembl_value_Mean    Year                  QSPRID  \\\n",
+       "QSPRID                                                                       \n",
+       "QuickStartDataset_0024                7.32  2008.0  QuickStartDataset_0024   \n",
+       "QuickStartDataset_0275                5.51  2008.0  QuickStartDataset_0275   \n",
+       "QuickStartDataset_0623                9.05  2008.0  QuickStartDataset_0623   \n",
+       "QuickStartDataset_0758                6.40  2008.0  QuickStartDataset_0758   \n",
+       "QuickStartDataset_0996                7.20  2008.0  QuickStartDataset_0996   \n",
+       "QuickStartDataset_1304                8.96  2008.0  QuickStartDataset_1304   \n",
+       "QuickStartDataset_1616                6.40  2008.0  QuickStartDataset_1616   \n",
+       "QuickStartDataset_2257                7.19  2008.0  QuickStartDataset_2257   \n",
+       "QuickStartDataset_2290                6.96  2008.0  QuickStartDataset_2290   \n",
+       "QuickStartDataset_2383                6.31  2008.0  QuickStartDataset_2383   \n",
+       "QuickStartDataset_2769                6.52  2008.0  QuickStartDataset_2769   \n",
+       "QuickStartDataset_2976                7.29  2008.0  QuickStartDataset_2976   \n",
+       "QuickStartDataset_2980                6.43  2008.0  QuickStartDataset_2980   \n",
+       "QuickStartDataset_3002                6.24  2008.0  QuickStartDataset_3002   \n",
+       "QuickStartDataset_3045                7.20  2008.0  QuickStartDataset_3045   \n",
+       "QuickStartDataset_3050                6.40  2008.0  QuickStartDataset_3050   \n",
+       "QuickStartDataset_3158                6.51  2008.0  QuickStartDataset_3158   \n",
+       "QuickStartDataset_3278                6.70  2008.0  QuickStartDataset_3278   \n",
+       "QuickStartDataset_3728                9.00  2008.0  QuickStartDataset_3728   \n",
+       "QuickStartDataset_3739                7.95  2008.0  QuickStartDataset_3739   \n",
+       "QuickStartDataset_3821                6.80  2008.0  QuickStartDataset_3821   \n",
+       "\n",
+       "                        pchembl_value_Mean_original  \n",
+       "QSPRID                                               \n",
+       "QuickStartDataset_0024                         7.32  \n",
+       "QuickStartDataset_0275                         5.51  \n",
+       "QuickStartDataset_0623                         9.05  \n",
+       "QuickStartDataset_0758                         6.40  \n",
+       "QuickStartDataset_0996                         7.20  \n",
+       "QuickStartDataset_1304                         8.96  \n",
+       "QuickStartDataset_1616                         6.40  \n",
+       "QuickStartDataset_2257                         7.19  \n",
+       "QuickStartDataset_2290                         6.96  \n",
+       "QuickStartDataset_2383                         6.31  \n",
+       "QuickStartDataset_2769                         6.52  \n",
+       "QuickStartDataset_2976                         7.29  \n",
+       "QuickStartDataset_2980                         6.43  \n",
+       "QuickStartDataset_3002                         6.24  \n",
+       "QuickStartDataset_3045                         7.20  \n",
+       "QuickStartDataset_3050                         6.40  \n",
+       "QuickStartDataset_3158                         6.51  \n",
+       "QuickStartDataset_3278                         6.70  \n",
+       "QuickStartDataset_3728                         9.00  \n",
+       "QuickStartDataset_3739                         7.95  \n",
+       "QuickStartDataset_3821                         6.80  "
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "query_result = dataset.searchWithSMARTS(\n",
+    "    [\"n1ncnc1\", \"[ar]1[ar][n][ar][ar][n]1\", \"c1cocc1\"],\n",
+    "    operator=\"and\")\n",
+    "query_result.getDF()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "id": "f2b3a42b4f8a8907",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:44.277186208Z",
+     "start_time": "2024-01-18T09:02:44.187376195Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<IPython.core.display.Image object>"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.grid_visualizers import table_to_grid\n",
+    "\n",
+    "table_to_grid(query_result)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "ae5c6c2c474e202",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:46.480004376Z",
+     "start_time": "2024-01-18T09:02:44.264285299Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<IPython.core.display.Image object>"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "query_result = dataset.searchWithSMARTS(\n",
+    "    [\"n1ncnc1\", \"[ar]1[ar][n][ar][ar][n]1\", \"c1cocc1\"],\n",
+    "    operator=\"or\")\n",
+    "table_to_grid(query_result)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "a00c94ad25a6880f",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:48.599381789Z",
+     "start_time": "2024-01-18T09:02:46.479641760Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<IPython.core.display.Image object>"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "query_result = dataset.searchWithSMARTS(\n",
+    "    [\"n1ncnc1\", \"[ar]1[ar][n][ar][ar][n]1\"],\n",
+    "    operator=\"or\").searchWithSMARTS([\"c1cocc1\"])\n",
+    "table_to_grid(query_result)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "f66417a10c944f0e",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:50.904628977Z",
+     "start_time": "2024-01-18T09:02:48.599031699Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [],
+   "source": [
+    "!pip install mols2grid"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "id": "fe30daaaa4724f9c",
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-18T09:02:51.656558416Z",
+     "start_time": "2024-01-18T09:02:50.927915841Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "data": {
+      "application/vnd.jupyter.widget-view+json": {
+       "model_id": "0d3fc2eef0fa405ba8ba898858eb7542",
+       "version_major": 2,
+       "version_minor": 0
+      },
+      "text/plain": [
+       "MolGridWidget()"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/html": [
+       "<style>\n",
+       "    /* Some CSS to integrate with Jupyter more cleanly */\n",
+       "    div.output_subarea {\n",
+       "        /* Undo an unfortunate max-width parameter\n",
+       "        that causes the output area to be too narrow\n",
+       "        on smaller screens. */\n",
+       "        max-width: none;\n",
+       "\n",
+       "        /* Align the table with the content */\n",
+       "        padding: 0;\n",
+       "\n",
+       "        /* Let it breathe */\n",
+       "        margin-top: 20px;\n",
+       "    }\n",
+       "</style>\n",
+       "\n",
+       "<iframe class=\"mols2grid-iframe\" frameborder=\"0\" width=\"100%\"\n",
+       "    \n",
+       "    \n",
+       "    allow=\"clipboard-write\"\n",
+       "    \n",
+       "    \n",
+       "    sandbox=\"allow-scripts allow-same-origin allow-downloads allow-popups allow-modals\"\n",
+       "    \n",
+       "    srcdoc=\"\n",
+       "\n",
+       "\n",
+       "\n",
+       "&lt;html lang=&quot;en&quot;&gt;\n",
+       "    &lt;head&gt;\n",
+       "        &lt;meta charset=&quot;UTF-8&quot; /&gt;\n",
+       "        &lt;meta http-equiv=&quot;X-UA-Compatible&quot; content=&quot;IE=edge&quot; /&gt;\n",
+       "        &lt;meta name=&quot;viewport&quot; content=&quot;width=device-width, initial-scale=1.0&quot; /&gt;\n",
+       "        &lt;title&gt;Document!&lt;/title&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;style&gt;\n",
+       "            /**\n",
+       " * General styling\n",
+       " */\n",
+       "body {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "}\n",
+       "h1,h2,h3,h4 {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "h1 {\n",
+       "    font-size: 26px;\n",
+       "}\n",
+       "h2 {\n",
+       "    font-size: 20px;\n",
+       "    font-weight: 400;\n",
+       "}\n",
+       "h3 {\n",
+       "\tfont-size: 16px;\n",
+       "}\n",
+       "p {\n",
+       "    margin: 0 0 10px 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/* Remove body margin inside iframe */\n",
+       "body.m2g-inside-iframe {\n",
+       "    margin: 0;\n",
+       "}\n",
+       "\n",
+       "/* In-cell text */\n",
+       "#mols2grid .data:not(.data-img) {\n",
+       "    height: 16px;\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "/* Text truncation */\n",
+       "#mols2grid .data {\n",
+       "    /* Break text into multiple lines (default for static)... */\n",
+       "    word-wrap: normal;\n",
+       "\n",
+       "    /* ...or truncate it (default for interactive). */\n",
+       "    overflow: hidden;\n",
+       "    white-space: nowrap;\n",
+       "    text-overflow: ellipsis;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Popover\n",
+       " * - - -\n",
+       " * Note: this is a bootstrap variable which is not namespaced.\n",
+       " * To avoid any contamination, we only style it when the\n",
+       " * x-placement parameter is set.\n",
+       " */\n",
+       ".popover[x-placement] {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    background: white;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    font-size: 12px;\n",
+       "    padding: 10px;\n",
+       "    border-radius: 5px;\n",
+       "    box-shadow: 0 0 20px rgba(0,0,0,.15);\n",
+       "    user-select: none;\n",
+       "}\n",
+       ".popover[x-placement] h3 {\n",
+       "    margin: 0;\n",
+       "}\n",
+       ".popover[x-placement] .arrow {\n",
+       "    width: 10px;\n",
+       "    height: 10px;\n",
+       "    background: #fff;\n",
+       "    border: solid 1px rgba(0,0,0,.2);\n",
+       "    box-sizing: border-box;\n",
+       "    position: absolute;\n",
+       "    transform-origin: 5px 5px;\n",
+       "    clip-path: polygon(0 0, 100% 0, 100% 100%);\n",
+       "}\n",
+       ".popover[x-placement=&#x27;left&#x27;] .arrow {\n",
+       "    transform: rotate(45deg);\n",
+       "    top: 50%;\n",
+       "    right: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;right&#x27;] .arrow {\n",
+       "    transform: rotate(-135deg);\n",
+       "    top: 50%;\n",
+       "    left: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;top&#x27;] .arrow {\n",
+       "    transform: rotate(135deg);\n",
+       "    left: 50%;\n",
+       "    bottom: -5px;\n",
+       "}\n",
+       ".popover[x-placement=&#x27;bottom&#x27;] .arrow {\n",
+       "    transform: rotate(-45deg);\n",
+       "    left: 50%;\n",
+       "    top: -5px;\n",
+       "}\n",
+       "            body {\n",
+       "    /* Colors */\n",
+       "    --m2g-black: rgba(0,0,0,.75);\n",
+       "    --m2g-black-soft: rgba(0,0,0,.35);\n",
+       "    --m2g-black-10: rgba(0,0,0,.1);\n",
+       "    --m2g-bg: #f6f6f6;\n",
+       "    --m2g-border: solid 1px rgba(0,0,0,0.2);\n",
+       "    --m2g-hl: #555; /* Highlight color */\n",
+       "    --m2g-hl-shadow: inset 0 0 0 1px var(--m2g-hl); /* Inset 1px shadow to make border thicker */\n",
+       "    --m2g-blue: #0f62fe;\n",
+       "    --m2g-blue-soft: rgba(15,98,254,.2);\n",
+       "\n",
+       "    /* Icons */\n",
+       "    --m2g-icn-triangle: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;rgba(0,0,0,.75)&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-triangle-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;white&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    --m2g-icn-cb-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;16&quot; height=&quot;16&quot; viewBox=&quot;0 0 16 16&quot; fill=&quot;none&quot; stroke=&quot;white&quot; stroke-width=&quot;2.5&quot; stroke-linecap=&quot;round&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M4 7.65686L7 10.6569L12.6569 5.00001&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
+       "    \n",
+       "    /* Border radius */\n",
+       "    --m2g-br: 3px;\n",
+       "    --m2g-br-l: var(--m2g-br) 0 0 var(--m2g-br); /* Left-only */\n",
+       "    --m2g-br-r: 0 var(--m2g-br) var(--m2g-br) 0; /* Right-only */\n",
+       "\n",
+       "    /* Text */\n",
+       "    --m2g-fs: 14px; /* UI font-size */\n",
+       "    --m2g-fs-cell: 12px; /* Cell font-size */\n",
+       "\n",
+       "    /* Transition speeds */\n",
+       "    --m2g-trans: 150ms;\n",
+       "\n",
+       "    /* Layout */\n",
+       "    --m2g-h: 40px; /* Form element height */\n",
+       "}\n",
+       "\n",
+       "/* Styling */\n",
+       "#mols2grid {\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    font-size: var(--m2g-fs);\n",
+       "}\n",
+       "\n",
+       "/* Fixes */\n",
+       "#mols2grid *,\n",
+       "#mols2grid *::before,\n",
+       "#mols2grid *::after {\n",
+       "    box-sizing: border-box;\n",
+       "    outline: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-functions {\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row {\n",
+       "    flex: 0;\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Individual elements don&#x27;t scale */\n",
+       "#mols2grid .m2g-functions .m2g-row &gt; * {\n",
+       "    flex: 0 0;\n",
+       "    margin-right: 10px;\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-row:last-child &gt; *:last-child {\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Row 1: pagination + gap + sort */\n",
+       "#mols2grid .m2g-functions .m2g-row:first-child {\n",
+       "    flex: 1; /* Scale */\n",
+       "}\n",
+       "#mols2grid .m2g-functions .m2g-gap {\n",
+       "    /* The gap in between will scale, so the pagination\n",
+       "    stays on the left, while the rest moves to the right */\n",
+       "    flex: 1;\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Pagination\n",
+       " */\n",
+       "\n",
+       "#mols2grid ul.m2g-pagination {\n",
+       "    /* Unset defaults */\n",
+       "    list-style-type: none;\n",
+       "    margin-block-start: 0;\n",
+       "    margin-block-end: 0;\n",
+       "    margin-inline-start: 0;\n",
+       "    margin-inline-end: 0;\n",
+       "    padding-inline-start: 0;\n",
+       "\n",
+       "    /* Custom */\n",
+       "    display: flex;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li {\n",
+       "    background: var(--m2g-bg) ;\n",
+       "    border: var(--m2g-border);\n",
+       "    height: var(--m2g-h);\n",
+       "    min-width: calc(var(--m2g-h) + 1px);\n",
+       "    position: relative;\n",
+       "    user-select: none;\n",
+       "    \n",
+       "    /* Compensate for double border */\n",
+       "    margin-right: -1px;\n",
+       "    \n",
+       "    /* Center text */\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    min-width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li a {\n",
+       "    text-decoration: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    padding: 0 10px;\n",
+       "    width: 100%;\n",
+       "    height: var(--m2g-h);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    text-align: center;\n",
+       "    /* Compensate for border so there&#x27;s no gap between click areas  */\n",
+       "    margin: 0 -1px;\n",
+       "}\n",
+       "\n",
+       "/* Corner shape */\n",
+       "#mols2grid ul.m2g-pagination li:first-child {\n",
+       "    border-radius: var(--m2g-br-l);\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li:last-child {\n",
+       "    border-radius: var(--m2g-br-r);\n",
+       "    margin-right: 0;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid ul.m2g-pagination li:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "\n",
+       "/* Active state */\n",
+       "#mols2grid ul.m2g-pagination li.active {\n",
+       "    background: var(--m2g-hl);\n",
+       "    z-index: 1;\n",
+       "}\n",
+       "#mols2grid ul.m2g-pagination li.active a {\n",
+       "    cursor: default;\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "/* Disabled sate */\n",
+       "#mols2grid ul.m2g-pagination li.disabled a {\n",
+       "    cursor: default;\n",
+       "    color: rgba(0,0,0,.25);\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Dropdowns\n",
+       " */\n",
+       "\n",
+       "#mols2grid ::placeholder {\n",
+       "    color: var(--m2g-black-soft);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown {\n",
+       "    height: var(--m2g-h);\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    position: relative;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown select {\n",
+       "    -webkit-appearance: none;\n",
+       "    -moz-appearance: none;\n",
+       "    -ms-appearance: none;\n",
+       "    appearance: none;\n",
+       "    background: transparent;\n",
+       "    border: none;\n",
+       "    height: 100%;\n",
+       "    padding: 0 13px;\n",
+       "    min-width: 0;\n",
+       "    max-width: 250px;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "/* Icon */\n",
+       "#mols2grid .m2g-dropdown .m2g-icon {\n",
+       "    width: 30px;\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    pointer-events: none;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg:not(.m2g-stroke) {\n",
+       "    fill: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown .m2g-icon svg.m2g-stroke {\n",
+       "    stroke: var(--m2g-black);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "/* We hide the native select element because\n",
+       " * it is limited in styling. Instead, we display\n",
+       " * the selected value in a div. */\n",
+       "#mols2grid .m2g-dropdown .m2g-display {\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    right: 0;\n",
+       "    top: 0;\n",
+       "    bottom: 0;\n",
+       "    pointer-events: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    line-height: var(--m2g-h);\n",
+       "    padding: 0 25px 0 13px;\n",
+       "\n",
+       "    /* Truncate dropdown text */\n",
+       "    white-space: nowrap;\n",
+       "\ttext-overflow: ellipsis;\n",
+       "\toverflow: hidden;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Action dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-actions {\n",
+       "    width: var(--m2g-h);\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions select {\n",
+       "    opacity: 0;\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-actions .m2g-icon {\n",
+       "    width: var(--m2g-h);\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Sort dropdown\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-dropdown.m2g-sort {\n",
+       "    flex: 0 0 200px;\n",
+       "    width: 200px; /* Needed in addition to flex-basis for small sizes! */\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    background: var(--m2g-bg);\n",
+       "    display: flex;\n",
+       "}\n",
+       "\n",
+       "/* Dropdown */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort select {\n",
+       "    flex: 1 1;\n",
+       "    opacity: 0;\n",
+       "    /* padding-right: 70px; Space for &quot;Sort:&quot; */\n",
+       "    box-sizing: border-box;\n",
+       "}\n",
+       "\n",
+       "/* Sort order */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-order {\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    flex: 0 0 30px;\n",
+       "    height: 100%;\n",
+       "    border-left: var(--m2g-border);\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort.m2d-arrow-desc .m2g-order {\n",
+       "    transform: rotate(180deg);\n",
+       "    border-left: none;\n",
+       "    border-right: var(--m2g-border);\n",
+       "}\n",
+       "\n",
+       "/* Display */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display {\n",
+       "    right: 31px;\n",
+       "    padding-right: 13px;\n",
+       "}\n",
+       "#mols2grid .m2g-dropdown.m2g-sort .m2g-display::before {\n",
+       "    content: &#x27;Sort: &#x27;;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-display,\n",
+       "#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-order {\n",
+       "    background-color: transparent;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/*\n",
+       " * Search bar\n",
+       " */\n",
+       "\n",
+       "#mols2grid .m2g-search-wrap {\n",
+       "    height: var(--m2g-h);\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: flex-end;\n",
+       "    background: var(--m2g-bg);\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: var(--m2g-br);\n",
+       "}\n",
+       "#mols2grid .m2g-searchbar {\n",
+       "    width: 170px;\n",
+       "    height: var(--m2g-h);\n",
+       "    padding: 0 13px;\n",
+       "    border: none;\n",
+       "    color: var(--m2g-black);\n",
+       "    cursor: text;\n",
+       "    background: transparent;\n",
+       "}\n",
+       "\n",
+       "/* Focus state */\n",
+       "#mols2grid .m2g-search-wrap:focus-within {\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Option buttons */\n",
+       "#mols2grid .m2g-search-options {\n",
+       "    font-size: 12px;\n",
+       "    display: flex;\n",
+       "    height: calc(1.5em + .75rem);\n",
+       "    line-height: calc(1.5em + .75rem);\n",
+       "    margin-right: 5px;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    color: var(--m2g-black);\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option {\n",
+       "    background: var(--m2g-black-10);\n",
+       "    padding: 0 13px;\n",
+       "    cursor: default;\n",
+       "    user-select: none;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:not(.sel) {\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:first-child {\n",
+       "    border-radius: 2px 0 0 2px;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option:last-child {\n",
+       "    border-radius: 0 2px 2px 0;\n",
+       "}\n",
+       "#mols2grid .m2g-search-options .m2g-option.sel {\n",
+       "    background: var(--m2g-hl);\n",
+       "    color: #fff;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#mols2grid .m2g-list {\n",
+       "    display: flex;\n",
+       "    flex-wrap: wrap;\n",
+       "    align-items: flex-start;\n",
+       "    justify-content: flex-start;\n",
+       "    padding: 1px; /* Compensate for negative padding on cell */\n",
+       "    user-select: none;\n",
+       "    margin: 0px;\n",
+       "    margin-top: 20px;\n",
+       "    font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "/* Cell */\n",
+       "#mols2grid .m2g-cell {\n",
+       "    border: 1px solid #cccccc;\n",
+       "    text-align: center;\n",
+       "    vertical-align: top;\n",
+       "    font-family: var(--font-family);\n",
+       "    padding: 10px;\n",
+       "    padding-top: max(10px, 20px);\n",
+       "    margin: -1px -1px 0 0;\n",
+       "    flex: 1 0 130px;\n",
+       "    position: relative;\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    cursor: pointer;\n",
+       "    color: var(--m2g-black);\n",
+       "    overflow: hidden;\n",
+       "    box-sizing: border-box;\n",
+       "    background-color: white;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:focus {\n",
+       "    z-index: 1;\n",
+       "    border-color: var(--m2g-hl);\n",
+       "    box-shadow: var(--m2g-hl-shadow);\n",
+       "}\n",
+       "\n",
+       "/* Phantom cells to maintain grid structure with less results */\n",
+       "#mols2grid .m2g-cell.m2g-phantom {\n",
+       "    border: none;\n",
+       "    pointer-events: none;\n",
+       "    height: 0;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "\n",
+       "/* Checkbox &amp; ID */\n",
+       "#mols2grid .m2g-cb-wrap {\n",
+       "    position: absolute;\n",
+       "    top: 3px;\n",
+       "    left: 3px;\n",
+       "    display: flex;\n",
+       "    border-radius: 2px;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    padding: 3px;\n",
+       "    padding-right: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] {\n",
+       "    display: none;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .m2g-cb {\n",
+       "\twidth: 16px;\n",
+       "\theight: 16px;\n",
+       "\tbox-sizing: border-box;\n",
+       "\tbackground: #fff;\n",
+       "\tborder: var(--m2g-border);\n",
+       "\tborder-radius: 2px;\n",
+       "    margin-right: 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox]:checked + .m2g-cb {\n",
+       "    border: none;\n",
+       "    background-color: var(--m2g-blue);\n",
+       "    background-image: var(--m2g-icn-cb-white);\n",
+       "}\n",
+       "#mols2grid .m2g-tooltip {\n",
+       "    /* This is a div spanning full cell size where the\n",
+       "    tooltip is rendered around, because you can&#x27;t attach\n",
+       "    it to the parent due to list.js limitation. */\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    position: absolute;\n",
+       "    left: 0;\n",
+       "    top: 0;\n",
+       "    z-index: -1;\n",
+       "    pointer-events: none;\n",
+       "    opacity: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell:has(:checked) {\n",
+       "    background: #ffd !important; /* Overrides user-set background color */\n",
+       "}\n",
+       "#mols2grid .data-mols2grid-id-display {\n",
+       "    font-size: var(--m2g-fs-cell);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap input[type=checkbox] + .data-mols2grid-id-display {\n",
+       "    padding: 0 5px 0 5px;\n",
+       "}\n",
+       "#mols2grid .m2g-cb-wrap .data-name-display {\n",
+       "    font-size: var(--m2g-fs);\n",
+       "    line-height: 16px;\n",
+       "}\n",
+       "\n",
+       "/* Info + callback button wrap (28px high) */\n",
+       "#mols2grid .m2g-cell-actions {\n",
+       "    position: absolute;\n",
+       "    top: 0;\n",
+       "    right: 0;\n",
+       "    display: flex;\n",
+       "    flex-direction: row;\n",
+       "    font-size: 0;\n",
+       "    line-height: 0;\n",
+       "    \n",
+       "    /* background: yellow; */\n",
+       "}\n",
+       "\n",
+       "/* Info button */\n",
+       "#mols2grid .m2g-info {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    border-radius: 2px;\n",
+       "    line-height: 28px;\n",
+       "    font-size: min(14px, 12px);\n",
+       "    font-family: Georgia, serif;\n",
+       "    font-style: italic;\n",
+       "    padding: 0;\n",
+       "    text-align: center;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info {\n",
+       "    color: #fff;\n",
+       "}\n",
+       "#mols2grid .m2g-keep-tooltip .m2g-info::before {\n",
+       "    content: &#x27;i&#x27;;\n",
+       "    width: 18px;\n",
+       "    height: 18px;\n",
+       "    line-height: 18px;\n",
+       "    background: var(--m2g-hl);\n",
+       "    position: absolute;\n",
+       "    left: 5px;\n",
+       "    top: 5px;\n",
+       "    border-radius: 9px;\n",
+       "}\n",
+       "\n",
+       "/* Callback button */\n",
+       "#mols2grid .m2g-callback {\n",
+       "    width: 28px;\n",
+       "    height: 28px;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "#mols2grid .m2g-callback::after {\n",
+       "    content: &#x27;&#x27;;\n",
+       "    display: block;\n",
+       "    width: 16px;\n",
+       "    height: 16px;\n",
+       "    margin: 6px;\n",
+       "    border: var(--m2g-border);\n",
+       "    border-radius: 2px;\n",
+       "    background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
+       "    transform: rotate(-90deg);\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#mols2grid .m2g-cell .data-img {\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell img,\n",
+       "#mols2grid .m2g-cell svg {\n",
+       "    max-width: 100%;\n",
+       "    height: auto;\n",
+       "    padding: 0;\n",
+       "}\n",
+       "#mols2grid .m2g-cell svg &gt; rect:first-child {\n",
+       "    /* Remove the SVG background */\n",
+       "    fill: transparent !important;\n",
+       "}\n",
+       "\n",
+       "/* Text below image */\n",
+       ".m2g-copy-blink {\n",
+       "    animation: m2g-blink var(--m2g-trans) 3;\n",
+       "}\n",
+       "@keyframes m2g-blink {\n",
+       "    0% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    49% {\n",
+       "        opacity: 1;\n",
+       "    }\n",
+       "    50% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "    100% {\n",
+       "        opacity: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* Copyable text */\n",
+       ".copy-me {\n",
+       "    position: relative;\n",
+       "    cursor: pointer;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Modal popup\n",
+       " * - - -\n",
+       " * Triggered by make_popup_callback()\n",
+       " * See https://mols2grid.readthedocs.io/en/latest/notebooks/callbacks.html#Display-a-popup-containing-descriptors\n",
+       " */\n",
+       "\n",
+       "/* Container */\n",
+       "#m2g-modal-container {\n",
+       "    display: flex;\n",
+       "    align-items: center;\n",
+       "    justify-content: center;\n",
+       "    background: var(--m2g-black-10);\n",
+       "    position: fixed;\n",
+       "    top: 0;\n",
+       "    left: 0;\n",
+       "    z-index: 1;\n",
+       "    width: 100%;\n",
+       "    height: 100%;\n",
+       "    \n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transition: opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "\n",
+       "/* Modal */\n",
+       "#m2g-modal {\n",
+       "    background: #fff;\n",
+       "    border-radius: var(--m2g-br);\n",
+       "    box-shadow: 0 0 30px var(--m2g-black-10);\n",
+       "    padding: 20px;\n",
+       "    position: relative;\n",
+       "    max-width: calc(100% - 80px);\n",
+       "    max-height: calc(100% - 80px);\n",
+       "    display: flex;\n",
+       "    flex-direction: column;\n",
+       "    min-width: 26px;\n",
+       "\n",
+       "    /* Transition */\n",
+       "    opacity: 0;\n",
+       "    transform: translate(0, 5px);\n",
+       "    transition: transform var(--m2g-trans) ease-in-out, opacity var(--m2g-trans) linear;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header {\n",
+       "    flex: 0 0 26px;\n",
+       "    margin-bottom: 10px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 {\n",
+       "    margin-bottom: 0;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-header h2 + p {\n",
+       "    font-size: 15px;\n",
+       "}\n",
+       "#m2g-modal .m2g-modal-body {\n",
+       "    flex: 1;\n",
+       "    position: relative;\n",
+       "}\n",
+       "\n",
+       "/* Transition */\n",
+       "#m2g-modal-container.show {\n",
+       "    opacity: 1;\n",
+       "}\n",
+       "#m2g-modal-container.show #m2g-modal {\n",
+       "    opacity: 1;\n",
+       "    transform: translate(0, 0);\n",
+       "}\n",
+       "\n",
+       "/* Header + close btn */\n",
+       "#m2g-modal h2 {\n",
+       "    line-height: 26px;\n",
+       "    padding-right: 40px;\n",
+       "    text-transform: capitalize;\n",
+       "}\n",
+       "#m2g-modal h3 {\n",
+       "    \n",
+       "}\n",
+       "#m2g-modal button.close {\n",
+       "    background: transparent;\n",
+       "    padding: 0;\n",
+       "    color: var(--m2g-black);\n",
+       "    font-size: 1.5rem;\n",
+       "    width: 40px;\n",
+       "    height: 40px;\n",
+       "    position: absolute;\n",
+       "    top: 13px;\n",
+       "    right: 13px;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "/* Image */\n",
+       "#m2g-modal .svg-wrap svg {\n",
+       "    max-width: 100%;\n",
+       "    margin-bottom: 20px;\n",
+       "}\n",
+       "\n",
+       "/* Separator */\n",
+       "hr {\n",
+       "    width: 100%;\n",
+       "    height: 1px;\n",
+       "    background: #ddd;\n",
+       "    margin: 15px 0;\n",
+       "    border: none;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Hover states\n",
+       " */\n",
+       "@media (hover:hover) {\n",
+       "    /* Pagination */\n",
+       "    #mols2grid ul.m2g-pagination li:not(.active):not(.disabled):hover {\n",
+       "        background: #f0f0f0;\n",
+       "        z-index: 1;\n",
+       "    }\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        /* Keeping the hover border consiistent */\n",
+       "        margin-left: 1px;\n",
+       "        border-left: none;\n",
+       "        min-width: 40px;\n",
+       "    }\n",
+       "\n",
+       "    /* Dropdowns &amp; search */\n",
+       "    #mols2grid .m2g-dropdown:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover,\n",
+       "    #mols2grid .m2g-sort:not(:focus-within) .m2g-order:hover {\n",
+       "        background-color: #f0f0f0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-wrap:not(:focus-within):hover {\n",
+       "        background: #fff;\n",
+       "        border-color: rgba(0,0,0,.3);\n",
+       "    }\n",
+       "    /* Hocus pocus to have separate hover states for dropdown and arrow */\n",
+       "    #mols2grid .m2g-dropdown.m2g-sort:not(:focus-within):hover .m2g-order:not(:hover) + .m2g-display {\n",
+       "        background-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Search options */\n",
+       "    #mols2grid .m2g-search-options .m2g-option:not(.sel):hover {\n",
+       "        background: rgba(0,0,0,.15);\n",
+       "    }\n",
+       "\n",
+       "    /* Grid */\n",
+       "    /* Note: this is in an ::after pseudo element, so the transparent\n",
+       "    hover color plays nice with the cell background color. */\n",
+       "    #mols2grid .m2g-cell:hover::after {\n",
+       "        content: &#x27;&#x27;;\n",
+       "        width: 100%;\n",
+       "        height: 100%;\n",
+       "        position: absolute;\n",
+       "        top: 0;\n",
+       "        left: 0;\n",
+       "        background-color: rgba(0,0,0,0.05);\n",
+       "        pointer-events: none;\n",
+       "    }\n",
+       "\n",
+       "    /* info button */\n",
+       "    #mols2grid .m2g-info:hover::before {\n",
+       "        content: &#x27;i&#x27;;\n",
+       "        color: #fff;\n",
+       "        width: 18px;\n",
+       "        height: 18px;\n",
+       "        line-height: 18px;\n",
+       "        background: var(--m2g-hl);\n",
+       "        position: absolute;\n",
+       "        left: 5px;\n",
+       "        top: 5px;\n",
+       "        border-radius: 9px;\n",
+       "    }\n",
+       "    \n",
+       "    /* Callback button */\n",
+       "    #mols2grid .m2g-callback:hover::after {\n",
+       "        background-color: var(--m2g-black);\n",
+       "        background-image: var(--m2g-icn-triangle-white);\n",
+       "        border-color: transparent;\n",
+       "    }\n",
+       "\n",
+       "    /* Copyable text */\n",
+       "    .copy-me:hover {\n",
+       "        text-decoration: underline;\n",
+       "        text-decoration-color: var(--m2g-blue);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Responsive behavior.\n",
+       " * - - -\n",
+       " * Note: container queries won&#x27;t work in older browsers,\n",
+       " * but this is purely aesthetical behavior so that&#x27;s ok.\n",
+       " * https://caniuse.com/css-container-queries\n",
+       " */\n",
+       "\n",
+       "/* This sets the msg-list div as reference container */\n",
+       "#mols2grid {\n",
+       "    container-type: inline-size;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Functions section\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s not enough space to put everything in one row, we break it into two.\n",
+       " * - - -\n",
+       " * 870px = pagination 280 + sort 200 + search 300 + menu 40 + (3*10 gap) = 850 + 20 buffer.\n",
+       " * Buffer required because the button width inside the search depends on the font.\n",
+       " */\n",
+       "@container (max-width: 870px) {\n",
+       "    #mols2grid .m2g-functions {\n",
+       "        flex-direction: column-reverse;\n",
+       "        gap: 10px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:last-child {\n",
+       "        justify-content: flex-end;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-row:first-child *:last-child {\n",
+       "        margin-right: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + sort on one row,\n",
+       " * we reduce the sort drodpwon width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    #mols2grid .m2g-functions .m2g-sort {\n",
+       "        width: 80px;\n",
+       "        flex-basis: 80px;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display {\n",
+       "        font-size: 0;\n",
+       "        line-height: 0;\n",
+       "        padding-right: 0;\n",
+       "    }\n",
+       "    #mols2grid .m2g-functions .m2g-sort .m2g-display::before {\n",
+       "        content: &#x27;Sort&#x27;;\n",
+       "        font-size: var(--m2g-fs);\n",
+       "        line-height: var(--m2g-h);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for pagination + reduced sort on one row,\n",
+       " * we reduce the pagination width.\n",
+       " */\n",
+       "@container (max-width: 500px) {\n",
+       "    /* We&#x27;re overriding min-width from different\n",
+       "    locations, including responsive rules */\n",
+       "    #mols2grid ul.m2g-pagination li,\n",
+       "    #mols2grid ul.m2g-pagination li:last-child,\n",
+       "    #mols2grid ul.m2g-pagination li.active + li:hover {\n",
+       "        min-width: 0;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s not enough room for searchbar + menu\n",
+       " * we scale down the searchbar to fit the container.\n",
+       " */\n",
+       "@container (max-width: 370px) {\n",
+       "    #mols2grid .m2g-functions .m2g-row .m2g-search-wrap {\n",
+       "        flex: 1;\n",
+       "    }\n",
+       "    #mols2grid .m2g-searchbar {\n",
+       "        width: calc(100% - 50px);\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options {\n",
+       "        width: 50px;\n",
+       "    }\n",
+       "\n",
+       "    /* Collapse options in T/M buttons */\n",
+       "    #mols2grid .m2g-search-options .m2g-option {\n",
+       "        width: 25px;\n",
+       "        text-align: center;\n",
+       "        padding: 0;\n",
+       "        overflow: hidden;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:first-child::before {\n",
+       "        content: &#x27;T\\A&#x27;\n",
+       "    }\n",
+       "    #mols2grid .m2g-search-options .m2g-option:last-child::before {\n",
+       "        content: &#x27;S\\A&#x27;\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Grid\n",
+       " */\n",
+       "\n",
+       "/* When there&#x27;s room for 5 columns, fall back to 4 */\n",
+       "@container (min-width: 519px) and (max-width: 779px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 4);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 7-11 columns, fall back to 6 */\n",
+       "@container (min-width: 779px) and (max-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 6);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "/* When there&#x27;s room for 13+ columns, fall back to 12 */\n",
+       "@container (min-width: 1559px) {\n",
+       "    #mols2grid .m2g-cell {\n",
+       "        flex-basis: calc(100% / 12);\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "            /* Custom CSS */\n",
+       "            \n",
+       "        &lt;/style&gt;\n",
+       "        &lt;script src=&quot;https://cdnjs.cloudflare.com/ajax/libs/list.js/2.3.1/list.min.js&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://code.jquery.com/jquery-3.6.0.min.js&quot; integrity=&quot;sha256-/xUj+3OJU5yExlq6GSYGSHk7tPXikynS7ogEvDej/m4=&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "&lt;script src=&quot;https://unpkg.com/@rdkit/rdkit@2022.3.1/Code/MinimalLib/dist/RDKit_minimal.js&quot;&gt;&lt;/script&gt;\n",
+       "        &lt;script&gt;\n",
+       "    // Set iframe height to fit content.\n",
+       "    function fitIframe(iframe) {\n",
+       "        // Ignore when there&#x27;s no iframe\n",
+       "        if (!iframe) return\n",
+       "\n",
+       "        // Only fit height when no specific height was given.\n",
+       "        if (iframe.getAttribute(&#x27;height&#x27;)) return;\n",
+       "\n",
+       "        // Initial fit + refit whenever the window width changes.\n",
+       "        _fit()\n",
+       "        $(window).on(&#x27;resize&#x27;, function() {\n",
+       "            if (window.innerWidth != window.prevInnerWidth) {\n",
+       "                window.prevInnerWidth = window.innerWidth\n",
+       "                _fit();\n",
+       "            }\n",
+       "        })\n",
+       "\n",
+       "        // Fit iframe height to content height.\n",
+       "        function _fit() {\n",
+       "            var height = iframe.contentDocument.body.scrollHeight + 18 + &#x27;px&#x27;;\n",
+       "            iframe.style.height = height;\n",
+       "        }\n",
+       "    }\n",
+       "&lt;/script&gt;\n",
+       "\n",
+       "&lt;!-- prettier-ignore --&gt;\n",
+       "&lt;script src=&quot;https://cdn.jsdelivr.net/npm/bootstrap@4.6.0/dist/js/bootstrap.bundle.min.js&quot; integrity=&quot;sha384-Piv4xVNRyMGpqkS2by6br4gNJ7DXjqk09RmUpJ8jgGtD7zP9yug3goQfGII0yAns&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
+       "        \n",
+       "        &lt;!-- Custom header --&gt;\n",
+       "        \n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/head&gt;\n",
+       "    &lt;body class=&quot;m2g-inside-iframe&quot;&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "        &lt;div id=&quot;mols2grid&quot; class=&quot;grid-default&quot;&gt;\n",
+       "            &lt;!-- Pagination &amp; search --&gt;\n",
+       "            &lt;div class=&quot;m2g-functions&quot;&gt;\n",
+       "                \n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Pagination --&gt;\n",
+       "                    &lt;ul class=&quot;m2g-pagination&quot; class=&quot;d-flex&quot;&gt;&lt;/ul&gt;\n",
+       "                    &lt;div class=&quot;m2g-gap&quot;&gt;&lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Sort dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-sort&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;mols2grid-id&quot; selected&gt;Index&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                                \n",
+       "                                \n",
+       "                                \n",
+       "                            &lt;option value=&quot;data-SMILES&quot;&gt;SMILES&lt;/option&gt;\n",
+       "                                \n",
+       "                            \n",
+       "                            \n",
+       "                            &lt;option value=&quot;checkbox&quot;&gt;Selected&lt;/option&gt;\n",
+       "                            \n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-order&quot;&gt;&lt;/div&gt;\n",
+       "                        &lt;div class=&quot;m2g-display&quot;&gt;\n",
+       "                            Index\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "                &lt;div class=&quot;m2g-row&quot;&gt;\n",
+       "                    &lt;!-- Search bar --&gt;\n",
+       "                    &lt;div class=&quot;m2g-search-wrap&quot;&gt;\n",
+       "                        &lt;input\n",
+       "                            type=&quot;text&quot;\n",
+       "                            class=&quot;m2g-searchbar form-control&quot;\n",
+       "                            placeholder=&quot;Search&quot;\n",
+       "                            aria-label=&quot;Search&quot;\n",
+       "                            aria-describedby=&quot;basic-addon1&quot;\n",
+       "                        /&gt;\n",
+       "                        &lt;div class=&quot;m2g-search-options&quot;&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-text sel&quot;&gt;Text&lt;/div&gt;\n",
+       "                            &lt;div class=&quot;m2g-option m2g-search-smarts&quot;&gt;SMARTS&lt;/div&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "\n",
+       "                    &lt;!-- Action dropdown --&gt;\n",
+       "                    &lt;div class=&quot;m2g-dropdown m2g-actions&quot;&gt;\n",
+       "                        &lt;select&gt;\n",
+       "                            &lt;option hidden&gt;-&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-all&quot;&gt;Select all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;select-matching&quot;&gt;Select matching&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;unselect-all&quot;&gt;Unselect all&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;invert&quot;&gt;Invert&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;copy&quot;&gt;Copy to clipboard&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-smiles&quot;&gt;Save SMILES&lt;/option&gt;\n",
+       "                            &lt;option value=&quot;save-csv&quot;&gt;Save CSV&lt;/option&gt;\n",
+       "                        &lt;/select&gt;\n",
+       "                        &lt;div class=&quot;m2g-icon&quot;&gt;\n",
+       "                            &lt;svg width=&quot;20&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;\n",
+       "                                &lt;path d=&quot;M11.5 4C11.5 4.82843 10.8284 5.5 10 5.5C9.17157 5.5 8.5 4.82843 8.5 4C8.5 3.17157 9.17157 2.5 10 2.5C10.8284 2.5 11.5 3.17157 11.5 4ZM11.5 10C11.5 10.8284 10.8284 11.5 10 11.5C9.17157 11.5 8.5 10.8284 8.5 10C8.5 9.17157 9.17157 8.5 10 8.5C10.8284 8.5 11.5 9.17157 11.5 10ZM10 17.5C10.8284 17.5 11.5 16.8284 11.5 16C11.5 15.1716 10.8284 14.5 10 14.5C9.17157 14.5 8.5 15.1716 8.5 16C8.5 16.8284 9.17157 17.5 10 17.5Z&quot;/&gt;\n",
+       "                            &lt;/svg&gt;\n",
+       "                        &lt;/div&gt;\n",
+       "                    &lt;/div&gt;\n",
+       "                &lt;/div&gt;\n",
+       "            &lt;/div&gt;\n",
+       "\n",
+       "            &lt;!-- Grid --&gt;\n",
+       "            \n",
+       "            &lt;div class=&quot;m2g-list&quot;&gt;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;/div&gt;\n",
+       "        &lt;/div&gt;\n",
+       "        &lt;script&gt;\n",
+       "            // list.js\n",
+       "var listObj = new List(&#x27;mols2grid&#x27;, {\n",
+       "    listClass: &#x27;m2g-list&#x27;,\n",
+       "    valueNames: [{data: [&#x27;mols2grid-id&#x27;]}, &#x27;data-mols2grid-id&#x27;, &#x27;data-SMILES&#x27;, &#x27;data-img&#x27;, &#x27;data-mols2grid-id-display&#x27;, {attr: &#x27;data-content&#x27;, name: &#x27;m2g-tooltip&#x27;}],\n",
+       "    item: &#x27;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&#x27;,\n",
+       "    page: 24,\n",
+       "    pagination: {\n",
+       "        paginationClass: &quot;m2g-pagination&quot;,\n",
+       "        item: &#x27;&lt;li class=&quot;page-item&quot;&gt;&lt;a class=&quot;page page-link&quot; href=&quot;#&quot; onclick=&quot;event.preventDefault()&quot;&gt;&lt;/a&gt;&lt;/li&gt;&#x27;,\n",
+       "        innerWindow: 1,\n",
+       "        outerWindow: 1,\n",
+       "    },\n",
+       "});\n",
+       "listObj.remove(&quot;mols2grid-id&quot;, &quot;0&quot;);\n",
+       "listObj.add([{&quot;mols2grid-id&quot;: 0, &quot;data-SMILES&quot;: &quot;Nc1nc(-c2ccccc2)cn2cc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 0, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(-c2ccccc2)cn2cc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 1, &quot;data-SMILES&quot;: &quot;Nc1nc(N)n2nc(-c3ccco3)nc2n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 1, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(N)n2nc(-c3ccco3)nc2n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 2, &quot;data-SMILES&quot;: &quot;COc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cn1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 2, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cn1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 3, &quot;data-SMILES&quot;: &quot;CCOC(=O)C(Cc1cc2ccccc2[nH]1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 3, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)C(Cc1cc2ccccc2[nH]1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 4, &quot;data-SMILES&quot;: &quot;CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 4, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 5, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NCC3CCC(CNC(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 5, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NCC3CCC(CNC(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 6, &quot;data-SMILES&quot;: &quot;CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 6, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(-c3ccco3)nc2n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 7, &quot;data-SMILES&quot;: &quot;CC(C)CCn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 7, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)CCn1cc2c(nc(NC(=O)COc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 8, &quot;data-SMILES&quot;: &quot;COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 8, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 9, &quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 9, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 10, &quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)O3)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 10, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)O3)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 11, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 11, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 12, &quot;data-SMILES&quot;: &quot;O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 12, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 13, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 13, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 14, &quot;data-SMILES&quot;: &quot;CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 14, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 15, &quot;data-SMILES&quot;: 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&quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)c(F)c1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 757, &quot;data-SMILES&quot;: &quot;C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 757, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C#CCCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 758, &quot;data-SMILES&quot;: &quot;Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 758, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 759, &quot;data-SMILES&quot;: &quot;CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 759, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 760, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NCCCCO)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 760, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NCCCCO)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 761, &quot;data-SMILES&quot;: &quot;NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 761, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 762, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NCCOCCOCCN)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 762, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NCCOCCOCCN)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 763, &quot;data-SMILES&quot;: &quot;COCCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 763, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 764, &quot;data-SMILES&quot;: &quot;CCCN(CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1)CCc1cccc2c1CC(=O)N2&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 764, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCN(CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1)CCc1cccc2c1CC(=O)N2&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 765, &quot;data-SMILES&quot;: &quot;COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 765, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 766, &quot;data-SMILES&quot;: &quot;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 766, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc2c(cnn2CCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 767, &quot;data-SMILES&quot;: &quot;COC(C)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 767, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(C)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 768, &quot;data-SMILES&quot;: &quot;O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 768, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 769, &quot;data-SMILES&quot;: &quot;COc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 769, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 770, &quot;data-SMILES&quot;: &quot;Cn1cc2c(nc(NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 770, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(nc(NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 771, &quot;data-SMILES&quot;: &quot;NC(=NO)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 771, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=NO)c1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 772, &quot;data-SMILES&quot;: &quot;CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 772, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 773, &quot;data-SMILES&quot;: &quot;CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 773, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12&lt;/span&gt;&quot;}, {&quot;mols2grid-id&quot;: 774, &quot;data-SMILES&quot;: &quot;CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 774, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12&lt;/span&gt;&quot;}]);\n",
+       "\n",
+       "\n",
+       "// filter\n",
+       "if (window.parent.mols2grid_lists === undefined) {\n",
+       "    window.parent.mols2grid_lists = {};\n",
+       "}\n",
+       "window.parent.mols2grid_lists[&quot;default&quot;] = listObj;\n",
+       "\n",
+       "\n",
+       "// selection\n",
+       "class MolStorage extends Map {\n",
+       "    multi_set(_id, _smiles) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.set(_id[i], _smiles[i])\n",
+       "        }\n",
+       "    }\n",
+       "    multi_del(_id) {\n",
+       "        for (let i = 0; i &lt; _id.length; i++) {\n",
+       "            this.delete(_id[i])\n",
+       "        }\n",
+       "    }\n",
+       "    to_dict() {\n",
+       "        var content = &#x27;{&#x27;\n",
+       "        for (let [key, value] of this) {\n",
+       "            content += key + &#x27;:&#x27; + JSON.stringify(value) + &#x27;,&#x27;\n",
+       "        }\n",
+       "        content = content.length &gt; 1 ? content.slice(0, -1) : content\n",
+       "        content += &#x27;}&#x27;\n",
+       "        return content\n",
+       "    }\n",
+       "    to_keys() {\n",
+       "        var content = []\n",
+       "        for (let [key] of this) {\n",
+       "            content.push(key)\n",
+       "        }\n",
+       "        return content\n",
+       "    }\n",
+       "    download_smi(fileName, allItems) {\n",
+       "        var content = &#x27;&#x27;\n",
+       "\n",
+       "        if (allItems) {\n",
+       "            // Gather all smiles\n",
+       "            for (var item of allItems) {\n",
+       "                var smiles = item.values()[&#x27;data-SMILES&#x27;]\n",
+       "                var id = item.values()[&#x27;mols2grid-id&#x27;]\n",
+       "                content += smiles + &#x27; &#x27; + id + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        } else {\n",
+       "            // Gather selected smiles\n",
+       "            for (let [key, value] of this) {\n",
+       "                content += value + &#x27; &#x27; + key + &#x27;\\n&#x27;\n",
+       "            }\n",
+       "        }\n",
+       "\n",
+       "        var a = document.createElement(&#x27;a&#x27;)\n",
+       "        var file = new Blob([content], { type: &#x27;text/plain&#x27; })\n",
+       "        a.href = URL.createObjectURL(file)\n",
+       "        a.download = fileName\n",
+       "        a.click()\n",
+       "        a.remove()\n",
+       "    }\n",
+       "}\n",
+       "var SELECTION = new MolStorage();\n",
+       "\n",
+       "\n",
+       "\n",
+       "// kernel\n",
+       "function add_selection(grid_id, _id, smiles) {\n",
+       "    SELECTION.multi_set(_id, smiles);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "function del_selection(grid_id, _id) {\n",
+       "    SELECTION.multi_del(_id);\n",
+       "    let model = window.parent[&quot;_MOLS2GRID_&quot; + grid_id];\n",
+       "    if (model) {\n",
+       "        model.set(&quot;selection&quot;, SELECTION.to_dict());\n",
+       "        model.save_changes();\n",
+       "    }\n",
+       "}\n",
+       "if (window.parent.IPython !== undefined) {\n",
+       "    // Jupyter notebook\n",
+       "    var kernel_env = &quot;jupyter&quot;;\n",
+       "} else if (window.parent.google !== undefined) {\n",
+       "    // Google colab\n",
+       "    var kernel_env = &quot;colab&quot;;\n",
+       "} else {\n",
+       "    var kernel_env = null;\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// sort\n",
+       "var sortField = &#x27;mols2grid-id&#x27;\n",
+       "var sortOrder = &#x27;asc&#x27;\n",
+       "\n",
+       "// Sort dropdown\n",
+       "$(&#x27;#mols2grid .m2g-sort select&#x27;).change(sort)\n",
+       "\n",
+       "// Sort order\n",
+       "$(&#x27;#mols2grid .m2g-order&#x27;).click(flipSort)\n",
+       "\n",
+       "function sort(e) {\n",
+       "    if (e) {\n",
+       "        sortField = e.target.value\n",
+       "        var selectedOption = e.target.options[e.target.selectedIndex]\n",
+       "        var sortFieldDisplay = selectedOption.text\n",
+       "    }\n",
+       "\n",
+       "    // Sort\n",
+       "    if (sortField == &#x27;checkbox&#x27;) {\n",
+       "        listObj.sort(&#x27;mols2grid-id&#x27;, {order: sortOrder, sortFunction: checkboxSort})\n",
+       "    } else {\n",
+       "        listObj.sort(sortField, {order: sortOrder, sortFunction: mols2gridSortFunction})\n",
+       "    }\n",
+       "\n",
+       "    // Update UI.\n",
+       "    $(this).parent().find(&#x27;.m2g-display&#x27;).text(sortFieldDisplay)\n",
+       "}\n",
+       "\n",
+       "// prettier-ignore\n",
+       "function flipSort() {\n",
+       "    $(this).parent().removeClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sortOrder = sortOrder === &#x27;desc&#x27; ? &#x27;asc&#x27; : &#x27;desc&#x27;\n",
+       "    $(this).parent().addClass(&#x27;m2d-arrow-&#x27; + sortOrder)\n",
+       "    sort()\n",
+       "}\n",
+       "\n",
+       "function mols2gridSortFunction(itemA, itemB, options) {\n",
+       "    var x = itemA.values()[options.valueName]\n",
+       "    var y = itemB.values()[options.valueName]\n",
+       "    if (typeof x === &#x27;number&#x27;) {\n",
+       "        if (isFinite(x - y)) {\n",
+       "            return x - y\n",
+       "        } else {\n",
+       "            return isFinite(x) ? -1 : 1\n",
+       "        }\n",
+       "    } else {\n",
+       "        x = x ? x.toLowerCase() : x\n",
+       "        y = y ? y.toLowerCase() : y\n",
+       "        return x &lt; y ? -1 : x &gt; y ? 1 : 0\n",
+       "    }\n",
+       "}\n",
+       "function checkboxSort(itemA, itemB, options) {\n",
+       "    if (itemA.elm !== undefined) {\n",
+       "        var checkedA = itemA.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "        if (itemB.elm !== undefined) {\n",
+       "            var checkedB = itemB.elm.querySelector(&#x27;input[type=checkbox]&#x27;).checked\n",
+       "            if (checkedA &amp;&amp; !checkedB) {\n",
+       "                return -1\n",
+       "            } else if (!checkedA &amp;&amp; checkedB) {\n",
+       "                return 1\n",
+       "            } else {\n",
+       "                return 0\n",
+       "            }\n",
+       "        } else {\n",
+       "            return -1\n",
+       "        }\n",
+       "    } else if (itemB.elm !== undefined) {\n",
+       "        return 1\n",
+       "    } else {\n",
+       "        return 0\n",
+       "    }\n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "// tooltips\n",
+       "$.fn.tooltip.Constructor.Default.whiteList.span = [&#x27;style&#x27;]\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    $(function () {\n",
+       "        // Hide previous popovers.\n",
+       "        $(&#x27;#mols2grid a.page-link&#x27;).click(function(e) {\n",
+       "            $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        });\n",
+       "        // Create new popover.\n",
+       "        $(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover({\n",
+       "            placement: &#x27;auto&#x27;,\n",
+       "            trigger: &#x27;manual&#x27;,\n",
+       "            html: true,\n",
+       "            sanitize: false,\n",
+       "        });\n",
+       "    })\n",
+       "});\n",
+       "\n",
+       "\n",
+       "// grid interactions (select, click, tooltip, key events)\n",
+       "// Check if selection UI is supported.\n",
+       "var supportSelection = eval(&#x27;True&#x27;.toLowerCase());\n",
+       "\n",
+       "listObj.on(&quot;updated&quot;, initInteraction);\n",
+       "\n",
+       "// (Re)initialiuze all grid interaction every time the grid changes.\n",
+       "function initInteraction(list) {\n",
+       "    initCellClick()\n",
+       "    initToolTip()\n",
+       "    initKeyboard()\n",
+       "    if (supportSelection) initCheckbox()\n",
+       "\n",
+       "\n",
+       "    // Hide pagination if there is only one page.\n",
+       "    if (listObj.matchingItems.length &lt;= listObj.page) {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).hide()\n",
+       "    } else {\n",
+       "        $(&#x27;#mols2grid .m2g-pagination&#x27;).show()\n",
+       "    }\n",
+       "\n",
+       "    // Add a bunch of phantom cells.\n",
+       "    // These are used as filler to make sure that\n",
+       "    // no grid cells need to be resized when there&#x27;s\n",
+       "    // not enough results to fill the row.\n",
+       "    $(&#x27;#mols2grid .m2g-list&#x27;).append(&#x27;&lt;div class=&quot;m2g-cell m2g-phantom&quot;&gt;&lt;/div&gt;&#x27;.repeat(11));\n",
+       "}\n",
+       "\n",
+       "// Cell click handler.\n",
+       "function initCellClick() {\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;click&#x27;).click(function(e) {\n",
+       "        if ($(e.target).hasClass(&#x27;m2g-info&#x27;) || $(e.target).is(&#x27;:checkbox&#x27;)) {\n",
+       "            // Info button / Checkbox --&gt; do nothing.\n",
+       "        } else if ($(e.target).is(&#x27;div&#x27;) &amp;&amp; $(e.target).hasClass(&#x27;data&#x27;)) {\n",
+       "            // Data string --&gt; copy text.\n",
+       "            copyOnClick(e.target)\n",
+       "        } else if ($(e.target).hasClass(&#x27;m2g-callback&#x27;)) {\n",
+       "            // Callback button.\n",
+       "            onCallbackButtonClick(e.target)\n",
+       "        } else {\n",
+       "            // Outside checkbox --&gt; toggle the checkbox.\n",
+       "            if (supportSelection) {\n",
+       "                var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "                chkbox.checked = !chkbox.checked\n",
+       "                $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Store an element&#x27;s text content in the clipboard.\n",
+       "function copyOnClick(target) {\n",
+       "    var text = $(target).text()\n",
+       "    navigator.clipboard.writeText(text)\n",
+       "\n",
+       "    // Blink the cell to indicate that the text was copied.\n",
+       "    $(target).addClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    setTimeout(function() {\n",
+       "        $(target).removeClass(&#x27;m2g-copy-blink&#x27;)\n",
+       "    }, 450)\n",
+       "}\n",
+       "\n",
+       "// Keyboard actions.\n",
+       "function initKeyboard() {\n",
+       "    // Disable scroll when pressing UP/DOWN arrows\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keydown&#x27;).keydown(function(e) {\n",
+       "        if (e.which == 38 || e.which == 40) {\n",
+       "            e.preventDefault()\n",
+       "        }\n",
+       "    })\n",
+       "\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).off(&#x27;keyup&#x27;).keyup(function(e) {\n",
+       "        var chkbox = $(this).find(&#x27;input:checkbox&#x27;)[0]\n",
+       "        if (e.which == 13) {\n",
+       "            // ENTER: toggle\n",
+       "            chkbox.checked = !chkbox.checked\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 27 || e.which == 8) {\n",
+       "            // ESC/BACKSPACE: unselect\n",
+       "            chkbox.checked = false\n",
+       "            $(chkbox).trigger(&#x27;change&#x27;)\n",
+       "        } else if (e.which == 37) {\n",
+       "            // LEFT\n",
+       "            $(this).prev().focus()\n",
+       "        } else if (e.which == 39) {\n",
+       "            // RIGHT\n",
+       "            $(this).next().focus()\n",
+       "        } else if (e.which == 38 || e.which == 40) {\n",
+       "            var containerWidth = $(this).parent().outerWidth()\n",
+       "            var cellWidth = $(this).outerWidth() + parseInt($(this).css(&#x27;marginLeft&#x27;)) * 2\n",
+       "            var columns = Math.round(containerWidth / cellWidth)\n",
+       "            var index = $(this).index()\n",
+       "            if (e.which == 38) {\n",
+       "                // UP\n",
+       "                var indexAbove = Math.max(index - columns, 0)\n",
+       "                $(this).parent().children().eq(indexAbove).focus()\n",
+       "            } else if (e.which == 40) {\n",
+       "                // DOWN    \n",
+       "                var total = $(this).parent().children().length\n",
+       "                var indexBelow = Math.min(index + columns, total)\n",
+       "                $(this).parent().children().eq(indexBelow).focus()\n",
+       "            }\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Show tooltip when hovering the info icon.\n",
+       "function initToolTip() {\n",
+       "    $(&#x27;#mols2grid .m2g-info&#x27;).off(&#x27;mouseenter&#x27;).off(&#x27;mouseleave&#x27;).off(&#x27;click&#x27;).mouseenter(function() {\n",
+       "        // Show on enter\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        $(&#x27;body &gt; .popover&#x27;).click(function(e) {\n",
+       "            if ($(e.target).hasClass(&#x27;copy-me&#x27;)) {\n",
+       "                copyOnClick(e.target)\n",
+       "            } else if ($(e.target).is(&#x27;button&#x27;)) {\n",
+       "                \n",
+       "            }\n",
+       "        })\n",
+       "    }).mouseleave(function() {\n",
+       "        // Hide on leave, unless sticky.\n",
+       "        if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    }).click(function() {\n",
+       "        // Toggle sticky on click.\n",
+       "        $(this).closest(&#x27;.m2g-cell&#x27;).toggleClass(&#x27;m2g-keep-tooltip&#x27;)\n",
+       "\n",
+       "        // Hide tooltip when sticky was turned off.\n",
+       "        if ($(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;show&#x27;)\n",
+       "        } else if (!$(this).closest(&#x27;.m2g-cell&#x27;).hasClass(&#x27;m2g-keep-tooltip&#x27;)) {\n",
+       "            $(this).closest(&#x27;.m2g-cell&#x27;).find(&#x27;.m2g-tooltip[data-toggle=&quot;popover&quot;]&#x27;).popover(&#x27;hide&#x27;)\n",
+       "        }\n",
+       "    })\n",
+       "}\n",
+       "\n",
+       "// Update selection on checkbox click.\n",
+       "function initCheckbox() {\n",
+       "    $(&quot;input:checkbox&quot;).off(&#x27;change&#x27;).change(function() {\n",
+       "        var _id = parseInt($(this).closest(&quot;.m2g-cell&quot;).attr(&quot;data-mols2grid-id&quot;));\n",
+       "        if (this.checked) {\n",
+       "            var _smiles = $($(this).closest(&quot;.m2g-cell&quot;).children(&quot;.data-SMILES&quot;)[0]).text();\n",
+       "            add_selection(&quot;default&quot;, [_id], [_smiles]);\n",
+       "        } else {\n",
+       "            del_selection(&quot;default&quot;, [_id]);\n",
+       "        }\n",
+       "    });\n",
+       "}\n",
+       "\n",
+       "// Callback button\n",
+       "function onCallbackButtonClick(target) {\n",
+       "    var data = {}\n",
+       "    data[&quot;mols2grid-id&quot;] = parseInt($(target).closest(&quot;.m2g-cell&quot;)\n",
+       "                                            .attr(&quot;data-mols2grid-id&quot;));\n",
+       "    data[&quot;img&quot;] = $(target).parent().siblings(&quot;.data-img&quot;).eq(0).get(0).innerHTML;\n",
+       "    $(target).parent().siblings(&quot;.data&quot;).not(&quot;.data-img&quot;).each(function() {\n",
+       "        let name = this.className.split(&quot; &quot;)\n",
+       "            .filter(cls =&gt; cls.startsWith(&quot;data-&quot;))[0]\n",
+       "            .substring(5);\n",
+       "        data[name] = this.innerHTML;\n",
+       "    });\n",
+       "\n",
+       "    \n",
+       "    // Call custom js callback.\n",
+       "    None\n",
+       "    \n",
+       "}\n",
+       "\n",
+       "\n",
+       "\n",
+       "/**\n",
+       " * Actions\n",
+       " */\n",
+       "\n",
+       "// Listen to action dropdown.\n",
+       "$(&#x27;#mols2grid .m2g-actions select&#x27;).change(function(e) {\n",
+       "    var val = e.target.value\n",
+       "    switch(val) {\n",
+       "        case &#x27;select-all&#x27;:\n",
+       "            selectAll()\n",
+       "            break\n",
+       "        case &#x27;select-matching&#x27;:\n",
+       "            selectMatching()\n",
+       "            break\n",
+       "        case &#x27;unselect-all&#x27;:\n",
+       "            unselectAll()\n",
+       "            break\n",
+       "        case &#x27;invert&#x27;:\n",
+       "            invertSelection()\n",
+       "            break\n",
+       "        case &#x27;copy&#x27;:\n",
+       "            copy()\n",
+       "            break\n",
+       "        case &#x27;save-smiles&#x27;:\n",
+       "            saveSmiles()\n",
+       "            break\n",
+       "        case &#x27;save-csv&#x27;:\n",
+       "            saveCSV()\n",
+       "            break\n",
+       "    }\n",
+       "    $(this).val(&#x27;&#x27;) // Reset dropdown\n",
+       "})\n",
+       "\n",
+       "// Check all.\n",
+       "function selectAll(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "\n",
+       "// Check matching.\n",
+       "function selectMatching(e) {\n",
+       "    var _id = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.matchingItems.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = true;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "    });\n",
+       "    add_selection(&quot;default&quot;, _id, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Uncheck all.\n",
+       "function unselectAll(e) {\n",
+       "    var _id = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            item.elm.getElementsByTagName(&quot;input&quot;)[0].checked = false;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        _id.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id);\n",
+       "};\n",
+       "\n",
+       "// Invert selection.\n",
+       "function invertSelection(e) {\n",
+       "    var _id_add = [];\n",
+       "    var _id_del = [];\n",
+       "    var _smiles = [];\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        if (item.elm) {\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "        } else {\n",
+       "            item.show()\n",
+       "            var chkbox = item.elm.getElementsByTagName(&quot;input&quot;)[0]\n",
+       "            chkbox.checked = !chkbox.checked;\n",
+       "            item.hide()\n",
+       "        }\n",
+       "        if (chkbox.checked) {\n",
+       "            _id_add.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "            _smiles.push(item.values()[&quot;data-SMILES&quot;]);\n",
+       "        } else {\n",
+       "            _id_del.push(item.values()[&quot;mols2grid-id&quot;]);\n",
+       "        }\n",
+       "    });\n",
+       "    del_selection(&quot;default&quot;, _id_del);\n",
+       "    add_selection(&quot;default&quot;, _id_add, _smiles);\n",
+       "};\n",
+       "\n",
+       "// Copy to clipboard.\n",
+       "function copy(e) {\n",
+       "    // navigator.clipboard.writeText(SELECTION.to_dict());\n",
+       "    content = _renderCSV(&#x27;\\t&#x27;)\n",
+       "    navigator.clipboard.writeText(content)\n",
+       "};\n",
+       "\n",
+       "// Export smiles.\n",
+       "function saveSmiles(e) {\n",
+       "    var fileName = &quot;selection.smi&quot;\n",
+       "    if (SELECTION.size) {\n",
+       "        // Download selected smiles\n",
+       "        SELECTION.download_smi(fileName);\n",
+       "    } else {\n",
+       "        // Download all smiles\n",
+       "        SELECTION.download_smi(fileName, listObj.items);\n",
+       "    }\n",
+       "};\n",
+       "\n",
+       "// Export CSV.\n",
+       "function saveCSV(e) {\n",
+       "    content = _renderCSV(&#x27;;&#x27;)\n",
+       "    var a = document.createElement(&quot;a&quot;);\n",
+       "    var file = new Blob([content], {type: &quot;text/csv&quot;});\n",
+       "    a.href = URL.createObjectURL(file);\n",
+       "    a.download = &quot;selection.csv&quot;;\n",
+       "    a.click();\n",
+       "    a.remove();\n",
+       "};\n",
+       "\n",
+       "// Render CSV for export of clipboard.\n",
+       "function _renderCSV(sep) {\n",
+       "    // Same order as subset + tooltip\n",
+       "    var columns = Array.from(listObj.items[0].elm.querySelectorAll(&quot;div.data&quot;))\n",
+       "        .map(elm =&gt; elm.classList[1])\n",
+       "        .filter(name =&gt; name !== &quot;data-img&quot;);\n",
+       "    // Remove &#x27;data-&#x27; and img\n",
+       "    var header = columns.map(name =&gt; name.slice(5));\n",
+       "    // CSV content\n",
+       "    header = [&quot;index&quot;].concat(header).join(sep);\n",
+       "    var content = header + &quot;\\n&quot;;\n",
+       "    listObj.items.forEach(function (item) {\n",
+       "        let data = item.values();\n",
+       "        let index = data[&quot;mols2grid-id&quot;];\n",
+       "        if (SELECTION.has(index) || SELECTION.size === 0) {\n",
+       "            content += index;\n",
+       "            columns.forEach((key) =&gt; {\n",
+       "                content += sep + data[key];\n",
+       "            })\n",
+       "            content += &quot;\\n&quot;;\n",
+       "        }\n",
+       "    });\n",
+       "    return content\n",
+       "}\n",
+       "\n",
+       "\n",
+       "// generate images for the currently displayed molecules\n",
+       "var draw_opts = {&quot;n_cols&quot;: 5, &quot;width&quot;: 130, &quot;height&quot;: 90};\n",
+       "var json_draw_opts = JSON.stringify(draw_opts);\n",
+       "\n",
+       "var smarts_matches = {};\n",
+       "\n",
+       "// Load RDKit\n",
+       "window\n",
+       ".initRDKitModule()\n",
+       ".then(function(RDKit) {\n",
+       "    console.log(&#x27;RDKit version: &#x27;, RDKit.version());\n",
+       "    window.RDKit = RDKit;\n",
+       "    window.RDKitModule = RDKit;\n",
+       "\n",
+       "    // Searchbar\n",
+       "    function SmartsSearch(query, columns) {\n",
+       "    var smiles_col = columns[0];\n",
+       "    smarts_matches = {};\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var qmol = RDKit.get_qmol(query);\n",
+       "    if (qmol.is_valid()) {\n",
+       "        listObj.items.forEach(function (item) {\n",
+       "            var smiles = item.values()[smiles_col]\n",
+       "            var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "            if (mol.is_valid()) {\n",
+       "                var results = mol.get_substruct_matches(qmol);\n",
+       "                if (results === &quot;\\{\\}&quot;) {\n",
+       "                    item.found = false;\n",
+       "                } else {\n",
+       "                    item.found = true;\n",
+       "                    \n",
+       "                    results = JSON.parse(results);\n",
+       "                    \n",
+       "                    var highlights = {&quot;atoms&quot;: [], &quot;bonds&quot;: []};\n",
+       "                    results.forEach(function (match) {\n",
+       "                        highlights[&quot;atoms&quot;].push(...match.atoms)\n",
+       "                        highlights[&quot;bonds&quot;].push(...match.bonds)\n",
+       "                    });\n",
+       "                    \n",
+       "                    var index = item.values()[&quot;mols2grid-id&quot;];\n",
+       "                    smarts_matches[index] = highlights;\n",
+       "                    \n",
+       "                }\n",
+       "            } else {\n",
+       "                item.found = false;\n",
+       "            }\n",
+       "            mol.delete();\n",
+       "        });\n",
+       "    }\n",
+       "    qmol.delete();\n",
+       "}\n",
+       "var search_type = &quot;Text&quot;;\n",
+       "// Temporary fix for regex characters being escaped by list.js\n",
+       "// This extends String.replace to ignore the regex pattern used by list.js and returns\n",
+       "// the string unmodified. Other calls should not be affected, unless they use the exact\n",
+       "// same pattern and replacement value.\n",
+       "// TODO: remove once the issue is fixed in list.js and released\n",
+       "String.prototype.replace = (function(_super) {\n",
+       "    return function() {\n",
+       "        if (\n",
+       "            (arguments[0].toString() === &#x27;/[-[\\\\]{}()*+?.,\\\\\\\\^$|#]/g&#x27;)\n",
+       "            &amp;&amp; (arguments[1] === &#x27;\\\\$&amp;&#x27;)\n",
+       "        ) {\n",
+       "            if (this.length === 0) {\n",
+       "                return &#x27;&#x27;\n",
+       "            }\n",
+       "            return this\n",
+       "        }\n",
+       "        return _super.apply(this, arguments);\n",
+       "    };         \n",
+       "})(String.prototype.replace);\n",
+       "\n",
+       "// Switch search type (Text or SMARTS)\n",
+       "$(&#x27;#mols2grid .m2g-search-options .m2g-option&#x27;).click(function() {\n",
+       "    search_type = $(this).text();\n",
+       "    $(&#x27;#mols2grid .m2g-search-options .m2g-option.sel&#x27;).removeClass(&quot;sel&quot;);\n",
+       "    $(this).addClass(&quot;sel&quot;);\n",
+       "});\n",
+       "\n",
+       "// Searchbar update event handler\n",
+       "$(&#x27;#mols2grid .m2g-searchbar&#x27;).on(&quot;keyup&quot;, function(e) {\n",
+       "    var query = e.target.value;\n",
+       "    if (search_type === &quot;Text&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        listObj.search(query, [&#x27;data-mols2grid-id&#x27;, &#x27;data-SMILES&#x27;]);\n",
+       "    } else {\n",
+       "        listObj.search(query, [&quot;data-SMILES&quot;], SmartsSearch);\n",
+       "    }\n",
+       "});\n",
+       "\n",
+       "    \n",
+       "    // Generate images for the currently displayed molecules.\n",
+       "RDKit.prefer_coordgen(true);\n",
+       "function draw_mol(smiles, index, template_mol) {\n",
+       "    var mol = RDKit.get_mol(smiles, &#x27;{&quot;removeHs&quot;: false }&#x27;);\n",
+       "    var svg = &quot;&quot;;\n",
+       "    if (mol.is_valid()) {\n",
+       "        var highlights = smarts_matches[index];\n",
+       "        if (highlights) {\n",
+       "            var details = Object.assign({}, draw_opts, highlights);\n",
+       "            details = JSON.stringify(details);\n",
+       "            mol.generate_aligned_coords(template_mol, true);\n",
+       "        } else {\n",
+       "            var details = json_draw_opts;\n",
+       "        }\n",
+       "        svg = mol.get_svg_with_highlights(details);\n",
+       "    }\n",
+       "    mol.delete();\n",
+       "    if (svg == &quot;&quot;) {\n",
+       "        return &#x27;&lt;svg width=&quot;130&quot; height=&quot;90&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot; version=&quot;1.1&quot; viewBox=&quot;0 0 130 90&quot;&gt;&lt;/svg&gt;&#x27;;\n",
+       "    }\n",
+       "    return svg;\n",
+       "}\n",
+       "\n",
+       "// Update images when the list is updated.\n",
+       "listObj.on(&quot;updated&quot;, function (list) {\n",
+       "    var query = $(&#x27;#mols2grid .m2g-searchbar&#x27;).val();\n",
+       "    var template_mol;\n",
+       "    if (query === &quot;&quot;) {\n",
+       "        smarts_matches = {};\n",
+       "        template_mol = null;\n",
+       "    } else {\n",
+       "        template_mol = RDKit.get_qmol(query);\n",
+       "        template_mol.set_new_coords(true);\n",
+       "    }\n",
+       "    $(&#x27;#mols2grid .m2g-cell&#x27;).each(function() {\n",
+       "        var $t = $(this);\n",
+       "        var smiles = $t.children(&quot;.data-SMILES&quot;).first().text();\n",
+       "        var index = parseInt(this.getAttribute(&quot;data-mols2grid-id&quot;));\n",
+       "        var svg = draw_mol(smiles, index, template_mol);\n",
+       "        $t.children(&quot;.data-img&quot;).html(svg);\n",
+       "    });\n",
+       "    if (template_mol) {\n",
+       "        template_mol.delete();\n",
+       "    }\n",
+       "});\n",
+       "    \n",
+       "\n",
+       "    // Trigger update to activate tooltips, draw images, setup callbacks...\n",
+       "    listObj.update();\n",
+       "    \n",
+       "    // Set iframe height to fit content.\n",
+       "    fitIframe(window.frameElement);\n",
+       "});\n",
+       "        &lt;/script&gt;\n",
+       "\n",
+       "\n",
+       "\n",
+       "\n",
+       "    &lt;/body&gt;\n",
+       "&lt;/html&gt;\n",
+       "\">\n",
+       "</iframe>"
+      ],
+      "text/plain": [
+       "<IPython.core.display.HTML object>"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.grid_visualizers import interactive_grid\n",
+    "\n",
+    "table_to_grid(query_result, impl=interactive_grid)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/basics/modelling/classification.ipynb b/tutorials/basics/modelling/classification.ipynb
new file mode 100644
index 00000000..219a9f24
--- /dev/null
+++ b/tutorials/basics/modelling/classification.ipynb
@@ -0,0 +1,1522 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Classification Modelling\n",
+    "\n",
+    "In this notebook, we will go into the specifics of building a classification model with QSPRpred.\n",
+    "The main difference with regression is in the data preparation step, where we need to define the classes we want to predict.\n",
+    "If you are interested in regression modelling, please refer to the [quick start tutorial](../../quick_start.ipynb)."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Let's first load our example dataset."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Data preparation is identical to regression, except that we need to define the classes we want to predict.\n",
+    "In this example we will split the bioactivity in active and inactive compounds, based on a threshold of 6.5.\n",
+    "\n",
+    "You can see that the specification of the target property now includes the threshold `th` as well as the `task` `SINGLECLASS`.\n",
+    "(Note. multi-class classification is also possible, you can find an example [below](#Multi-class-classification).)\n",
+    "The QSPRDataset will now include the classfied target property ({name}_class) as well as the original target property."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:30:42.727375036Z",
+     "start_time": "2023-12-23T21:30:40.679368093Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ClassificationTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ClassificationTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ClassificationTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ClassificationTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ClassificationTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>ClassificationTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ClassificationTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>False</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ClassificationTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>ClassificationTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>True</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>ClassificationTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                               SMILES  \\\n",
+       "QSPRID                                                                                  \n",
+       "ClassificationTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "ClassificationTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "ClassificationTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "ClassificationTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "ClassificationTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                               ...   \n",
+       "ClassificationTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "ClassificationTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "ClassificationTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "ClassificationTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "ClassificationTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                    pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                           \n",
+       "ClassificationTutorialDataset_0000                True  2008.0   \n",
+       "ClassificationTutorialDataset_0001               False  2010.0   \n",
+       "ClassificationTutorialDataset_0002               False  2009.0   \n",
+       "ClassificationTutorialDataset_0003               False  2009.0   \n",
+       "ClassificationTutorialDataset_0004               False  2019.0   \n",
+       "...                                                ...     ...   \n",
+       "ClassificationTutorialDataset_4077                True  2018.0   \n",
+       "ClassificationTutorialDataset_4078                True  2008.0   \n",
+       "ClassificationTutorialDataset_4079               False  2010.0   \n",
+       "ClassificationTutorialDataset_4080                True  2013.0   \n",
+       "ClassificationTutorialDataset_4081                True  2014.0   \n",
+       "\n",
+       "                                                                QSPRID  \\\n",
+       "QSPRID                                                                   \n",
+       "ClassificationTutorialDataset_0000  ClassificationTutorialDataset_0000   \n",
+       "ClassificationTutorialDataset_0001  ClassificationTutorialDataset_0001   \n",
+       "ClassificationTutorialDataset_0002  ClassificationTutorialDataset_0002   \n",
+       "ClassificationTutorialDataset_0003  ClassificationTutorialDataset_0003   \n",
+       "ClassificationTutorialDataset_0004  ClassificationTutorialDataset_0004   \n",
+       "...                                                                ...   \n",
+       "ClassificationTutorialDataset_4077  ClassificationTutorialDataset_4077   \n",
+       "ClassificationTutorialDataset_4078  ClassificationTutorialDataset_4078   \n",
+       "ClassificationTutorialDataset_4079  ClassificationTutorialDataset_4079   \n",
+       "ClassificationTutorialDataset_4080  ClassificationTutorialDataset_4080   \n",
+       "ClassificationTutorialDataset_4081  ClassificationTutorialDataset_4081   \n",
+       "\n",
+       "                                    pchembl_value_Mean_original  \n",
+       "QSPRID                                                           \n",
+       "ClassificationTutorialDataset_0000                         8.68  \n",
+       "ClassificationTutorialDataset_0001                         4.82  \n",
+       "ClassificationTutorialDataset_0002                         5.65  \n",
+       "ClassificationTutorialDataset_0003                         5.45  \n",
+       "ClassificationTutorialDataset_0004                         5.20  \n",
+       "...                                                         ...  \n",
+       "ClassificationTutorialDataset_4077                         7.09  \n",
+       "ClassificationTutorialDataset_4078                         8.22  \n",
+       "ClassificationTutorialDataset_4079                         4.89  \n",
+       "ClassificationTutorialDataset_4080                         6.51  \n",
+       "ClassificationTutorialDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from IPython.display import display\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"ClassificationTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"SINGLECLASS\", \"th\": [6.5]}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "display(dataset.getDF())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Let's have a quick look at the distribution of the classes:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:30:43.179166527Z",
+     "start_time": "2023-12-23T21:30:42.730519938Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "2495 active compounds and 1587 inactive compounds\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "\n",
+    "import matplotlib.pyplot as plt\n",
+    "\n",
+    "# plot the distribution of the target property\n",
+    "orig_prop_values = dataset.getProperty(f\"{dataset.targetProperties[0].name}_original\")\n",
+    "orig_prop_values.hist()\n",
+    "plt.axvline(x=6.5, color=\"r\", linestyle=\"--\")\n",
+    "\n",
+    "# print the number of active and inactive compounds\n",
+    "prop_values = dataset.getProperty(dataset.targetProperties[0].name)\n",
+    "num_active = prop_values.sum()\n",
+    "num_inactive = prop_values.shape[0] - num_active\n",
+    "print(f\"{num_active} active compounds and {num_inactive} inactive compounds\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Further data preparation is identical to regression."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:30:52.872229424Z",
+     "start_time": "2023-12-23T21:30:43.222679776Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of samples train set: 3265\n",
+      "Number of active samples train set: pchembl_value_Mean    2002\n",
+      "dtype: int64\n",
+      "Number of samples test set: 817\n",
+      "Number of active samples test set: pchembl_value_Mean    493\n",
+      "dtype: int64\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data import RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "# Specifiy random split for creating the train (80%) and test set (20%)\n",
+    "rand_split = RandomSplit(test_fraction=0.2, dataset=dataset)\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=rand_split,\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    ")\n",
+    "\n",
+    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
+    "print(f\"Number of active samples train set: {dataset.y.sum()}\")\n",
+    "print(f\"Number of samples test set: {len(dataset.y_ind)}\")\n",
+    "print(f\"Number of active samples test set: {dataset.y_ind.sum()}\")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After data preparation, the model can be trained as usual.\n",
+    "We just need to make sure to use a model that supports classification.\n",
+    "In this example we will use a K-Nearest Neighbors model."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:05.388823542Z",
+     "start_time": "2023-12-23T21:30:52.874390633Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._classification.KNeighborsClassifier'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsClassifier\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    alg=KNeighborsClassifier,\n",
+    "    name=\"ClassificationTutorialModel\"\n",
+    ")\n",
+    "\n",
+    "# We can now assess the model performance on the training set using cross validation\n",
+    "CrossValAssessor(\"roc_auc\")(model, dataset)\n",
+    "\n",
+    "# and on the test set\n",
+    "TestSetAssessor(\"roc_auc\")(model, dataset)\n",
+    "\n",
+    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
+    "model.fitDataset(dataset)\n",
+    "\n",
+    "# and save the model\n",
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "To visualize the results, we will create a ROC curve for the cross validation results and the test set."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:06.183420611Z",
+     "start_time": "2023-12-23T21:31:05.392127508Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x600 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "[<Figure size 600x600 with 1 Axes>]"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import ROCPlot\n",
+    "\n",
+    "plot = ROCPlot([model])\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"cv\")\n",
+    "plot.make(save=True, show=True, property_name=model.targetProperties[0].name,\n",
+    "          validation=\"ind\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can also plot a number of metrics like the f1 score, matthews correlation coefficient, precision and recall and calibration error."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:13.465400133Z",
+     "start_time": "2023-12-23T21:31:06.182124628Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "ClassificationTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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98ccfatKkierWrasxY8ZY/pyVKFFC8+bN07fffqsaNWpo4sSJev/99++5DgCwF5P5fx/CAQzQq1cvXblyRcuWLcvT66akpKhMmTKaO3euOnXqlKvXmjdvngYPHpxnr4EDAOBe8EwhHkpZWVm6ePGipk6dKi8vLz333HNGlwQAgKG4fYyHUkJCgnx9fbVgwQJFR0dnm0GNf+aZZ5657wW+jZIfawYAe+L2MQC7+/PPP3X9+vUc9/n4+PzthBwj5MeaAcCeDA2Fv/32m6ZMmaKdO3fqzJkzWrp0qTp06HDHYzZs2KCIiAgdPHhQ/v7+GjVqVI6vhQIAAMDdM/T2cWpqqgICAjRz5sy76n/y5Em1adNGLVq00J49ezR48GD17dtXa9asyeVKAQAACrYH5vaxyWT625HCN998UytXrtSBAwcsbS+99JKuXLmi1atX50GVAAAABVO+mmgSGxtr9W5USQoJCVFsbKzNY9LS0pScnGz5SUpK0oULF7K9DgsAAOBhlq9C4dmzZ63egCFJvr6+Sk5OtvmAeFRUlIoWLWr58fLyUsmSJXX16tW8KBkAACBfyFeh8H6MHDlSSUlJlp/Tp08bXRIAAMADJ18tzubn56dz585ZtZ07d06enp4qXLhwjse4uLjIxcUlL8oDAADIt/LVSGFwcLBiYmKs2tauXavg4GCDKgIAACgYDA2FKSkp2rNnj/bs2SPp1pIze/bsUUJCgqRbt3579Ohh6f/666/rxIkTGj58uA4fPqxPPvlE33zzjcLDw40oHwAAoMAwNBTu2LFDdevWVd26dSVJERERqlu3rsaMGSNJOnPmjCUgSlKFChW0cuVKrV27VgEBAZo6dao+//xzhYSEGFI/AABAQfHArFOYV5KTk1W0aFElJSXJ09PT6HIAAAAeCPnqmUIAAADkDkIhAAAACIUAAAAgFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAACQ5GR0AcD9MpvNSk1NtWwXKVJEJpPJwIoAAMi/CIXIt1JTU9W+fXvL9g8//CB3d3cDK8o/Et6pbXQJKODKjtlvdAkA7hG3jwEAAEAoBAAAAKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAMTi1Q+c+sO+NLqEfMN0M11F/7LdfPQimZ2cDasnP1nqYXQFAIAHDSOFAAAAIBQCAACAUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAvNEE+ZjZsZCS6nS12gYAAPeHUIj8y2TitXYAANgJt48BAABAKAQAAAChEAAAACIUAgAAQIRCAAAAiFAIAAAAEQoBAAAgQiEAAABEKAQAAIAIhQAAABChEAAAACIUAgAAQIRCAAAAiFAIAAAAEQoBAAAgQiEAAABEKAQAAIAIhQAAABChEAAAACIUAgAAQIRCAAAAiFAIAAAAPQChcObMmSpfvrxcXV3VsGFDbdu27Y79p0+frqpVq6pw4cLy9/dXeHi4bty4kUfVAgAAFEyGhsLFixcrIiJCkZGR2rVrlwICAhQSEqLz58/n2H/BggUaMWKEIiMjFRcXpy+++EKLFy/WW2+9lceVAwAAFCyGhsJp06apX79+6t27t2rUqKHZs2fLzc1N0dHROfbfsmWLGjdurJdfflnly5fX008/ra5du/7t6CIAAADuzLBQmJ6erp07d6pVq1b/LcbBQa1atVJsbGyOxzRq1Eg7d+60hMATJ05o1apVevbZZ/OkZgAAgILKyagLX7x4UZmZmfL19bVq9/X11eHDh3M85uWXX9bFixf1xBNPyGw26+bNm3r99dfvePs4LS1NaWlplu3k5GT7fAAAAIACxLBQeD82bNig9957T5988okaNmyoY8eOadCgQRo/frxGjx6d4zFRUVEaN25cHlcKACgIevfu/bd9zGaz5s2bl/vFALnMsFBYvHhxOTo66ty5c1bt586dk5+fX47HjB49Wt27d1ffvn0lSbVr11Zqaqpee+01vf3223JwyH43fOTIkYqIiLBsJycny9/f346fBABQUCUlJdncZzabtXv3biUkJBAKUSAYFgqdnZ1Vv359xcTEqEOHDpKkrKwsxcTEKDQ0NMdjrl27li34OTo6Srr1H2dOXFxc5OLiYr/CAQAPjSVLlmRru3jxor7++mtFR0crOTlZr7/+ugGVAfZn6O3jiIgI9ezZU0FBQWrQoIGmT5+u1NRUy3B9jx49VKZMGUVFRUmS2rVrp2nTpqlu3bqW28ejR49Wu3btLOEQAAB7y8rK0urVqzV37lytWLFCTzzxhEaMGKFOnTox8IACw9BQ2KVLF124cEFjxozR2bNnFRgYqNWrV1smnyQkJFiNDI4aNUomk0mjRo3Sn3/+qRIlSqhdu3aaMGGCUR8BAFDApaSkqFq1anJ2dlavXr00bdo0HkNCgWT4RJPQ0FCbt4s3bNhgte3k5KTIyEhFRkbmQWUAANzi6Ogok8kks9msrKwso8sBcoXhr7kDAOBB5u7urvj4eH3yySc6ePCgatSooaeeekoLFy60WvIMyO8IhQAA/A2TyaSQkBB98803On36tNq1a6fJkyerVKlSGjhwoNHlAXZh+O1jAAAeVB07drS5r0KFCrpy5YpmzZqlmTNn5mFVQO4gFAIAYIO3t/cd97do0SKPKgFyH6EQAAAboqOjjS4ByDOEQgAA/sa1a9d0/PhxSVKlSpXk5uZmcEWA/THRBAAAG9LS0hQeHi4fHx8FBgYqMDBQ3t7eGjRokNLT040uD7ArRgoBALDhzTff1Pfff6958+apcePGkqQtW7Zo6NChMpvNmjFjhsEVAvZDKAQAwIaFCxfqyy+/VEhIiKWtS5cu8vb2Vvfu3QmFKFC4fQwAgA1Xr17N8ZV2ZcuWVXJysgEVAbmHUAgAgA1BQUGaPHmybt68aWm7efOmJk2apKCgIAMrA+yP28cAANgwffp0Pf3006pQoYIee+wxSdK2bdt0/fp1rVmzxuDqAPtipBAAABvq1aun48ePKyIiQj4+PvLx8VF4eLiOHz/OSCEKHEYKAQC4g6JFiyo8PNzoMoBcRygEAOAOTp8+rdmzZysuLk6SVK1aNQ0YMECPPPKIwZUB9sXtYwAAbFi1apWqVKmiH3/80XL7+Mcff1TlypW1atUqo8sD7IqRQgAAbAgPD9cbb7yhyZMnW7UPHz5c4eHhevbZZw2qDLA/RgoBALDh9OnT6tu3b7b2fv366fTp0wZUBOQeQiEAADY0aNBAO3bsyNa+Y8cOBQcHG1ARkHu4fQwAgA29e/fW0KFDtX//fksIjI2N1bx58zRx4kT9+uuvlr7NmjUzqkzALkxms9lsdBF5KTk5WUWLFlVSUpI8PT2NLieb+sO+NLoEPASWekwxugQUcGXH7De6BLtwdHS8q35ms1lZWVm5XA2QuxgpBADAhsuXLxtdApBnCIUAANjwIN5RAnILE00AALiD/fv365VXXlGNGjXUoEED9evXT8ePHze6LMDuCIUAANiwc+dOBQcH6/z583r66ae1f/9+OTk5KTAwUJs2bTK6PMCuCIUAANjw9ttvq3fv3vr55581aNAgOTk5adasWXrvvff01ltvGV0eYFeEQgAAbIiNjbUsXv3XxTratGmT4/qFQH5GKAQAwAaz2awiRYpkaz9//rxKlChhQEVA7iEUAgBgQ6VKlXTw4EHLttls1qZNmxQaGqoOHToYVxiQCwiFAADY0KVLF61bt86yfePGDTVv3lwBAQGKiooysDLA/linEAAAG0aMGGH5ddmyZXXw4EFVqFBBzs7OBlYF5A5CIQAAd8HJyUlVq1Y1ugwg1xAKAQCwoWLFilazju/k5MmTuVwNkLsIhQAA2DB48GCjSwDyDKEQAAAbwsLCjC4ByDPMPgYAAAChEAAAAIRCAAAAiFAIAAAAEQoBAAAgQiEAAH8rNTVVCxYsyPZroCAhFAIA8DfOnTunf/3rX9l+DRQkhEIAAAAQCgEAAEAoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAO6KyWTK8ddAQUEoBADgb5QpU0Y//fRTtl8DBQmhEACAv+Hi4qLGjRtn+zVQkBAKAQAAQCgEAAAAoRAAAAAiFAIAAECSk9EFAACQH5jNZl24cEEmk0nFixdnWRoUOIwUAgBwB5cvX9aAAQNUrFgx+fn5ydfXV8WLF9eAAQOUlJRkdHmA3TBSCACADVevXtUTTzyh06dPq1u3bqpWrZok6ciRI/rqq6/022+/KTY2Vh4eHgZXCvxzhEIAAGyYOHGiUlJS9Mcff8jPz89qX2RkpBo0aKCJEydqwoQJBlUI2A+3jwEAsOH777/Xu+++my0QSpKvr68mTJigJUuWGFAZYH+EQgAAbDh16pSCgoJs7g8KClJ8fHzeFQTkIkIhAAA2eHt7q1ChQjb3Ozk5ydvbOw8rAnIPoRAAABtq166t3377zeb+DRs2qFatWnlYEZB7CIUAANgQGhqqSZMmKTU1Ndu+a9euafLkyerfv78BlQH2x+xjAABsaNeunZo1a6bChQtn2+fq6qodO3bI09PTgMoA+yMUAgBwB7ZCn4ODA4EQBQqhEAAAGypWrCiz2XxXfU+ePJnL1QC5i1AIAIANgwcPNroEIM8QCgEAsCEsLMzoEoA8w+xjAADuYN++fVqyZIlOnTpldClAriIUAgBgw4cffqi6devq5ZdfVrVq1bRu3TpJ0owZM/TBBx8YXB1gX4aHwpkzZ6p8+fJydXVVw4YNtW3btjv2v3LligYOHKhSpUrJxcVFVapU0apVq/KoWgDAw2TKlCn64IMPdOPGDQ0cOFATJ06UJAUEBGju3LkGVwfYl6GhcPHixYqIiFBkZKR27dqlgIAAhYSE6Pz58zn2T09P11NPPaX4+Hh99913OnLkiObMmaMyZcrkceUAgIfBlStX1K5dO0nSiy++qMOHD0uSKlSooBMnThhZGmB3hk40mTZtmvr166fevXtLkmbPnq2VK1cqOjpaI0aMyNY/OjpaiYmJ2rJli+VdlOXLl8/LkgEAD5GmTZtq06ZNqlChgnx8fJScnCxJOnHihHx8fAyuDrAvw0YK09PTtXPnTrVq1eq/xTg4qFWrVoqNjc3xmOXLlys4OFgDBw6Ur6+vatWqpffee0+ZmZk2r5OWlqbk5GSrHwAA7ka3bt301ltv6d1339XGjRt18+ZNff/99xowYIBlBBEoKAwbKbx48aIyMzPl6+tr1e7r62sZnv9fJ06c0Pr169WtWzetWrVKx44d04ABA5SRkaHIyMgcj4mKitK4cePsXj8AoODr0aOHJFn9HdO/f3+9+OKLmjRpklFlAbkiX61TmJWVpZIlS+qzzz6To6Oj6tevrz///FNTpkyxGQpHjhypiIgIy3ZycrL8/f3zqmQAQD52+fJlq21nZ2e5uroaVA2QuwwLhcWLF5ejo6POnTtn1X7u3Dn5+fnleEypUqVUqFAhOTo6WtqqV6+us2fPKj09Xc7OztmOcXFxkYuLi32LBwA8FHi3MR4mhj1T6OzsrPr16ysmJsbSlpWVpZiYGAUHB+d4TOPGjXXs2DFlZWVZ2v744w+VKlUqx0AIAMA/ERYWpvDwcMv2F198oYCAALVt21YJCQkGVgbYn6FL0kRERGjOnDmaP3++4uLi1L9/f6WmplpmI/fo0UMjR4609O/fv78SExM1aNAg/fHHH1q5cqXee+89DRw40KiPAAAowFavXq1nnnlGkvTnn3+qf//+ev7553Xz5k2FhoYaXB1gX4Y+U9ilSxdduHBBY8aM0dmzZxUYGKjVq1dbJp8kJCTIweG/udXf319r1qxReHi46tSpozJlymjQoEF68803jfoIAIAC7N///reqVKkiSVq5cqUaNGig0aNH69ChQ3riiScMrg6wL8MnmoSGhtr819aGDRuytQUHB+v333/P5aoAALj1TGFiYqLKly+vn3/+2bKMmpubm9LT0w2uDrAvw0MhAAAPqmeeeUYDBw5UixYttGLFCstKF4cOHVKFChUMrg6wL8PffQwAwINq2rRpqlChglatWqWpU6eqdu3akm6NIE6ZMsXg6gD7YqQQAAAbvL29tWDBgmztPE+IgoiRQgAAbJgwYYLVyxFWr16t9u3bKzQ0VFeuXDGuMCAXEAoBALBh4cKFql+/viTp0qVL6ty5s0qUKKHY2FiWQ0OBw+1jAABsiI+PV82aNSVJq1atUpUqVfT5559r9+7dCgkJMbg6wL4YKQQAwIbChQvrxo0bkqS1a9fq6aefliQVK1ZMKSkpRpYG2B0jhQAA2NCkSRONHDlSbdu21XfffWd5NeuxY8fk7+9vcHWAfTFSCACADR988IEuXryo4cOHKzQ0VMHBwZKk69ev66233jK4OsC+GCkEAMCGcuXKacuWLdna27RpY0A1QO4iFAIAYMOpU6fuuL9cuXIym81KSEhQuXLl8qgqIHcQCgEAsKFixYoym80ymUwym82W9tvbWVlZunDhgipUqKCsrCwDKwX+OUIhAAA27N69+2/7FC9eXHv27Mn9YoBcRigEAMCGOnXq5Nh++5axJDk4ONjsB+QnzD4GAOAe3b5lDBQkjBQCAGCDj4+P1bOEt91+zrBEiRKqVKmSpk2bpkaNGhlQIWA/hEIAAGyYPn16ju3JyckKCwvT+++/r19++UWvv/669u3bl7fFAXZmMuf0T6ACLDk5WUWLFlVSUpI8PT2NLieb+sO+NLoEPASWekwxugQUcGXH7De6hFx1/vx5lSpVSpmZmTpz5ozKlSun9PR0o8sC/hGeKQQA4B4VLVpUc+fOlSQVKVJEbdu2Nbgi4J+769vHnTp1uuuTLlmy5L6KAQDgQfLrr7/a3Hd7sWo3NzcNGjQor0oqMC5cuKAxY8Zo5cqVOnfunLy9vRUQEKAxY8aocePGf3v82LFjtWzZMpYDsqO7DoVFixbNzToAAHjgtGzZ0jKp5H/dXrw6MTFRLVu2VGZmpgEV5l+dO3dWenq65s+fr4oVK+rcuXOKiYnRpUuXjC7toXXXofD2MDkAAA+Ly5cv/22fkiVL3lU//NeVK1e0ceNGbdiwQc2aNZN0a+S1QYMGVn2GDh2qH374QWlpaQoKCtIHH3yggIAAzZs3T+PGjZMkS2CfO3euevXqleefpSBh9jEAADbc7YTEB3Hi4oPM3d1d7u7uWrZsmR5//HG5uLhk6/PCCy+ocOHC+umnn1S0aFF9+umnevLJJ/XHH3+oS5cuOnDggFavXq1169ZJ4o6mPdx1KKxbt26Ow+c52bVr130XBADAg+To0aOKiorSvn37dP36dQUGBmrYsGEKDAw0urR8y8nJSfPmzVO/fv00e/Zs1atXT82aNdNLL72kOnXqaNOmTdq2bZvOnz9vCYzvv/++li1bpu+++06vvfaa3N3d5eTkJD8/P4M/TcFx16GwQ4cOuVgGAAAPno0bN+rpp5/WY489pnbt2kmSYmJiFBwcrHXr1t3VhAjkrHPnzmrTpo02btyo33//XT/99JMmT56szz//XKmpqUpJSVGxYsWsjrl+/bqOHz9uUMUFH+sUPmBYpxB5gXUKkdsKyjqFTZo0UZ06dTRz5kyr9jfeeEMHDhzQL7/8YlBlBVPfvn21du1aDRgwQB999JE2bNiQrY+Xl5eKFy/O7ONcwDOFAADYsHPnTn3yySfZ2l977TU9/vjjBlRUsNWoUUPLli1TvXr1dPbsWTk5Oal8+fI59nV2dmbGt53d1+LVmZmZev/999WgQQP5+fnJx8fH6gcAgIKgcOHCKlSoULZ2JyenHCdH4O5cunRJLVu21FdffaV9+/bp5MmT+vbbbzV58mS1b99erVq1UnBwsDp06KCff/5Z8fHx2rJli95++23t2LFDklS+fHmdPHlSe/bs0cWLF5WWlmbwp8r/7isUjhs3TtOmTVOXLl2UlJSkiIgIderUSQ4ODho7dqydSwQAwBgNGzbM8RbmL7/8ooYNG+Z9QQWEu7u7GjZsqA8++EBNmzZVrVq1NHr0aPXr108ff/yxTCaTVq1apaZNm6p3796qUqWKXnrpJZ06dUq+vr6Sbj2T2Lp1a7Vo0UIlSpTQwoULDf5U+d99PVNYqVIlzZgxQ23atJGHh4f27Nljafv999+1YMGC3KjVLnimEOCZQuS+gvJMYXJysm7evJntLlhiYqIcHR1ZBgUFyn2NFJ49e1a1a9eWdCvtJyUlSZLatm2rlStX2q86AAAM5OnpKW9vbyUmJlq1+/j4EAhR4NxXKHzkkUd05swZSbdGDX/++WdJ0vbt23nGAgBQYKxfv14lS5ZU8eLFVa1aNR07dkyStGTJEq1Zs8bg6gD7uq9Q2LFjR8XExEi6NS1/9OjRqly5snr06KFXX33VrgUCAGCUsLAwPfvss9q4caMqVKigMWPGSJIcHBz07rvvGlwdYF/3tSTNxIkTLb/u0qWLypUrpy1btqhy5cqWxT0BAMjvTpw4oR9++EGVKlXS8OHD1bdvX0lSQECADhw4YHB1gH3ZZZ3Cxx9/nPWaAAAFTtWqVXXq1ClVqlRJpUuX1sWLFyVJV69elaOjo8HVAfZ1X7ePo6KiFB0dna09OjpakyZN+sdFAQDwIJgxY4ZGjhypTZs2KSsrS1lZWbp48aLGjBmj4OBgo8sD7Oq+QuGnn36qatWqZWuvWbOmZs+e/Y+LAgDgQdC8eXPt2LFDTZs2Vc2aNXXt2jWVLFlSJ0+e1Icffmh0eYBd3dft47Nnz6pUqVLZ2kuUKGGZlQwAQH63dOlSq21nZ2eVLVtWNWrUMKgiIPfcVyj09/fX5s2bVaFCBav2zZs3q3Tp0nYpDAAAoz333HNGlwDkmfu6fdyvXz8NHjxYc+fO1alTp3Tq1ClFR0crPDxc/fr1s3eNAAAYJjMzU2fOnLH8fXfq1Cnt2LFDDg4Oio+P16lTp4wuEXdp3rx58vLysmyPHTtWgYGBdzymV69e6tChwz++tr3Ok5vua6Rw2LBhunTpkgYMGKD09HRJkqurq958802NHDnSrgUCAGCU6OhovfHGG7p+/Xq2fSaTSZUqVZLZbFZWVpbNc+T160t3Tulxz8ecPXtWEyZM0MqVK/Xnn3+qZMmSCgwM1ODBg/Xkk0/mQpX35vvvv9eLL76ohIQElSlTJtv+20viTZs27Z7OO3ToUL3xxhv2KlOSFB8frwoVKmj37t1WgfPDDz/UfbxZOE/dVyg0mUyaNGmSRo8erbi4OBUuXFiVK1fmbSYAgALlnXfe0ahRo9S6dWurJWgSExPVsmVL7dmzx7ji7CQ+Pl6NGzeWl5eXpkyZotq1aysjI0Nr1qzRwIEDdfjw4RyPy8jIUKFChfKkxueee07FihXT/Pnz9dZbb1nt++2333Ts2DH16dPnns/r7u4ud3d3e5V5R/nhtYj3dfv4trNnzyoxMVGVKlWSi4vLA5+AAQC4F3/++af69OmjunXrqk6dOpaf2xNNbm/nZwMGDJDJZNK2bdvUuXNnValSRTVr1lRERIR+//13Sz+TyaRZs2bpueeeU5EiRTRhwgRJ0qxZs1SpUiU5OzuratWq+r//+z/LMWazWWPHjlXZsmXl4uKi0qVLKywszLL/k08+UeXKleXq6ipfX189//zzOdZYqFAhde/eXfPmzcu2Lzo6Wg0bNlTNmjU1bdo01a5dW0WKFJG/v78GDBiglJQUm5/9f28fZ2ZmKiIiQl5eXipWrJiGDx+eLdusXr1aTzzxhKVP27Ztdfz4ccv+2/Mt6tatK5PJpObNm0vKfvs4LS1NYWFhKlmypFxdXfXEE09o+/btlv0bNmyQyWRSTEyMgoKC5ObmpkaNGunIkSM2P88/dV+h8NKlS3ryySdVpUoVPfvss5YZx3369NGQIUPsWiAAAEZp0qSJXF1ds7U7Oztb/rLPzxITE7V69WoNHDhQRYoUybb/r8/fSbdCVMeOHbV//369+uqrWrp0qQYNGqQhQ4bowIED+te//qXevXvrl19+kXTrtu8HH3ygTz/9VEePHtWyZctUu3ZtSdKOHTsUFhamd955R0eOHNHq1avVtGlTm7X26dNHR48e1W+//WZpS0lJ0XfffWcZJXRwcNCMGTN08OBBzZ8/X+vXr9fw4cPv+vuYOnWq5s2bp+joaG3atEmJiYnZZqCnpqYqIiJCO3bsUExMjBwcHNSxY0fLIwTbtm2TJK1bt05nzpzRkiVLcrzW8OHD9f3332v+/PnatWuXHn30UYWEhCgxMdGq39tvv62pU6dqx44dcnJyytXXCd/X7ePw8HAVKlRICQkJql69uqW9S5cuioiI0NSpU+1WIAAARlm/fn2O7V5eXjb35SfHjh2T2WzOce3hnLz88svq3bu3Zbtr167q1auXBgwYIEmW0cX3339fLVq0UEJCgvz8/NSqVSsVKlRIZcuWVYMGDSRJCQkJKlKkiNq2bSsPDw+VK1dOdevWtXntGjVq6PHHH1d0dLQlPH7zzTcym8166aWXJEmDBw+29C9fvrzeffddvf766/rkk0/u6vNNnz5dI0eOVKdOnSRJs2fP1po1a6z6dO7c2Wo7OjpaJUqU0KFDh1SrVi2VKFFCklSsWDH5+fnleJ3U1FTNmjVL8+bN0zPPPCNJmjNnjtauXasvvvhCw4YNs/SdMGGCmjVrJkkaMWKE2rRpoxs3buT4j5V/6r5GCn/++WdNmjRJjzzyiFV75cqVmYUFACgwevfubfOnV69ekm698u6vQSk/udfHvoKCgqy24+Li1LhxY6u2xo0bKy4uTpL0wgsv6Pr166pYsaL69eunpUuX6ubNm5Kkp556SuXKlVPFihXVvXt3ff3117p27dodr//qq6/qu+++09WrVyXdCmQvvPCCPDw8JN0anXvyySdVpkwZeXh4qHv37rp06dLfnleSkpKSdObMGTVs2NDS5uTklO0zHz16VF27dlXFihXl6emp8uXLS7oVcu/W8ePHlZGRYfXdFSpUSA0aNLB8d7f99fGE22tEnz9//q6vdS/uKxSmpqbKzc0tW3tiYiKTTQAABUZSUpLNn+TkZEm3glVSUpLBld6fypUry2Qy2ZxM8r9yusV8J/7+/jpy5Ig++eQTFS5cWAMGDFDTpk2VkZEhDw8P7dq1SwsXLlSpUqU0ZswYBQQE6MqVKzbPd3tE8JtvvtHRo0e1efNmy63j+Ph4tW3bVnXq1NH333+vnTt3aubMmZJkWSnFHtq1a6fExETNmTNHW7du1datW+1+jb/662Qek8kkSXec7f5P3FcobNKkib788r9T7E0mk7KysjR58mS1aNHCbsUBAGCkJUuW3PFHkjw9PW0+N/ag8/HxUUhIiGbOnKnU1NRs++8U0CSpevXq2rx5s1Xb5s2brd74UrhwYbVr104zZszQhg0bFBsbq/3790u6NRLXqlUrTZ48Wfv27VN8fPwdb8t7eHjohRdeUHR0tObOnasqVaqoSZMmkqSdO3cqKytLU6dO1eOPP64qVaroP//5z91+FSpatKhKlSplCXmSdPPmTe3cudOyfenSJR05ckSjRo3Sk08+qerVq+vy5ctW53F2dpZ0a9KKLbcn5vz1u8vIyND27dsNfVvOfT1TOGXKFLVs2VI7duxQenq6hg8froMHDyoxMTHbHw4AAPK7a9euWWaYVqpUKce7ZfnVzJkz1bhxYzVo0EDvvPOO6tSpo5s3b2rt2rWaNWtWttuZfzVs2DC9+OKLqlu3rlq1aqUff/xRS5Ys0bp16yTdWiw6MzNTDRs2lJubm7766isVLlxY5cqV04oVK3TixAk1bdpU3t7eWrVqlbKyslS1atU71tunTx81adJEcXFxevPNNy3tjz76qDIyMvTRRx+pXbt22rx5s2bPnn1P38WgQYM0ceJEVa5cWdWqVdO0adOsgrG3t7eKFSumzz77TKVKlVJCQoJGjBhhdY6SJUuqcOHCWr16tR555BG5urpmW46mSJEi6t+/v4YNGyYfHx+VLVtWkydP1rVr1+5raR17ueeRwoyMDIWFhenHH3/UE088ofbt2ys1NVWdOnXS7t27ValSpdyoEwCAPJeWlqbw8HD5+PgoMDBQgYGB8vb21qBBg3LtdmFeq1ixonbt2qUWLVpoyJAhqlWrlp566inFxMRo1qxZdzy2Q4cO+vDDD/X++++rZs2a+vTTTzV37lzLzGwvLy/NmTNHjRs3Vp06dbRu3Tr9+OOPKlasmLy8vLRkyRK1bNlS1atX1+zZs7Vw4ULVrFnzjtd84oknVLVqVSUnJ6tHj/8u1B0QEKBp06Zp0qRJqlWrlr7++mtFRUXd03cxZMgQde/eXT179lRwcLA8PDzUsWNHy34HBwctWrRIO3fuVK1atRQeHq4pU6ZYncPJyUkzZszQp59+qtKlS6t9+/Y5XmvixInq3Lmzunfvrnr16unYsWNas2aNvL2976lmezKZ72NxwRIlSmjLli2qXLlybtSUq5KTk1W0aFElJSXJ09PT6HKyyeuV7/FwWuox5e87Af9A2TH7jS7BLgYPHqzvv/9eU6ZMsUwK2LJli4YOHaqOHTtqxowZBlcI2M99PVP4yiuv6IsvvrB3LQAAPFAWLlyozz//XC+99JL8/f3l7++vLl266IsvvtDixYuNLg+wq/t6pvDmzZuKjo7WunXrVL9+/Wyzke713YMAADyIrl69Kn9//2ztZcuWtcw+BgqK+wqFBw4cUL169SRJf/zxh9W+29OlAQDI74KCgjR58mR9/vnncnK69VfmzZs3NWnSpGzr1wH53X2FwtuvrwEAoCCbPn26nn76aVWoUEGPPfaYpFuvMbt+/Xq2N10A+d19PVMIAMDDoF69ejp+/LgiIiLk4+MjHx8fhYeH6/jx44wUosC5r5FCAAAeFkWLFlV4eLjRZQC5jlAIAIANv/766x33N2vWLI8qAXIfoRAAABtatmwps9mcbRLl7SV+c+sdtIAReKYQAAAbLl++rCtXrujy5cu6fPmyzp8/r5iYGD3++OOWV7kBBQWhEAAAGzw9Pa1+ihUrpubNm2vy5MlW793FrSXpli1bZnQZd2Xs2LEKDAw0uowHDrePAQC4R8WLF9ehQ4fuqm/CO7VzuRpr9/qKwV69eunKlSv5JtA9qObNm6fBgwfrypUrNvs0b978js+pNmvWTBs2bLiv6zdv3lyBgYGaPn36fR0vEQoBALBp7969Vttms1lnzpzRxIkTGWnCPVuyZInS09MlSadPn1aDBg20bt061axZU5Lk7OxsZHncPgYAwJZ69eqpbt26qlevnurVq6f69eurbdu2ysrK0rx584wuL1c0b95cYWFhGj58uHx8fOTn56exY8da9Tl69KiaNm0qV1dX1ahRQ2vXrs12ntOnT+vFF1+Ul5eXfHx81L59e8XHx1v29+rVSx06dNC4ceNUokQJeXp66vXXX7eEJunWRJ6oqChVqFBBhQsXVkBAgL777jvL/g0bNshkMikmJkZBQUFyc3NTo0aNdOTIEataJk6cKF9fX3l4eKhPnz66ceNGtno///xzVa9eXa6urqpWrZo++eQTy774+HiZTCYtWbJELVq0kJubmwICAhQbG2upo3fv3kpKSpLJZJLJZMr2nUmyfJ9+fn4qUaKEJKlYsWKWtkOHDqlJkyYqXLiw/P39FRYWptTUVMvxn3zyiSpXrixXV1f5+vrq+eeft3yXv/76qz788EPL9f/6Xd8tQiEAADacPHlS8fHxOnnypE6ePKlTp07p+vXr2rhxoypXrmx0eblm/vz5KlKkiLZu3arJkyfrnXfesQS/rKwsderUSc7Oztq6datmz56d7fnKjIwMhYSEyMPDQxs3btTmzZvl7u6u1q1bW4W+mJgYxcXFacOGDVq4cKGWLFmicePGWfZHRUXpyy+/1OzZs3Xw4EGFh4frlVdeyXYL9u2339bUqVO1Y8cOOTk56dVXX7Xs++abbzR27Fi999572rFjh0qVKmUV+CTp66+/1pgxYzRhwgTFxcXpvffe0+jRozV//vxs1xk6dKj27NmjKlWqqGvXrrp586YaNWqk6dOny9PTU2fOnNGZM2c0dOjQe/rOjx8/rtatW6tz587at2+fFi9erE2bNik0NFSStGPHDoWFhemdd97RkSNHtHr1ajVt2lSS9OGHHyo4OFj9+vWzXD+nd3b/HW4fAwBgQ9myZe+4/8qVK+rYsWOBe/1rnTp1FBkZKUmqXLmyPv74Y8XExOipp57SunXrdPjwYa1Zs0alS5eWJL333nt65plnLMcvXrxYWVlZ+vzzzy3L+cydO1deXl7asGGDnn76aUm3bpdGR0fLzc1NNWvW1DvvvKNhw4Zp/PjxysjI0Hvvvad169YpODhYklSxYkVt2rRJn376qdUakRMmTLBsjxgxQm3atNGNGzfk6uqq6dOnq0+fPurTp48k6d1339W6deusRgsjIyM1depUderUSZJUoUIFHTp0SJ9++ql69uxp6Td06FC1adNGkjRu3DjVrFlTx44dU7Vq1VS0aFGZTCb5+fnd13ceFRWlbt26afDgwZbvfcaMGWrWrJlmzZqlhIQEFSlSRG3btpWHh4fKlSununXrSrq1wLqzs7Pc3Nzu+/oSoRAAgPuWnp7+twtc50d16tSx2i5VqpTOnz8vSYqLi5O/v78lEEqyhLbb9u7dq2PHjsnDw8Oq/caNGzp+/LhlOyAgQG5ublbnSUlJ0enTp5WSkqJr167pqaeesjpHenq6JQzlVG+pUqUkSefPn1fZsmUVFxen119/3ap/cHCwJcinpqbq+PHj6tOnj/r162fpc/PmTRUtWvSurlOtWjX9U3v37tW+ffv09ddfW9rMZrOysrJ08uRJPfXUUypXrpwqVqyo1q1bq3Xr1urYsaPV9/dPEQoBAICVQoUKWW2bTKZ7Wqg7JSVF9evXtwo4t91+lu5uziFJK1euVJkyZaz2ubi42Kz39sjk3dZ7+zpz5sxRw4YNrfY5Ojra7Tp3U8e//vUvhYWFZdtXtmxZOTs7a9euXdqwYYN+/vlnjRkzRmPHjtX27dvl5eVllxoIhQAA2HDq1Kk77r9w4UIeVfLgqF69uk6fPq0zZ85YRst+//13qz716tXT4sWLVbJkSXl6eto81969e3X9+nUVLlzYch53d3f5+/vLx8dHLi4uSkhI+EevE6xevbq2bt2qHj16WNr+Wq+vr69Kly6tEydOqFu3bvd9HWdnZ2VmZt738fXq1dOhQ4f06KOP2uzj5OSkVq1aqVWrVoqMjJSXl5fWr19vecbzn1xfIhQCAGBTxYoVLa+0y8n/vv7uYdCqVStVqVJFPXv21JQpU5ScnKy3337bqk+3bt00ZcoUtW/fXu+8844eeeQRnTp1SkuWLNHw4cP1yCOPSLp1K7hPnz4aNWqU4uPjFRkZqdDQUDk4OMjDw0NDhw5VeHi4srKy9MQTTygpKUmbN2+Wp6en1bN+dzJo0CD16tVLQUFBaty4sb7++msdPHhQFStWtPQZN26cwsLCVLRoUbVu3VppaWnasWOHLl++rIiIiLu6Tvny5ZWSkqKYmBjLbfF7ubX75ptv6vHHH1doaKj69u2rIkWK6NChQ1q7dq0+/vhjrVixQidOnFDTpk3l7e2tVatWKSsrS1WrVrVcf+vWrYqPj5e7u7t8fHzk4HBv84kfiNnHM2fOVPny5eXq6qqGDRtq27Ztd3XcokWLZDKZ1KFDh9wtEADwUNq9e7f27Nlj8ycmJsboEvOcg4ODli5dquvXr6tBgwbq27evJkyYYNXHzc1Nv/32m8qWLatOnTqpevXqlqVg/jpy+OSTT6py5cpq2rSpunTpoueee85qKZfx48dr9OjRioqKUvXq1dW6dWutXLlSFSpUuOt6u3TpotGjR2v48OGqX7++Tp06pf79+1v16du3rz7//HPNnTtXtWvXVrNmzTRv3rx7uk6jRo30+uuvq0uXLipRooQmT55818dKt55X/PXXX/XHH3+oSZMmqlu3rsaMGWN5dtPLy0tLlixRy5YtVb16dc2ePVsLFy60rHE4dOhQOTo6qkaNGipRooQSEhLu6fqSZDLf6Z9AeWDx4sXq0aOHZs+erYYNG2r69On69ttvdeTIEZUsWdLmcfHx8XriiSdUsWJF+fj43PVK7MnJySpatKiSkpLuOKRtlPrDvjS6BDwElnpMMboEFHD3+laN/Or8+fPy8/Oz23NlDxPepPLgMfz28bRp09SvXz/17t1bkjR79mytXLlS0dHRGjFiRI7HZGZmqlu3bho3bpw2btx4x1fKAADwT9y8eVPHjh3ThQsXrMKf2WxWjRo1HspbyCiYDA2F6enp2rlzp0aOHGlpc3BwUKtWrSyrhOfknXfeUcmSJdWnTx9t3LgxL0oFADyEYmNj9dJLL+n06dPZwp/ZbNalS5f+0SQI4EFiaCi8ePGiMjMz5evra9Xu6+urw4cP53jMpk2b9MUXX2jPnj13dY20tDSlpaVZtpOTk++7XgDAw6V///4KDg7WmjVrVKpUqWzB0NPTU+vXrzeouvytoL4mMD8z/Pbxvbh69aq6d++uOXPmqHjx4nd1TFRUlNUrcwAAuFtHjx7Vd999d8dlQoCCwtBQWLx4cTk6OurcuXNW7efOncvxNS3Hjx9XfHy82rVrZ2m7/XyHk5OTjhw5okqVKlkdM3LkSKvp5MnJyff1PkAAwMPnscce05EjRwiFeCgYGgqdnZ1Vv359xcTEWJaVycrKUkxMjOUF0H9VrVo17d9vPaNt1KhRunr1qj788MMcw56Li0u2lc8BALgbYWFhGjp0qP7zn/+obt262d70ERAQYFBlgP0Zfvs4IiJCPXv2VFBQkBo0aKDp06crNTXVMhu5R48eKlOmjKKiouTq6qpatWpZHX/71S7/2w4AwD/1wgsvSFK2d+dK/30vLVBQGB4Ku3TpogsXLmjMmDE6e/asAgMDtXr1asvkk4SEhHtekRsAAHs4efKk0SUAecbwxavzGotXAyxejdxX0BevzsjI0JYtW1iOBgWK4SOFAAA8yGJjYxUfH6/09HRLW1JSkgYPHqzo6GiZTKa7fg8v8CAjFAIAYMPAgQM1e/Zsubu7y9HR0dJuNptlMpkUEREhs9lMKESBQCgEAMCGb775RmvXrlXLli2t2i9cuCBfX18lJiYaVBlgf8zgAADAhsTExByXnbk9UggUJIRCAABsiIyMlJubW7Z2d3d3RUZGGlARkHu4fQwAgA1jxoyRJB07dkxxcXGSpOrVq+vRRx+17AMKCkIhAAA2XLlyRb1799by5cvl5HTrr8yMjAy1a9dO8+fPt7xAASgIuH0MAIANgwcP1rFjx7R582bduHFDN27cUGxsrI4fP66wsDCjywPsipFCAABsWL58uX788Uc9/vjjlraGDRvqs88+U9u2bQ2sDLA/RgoBALAhPT1d7u7u2do9PDyUlpZmQEVA7iEUAgBgQ7NmzTRixAhdunTJ0paYmKjhw4fzijsUONw+BgDAhhkzZqhNmzYqW7asqlatKkk6cuSIypQpo1WrVhlcHWBfhEIAAGyoVKmSDh48qOXLl+vgwYOSbi1J06FDB6vX3gEFAaEQAIA7cHR0VMeOHdWxY0ejSwFyFaEQAAAb5s+ff8f9PXv2zKNKgNxHKAQAwIbw8HCr7evXrys9PV1OTk5yc3MjFKJAYfYxAAA2JCYmWv1cv35de/fuVYMGDfTll18aXR5gV4RCAADuQa1atTRlyhSNGDHC6FIAuyIUAgBwj4oVK6ajR48qKyvL6FIAuyEUAgBwjx555BEdO3ZMJpPJ6FIAu2GiCQAANvTu3fuO++fOnaurV68qLCxMc+fOzaOqgNxBKAQAwIakpKS/7WM2m++qH/CgIxQCAGDDkiVL/raPp6fnXfUDHnQ8UwgAwB2YzWYlJiYaXQaQ6wiFAADYsH79epUsWVLFixdXtWrVdOzYMUm3RhDXrFljcHWAfREKAQCwISwsTM8++6w2btyoChUqaMyYMZIkBwcHvfvuuwZXB9gXzxQCAGDDiRMn9MMPP6hSpUoaPny4+vbtK0kKCAjQgQMHDK4OsC9GCgEAsKFq1ao6deqUJKl06dK6ePGiJOnq1atydHQ0sjTA7giFAADYMGPGDI0cOVKbNm1SVlaWsrKydPHiRY0ZM0bBwcFGlwfYFbePAQCwoXnz5pKkpk2bSpJMJpNKliyp2rVra+nSpQZWBtgfoRAAABv+N/g5OzurbNmyqlGjhkEVAbmHUAgAgA3PPfec0SUAeYZQCACADbcnmdyNcuXK5WIlQO4jFAIAYEPFihVlNpvv2MdkMslsNisrKyuPqgJyB6EQAAAbdu/ebXQJQJ4hFAIAYEOdOnWMLgHIM4RCAABsuNtnCnmeEAUBoRAAABtyeqbQZDJJklU7zxOiICAUAgBgg61nCjMyMrR8+XLNnz9ff/75Zx5XBeQOQiEAADb87zOFBw4cUHR0tL7++mt5e3urf//+6tGjh0HVAfZFKAQA4A6ysrL02WefKTo6WkeOHNELL7ygpUuXqlGjRkaXBtgVoRAAgDu4cuWKBg4cqGbNmumPP/6Qr6+v0SUBucLB6AIAAHiQeXl5afbs2bp27ZoqV66sPn36aNOmTUaXBdgdoRAAgDtwcHBQv3799Pvvv2vr1q3y9vbW888/r2rVqmnSpEk6e/as0SUCdsHtYwAAbNi7d2+2tu7du6tr16768ccfNWvWLL399tu6efOmAdUB9kUoBADAhnr16slsNlvWJpT+uz7hX9uAgoBQCACADSdPnjS6BCDPEAoBALChbNmyRpcA5BlCIQAAd/Cf//xHn3zyieLi4iRJ1apV08CBA1W6dGmDKwPsi9nHAADYsHHjRlWtWlVLliyRl5eXvLy8tHTpUlWpUkW//vqr0eUBdsVIIQAANgwbNky9evXSRx99ZNUeFham4cOHa+vWrQZVBtgfI4UAANiwd+9ehYaGZmsPDQ3NcbkaID8jFAIAYIOPj48OHz6crf3w4cPy8fExoCIg93D7GAAAG3r16qV+/frpzz//1BNPPCFJ2rx5syIjI9WnTx+DqwPsi1AIAIAN48ePl6urq9566y1dvXpVkuTu7q4hQ4Zo1KhRBlcH2BehEAAAGxwcHDR69GiNHj1a//73vyVJjzzyiMFVAbmDUAgAwN9ITU1VYmKiJMnb21tFihQxuCLA/phoAgCADampqRowYIB8fHxUt25d1a1bV8WKFdOAAQN07do1o8sD7IqRQgAAbBgwYIA2btyoBQsWqGHDhpKkbdu2aciQIUpJSdGXX35pcIWA/RAKAQCwYcmSJVq+fLlatGhhaXvkkUfk4+Ojdu3aGVgZYH/cPgYAwAYPDw+VKFEiW3uJEiXk6elpQEVA7iEUAgBgw+2lZy5fvmxpu3z5skaOHKkhQ4YYWBlgf9w+BgDAhpUrV2rnzp3y9/dXlSpVJElHjhyRk5OTrl69qh9//NHS95dffjGqTMAuCIUAANgQGBiowMBAq7bmzZsbUguQ2wiFAADYMG3aNKNLAPIMoRAAgL9x9OhR7d69W+7u7qpVq5bKli1rdEmA3REKAQCwITMzU7169dKCBQvk6OiomzdvytHRUb169dLMmTPl7OxsdImA3TD7GAAAG959911t2bJFv/32mw4dOiR3d3edPn1ahw8f1ltvvWV0eYBdEQoBALDhyy+/1Pvvv6/GjRvLwcFBZrNZfn5+mjRpkhYtWmR0eYBdEQoBALDhzz//VN26dbO1lypVSleuXMn7goBcRCgEAMCG4sWL6/z589naly5dqtq1axtQEZB7HohQOHPmTJUvX16urq5q2LChtm3bZrPvnDlz1KRJE3l7e8vb21utWrW6Y38AAO7X448/rvXr11u209PT9dRTT2nUqFGaOHGigZUB9md4KFy8eLEiIiIUGRmpXbt2KSAgQCEhITn+y0ySNmzYoK5du+qXX35RbGys/P399fTTT+vPP//M48oBAAXduHHjFBAQIElyd3dXp06d1LBhQ+3fv1/NmjUzuDrAvkxms9lsZAENGzbUY489po8//liSlJWVJX9/f73xxhsaMWLE3x6fmZkpb29vffzxx+rRo8ff9k9OTlbRokWVlJT0QL7MvP6wL40uAQ+BpR5TjC4BBVzZMfuNLgHAPTJ0ncL09HTt3LlTI0eOtLQ5ODioVatWio2NvatzXLt2TRkZGfLx8clxf1pamtLS0izbycnJ/6xoAMBDY/78+Xfdt2fPnrlYCZD7DA2FFy9eVGZmpnx9fa3afX19dfjw4bs6x5tvvqnSpUurVatWOe6PiorSuHHj/nGtAICHT3h4+F31M5vNhELke/n6jSYTJ07UokWLtGHDBrm6uubYZ+TIkYqIiLBsJycny9/fP69KBADkY4mJiUaXAOQZQ0Nh8eLF5ejoqHPnzlm1nzt3Tn5+fnc89v3339fEiRO1bt061alTx2Y/FxcXubi42KVeAACAgsrQ2cfOzs6qX7++YmJiLG1ZWVmKiYlRcHCwzeMmT56s8ePHa/Xq1QoKCsqLUgEAAAo0w28fR0REqGfPngoKClKDBg00ffp0paamqnfv3pKkHj16qEyZMoqKipIkTZo0SWPGjNGCBQtUvnx5nT17VtKtpQLc3d0N+xwAAAD5meGhsEuXLrpw4YLGjBmjs2fPKjAwUKtXr7ZMPklISJCDw38HNGfNmqX09HQ9//zzVueJjIzU2LFj87J0AACAAsPwdQrzGusUAqxTiNzHOoVA/mP4G00AAABgPEIhAAAACIUAAAAgFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAAD0goXDmzJkqX768XF1d1bBhQ23btu2O/b/99ltVq1ZNrq6uql27tlatWpVHlQIAABRMhofCxYsXKyIiQpGRkdq1a5cCAgIUEhKi8+fP59h/y5Yt6tq1q/r06aPdu3erQ4cO6tChgw4cOJDHlQMAABQcJrPZbDaygIYNG+qxxx7Txx9/LEnKysqSv7+/3njjDY0YMSJb/y5duig1NVUrVqywtD3++OMKDAzU7Nmz//Z6ycnJKlq0qJKSkuTp6Wm/D2In9Yd9aXQJeAgs9ZhidAko4MqO2W90CQDukaEjhenp6dq5c6datWplaXNwcFCrVq0UGxub4zGxsbFW/SUpJCTEZn8AAAD8PScjL37x4kVlZmbK19fXqt3X11eHDx/O8ZizZ8/m2P/s2bM59k9LS1NaWpplOykpSdKtEcMHUWbadaNLwEPgaqFMo0tAAfeg/j/2Ng8PD5lMJqPLAB4ohobCvBAVFaVx48Zla/f39zegGuDBUMvoAlDwRRU1uoI7elAfIQKMZGgoLF68uBwdHXXu3Dmr9nPnzsnPzy/HY/z8/O6p/8iRIxUREWHZzsrKUmJioooVK8a/EvFQSk5Olr+/v06fPs1finhoeXh4GF0C8MAxNBQ6Ozurfv36iomJUYcOHSTdCm0xMTEKDQ3N8Zjg4GDFxMRo8ODBlra1a9cqODg4x/4uLi5ycXGxavPy8rJH+UC+5unpSSgEAFgYfvs4IiJCPXv2VFBQkBo0aKDp06crNTVVvXv3liT16NFDZcqUUVRUlCRp0KBBatasmaZOnao2bdpo0aJF2rFjhz777DMjPwYAAEC+Zngo7NKliy5cuKAxY8bo7NmzCgwM1OrVqy2TSRISEuTg8N9J0o0aNdKCBQs0atQovfXWW6pcubKWLVumWrV4SgoAAOB+Gb5OIYC8lZaWpqioKI0cOTLboxUAgIcXoRAAAADGv+YOAAAAxiMUAgAAgFAI5Gfx8fEymUzas2eP0aUAAPI5QiHwAOvVq5dMJpPlp1ixYmrdurX27dsn6dabec6cOcPsewDAP0YoBB5wrVu31pkzZ3TmzBnFxMTIyclJbdu2lSQ5OjrKz89PTk65u7pUenp6rp4fAGA8QiHwgHNxcZGfn5/8/PwUGBioESNG6PTp07pw4UK228cbNmyQyWRSTEyMgoKC5ObmpkaNGunIkSOW8x0/flzt27eXr6+v3N3d9dhjj2ndunVW1yxfvrzGjx+vHj16yNPTU6+99ppatmyZ7U1DFy5ckLOzs2JiYnL9ewAA5C5CIZCPpKSk6KuvvtKjjz6qYsWK2ez39ttva+rUqdqxY4ecnJz06quvWp3j2WefVUxMjHbv3q3WrVurXbt2SkhIsDrH+++/r4CAAO3evVujR49W3759tWDBAqWlpVn6fPXVVypTpoxatmxp/w8LAMhThr/RBMCdrVixQu7u7pKk1NRUlSpVSitWrLB608//mjBhgpo1ayZJGjFihNq0aaMbN27I1dVVAQEBCggIsPQdP368li5dquXLl1uNBLZs2VJDhgyxbJcpU0ahoaH64Ycf9OKLL0qS5s2bZ3nuEQCQvzFSCDzgWrRooT179mjPnj3atm2bQkJC9Mwzz+jUqVM2j6lTp47l16VKlZIknT9/XtKtkcKhQ4eqevXq8vLykru7u+Li4rKNFAYFBVltu7q6qnv37oqOjpYk7dq1SwcOHFCvXr3s8TEBAAZjpBB4wBUpUkSPPvqoZfvzzz9X0aJFNWfOHPXt2zfHYwoVKmT59e1RvKysLEnS0KFDtXbtWr3//vt69NFHVbhwYT3//PPZJpMUKVIk23n79u2rwMBA/fvf/9bcuXPVsmVLlStX7h9/RgCA8QiFQD5jMpnk4OCg69ev39fxmzdvVq9evdSxY0dJt0YO4+Pj7+rY2rVrKygoSHPmzNGCBQv08ccf31cNAIAHD6EQeMClpaXp7NmzkqTLly/r448/VkpKitq1a3df56tcubKWLFmidu3ayWQyafTo0ZZRxLvRt29fhYaGqkiRIpZgCQDI/3imEHjArV69WqVKlVKpUqXUsGFDbd++Xd9++62aN29+X+ebNm2avL291ahRI7Vr104hISGqV6/eXR/ftWtXOTk5qWvXrnJ1db2vGgAADx6T2Ww2G10EgPwjPj5elSpV0vbt2+8pTAIAHmyEQgB3JSMjQ5cuXdLQoUN18uRJbd682eiSAAB2xO1jAHdl8+bNKlWqlLZv367Zs2cbXQ4AwM4YKQQAAAAjhQAAACAUAgAAQIRCAAAAiFAIAAAAEQoBAAAgQiFQIJlMJi1btszoMgAA+QihEMiHzp49qzfeeEMVK1aUi4uL/P391a5dO8XExBhdGgAgn3IyugAA9yY+Pl6NGzeWl5eXpkyZotq1aysjI0Nr1qzRwIEDdfjwYaNLBADkQ4wUAvnMgAEDZDKZtG3bNnXu3FlVqlRRzZo1FRERod9//z3HY958801VqVJFbm5uqlixokaPHq2MjAzL/r1796pFixby8PCQp6en6tevrx07dkiSTp06pXbt2snb21tFihRRzZo1tWrVqjz5rACAvMNIIZCPJCYmavXq1ZowYYKKFCmSbb+Xl1eOx3l4eGjevHkqXbq09u/fr379+snDw0PDhw+XJHXr1k1169bVrFmz5OjoqD179qhQoUKSpIEDByo9PV2//fabihQpokOHDsnd3T3XPiMAwBiEQiAfOXbsmMxms6pVq3ZPx40aNcry6/Lly2vo0KFatGiRJRQmJCRo2LBhlvNWrlzZ0j8hIUGdO3dW7dq1JUkVK1b8px8DAPAA4vYxkI/c76vKFy9erMaNG8vPz0/u7u4aNWqUEhISLPsjIiLUt29ftWrVShMnTtTx48ct+8LCwvTuu++qcePGioyM1L59+/7x5wAAPHgIhUA+UrlyZZlMpnuaTBIbG6tu3brp2Wef1YoVK7R79269/fbbSk9Pt/QZO3asDh48qDZt2mj9+vWqUaOGli5dKknq27evTpw4oe7du2v//v0KCgrSRx99ZPfPBgAwlsl8v0MPAAzxzDPPaP/+/Tpy5Ei25wqvXLkiLy8vmUwmLV26VB06dNDUqVP1ySefWI3+9e3bV999952uXLmS4zW6du2q1NRULV++PNu+kSNHauXKlYwYAkABw0ghkM/MnDlTmZmZatCggb7//nsdPXpUcXFxmjFjhoKDg7P1r1y5shISErRo0SIdP35cM2bMsIwCStL169cVGhqqDRs26NSpU9q8ebO2b9+u6tWrS5IGDx6sNWvW6OTJk9q1a5d++eUXyz4AQMHBRBMgn6lYsaJ27dqlCRMmaMiQITpz5oxKlCih+vXra9asWdn6P/fccwoPD1doaKjS0tLUpk0bjR49WmPHjpUkOTo66tKlS+rRo4fOnTun4sWLq1OnTho3bpwkKTMzUwMHDtS///1veXp6qnXr1vrggw/y8iMDAPIAt48BAADA7WMAAAAQCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgKT/B7l82DFlLztFAAAAAElFTkSuQmCC",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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++OMPNW7cWHXq1FFkZKTlv7MSJUpowYIF+uabb1S9enVNnDhR77333j3XAQD2YjL//SEcwADdunXT5cuXtXz58jy9bnJyskqXLq358+frhRdeyNVrLViwQAMGDMiz18ABAHAveKYQD6XMzEydP39eU6dOlZeXl5577jmjSwIAwFDcPsZDKTExUb6+vlq0aJHmzZuXZQY17s8zzzyT4wW+jZIfawYAe+L2MQC7+/PPP3X9+vVs9/n4+PzjhBwj5MeaAcCeDA2Fv/76q6ZMmaKdO3fq1KlTWrZsmdq1a3fHYzZs2KCIiAgdOHBAAQEBGj16dLavhQIAAMDdM/T2cUpKigIDAzVz5sy76n/8+HG1bt1azZs31549ezRgwAD16tVLa9asyeVKAQAACrYH5vaxyWT6x5HCYcOGaeXKldq/f7+l7dVXX9Xly5e1evXqPKgSAACgYMpXE01iY2Ot3o0qSaGhoYqNjbV5TGpqqpKSkiw/V65c0blz57K8DgsAAOBhlq9C4enTp63egCFJvr6+SkpKsvmAeHR0tIoWLWr58fLyUsmSJXX16tW8KBkAACBfyFehMCdGjBihK1euWH5OnjxpdEkAAAAPnHy1OJufn5/OnDlj1XbmzBl5enrKzc0t22NcXFzk4uKSF+UBAADkW/lqpDAkJEQxMTFWbWvXrlVISIhBFQEAABQMhobC5ORk7dmzR3v27JF0a8mZPXv2KDExUdKtW79dunSx9H/zzTd17NgxDR06VIcOHdLHH3+sr7/+WgMHDjSifAAAgALD0FC4Y8cO1alTR3Xq1JEkRUREqE6dOoqMjJQknTp1yhIQJal8+fJauXKl1q5dq8DAQE2dOlVz585VaGioIfUDAAAUFA/MOoV5JSkpSUWLFtWVK1fk6elpdDkAAAAPhHz1TCEAAAByB6EQAAAAhEIAAAAQCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAkpyMLgDIKbPZrJSUFMt2kSJFZDKZDKwIAID8i1CIfCslJUXPP/+8Zfs///mP3N3dDawIAID8i9vHAAAAIBQCAACAUAgAAAARCgEAACAmmjxw6g353OgS8g3TzTQV/ct2szFfyezkbFg9+cnOKV2MLgEA8IBhpBAAAACEQgAAAHD7GHgoJb5dy+gSUMCVidxndAkA7hEjhQAAAGCkEPmX2bGQrtTuaLUNAAByhlCI/MtkYrYxAAB2wu1jAAAAEAoBAABAKAQAAIAIhQAAABChEAAAACIUAgAAQIRCAAAAiFAIAAAAEQoBAAAgQiEAAABEKAQAAIAIhQAAABChEAAAACIUAgAAQIRCAAAAiFAIAAAAEQoBAACgByAUzpw5U+XKlZOrq6saNGigbdu23bH/9OnTVaVKFbm5uSkgIEADBw7UjRs38qhaAACAgsnQULhkyRJFREQoKipKu3btUmBgoEJDQ3X27Nls+y9atEjDhw9XVFSU4uLi9Nlnn2nJkiUaOXJkHlcOAABQsBgaCqdNm6bevXure/fuql69umbPnq3ChQtr3rx52fbfsmWLGjVqpNdee03lypXT008/rY4dO/7j6CIAAADuzLBQmJaWpp07d6ply5b/K8bBQS1btlRsbGy2xzRs2FA7d+60hMBjx45p1apVevbZZ/OkZgAAgILKyagLnz9/XhkZGfL19bVq9/X11aFDh7I95rXXXtP58+f1xBNPyGw26+bNm3rzzTfvePs4NTVVqamplu2kpCT7fAAAAIACxLBQmBMbNmzQu+++q48//lgNGjTQ0aNH1b9/f40fP15jxozJ9pjo6GiNGzcujysFABQE3bt3/8c+ZrNZCxYsyP1igFxmWCgsXry4HB0ddebMGav2M2fOyM/PL9tjxowZo86dO6tXr16SpFq1aiklJUVvvPGGRo0aJQeHrHfDR4wYoYiICMt2UlKSAgIC7PhJAAAF1ZUrV2zuM5vN2r17txITEwmFKBAMC4XOzs6qV6+eYmJi1K5dO0lSZmamYmJiFBYWlu0x165dyxL8HB0dJd36H2d2XFxc5OLiYr/CAQAPjaVLl2ZpO3/+vL788kvNmzdPSUlJevPNNw2oDLA/Q28fR0REqGvXrgoODlb9+vU1ffp0paSkWIbru3TpotKlSys6OlqS1LZtW02bNk116tSx3D4eM2aM2rZtawmHAADYW2ZmplavXq358+frhx9+0BNPPKHhw4frhRdeYOABBYahobBDhw46d+6cIiMjdfr0aQUFBWn16tWWySeJiYlWI4OjR4+WyWTS6NGj9eeff6pEiRJq27atJkyYYNRHAAAUcMnJyapataqcnZ3VrVs3TZs2jceQUCAZPtEkLCzM5u3iDRs2WG07OTkpKipKUVFReVAZAAC3ODo6ymQyyWw2KzMz0+hygFxh+GvuAAB4kLm7uyshIUEff/yxDhw4oOrVq+upp57S4sWLrZY8A/I7QiEAAP/AZDIpNDRUX3/9tU6ePKm2bdtq8uTJ8vf3V79+/YwuD7ALw28fAwDwoGrfvr3NfeXLl9fly5c1a9YszZw5Mw+rAnIHoRAAABu8vb3vuL958+Z5VAmQ+wiFAADYMG/ePKNLAPIMoRAAgH9w7do1xcfHS5IqVqyowoULG1wRYH9MNAEAwIbU1FQNHDhQPj4+CgoKUlBQkLy9vdW/f3+lpaUZXR5gV4wUAgBgw7Bhw/Tdd99pwYIFatSokSRpy5YtGjx4sMxms2bMmGFwhYD9EAoBALBh8eLF+vzzzxUaGmpp69Chg7y9vdW5c2dCIQoUbh8DAGDD1atXs32lXZkyZZSUlGRARUDuIRQCAGBDcHCwJk+erJs3b1rabt68qUmTJik4ONjAygD74/YxAAA2TJ8+XU8//bTKly+vxx57TJK0bds2Xb9+XWvWrDG4OsC+GCkEAMCGunXrKj4+XhEREfLx8ZGPj48GDhyo+Ph4RgpR4DBSCADAHRQtWlQDBw40ugwg1xEKAQC4g5MnT2r27NmKi4uTJFWtWlV9+/bVI488YnBlgH1x+xgAABtWrVqlypUr6/vvv7fcPv7+++9VqVIlrVq1yujyALtipBAAABsGDhyot956S5MnT7ZqHzp0qAYOHKhnn33WoMoA+2OkEAAAG06ePKlevXplae/du7dOnjxpQEVA7iEUAgBgQ/369bVjx44s7Tt27FBISIgBFQG5h9vHAADY0L17dw0ePFj79u2zhMDY2FgtWLBAEydO1C+//GLp27RpU6PKBOzCZDabzUYXkZeSkpJUtGhRXblyRZ6enkaXk0W9IZ8bXQIeAss8phhdAgq4MpH7jC7BLhwdHe+qn9lsVmZmZi5XA+QuRgoBALDh0qVLRpcA5BlCIQAANjyId5SA3MJEEwAA7mDfvn16/fXXVb16ddWvX1+9e/dWfHy80WUBdkcoBADAhp07dyokJERnz57V008/rX379snJyUlBQUHatGmT0eUBdkUoBADAhlGjRql79+766aef1L9/fzk5OWnWrFl69913NXLkSKPLA+yKUAgAgA2xsbGWxav/ulhH69ats12/EMjPCIUAANhgNptVpEiRLO1nz55ViRIlDKgIyD2EQgAAbKhYsaIOHDhg2Tabzdq0aZPCwsLUrl074woDcgGhEAAAGzp06KB169ZZtm/cuKFmzZopMDBQ0dHRBlYG2B/rFAIAYMPw4cMtv5cpU0YHDhxQ+fLl5ezsbGBVQO4gFAIAcBecnJxUpUoVo8sAcg2hEAAAGypUqGA16/hOjh8/nsvVALmLUAgAgA0DBgwwugQgzxAKAQCwITw83OgSgDzD7GMAAAAQCgEAAEAoBAAAgAiFAAAAEKEQAAAAIhQCAPCPUlJStGjRoiy/AwUJoRAAgH9w5swZ/etf/8ryO1CQEAoBAABAKAQAAAChEAAAACIUAgAAQIRCAAAAiFAIAAAAEQoBALgrJpMp29+BgoJQCADAPyhdurR+/PHHLL8DBQmhEACAf+Di4qJGjRpl+R0oSAiFAAAAIBQCAACAUAgAAAARCgEAACDJyegCAADID8xms86dOyeTyaTixYuzLA0KHEYKAQC4g0uXLqlv374qVqyY/Pz85Ovrq+LFi6tv3766cuWK0eUBdsNIIQAANly9elVPPPGETp48qU6dOqlq1aqSpMOHD+uLL77Qr7/+qtjYWHl4eBhcKXD/CIUAANgwceJEJScn648//pCfn5/VvqioKNWvX18TJ07UhAkTDKoQsB9uHwMAYMN3332nd955J0sglCRfX19NmDBBS5cuNaAywP4IhQAA2HDixAkFBwfb3B8cHKyEhIS8KwjIRYRCAABs8Pb2VqFChWzud3Jykre3dx5WBOQeQiEAADbUqlVLv/76q839GzZsUM2aNfOwIiD3EAoBALAhLCxMkyZNUkpKSpZ9165d0+TJk9WnTx8DKgPsj9nHAADY0LZtWzVt2lRubm5Z9rm6umrHjh3y9PQ0oDLA/giFAADcga3Q5+DgQCBEgUIoBADAhgoVKshsNt9V3+PHj+dyNUDuIhQCAGDDgAEDjC4ByDOEQgAAbAgPDze6BCDPMPsYAIA7+P3337V06VKdOHHC6FKAXEUoBADAhg8++EB16tTRa6+9pqpVq2rdunWSpBkzZuj99983uDrAvgwPhTNnzlS5cuXk6uqqBg0aaNu2bXfsf/nyZfXr10/+/v5ycXFR5cqVtWrVqjyqFgDwMJkyZYref/993bhxQ/369dPEiRMlSYGBgZo/f77B1QH2ZWgoXLJkiSIiIhQVFaVdu3YpMDBQoaGhOnv2bLb909LS9NRTTykhIUHffvutDh8+rDlz5qh06dJ5XDkA4GFw+fJltW3bVpL0yiuv6NChQ5Kk8uXL69ixY0aWBtidoRNNpk2bpt69e6t79+6SpNmzZ2vlypWaN2+ehg8fnqX/vHnzdPHiRW3ZssXyLspy5crlZckAgIdIkyZNtGnTJpUvX14+Pj5KSkqSJB07dkw+Pj4GVwfYl2EjhWlpadq5c6datmz5v2IcHNSyZUvFxsZme8yKFSsUEhKifv36ydfXVzVr1tS7776rjIwMm9dJTU1VUlKS1Q8AAHejU6dOGjlypN555x1t3LhRN2/e1Hfffae+fftaRhCBgsKwkcLz588rIyNDvr6+Vu2+vr6W4fm/O3bsmNavX69OnTpp1apVOnr0qPr27av09HRFRUVle0x0dLTGjRtn9/oBAAVfly5dJMnq75g+ffrolVde0aRJk4wqC8gV+WqdwszMTJUsWVKffvqpHB0dVa9ePf3555+aMmWKzVA4YsQIRUREWLaTkpIUEBCQVyUDAPKxS5cuWW07OzvL1dXVoGqA3GVYKCxevLgcHR115swZq/YzZ87Iz88v22P8/f1VqFAhOTo6WtqqVaum06dPKy0tTc7OzlmOcXFxkYuLi32LBwA8FHi3MR4mhj1T6OzsrHr16ikmJsbSlpmZqZiYGIWEhGR7TKNGjXT06FFlZmZa2v744w/5+/tnGwgBALgf4eHhGjhwoGX7s88+U2BgoNq0aaPExEQDKwPsz9AlaSIiIjRnzhwtXLhQcXFx6tOnj1JSUiyzkbt06aIRI0ZY+vfp00cXL15U//799ccff2jlypV699131a9fP6M+AgCgAFu9erWeeeYZSdKff/6pPn366KWXXtLNmzcVFhZmcHWAfRn6TGGHDh107tw5RUZG6vTp0woKCtLq1astk08SExPl4PC/3BoQEKA1a9Zo4MCBql27tkqXLq3+/ftr2LBhRn0EAEAB9t///leVK1eWJK1cuVL169fXmDFjdPDgQT3xxBMGVwfYl+ETTcLCwmz+a2vDhg1Z2kJCQvTbb7/lclUAANx6pvDixYsqV66cfvrpJ8syaoULF1ZaWprB1QH2ZXgoBADgQfXMM8+oX79+at68uX744QfLShcHDx5U+fLlDa4OsC/D330MAMCDatq0aSpfvrxWrVqlqVOnqlatWpJujSBOmTLF4OoA+2KkEAAAG7y9vbVo0aIs7TxPiIKIkUIAAGyYMGGC1csRVq9ereeff15hYWG6fPmycYUBuYBQCACADYsXL1a9evUkSRcuXNCLL76oEiVKKDY2luXQUOBw+xgAABsSEhJUo0YNSdKqVatUuXJlzZ07V7t371ZoaKjB1QH2xUghAAA2uLm56caNG5KktWvX6umnn5YkFStWTMnJyUaWBtgdI4UAANjQuHFjjRgxQm3atNG3335reTXr0aNHFRAQYHB1gH0xUggAgA3vv/++zp8/r6FDhyosLEwhISGSpOvXr2vkyJEGVwfYFyOFAADYULZsWW3ZsiVLe+vWrQ2oBshdhEIAAGw4ceLEHfeXLVtWZrNZiYmJKlu2bB5VBeSOHIXC6Oho+fr6qkePHlbt8+bN07lz5zRs2DC7FAcAgJEqVKggs9ksk8kks9lsab+9nZmZqXPnzql8+fLKzMw0sFLg/uUoFH7yySfZrvBeo0YNvfrqq4RCAECBsHv37n/sU7x4ce3Zsyf3iwFyWY5C4enTp+Xv75+lvUSJEjp16tR9FwUAwIOgdu3a2bbfvmUsSQ4ODjb7AflJjmYfBwQEaPPmzVnaN2/erFKlSt13UQAAPMhu3zIGCpIcjRT27t1bAwYMUHp6ulq0aCFJiomJ0dChQzVo0CC7FggAgFF8fHysniW87fZzhiVKlFDFihU1bdo0NWzY0IAKAfvJUSgcMmSILly4oL59+yotLU2S5OrqqmHDhmnEiBF2LRAAAKNMnz492/akpCSFh4frvffe088//6w333xTv//+e94WB9iZyZzdP4HuUnJysuLi4uTm5qZKlSrJxcXFnrXliqSkJBUtWlRXrlyRp6en0eVkUW/I50aXgIfAMo8pRpeAAq5M5D6jS8hVZ8+elb+/vzIyMnTq1CmVLVvWMkgC5Ff3tU6hu7u7HnvsMXvVAgBAvlC0aFHNnz9fklSkSBG1adPG4IqA+5ejUNi8eXOZTCab+9evX5/jggAAeFD88ssvNvfdXqy6cOHC6t+/f16VVGCcO3dOkZGRWrlypc6cOSNvb28FBgYqMjJSjRo1+sfjx44dq+XLl7MckB3lKBQGBQVZbaenp2vPnj3av3+/unbtao+6AAAwXIsWLSyTSv7u9uLVFy9eVIsWLZSRkWFAhfnXiy++qLS0NC1cuFAVKlTQmTNnFBMTowsXLhhd2kMrR6Hw/fffz7Z97NixSk5Ovq+CAAB4UFy6dOkf+5QsWfKu+uF/Ll++rI0bN2rDhg1q2rSppFsjr/Xr17fqM3jwYP3nP/9RamqqgoOD9f777yswMFALFizQuHHjJMkS2OfPn69u3brl+WcpSOz67uPXX39d9evX13vvvWfP0wIAYIi7nZD4IE5cfJC5u7vL3d1dy5cv1+OPP57tRNWXX35Zbm5u+vHHH1W0aFF98sknevLJJ/XHH3+oQ4cO2r9/v1avXq1169ZJuvWcJ+5PjhavtiU2Nlaurq72PCUAAIY6cuSIevTooeDgYNWoUUOdOnXiObb75OTkpAULFmjhwoXy8vJSo0aNNHLkSMuyPps2bdK2bdv0zTffKDg4WJUqVdJ7770nLy8vffvtt3Jzc5O7u7ucnJzk5+cnPz8/ubm5Gfyp8r8cjRS+8MILVttms1mnTp3Sjh07NGbMGLsUBgCA0TZu3Kinn35ajz32mNq2bSvp1ssaQkJCtG7duruaEIHsvfjii2rdurU2btyo3377TT/++KMmT56suXPnKiUlRcnJySpWrJjVMdevX1d8fLxBFRd8OVqnsHv37lbbDg4OKlGihFq0aKGnn37absXlBtYpBFinELmvoKxT2LhxY9WuXVszZ860an/rrbe0f/9+/fzzzwZVVjD16tVLa9euVd++ffXhhx9qw4YNWfp4eXmpePHizD7OBTkaKby9NhMAAAXZzp079fHHH2dpf+ONN/T4448bUFHBVr16dS1fvlx169bV6dOn5eTkpHLlymXb19nZmRnfdmbXZwoBAChI3NzcVKhQoSztTk5O+eItXg+qCxcuqEWLFvriiy/0+++/6/jx4/rmm280efJkPf/882rZsqVCQkLUrl07/fTTT0pISNCWLVs0atQo7dixQ5JUrlw5HT9+XHv27NH58+eVmppq8KfK/3I0UpiRkaH3339fX3/9tRITE7O82ufixYt2KQ4AACM1aNBAGzZsUNWqVa3af/75ZzVo0MCgqvI/d3d3NWjQQO+//77i4+OVnp6ugIAA9e7dWyNHjpTJZNKqVas0atQode/eXefOnZOfn5+aNGkiX19fSbeeSVy6dKmaN2+uy5cvsySNHeTomcLIyEjNnTtXgwYN0ujRozVq1CglJCRo+fLlioyMVHh4eG7Uahc8UwjwTCFyX0F5pjApKUk3b96Uj4+PVfvFixfl6OjIMigoUHJ0+/jLL7/UnDlzNGjQIDk5Oaljx46aO3euIiMj9dtvv9m7RgAADOHp6Slvb+8sd8B8fHwIhChwchQKT58+rVq1akm6NQR85coVSVKbNm20cuVK+1UHAICB1q9fr5IlS6p48eKqWrWqjh49KklaunSp1qxZY3B1gH3lKBQ+8sgjOnXqlCSpYsWK+umnnyRJ27dv58FbAECBER4ermeffVYbN25U+fLlFRkZKenWUmzvvPOOwdUB9pWjUNi+fXvFxMRIurVW05gxY1SpUiV16dJFPXr0sGuBAAAY5dixY4qMjFSjRo00dOhQbd26VZIUGBio/fv3G1wdYF85mn08ceJEy+8dOnRQ2bJltWXLFlWqVMmy4jsAAPldlSpVdOLECVWsWFGlSpXS+fPnJUlXr16Vo6OjwdUB9mWXdQoff/xxRUREZAmErVu3ttxmBgAgv5kxY4ZGjBihTZs2KTMzU5mZmTp//rwiIyMVEhJidHmAXeVopPBu/frrr7p+/XpuXgIAgFzTrFkzSVKTJk0kSSaTSSVLllStWrW0bNkyAysD7C9XQyEAAPnZ34Ofs7OzypQpo+rVqxtUEZB7CIUAANjw3HPPGV0CkGd49zEAAHeQkZGhU6dO6cSJE5afHTt2yMHBQQkJCTpx4oTRJeIuLViwQF5eXpbtsWPHKigo6I7HdOvWTe3atbvva9vrPLmJkUIAAGyYN2+e3nrrrWyfjzeZTKpYsaLMZrMyMzNtniOvX1+6c0qXez7m9OnTmjBhglauXKk///xTJUuWVFBQkAYMGKAnn3wyF6q8N999951eeeUVJSYmqnTp0ln23179ZNq0afd03sGDB+utt96yV5mSpISEBJUvX167d++2CpwffPCBcvBm4TxFKAQAwIa3335bo0ePVqtWrayWoLl48aJatGihPXv2GFecnSQkJKhRo0by8vLSlClTVKtWLaWnp2vNmjXq16+fDh06lO1x6enpKlSoUJ7U+Nxzz6lYsWJauHChRo4cabXv119/1dGjR9WzZ897Pq+7u7vc3d3tVeYd5YfXIubq7eORI0dmeYk4AAD5xZ9//qmePXuqTp06ql27tuXn9kST29v5Wd++fWUymbRt2za9+OKLqly5smrUqKGIiAj99ttvln4mk0mzZs3Sc889pyJFimjChAmSpFmzZqlixYpydnZWlSpV9O9//9tyjNls1tixY1WmTBm5uLioVKlSCg8Pt+z/+OOPValSJbm6usrX11cvvfRStjUWKlRInTt31oIFC7Lsmzdvnho0aKAaNWpo2rRpqlWrlooUKaKAgAD17dtXycnJNj/7328fZ2RkKCIiQl5eXipWrJiGDh2aZXRv9erVeuKJJyx92rRpo/j4eMv+8uXLS5Lq1Kkjk8lkmcH+99vHqampCg8PV8mSJeXq6qonnnhC27dvt+zfsGGDTCaTYmJiFBwcrMKFC6thw4Y6fPiwzc9zv3IUCqOjozVv3rws7fPmzdOkSZMs2yNGjLC6dw8AQH7SuHFjubq6Zml3dna2/GWfn128eFGrV69Wv379VKRIkSz7//53+NixY9W+fXvt27dPPXr00LJly9S/f38NGjRI+/fv17/+9S91795dP//8s6Rbt33ff/99ffLJJzpy5IiWL1+uWrVqSZJ27Nih8PBwvf322zp8+LBWr15tWfonOz179tSRI0f066+/WtqSk5P17bffWkYJHRwcNGPGDB04cEALFy7U+vXrNXTo0Lv+PqZOnaoFCxZo3rx52rRpky5evJhlBnpKSooiIiK0Y8cOxcTEyMHBQe3bt7c8QrBt2zZJ0rp163Tq1CktXbo022sNHTpU3333nRYuXKhdu3bp0UcfVWhoqC5evGjVb9SoUZo6dap27NghJyenXH1zXI5uH3/yySdatGhRlvYaNWro1Vdf1bBhw+67MAAAjLZ+/fps2728vGzuy0+OHj0qs9msqlWr3lX/1157Td27d7dsd+zYUd26dVPfvn0lyTK6+N5776l58+ZKTEyUn5+fWrZsqUKFCqlMmTKqX7++JCkxMVFFihRRmzZt5OHhobJly6pOnTo2r129enU9/vjjmjdvniU8fv311zKbzXr11VclSQMGDLD0L1eunN555x29+eab+vjjj+/q802fPl0jRozQCy+8IEmaPXu21qxZY9XnxRdftNqeN2+eSpQooYMHD6pmzZoqUaKEJKlYsWLy8/PL9jopKSmaNWuWFixYoGeeeUaSNGfOHK1du1afffaZhgwZYuk7YcIENW3aVJI0fPhwtW7dWjdu3Mj2Hyv3K0cjhadPn5a/v3+W9hIlSvAGEwBAgdG9e3ebP926dZN065V3fw1K+cm9TnwIDg622o6Li1OjRo2s2ho1aqS4uDhJ0ssvv6zr16+rQoUK6t27t5YtW6abN29Kkp566imVLVtWFSpUUOfOnfXll1/q2rVrd7x+jx499O233+rq1auSbgWyl19+WR4eHpJujc49+eSTKl26tDw8PNS5c2dduHDhH88rSVeuXNGpU6fUoEEDS5uTk1OWz3zkyBF17NhRFSpUkKenp8qVKyfpVsi9W/Hx8UpPT7f67goVKqT69etbvrvb/vp4wu3sdfbs2bu+1r3IUSgMCAjQ5s2bs7Rv3rxZpUqVuu+iAAB4EFy5csXmT1JSkqRbwerKlSsGV5ozlSpVkslksjmZ5O+yu8V8JwEBATp8+LA+/vhjubm5qW/fvmrSpInS09Pl4eGhXbt2afHixfL391dkZKQCAwN1+fJlm+e7PSL49ddf68iRI9q8ebPl1nFCQoLatGmj2rVr67vvvtPOnTs1c+ZMSVJaWto91X0nbdu21cWLFzVnzhxt3bpVW7dutfs1/uqvk3lMJpMk3XG2+/3I0e3j3r17a8CAAUpPT1eLFi0kSTExMRo6dKgGDRpk1wIBADCKrefB/srT0/Ou+j2IfHx8FBoaqpkzZyo8PDxL6Lt8+fId5wZUq1ZNmzdvVteuXS1tmzdvtnrji5ubm9q2bau2bduqX79+qlq1qvbt26e6devKyclJLVu2VMuWLRUVFWW5LX/79u3feXh46OWXX9a8efMUHx+vypUrq3HjxpKknTt3KjMzU1OnTpWDw60xr6+//vquv4uiRYvK399fW7dutdyevnnzpnbu3Km6detKki5cuKDDhw9rzpw5lutu2rTJ6jzOzs6Sbk1aseX2xJzNmzerbNmykm7N5t6+fbvVLfC8lqNQOGTIEF24cEF9+/a1JGNXV1cNGzZMI0aMsGuBAAAY7dq1a5YZphUrVlThwoUNrsh+Zs6cqUaNGql+/fp6++23Vbt2bd28eVNr167VrFmzstzO/KshQ4bolVdeUZ06ddSyZUt9//33Wrp0qdatWyfp1mLRGRkZatCggQoXLqwvvvhCbm5uKlu2rH744QcdO3ZMTZo0kbe3t1atWqXMzExVqVLljvX27NlTjRs3VlxcnNUchkcffVTp6en68MMP1bZtW23evFmzZ8++p++if//+mjhxoipVqqSqVatq2rRpViOX3t7eKlasmD799FP5+/srMTFRw4cPtzpHyZIl5ebmptWrV+uRRx6Rq6trluVoihQpoj59+mjIkCHy8fFRmTJlNHnyZF27di1HS+vYS45uH5tMJk2aNEnnzp3Tb7/9pr179+rixYuKjIy0d30AABgmNTVVAwcOlI+Pj4KCghQUFCRvb2/1798/124X5rUKFSpo165dat68uQYNGqSaNWvqqaeeUkxMjGbNmnXHY9u1a6cPPvhA7733nmrUqKFPPvlE8+fPt8zM9vLy0pw5c9SoUSPVrl1b69at0/fff69ixYrJy8tLS5cuVYsWLVStWjXNnj1bixcvVo0aNe54zSeeeEJVqlRRUlKSunT530LdgYGBmjZtmiZNmqSaNWvqyy+/VHR09D19F4MGDVLnzp3VtWtXhYSEyMPDQ+3bt7fsd3Bw0FdffaWdO3eqZs2aGjhwoKZMmWJ1DicnJ82YMUOffPKJSpUqpeeffz7ba02cOFEvvviiOnfurLp16+ro0aNas2aNvL2976lmezKZ73N57f/+97+SpEceecQuBeW2pKQkFS1aVFeuXJGnp6fR5WSR1yvf4+G0zGPKP3cC7kOZyH1Gl2AXAwYM0HfffacpU6ZYJgVs2bJFgwcPVvv27TVjxgyDKwTsJ0cjhZmZmXr77bdVtGhRlS1bVmXLlpWXl5fGjx+faw8/AgCQ1xYvXqy5c+fq1VdfVUBAgAICAtShQwd99tlnWrJkidHlAXaVo2cKR40apc8++0wTJ060/Mtp06ZNGjt2rG7cuGFZ5RwAgPzs6tWrCggIyNJepkwZy+xjoKDIUShcuHCh5s6dq+eee87SVrt2bZUuXVp9+/YlFAIACoTg4GBNnjxZc+fOlZPTrb8yb968qUmTJmVZvw7I73IUCi9evJjt6udVq1bN8noWAADyq+nTp+vpp59W+fLl9dhjj0m69Rqz69evZ3nTBZDf5eiZwsDAQH300UdZ2j/66CMFBgbed1EAADwI6tatq/j4eEVERMjHx0c+Pj4aOHCg4uPjGSlEgZOjkcIpU6bo2Wef1bp16xQSEiJJio2N1cmTJ7Vq1Sq7FggAgJGKFi2qgQMHGl0GkOvuORSmp6dr3LhxWrVqlX766SfLopYvvPCC+vbty2vuAAAFxi+//HLH/U2bNs2jSoDcd8+hsFChQvr999/l7++vd955JzdqAgDggdCiRQuZzWbLO2dvu73EL8uwoSDJ0TOFr7/+uj777DN71wIAwAPl0qVLunz5si5duqRLly7p7NmziomJ0eOPP255lRtQUOTomcKbN29q3rx5WrdunerVq5flBdrTpk2zS3EAABgpuzdfNWvWTJMnT9bAgQO1fft2A6p6MJlMJi1btkzt2rUzupR/NHbsWC1fvlx79uwxupQHSo5C4f79+1W3bl1J0h9//GG17+9D7AAAFDTFixfXwYMH76pv4tu1crkaa/f6isFu3brp8uXLWr58ee4U9JBYsGCBBgwYoMuXL9vs06xZszs+p9q0aVNt2LAhR9dv1qyZgoKCNH369BwdL+UwFP788885viAAAPnF3r17rbbNZrNOnTqliRMnKigoyJiikG8tXbpUaWlpkqSTJ0+qfv36WrdunWrUqCFJcnZ2NrK8nD1TCADAw6Bu3bqqU6eO6tatq7p166pevXpq06aNMjMztWDBAqPLyxXNmjVTeHi4hg4dKh8fH/n5+Wns2LFWfY4cOaImTZrI1dVV1atX19q1a7Oc5+TJk3rllVfk5eUlHx8fPf/880pISLDs79atm9q1a6dx48apRIkS8vT01JtvvmkJTdKtiTzR0dEqX7683NzcFBgYqG+//dayf8OGDTKZTIqJiVFwcLAKFy6shg0b6vDhw1a1TJw4Ub6+vvLw8FDPnj1148aNLPXOnTtX1apVk6urq6pWraqPP/7Ysi8hIUEmk0lLly5V8+bNVbhwYQUGBio2NtZSR/fu3XXlyhWZTCaZTKYs35kky/fp5+enEiVKSJKKFStmaTt48KAaN24sNzc3BQQEKDw8XCkpKZbjP/74Y1WqVEmurq7y9fXVSy+9ZPkuf/nlF33wwQeW6//1u75bhEIAAGw4fvy4EhISdPz4cR0/flwnTpzQ9evXtXHjRlWqVMno8nLNwoULVaRIEW3dulWTJ0/W22+/bQl+mZmZeuGFF+Ts7KytW7dq9uzZGjZsmNXx6enpCg0NlYeHhzZu3KjNmzfL3d1drVq1sgp9MTExiouL04YNG7R48WItXbpU48aNs+yPjo7W559/rtmzZ+vAgQMaOHCgXn/99Sy3YEeNGqWpU6dqx44dcnJyUo8ePSz7vv76a40dO1bvvvuuduzYIX9/f6vAJ0lffvmlIiMjNWHCBMXFxendd9/VmDFjtHDhwizXGTx4sPbs2aPKlSurY8eOunnzpho2bKjp06fL09NTp06d0qlTpzR48OB7+s7j4+PVqlUrvfjii/r999+1ZMkSbdq0SWFhYZKkHTt2KDw8XG+//bYOHz6s1atXq0mTJpKkDz74QCEhIerdu7fl+tm9s/uf5Oj2MQAAD4MyZcrccf/ly5fVvn37AvdYVe3atRUVFSVJqlSpkj766CPFxMToqaee0rp163To0CGtWbPGsjbxu+++q2eeecZy/JIlS5SZmam5c+da5hrMnz9fXl5e2rBhg55++mlJt26Xzps3T4ULF1aNGjX09ttva8iQIRo/frzS09P17rvvWr0oo0KFCtq0aZM++eQTqzUiJ0yYYNkePny4WrdurRs3bsjV1VXTp09Xz5491bNnT0nSO++8o3Xr1lmNFkZFRWnq1Kl64YUXJEnly5fXwYMH9cknn6hr166WfoMHD1br1q0lSePGjVONGjV09OhRVa1aVUWLFpXJZJKfn1+OvvPo6Gh16tRJAwYMsHzvM2bMUNOmTTVr1iwlJiaqSJEiatOmjTw8PFS2bFnVqVNH0q0F1p2dnVW4cOEcX18iFAIAkGNpaWn/uMB1flS7dm2rbX9/f509e1aSFBcXp4CAAKuXVdwObbft3btXR48elYeHh1X7jRs3FB8fb9kODAxU4cKFrc6TnJyskydPKjk5WdeuXdNTTz1ldY60tDRLGMquXn9/f0nS2bNnVaZMGcXFxenNN9+06h8SEmIJ8ikpKYqPj1fPnj3Vu3dvS5+bN2+qaNGid3WdqlWr6n7t3btXv//+u7788ktLm9lsVmZmpo4fP66nnnpKZcuWVYUKFdSqVSu1atVK7du3t/r+7hehEAAAWClUqJDVtslkuqeFupOTk1WvXj2rgHPb7Wfp7uYckrRy5UqVLl3aap+Li4vNem+PTN5tvbevM2fOHDVo0MBqn6Ojo92uczd1/Otf/1J4eHiWfWXKlJGzs7N27dqlDRs26KefflJkZKTGjh2r7du3y8vLyy41EAoBALDhxIkTd9x/7ty5PKrkwVGtWjWdPHlSp06dsoyW/fbbb1Z96tatqyVLlqhkyZLZrvV42969e3X9+nW5ublZzuPu7q6AgAD5+PjIxcVFiYmJ9/U6wWrVqmnr1q3q0qWLpe2v9fr6+qpUqVI6duyYOnXqlOPrODs7KyMjI8fH161bVwcPHtSjjz5qs4+Tk5Natmypli1bKioqSl5eXlq/fr3lGc/7ub5EKAQAwKYKFSpYXmmXnYdxbd6WLVuqcuXK6tq1q6ZMmaKkpCSNGjXKqk+nTp00ZcoUPf/883r77bf1yCOP6MSJE1q6dKmGDh2qRx55RNKtW8E9e/bU6NGjlZCQoKioKIWFhcnBwUEeHh4aPHiwBg4cqMzMTD3xxBO6cuWKNm/eLE9PT6tn/e6kf//+6tatm4KDg9WoUSN9+eWXOnDggCpUqGDpM27cOIWHh6to0aJq1aqVUlNTtWPHDl26dEkRERF3dZ1y5copOTlZMTExltvi93Jrd9iwYXr88ccVFhamXr16qUiRIjp48KDWrl2rjz76SD/88IOOHTumJk2ayNvbW6tWrVJmZqaqVKliuf7WrVuVkJAgd3d3+fj4yMHh3uYTPxCzj2fOnKly5crJ1dVVDRo00LZt2+7quK+++komkylfrJ4OAMh/du/erT179tj8iYmJMbrEPOfg4KBly5bp+vXrql+/vnr16qUJEyZY9SlcuLB+/fVXlSlTRi+88IKqVatmWQrmryOHTz75pCpVqqQmTZqoQ4cOeu6556yWchk/frzGjBmj6OhoVatWTa1atdLKlStVvnz5u663Q4cOGjNmjIYOHap69erpxIkT6tOnj1WfXr16ae7cuZo/f75q1aqlpk2basGCBfd0nYYNG+rNN99Uhw4dVKJECU2ePPmuj5VuPa/4yy+/6I8//lDjxo1Vp04dRUZGWp7d9PLy0tKlS9WiRQtVq1ZNs2fP1uLFiy1rHA4ePFiOjo6qXr26SpQoocTExHu6viSZzHf6J1AeWLJkibp06aLZs2erQYMGmj59ur755hsdPnxYJUuWtHlcQkKCnnjiCVWoUEE+Pj53vRJ7UlKSihYtqitXrtxxSNso9YZ8bnQJeAgs85hidAko4O71rRr51dmzZ+Xn52e358oeJrxJ5cFj+O3jadOmqXfv3urevbskafbs2Vq5cqXmzZun4cOHZ3tMRkaGOnXqpHHjxmnjxo13fKUMAAD34+bNmzp69KjOnTtnFf7MZrOqV6/+UN5CRsFkaChMS0vTzp07NWLECEubg4ODWrZsaVklPDtvv/22SpYsqZ49e2rjxo15USoA4CEUGxurV199VSdPnswS/sxmsy5cuHBfkyCAB4mhofD8+fPKyMiQr6+vVbuvr68OHTqU7TGbNm3SZ599pj179tzVNVJTU5WammrZTkpKynG9AICHS58+fRQSEqI1a9bI398/SzD09PTU+vXrDaoufyuorwnMzwy/fXwvrl69qs6dO2vOnDkqXrz4XR0THR1t9cocAADu1pEjR/Ttt9/ecZkQoKAwNBQWL15cjo6OOnPmjFX7mTNnsn1NS3x8vBISEtS2bVtL2+3nO5ycnHT48GFVrFjR6pgRI0ZYTSdPSkrK0fsAAQAPn8cee0yHDx8mFOKhYGgodHZ2Vr169RQTE2NZViYzM1MxMTGWF0D/VdWqVbVvn/WMttGjR+vq1av64IMPsg17Li4uWVY+BwDgboSHh2vw4MH6v//7P9WpUyfLmz4CAwMNqgywP8NvH0dERKhr164KDg5W/fr1NX36dKWkpFhmI3fp0kWlS5dWdHS0XF1dVbNmTavjb7/a5e/tAADcr5dfflmSsrw7V/rfe2mBgsLwUNihQwedO3dOkZGROn36tIKCgrR69WrL5JPExMR7XpEbAAB7OH78uNElAHnG8MWr8xqLVwMsXo3cV9AXr05PT9eWLVtYjgYFiuEjhQAAPMhiY2OVkJCgtLQ0S9uVK1c0YMAAzZs3TyaT6a7fwws8yAiFAADY0K9fP82ePVvu7u5ydHS0tJvNZplMJkVERMhsNhMKUSAQCgEAsOHrr7/W2rVr1aJFC6v2c+fOydfXVxcvXjSoMsD+mMEBAIANFy9ezHbZmdsjhUBBQigEAMCGqKgoFS5cOEu7u7u7oqKiDKgIyD3cPgYAwIbIyEhJ0tGjRxUXFydJqlatmh599FHLPqCgIBQCAGDD5cuX1b17d61YsUJOTrf+ykxPT1fbtm21cOFCywsUgIKA28cAANgwYMAAHT16VJs3b9aNGzd048YNxcbGKj4+XuHh4UaXB9gVI4UAANiwYsUKff/993r88cctbQ0aNNCnn36qNm3aGFgZYH+MFAIAYENaWprc3d2ztHt4eCg1NdWAioDcQygEAMCGpk2bavjw4bpw4YKl7eLFixo6dCivuEOBw+1jAABsmDFjhlq3bq0yZcqoSpUqkqTDhw+rdOnSWrVqlcHVAfZFKAQAwIaKFSvqwIEDWrFihQ4cOCDp1pI07dq1s3rtHVAQEAoBALgDR0dHtW/fXu3btze6FCBXEQoBALBh4cKFd9zftWvXPKoEyH2EQgAAbBg4cKDV9vXr15WWliYnJycVLlyYUIgChdnHAADYcPHiRauf69eva+/evapfv74+//xzo8sD7IpQCADAPahZs6amTJmi4cOHG10KYFeEQgAA7lGxYsV05MgRZWZmGl0KYDeEQgAA7tEjjzyio0ePymQyGV0KYDdMNAEAwIbu3bvfcf/8+fN19epVhYeHa/78+XlUFZA7CIUAANhw5cqVf+xjNpvvqh/woCMUAgBgw9KlS/+xj6en5131Ax50PFMIAMAdmM1mXbx40egygFxHKAQAwIb169erZMmSKl68uKpWraqjR49KujWCuGbNGoOrA+yLUAgAgA3h4eF69tlntXHjRpUvX16RkZGSJAcHB73zzjsGVwfYF88UAgBgw7Fjx/Sf//xHFStW1NChQ9WrVy9JUmBgoPbv329wdYB9MVIIAIANVapU0YkTJyRJpUqV0vnz5yVJV69elaOjo5GlAXZHKAQAwIYZM2ZoxIgR2rRpkzIzM5WZmanz588rMjJSISEhRpcH2BW3jwEAsKFZs2aSpCZNmkiSTCaTSpYsqVq1amnZsmUGVgbYH6EQAAAb/h78nJ2dVaZMGVWvXt2gioDcQygEAMCG5557zugSgDxDKAQAwIbbk0zuRtmyZXOxEiD3EQoBALChQoUKMpvNd+xjMplkNpuVmZmZR1UBuYNQCACADbt37za6BCDPEAoBALChdu3aRpcA5BlCIQAANtztM4U8T4iCgFAIAIAN2T1TaDKZJMmqnecJURAQCgEAsMHWM4Xp6elasWKFFi5cqD///DOPqwJyB6EQAAAb/v5M4f79+zVv3jx9+eWX8vb2Vp8+fdSlSxeDqgPsi1AIAMAdZGZm6tNPP9W8efN0+PBhvfzyy1q2bJkaNmxodGmAXREKAQC4g8uXL6tfv35q2rSp/vjjD/n6+hpdEpArHIwuAACAB5mXl5dmz56ta9euqVKlSurZs6c2bdpkdFmA3REKAQC4AwcHB/Xu3Vu//fabtm7dKm9vb7300kuqWrWqJk2apNOnTxtdImAX3D4GAMCGvXv3Zmnr3LmzOnbsqO+//16zZs3SqFGjdPPmTQOqA+yLUAgAgA1169aV2Wy2rE0o/W99wr+2AQUBoRAAABuOHz9udAlAniEUAgBgQ5kyZYwuAcgzhEIAAO7g//7v//Txxx8rLi5OklS1alX169dPpUqVMrgywL6YfQwAgA0bN25UlSpVtHTpUnl5ecnLy0vLli1T5cqV9csvvxhdHmBXjBQCAGDDkCFD1K1bN3344YdW7eHh4Ro6dKi2bt1qUGWA/TFSCACADXv37lVYWFiW9rCwsGyXqwHyM0IhAAA2+Pj46NChQ1naDx06JB8fHwMqAnIPt48BALChW7du6t27t/7880898cQTkqTNmzcrKipKPXv2NLg6wL4IhQAA2DB+/Hi5urpq5MiRunr1qiTJ3d1dgwYN0ujRow2uDrAvQiEAADY4ODhozJgxGjNmjP773/9Kkh555BGDqwJyB6EQAIB/kJKSoosXL0qSvL29VaRIEYMrAuyPiSYAANiQkpKivn37ysfHR3Xq1FGdOnVUrFgx9e3bV9euXTO6PMCuGCkEAMCGvn37auPGjVq0aJEaNGggSdq2bZsGDRqk5ORkff755wZXCNgPoRAAABuWLl2qFStWqHnz5pa2Rx55RD4+Pmrbtq2BlQH2x+1jAABs8PDwUIkSJbK0lyhRQp6engZUBOQeQiEAADbcXnrm0qVLlrZLly5pxIgRGjRokIGVAfbH7WMAAGxYuXKldu7cqYCAAFWuXFmSdPjwYTk5Oenq1av6/vvvLX1//vlno8oE7IJQCACADUFBQQoKCrJqa9asmSG1ALmNUAgAgA3Tpk0zugQgzxAKAQD4B0eOHNHu3bvl7u6umjVrqkyZMkaXBNgdoRAAABsyMjLUrVs3LVq0SI6Ojrp586YcHR3VrVs3zZw5U87OzkaXCNgNs48BALDhnXfe0ZYtW/Trr7/q4MGDcnd318mTJ3Xo0CGNHDnS6PIAuyIUAgBgw+eff6733ntPjRo1koODg8xms/z8/DRp0iR99dVXRpcH2BWhEAAAG/7880/VqVMnS7u/v78uX76c9wUBuYhQCACADcWLF9fZs2eztC9btky1atUyoCIg9zwQoXDmzJkqV66cXF1d1aBBA23bts1m3zlz5qhx48by9vaWt7e3WrZsecf+AADk1OOPP67169dbttPS0vTUU09p9OjRmjhxooGVAfZneChcsmSJIiIiFBUVpV27dikwMFChoaHZ/stMkjZs2KCOHTvq559/VmxsrAICAvT000/rzz//zOPKAQAF3bhx4xQYGChJcnd31wsvvKAGDRpo3759atq0qcHVAfZlMpvNZiMLaNCggR577DF99NFHkqTMzEwFBATorbfe0vDhw//x+IyMDHl7e+ujjz5Sly5d/rF/UlKSihYtqitXrjyQLzOvN+Rzo0vAQ2CZxxSjS0ABVyZyn9ElALhHhq5TmJaWpp07d2rEiBGWNgcHB7Vs2VKxsbF3dY5r164pPT1dPj4+2e5PTU1VamqqZTspKen+igYAPDQWLlx41327du2ai5UAuc/QUHj+/HllZGTI19fXqt3X11eHDh26q3MMGzZMpUqVUsuWLbPdHx0drXHjxt13rQCAh8/AgQPvqp/ZbCYUIt/L1280mThxor766itt2LBBrq6u2fYZMWKEIiIiLNtJSUkKCAjIqxIBAPnYxYsXjS4ByDOGhsLixYvL0dFRZ86csWo/c+aM/Pz87njse++9p4kTJ2rdunWqXbu2zX4uLi5ycXGxS70AAAAFlaGzj52dnVWvXj3FxMRY2jIzMxUTE6OQkBCbx02ePFnjx4/X6tWrFRwcnBelAgAAFGiG3z6OiIhQ165dFRwcrPr162v69OlKSUlR9+7dJUldunRR6dKlFR0dLUmaNGmSIiMjtWjRIpUrV06nT5+WdGupAHd3d8M+BwAAQH5meCjs0KGDzp07p8jISJ0+fVpBQUFavXq1ZfJJYmKiHBz+N6A5a9YspaWl6aWXXrI6T1RUlMaOHZuXpQMAABQYhq9TmNdYpxBgnULkPtYpBPIfw99oAgAAAOMRCgEAAEAoBAAAAKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAACIUAgAAAARCgEAACBCIQAAAEQoBAAAgAiFAAAAEKEQAAAAIhQCAABAhEIAAADoAQmFM2fOVLly5eTq6qoGDRpo27Ztd+z/zTffqGrVqnJ1dVWtWrW0atWqPKoUAACgYDI8FC5ZskQRERGKiorSrl27FBgYqNDQUJ09ezbb/lu2bFHHjh3Vs2dP7d69W+3atVO7du20f//+PK4cAACg4DCZzWazkQU0aNBAjz32mD766CNJUmZmpgICAvTWW29p+PDhWfp36NBBKSkp+uGHHyxtjz/+uIKCgjR79ux/vF5SUpKKFi2qK1euyNPT034fxE7qDfnc6BLwEFjmMcXoElDAlYncZ3QJAO6RoSOFaWlp2rlzp1q2bGlpc3BwUMuWLRUbG5vtMbGxsVb9JSk0NNRmfwAAAPwzJyMvfv78eWVkZMjX19eq3dfXV4cOHcr2mNOnT2fb//Tp09n2T01NVWpqqmX7ypUrkm6NGD6IMlKvG10CHgJXC2UYXQIKuAf1/2Nv8/DwkMlkMroM4IFiaCjMC9HR0Ro3blyW9oCAAAOqAR4MNY0uAAVfdFGjK7ijB/URIsBIhobC4sWLy9HRUWfOnLFqP3PmjPz8/LI9xs/P7576jxgxQhEREZbtzMxMXbx4UcWKFeNfiXgoJSUlKSAgQCdPnuQvRTy0PDw8jC4BeOAYGgqdnZ1Vr149xcTEqF27dpJuhbaYmBiFhYVle0xISIhiYmI0YMAAS9vatWsVEhKSbX8XFxe5uLhYtXl5edmjfCBf8/T0JBQCACwMv30cERGhrl27Kjg4WPXr19f06dOVkpKi7t27S5K6dOmi0qVLKzo6WpLUv39/NW3aVFOnTlXr1q311VdfaceOHfr000+N/BgAAAD5muGhsEOHDjp37pwiIyN1+vRpBQUFafXq1ZbJJImJiXJw+N8k6YYNG2rRokUaPXq0Ro4cqUqVKmn58uWqWZOnpAAAAHLK8HUKAeSt1NRURUdHa8SIEVkerQAAPLwIhQAAADD+NXcAAAAwHqEQAAAAhEIgP0tISJDJZNKePXuMLgUAkM8RCoEHWLdu3WQymSw/xYoVU6tWrfT7779LuvVmnlOnTjH7HgBw3wiFwAOuVatWOnXqlE6dOqWYmBg5OTmpTZs2kiRHR0f5+fnJySl3V5dKS0vL1fMDAIxHKAQecC4uLvLz85Ofn5+CgoI0fPhwnTx5UufOncty+3jDhg0ymUyKiYlRcHCwChcurIYNG+rw4cOW88XHx+v555+Xr6+v3N3d9dhjj2ndunVW1yxXrpzGjx+vLl26yNPTU2+88YZatGiR5U1D586dk7Ozs2JiYnL9ewAA5C5CIZCPJCcn64svvtCjjz6qYsWK2ew3atQoTZ06VTt27JCTk5N69OhhdY5nn31WMTEx2r17t1q1aqW2bdsqMTHR6hzvvfeeAgMDtXv3bo0ZM0a9evXSokWLlJqaaunzxRdfqHTp0mrRooX9PywAIE8Z/kYTAHf2ww8/yN3dXZKUkpIif39//fDDD1Zv+vm7CRMmqGnTppKk4cOHq3Xr1rpx44ZcXV0VGBiowMBAS9/x48dr2bJlWrFihdVIYIsWLTRo0CDLdunSpRUWFqb//Oc/euWVVyRJCxYssDz3CADI3xgpBB5wzZs31549e7Rnzx5t27ZNoaGheuaZZ3TixAmbx9SuXdvyu7+/vyTp7Nmzkm6NFA4ePFjVqlWTl5eX3N3dFRcXl2WkMDg42Grb1dVVnTt31rx58yRJu3bt0v79+9WtWzd7fEwAgMEYKQQecEWKFNGjjz5q2Z47d66KFi2qOXPmqFevXtkeU6hQIcvvt0fxMjMzJUmDBw/W2rVr9d577+nRRx+Vm5ubXnrppSyTSYoUKZLlvL169VJQUJD++9//av78+WrRooXKli17358RAGA8QiGQz5hMJjk4OOj69es5On7z5s3q1q2b2rdvL+nWyGFCQsJdHVurVi0FBwdrzpw5WrRokT766KMc1QAAePAQCoEHXGpqqk6fPi1JunTpkj766CMlJyerbdu2OTpfpUqVtHTpUrVt21Ymk0ljxoyxjCLejV69eiksLExFihSxBEsAQP7HM4XAA2716tXy9/eXv7+/GjRooO3bt+ubb75Rs2bNcnS+adOmydvbWw0bNlTbtm0VGhqqunXr3vXxHTt2lJOTkzp27ChXV9cc1QAAePCYzGaz2egiAOQfCQkJqlixorZv335PYRIA8GAjFAK4K+np6bpw4YIGDx6s48ePa/PmzUaXBACwI24fA7grmzdvlr+/v7Zv367Zs2cbXQ4AwM4YKQQAAAAjhQAAACAUAgAAQIRCAAAAiFAIAAAAEQoBAAAgQiFQIJlMJi1fvtzoMgAA+QihEMiHTp8+rbfeeksVKlSQi4uLAgIC1LZtW8XExBhdGgAgn3IyugAA9yYhIUGNGjWSl5eXpkyZolq1aik9PV1r1qxRv379dOjQIaNLBADkQ4wUAvlM3759ZTKZtG3bNr344ouqXLmyatSooYiICP3222/ZHjNs2DBVrlxZhQsXVoUKFTRmzBilp6db9u/du1fNmzeXh4eHPD09Va9ePe3YsUOSdOLECbVt21be3t4qUqSIatSooVWrVuXJZwUA5B1GCoF85OLFi1q9erUmTJigIkWKZNnv5eWV7XEeHh5asGCBSpUqpX379ql3797y8PDQ0KFDJUmdOnVSnTp1NGvWLDk6OmrPnj0qVKiQJKlfv35KS0vTr7/+qiJFiujgwYNyd3fPtc8IADAGoRDIR44ePSqz2ayqVave03GjR4+2/F6uXDkNHjxYX331lSUUJiYmasiQIZbzVqpUydI/MTFRL774omrVqiVJqlChwv1+DADAA4jbx0A+ktNXlS9ZskSNGjWSn5+f3N3dNXr0aCUmJlr2R0REqFevXmrZsqUmTpyo+Ph4y77w8HC98847atSokaKiovT777/f9+cAADx4CIVAPlKpUiWZTKZ7mkwSGxurTp066dlnn9UPP/yg3bt3a9SoUUpLS7P0GTt2rA4cOKDWrVtr/fr1ql69upYtWyZJ6tWrl44dO6bOnTtr3759Cg4O1ocffmj3zwYAMJbJnNOhBwCGeOaZZ7Rv3z4dPnw4y3OFly9flpeXl0wmk5YtW6Z27dpp6tSp+vjjj61G/3r16qVvv/1Wly9fzvYaHTt2VEpKilasWJFl34gRI7Ry5UpGDAGggGGkEMhnZs6cqYyMDNWvX1/fffedjhw5ori4OM2YMUMhISFZ+leqVEmJiYn66quvFB8frxkzZlhGASXp+vXrCgsL04YNG3TixAlt3rxZ27dvV7Vq1SRJAwYM0Jo1a3T8+HHt2rVLP//8s2UfAKDgYKIJkM9UqFBBu3bt0oQJEzRo0CCdOnVKJUqUUL169TRr1qws/Z977jkNHDhQYWFhSk1NVevWrTVmzBiNHTtWkuTo6KgLFy6oS5cuOnPmjIoXL64XXnhB48aNkyRlZGSoX79++u9//ytPT0+1atVK77//fl5+ZABAHuD2MQAAALh9DAAAAEIhAAAARCgEAACACIUAAAAQoRAAAAAiFAIAAECEQgAAAIhQCAAAABEKAQAAIEIhAAAARCgEAACACIUAAACQ9P9h0Dls9XDmbwAAAABJRU5ErkJggg==",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Metric roc_auc_ovr not in summary dataframe, skipping\n",
+      "Metric roc_auc_ovo not in summary dataframe, skipping\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import MetricsPlot\n",
+    "\n",
+    "plot = MetricsPlot([model])\n",
+    "figs, summary = plot.make(save=True, show=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can also plot the confusion matrix (They are plotted for each fold in the cross validation and for the test set)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:19.410454704Z",
+     "start_time": "2023-12-23T21:31:13.467694021Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "ClassificationTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import ConfusionMatrixPlot\n",
+    "\n",
+    "plot = ConfusionMatrixPlot([model])\n",
+    "figs, summary = plot.make(save=True, show=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Multi-class classification\n",
+    "\n",
+    "Multi-class classification is also possible with QSPRpred.\n",
+    "In this case, we need to specify the `task` as `MULTICLASS` and provide a list of thresholds.\n",
+    "The threholds should include the lower and upper bound of each class.\n",
+    "\n",
+    "So, let's load the data again and split the bioactivity into three classes:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:20.695609189Z",
+     "start_time": "2023-12-23T21:31:19.409348274Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "      <th>pchembl_value_Mean_intervals</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>2</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>(7.0, 12.0]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>0</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>(-0.001, 5.5]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>1</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>(5.5, 7.0]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>0</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>(-0.001, 5.5]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>0</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>(-0.001, 5.5]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>2</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>(7.0, 12.0]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>2</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>(7.0, 12.0]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>0</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>(-0.001, 5.5]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>1</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>(5.5, 7.0]</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>ClassificationTutorialMultiClassDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>2</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>ClassificationTutorialMultiClassDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>(7.0, 12.0]</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 6 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                                         SMILES  \\\n",
+       "QSPRID                                                                                            \n",
+       "ClassificationTutorialMultiClassDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "ClassificationTutorialMultiClassDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "ClassificationTutorialMultiClassDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "ClassificationTutorialMultiClassDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "ClassificationTutorialMultiClassDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                                         ...   \n",
+       "ClassificationTutorialMultiClassDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "ClassificationTutorialMultiClassDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "ClassificationTutorialMultiClassDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "ClassificationTutorialMultiClassDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "ClassificationTutorialMultiClassDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                              pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                                     \n",
+       "ClassificationTutorialMultiClassDataset_0000                   2  2008.0   \n",
+       "ClassificationTutorialMultiClassDataset_0001                   0  2010.0   \n",
+       "ClassificationTutorialMultiClassDataset_0002                   1  2009.0   \n",
+       "ClassificationTutorialMultiClassDataset_0003                   0  2009.0   \n",
+       "ClassificationTutorialMultiClassDataset_0004                   0  2019.0   \n",
+       "...                                                          ...     ...   \n",
+       "ClassificationTutorialMultiClassDataset_4077                   2  2018.0   \n",
+       "ClassificationTutorialMultiClassDataset_4078                   2  2008.0   \n",
+       "ClassificationTutorialMultiClassDataset_4079                   0  2010.0   \n",
+       "ClassificationTutorialMultiClassDataset_4080                   1  2013.0   \n",
+       "ClassificationTutorialMultiClassDataset_4081                   2  2014.0   \n",
+       "\n",
+       "                                                                                    QSPRID  \\\n",
+       "QSPRID                                                                                       \n",
+       "ClassificationTutorialMultiClassDataset_0000  ClassificationTutorialMultiClassDataset_0000   \n",
+       "ClassificationTutorialMultiClassDataset_0001  ClassificationTutorialMultiClassDataset_0001   \n",
+       "ClassificationTutorialMultiClassDataset_0002  ClassificationTutorialMultiClassDataset_0002   \n",
+       "ClassificationTutorialMultiClassDataset_0003  ClassificationTutorialMultiClassDataset_0003   \n",
+       "ClassificationTutorialMultiClassDataset_0004  ClassificationTutorialMultiClassDataset_0004   \n",
+       "...                                                                                    ...   \n",
+       "ClassificationTutorialMultiClassDataset_4077  ClassificationTutorialMultiClassDataset_4077   \n",
+       "ClassificationTutorialMultiClassDataset_4078  ClassificationTutorialMultiClassDataset_4078   \n",
+       "ClassificationTutorialMultiClassDataset_4079  ClassificationTutorialMultiClassDataset_4079   \n",
+       "ClassificationTutorialMultiClassDataset_4080  ClassificationTutorialMultiClassDataset_4080   \n",
+       "ClassificationTutorialMultiClassDataset_4081  ClassificationTutorialMultiClassDataset_4081   \n",
+       "\n",
+       "                                              pchembl_value_Mean_original  \\\n",
+       "QSPRID                                                                      \n",
+       "ClassificationTutorialMultiClassDataset_0000                         8.68   \n",
+       "ClassificationTutorialMultiClassDataset_0001                         4.82   \n",
+       "ClassificationTutorialMultiClassDataset_0002                         5.65   \n",
+       "ClassificationTutorialMultiClassDataset_0003                         5.45   \n",
+       "ClassificationTutorialMultiClassDataset_0004                         5.20   \n",
+       "...                                                                   ...   \n",
+       "ClassificationTutorialMultiClassDataset_4077                         7.09   \n",
+       "ClassificationTutorialMultiClassDataset_4078                         8.22   \n",
+       "ClassificationTutorialMultiClassDataset_4079                         4.89   \n",
+       "ClassificationTutorialMultiClassDataset_4080                         6.51   \n",
+       "ClassificationTutorialMultiClassDataset_4081                         7.35   \n",
+       "\n",
+       "                                             pchembl_value_Mean_intervals  \n",
+       "QSPRID                                                                     \n",
+       "ClassificationTutorialMultiClassDataset_0000                  (7.0, 12.0]  \n",
+       "ClassificationTutorialMultiClassDataset_0001                (-0.001, 5.5]  \n",
+       "ClassificationTutorialMultiClassDataset_0002                   (5.5, 7.0]  \n",
+       "ClassificationTutorialMultiClassDataset_0003                (-0.001, 5.5]  \n",
+       "ClassificationTutorialMultiClassDataset_0004                (-0.001, 5.5]  \n",
+       "...                                                                   ...  \n",
+       "ClassificationTutorialMultiClassDataset_4077                  (7.0, 12.0]  \n",
+       "ClassificationTutorialMultiClassDataset_4078                  (7.0, 12.0]  \n",
+       "ClassificationTutorialMultiClassDataset_4079                (-0.001, 5.5]  \n",
+       "ClassificationTutorialMultiClassDataset_4080                   (5.5, 7.0]  \n",
+       "ClassificationTutorialMultiClassDataset_4081                  (7.0, 12.0]  \n",
+       "\n",
+       "[4082 rows x 6 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import QSPRDataset\n",
+    "import os\n",
+    "from IPython.display import display\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"ClassificationTutorialMultiClassDataset\",\n",
+    "    target_props=[\n",
+    "        {\"name\": \"pchembl_value_Mean\", \"task\": \"SINGLECLASS\", \"th\": [0, 5.5, 7, 12]}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "display(dataset.getDF())"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Let's have a quick look at the distribution of the classes again:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:20.887528536Z",
+     "start_time": "2023-12-23T21:31:20.708084460Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "1793 active compounds, 1785 intermediate and 504 inactive compounds\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import matplotlib.pyplot as plt\n",
+    "\n",
+    "# plot the distribution of the original target property\n",
+    "orig_prop_values = dataset.getProperty(f\"{dataset.targetProperties[0].name}_original\")\n",
+    "orig_prop_values.hist()\n",
+    "plt.axvline(x=5.5, color=\"r\", linestyle=\"--\")\n",
+    "plt.axvline(x=7, color=\"r\", linestyle=\"--\")\n",
+    "\n",
+    "# print the number of active and inactive compounds\n",
+    "prop_values = dataset.getProperty(dataset.targetProperties[0].name)\n",
+    "num_inactive = prop_values.value_counts()[0]\n",
+    "num_intermediate = prop_values.value_counts()[1]\n",
+    "num_active = prop_values.value_counts()[2]\n",
+    "print(\n",
+    "    f\"{num_active} active compounds, {num_intermediate} intermediate and {num_inactive} inactive compounds\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Further data preparation and model training is identical to binary classification."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 11,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:30.742019967Z",
+     "start_time": "2023-12-23T21:31:20.834557210Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of samples train set: 3265\n",
+      "Number of inactive samples train set: 403\n",
+      "Number of intermediate samples train set: 1430\n",
+      "Number of active samples train set: 1432\n",
+      "Number of samples test set: 817\n",
+      "Number of inactive samples test set: 101\n",
+      "Number of intermediate samples test set: 355\n",
+      "Number of active samples test set: 361\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data import RandomSplit\n",
+    "\n",
+    "# Specifiy random split for creating the train (80%) and test set (20%)\n",
+    "rand_split = RandomSplit(test_fraction=0.2, dataset=dataset)\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=rand_split,\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    ")\n",
+    "\n",
+    "print(f\"Number of samples train set: {len(dataset.y)}\")\n",
+    "print(f\"Number of inactive samples train set: {dataset.y.value_counts()[0]}\")\n",
+    "print(f\"Number of intermediate samples train set: {dataset.y.value_counts()[1]}\")\n",
+    "print(f\"Number of active samples train set: {dataset.y.value_counts()[2]}\")\n",
+    "print(f\"Number of samples test set: {len(dataset.y_ind)}\")\n",
+    "print(f\"Number of inactive samples test set: {dataset.y_ind.value_counts()[0]}\")\n",
+    "print(f\"Number of intermediate samples test set: {dataset.y_ind.value_counts()[1]}\")\n",
+    "print(f\"Number of active samples test set: {dataset.y_ind.value_counts()[2]}\")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Make sure to use a model and a metric (here roc_auc_ovr) that supports multi-class classification."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:43.054724021Z",
+     "start_time": "2023-12-23T21:31:30.744733369Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsClassifier\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    alg=KNeighborsClassifier,\n",
+    "    name=\"ClassificationTutorialModel\"\n",
+    ")\n",
+    "\n",
+    "# We can now assess the model performance on the training set using cross validation\n",
+    "CrossValAssessor(\"roc_auc_ovr\")(model, dataset)\n",
+    "\n",
+    "# and on the test set\n",
+    "TestSetAssessor(\"roc_auc_ovr\")(model, dataset)\n",
+    "\n",
+    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
+    "model.fitDataset(dataset)\n",
+    "\n",
+    "# and save the model\n",
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Plotting the ROC curve directly with QSPRpred is not possible for multi-class classification, but we can make the `MetricPlot` in the same way as for binary classification.\n",
+    "It will plot the metric for each class, as well as the average over all classes (macro average), the global average (micro average) and the weighted average (see [scikit-learn documentation](https://scikit-learn.org/stable/modules/generated/sklearn.metrics.f1_score.html) for details), for metrics that support this."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:51.691853152Z",
+     "start_time": "2023-12-23T21:31:43.054473212Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "ClassificationTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Metric roc_auc not in summary dataframe, skipping\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 669.5x500 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import MetricsPlot\n",
+    "\n",
+    "plot = MetricsPlot([model])\n",
+    "figs, summary = plot.make(save=True, show=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "We can also plot the confusion matrix (They are plotted for each fold in the cross validation and for the test set)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2023-12-23T21:31:57.222406979Z",
+     "start_time": "2023-12-23T21:31:51.693569982Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "ClassificationTutorialModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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JgiAIOTk5gr29vRAaGlrgOcjIyBBycnKUjkMqlQphYWHysvPnzysdWx4fHx8BgLBy5coCt/n4+CiUHTx4UAAgzJo1S7h7965gbGwsdOnSpchjjI2NFQAIS5YsUSjfvXu3AEBYsGBBkfvIO778x/Lq1Suleps3b1a6tszMzISgoKBC93358mUBgLBt27Z3xuDi4iIEBAQoxZT/+ly7dq0AQLh3754gCIKQnJwsmJiYCN7e3sLr168V6ubm5r7zeMLDwwWJRCI8ePBAXhYUFCQU9lIGIEyfPl3+d5cuXQQ9PT0hLi5OXvbkyRPBxMREaNGihVLMrVu3VogpODhY0NXVFZKTkwt8PCMjI4VzcuzYMQGAcOzYMYV6BT1/hR3Hrl275Nfa23r06CFIJBIhNjZW4Xh1dHSE69evF3kuCjq/UVFRAgBh/fr17zyG932tjhs3TgAgnDp1Sl728uVLoVKlSoKrq6v8dbxw4UIBgLB161Z5vfT0dMHDw0MhltzcXKFy5cqCn5+f0rVTqVIloU2bNvKy/NdhceS9p3Xq1EmhfOTIkQIA4cqVK4IgCEJMTIygo6MjdO3aVem96O24ivteP3PmTMHIyEi4c+eOwr6mTJki6OrqCg8fPhQE4b/ryMbGRuGaDAkJEQAIXl5eQlZWlry8b9++gp6enpCRkaEU02+//SYvS0lJERwcHIS6devKywq7lt8lJCREKF++vJCUlCQvk8lkgrm5ucLnhCrXYv73oTz537c3bNgg6OjoKFx7giAIK1euFAAIf/75Z7GPK++6ePbsmTBhwgTBw8NDvu2TTz4RBg4cKAjCm9fc2++1JYmhoHPi5+cnuLm5KZQV95oqDh8fH6FGjRoKZSV5/8n/XOS93s+dO6cQm5mZWYlfi29712d5YYyMjJRyE0EQhN9//10AIBw4cECh/MyZMwIAYcuWLcV+jGJ3eaempgJAsVuP8qacjx8/XqH8q6++AgClLp7q1avLW82AN98Yqlatirt37xY3xCLljY3YvXt3sZuc4+PjER0djcDAQFhaWsrLa9eujTZt2hQ4tX7EiBEKfzdv3hwvXryQn8Pi6NevH44fPy7vPkhISCi0C0Eqlcq/deTk5ODFixfy7vz8M7jeRSqVYuDAgcWq27ZtWwwfPhxhYWHo1q0b9PX18eOPPxZ5v7zuZwsLC4Xykl5fBXn7W19GRgaeP3+ORo0aAYDCeTA3N8e5c+cK7ZrPa4E8ePBgiYYqFNfhw4fx8uVLTJkyRWlc39vdvG8fT3p6Op4/f44mTZpAEARcvny5xI+bk5ODQ4cOoUuXLgpjHx0cHNCvXz+cPn1a6RodNmyYQkzNmzdHTk4OHjx4UOLHf1/79++Hrq4uxowZo1D+1VdfQRAE/PHHHwrlPj4+qF69epH7ffv8ZmVl4cWLF/Dw8IC5uXmJXjclea3u378fDRs2RLNmzeRlxsbGGDZsGO7fv48bN27I6zk4OMjHOgGAoaGhwmQnAIiOjpZ3r7948QLPnz/H8+fPkZ6ejlatWuHkyZPv1b2WX/4WodGjR8vjBN4MY8nNzcW0adOUWkDyDzsqznv9tm3b0Lx5c1hYWMiP6fnz52jdujVycnJw8uRJhX327NlToecgr6X9888/V5iI5e3tjczMTDx+/Fjh/o6OjvLWYQAwNTXFgAEDcPnyZSQkJBRxdgrXu3dvZGVlKXSfHzp0CMnJyejdu7e8rLSuxXfZtm0bqlWrBk9PT4VzmjdG7tixY++13379+iE2Nhbnz5+X/7+w678kMbx9TlJSUvD8+XP4+Pjg7t27CkOPgLLNH0r6/pP/vo0aNVLoJbCxsUH//v1VjqukXr9+XeDE0LzPoPyrVeR9Rj9//rzYj1HshNLU1BTAm/FnxfHgwQPo6OjAw8NDodze3h7m5uZKH0jOzs5K+7CwsMC///5b3BCL1Lt3bzRt2hRDhgyBnZ0d+vTpg61bt77zDTcvzqpVqyptq1atmvzN+235jyXviSnJsbRv3x4mJibYsmULNm7ciE8++UTpXObJzc3FggULULlyZUilUlhbW8PGxgZXr15VeuG9S4UKFUo0AWf+/PmwtLREdHQ0Fi9eDFtb22LfV8g3LqOk11dBkpKSMHbsWNjZ2cHAwAA2NjaoVKkSACich7lz5+LatWtwcnJCw4YNMWPGDIU3nkqVKmH8+PFYvXo1rK2t4efnh2XLlpXoXL5LXFwcABTZjfDw4UP5FxljY2PY2NjAx8dH6XiK69mzZ3j16lWh13Jubq7SEiClcS2r6sGDB3B0dFT6slGtWjX59rflPedFef36NaZNmyYfF5X3uklOTi7R+S3Ja/XBgweFnv+3j+XBgwfw8PBQSsby3zcmJgbAm3HNNjY2CrfVq1dDJpOVynX79gxQAHB3d4eOjo58jF9cXBx0dHSKlcgX570+JiYGBw4cUDqm1q1bA3gzeeJd+8xLLp2cnAosz3/9FnSuq1SpAgAqrRXo5eUFT09PhSEiW7ZsgbW1tcJkh9K6Ft8lJiYG169fVzqneceZ/5wWV926deHp6YlNmzZh48aNsLe3L3QiR0li+PPPP9G6dWv5vAUbGxv5uP7856Qs84eSvv/kv2/+1w5QcD5R1gwMDAocK5s3Fjp/N3zeZ3T+18W7FHsMpampKRwdHXHt2rVi77wkwRQ2CzZ/4lGSx8jJyVH428DAACdPnsSxY8fw+++/48CBA9iyZQs+/fRTHDp0qNRm4qpyLHmkUim6deuGiIgI3L17951LqcyZMwdTp07FoEGDMHPmTFhaWkJHRwfjxo0rUetEScd1XL58Wf4G8Pfff6Nv375F3sfKygqA8hu6p6enfD/vq1evXjhz5gwmTpyIOnXqwNjYGLm5uWjXrp3CeejVqxeaN2+OnTt34tChQ5g3bx6+++477NixA/7+/gCA77//HoGBgdi9ezcOHTqEMWPGyMePVaxY8b1jLK6cnBy0adMGSUlJmDx5Mjw9PWFkZITHjx8jMDCwVFqdikPVa7m4r83SVNzrePTo0Vi7di3GjRuHxo0byxej79OnT4nOb0leq6UtL8558+YVuhRYSceaF0dJPmTyK841lZubizZt2ijNHs6Tl4AUtc/SeC9WVe/evTF79mw8f/4cJiYm2LNnD/r27avQcqrKtfiu19jbx5+bm4tatWrhhx9+KLB+/uS7JPr164cVK1bAxMQEvXv3VmqlLmkMcXFxaNWqFTw9PfHDDz/AyckJenp62L9/PxYsWKB0TsTwPItd3izx/PLK8s99yPuMtra2LvZjlGhSzmeffYZVq1YhKioKjRs3fmddFxcX5ObmIiYmRp7JA28GpScnJ8tnxJYGCwsLhVmWeQr65qCjo4NWrVqhVatW+OGHHzBnzhx8/fXXOHbsmPzbb/7jAN6sOZjfrVu3YG1tDSMjI9UPogD9+vXDmjVroKOjgz59+hRab/v27WjZsiV+/vlnhfLk5GSFi0GVD4H80tPTMXDgQFSvXh1NmjTB3Llz0bVr1yKXMnB2doaBgQHu3bunUF6lShVUrVoVu3fvxqJFi0r8Ifjvv//i6NGjCA0NxbRp0+TleS04+Tk4OGDkyJEYOXIknj59inr16mH27NnyhBIAatWqhVq1auGbb77BmTNn0LRpU6xcuRKzZs0qUWz5ubu7AwCuXbtWaEvW33//jTt37iAiIgIDBgyQlx8+fFipbnGfVxsbGxgaGhZ6Levo6Kj0oVKQvBbN/K/Pgl6bhR2Hi4sLjhw5gpcvXyq0EuTNLH3f95Lt27cjICAA33//vbwsIyOjwPeSohT3teri4lLo+c/bnvf/a9euQRAEhfOS/75515KpqWmB71+lJSYmRqHlNzY2Frm5ufIJT+7u7sjNzcWNGzdKtMZtYdzd3ZGWllamx/S22NhYpXN9584dACj2wvyF6d27N0JDQ/Hbb7/Bzs4OqampSteIKtfiuz7/3h7a4u7ujitXrqBVq1al+lkAvLn+p02bhvj4+HdODixuDHv37oVMJsOePXsUWh/ft1teFaq8/7i4uBT4GVTQe0BZq1OnDk6dOoXc3FyFhP/cuXMwNDRU+pKW9xn9dv5WlBItGzRp0iQYGRlhyJAhSExMVNoeFxeHRYsWAXjTDQRAaTZe3jeTgmaAvS93d3ekpKTg6tWr8rL4+HilmeQFLReR9+ZX2LIJDg4OqFOnDiIiIhRetNeuXcOhQ4fkx1kWWrZsiZkzZ2Lp0qXvXC5AV1dX6ZvYtm3blMYJ5SW+7/OBmd/kyZPx8OFDRERE4IcffoCrqysCAgKKXH6ifPnyaNCgAS5cuKC0LTQ0FC9evMCQIUOQnZ2ttP3QoUPyZTbyy/uGmv885L/+cnJylLpLbG1t4ejoKI89NTVV6fFr1aoFHR2d915e421t27aFiYkJwsPDlZZeyYu/oOMRBEH++npbcZ9XXV1dtG3bFrt371boxktMTMSmTZvQrFkz+dCD0uLi4gJdXV2lMW/Lly9XqlvYcbRv3x45OTlYunSpQvmCBQsgkUgUvgSUREGvmyVLlrxX62lxX6vt27fHX3/9haioKHlZeno6Vq1aBVdXV3mXcfv27fHkyRNs375dXu/Vq1dKPxpRv359uLu7Y/78+UhLS1N6vJIs8fQueUs65VmyZAkAyM99ly5doKOjg7CwMKXWo/dpJerVqxeioqJw8OBBpW3JyckFvj+o4smTJwqfF6mpqVi/fj3q1Kmj0lItwJsP5Fq1amHLli3YsmULHBwc0KJFC4U6qlyL7u7uOHv2LDIzM+Vl+/btUxq+0qtXLzx+/Bg//fST0j5ev36tNHSrJNzd3bFw4UKEh4e/c1WB4sZQ0PtfSkoK1q5d+94xvi9V3n/at2+Ps2fP4q+//pKXPXv2DBs3biyzeIE3+c+tW7cU1m3u0aMHEhMTFcbzPn/+HNu2bUPHjh2VxldevHgRZmZmxZoln6dELZTu7u7YtGkTevfujWrVqin8Uk7egpl562F5eXkhICAAq1atQnJyMnx8fPDXX38hIiICXbp0QcuWLUvy0O/Up08fTJ48GV27dsWYMWPw6tUrrFixAlWqVFEY0BwWFoaTJ0+iQ4cOcHFxwdOnT7F8+XJUrFhRYZB8fvPmzYO/vz8aN26MwYMHy5cNMjMzK9PuLR0dHXzzzTdF1vvss88QFhaGgQMHokmTJvj777+xceNGpUWn3d3dYW5ujpUrV8LExARGRkbw9vYu9pizPJGRkVi+fDmmT58uXxpl7dq18PX1xdSpUzF37tx33r9z5874+uuvkZqaqpDA9O7dW/6zhZcvX0bfvn3lv5Rz4MABHD16VGGdxreZmpqiRYsWmDt3LrKyslChQgUcOnRIqSX05cuXqFixInr06AEvLy8YGxvjyJEjOH/+vLx1IDIyEqNGjULPnj1RpUoVZGdnY8OGDdDV1UX37t1LdK4Ki3XBggUYMmQIPvnkE/Tr1w8WFha4cuUKXr16hYiICHh6esLd3R0TJkzA48ePYWpqit9++63AMUH169cHAIwZMwZ+fn7Q1dUttJVs1qxZ8rVYR44ciXLlyuHHH3+ETCYr8nl7H2ZmZujZsyeWLFkCiUQCd3d37Nu3r8DxWoUdR8eOHdGyZUt8/fXXuH//Pry8vHDo0CHs3r0b48aNk7fSldRnn32GDRs2wMzMDNWrV0dUVBSOHDkiH5ZREsV9rU6ZMgWbN2+Gv78/xowZA0tLS0RERODevXv47bff5C0HQ4cOxdKlSzFgwABcvHgRDg4O2LBhg9LyMTo6Oli9ejX8/f1Ro0YNDBw4EBUqVMDjx49x7NgxmJqaYu/evSU+nvzu3buHTp06oV27doiKisIvv/yCfv36wcvLC8CbMYhff/01Zs6ciebNm6Nbt26QSqU4f/48HB0d5cuwFNfEiROxZ88efPbZZ/LlX9LT0/H3339j+/btuH//fom64opSpUoVDB48GOfPn4ednR3WrFmDxMTEUktgevfujWnTpkFfXx+DBw9W6hJW5VocMmQItm/fjnbt2qFXr16Ii4vDL7/8ovS6+OKLL7B161aMGDECx44dQ9OmTZGTk4Nbt25h69atOHjwoEo/Ffv2GtSFKW4Mbdu2hZ6eHjp27Ijhw4cjLS0NP/30E2xtbQvsti1Lqrz/TJo0CRs2bEC7du0wduxY+bJBLi4uCg1gxbV06VIkJyfLJ5Tu3bsXjx49AvBm2ETeGOGQkBD5+0peC3uPHj3QqFEjDBw4EDdu3JD/Uk5OTg5CQ0OVHuvw4cPo2LFjyVqziz0f/C137twRhg4dKri6ugp6enqCiYmJ0LRpU2HJkiUKyzFkZWUJoaGhQqVKlYTy5csLTk5OQkhIiEIdQXgz1b5Dhw5Kj5N/2YPClmURBEE4dOiQULNmTUFPT0+oWrWq8MsvvygtG3T06FGhc+fOgqOjo6Cnpyc4OjoKffv2VViaoqDlTARBEI4cOSI0bdpUMDAwEExNTYWOHTsKN27cUKjz9lIKbyvuch1vL0VSmMKWDfrqq68EBwcHwcDAQGjatKkQFRVV4HI/u3fvFqpXry6UK1dO4TgLWi4hz9v7SU1NFVxcXIR69eopLMchCG+WlNHR0RGioqLeeQyJiYlCuXLlhA0bNhS4Pe95srW1FcqVKyfY2NgIHTt2FHbv3q10Ht5+nh49eiR07dpVMDc3F8zMzISePXsKT548UVguRiaTCRMnThS8vLwEExMTwcjISPDy8hKWL18u38/du3eFQYMGCe7u7oK+vr5gaWkptGzZUjhy5IhCnO+7bFCePXv2CE2aNJFfUw0bNhQ2b94s337jxg2hdevWgrGxsWBtbS0MHTpUuHLlitJxZ2dnC6NHjxZsbGwEiUSicM2/fex5Ll26JPj5+QnGxsaCoaGh0LJlS+HMmTMFxnz+/HmF8qKWTsm/bJAgCMKzZ8+E7t27C4aGhoKFhYUwfPhw4dq1ayU6jpcvXwrBwcGCo6OjUL58eaFy5crCvHnzFJakyTvewpaEyn8u/v33X2HgwIGCtbW1YGxsLPj5+Qm3bt1Sel6LWjaoMIVdD3FxcUKPHj0Ec3NzQV9fX2jYsKGwb98+pfs/ePBA6NSpk2BoaChYW1sLY8eOFQ4cOFDg+b98+bLQrVs3wcrKSpBKpYKLi4vQq1cv4ejRo/I6qiwbdOPGDaFHjx6CiYmJYGFhIYwaNUppyStBEIQ1a9YIdevWFaRSqWBhYSH4+PgIhw8flm8v7nu9ILx5zkNCQgQPDw9BT09PsLa2Fpo0aSLMnz9fyMzMFASh8HOc95zlX/qroOs6L6aDBw8KtWvXFqRSqeDp6al03/dZNihPTEyMAEAAIJw+fVppuyrXoiAIwvfffy9UqFBBkEqlQtOmTYULFy4UeE4zMzOF7777TqhRo4b8Oapfv74QGhoqpKSkFPt4Cvusy6+g12NxY9izZ49Qu3ZtQV9fX3B1dRW+++47Yc2aNUrXcEmuqaIU9jlY3PefgpZwunr1quDj4yPo6+sLFSpUEGbOnCn8/PPP77VsUN4SSQXd3t5XQEBAgftPSkoSBg8eLFhZWQmGhoaCj4+P0nu8IAjCzZs3BQBKn3lFkQgCR62S+g0ePBh37tzBqVOnNB0KERVixowZCA0NxbNnz0q1RZCIxGvcuHE4efIkLl68WKIWyhKNoSQqLdOnT8f58+dL5efhiIiISHUvXrzA6tWrMWvWrBJP3irRGEqi0uLs7FzgbwETUdlLS0srcBLP22xsbNQUjfZ5/fp1ketDWlpalmhdXzFISUlRWuA6P1UnKWlCUYvTGxgYFPiTuupQ3NdiaS1rWBQrK6si4ykME0oioo/M/PnzCxyI/7b8E9roP1u2bCnyV8WOHTsGX19f9QRUSsaOHYuIiIh31tHGUXIODg7v3B4QEIB169apJ5h8ivtaVHX5KnXgGEoioo/M3bt3i/xZumbNmin9NCi9ER8fj+vXr7+zTv369ZV+Ylbsbty4UehP0uZR19qgpenIkSPv3O7o6FisX3kqCx/Sa5EJJRERERGphJNyiIiIiEglTCiJiIiISCWclEMKbsa//89v0YcnO4cjYkiRm62RpkMgETHSK93fBS+IQd1RpbKf15eXFl2J3htbKImIiIhIJWyhJCIiIvGSsO1LGzChJCIiIvEq4S+2kGYwoSQiIiLxYgulVuCzREREREQqYQslERERiRe7vLUCE0oiIiISL3Z5awU+S0RERESkErZQEhERkXixy1srMKEkIiIi8WKXt1bgs0REREREKmELJREREYkXu7y1AhNKIiIiEi92eWsFPktEREREpBK2UBIREZF4sctbKzChJCIiIvFil7dWYEJJRERE4sUWSq3AtJ+IiIiIVMIWSiIiIhIvdnlrBSaUREREJF5MKLUCnyUiIiIiUglbKImIiEi8dDgpRxswoSQiIiLxYpe3VuCzREREREQqYQslERERiRfXodQKTCiJiIhIvNjlrRX4LBERERGRSthCSUREROLFLm+twISSiIiIxItd3lqBzxIRERGJl0RSOrcSCA8PxyeffAITExPY2tqiS5cuuH37tkKdjIwMBAUFwcrKCsbGxujevTsSExMV6jx8+BAdOnSAoaEhbG1tMXHiRGRnZ6t8SsSICSURERHRW06cOIGgoCCcPXsWhw8fRlZWFtq2bYv09HR5neDgYOzduxfbtm3DiRMn8OTJE3Tr1k2+PScnBx06dEBmZibOnDmDiIgIrFu3DtOmTdPEIZU5iSAIgqaDIPG4GZ9edCX6aGTn8O2BFLnZGmk6BBIRI72yH99o0O6HUtnP6wPj3/u+z549g62tLU6cOIEWLVogJSUFNjY22LRpE3r06AEAuHXrFqpVq4aoqCg0atQIf/zxBz777DM8efIEdnZ2AICVK1di8uTJePbsGfT09ErluMSCLZREREQkXqXU5S2TyZCamqpwk8lkxQohJSUFAGBpaQkAuHjxIrKystC6dWt5HU9PTzg7OyMqKgoAEBUVhVq1asmTSQDw8/NDamoqrl+/XlpnRzSYUBIREdEHLzw8HGZmZgq38PDwIu+Xm5uLcePGoWnTpqhZsyYAICEhAXp6ejA3N1eoa2dnh4SEBHmdt5PJvO152z40nOVNRERE4lVKs7xDQkIwfrxit7dUKi3yfkFBQbh27RpOnz5dKnF8qJhQEhERkXiV0jqUUqm0WAnk20aNGoV9+/bh5MmTqFixorzc3t4emZmZSE5OVmilTExMhL29vbzOX3/9pbC/vFngeXU+JOzyJiIiInqLIAgYNWoUdu7cicjISFSqVElhe/369VG+fHkcPXpUXnb79m08fPgQjRs3BgA0btwYf//9N54+fSqvc/jwYZiamqJ69erqORA1YgslERERiZcGFjYPCgrCpk2bsHv3bpiYmMjHPJqZmcHAwABmZmYYPHgwxo8fD0tLS5iammL06NFo3LgxGjVqBABo27Ytqlevji+++AJz585FQkICvvnmGwQFBZW4pVQbMKEkIiIi8dJAQrlixQoAgK+vr0L52rVrERgYCABYsGABdHR00L17d8hkMvj5+WH58uXyurq6uti3bx++/PJLNG7cGEZGRggICEBYWJi6DkOtuA4lKeA6lPQ2rkNJ+XEdSnqbWtah7Li86ErF8HrvyFLZDxWMLZREREQkXqU0KYfKFhNKIiIiEi8NdHlTyTGhJCIiIvFiC6VWYNpPRERERCphCyURERGJF7u8tQITSiIiIhIvdnlrBab9RERERKQStlASERGRaEnYQqkVmFASERGRaDGh1A7s8iYiIiIilbCFkoiIiMSLDZRagQklERERiRa7vLUDu7yJiIiISCVsoSQiIiLRYguldmBCSURERKLFhFI7MKGkj9Ifu7fhwO5teJoQDwBwdnVDr4BhqO/dFADw74vnWLdyIa5cOIfXr9NRwckVPT4fjCY+rTQZNqnJzs1rsXH1UnTo1hcDgyYAAH78YTauXjqHf188h76BAarU8MIXQ0ejgnMlDUdL6vI0MRGLFszHmdMnkZGRAScnZ8yYNQfVa9TSdGgfNCaU2oEJJX2UrGxs8cWwMXCs6AxBEHDs4F6Efx2MH37aDOdK7lgYPg2v0l7if3MWwNTMHCePHMD80MmY/+MvcKvsqenwqQzF3rqOw/t2wMWtskK5W5VqaN7aH9a29khLTcHW9aswc3IQlv2yF7q6uhqKltQlNSUFAwf0RYNPvLFkxU+wsLDEw4f3YWJqpunQiESBk3Loo9SwiQ8aNGoGx4rOqODkgs+HjIK+gSFu3/gbAHD72hW079YbVarVhL1jRfQaMARGxiaIu31Tw5FTWXr9+hUWzfkGI8Z/AyMTU4VtbT7rhuq168HW3hFuVaqhz8CReP40Ec8Sn2goWlKndWtWw87eAaGzwlGzVm1UqFgRjZs0g5OTs6ZD+/BJSulGZYotlFrq+fPnWLNmDaKiopCQkAAAsLe3R5MmTRAYGAgbGxsNR6g9cnJycOb4EWRkvIZnjdoAgKo1vfBn5CE0aNQcRsYm+PPYYWRmylCzTn0NR0tlafWib1GvUTPUru+N7Rt/LrRexuvXOHZwD2wdKsDKxl6NEZKmnDgeicZNmmHS+LG4ePE8bG3t0LN3X3Tr0UvToX3w2OWtHZhQaqHz58/Dz88PhoaGaN26NapUqQIASExMxOLFi/Htt9/i4MGDaNCggYYjFbf7d2MwZWQgMjMzoW9ggCkzv4eTqxsAYOL07zA/bDK+6NQSurrlINXXx5SZ38OhIlsjPlSnIw/iXuwtfLt8Q6F1Duzeil9WLUZGxms4Orlg2txlKF++vBqjJE15/OgfbN+6Gf0HBGLQ0OG4fu1vzPt2NsqXL4+OnbtqOjwijWNCqYVGjx6Nnj17YuXKlUrf3ARBwIgRIzB69GhERUW9cz8ymQwymUyhLFOWDT2ptNRjFqMKTq5YsHoz0tPTEHXiKBaHT8PsRavh5OqGTWuWIz0tDaHfr4CpmQXOnT6GeTMmY86Sn+Gab2wdab/nTxOwdtl8TJ27HHp6hV//zVv5w6t+I/yb9Bx7tm7AD2FTMGvxmnfehz4MubkCqteogdFjxwMAPKtVR1xsDLZv/ZUJZRljC6V24BhKLXTlyhUEBwcX+CKTSCQIDg5GdHR0kfsJDw+HmZmZwm3VkvllELE4lS9fHg4VneFRtTq+GDYaru5VsPe3TYh//A/279yC0ZOmw6u+Nyp5VEGfwOHwqFodf+zcqumwqQzcvXMTKclJmDSiP3q1aYhebRrixpWL2L/zV/Rq0xA5OTkAACNjEzhUdEb12vXw1fS5ePzPffx1+piGoyd1sLaxgZu7h0JZJTd3JPz/ShFUdiQSSancqGyxhVIL2dvb46+//oKnZ8Gzjf/66y/Y2dkVuZ+QkBCMHz9eoexeUnapxKiNBCEXWZlZkMkyAAASHcU3IB1dHeQKuZoIjcpYrXoN8cPqLQply+aFooKTK7r0CSh4FrcgQBAEZGVmqilK0qQ6deri/v17CmUP7t+Hg4OjhiIiEhcmlFpowoQJGDZsGC5evIhWrVrJk8fExEQcPXoUP/30E+bPL7qlUSqVQpqve1svPb1MYhabDauWoJ53E1jbOuD163ScOnIA16IvYvq8Zajo7AqHCk5Y8f1sBH4ZDBNTM5w7fRxXLpzD1+GLNB06lQEDQyM4V1JsfZLqG8DE1AzOlTyQ+OQR/jx+CF4NGsPUzBwvnj/Frs3roKenj3rezTQUNalT/wGBGPhFX/z800q08fPH9b+vYsdvW/HNtDBNh/bBY+uidmBCqYWCgoJgbW2NBQsWYPny5fLuOF1dXdSvXx/r1q1Dr16cefguyclJWDhnGv5Neg4jI2O4uFXG9HnLUKdBIwDA1O+WYP2qxZj9v3HIeP0KDhWcMCYkFA0aMXn4GJXXk+Lm39H4/bfNSE9LhZmFFarVrovZS9bAzMJS0+GRGtSoWQvzFy7B0oU/4KeVy+FYoSImTApB+886ajq0Dx/zSa0gEQRB0HQQ9P6ysrLw/PlzAIC1tbXKM05vxn8cLZRUPNk5fHsgRW62RpoOgUTESK/ssz2rgM2lsp8XEX1LZT9UMLZQarny5cvDwcFB02EQERGVCXZ5awcmlERERCRaTCi1AxNKIiIiEi0mlNqB61ASERERkUrYQklERETixQZKrcAWSiIiIhItTfxSzsmTJ9GxY0c4OjpCIpFg165dxYpp3rx58jqurq5K27/99tvSOCWixISSiIiI6C3p6enw8vLCsmXLCtweHx+vcFuzZg0kEgm6d++uUC8sLEyh3ujRo9URvkawy5uIiIhESxOTcvz9/eHv71/odnt7e4W/d+/ejZYtW8LNzU2h3MTERKnuh4otlERERCRapdXlLZPJkJqaqnCTyWQqx5eYmIjff/8dgwcPVtr27bffwsrKCnXr1sW8efOQnZ2t8uOJFRNKIiIi+uCFh4fDzMxM4RYeHq7yfiMiImBiYoJu3boplI8ZMwa//vorjh07huHDh2POnDmYNGmSyo8nVvzpRVLAn16kt/GnFyk//vQivU0dP73oOHxHqezn3uIOSi2SUqkUUqn0nfeTSCTYuXMnunTpUuB2T09PtGnTBkuWLHnnftasWYPhw4cjLS2tyMfURhxDSUREROJVSjlrcZLHkjp16hRu376NLVu2FFnX29sb2dnZuH//PqpWrVqqcYgBu7yJiIiI3sPPP/+M+vXrw8vLq8i60dHR0NHRga2trRoiUz+2UBIREZFoaWKWd1paGmJjY+V/37t3D9HR0bC0tISzszMAIDU1Fdu2bcP333+vdP+oqCicO3cOLVu2hImJCaKiohAcHIzPP/8cFhYWajsOdWJCSURERKKliYTywoULaNmypfzv8ePHAwACAgKwbt06AMCvv/4KQRDQt29fpftLpVL8+uuvmDFjBmQyGSpVqoTg4GD5fj5EnJRDCjgph97GSTmUHyfl0NvUMSnHKWh3qeznn2WdS2U/VDCOoSQiIiIilbDLm4iIiMRL/T3e9B6YUBIREZFoaWIMJZUcu7yJiIiISCVsoSQiIiLRYguldmBCSURERKLFhFI7sMubiIiIiFTCFkoiIiISLbZQagcmlERERCRezCe1Aru8iYiIiEglbKEkIiIi0WKXt3ZgQklERESixYRSOzChJCIiItFiPqkdOIaSiIiIiFTCFkoiIiISLXZ5awcmlERERCRazCe1A7u8iYiIiEglbKEkIiIi0WKXt3ZgQklERESixXxSO7DLm4iIiIhUwhZKIiIiEi0dHTZRagMmlERERCRa7PLWDuzyJiIiIiKVsIWSiIiIRIuzvLUDE0oiIiISLeaT2oEJJREREYkWWyi1A8dQEhEREZFK2EJJREREosUWSu3AhJKIiIhEi/mkdmCXNxERERGphC2UREREJFrs8tYOTCiJiIhItJhPagd2eRMRERG95eTJk+jYsSMcHR0hkUiwa9cuhe2BgYGQSCQKt3bt2inUSUpKQv/+/WFqagpzc3MMHjwYaWlpajwK9WJCSURERKKVP3F731tJpKenw8vLC8uWLSu0Trt27RAfHy+/bd68WWF7//79cf36dRw+fBj79u3DyZMnMWzYsPc6B9qAXd5EREQkWpro8vb394e/v/8760ilUtjb2xe47ebNmzhw4ADOnz+PBg0aAACWLFmC9u3bY/78+XB0dCz1mDWNLZRERET0wZPJZEhNTVW4yWSy997f8ePHYWtri6pVq+LLL7/Eixcv5NuioqJgbm4uTyYBoHXr1tDR0cG5c+dUOg6xYkJJREREolVaXd7h4eEwMzNTuIWHh79XTO3atcP69etx9OhRfPfddzhx4gT8/f2Rk5MDAEhISICtra3CfcqVKwdLS0skJCSofE7EiF3eREREJFql1eUdEhKC8ePHK5RJpdL32lefPn3k/65VqxZq164Nd3d3HD9+HK1atVIpTm3FhJKIiIhEq7TWoZRKpe+dQBbFzc0N1tbWiI2NRatWrWBvb4+nT58q1MnOzkZSUlKh4y61Hbu8iYiIiFTw6NEjvHjxAg4ODgCAxo0bIzk5GRcvXpTXiYyMRG5uLry9vTUVZpliCyUpMDcsr+kQSETcei/VdAgkMn8sCtR0CCQivlUty/wxNDHLOy0tDbGxsfK/7927h+joaFhaWsLS0hKhoaHo3r077O3tERcXh0mTJsHDwwN+fn4AgGrVqqFdu3YYOnQoVq5ciaysLIwaNQp9+vT5IGd4A2yhJCIiIhHTxDqUFy5cQN26dVG3bl0AwPjx41G3bl1MmzYNurq6uHr1Kjp16oQqVapg8ODBqF+/Pk6dOqXQpb5x40Z4enqiVatWaN++PZo1a4ZVq1aV6rkRE7ZQEhEREb3F19cXgiAUuv3gwYNF7sPS0hKbNm0qzbBEjQklERERiRZ/y1s7MKEkIiIi0SqtWd5UtjiGkoiIiIhUwhZKIiIiEi02UGoHJpREREQkWuzy1g7s8iYiIiIilbCFkoiIiESLLZTagQklERERiRbzSe3AhJKIiIhEiy2U2oFjKImIiIhIJWyhJCIiItFiA6V2YEJJREREosUub+3ALm8iIiIiUglbKImIiEi02ECpHZhQEhERkWjpMKPUCuzyJiIiIiKVsIWSiIiIRIsNlNqBCSURERGJFmd5awcmlERERCRaOswntQLHUBIRERGRSthCSURERKLFLm/twISSiIiIRIv5pHZglzcRERERqYQtlERERCRaErCJUhswoSQiIiLR4ixv7cAubyIiIiJSCVsoiYiISLQ4y1s7MKEsY3v27Cl23U6dOpVhJERERNqH+aR2YEJZxrp06VKsehKJBDk5OWUbDBEREVEZYEJZxnJzczUdAhERkdbSYROlVmBCqSEZGRnQ19fXdBhERESixnxSO3CWtxrl5ORg5syZqFChAoyNjXH37l0AwNSpU/Hzzz9rODoiIiLxkUgkpXIriZMnT6Jjx45wdHSERCLBrl275NuysrIwefJk1KpVC0ZGRnB0dMSAAQPw5MkThX24uroqxfDtt9+WxikRJSaUajR79mysW7cOc+fOhZ6enry8Zs2aWL16tQYjIyIiojzp6enw8vLCsmXLlLa9evUKly5dwtSpU3Hp0iXs2LEDt2/fLnBibVhYGOLj4+W30aNHqyN8jWCXtxqtX78eq1atQqtWrTBixAh5uZeXF27duqXByIiIiMRJE13e/v7+8Pf3L3CbmZkZDh8+rFC2dOlSNGzYEA8fPoSzs7O83MTEBPb29mUaq1iwhVKNHj9+DA8PD6Xy3NxcZGVlaSAiIiIicdORSErlJpPJkJqaqnCTyWSlEmNKSgokEgnMzc0Vyr/99ltYWVmhbt26mDdvHrKzs0vl8cSICaUaVa9eHadOnVIq3759O+rWrauBiIiIiD4O4eHhMDMzU7iFh4ervN+MjAxMnjwZffv2hampqbx8zJgx+PXXX3Hs2DEMHz4cc+bMwaRJk1R+PLFil7caTZs2DQEBAXj8+DFyc3Pl4y7Wr1+Pffv2aTo8IiIi0SmtHu+QkBCMHz9eoUwqlaq0z6ysLPTq1QuCIGDFihUK295+rNq1a0NPTw/Dhw9HeHi4yo8rRmyhVKPOnTtj7969OHLkCIyMjDBt2jTcvHkTe/fuRZs2bTQdHhERkeiU1ixvqVQKU1NThZsqiV1eMvngwQMcPnxYoXWyIN7e3sjOzsb9+/ff+zHFjC2Uata8eXOlwbxERESkPfKSyZiYGBw7dgxWVlZF3ic6Oho6OjqwtbVVQ4Tqx4RSAy5cuICbN28CeDOusn79+hqOiIiISJx0NDDLOy0tDbGxsfK/7927h+joaFhaWsLBwQE9evTApUuXsG/fPuTk5CAhIQEAYGlpCT09PURFReHcuXNo2bIlTExMEBUVheDgYHz++eewsLBQ/wGpARNKNXr06BH69u2LP//8Uz4TLDk5GU2aNMGvv/6KihUrajZAIiIikSnpouSl4cKFC2jZsqX877zxkAEBAZgxYwb27NkDAKhTp47C/Y4dOwZfX19IpVL8+uuvmDFjBmQyGSpVqoTg4GClMZwfEiaUajRkyBBkZWXh5s2bqFq1KgDg9u3bGDhwIIYMGYIDBw5oOEIiIiLy9fWFIAiFbn/XNgCoV68ezp49W9phiRoTSjU6ceIEzpw5I08mAaBq1apYsmQJmjdvrsHIiIiIxIm/5a0dmFCqkZOTU4ELmOfk5MDR0VEDEREREYmbJrq8qeS4bJAazZs3D6NHj8aFCxfkZRcuXMDYsWMxf/58DUZGREQkTjqS0rlR2WILZRmzsLBQ+HaVnp4Ob29vlCv35tRnZ2ejXLlyGDRoELp06aKhKImIiIjeHxPKMrZw4UJNh0BERKS12OWtHZhQlrGAgABNh0BERKS1mE5qByaUGpKRkYHMzEyFsqJ+tomIiIhIjJhQqlF6ejomT56MrVu34sWLF0rbc3JyNBAVERGReOmwy1srcJa3Gk2aNAmRkZFYsWIFpFIpVq9ejdDQUDg6OmL9+vWaDo+IiEh0JJLSuVHZYgulGu3duxfr16+Hr68vBg4ciObNm8PDwwMuLi7YuHEj+vfvr+kQiYiIiEqMLZRqlJSUBDc3NwBvxksmJSUBAJo1a4aTJ09qMjQiIiJRkkgkpXKjssUWSjVyc3PDvXv34OzsDE9PT2zduhUNGzbE3r17YW5urunwPiob163GyWNH8PDBPUil+qhRywvDRwfD2aWSvM7endtw5OB+xNy+iVfp6dh79E+YmHDi1IdgQu9P0KVpZVSpaInXmdk4d+MJvl5zCjGP/pXXkZbXxbfDfNDTpyqk5XVx5OIDjF16FE+TX8nrfP9lSzSq7ogaLla49U8SGgX9oonDoTLy74un2LFuOa5fikKmLAM2DhURMOYbuFauBgC4dOY4Th7YiYdxt5D+MhXfLIyAk1sVDUf94WEuqB3YQqlGAwcOxJUrVwAAU6ZMwbJly6Cvr4/g4GBMnDhRw9F9XKIvXUCXnn2w/OeNmL9kFXJysjFx9HC8fv1fspCRkYGGjZuif+AQDUZKZaF5LSes3BsNn+DN+CxkO8qV08G+2d1hKP3vO/bc4b7o4O2G/rP3oe3ErXCwMsKvUzsq7Wv9oWvYfvKOOsMnNUhPS8W8ycOhW64cRk//ATOWbkbPQWNgZGwir5Mpew2P6rXRLSBIg5ESiQNbKNUoODhY/u/WrVvj1q1buHjxIjw8PFC7dm0NRvbxmbd4pcLfU6bNQhc/H9y5eQNe9RoAAHr2/QIAcPniebXHR2Wr8zc7FP4e9v1B/LPlS9StbIc/rz2GqaEeAv1qIvC7/Thx5R95nSurB6KhpwP+uhUPAPhqxTEAgLWZIWpWslbvQVCZOvjbL7CwtkPg2G/kZdb2jgp1GrX0BwA8T4xXa2wfG87y1g5MKDXIxcUFLi4umg6DAKSlpQEATMzMNBwJaYKpoRQA8O/LDABA3cp20Cuvi8jLD+V17jz6Fw8TU+Fd7b+Ekj5cV/86hep1vfHjt/9DzPVomFtaw6d9dzT366zp0D46zCe1AxPKMrZ48eJi1x0zZkwZRkKFyc3NxdIfvkNNr7pwc6+s6XBIzSQSYN4IX5y5/hg3HrxZH9bewgiyzGykpMsU6j5NfgU7CyNNhElq9izhCU78sROtO/eBf88A3I+5iS0//YBy5cqhcasOmg7vo8IJNdqBCWUZW7BgQbHqSSSSUk0o//nnH0yfPh1r1qwptI5MJoNMJstXJoFUKi21OLTBwrmzce9uLJasitB0KKQBC4NaoYarFVp9tUXToZCICEIuXDw80XXAlwAAZ/eqePLwLk4c2MWEkqgATCjL2L179zTyuElJSYiIiHhnQhkeHo7Q0FCFsvGTv8GEkKllHZ5oLJw3G1GnT2Dxj+tga2ev6XBIzRaM/BTtvd3QesIWPH6eJi9P+DcdUr1yMDOSKrRS2pobIvHfdE2ESmpmZmENB6dKCmUOFV1x+cwxDUX08eLsYe3AhFJL7dmz553b7969W+Q+QkJCMH78eIWypIyPo2tBEAQsmj8Hp49HYuGKNXCoUFHTIZGaLRj5KTo18UDbSVvxIDFVYdvlmERkZuWgZR1n7PozBgBQuaIFnO1Mce4mx09+DNyr1ULi44cKZYlPHsLSll881Y1d3tqBCaWW6tKlCyQSCQRBKLROUS9CqVSq1L2dLmSWSnxit3DubBw5uB+z5y+CgaERXjx/DgAwNjaGVF8fAPDi+XMkJT3H43/efKjci42BgZER7OwcYMrJO1ptYdCn6N3SEz1D9yDtdSbsLAwBACnpmcjIzEbqq0ysO3gN3w3zQdLLDLx8JcMPIz/F2RtPFCbkuDmYw9igPOwsDGEgLYfabjYAgJsPXyArO1cjx0alo3XnPvhu0jDs37oODZq1wv2YGzh1cDc+D5oir5P+MgVJzxKRnPTm/SPh/xNQUwsrmFlYaSRuIk2RCO/KSEi0KlSogOXLl6Nz54JnHEZHR6N+/frIyckp0X7jUz6OhNK3Ya0CyydPmwn/z7oAANauWo6I1SveWedD59Z7qaZDKBOvD4wvsHzo9wfwy+EbAP5b2LyXr+f/L2x+H2OXHkXiv/+tVXpwbk+0qO2ktJ+qAavxMF+r54fij0WBmg5Bba6eP42d61fg6ZNHsLZzQOvOfRVmeZ85+jsiFs1Sut9nfQajY7+PY/1a36qWZf4Y43bfKpX9LOzsWSr7oYIxodRSnTp1Qp06dRAWFlbg9itXrqBu3brIzS1ZK8nHklBS8XyoCSW9v48poaSiqSOhHL+ndBLKHzoxoSxL7PLWUhMnTkR6euGTAzw8PHDsGAePExERUdnj5Ck1O3XqFD7//HM0btwYjx8/BgBs2LABp0+fLtF+mjdvjnbt2hW63cjICD4+PirFSkREpGkSiaRUblS2mFCq0W+//QY/Pz8YGBjg8uXL8jUgU1JSMGfOHA1HR0REJD46ktK5UdliQqlGs2bNwsqVK/HTTz+hfPny8vKmTZvi0qVLGoyMiIiI6P1xDKUa3b59Gy1atFAqNzMzQ3JysvoDIiIiEjn2VmsHtlCqkb29PWJjY5XKT58+DTc3Nw1EREREJG46Ekmp3KhsMaFUo6FDh2Ls2LE4d+4cJBIJnjx5go0bN2LChAn48ssvNR0eERGR6OiU0o3KFru81WjKlCnIzc1Fq1at8OrVK7Ro0QJSqRQTJkzA6NGjNR0eERER0XthQqlGEokEX3/9NSZOnIjY2FikpaWhevXqMDY21nRoREREosTeau3AVmAN0NPTQ/Xq1dGwYUMmk0RERO+giTGUJ0+eRMeOHeHo6AiJRIJdu3YpbBcEAdOmTYODgwMMDAzQunVrxMTEKNRJSkpC//79YWpqCnNzcwwePBhpaWmqng7RYgulGrVs2fKdi6tGRkaqMRoiIiIqSHp6Ory8vDBo0CB069ZNafvcuXOxePFiREREoFKlSpg6dSr8/Pxw48YN6OvrAwD69++P+Ph4HD58GFlZWRg4cCCGDRuGTZs2qftw1IIJpRrVqVNH4e+srCxER0fj2rVrCAgI0ExQREREIqaJLm9/f3/4+/sXuE0QBCxcuBDffPMNOnfuDABYv3497OzssGvXLvTp0wc3b97EgQMHcP78eTRo0AAAsGTJErRv3x7z58+Ho6Oj2o5FXZhQqtGCBQsKLJ8xY8YH3QxORET0vsT2Kzf37t1DQkICWrduLS8zMzODt7c3oqKi0KdPH0RFRcHc3FyeTAJA69atoaOjg3PnzqFr166aCL1McQylCHz++edYs2aNpsMgIiL6YMlkMqSmpirc8n4CuSQSEhIAAHZ2dgrldnZ28m0JCQmwtbVV2F6uXDlYWlrK63xomFCKQFRUlHzMBREREf2ntCblhIeHw8zMTOEWHh6u6cP7YLDLW43yD+wVBAHx8fG4cOECpk6dqqGoiIiIxKu0xlCGhIRg/PjxCmVSqbTE+7G3twcAJCYmwsHBQV6emJgonythb2+Pp0+fKtwvOzsbSUlJ8vt/aNhCqUb5vxlZWlrC19cX+/fvx/Tp0zUdHhER0QdLKpXC1NRU4fY+CWWlSpVgb2+Po0ePystSU1Nx7tw5NG7cGADQuHFjJCcn4+LFi/I6kZGRyM3Nhbe3t+oHI0JsoVSTnJwcDBw4ELVq1YKFhYWmwyEiItIKmpiUk5aWhtjYWPnf9+7dQ3R0NCwtLeHs7Ixx48Zh1qxZqFy5snzZIEdHR3Tp0gUAUK1aNbRr1w5Dhw7FypUrkZWVhVGjRqFPnz4f5AxvgAml2ujq6qJt27a4efMmE0oiIqJikkD9GeWFCxfQsmVL+d95XeUBAQFYt24dJk2ahPT0dAwbNgzJyclo1qwZDhw4oDAfYuPGjRg1ahRatWoFHR0ddO/eHYsXL1b7sagLE0o1qlmzJu7evYtKlSppOhQiIiKtoIkWSl9fXwiCUOh2iUSCsLAwhIWFFVrH0tLyg13EvCAcQ6lGs2bNwoQJE7Bv3z7Ex8crLV9AREREpI3YQqkGYWFh+Oqrr9C+fXsAQKdOnRR+glEQBEgkEuTk5GgqRCIiIlES28LmVDAmlGoQGhqKESNG4NixY5oOhYiISKtINPHbi1RiTCjVIG8cho+Pj4YjISIiIip9TCjVhN+wiIiISo5d3tqBCaWaVKlSpcikMikpSU3REBERaQe2x2gHJpRqEhoaCjMzM02HQURERFTqmFCqSZ8+fWBra6vpMIiIiLSKDpsotQITSjXg+EkiIqL3wzGU2oELm6vBu1bbJyIiItJ2bKFUg9zcXE2HQEREpJXYyacdmFASERGRaOmAGaU2YEJJREREosUWSu3AMZREREREpBK2UBIREZFocZa3dmBCSURERKLFdSi1A7u8iYiIiEglbKEkIiIi0WIDpXZgQklERESixS5v7cAubyIiIiJSCVsoiYiISLTYQKkdmFASERGRaLErVTvweSIiIiIilbCFkoiIiERLwj5vrcCEkoiIiESL6aR2YEJJREREosVlg7QDx1ASERERkUrYQklERESixfZJ7cCEkoiIiESLPd7agV3eRERERKQStlASERGRaHHZIO3AhJKIiIhEi12p2oHPExEREdFbXF1dIZFIlG5BQUEAAF9fX6VtI0aM0HDUmsUWSiIiIhItTXR5nz9/Hjk5OfK/r127hjZt2qBnz57ysqFDhyIsLEz+t6GhoVpjFBsmlERERCRamhhBaWNjo/D3t99+C3d3d/j4+MjLDA0NYW9vr+7QRItd3kRERPTBk8lkSE1NVbjJZLIi75eZmYlffvkFgwYNUmgt3bhxI6ytrVGzZk2EhITg1atXZRm+6DGhJCIiItEqaCzj+9zCw8NhZmamcAsPDy/y8Xft2oXk5GQEBgbKy/r164dffvkFx44dQ0hICDZs2IDPP/+8DM+C+EkEQRA0HQSJR0a2piMgMTkbl6TpEEhk/PtM03QIJCKvLy8t88fYcSW+VPbTwdNSqUVSKpVCKpW+835+fn7Q09PD3r17C60TGRmJVq1aITY2Fu7u7qUSr7bhGEoiIiISrdKalFOc5DG/Bw8e4MiRI9ixY8c763l7ewPAR51QssubiIiIqABr166Fra0tOnTo8M560dHRAAAHBwc1RCVObKEkIiIi0dLU7+Tk5uZi7dq1CAgIQLly/6VLcXFx2LRpE9q3bw8rKytcvXoVwcHBaNGiBWrXrq2haDWPCSURERGJlqZ+efHIkSN4+PAhBg0apFCup6eHI0eOYOHChUhPT4eTkxO6d++Ob775RjOBigQTSiIiIqJ82rZti4LmLTs5OeHEiRMaiEjcmFASERGRaOlorNObSoIJJREREYmWprq8qWQ4y5uIiIiIVMIWSiIiIhItCbu8tQITSiIiIhItdnlrB3Z5ExEREZFK2EJJREREosVZ3tqBCSURERGJFru8tQMTSiIiIhItJpTagWMoiYiIiEglbKEkIiIi0eKyQdqBCSURERGJlg7zSa3ALm8iIiIiUglbKImIiEi02OWtHZhQEhERkWhxlrd2YJc3EREREamELZREREQkWuzy1g5MKImIiEi0OMtbO7DLm4iIiIhUwhZKIiIiEi12eWsHJpREREQkWpzlrR2YUBIREZFoMZ/UDhxDSUREREQqYQslERERiZYO+7y1AhNKIiIiEi2mk9qBXd5EREREpBK2UBIREZF4sYlSKzChJCIiItHiOpTagV3eRERERKQStlASERGRaHGSt3ZgQklERESixXxSO7DLm4iIiOgtM2bMgEQiUbh5enrKt2dkZCAoKAhWVlYwNjZG9+7dkZiYqMGINY8JJREREYmXpJRuJVSjRg3Ex8fLb6dPn5ZvCw4Oxt69e7Ft2zacOHECT548Qbdu3d7/GD8A7PImIiIi0dLULO9y5crB3t5eqTwlJQU///wzNm3ahE8//RQAsHbtWlSrVg1nz55Fo0aN1B2qKLCFkoiIiERLIimdm0wmQ2pqqsJNJpMV+rgxMTFwdHSEm5sb+vfvj4cPHwIALl68iKysLLRu3Vpe19PTE87OzoiKiirz8yFWTCiJiIjogxceHg4zMzOFW3h4eIF1vb29sW7dOhw4cAArVqzAvXv30Lx5c7x8+RIJCQnQ09ODubm5wn3s7OyQkJCghiMRJ3Z5ExERkWiVVod3SEgIxo8fr1AmlUoLrOvv7y//d+3ateHt7Q0XFxds3boVBgYGpRTRh4UJJREREYlXKWWUUqm00ASyKObm5qhSpQpiY2PRpk0bZGZmIjk5WaGVMjExscAxlx8LdnkTERERvUNaWhri4uLg4OCA+vXro3z58jh69Kh8++3bt/Hw4UM0btxYg1FqFlsoiYiISLQ0Mct7woQJ6NixI1xcXPDkyRNMnz4durq66Nu3L8zMzDB48GCMHz8elpaWMDU1xejRo9G4ceOPdoY3wISSiIiIREwTP7346NEj9O3bFy9evICNjQ2aNWuGs2fPwsbGBgCwYMEC6OjooHv37pDJZPDz88Py5cvVH6iISARBEDQdBIlHRramIyAxORuXpOkQSGT8+0zTdAgkIq8vLy3zx4h++LJU9lPH2aRU9kMFYwslERERiRZ/y1s7MKEkIiIi8WJGqRU4y5uIiIiIVMIWSiIiIhItTf2WN5UME0oiIiISLU3M8qaSY0JJREREosV8UjtwDCURERERqYQtlET/7+effsTRw4dw795dSPX1UadOXYwbPwGuldw0HRqpyb8vnmLHuuW4fikKmbIM2DhURMCYb+BauRoA4NKZ4zh5YCcext1C+stUfLMwAk5uVTQcNZWGCYPaosunXqjiaofXsiycu3IXXy/ajZgHTwEAFqaGmPplB7Rq5Aknews8/zcNe49fRejyfUhNy5Dvx8neAov+1xs+Daog7bUMG/eew9Qle5CTk6upQ9N+bKLUCkwoif7fhfN/oXff/qhRqxZysnOwZNEPGDF0MHbs+R2GhoaaDo/KWHpaKuZNHo4qtepj9PQfYGJqgafx/8DI+L/FkDNlr+FRvTYaNGuFDUvDNRgtlbbm9TywcstJXLz+AOXK6SJ0VEfsWzEKdbvNwquMTDjYmMHBxgwhC3bi5t0EODtYYsnXfeBgY4Z+E38GAOjoSLBj8ZdIfJGKloHfw97GDKtnfoGs7BxMX7pXw0eovTgpRzvwl3JIAX8p5z9JSUlo2bwx1kT8gvoNPtF0OBrxMf1Szo6I5Yi7eRUTv11ZZN3nifH4emi3j7KF8mP5pRxrC2P8E/ktWg9egD8vxRVYp1vrulgzewCsmnyFnJxctG1aHTsWjYBb26/xNOnNr7sM6dEMs8Z0htOnU5CVnaPOQ1ALdfxSzvXH6aWynxoVjEplP1QwjqEkKkTayzcfCKZmZhqOhNTh6l+n4OLhiR+//R8mfNEes8YOwKmDuzUdFmmIqbE+AODflFeF1zHRR2p6hrw727t2JVyLfSJPJgHg8JmbMDMxQHV3h7IN+AMmkZTOjcoWu7yJCpCbm4u5381Bnbr1ULnyx9UC9bF6lvAEJ/7Yidad+8C/ZwDux9zElp9+QLly5dC4VQdNh0dqJJFIMG9CD5y5HIcbcfEF1rEyN0LIUH+s+e2MvMzOyhRPXyj+7vTTpNQ326xNgdtlF/OHjLmgdmBCqaVev36NixcvwtLSEtWrV1fYlpGRga1bt2LAgAHv3IdMJoNMJlMoE3SlkEqlpR6vtpkzKxRxMTFYt2GTpkMhNRGEXLh4eKLrgC8BAM7uVfHk4V2cOLCLCeVHZmFIL9TwcECrgQsK3G5ipI+di7/EzbvxmPXj72qOjkic2OWthe7cuYNq1aqhRYsWqFWrFnx8fBAf/9+36JSUFAwcOLDI/YSHh8PMzEzhNu87TjSYMysMJ08cx09rI2Bnb6/pcEhNzCys4eBUSaHMoaIr/n2WoKGISBMWTO6J9s1rwm/oYjx+mqy03dhQij3LRuLlqwz0Hv8TsrP/m72d+CIVtlYmCvVtLU3fbHueWqZxf9AkpXSjMsWEUgtNnjwZNWvWxNOnT3H79m2YmJigadOmePjwYYn2ExISgpSUFIXbxMkhZRS1+AmCgDmzwhB59DB+WhOBihWdNB0SqZF7tVpIfKz4Gkp88hCWtvxS8bFYMLknOn3qhXbDF+PBkxdK202M9LFvxShkZuWgx7gfIctUnMV47uo91PRwhI2FsbysVSNPpLx8jZt3+cXkfUlK6T8qW0wotdCZM2cQHh4Oa2treHh4YO/evfDz80Pz5s1x9+7dYu9HKpXC1NRU4fYxd3fPmRmK/fv24Nu538PI0AjPnz3D82fPkJGRUfSdSeu17twHd29fw/6t6/D0yT/468RBnDq4G77te8jrpL9MwT937yD+n3sAgITHD/HP3TtI+Vc5+SDtsjCkF/p0+AQB/1uHtPQM2FmZwM7KBPrS8gD+P5lcHgRDfT2MCN0IUyN9eR0dnTfJypGom7h5NwE/zwpArSoV0LpxNUwP+gw/bj2JzCwuoUEfNi4bpIVMTU1x7tw5VKtWTaF81KhR2L17NzZt2gRfX1/k5JR8iYqPedkgrxpVCywPmxWOzl27qTkacfiYlg0CgKvnT2Pn+hV4+uQRrO0c0LpzXzT36yzffubo74hYNEvpfp/1GYyO/YaoM1SN+VCXDSps+Zuh0zbgl73n0Lx+ZRxaPbbAOlXbT8PD+DevFWcHCyz6Xx+0qF8Z6RkybNz7F75ZvPuDXdhcHcsG3U4ofKZ9SVS153rCZYkJpRZq2LAhRo8ejS+++EJp26hRo7Bx40akpqYyoSSVfWwJJRXtQ00o6f2oI6G8U0oJZRUmlGWKXd5aqGvXrti8eXOB25YuXYq+ffuC3xOIiOiDwEk5WoEtlKSALZT0NrZQUn5soaS3qaWFMrGUWijt2EJZlrgOJREREYkWZ2hrByaUREREJFr82UTtwDGURERERKQStlASERGRaLGBUjswoSQiIiLxYkapFdjlTUREREQqYQslERERiRZneWsHJpREREQkWpzlrR3Y5U1EREREKmELJREREYkWGyi1AxNKIiIiEi9mlFqBXd5EREQkWpJS+q8kwsPD8cknn8DExAS2trbo0qULbt++rVDH19cXEolE4TZixIjSPHStwoSSiIiI6C0nTpxAUFAQzp49i8OHDyMrKwtt27ZFenq6Qr2hQ4ciPj5efps7d66GItY8dnkTERGRaGlilveBAwcU/l63bh1sbW1x8eJFtGjRQl5uaGgIe3t7dYcnSmyhJCIiItGSlNJNFSkpKQAAS0tLhfKNGzfC2toaNWvWREhICF69eqXiI2kvtlASERHRB08mk0EmkymUSaVSSKXSd94vNzcX48aNQ9OmTVGzZk15eb9+/eDi4gJHR0dcvXoVkydPxu3bt7Fjx44yiV/smFASERGRaJVWl3d4eDhCQ0MVyqZPn44ZM2a8835BQUG4du0aTp8+rVA+bNgw+b9r1aoFBwcHtGrVCnFxcXB3dy+doLUIE0oiIiISsdLJKENCQjB+/HiFsqJaJ0eNGoV9+/bh5MmTqFix4jvrent7AwBiY2OZUBIRERF9iIrTvZ1HEASMHj0aO3fuxPHjx1GpUqUi7xMdHQ0AcHBwUCVMrcWEkoiIiERLE7O8g4KCsGnTJuzevRsmJiZISEgAAJiZmcHAwABxcXHYtGkT2rdvDysrK1y9ehXBwcFo0aIFateurf6ARYAJJREREYmWJn4oZ8WKFQDeLF7+trVr1yIwMBB6eno4cuQIFi5ciPT0dDg5OaF79+745ptvNBCtODChJCIiInqLIAjv3O7k5IQTJ06oKRrtwISSiIiIREsTXd5UckwoiYiISLRK+jvcpBlMKImIiEi8mE9qBf70IhERERGphC2UREREJFpsoNQOTCiJiIhItDgpRzuwy5uIiIiIVMIWSiIiIhItzvLWDkwoiYiISLyYT2oFdnkTERERkUrYQklERESixQZK7cCEkoiIiESLs7y1A7u8iYiIiEglbKEkIiIi0eIsb+3AhJKIiIhEi13e2oFd3kRERESkEiaURERERKQSdnkTERGRaLHLWzswoSQiIiLR4qQc7cAubyIiIiJSCVsoiYiISLTY5a0dmFASERGRaDGf1A7s8iYiIiIilbCFkoiIiMSLTZRagQklERERiRZneWsHdnkTERERkUrYQklERESixVne2oEJJREREYkW80ntwISSiIiIxIsZpVbgGEoiIiIiUglbKImIiEi0OMtbOzChJCIiItHipBztwC5vIiIiIlKJRBAEQdNBEImJTCZDeHg4QkJCIJVKNR0OaRivB8qP1wSRMiaURPmkpqbCzMwMKSkpMDU11XQ4pGG8Hig/XhNEytjlTUREREQqYUJJRERERCphQklEREREKmFCSZSPVCrF9OnTOdieAPB6IGW8JoiUcVIOEREREamELZREREREpBImlERERESkEiaURERERKQSJpREREREpBImlET5LFu2DK6urtDX14e3tzf++usvTYdEGnLy5El07NgRjo6OkEgk2LVrl6ZDIg0JDw/HJ598AhMTE9ja2qJLly64ffu2psMiEg0mlERv2bJlC8aPH4/p06fj0qVL8PLygp+fH54+farp0EgD0tPT4eXlhWXLlmk6FNKwEydOICgoCGfPnsXhw4eRlZWFtm3bIj09XdOhEYkClw0ieou3tzc++eQTLF26FACQm5sLJycnjB49GlOmTNFwdKRJEokEO3fuRJcuXTQdConAs2fPYGtrixMnTqBFixaaDodI49hCSfT/MjMzcfHiRbRu3VpepqOjg9atWyMqKkqDkRGR2KSkpAAALC0tNRwJkTgwoST6f8+fP0dOTg7s7OwUyu3s7JCQkKChqIhIbHJzczFu3Dg0bdoUNWvW1HQ4RKJQTtMBEBERaZOgoCBcu3YNp0+f1nQoRKLBhJLo/1lbW0NXVxeJiYkK5YmJibC3t9dQVEQkJqNGjcK+fftw8uRJVKxYUdPhEIkGu7yJ/p+enh7q16+Po0ePystyc3Nx9OhRNG7cWIOREZGmCYKAUaNGYefOnYiMjESlSpU0HRKRqLCFkugt48ePR0BAABo0aICGDRti4cKFSE9Px8CBAzUdGmlAWloaYmNj5X/fu3cP0dHRsLS0hLOzswYjI3ULCgrCpk2bsHv3bpiYmMjHVZuZmcHAwEDD0RFpHpcNIspn6dKlmDdvHhISElCnTh0sXrwY3t7emg6LNOD48eNo2bKlUnlAQADWrVun/oBIYyQSSYHla9euRWBgoHqDIRIhJpREREREpBKOoSQiIiIilTChJCIiIiKVMKEkIiIiIpUwoSQiIiIilTChJCIiIiKVMKEkIiIiIpUwoSQiIiIilTChJKIPQmBgILp06SL/29fXF+PGjVN7HMePH4dEIkFycnKhdSQSCXbt2lXsfc6YMQN16tRRKa779+9DIpEgOjpapf0QERWECSURlZnAwEBIJBJIJBLo6enBw8MDYWFhyM7OLvPH3rFjB2bOnFmsusVJAomIqHD8LW8iKlPt2rXD2rVrIZPJsH//fgQFBaF8+fIICQlRqpuZmQk9Pb1SeVxLS8tS2Q8RERWNLZREVKakUins7e3h4uKCL7/8Eq1bt8aePXsA/NdNPXv2bDg6OqJq1aoAgH/++Qe9evWCubk5LC0t0blzZ9y/f1++z5ycHIwfPx7m5uawsrLCpEmTkP9XZPN3ectkMkyePBlOTk6QSqXw8PDAzz//jPv378t/r9vCwgISiUT+28y5ubkIDw9HpUqVYGBgAC8vL2zfvl3hcfbv348qVarAwMAALVu2VIizuCZPnowqVarA0NAQbm5umDp1KrKyspTq/fjjj3BycoKhoSF69eqFlJQUhe2rV69GtWrVoK+vD09PTyxfvrzEsRARvQ8mlESkVgYGBsjMzJT/ffToUdy+fRuHDx/Gvn37kJWVBT8/P5iYmODUqVP4888/YWxsjHbt2snv9/3332PdunVYs2YNTp8+jaSkJOzcufOdjztgwABs3rwZixcvxs2bN/Hjjz/C2NgYTk5O+O233wAAt2/fRnx8PBYtWgQACA8Px/r167Fy5Upcv34dwcHB+Pzzz3HixAkAbxLfbt26oWPHjoiOjsaQIUMwZcqUEp8TExMTrFu3Djdu3MCiRYvw008/YcGCBQp1YmNjsXXrVuzduxcHDhzA5cuXMXLkSPn2jRs3Ytq0aZg9ezZu3ryJOXPmYOrUqYiIiChxPEREJSYQEZWRgIAAoXPnzoIgCEJubq5w+PBhQSqVChMmTJBvt7OzE2Qymfw+GzZsEKpWrSrk5ubKy2QymWBgYCAcPHhQEARBcHBwEObOnSvfnpWVJVSsWFH+WIIgCD4+PsLYsWMFQRCE27dvCwCEw4cPFxjnsWPHBADCv//+Ky/LyMgQDA0NhTNnzijUHTx4sNC3b19BEAQhJCREqF69usL2yZMnK+0rPwDCzp07C90+b948oX79+vK/p0+fLujq6gqPHj2Sl/3xxx+Cjo6OEB8fLwiCILi7uwubNm1S2M/MmTOFxo0bC4IgCPfu3RMACJcvXy70cYmI3hfHUBJRmdq3bx+MjY2RlZWF3Nxc9OvXDzNmzJBvr1WrlsK4yStXriA2NhYmJiYK+8nIyEBcXBxSUlIQHx8Pb29v+bZy5cqhQYMGSt3eeaKjo6GrqwsfH59ixx0bG4tXr16hTZs2CuWZmZmoW7cuAODmzZsKcQBA48aNi/0YebZs2YLFixcjLi4OaWlpyM7OhqmpqUIdZ2dnVKhQQeFxcnNzcfv2bZiYmCAuLg6DBw/G0KFD5XWys7NhZmZW4niIiEqKCSURlamWLVtixYoV0NPTg6OjI8qVU3zbMTIyUvg7LS0N9evXx8aNG5X2ZWNj814xGBgYlPg+aWlpAIDff/9dIZED3owLLS1RUVHo378/QkND4efnBzMzM/z666/4/vvvSxzrTz/9pJTg6urqllqsRESFYUJJRGXKyMgIHh4exa5fr149bNmyBba2tkqtdHkcHBxw7tw5tGjRAsCblriLFy+iXr16BdavVasWcnNzceLECbRu3Vppe14LaU5OjrysevXqkEqlePjwYaEtm9WqVZNPMMpz9uzZog/yLWfOnIGLiwu+/vpredmDBw+U6j18+BBPnjyBo6Oj/HF0dHRQtWpV2NnZwdHREXfv3kX//v1L9PhERKWBk3KISFT69+8Pa2trdO7cGadOncK9e/dw/PhxjBkzBo8ePQIAjB07Ft9++y127dqFW7duYeTIke9cQ9LV1RUBAQEYNGgQdu3aJd/n1q1bAQAuLi6QSCTYt28fnj17hrS0NJiYmGDChAkIDg5GREQE4uLicOnSJSxZskQ+0WXEiBGIiYnBxIkTcfv2bWzatAnr1q0r0fFWrlwZDx8+xK+//oq4uDgsXry4wAlG+vr6CAgIwJUrV3Dq1CmMGTMGvXr1gr29PQAgNDQU4eHhWLx4Me7cuYO///4ba9euxQ8//FCieIiI3gcTSiISFUNDQ5w8eRLOzs7o1q0bqlWrhsGDByMjI0PeYvnVV1/hiy++QEBAABo3bgwTExN07dr1nftdsWIFevTogZEjR8LT0xNDhw5Feno6AKBChQoIDQ3FlClTYGdnh1GjRgEAZs6cialTpyI8PBzVqlVDu3bt8Pvvv6NSpUoA3oxr/O2337Br1y54eXlh5cqVmDNnTomOt1OnTggODsaoUaNQp04dnDlzBlOnTlWq5+HhgW7duqF9+/Zo27YtateurbAs0JAhQ7B69WqsXbsWtWrVgo+PD9atWyePlYioLEmEwkaxExEREREVA1soiYiIiEglTCiJiIiISCVMKImIiIhIJUwoiYiIiEglTCiJiIiISCVMKImIiIhIJUwoiYiIiEglTCiJiIiISCVMKImIiIhIJUwoiYiIiEglTCiJiIiISCVMKImIiIhIJf8HmPiHaA3PxKgAAAAASUVORK5CYII=",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 640x480 with 2 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "([<Figure size 640x480 with 2 Axes>,\n",
+       "  <Figure size 640x480 with 2 Axes>,\n",
+       "  <Figure size 640x480 with 2 Axes>,\n",
+       "  <Figure size 640x480 with 2 Axes>,\n",
+       "  <Figure size 640x480 with 2 Axes>,\n",
+       "  <Figure size 640x480 with 2 Axes>],\n",
+       " {('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   2.0): array([[ 37,  36,   6],\n",
+       "         [ 10, 195,  66],\n",
+       "         [  0,  59, 244]]),\n",
+       "  ('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   1.0): array([[ 38,  43,   6],\n",
+       "         [ 21, 201,  61],\n",
+       "         [  2,  61, 220]]),\n",
+       "  ('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   3.0): array([[ 33,  33,   7],\n",
+       "         [ 29, 191,  72],\n",
+       "         [  0,  46, 242]]),\n",
+       "  ('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   0.0): array([[ 31,  42,   3],\n",
+       "         [ 16, 204,  69],\n",
+       "         [  1,  47, 240]]),\n",
+       "  ('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   4.0): array([[ 38,  46,   4],\n",
+       "         [ 15, 207,  73],\n",
+       "         [  0,  55, 215]]),\n",
+       "  ('ClassificationTutorialModel',\n",
+       "   'pchembl_value_Mean',\n",
+       "   'Independent Test'): array([[ 44,  44,  13],\n",
+       "         [ 17, 240,  98],\n",
+       "         [  1,  69, 291]])})"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.classification import ConfusionMatrixPlot\n",
+    "\n",
+    "plot = ConfusionMatrixPlot([model])\n",
+    "plot.make(save=True, show=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/modelling/logging.ipynb b/tutorials/basics/modelling/logging.ipynb
new file mode 100644
index 00000000..4192876e
--- /dev/null
+++ b/tutorials/basics/modelling/logging.ipynb
@@ -0,0 +1,461 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Logging\n",
+    "\n",
+    "To keep track of what is happening in your code, you can use the provided logger instance:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:52:50.616170706Z",
+     "start_time": "2024-01-02T13:52:49.868229894Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - This is a warning.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.logs import logger\n",
+    "\n",
+    "logger.warning(\"This is a warning.\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "You can see the logger displays its name, the level of the message, the current file with a line number and the message itself. This logger is used throughout the codebase to keep track of what is happening, but feel free to use it for your own code as well just like in the example above. You can set the message level to `debug`, `info`, `warning`, `error` or `critical`. The default level is `warning`, so `debug` and `info` messages will not be displayed. This is useful to know when you want to debug a piece of QSPRpred code:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:52:52.796847160Z",
+     "start_time": "2024-01-02T13:52:50.615005022Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n",
+      "qsprpred - INFO - Loading data from ../../tutorial_data/A2A_LIGANDS.tsv...\n",
+      "qsprpred - WARNING - Existing data set found, but also found a data frame in store. Refusing to overwrite data. If you want to overwrite data in store, set overwrite=True.\n",
+      "qsprpred - DEBUG - Adding target property 'pchembl_value_Mean' to dataset.\n",
+      "qsprpred - DEBUG - Restoring training data...\n",
+      "qsprpred - DEBUG - Training data restored.\n",
+      "qsprpred - DEBUG - Training features shape: (3265, 0)\n",
+      "qsprpred - DEBUG - Test set features shape: (817, 0)\n",
+      "qsprpred - DEBUG - Training labels shape: (3265, 1)\n",
+      "qsprpred - DEBUG - Test set labels shape: (817, 1)\n",
+      "qsprpred - DEBUG - Training features indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set features indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - DEBUG - Training labels indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set labels indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - DEBUG - Restoring training data...\n",
+      "qsprpred - DEBUG - Training data restored.\n",
+      "qsprpred - DEBUG - Training features shape: (3265, 0)\n",
+      "qsprpred - DEBUG - Test set features shape: (817, 0)\n",
+      "qsprpred - DEBUG - Training labels shape: (3265, 1)\n",
+      "qsprpred - DEBUG - Test set labels shape: (817, 1)\n",
+      "qsprpred - DEBUG - Training features indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set features indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - DEBUG - Training labels indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set labels indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - DEBUG - Applying processor '<qsprpred.data.chem.standardization.CheckSmilesValid object at 0x7fe833d16ad0>' to 'LoggingTutorialDataset' in serial.\n",
+      "qsprpred - DEBUG - Restoring training data...\n",
+      "qsprpred - DEBUG - Training data restored.\n",
+      "qsprpred - DEBUG - Training features shape: (3265, 0)\n",
+      "qsprpred - DEBUG - Test set features shape: (817, 0)\n",
+      "qsprpred - DEBUG - Training labels shape: (3265, 1)\n",
+      "qsprpred - DEBUG - Test set labels shape: (817, 1)\n",
+      "qsprpred - DEBUG - Training features indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set features indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - DEBUG - Training labels indices: Index(['LoggingTutorialDataset_0000', 'LoggingTutorialDataset_0001',\n",
+      "       'LoggingTutorialDataset_0002', 'LoggingTutorialDataset_0003',\n",
+      "       'LoggingTutorialDataset_0004', 'LoggingTutorialDataset_0005',\n",
+      "       'LoggingTutorialDataset_0007', 'LoggingTutorialDataset_0009',\n",
+      "       'LoggingTutorialDataset_0010', 'LoggingTutorialDataset_0011',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4066', 'LoggingTutorialDataset_4067',\n",
+      "       'LoggingTutorialDataset_4068', 'LoggingTutorialDataset_4070',\n",
+      "       'LoggingTutorialDataset_4071', 'LoggingTutorialDataset_4072',\n",
+      "       'LoggingTutorialDataset_4074', 'LoggingTutorialDataset_4075',\n",
+      "       'LoggingTutorialDataset_4078', 'LoggingTutorialDataset_4080'],\n",
+      "      dtype='object', name='QSPRID', length=3265)\n",
+      "qsprpred - DEBUG - Test set labels indices: Index(['LoggingTutorialDataset_0006', 'LoggingTutorialDataset_0008',\n",
+      "       'LoggingTutorialDataset_0012', 'LoggingTutorialDataset_0014',\n",
+      "       'LoggingTutorialDataset_0017', 'LoggingTutorialDataset_0023',\n",
+      "       'LoggingTutorialDataset_0025', 'LoggingTutorialDataset_0026',\n",
+      "       'LoggingTutorialDataset_0029', 'LoggingTutorialDataset_0030',\n",
+      "       ...\n",
+      "       'LoggingTutorialDataset_4035', 'LoggingTutorialDataset_4054',\n",
+      "       'LoggingTutorialDataset_4056', 'LoggingTutorialDataset_4057',\n",
+      "       'LoggingTutorialDataset_4069', 'LoggingTutorialDataset_4073',\n",
+      "       'LoggingTutorialDataset_4076', 'LoggingTutorialDataset_4077',\n",
+      "       'LoggingTutorialDataset_4079', 'LoggingTutorialDataset_4081'],\n",
+      "      dtype='object', name='QSPRID', length=817)\n",
+      "qsprpred - INFO - Dataset 'LoggingTutorialDataset' created for target Properties: '[TargetProperty(name=pchembl_value_Mean, task=REGRESSION)]'. Number of samples: 4082. Chunk size: 4082. Number of CPUs: 1.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<qsprpred.data.tables.qspr.QSPRDataset at 0x7fe834d9dd80>"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "QSPRDataset.fromTableFile(  # no message is displayed\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"LoggingTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "# change logger for one with a lower level\n",
+    "from qsprpred.logs import setLogger\n",
+    "import logging\n",
+    "\n",
+    "logger.setLevel(logging.DEBUG)\n",
+    "setLogger(logger)\n",
+    "\n",
+    "QSPRDataset.fromTableFile(  # more information is shown\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"LoggingTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:52:52.801006856Z",
+     "start_time": "2024-01-02T13:52:52.798085430Z"
+    },
+    "collapsed": false
+   },
+   "outputs": [],
+   "source": [
+    "# set the level back to warnings only\n",
+    "\n",
+    "logger.setLevel(logging.WARNING)\n",
+    "setLogger(logger)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {
+    "collapsed": false
+   },
+   "source": [
+    "The `enable_file_logger` utility function will\n",
+    "create a file logger that will write to the file `TutorialLogging.log` in the `tutorial_output` directory."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:52:52.916439691Z",
+     "start_time": "2024-01-02T13:52:52.800322763Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "# logging settings\n",
+    "from qsprpred.logs import logger\n",
+    "import logging\n",
+    "from qsprpred.logs import setLogger\n",
+    "from qsprpred.logs.utils import enable_file_logger\n",
+    "\n",
+    "logSettings = enable_file_logger(\n",
+    "    log_folder=\"../../tutorial_output/\",\n",
+    "    filename=\"TutorialLogging.log\",\n",
+    "    debug=False,\n",
+    "    disable_existing_loggers=False\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "A utility function is provided to save your conda environment to a file. This is useful if you want to share your code with others, or if you want to recreate your environment at a later time."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:52:57.200644968Z",
+     "start_time": "2024-01-02T13:52:52.918730795Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Environment exported to ../../tutorial_output/TutorialLoggingEnvironment.yml successfully!\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.logs.utils import export_conda_environment\n",
+    "\n",
+    "# save the environment to a yaml file\n",
+    "export_conda_environment(\"../../tutorial_output/TutorialLoggingEnvironment.yml\")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Below we run a standard data preparation and modelling workflow to show logging output."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:53:07.593653873Z",
+     "start_time": "2024-01-02T13:52:57.203105287Z"
+    }
+   },
+   "outputs": [],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data import RandomSplit\n",
+    "from qsprpred.data import QSPRDataset\n",
+    "\n",
+    "import os\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"LoggingTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    ")\n",
+    "\n",
+    "_ = dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2024-01-02T13:53:20.636361248Z",
+     "start_time": "2024-01-02T13:53:07.597306132Z"
+    }
+   },
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n",
+      "Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Standard model training\n",
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name=\"TutorialLoggingModel\"\n",
+    ")\n",
+    "\n",
+    "CrossValAssessor(\"r2\")(model, dataset)\n",
+    "TestSetAssessor(\"r2\")(model, dataset)\n",
+    "\n",
+    "model.fitDataset(dataset)\n",
+    "\n",
+    "_ = model.save()"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/basics/modelling/model_assessment.ipynb b/tutorials/basics/modelling/model_assessment.ipynb
new file mode 100644
index 00000000..8d6b6f40
--- /dev/null
+++ b/tutorials/basics/modelling/model_assessment.ipynb
@@ -0,0 +1,469 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Model assessment\n",
+    "\n",
+    "To assess the performance of the QSPR models, there are two methods available in `QSPRpred`\n",
+    "from the [`assessment.methods`](https://cddleiden.github.io/QSPRpred/docs/api/qsprpred.models.html#module-qsprpred.models.assessment.methods) module:\n",
+    "* CrossValAssessor: Performs cross validation on a dataset\n",
+    "* TestSetAssessor: Performs predictions on a test set\n",
+    "\n",
+    "In this notebook, we will demonstrate how to use these methods.\n",
+    "Let's start by loading the data and creating the model we want to assess."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>AssessmentTutorialDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>AssessmentTutorialDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>AssessmentTutorialDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>AssessmentTutorialDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>AssessmentTutorialDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>AssessmentTutorialDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>AssessmentTutorialDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>AssessmentTutorialDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>AssessmentTutorialDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>AssessmentTutorialDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>AssessmentTutorialDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                           SMILES  \\\n",
+       "QSPRID                                                                              \n",
+       "AssessmentTutorialDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "AssessmentTutorialDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "AssessmentTutorialDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "AssessmentTutorialDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "AssessmentTutorialDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                           ...   \n",
+       "AssessmentTutorialDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "AssessmentTutorialDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "AssessmentTutorialDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "AssessmentTutorialDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "AssessmentTutorialDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                                pchembl_value_Mean    Year  \\\n",
+       "QSPRID                                                       \n",
+       "AssessmentTutorialDataset_0000                8.68  2008.0   \n",
+       "AssessmentTutorialDataset_0001                4.82  2010.0   \n",
+       "AssessmentTutorialDataset_0002                5.65  2009.0   \n",
+       "AssessmentTutorialDataset_0003                5.45  2009.0   \n",
+       "AssessmentTutorialDataset_0004                5.20  2019.0   \n",
+       "...                                            ...     ...   \n",
+       "AssessmentTutorialDataset_4077                7.09  2018.0   \n",
+       "AssessmentTutorialDataset_4078                8.22  2008.0   \n",
+       "AssessmentTutorialDataset_4079                4.89  2010.0   \n",
+       "AssessmentTutorialDataset_4080                6.51  2013.0   \n",
+       "AssessmentTutorialDataset_4081                7.35  2014.0   \n",
+       "\n",
+       "                                                        QSPRID  \\\n",
+       "QSPRID                                                           \n",
+       "AssessmentTutorialDataset_0000  AssessmentTutorialDataset_0000   \n",
+       "AssessmentTutorialDataset_0001  AssessmentTutorialDataset_0001   \n",
+       "AssessmentTutorialDataset_0002  AssessmentTutorialDataset_0002   \n",
+       "AssessmentTutorialDataset_0003  AssessmentTutorialDataset_0003   \n",
+       "AssessmentTutorialDataset_0004  AssessmentTutorialDataset_0004   \n",
+       "...                                                        ...   \n",
+       "AssessmentTutorialDataset_4077  AssessmentTutorialDataset_4077   \n",
+       "AssessmentTutorialDataset_4078  AssessmentTutorialDataset_4078   \n",
+       "AssessmentTutorialDataset_4079  AssessmentTutorialDataset_4079   \n",
+       "AssessmentTutorialDataset_4080  AssessmentTutorialDataset_4080   \n",
+       "AssessmentTutorialDataset_4081  AssessmentTutorialDataset_4081   \n",
+       "\n",
+       "                                pchembl_value_Mean_original  \n",
+       "QSPRID                                                       \n",
+       "AssessmentTutorialDataset_0000                         8.68  \n",
+       "AssessmentTutorialDataset_0001                         4.82  \n",
+       "AssessmentTutorialDataset_0002                         5.65  \n",
+       "AssessmentTutorialDataset_0003                         5.45  \n",
+       "AssessmentTutorialDataset_0004                         5.20  \n",
+       "...                                                     ...  \n",
+       "AssessmentTutorialDataset_4077                         7.09  \n",
+       "AssessmentTutorialDataset_4078                         8.22  \n",
+       "AssessmentTutorialDataset_4079                         4.89  \n",
+       "AssessmentTutorialDataset_4080                         6.51  \n",
+       "AssessmentTutorialDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "import os\n",
+    "\n",
+    "from IPython.display import display\n",
+    "\n",
+    "from qsprpred.data import QSPRDataset, RandomSplit\n",
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset.fromTableFile(\n",
+    "    filename=\"../../tutorial_data/A2A_LIGANDS.tsv\",\n",
+    "    store_dir=\"../../tutorial_output/data\",\n",
+    "    name=\"AssessmentTutorialDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "display(dataset.getDF())\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=RandomSplit(test_fraction=0.2, dataset=dataset),\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    "    recalculate_features=True,\n",
+    ")\n",
+    "\n",
+    "dataset.getDF().head()\n",
+    "\n",
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "\n",
+    "os.makedirs(\"../../tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"../../tutorial_output/models\",\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name=\"AssessmentTutorialModel\",\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Cross-validation\n",
+    "Now we will assess our model using cross-validation. We will use the `CrossValAssessor` class for this.\n",
+    "The `CrossValAssessor` class takes a model as input and uses the attached dataset. The training dataset is split into a number of folds, and the model is trained on each fold. The performance of the model is then assessed on the fold that was not used for training,\n",
+    "and the results are stored in a file `{model_name}_cv.tsv`.\n",
+    "\n",
+    "Note. if the dataset was not split into a train and a test set, the whole dataset is used for cross-validation.\n",
+    "\n",
+    "To score the performance of the model, we need to provide a scoring function to the `CrossValAssessor`. \n",
+    "In most examples throughout these tutorials we will pass a string to use one of the predefined [sckikit learn scoring functions](https://scikit-learn.org/stable/modules/model_evaluation.html).\n",
+    "\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n"
+     ]
+    },
+    {
+     "data": {
+      "text/plain": [
+       "array([0.63378212, 0.64599353, 0.67213109, 0.65261028, 0.57733319])"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import CrossValAssessor\n",
+    "\n",
+    "# Create a CrossValAssessor object\n",
+    "CrossValAssessor(\"r2\")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Internally, the ModelAssessor wraps the scikit learn scoring functions in the `SklearnMetrics` class, which converts QSPRpred model predictions to the format expected by scikit learn scoring functions.\n",
+    "You can also explicitly pass a `SklearnMetrics` object to the `CrossValAssessor` and initialize with a string, as shown below:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.63378212, 0.64599353, 0.67213109, 0.65261028, 0.57733319])"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import CrossValAssessor\n",
+    "from qsprpred.models import SklearnMetrics\n",
+    "\n",
+    "score_func = SklearnMetrics(\"r2\")\n",
+    "\n",
+    "# Create a CrossValAssessor object\n",
+    "CrossValAssessor(score_func)(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Or intialize the `SklearnMetrics` object with a scikit learn scoring function, as shown below:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.63378212, 0.64599353, 0.67213109, 0.65261028, 0.57733319])"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from sklearn.metrics import make_scorer, r2_score\n",
+    "\n",
+    "score_func = SklearnMetrics(make_scorer(r2_score))\n",
+    "\n",
+    "CrossValAssessor(score_func)(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Furthermore, we can specify the splitting strategy. \n",
+    "By default, the dataset is split into 5 folds using a shuffle split.\n",
+    "You can find more information on how to split the data in the [data splitting tutorial](../data/data_splitting.ipynb).\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.63570264, 0.66704785, 0.63166829, 0.66808678, 0.61509333,\n",
+       "       0.70523338, 0.62394155, 0.68179023, 0.54670711, 0.59884993])"
+      ]
+     },
+     "execution_count": 5,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from sklearn.model_selection import KFold\n",
+    "\n",
+    "split = KFold(n_splits=10, shuffle=True, random_state=dataset.randomState)\n",
+    "CrossValAssessor(\"r2\", split=split)(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Test set validation\n",
+    "To assess the performance of the model on the specified test set, we can use the `TestSetAssessor` class.\n",
+    "It works in a similar way as the `CrossValAssessor`, but instead of splitting the dataset into folds, it uses the complete training set to train the model, and then uses the associated test set to assess the performance of the model.\n",
+    "It therefore does not require a splitting strategy, but it does require a test set to have been defined in the dataset by performing an initial split during dataset preparation.\n",
+    "The results are stored in a file `{model_name}.ind.tsv` (\"ind\" from independent test set)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([0.6306765])"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.models import TestSetAssessor\n",
+    "\n",
+    "TestSetAssessor(\"r2\")(model, dataset)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## More information\n",
+    "These two classes are subclasses of the `ModelAssessor` class, which contains the shared functionality.\n",
+    "To customize the behavior of the assessors, you can create a subclass the `ModelAssessor` class.\n",
+    "Furthermore, the `ModelAssessor` objects can be used to assess the model performance\n",
+    "in hyperparameter optimization, as is shown in the [hyperparameter optimization tutorial](../../advanced/modelling/hyperparameter_optimization.ipynb)."
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "qsprpred",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}
diff --git a/tutorials/figures/EarlyStopping.png b/tutorials/figures/EarlyStopping.png
new file mode 100644
index 00000000..c802e309
Binary files /dev/null and b/tutorials/figures/EarlyStopping.png differ
diff --git a/tutorials/quick_start.ipynb b/tutorials/quick_start.ipynb
new file mode 100644
index 00000000..d00e3319
--- /dev/null
+++ b/tutorials/quick_start.ipynb
@@ -0,0 +1,776 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Quick start guide to QSPRpred"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Welcome to the quick start guide to QSPRpred.\n",
+    "Here we will cover the fundamentals of using QSPRpred.\n",
+    "We will show you how to create a dataset, train a Quantitative Structure-Property Relationship (QSPR) model, and make predictions.\n",
+    "This tutorial is not meant as an introduction to QSPR modelling and assumes a base level of knowledge on the topic. If you are interested in getting started with QSPR modelling, you could have a look at these [TeachOpenCADD tutorials](https://projects.volkamerlab.org/teachopencadd/).\n",
+    "\n",
+    "While this tutorial provides a good starting point, there are many additional features that are not covered here.\n",
+    "For more in-depth information, you can explore [the other tutorials](README.md) and consult the [documentation](https://cddleiden.github.io/QSPRpred/docs/).\n"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Creating a dataset\n",
+    "In this tutorial, we will work with a dataset containing bioactivity data for various compounds tested on the human adenosine A2A receptor. The data was collected from [Papyrus](https://github.com/OlivierBeq/Papyrus-scripts), a curated bioactivity database. The tutorial data is available through [OneDrive](https://1drv.ms/u/s!AtzWqu0inkjX3QRxXOkTFNv7IV7u?e=PPj0O2) (just unzip and place the two datasets `A2A_LIGANDS.tsv` and `AR_LIGANDS.tsv` in the `tutorial_data` folder) or recreate the dataset yourself by running `tutorial_data/create_tutorial_data.py`.\n",
+    "\n",
+    "To start we will load the tsv file containing the dataset."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/tmp/ipykernel_338596/1794757995.py:1: DeprecationWarning: \n",
+      "Pyarrow will become a required dependency of pandas in the next major release of pandas (pandas 3.0),\n",
+      "(to allow more performant data types, such as the Arrow string type, and better interoperability with other libraries)\n",
+      "but was not found to be installed on your system.\n",
+      "If this would cause problems for you,\n",
+      "please provide us feedback at https://github.com/pandas-dev/pandas/issues/54466\n",
+      "        \n",
+      "  import pandas as pd\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
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+       "\n",
+       "    .dataframe tbody tr th {\n",
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+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                              SMILES  pchembl_value_Mean  \\\n",
+       "0  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...                8.68   \n",
+       "1  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...                4.82   \n",
+       "2   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1                5.65   \n",
+       "3  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...                5.45   \n",
+       "4  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...                5.20   \n",
+       "\n",
+       "     Year  \n",
+       "0  2008.0  \n",
+       "1  2010.0  \n",
+       "2  2009.0  \n",
+       "3  2009.0  \n",
+       "4  2019.0  "
+      ]
+     },
+     "execution_count": 1,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import pandas as pd\n",
+    "\n",
+    "df = pd.read_csv('tutorial_data/A2A_LIGANDS.tsv', sep='\\t')\n",
+    "\n",
+    "df.head()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Now we will create a `QSPRDataset` object from the data.\n",
+    "This object contains the data and metadata for the dataset, and can be used to train a QSPR model. Note that the modelling task (regression) and the target property (pchembl_value_Mean) are specified when creating the dataset.\n",
+    "We set a random seed to ensure reproducibility, which is used for any random processes in the data preparation, such as splitting the data into training and test sets and shuffling of the dataframe."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "Failed to find the pandas get_adjustment() function to patch\n",
+      "Failed to patch pandas - PandasTools will have limited functionality\n"
+     ]
+    },
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
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+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
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+       "\n",
+       "    .dataframe thead th {\n",
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+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>SMILES</th>\n",
+       "      <th>pchembl_value_Mean</th>\n",
+       "      <th>Year</th>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th>pchembl_value_Mean_original</th>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QSPRID</th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "      <th></th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0000</th>\n",
+       "      <td>Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...</td>\n",
+       "      <td>8.68</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_0000</td>\n",
+       "      <td>8.68</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0001</th>\n",
+       "      <td>Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...</td>\n",
+       "      <td>4.82</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>QuickStartDataset_0001</td>\n",
+       "      <td>4.82</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0002</th>\n",
+       "      <td>O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1</td>\n",
+       "      <td>5.65</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>QuickStartDataset_0002</td>\n",
+       "      <td>5.65</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0003</th>\n",
+       "      <td>CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...</td>\n",
+       "      <td>5.45</td>\n",
+       "      <td>2009.0</td>\n",
+       "      <td>QuickStartDataset_0003</td>\n",
+       "      <td>5.45</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_0004</th>\n",
+       "      <td>CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...</td>\n",
+       "      <td>5.20</td>\n",
+       "      <td>2019.0</td>\n",
+       "      <td>QuickStartDataset_0004</td>\n",
+       "      <td>5.20</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>...</th>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "      <td>...</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4077</th>\n",
+       "      <td>CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12</td>\n",
+       "      <td>7.09</td>\n",
+       "      <td>2018.0</td>\n",
+       "      <td>QuickStartDataset_4077</td>\n",
+       "      <td>7.09</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4078</th>\n",
+       "      <td>Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1</td>\n",
+       "      <td>8.22</td>\n",
+       "      <td>2008.0</td>\n",
+       "      <td>QuickStartDataset_4078</td>\n",
+       "      <td>8.22</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4079</th>\n",
+       "      <td>Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1</td>\n",
+       "      <td>4.89</td>\n",
+       "      <td>2010.0</td>\n",
+       "      <td>QuickStartDataset_4079</td>\n",
+       "      <td>4.89</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4080</th>\n",
+       "      <td>CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1</td>\n",
+       "      <td>6.51</td>\n",
+       "      <td>2013.0</td>\n",
+       "      <td>QuickStartDataset_4080</td>\n",
+       "      <td>6.51</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>QuickStartDataset_4081</th>\n",
+       "      <td>CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12</td>\n",
+       "      <td>7.35</td>\n",
+       "      <td>2014.0</td>\n",
+       "      <td>QuickStartDataset_4081</td>\n",
+       "      <td>7.35</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "<p>4082 rows × 5 columns</p>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "                                                                   SMILES  \\\n",
+       "QSPRID                                                                      \n",
+       "QuickStartDataset_0000  Cc1nn(-c2cc(NC(=O)CCN(C)C)nc(-c3ccc(C)o3)n2)c(...   \n",
+       "QuickStartDataset_0001  Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1cc1CCCC...   \n",
+       "QuickStartDataset_0002   O=C(Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1   \n",
+       "QuickStartDataset_0003  CNC(=O)C12CC1C(n1cnc3c1nc(C#CCCCCC(=O)OC)nc3NC...   \n",
+       "QuickStartDataset_0004  CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCNC(=O)c2ccc(...   \n",
+       "...                                                                   ...   \n",
+       "QuickStartDataset_4077     CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(-c3ccco3)nn12   \n",
+       "QuickStartDataset_4078         Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1   \n",
+       "QuickStartDataset_4079              Nc1nc(Nc2ccc(F)cc2)nc(CSc2nnc(N)s2)n1   \n",
+       "QuickStartDataset_4080      CCCOc1ccc(C=Cc2cc3c(c(=O)n(C)c(=O)n3C)n2C)cc1   \n",
+       "QuickStartDataset_4081           CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12   \n",
+       "\n",
+       "                        pchembl_value_Mean    Year                  QSPRID  \\\n",
+       "QSPRID                                                                       \n",
+       "QuickStartDataset_0000                8.68  2008.0  QuickStartDataset_0000   \n",
+       "QuickStartDataset_0001                4.82  2010.0  QuickStartDataset_0001   \n",
+       "QuickStartDataset_0002                5.65  2009.0  QuickStartDataset_0002   \n",
+       "QuickStartDataset_0003                5.45  2009.0  QuickStartDataset_0003   \n",
+       "QuickStartDataset_0004                5.20  2019.0  QuickStartDataset_0004   \n",
+       "...                                    ...     ...                     ...   \n",
+       "QuickStartDataset_4077                7.09  2018.0  QuickStartDataset_4077   \n",
+       "QuickStartDataset_4078                8.22  2008.0  QuickStartDataset_4078   \n",
+       "QuickStartDataset_4079                4.89  2010.0  QuickStartDataset_4079   \n",
+       "QuickStartDataset_4080                6.51  2013.0  QuickStartDataset_4080   \n",
+       "QuickStartDataset_4081                7.35  2014.0  QuickStartDataset_4081   \n",
+       "\n",
+       "                        pchembl_value_Mean_original  \n",
+       "QSPRID                                               \n",
+       "QuickStartDataset_0000                         8.68  \n",
+       "QuickStartDataset_0001                         4.82  \n",
+       "QuickStartDataset_0002                         5.65  \n",
+       "QuickStartDataset_0003                         5.45  \n",
+       "QuickStartDataset_0004                         5.20  \n",
+       "...                                             ...  \n",
+       "QuickStartDataset_4077                         7.09  \n",
+       "QuickStartDataset_4078                         8.22  \n",
+       "QuickStartDataset_4079                         4.89  \n",
+       "QuickStartDataset_4080                         6.51  \n",
+       "QuickStartDataset_4081                         7.35  \n",
+       "\n",
+       "[4082 rows x 5 columns]"
+      ]
+     },
+     "execution_count": 2,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "from qsprpred.data import QSPRDataset\n",
+    "import os\n",
+    "\n",
+    "os.makedirs(\"tutorial_output/data\", exist_ok=True)\n",
+    "\n",
+    "dataset = QSPRDataset(\n",
+    "    df=df,\n",
+    "    store_dir=\"tutorial_output/data\",\n",
+    "    name=\"QuickStartDataset\",\n",
+    "    target_props=[{\"name\": \"pchembl_value_Mean\", \"task\": \"REGRESSION\"}],\n",
+    "    random_state=42\n",
+    ")\n",
+    "\n",
+    "dataset.getDF()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After creating the dataset, we need to prepare it for model training.\n",
+    "To do this we need to specifiy what molecule descriptors to calculate as features for the model.\n",
+    "Here we will calculate Morgan fingerprints.\n",
+    "We will also specify what type of split to use to split the data into training and test sets.\n",
+    "In this example we will use a random split with 80% of the data for training and 20% for testing.\n",
+    "\n",
+    "Finally, we will save the dataset so we can re-load it later for reproducibility and good data management purposes.\n",
+    "This also means we can skip the data preparation step next time we want to train a model on this dataset."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Number of samples in train set: 3265\n",
+      "Number of samples in test set: 817\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.data.descriptors.fingerprints import MorganFP\n",
+    "from qsprpred.data import RandomSplit\n",
+    "\n",
+    "# Specifiy random split for creating the train (80%) and test set (20%)\n",
+    "rand_split = RandomSplit(test_fraction=0.2, dataset=dataset)\n",
+    "\n",
+    "# calculate compound features and split dataset into train and test\n",
+    "dataset.prepareDataset(\n",
+    "    split=rand_split,\n",
+    "    feature_calculators=[MorganFP(radius=3, nBits=2048)],\n",
+    ")\n",
+    "\n",
+    "print(f\"Number of samples in train set: {len(dataset.y)}\")\n",
+    "print(f\"Number of samples in test set: {len(dataset.y_ind)}\")\n",
+    "\n",
+    "dataset.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Training a model"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Having successfully created a dataset, we can now train a QSAR model.\n",
+    "Here we will train a model using the `KNeighborsRegressor` estimator from scikit-learn.\n",
+    "\n",
+    "To do this we first need to create a `QSPRModel` object, which contains the estimator and metadata for the model.\n",
+    "We will use the `SklearnModel` subclass, which is a wrapper for scikit-learn models.\n",
+    "\n",
+    "In this example: the training of our model is divided into three steps:\n",
+    "* cross-validation: estimate the performance of the model on the training set\n",
+    "* test set evaluation: estimate the performance of the model on the test set\n",
+    "* full training: train the model on the full dataset, to be used for making predictions"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "qsprpred - WARNING - Random state supplied, but alg <class 'sklearn.neighbors._regression.KNeighborsRegressor'> does not support it. Ignoring this setting.\n"
+     ]
+    }
+   ],
+   "source": [
+    "from qsprpred.models import SklearnModel\n",
+    "from sklearn.neighbors import KNeighborsRegressor\n",
+    "from qsprpred.models import CrossValAssessor, TestSetAssessor\n",
+    "\n",
+    "os.makedirs(\"tutorial_output/models\", exist_ok=True)\n",
+    "\n",
+    "# This is an SKlearn model, so we will initialize it with the SklearnModel class\n",
+    "model = SklearnModel(\n",
+    "    base_dir=\"tutorial_output/models\",\n",
+    "    alg=KNeighborsRegressor,\n",
+    "    name=\"QuickStartModel\"\n",
+    ")\n",
+    "\n",
+    "# We can now assess the model performance on the training set using cross validation\n",
+    "CrossValAssessor(\"r2\")(model, dataset)\n",
+    "\n",
+    "# and on the test set\n",
+    "TestSetAssessor(\"r2\")(model, dataset)\n",
+    "\n",
+    "# Finally, we need to fit the model on the complete dataset if we want to use it further\n",
+    "# This will save the fitted model and metadata to disk\n",
+    "model.fitDataset(dataset)\n",
+    "\n",
+    "# We can optionally save the model and metadata to disk explicitly as well\n",
+    "_ = model.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The results can be easily visualized using the `CorrelationPlot` class"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "QuickStartModel\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 569.5x400 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    },
+    {
+     "data": {
+      "text/plain": [
+       "<Figure size 640x480 with 0 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "from qsprpred.plotting.regression import CorrelationPlot\n",
+    "\n",
+    "plot = CorrelationPlot([model])\n",
+    "axes, summary = plot.make(save=False, show=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "In addition, the plot provides a summary of some commonly used metrics:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/html": [
+       "<div>\n",
+       "<style scoped>\n",
+       "    .dataframe tbody tr th:only-of-type {\n",
+       "        vertical-align: middle;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe tbody tr th {\n",
+       "        vertical-align: top;\n",
+       "    }\n",
+       "\n",
+       "    .dataframe thead th {\n",
+       "        text-align: right;\n",
+       "    }\n",
+       "</style>\n",
+       "<table border=\"1\" class=\"dataframe\">\n",
+       "  <thead>\n",
+       "    <tr style=\"text-align: right;\">\n",
+       "      <th></th>\n",
+       "      <th>Model</th>\n",
+       "      <th>Fold</th>\n",
+       "      <th>Property</th>\n",
+       "      <th>R2</th>\n",
+       "      <th>RMSE</th>\n",
+       "      <th>Set</th>\n",
+       "    </tr>\n",
+       "  </thead>\n",
+       "  <tbody>\n",
+       "    <tr>\n",
+       "      <th>0</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>0.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.633782</td>\n",
+       "      <td>0.701094</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>1</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>1.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.645993</td>\n",
+       "      <td>0.699828</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>2</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>2.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.672131</td>\n",
+       "      <td>0.657003</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>3</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>3.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.652610</td>\n",
+       "      <td>0.670251</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>4</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>4.0</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.577333</td>\n",
+       "      <td>0.761446</td>\n",
+       "      <td>Cross Validation</td>\n",
+       "    </tr>\n",
+       "    <tr>\n",
+       "      <th>5</th>\n",
+       "      <td>QuickStartModel</td>\n",
+       "      <td>Independent Test</td>\n",
+       "      <td>pchembl_value_Mean</td>\n",
+       "      <td>0.630676</td>\n",
+       "      <td>0.713425</td>\n",
+       "      <td>Independent Test</td>\n",
+       "    </tr>\n",
+       "  </tbody>\n",
+       "</table>\n",
+       "</div>"
+      ],
+      "text/plain": [
+       "             Model              Fold            Property        R2      RMSE  \\\n",
+       "0  QuickStartModel               0.0  pchembl_value_Mean  0.633782  0.701094   \n",
+       "1  QuickStartModel               1.0  pchembl_value_Mean  0.645993  0.699828   \n",
+       "2  QuickStartModel               2.0  pchembl_value_Mean  0.672131  0.657003   \n",
+       "3  QuickStartModel               3.0  pchembl_value_Mean  0.652610  0.670251   \n",
+       "4  QuickStartModel               4.0  pchembl_value_Mean  0.577333  0.761446   \n",
+       "5  QuickStartModel  Independent Test  pchembl_value_Mean  0.630676  0.713425   \n",
+       "\n",
+       "                Set  \n",
+       "0  Cross Validation  \n",
+       "1  Cross Validation  \n",
+       "2  Cross Validation  \n",
+       "3  Cross Validation  \n",
+       "4  Cross Validation  \n",
+       "5  Independent Test  "
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "summary"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Making predictions"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "After training the model, we can use it to make predictions on new compounds."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[6.39 ],\n",
+       "       [5.202],\n",
+       "       [6.424]])"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "smiles_list = [\"c1(cc(c(O)cc1)O)CCN\", \"CC(=O)OC1=CC=CC=C1C(=O)O\",\n",
+    "               \"CC(C)CC1=CC=C(C=C1)C(C)C(=O)O\"]\n",
+    "\n",
+    "model.predictMols(smiles_list)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Reloading\n",
+    "\n",
+    "The `QSPRDataset` and `QSPRModel` objects can be easily reloaded from disk using the `fromFile` methods as long as they had been save before."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "dataset = QSPRDataset.fromFile(\n",
+    "    \"./tutorial_output/data/QuickStartDataset/QuickStartDataset_meta.json\")\n",
+    "model = SklearnModel.fromFile(\n",
+    "    \"./tutorial_output/models/QuickStartModel/QuickStartModel_meta.json\")\n",
+    "# or\n",
+    "dataset = QSPRDataset(\n",
+    "    name=\"QuickStartDataset\",\n",
+    "    store_dir=\"./tutorial_output/data/\",\n",
+    ")\n",
+    "model = SklearnModel(\n",
+    "    name=\"QuickStartModel\",\n",
+    "    base_dir=\"./tutorial_output/models/\"\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "The loaded model can naturally be used for prediction again just as shown above:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "array([[6.39 ],\n",
+       "       [5.202],\n",
+       "       [6.424]])"
+      ]
+     },
+     "execution_count": 9,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "model.predictMols(smiles_list)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## What's next?\n",
+    "\n",
+    "This tutorial has covered the basics of using QSPRpred. If you are new to QSPRpred and interested in learning more, we recommend you check out the [data representation tutorial](basics/data/data_representation.ipynb) next.\n",
+    "If you are looking for a specific topic, you can have a look in the [list of tutorials](README.md)."
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}
diff --git a/tutorials/tutorial_data/create_tutorial_data.py b/tutorials/tutorial_data/create_tutorial_data.py
new file mode 100644
index 00000000..fd602e63
--- /dev/null
+++ b/tutorials/tutorial_data/create_tutorial_data.py
@@ -0,0 +1,115 @@
+import os
+
+from qsprpred.data.sources.papyrus import Papyrus
+import argparse
+
+
+def SingleTaskTutorialData(data_dir: str | None = None):
+    """Creates a dataset that contains activity data on the adenosine A2A
+    receptor loaded from the Papyrus database using the built-in Papyrus wrapper.
+
+    Args:
+        data_dir: directory where the dataset will be saved, if None, the
+            tutorial_data directory will be used
+
+    Returns:
+        a `MolTable` instance with the loaded data
+    """
+    data_dir = os.path.dirname(__file__) if data_dir is None else data_dir
+    acc_keys = [
+        "P29274",  # A2A
+    ]  # Adenosine receptor A2A (https://www.uniprot.org/uniprotkb/P29274/entry)
+    dataset_name = "A2A_LIGANDS"  # name of the file to be generated
+    quality = "high"  # choose minimum quality from {"high", "medium", "low"}
+    papyrus_version = "05.6"  # Papyrus database version
+
+    papyrus = Papyrus(
+        data_dir=data_dir,
+        stereo=False,
+        version=papyrus_version,
+        plus_only=True,
+    )
+
+    dataset = papyrus.getData(
+        dataset_name, acc_keys, quality, use_existing=True, overwrite=True
+    )
+
+    print(f"Number of samples loaded: {len(dataset.getDF())}")
+
+    # Save the dataset as a .tsv file
+    df = dataset.getDF()
+    df = df[["SMILES", "pchembl_value_Mean", "Year"]]
+
+    df.to_csv(os.path.join(data_dir, "A2A_LIGANDS.tsv"), index=False, sep="\t")
+
+    return dataset
+
+
+def MultiTaskTutorialData(data_dir: str | None = None):
+    """Creates a dataset that contains activity data on the adenosine
+    receptors (A1, A2A, A2B and A3) loaded from the Papyrus database using
+    the built-in Papyrus wrapper.
+
+    Args:
+        data_dir: directory where the dataset will be saved, if None, the
+            tutorial_data directory will be used
+
+    Returns:
+        a `MolTable` instance with the loaded data
+    """
+    data_dir = os.path.dirname(__file__) if data_dir is None else data_dir
+    acc_keys = [
+        "P30542",  # A1
+        "P29274",  # A2A
+        "P29275",  # A2B
+        "P0DMS8",  # A3
+    ]  # Adenosine receptor A2A (https://www.uniprot.org/uniprotkb/P29274/entry)
+    dataset_name = "AR_LIGANDS"  # name of the file to be generated
+    quality = "high"  # choose minimum quality from {"high", "medium", "low"}
+    papyrus_version = "05.6"  # Papyrus database version
+
+    papyrus = Papyrus(
+        data_dir=data_dir,
+        stereo=False,
+        version=papyrus_version,
+        plus_only=True,
+    )
+
+    dataset = papyrus.getData(
+        dataset_name, acc_keys, quality, use_existing=True, overwrite=True
+    )
+
+    print(f"Number of samples loaded: {len(dataset.getDF())}")
+
+    # Save the dataset as a .tsv file
+    df = dataset.getDF()
+    df = df[["SMILES", "pchembl_value_Mean", "accession"]]
+
+    df.to_csv(os.path.join(data_dir, "AR_LIGANDS.tsv"), index=False, sep="\t")
+
+    return dataset
+
+def prepare_multitask(file_path: str):
+    import pandas as pd
+    df = pd.read_csv(file_path, sep="\t")
+    df = df.pivot(index="SMILES", columns="accession", values="pchembl_value_Mean")
+    df.columns.name = None
+    df.reset_index(inplace=True)
+    df.to_csv(f"{file_path.split('.')[0]}_pivot.tsv", sep="\t", index=False)
+
+
+if __name__ == "__main__":
+    parser = argparse.ArgumentParser(description="Create tutorial data")
+    parser.add_argument(
+        "-p",
+        "--pivot",
+        type=str,
+        help="Pivot AR_ligands dataset, provide the file path")
+
+    args = parser.parse_args()
+
+    if args.pivot is not None:
+        prepare_multitask(args.pivot)
+    else:
+        SingleTaskTutorialData()
+        MultiTaskTutorialData()